G4LYM0_SCHMA Loading...

Splicing factor 3B subunit 6

AlphaFold DB , UniProt , Accession G4LYM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 123 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
1M46.6Very low55.5Low237 Ų237149 Ų149100%1.16779%0.785SS**  086.10-72.6-88.9-150.900108.5L3M1-L3 PolarHBondContact O-N 3.24Å
2A43.6Very low58.2Low105 Ų105141.1 Ų141.187%0.86875%0.749SS**  trans-78.9102.3174.300000107.8G4A2-G4 PolarHBondContact O-N 2.92Å
3L52.1Low60.5Low169 Ų169140.4 Ų140.489%0.88576%0.757SS**  trans-62101.8169.8-86.1130.1000107.6M1 R5M1-L3 PolarHBondContact O-N 3.24Å; L3-R5 PolarHBondContact O-N 3.09Å; L3-R5 VanDerWaalsContact O-N 3.09Å
4G45.7Very low62.4Low63 Ų63137.4 Ų137.465%0.64974%0.736SS**  trans-50118.5172.400000108.6A2 K6A2-G4 PolarHBondContact O-N 2.92Å; G4-K6 VanDerWaalsContact C-N 3.31Å; G4-K6 PolarHBondContact O-N 2.81Å
5R46.4Very low64.4Low242 Ų242129.2 Ų129.291%0.91369%0.693SS**  trans-47.9103.2164.7-81.4173.2159.1161-5.4106.3L3 N7L3-R5 PolarHBondContact O-N 3.09Å; L3-R5 VanDerWaalsContact O-N 3.09Å; R5-N7 PolarHBondContact O-N 2.85Å
6K47.4Very low66.2Low198 Ų198124.4 Ų124.486%0.86167%0.667SS**  trans-46.4116.9169.2-67.3178.7177.2179.80105.1G4 A8G4-K6 VanDerWaalsContact C-N 3.31Å; G4-K6 PolarHBondContact O-N 2.81Å; K6-A8 PolarHBondContact O-N 2.98Å
7N42.7Very low68Low150 Ų150123.5 Ų123.580%0.80265%0.652SS**  trans-37.6110.8174-82.6-19.2000106.9R5 T9R5-N7 PolarHBondContact O-N 2.85Å; N7-T9 VanDerWaalsContact C-N 3.26Å; N7-T9 PolarHBondContact O-N 2.72Å
8A56.8Low69.6Low85 Ų85119.1 Ų119.170%0.70263%0.628SS**  trans-56.7104.4172.400000104.3K6 R10K6-A8 PolarHBondContact O-N 2.98Å; A8-R10 PolarHBondContact O-N 2.77Å
9T66.3Low71Confident106 Ų106112.8 Ų112.865%0.6560%0.595SS**  trans-62.692.2-179.3210000105.3N7 L11N7-T9 VanDerWaalsContact C-N 3.26Å; N7-T9 PolarHBondContact O-N 2.72Å; T9-L11 PolarHBondContact O-N 2.96Å
10R77.9Confident72.2Confident241 Ų241108.1 Ų108.191%0.90957%0.57SS**  trans-61.5110.9-178.2-76-174.1169.9-171-2.8106.3A8A8-R10 PolarHBondContact O-N 2.77Å
11L85.2Confident73.4Confident43 Ų43103 Ų10323%0.22554%0.543CS..  trans-66.6143.4176-69174.3000109T9 V15 I65 F66 K69T9-L11 PolarHBondContact O-N 2.96Å; L11-V15 HydrophobicContact CB-CB 4.18Å; L11-V15 HydrophobicContact CB-CG1 4.49Å; L11-V15 HydrophobicContact CB-CG2 4.3Å; L11-V15 HydrophobicContact CD1-CG1 4.11Å; L11-I65 HydrophobicContact CD1-CB 4.23Å; L11-I65 HydrophobicContact CD1-CD1 3.91Å; L11-I65 HydrophobicContact CD1-CG1 3.77Å; L11-I65 HydrophobicContact CD1-CG2 3.58Å; L11-F66 HydrophobicContact CD1-CD1 3.79Å; L11-F66 HydrophobicContact CD1-CE1 3.61Å; L11-F66 HydrophobicContact CD1-CG 4.48Å; L11-F66 HydrophobicContact CD1-CZ 4.17Å; L11-F66 HydrophobicContact CD2-CD1 4.02Å; L11-F66 HydrophobicContact CD2-CE1 3.94Å; L11-F66 HydrophobicContact CG-CD1 4.17Å; L11-F66 HydrophobicContact CG-CE1 3.73Å; L11-F66 HydrophobicContact CG-CZ 4.49Å; L11-K69 HydrophobicContact CD2-CD 3.51Å
12P88.3Confident75.7Confident54 Ų5495.9 Ų95.935%0.35151%0.506SS..  trans-52.4145.3171.5-24.832.2000111.2E14 V15P12-E14 HydrophobicContact CB-CG 4.11Å; P12-E14 WeakPolarHBondContact CB-OE1 3.15Å; P12-E14 WeakPolarHBondContact CB-OE2 3.33Å; P12-E14 PolarHBondContact O-N 2.74Å; P12-E14 VanDerWaalsContact O-N 3.08Å; P12-V15 HydrophobicContact CB-CG2 4.14Å; P12-V15 HydrophobicContact CG-CG2 4.22Å; P12-V15 WeakPolarHBondContact O-CB 3.41Å; P12-V15 WeakPolarHBondContact O-CG2 3.5Å; P12-V15 PolarHBondContact O-N 2.89Å
13P87.5Confident78.1Confident132 Ų13293.9 Ų93.986%0.85748%0.48SS*.THydrogen-bonded Turntrans-62.4-19-175.426.7-35.7000113.6V15P13-V15 VanDerWaalsContact C-N 3.33Å
14E87.2Confident80.1Confident98 Ų9886 Ų8646%0.45844%0.439SS..THydrogen-bonded Turntrans-74.6-18.9174.363.5-91.1-154.300114.2P12 N16 Y89P12-E14 HydrophobicContact CB-CG 4.11Å; P12-E14 WeakPolarHBondContact CB-OE1 3.15Å; P12-E14 WeakPolarHBondContact CB-OE2 3.33Å; P12-E14 PolarHBondContact O-N 2.74Å; P12-E14 VanDerWaalsContact O-N 3.08Å; E14-N16 PolarHBondContact O-N 3.28Å; E14-Y89 WeakPolarHBondContact O-CB 3.47Å
15V92.3Very high82.4Confident15 Ų1583.2 Ų83.29%0.09141%0.41CS..  trans-70.1131.9-177.6-177.70000109.6L11 P12 P13 I65 K69 Y89L11-V15 HydrophobicContact CB-CB 4.18Å; L11-V15 HydrophobicContact CB-CG1 4.49Å; L11-V15 HydrophobicContact CB-CG2 4.3Å; L11-V15 HydrophobicContact CD1-CG1 4.11Å; P12-V15 HydrophobicContact CB-CG2 4.14Å; P12-V15 HydrophobicContact CG-CG2 4.22Å; P12-V15 WeakPolarHBondContact O-CB 3.41Å; P12-V15 WeakPolarHBondContact O-CG2 3.5Å; P12-V15 PolarHBondContact O-N 2.89Å; P13-V15 VanDerWaalsContact C-N 3.33Å; V15-I65 HydrophobicContact CG1-CD1 4.14Å; V15-I65 HydrophobicContact CG1-CG1 3.77Å; V15-K69 HydrophobicContact CG1-CB 4.05Å; V15-Y89 HydrophobicContact CB-CE1 4.26Å; V15-Y89 HydrophobicContact CG1-CD1 4.34Å; V15-Y89 HydrophobicContact CG1-CE1 3.71Å; V15-Y89 HydrophobicContact CG2-CE1 4.42Å; V15-Y89 HydrophobicContact CG2-CE2 4.14Å
16N93.7Very high84.5Confident52 Ų5278.5 Ų78.528%0.27839%0.393SS..  trans-138.3149.5-178.3-160.5-32.2000109.7E14 I18 A68 Y89 Y90E14-N16 PolarHBondContact O-N 3.28Å; N16-I18 PolarHBondContact O-N 2.97Å; N16-I18 PolarHBondContact OD1-N 2.66Å; N16-A68 WeakPolarHBondContact O-CB 3.42Å; N16-Y89 HydrophobicContact CB-CD1 4.5Å; N16-Y90 PolarHBondContact ND2-O 3.08Å
17R95.8Very high86.6Confident109 Ų10975.2 Ų75.241%0.41139%0.385SS..SBendtrans-63.8-21.9171.5-72.2-171-72.2177.7-3.9113.3Y62 E63 I65R17-Y62 PolarHBondContact O-N 3.4Å; R17-E63 WeakPolarHBondContact CD-O 3.2Å; R17-E63 PolarHBondContact NH1-O 2.77Å; R17-I65 HydrophobicContact CG-CB 3.7Å; R17-I65 HydrophobicContact CG-CG1 4.13Å
18I96.9Very high88.9Confident44 Ų4469 Ų6923%0.22635%0.352CS..EExtended strand (participates in β ladder)trans-97.4122.7-179.9-51.4172.8000108.3N16 L59 V60 I61 Y90N16-I18 PolarHBondContact O-N 2.97Å; N16-I18 PolarHBondContact OD1-N 2.66Å; I18-L59 HydrophobicContact CG2-CD2 4.28Å; I18-V60 CarbonylContact C-O 3.59Å; I18-V60 WeakPolarHBondContact CA-O 3.21Å; I18-I61 HydrophobicContact CG1-CG1 4.17Å; I18-I61 HydrophobicContact CG1-CG2 4.19Å; I18-I61 HydrophobicContact CG2-CG1 4.22Å; I18-Y90 HydrophobicContact CB-CD1 4.46Å; I18-Y90 HydrophobicContact CB-CG 4.2Å; I18-Y90 HydrophobicContact CD1-CD1 4.34Å; I18-Y90 HydrophobicContact CG2-CD1 4.33Å; I18-Y90 HydrophobicContact CG2-CD2 4.23Å; I18-Y90 HydrophobicContact CG2-CG 3.79Å; I18-Y90 WeakPolarHBondContact O-CB 3.36Å; I18-Y90 PolarHBondContact O-N 3.21Å
19L96.8Very high90.6Very high0 Ų067.1 Ų67.10%033%0.333CS..EExtended strand (participates in β ladder)trans-103.6135.5171.9-56-174.9000110.2L59 V60 Y62 A68 A71 C72 V87 L88 Y89L19-L59 CarbonylContact O-C 3.52Å; L19-L59 WeakPolarHBondContact O-CA 3.37Å; L19-V60 PolarHBondContact N-O 2.94Å; L19-V60 PolarHBondContact O-N 3.28Å; L19-Y62 HydrophobicContact CD1-CD2 4.35Å; L19-Y62 HydrophobicContact CD1-CE2 3.75Å; L19-Y62 HydrophobicContact CG-CD2 4.49Å; L19-Y62 HydrophobicContact CG-CE2 4.31Å; L19-A68 WeakPolarHBondContact CD1-O 3.2Å; L19-A68 HydrophobicContact CD2-CB 4.3Å; L19-A68 HydrophobicContact CG-CB 4.38Å; L19-A71 HydrophobicContact CD1-CB 3.9Å; L19-C72 HydrophobicContact CD1-CB 4.21Å; L19-C72 HydrophobicContact CD2-CB 3.98Å; L19-V87 HydrophobicContact CB-CG1 4.12Å; L19-V87 HydrophobicContact CD1-CG1 3.77Å; L19-V87 HydrophobicContact CG-CG1 4.41Å; L19-L88 CarbonylContact C-O 3.48Å; L19-L88 WeakPolarHBondContact CA-O 3.36Å; L19-Y89 HydrophobicContact CD2-CD1 3.5Å; L19-Y89 HydrophobicContact CD2-CE1 3.76Å; L19-Y89 HydrophobicContact CD2-CG 4.44Å
20L95.7Very high91.8Very high19 Ų1964.8 Ų64.810%0.09933%0.325CS..EExtended strand (participates in β ladder)trans-94.6114.2167176.165.2000108.7K22 L59 L88L20-K22 HydrophobicContact CG-CG 4.25Å; L20-L59 HydrophobicContact CB-CD2 4.22Å; L20-L59 HydrophobicContact CD1-CD2 3.77Å; L20-L88 PolarHBondContact N-O 2.73Å; L20-L88 PolarHBondContact O-N 2.84Å
21V95.9Very high92.5Very high0 Ų060.7 Ų60.70%032%0.316CS..EExtended strand (participates in β ladder)trans-98.3133.5175.1-169.40000108.2L24 F37 T57 A58 V60 L85 V86 V87V21-L24 HydrophobicContact CB-CD1 3.83Å; V21-L24 HydrophobicContact CG1-CD1 3.56Å; V21-L24 HydrophobicContact CG1-CD2 4.22Å; V21-L24 HydrophobicContact CG1-CG 3.69Å; V21-F37 HydrophobicContact CB-CZ 4.32Å; V21-F37 HydrophobicContact CG1-CZ 3.98Å; V21-F37 HydrophobicContact CG2-CE1 3.69Å; V21-F37 HydrophobicContact CG2-CE2 4.33Å; V21-F37 HydrophobicContact CG2-CZ 3.41Å; V21-F37 VanDerWaalsContact CG2-CZ 3.41Å; V21-T57 CarbonylContact O-C 3.54Å; V21-T57 WeakPolarHBondContact O-CA 3.48Å; V21-T57 WeakPolarHBondContact O-CB 3.46Å; V21-A58 HydrophobicContact CB-CB 4.43Å; V21-A58 PolarHBondContact N-O 3.36Å; V21-A58 PolarHBondContact O-N 2.97Å; V21-V60 HydrophobicContact CG2-CG2 3.85Å; V21-L85 HydrophobicContact CG1-CD1 4.44Å; V21-L85 HydrophobicContact CG1-CD2 4.41Å; V21-V86 CarbonylContact C-O 3.59Å; V21-V86 WeakPolarHBondContact CA-O 3.46Å; V21-V87 HydrophobicContact CG1-CG2 4.43Å
22K94.8Very high92.9Very high89 Ų8962.3 Ų62.339%0.38732%0.322SS..EExtended strand (participates in β ladder)trans-127.8165174.8-56.9-179.7176-178.60110.2L20 L24 G56 T57 V86 L88L20-K22 HydrophobicContact CG-CG 4.25Å; K22-L24 PolarHBondContact O-N 3.04Å; K22-G56 CarbonylContact C-O 3.56Å; K22-T57 HydrophobicContact CG-CG2 4.18Å; K22-V86 HydrophobicContact CB-CB 4.16Å; K22-V86 PolarHBondContact N-O 3.45Å; K22-V86 PolarHBondContact O-N 3.22Å; K22-L88 HydrophobicContact CD-CD1 4.49Å
23N95.2Very high93.2Very high62 Ų6259.8 Ų59.833%0.33231%0.306SS..SBendtrans64.825.5-178.8-160.134.6000113.7G56 R83 Y84N23-G56 PolarHBondContact N-O 3.28Å; N23-G56 VanDerWaalsContact N-O 3.08Å; N23-R83 PolarHBondContact O-NE 2.79Å; N23-R83 PolarHBondContact OD1-NE 3.37Å; N23-R83 PolarHBondContact OD1-NH2 3.39Å; N23-Y84 PolarHBondContact ND2-O 3.44Å
24L94.5Very high93.6Very high3 Ų358.6 Ų58.62%0.01629%0.285CS..  trans-65.2144.3175-85.2154.7000111.2V21 K22 I28 M33 G56 A58 L85V21-L24 HydrophobicContact CB-CD1 3.83Å; V21-L24 HydrophobicContact CG1-CD1 3.56Å; V21-L24 HydrophobicContact CG1-CD2 4.22Å; V21-L24 HydrophobicContact CG1-CG 3.69Å; K22-L24 PolarHBondContact O-N 3.04Å; L24-I28 HydrophobicContact CD2-CD1 3.66Å; L24-I28 HydrophobicContact CD2-CG2 4.21Å; L24-M33 HydrophobicContact CD1-CE 4Å; L24-M33 HydrophobicContact CD1-SD 4.27Å; L24-M33 HydrophobicContact CD2-CE 4.3Å; L24-M33 HydrophobicContact CD2-SD 3.54Å; L24-M33 VanDerWaalsContact CD2-SD 3.54Å; L24-G56 PolarHBondContact N-O 2.97Å; L24-A58 HydrophobicContact CD1-CB 3.42Å; L24-A58 VanDerWaalsContact CD1-CB 3.42Å; L24-L85 HydrophobicContact CD2-CD2 3.75Å; L24-L85 HydrophobicContact CG-CD2 3.95Å
25P92.9Very high94Very high6 Ų660 Ų604%0.03930%0.295CS..  trans-55139.2166.3-2031.2000110.8N27 I28 V80 C81P25-N27 WeakPolarHBondContact CB-OD1 3.14Å; P25-N27 PolarHBondContact O-N 3.02Å; P25-I28 HydrophobicContact CB-CB 4.39Å; P25-I28 WeakPolarHBondContact O-CG2 3.35Å; P25-I28 PolarHBondContact O-N 2.86Å; P25-V80 HydrophobicContact CG-CB 4.18Å; P25-V80 HydrophobicContact CG-CG1 3.87Å; P25-C81 HydrophobicContact CB-CB 4.34Å; P25-C81 HydrophobicContact CG-CB 3.97Å
26Y91.3Very high94.1Very high143 Ų14360.7 Ų60.756%0.56130%0.298SS*.THydrogen-bonded Turntrans-72.1-15.7-177-67.8-15.4000114.1K55Y26-K55 HydrophobicContact CD1-CD 4.41Å; Y26-K55 HydrophobicContact CD1-CG 3.88Å; Y26-K55 HydrophobicContact CE1-CG 4.12Å; Y26-K55 HydrophobicContact CG-CD 4.33Å; Y26-K55 HydrophobicContact CG-CG 4.26Å
27N90.6Very high94.2Very high128 Ų12858.2 Ų58.268%0.68429%0.285SS*.THydrogen-bonded Turntrans-107.211.7-179.163.4-34.5000112.7P25 S29P25-N27 WeakPolarHBondContact CB-OD1 3.14Å; P25-N27 PolarHBondContact O-N 3.02Å; N27-S29 PolarHBondContact O-N 3.2Å
28I91.5Very high94.2Very high21 Ų2154.6 Ų54.611%0.10828%0.282CS..  trans-65.7133-179.7-162.8162.7000110.8L24 P25 E32 M33 I36 V80L24-I28 HydrophobicContact CD2-CD1 3.66Å; L24-I28 HydrophobicContact CD2-CG2 4.21Å; P25-I28 HydrophobicContact CB-CB 4.39Å; P25-I28 WeakPolarHBondContact O-CG2 3.35Å; P25-I28 PolarHBondContact O-N 2.86Å; I28-E32 HydrophobicContact CD1-CB 4.45Å; I28-E32 HydrophobicContact CG1-CB 3.97Å; I28-M33 HydrophobicContact CD1-CG 4.06Å; I28-M33 HydrophobicContact CD1-SD 3.7Å; I28-M33 HydrophobicContact CG1-CG 4.14Å; I28-M33 HydrophobicContact CG1-SD 4.38Å; I28-M33 HydrophobicContact CG2-CG 4.36Å; I28-M33 HydrophobicContact CG2-SD 4.44Å; I28-I36 HydrophobicContact CD1-CD1 4.33Å; I28-V80 HydrophobicContact CD1-CG1 4.11Å
29S92.2Very high94.2Very high44 Ų4461 Ų6131%0.30831%0.308SS..  trans-81160.4177.567.60000111.8N27 E31 E32 M33N27-S29 PolarHBondContact O-N 3.2Å; S29-E31 VanDerWaalsContact C-N 3.28Å; S29-E31 PolarHBondContact O-N 3.48Å; S29-E32 WeakPolarHBondContact CB-OE2 3.44Å; S29-E32 PolarHBondContact N-OE2 3.38Å; S29-E32 WeakPolarHBondContact OG-CB 3.31Å; S29-E32 WeakPolarHBondContact OG-CG 3.17Å; S29-E32 PolarHBondContact OG-N 2.93Å; S29-E32 VanDerWaalsContact OG-N 3.15Å; S29-E32 PolarHBondContact OG-OE2 3.38Å; S29-M33 WeakPolarHBondContact O-CG 3.49Å; S29-M33 PolarHBondContact O-N 3.29Å
30A90.4Very high94.2Very high58 Ų5863 Ų6348%0.47932%0.316SS..Hα-helixtrans-63.4-37.6173.300000111.4M33 Y34A30-M33 WeakPolarHBondContact O-CB 3.29Å; A30-M33 PolarHBondContact O-N 2.78Å; A30-Y34 VanDerWaalsContact O-CD2 3.22Å; A30-Y34 WeakPolarHBondContact O-CD2 3.17Å; A30-Y34 PolarHBondContact O-N 3Å
31E93.8Very high94.2Very high155 Ų15563 Ų6372%0.72432%0.321SS*.Hα-helixtrans-62.5-48.7179.1-64.4-178152.500111.4S29 M33 Y34 D35S29-E31 VanDerWaalsContact C-N 3.28Å; S29-E31 PolarHBondContact O-N 3.48Å; E31-M33 PolarHBondContact O-N 3Å; E31-Y34 CarbonylContact O-C 3.52Å; E31-Y34 WeakPolarHBondContact O-CA 3.13Å; E31-Y34 PolarHBondContact O-N 3.12Å; E31-D35 PolarHBondContact O-N 3.23Å
32E93.8Very high94.2Very high77 Ų7765.9 Ų65.936%0.3634%0.344SS..Hα-helixtrans-58.3-37175.5-72.8167.9117.800112.3I28 S29 D35 I36I28-E32 HydrophobicContact CD1-CB 4.45Å; I28-E32 HydrophobicContact CG1-CB 3.97Å; S29-E32 WeakPolarHBondContact CB-OE2 3.44Å; S29-E32 PolarHBondContact N-OE2 3.38Å; S29-E32 WeakPolarHBondContact OG-CB 3.31Å; S29-E32 WeakPolarHBondContact OG-CG 3.17Å; S29-E32 PolarHBondContact OG-N 2.93Å; S29-E32 VanDerWaalsContact OG-N 3.15Å; S29-E32 PolarHBondContact OG-OE2 3.38Å; E32-D35 PolarHBondContact O-N 2.79Å; E32-I36 WeakPolarHBondContact O-CB 3.38Å; E32-I36 WeakPolarHBondContact O-CD1 3.46Å; E32-I36 WeakPolarHBondContact O-CG1 3.39Å; E32-I36 PolarHBondContact O-N 3.36Å
33M94.4Very high94.4Very high0 Ų063 Ų630%033%0.332CS..Hα-helixtrans-64.4-41.8174.8-72.1-72.6-73.400111.5L24 I28 S29 A30 E31 F37 I46 I48 A58 V60L24-M33 HydrophobicContact CD1-CE 4Å; L24-M33 HydrophobicContact CD1-SD 4.27Å; L24-M33 HydrophobicContact CD2-CE 4.3Å; L24-M33 HydrophobicContact CD2-SD 3.54Å; L24-M33 VanDerWaalsContact CD2-SD 3.54Å; I28-M33 HydrophobicContact CD1-CG 4.06Å; I28-M33 HydrophobicContact CD1-SD 3.7Å; I28-M33 HydrophobicContact CG1-CG 4.14Å; I28-M33 HydrophobicContact CG1-SD 4.38Å; I28-M33 HydrophobicContact CG2-CG 4.36Å; I28-M33 HydrophobicContact CG2-SD 4.44Å; S29-M33 WeakPolarHBondContact O-CG 3.49Å; S29-M33 PolarHBondContact O-N 3.29Å; A30-M33 WeakPolarHBondContact O-CB 3.29Å; A30-M33 PolarHBondContact O-N 2.78Å; E31-M33 PolarHBondContact O-N 3Å; M33-F37 HydrophobicContact CE-CD2 4.06Å; M33-F37 HydrophobicContact CE-CE2 3.66Å; M33-F37 HydrophobicContact CE-CZ 4.49Å; M33-F37 WeakPolarHBondContact O-CB 3.36Å; M33-F37 VanDerWaalsContact O-CD2 3.28Å; M33-F37 WeakPolarHBondContact O-CD2 3.41Å; M33-F37 PolarHBondContact O-N 3.14Å; M33-F37 HydrophobicContact SD-CD2 4.16Å; M33-F37 HydrophobicContact SD-CE2 3.73Å; M33-I46 HydrophobicContact CB-CD1 3.73Å; M33-I46 HydrophobicContact CB-CG2 4.45Å; M33-I46 HydrophobicContact CE-CG2 3.77Å; M33-I48 HydrophobicContact CG-CD1 4.41Å; M33-A58 HydrophobicContact CE-CB 3.64Å; M33-V60 HydrophobicContact CE-CG2 4.03Å
34Y95.8Very high94.4Very high108 Ų10865.9 Ų65.942%0.42434%0.339SS..Hα-helixtrans-67.8-35.8175.2-82.2-78.2000112.3A30 E31 G38 I43 I46A30-Y34 VanDerWaalsContact O-CD2 3.22Å; A30-Y34 WeakPolarHBondContact O-CD2 3.17Å; A30-Y34 PolarHBondContact O-N 3Å; E31-Y34 CarbonylContact O-C 3.52Å; E31-Y34 WeakPolarHBondContact O-CA 3.13Å; E31-Y34 PolarHBondContact O-N 3.12Å; Y34-G38 WeakPolarHBondContact O-CA 3.38Å; Y34-G38 PolarHBondContact O-N 2.81Å; Y34-I43 HydrophobicContact CD1-CB 4.18Å; Y34-I43 HydrophobicContact CD1-CD1 3.86Å; Y34-I43 HydrophobicContact CD1-CG2 4.29Å; Y34-I43 HydrophobicContact CE1-CB 3.85Å; Y34-I43 HydrophobicContact CE1-CD1 4.25Å; Y34-I43 HydrophobicContact CE1-CG2 3.64Å; Y34-I46 HydrophobicContact CD1-CD1 4.11Å; Y34-I46 HydrophobicContact CD2-CD1 4.06Å; Y34-I46 HydrophobicContact CE1-CD1 4.11Å; Y34-I46 HydrophobicContact CE1-CG1 4.22Å; Y34-I46 HydrophobicContact CE2-CD1 4.06Å; Y34-I46 HydrophobicContact CE2-CG1 4.33Å; Y34-I46 HydrophobicContact CG-CD1 4.07Å
35D94.9Very high94.5Very high127 Ų12769.3 Ų69.368%0.67935%0.354SS*.Hα-helixtrans-66.5-44.4177.1-74.4-19.5000112.2E31 E32E31-D35 PolarHBondContact O-N 3.23Å; E32-D35 PolarHBondContact O-N 2.79Å
36I94.8Very high94.7Very high29 Ų2970.2 Ų70.215%0.14936%0.359CS..Hα-helixtrans-69.7-51.1-178.3-65.8164.3000110.9I28 E32 Y40 L75 F78 V80I28-I36 HydrophobicContact CD1-CD1 4.33Å; E32-I36 WeakPolarHBondContact O-CB 3.38Å; E32-I36 WeakPolarHBondContact O-CD1 3.46Å; E32-I36 WeakPolarHBondContact O-CG1 3.39Å; E32-I36 PolarHBondContact O-N 3.36Å; I36-Y40 WeakPolarHBondContact O-CE2 3.41Å; I36-L75 HydrophobicContact CG2-CD1 4.19Å; I36-L75 HydrophobicContact CG2-CD2 3.69Å; I36-F78 HydrophobicContact CD1-CE1 4.38Å; I36-F78 HydrophobicContact CG1-CE1 4.27Å; I36-F78 HydrophobicContact CG2-CD1 4.14Å; I36-F78 HydrophobicContact CG2-CE1 4.02Å; I36-V80 HydrophobicContact CD1-CG1 4.26Å; I36-V80 HydrophobicContact CD1-CG2 3.88Å
37F96.4Very high94.8Very high0 Ų070.1 Ų70.10%036%0.357CS..Hα-helixtrans-83.3-31.9-174.2-70.8-86.4000111.9V21 M33 K39 Y40 I43 V60 Y62 L75 L85V21-F37 HydrophobicContact CB-CZ 4.32Å; V21-F37 HydrophobicContact CG1-CZ 3.98Å; V21-F37 HydrophobicContact CG2-CE1 3.69Å; V21-F37 HydrophobicContact CG2-CE2 4.33Å; V21-F37 HydrophobicContact CG2-CZ 3.41Å; V21-F37 VanDerWaalsContact CG2-CZ 3.41Å; M33-F37 HydrophobicContact CE-CD2 4.06Å; M33-F37 HydrophobicContact CE-CE2 3.66Å; M33-F37 HydrophobicContact CE-CZ 4.49Å; M33-F37 WeakPolarHBondContact O-CB 3.36Å; M33-F37 VanDerWaalsContact O-CD2 3.28Å; M33-F37 WeakPolarHBondContact O-CD2 3.41Å; M33-F37 PolarHBondContact O-N 3.14Å; M33-F37 HydrophobicContact SD-CD2 4.16Å; M33-F37 HydrophobicContact SD-CE2 3.73Å; F37-K39 PolarHBondContact O-N 3.14Å; F37-Y40 PolarHBondContact O-N 3Å; F37-I43 HydrophobicContact CB-CD1 3.53Å; F37-V60 HydrophobicContact CB-CG1 4.04Å; F37-V60 HydrophobicContact CD1-CB 4.25Å; F37-V60 HydrophobicContact CD1-CG1 3.95Å; F37-V60 HydrophobicContact CD1-CG2 3.91Å; F37-V60 HydrophobicContact CD2-CG2 4.1Å; F37-V60 HydrophobicContact CE1-CG2 3.99Å; F37-V60 HydrophobicContact CE2-CG2 4.18Å; F37-V60 HydrophobicContact CG-CG1 4.04Å; F37-V60 HydrophobicContact CG-CG2 3.99Å; F37-V60 HydrophobicContact CZ-CG2 4.15Å; F37-Y62 WeakPolarHBondContact CA-OH 3.28Å; F37-Y62 WeakPolarHBondContact CB-OH 3.4Å; F37-Y62 WeakPolarHBondContact O-CE1 3.48Å; F37-Y62 PolarHBondContact O-OH 2.93Å; F37-L75 HydrophobicContact CD1-CD1 3.38Å; F37-L75 HydrophobicContact CE1-CD1 3.44Å; F37-L75 VanDerWaalsContact CE1-CD1 3.44Å; F37-L75 HydrophobicContact CG-CD1 4.06Å; F37-L75 HydrophobicContact CZ-CD1 4.16Å; F37-L85 HydrophobicContact CZ-CD1 4.42Å
38G96Very high95Very high33 Ų3367.8 Ų67.834%0.3434%0.344SS..Hα-helixtrans-66.5-20.7-176.900000113.6Y34 Y40 G41Y34-G38 WeakPolarHBondContact O-CA 3.38Å; Y34-G38 PolarHBondContact O-N 2.81Å; G38-Y40 PolarHBondContact O-N 3.18Å; G38-Y40 VanDerWaalsContact O-N 3.14Å; G38-G41 PolarHBondContact O-N 2.76Å
39K96Very high95Very high179 Ų17967.5 Ų67.578%0.77835%0.347SS*.THydrogen-bonded Turntrans-58.8-24.6174.7-170.5176.6-179.6179.90113.6F37F37-K39 PolarHBondContact O-N 3.14Å
40Y96.7Very high94.9Very high43 Ų4372.5 Ų72.517%0.16937%0.37CS..THydrogen-bonded Turntrans-96.8-12.4-175.5-61.6-85000113.9I36 F37 G38 D67 N70 A71 H74 L75I36-Y40 WeakPolarHBondContact O-CE2 3.41Å; F37-Y40 PolarHBondContact O-N 3Å; G38-Y40 PolarHBondContact O-N 3.18Å; G38-Y40 VanDerWaalsContact O-N 3.14Å; Y40-D67 WeakPolarHBondContact O-CB 3.44Å; Y40-N70 HydrophobicContact CD1-CB 4.48Å; Y40-A71 HydrophobicContact CD1-CB 4.35Å; Y40-A71 HydrophobicContact CD2-CB 4.01Å; Y40-A71 HydrophobicContact CG-CB 3.75Å; Y40-H74 HydrophobicContact CE1-CB 3.51Å; Y40-H74 AromaticContact CE1-CG 3.91Å; Y40-H74 WeakPolarHBondContact OH-CB 3.21Å; Y40-L75 HydrophobicContact CD2-CD1 3.85Å; Y40-L75 HydrophobicContact CD2-CG 4.22Å; Y40-L75 HydrophobicContact CE2-CD1 3.54Å; Y40-L75 HydrophobicContact CE2-CD2 3.64Å; Y40-L75 HydrophobicContact CE2-CG 3.45Å; Y40-L75 VanDerWaalsContact CE2-CG 3.45Å
41G96Very high95Very high19 Ų1972.4 Ų72.420%0.19636%0.364CS..SBendtrans157.5178-177.800000113.8G38 I43 D67G38-G41 PolarHBondContact O-N 2.76Å; G41-I43 PolarHBondContact O-N 2.8Å; G41-D67 VanDerWaalsContact CA-OD2 3.31Å; G41-D67 WeakPolarHBondContact CA-OD2 3.22Å
42A97Very high94.8Very high59 Ų5971.1 Ų71.149%0.48837%0.369SS..  trans-69.8123.9-178.700000111.2E63A42-E63 HydrophobicContact CB-CB 4.25Å; A42-E63 HydrophobicContact CB-CG 3.97Å; A42-E63 PolarHBondContact O-N 3.07Å
43I97.4Very high94.5Very high28 Ų2876.2 Ų76.214%0.14439%0.392CS..EExtended strand (participates in β ladder)trans-90123.3176.8-61.2-175.2000109.2Y34 F37 G41 I46 V60 Y62Y34-I43 HydrophobicContact CD1-CB 4.18Å; Y34-I43 HydrophobicContact CD1-CD1 3.86Å; Y34-I43 HydrophobicContact CD1-CG2 4.29Å; Y34-I43 HydrophobicContact CE1-CB 3.85Å; Y34-I43 HydrophobicContact CE1-CD1 4.25Å; Y34-I43 HydrophobicContact CE1-CG2 3.64Å; F37-I43 HydrophobicContact CB-CD1 3.53Å; G41-I43 PolarHBondContact O-N 2.8Å; I43-I46 HydrophobicContact CD1-CD1 3.85Å; I43-I46 HydrophobicContact CD1-CG1 4.34Å; I43-I46 HydrophobicContact CG2-CD1 4.22Å; I43-I46 HydrophobicContact CG2-CG1 3.63Å; I43-V60 HydrophobicContact CD1-CG1 4.37Å; I43-Y62 HydrophobicContact CG1-CD1 4.33Å; I43-Y62 HydrophobicContact CG1-CE1 4.05Å
44R97Very high94.3Very high124 Ų12478.5 Ų78.547%0.46841%0.407SS..EExtended strand (participates in β ladder)trans-74.8-47.1170.2178.6118.359.388.76.1111.3I61 E63R44-I61 HydrophobicContact CB-CB 4.44Å; R44-I61 HydrophobicContact CB-CG2 4.1Å; R44-I61 HydrophobicContact CG-CG2 4.5Å; R44-I61 PolarHBondContact N-O 2.85Å; R44-E63 HydrophobicContact CB-CG 4.26Å; R44-E63 WeakPolarHBondContact CD-OE1 3.36Å; R44-E63 WeakPolarHBondContact CD-OE2 3.34Å; R44-E63 IonicContact CZ-OE2 3.76Å; R44-E63 IonicContact NE-OE1 3.59Å; R44-E63 IonicContact NE-OE2 2.77Å; R44-E63 PolarHBondContact NE-OE2 2.86Å; R44-E63 IonicContact NH2-OE2 3.96Å
45Q96.4Very high94.1Very high74 Ų7478.8 Ų78.835%0.34641%0.41SS..EExtended strand (participates in β ladder)trans-161.2143.4-177.1-168.2175.629.400111.9R47 I61Q45-R47 HydrophobicContact CG-CG 4.19Å; Q45-I61 HydrophobicContact CB-CB 4.39Å; Q45-I61 HydrophobicContact CB-CD1 4.23Å; Q45-I61 PolarHBondContact N-O 3.2Å; Q45-I61 WeakPolarHBondContact O-CB 3.22Å; Q45-I61 PolarHBondContact O-N 2.9Å
46I96.3Very high94Very high25 Ų2573.1 Ų73.113%0.12838%0.381CS..EExtended strand (participates in β ladder)trans-113.8133165.3-50.8-173.7000108.9M33 Y34 I43 I48 L59 V60M33-I46 HydrophobicContact CB-CD1 3.73Å; M33-I46 HydrophobicContact CB-CG2 4.45Å; M33-I46 HydrophobicContact CE-CG2 3.77Å; Y34-I46 HydrophobicContact CD1-CD1 4.11Å; Y34-I46 HydrophobicContact CD2-CD1 4.06Å; Y34-I46 HydrophobicContact CE1-CD1 4.11Å; Y34-I46 HydrophobicContact CE1-CG1 4.22Å; Y34-I46 HydrophobicContact CE2-CD1 4.06Å; Y34-I46 HydrophobicContact CE2-CG1 4.33Å; Y34-I46 HydrophobicContact CG-CD1 4.07Å; I43-I46 HydrophobicContact CD1-CD1 3.85Å; I43-I46 HydrophobicContact CD1-CG1 4.34Å; I43-I46 HydrophobicContact CG2-CD1 4.22Å; I43-I46 HydrophobicContact CG2-CG1 3.63Å; I46-I48 HydrophobicContact CG2-CG1 4.25Å; I46-L59 CarbonylContact C-O 3.58Å; I46-L59 WeakPolarHBondContact CA-O 3.43Å; I46-V60 HydrophobicContact CG1-CG1 4.48Å; I46-V60 HydrophobicContact CG2-CG2 4.26Å
47R94.3Very high94.1Very high141 Ų14173.5 Ų73.553%0.53239%0.385SS..EExtended strand (participates in β ladder)trans-122.3112.1173.6-59.3-176.5-179.1-142.4-2.5109.5Q45 A58 L59Q45-R47 HydrophobicContact CG-CG 4.19Å; R47-A58 CarbonylContact O-C 3.57Å; R47-A58 WeakPolarHBondContact O-CA 3.49Å; R47-L59 HydrophobicContact CB-CB 4.32Å; R47-L59 PolarHBondContact N-O 2.88Å; R47-L59 PolarHBondContact O-N 3.24Å
48I93.9Very high94Very high79 Ų7973.6 Ų73.641%0.40539%0.386SS..EExtended strand (participates in β ladder)trans-89.8134.8178.3-57.8170.3000108.7M33 I46 N50 A58M33-I48 HydrophobicContact CG-CD1 4.41Å; I46-I48 HydrophobicContact CG2-CG1 4.25Å; I48-N50 PolarHBondContact O-N 3.06Å; I48-A58 HydrophobicContact CG1-CB 4.36Å
49G92Very high94Very high16 Ų1674.1 Ų74.117%0.16538%0.381CS..  trans-66.2122.4175.800000111.1T54 T57G49-T54 WeakPolarHBondContact CA-OG1 3.09Å; G49-T57 PolarHBondContact N-O 3.37Å
50N90.4Very high94.1Very high149 Ų14965.6 Ų65.680%0.79734%0.343SS*.  trans-109.6-7.8-175.364.6-10.8000113.6I48 T54I48-N50 PolarHBondContact O-N 3.06Å; N50-T54 PolarHBondContact N-OG1 3.16Å
51T91Very high94.1Very high56 Ų5664.7 Ų64.734%0.34434%0.342SS..SBendtrans-88.6156.5176.669.80000110.6E53 T54 K55T51-E53 PolarHBondContact O-N 2.73Å; T51-E53 VanDerWaalsContact O-N 3.08Å; T51-T54 PolarHBondContact N-OG1 3.49Å; T51-T54 VanDerWaalsContact N-OG1 3.16Å; T51-T54 CarbonylContact O-C 3.59Å; T51-T54 PolarHBondContact O-N 2.85Å; T51-T54 PolarHBondContact O-OG1 3.41Å; T51-T54 WeakPolarHBondContact OG1-CG2 3.39Å; T51-T54 PolarHBondContact OG1-N 3.45Å; T51-T54 PolarHBondContact OG1-OG1 2.81Å; T51-K55 WeakPolarHBondContact O-CB 3.49Å; T51-K55 PolarHBondContact O-N 3.04Å
52P90.1Very high94.2Very high128 Ų12863.8 Ų63.883%0.83133%0.332SS*.THydrogen-bonded Turntrans-53-32.6175.6-26.734.8000113.5
53E88Confident94.2Very high183 Ų18365.3 Ų65.386%0.85533%0.329SS*.THydrogen-bonded Turntrans-78.7-24.2-179.8-57.5176.6157.500113.7T51T51-E53 PolarHBondContact O-N 2.73Å; T51-E53 VanDerWaalsContact O-N 3.08Å
54T90.2Very high94.1Very high49 Ų4967.1 Ų67.130%0.30134%0.339SS..THydrogen-bonded Turntrans-110.9-5.6-175.759.90000113.1G49 N50 T51 G56 T57G49-T54 WeakPolarHBondContact CA-OG1 3.09Å; N50-T54 PolarHBondContact N-OG1 3.16Å; T51-T54 PolarHBondContact N-OG1 3.49Å; T51-T54 VanDerWaalsContact N-OG1 3.16Å; T51-T54 CarbonylContact O-C 3.59Å; T51-T54 PolarHBondContact O-N 2.85Å; T51-T54 PolarHBondContact O-OG1 3.41Å; T51-T54 WeakPolarHBondContact OG1-CG2 3.39Å; T51-T54 PolarHBondContact OG1-N 3.45Å; T51-T54 PolarHBondContact OG1-OG1 2.81Å; T54-G56 PolarHBondContact O-N 3.4Å; T54-T57 WeakPolarHBondContact O-CB 3.18Å; T54-T57 PolarHBondContact O-N 3.45Å; T54-T57 PolarHBondContact O-OG1 3.05Å
55K91.9Very high94Very high113 Ų11363.8 Ų63.849%0.49133%0.33SS..THydrogen-bonded Turntrans-57.9135178.8-164.6172.6-178.6175.90110.7Y26 T51 T57Y26-K55 HydrophobicContact CD1-CD 4.41Å; Y26-K55 HydrophobicContact CD1-CG 3.88Å; Y26-K55 HydrophobicContact CE1-CG 4.12Å; Y26-K55 HydrophobicContact CG-CD 4.33Å; Y26-K55 HydrophobicContact CG-CG 4.26Å; T51-K55 WeakPolarHBondContact O-CB 3.49Å; T51-K55 PolarHBondContact O-N 3.04Å; K55-T57 VanDerWaalsContact C-N 3.29Å
56G93.1Very high94Very high8 Ų865.2 Ų65.28%0.08234%0.335CS..THydrogen-bonded Turntrans78.511.8-172.400000114.2K22 N23 L24 T54K22-G56 CarbonylContact C-O 3.56Å; N23-G56 PolarHBondContact N-O 3.28Å; N23-G56 VanDerWaalsContact N-O 3.08Å; L24-G56 PolarHBondContact N-O 2.97Å; T54-G56 PolarHBondContact O-N 3.4Å
57T95.2Very high94Very high38 Ų3866.2 Ų66.223%0.23334%0.341CS..EExtended strand (participates in β ladder)trans-119.4152.1167.673.30000110.9V21 K22 G49 T54 K55V21-T57 CarbonylContact O-C 3.54Å; V21-T57 WeakPolarHBondContact O-CA 3.48Å; V21-T57 WeakPolarHBondContact O-CB 3.46Å; K22-T57 HydrophobicContact CG-CG2 4.18Å; G49-T57 PolarHBondContact N-O 3.37Å; T54-T57 WeakPolarHBondContact O-CB 3.18Å; T54-T57 PolarHBondContact O-N 3.45Å; T54-T57 PolarHBondContact O-OG1 3.05Å; K55-T57 VanDerWaalsContact C-N 3.29Å
58A95.8Very high94.1Very high1 Ų159.5 Ų59.51%0.00832%0.316CS..EExtended strand (participates in β ladder)trans-144.8154.5172.300000110.9V21 L24 M33 R47 I48V21-A58 HydrophobicContact CB-CB 4.43Å; V21-A58 PolarHBondContact N-O 3.36Å; V21-A58 PolarHBondContact O-N 2.97Å; L24-A58 HydrophobicContact CD1-CB 3.42Å; L24-A58 VanDerWaalsContact CD1-CB 3.42Å; M33-A58 HydrophobicContact CE-CB 3.64Å; R47-A58 CarbonylContact O-C 3.57Å; R47-A58 WeakPolarHBondContact O-CA 3.49Å; I48-A58 HydrophobicContact CG1-CB 4.36Å
59L95.7Very high94.2Very high44 Ų4459 Ų5923%0.2331%0.31CS..EExtended strand (participates in β ladder)trans-107.5119.5168.3-63.6173.1000108.5I18 L19 L20 I46 R47 Y90I18-L59 HydrophobicContact CG2-CD2 4.28Å; L19-L59 CarbonylContact O-C 3.52Å; L19-L59 WeakPolarHBondContact O-CA 3.37Å; L20-L59 HydrophobicContact CB-CD2 4.22Å; L20-L59 HydrophobicContact CD1-CD2 3.77Å; I46-L59 CarbonylContact C-O 3.58Å; I46-L59 WeakPolarHBondContact CA-O 3.43Å; R47-L59 HydrophobicContact CB-CB 4.32Å; R47-L59 PolarHBondContact N-O 2.88Å; R47-L59 PolarHBondContact O-N 3.24Å; L59-Y90 HydrophobicContact CD1-CE2 4.43Å; L59-Y90 HydrophobicContact CD2-CD2 3.56Å; L59-Y90 HydrophobicContact CD2-CE2 3.94Å
60V97.1Very high94.4Very high0 Ų061.6 Ų61.60%032%0.321CS..EExtended strand (participates in β ladder)trans-106.4123.3175.2-1790000108I18 L19 V21 M33 F37 I43 I46 Y62I18-V60 CarbonylContact C-O 3.59Å; I18-V60 WeakPolarHBondContact CA-O 3.21Å; L19-V60 PolarHBondContact N-O 2.94Å; L19-V60 PolarHBondContact O-N 3.28Å; V21-V60 HydrophobicContact CG2-CG2 3.85Å; M33-V60 HydrophobicContact CE-CG2 4.03Å; F37-V60 HydrophobicContact CB-CG1 4.04Å; F37-V60 HydrophobicContact CD1-CB 4.25Å; F37-V60 HydrophobicContact CD1-CG1 3.95Å; F37-V60 HydrophobicContact CD1-CG2 3.91Å; F37-V60 HydrophobicContact CD2-CG2 4.1Å; F37-V60 HydrophobicContact CE1-CG2 3.99Å; F37-V60 HydrophobicContact CE2-CG2 4.18Å; F37-V60 HydrophobicContact CG-CG1 4.04Å; F37-V60 HydrophobicContact CG-CG2 3.99Å; F37-V60 HydrophobicContact CZ-CG2 4.15Å; I43-V60 HydrophobicContact CD1-CG1 4.37Å; I46-V60 HydrophobicContact CG1-CG1 4.48Å; I46-V60 HydrophobicContact CG2-CG2 4.26Å; V60-Y62 HydrophobicContact CG1-CD2 4.17Å; V60-Y62 HydrophobicContact CG1-CE2 3.68Å
61I97.3Very high94.7Very high25 Ų2554.5 Ų54.513%0.12828%0.283CS..EExtended strand (participates in β ladder)trans-112.1113.4-177.7-50.5-177000107.8I18 R44 Q45I18-I61 HydrophobicContact CG1-CG1 4.17Å; I18-I61 HydrophobicContact CG1-CG2 4.19Å; I18-I61 HydrophobicContact CG2-CG1 4.22Å; R44-I61 HydrophobicContact CB-CB 4.44Å; R44-I61 HydrophobicContact CB-CG2 4.1Å; R44-I61 HydrophobicContact CG-CG2 4.5Å; R44-I61 PolarHBondContact N-O 2.85Å; Q45-I61 HydrophobicContact CB-CB 4.39Å; Q45-I61 HydrophobicContact CB-CD1 4.23Å; Q45-I61 PolarHBondContact N-O 3.2Å; Q45-I61 WeakPolarHBondContact O-CB 3.22Å; Q45-I61 PolarHBondContact O-N 2.9Å
62Y98.2Very high94.9Very high0 Ų052.4 Ų52.40%027%0.27CS..EExtended strand (participates in β ladder)trans-86.4156.7171.9-71.6-88.8000111.6R17 L19 F37 I43 V60 D64 D67 A68 A71R17-Y62 PolarHBondContact O-N 3.4Å; L19-Y62 HydrophobicContact CD1-CD2 4.35Å; L19-Y62 HydrophobicContact CD1-CE2 3.75Å; L19-Y62 HydrophobicContact CG-CD2 4.49Å; L19-Y62 HydrophobicContact CG-CE2 4.31Å; F37-Y62 WeakPolarHBondContact CA-OH 3.28Å; F37-Y62 WeakPolarHBondContact CB-OH 3.4Å; F37-Y62 WeakPolarHBondContact O-CE1 3.48Å; F37-Y62 PolarHBondContact O-OH 2.93Å; I43-Y62 HydrophobicContact CG1-CD1 4.33Å; I43-Y62 HydrophobicContact CG1-CE1 4.05Å; V60-Y62 HydrophobicContact CG1-CD2 4.17Å; V60-Y62 HydrophobicContact CG1-CE2 3.68Å; Y62-D64 WeakPolarHBondContact CB-O 3.41Å; Y62-D67 HydrophobicContact CD1-CB 3.95Å; Y62-D67 HydrophobicContact CG-CB 4.37Å; Y62-A68 HydrophobicContact CD2-CB 3.66Å; Y62-A68 HydrophobicContact CE2-CB 4.45Å; Y62-A68 HydrophobicContact CG-CB 4.09Å; Y62-A71 HydrophobicContact CE1-CB 4.48Å; Y62-A71 HydrophobicContact CE2-CB 3.76Å; Y62-A71 WeakPolarHBondContact OH-CB 3.42Å
63E97.3Very high95.1Very high90 Ų9050.4 Ų50.442%0.42125%0.252SS..SBendtrans-69.1-47.4170.2-67.8-66.6-175.700111.5R17 A42 R44R17-E63 WeakPolarHBondContact CD-O 3.2Å; R17-E63 PolarHBondContact NH1-O 2.77Å; A42-E63 HydrophobicContact CB-CB 4.25Å; A42-E63 HydrophobicContact CB-CG 3.97Å; A42-E63 PolarHBondContact O-N 3.07Å; R44-E63 HydrophobicContact CB-CG 4.26Å; R44-E63 WeakPolarHBondContact CD-OE1 3.36Å; R44-E63 WeakPolarHBondContact CD-OE2 3.34Å; R44-E63 IonicContact CZ-OE2 3.76Å; R44-E63 IonicContact NE-OE1 3.59Å; R44-E63 IonicContact NE-OE2 2.77Å; R44-E63 PolarHBondContact NE-OE2 2.86Å; R44-E63 IonicContact NH2-OE2 3.96Å
64D95.6Very high95.5Very high67 Ų6747 Ų4736%0.35824%0.236SC..SBendtrans-101.2147-179.2-161.5-69000112.1Y62 F66 D67 A68Y62-D64 WeakPolarHBondContact CB-O 3.41Å; D64-F66 WeakPolarHBondContact OD1-CB 3.22Å; D64-F66 WeakPolarHBondContact OD1-CD2 3.25Å; D64-F66 PolarHBondContact OD1-N 3.23Å; D64-D67 HydrophobicContact CB-CB 4.21Å; D64-A68 PolarHBondContact O-N 3.03Å
65I95Very high95.8Very high53 Ų5344.8 Ų44.827%0.27222%0.223SC..Hα-helixtrans-79.1-30.9179.9-167.1169.9000112.8L11 V15 R17 K69L11-I65 HydrophobicContact CD1-CB 4.23Å; L11-I65 HydrophobicContact CD1-CD1 3.91Å; L11-I65 HydrophobicContact CD1-CG1 3.77Å; L11-I65 HydrophobicContact CD1-CG2 3.58Å; V15-I65 HydrophobicContact CG1-CD1 4.14Å; V15-I65 HydrophobicContact CG1-CG1 3.77Å; R17-I65 HydrophobicContact CG-CB 3.7Å; R17-I65 HydrophobicContact CG-CG1 4.13Å; I65-K69 PolarHBondContact O-N 3.13Å
66F95.6Very high95.8Very high105 Ų10542.9 Ų42.946%0.46122%0.223SC..Hα-helixtrans-69.8-36.9175.7-60.1-73.6000110.8L11 D64 K69 N70L11-F66 HydrophobicContact CD1-CD1 3.79Å; L11-F66 HydrophobicContact CD1-CE1 3.61Å; L11-F66 HydrophobicContact CD1-CG 4.48Å; L11-F66 HydrophobicContact CD1-CZ 4.17Å; L11-F66 HydrophobicContact CD2-CD1 4.02Å; L11-F66 HydrophobicContact CD2-CE1 3.94Å; L11-F66 HydrophobicContact CG-CD1 4.17Å; L11-F66 HydrophobicContact CG-CE1 3.73Å; L11-F66 HydrophobicContact CG-CZ 4.49Å; D64-F66 WeakPolarHBondContact OD1-CB 3.22Å; D64-F66 WeakPolarHBondContact OD1-CD2 3.25Å; D64-F66 PolarHBondContact OD1-N 3.23Å; F66-K69 WeakPolarHBondContact O-CB 3.37Å; F66-K69 PolarHBondContact O-N 3.17Å; F66-N70 WeakPolarHBondContact O-CB 3.39Å; F66-N70 PolarHBondContact O-N 3.2Å
67D96.4Very high95.9Very high46 Ų4644.4 Ų44.425%0.24624%0.239CC..Hα-helixtrans-62.8-46.8173.7-65.7-4.5000111Y40 G41 Y62 D64 K69 N70 A71Y40-D67 WeakPolarHBondContact O-CB 3.44Å; G41-D67 VanDerWaalsContact CA-OD2 3.31Å; G41-D67 WeakPolarHBondContact CA-OD2 3.22Å; Y62-D67 HydrophobicContact CD1-CB 3.95Å; Y62-D67 HydrophobicContact CG-CB 4.37Å; D64-D67 HydrophobicContact CB-CB 4.21Å; D67-K69 VanDerWaalsContact C-N 3.29Å; D67-K69 PolarHBondContact O-N 2.89Å; D67-N70 PolarHBondContact O-N 2.78Å; D67-A71 WeakPolarHBondContact O-CB 3.34Å; D67-A71 PolarHBondContact O-N 3.2Å
68A96.5Very high95.9Very high0 Ų046.7 Ų46.70%025%0.246CC..Hα-helixtrans-60.1-40.1175.300000112.1N16 L19 Y62 D64 C72N16-A68 WeakPolarHBondContact O-CB 3.42Å; L19-A68 WeakPolarHBondContact CD1-O 3.2Å; L19-A68 HydrophobicContact CD2-CB 4.3Å; L19-A68 HydrophobicContact CG-CB 4.38Å; Y62-A68 HydrophobicContact CD2-CB 3.66Å; Y62-A68 HydrophobicContact CE2-CB 4.45Å; Y62-A68 HydrophobicContact CG-CB 4.09Å; D64-A68 PolarHBondContact O-N 3.03Å; A68-C72 WeakPolarHBondContact O-CB 3.42Å; A68-C72 PolarHBondContact O-N 2.84Å
69K95.6Very high95.8Very high68 Ų6850 Ų5030%0.29626%0.263SS..Hα-helixtrans-62.1-49.5174.5172.6173.7-172.4-49.80111.3L11 V15 I65 F66 D67 A71 C72 D73 Y89L11-K69 HydrophobicContact CD2-CD 3.51Å; V15-K69 HydrophobicContact CG1-CB 4.05Å; I65-K69 PolarHBondContact O-N 3.13Å; F66-K69 WeakPolarHBondContact O-CB 3.37Å; F66-K69 PolarHBondContact O-N 3.17Å; D67-K69 VanDerWaalsContact C-N 3.29Å; D67-K69 PolarHBondContact O-N 2.89Å; K69-A71 VanDerWaalsContact C-N 3.28Å; K69-A71 PolarHBondContact O-N 3.15Å; K69-C72 PolarHBondContact O-N 3.49Å; K69-C72 VanDerWaalsContact O-N 3.14Å; K69-D73 IonicContact NZ-OD2 2.66Å; K69-D73 PolarHBondContact NZ-OD2 3.26Å; K69-D73 VanDerWaalsContact O-CG 3.3Å; K69-D73 PolarHBondContact O-N 2.79Å; K69-Y89 VanDerWaalsContact CA-OH 3.29Å; K69-Y89 WeakPolarHBondContact CA-OH 3.36Å; K69-Y89 WeakPolarHBondContact CG-OH 3.38Å
70N95.7Very high95.5Very high71 Ų7148.5 Ų48.538%0.3826%0.256SS..Hα-helixtrans-59.6-42.9-179.1-163.928.7000111.1Y40 F66 D67 H74Y40-N70 HydrophobicContact CD1-CB 4.48Å; F66-N70 WeakPolarHBondContact O-CB 3.39Å; F66-N70 PolarHBondContact O-N 3.2Å; D67-N70 PolarHBondContact O-N 2.78Å; N70-H74 PolarHBondContact O-N 3.26Å; N70-H74 PolarHBondContact O-ND1 3.24Å; N70-H74 PolarHBondContact OD1-CE1 3.2Å; N70-H74 PolarHBondContact OD1-ND1 3.16Å; N70-H74 VanDerWaalsContact OD1-ND1 3.12Å
71A96.9Very high95.2Very high0 Ų052.4 Ų52.40%028%0.283CS..Hα-helixtrans-61.8-45.3173.900000112.5L19 Y40 Y62 D67 K69 D73 H74 L75L19-A71 HydrophobicContact CD1-CB 3.9Å; Y40-A71 HydrophobicContact CD1-CB 4.35Å; Y40-A71 HydrophobicContact CD2-CB 4.01Å; Y40-A71 HydrophobicContact CG-CB 3.75Å; Y62-A71 HydrophobicContact CE1-CB 4.48Å; Y62-A71 HydrophobicContact CE2-CB 3.76Å; Y62-A71 WeakPolarHBondContact OH-CB 3.42Å; D67-A71 WeakPolarHBondContact O-CB 3.34Å; D67-A71 PolarHBondContact O-N 3.2Å; K69-A71 VanDerWaalsContact C-N 3.28Å; K69-A71 PolarHBondContact O-N 3.15Å; A71-D73 VanDerWaalsContact C-N 3.34Å; A71-D73 PolarHBondContact O-N 2.93Å; A71-H74 PolarHBondContact O-N 2.82Å; A71-L75 HydrophobicContact CB-CD1 4.26Å; A71-L75 WeakPolarHBondContact O-CB 3.18Å; A71-L75 WeakPolarHBondContact O-CG 3.42Å; A71-L75 PolarHBondContact O-N 3.13Å
72C96.2Very high94.9Very high11 Ų1158.2 Ų58.27%0.07431%0.314CS..Hα-helixtrans-61.9-42.7-179.6-167.10000112.1L19 A68 K69 H74 S76 V87 Y89L19-C72 HydrophobicContact CD1-CB 4.21Å; L19-C72 HydrophobicContact CD2-CB 3.98Å; A68-C72 WeakPolarHBondContact O-CB 3.42Å; A68-C72 PolarHBondContact O-N 2.84Å; K69-C72 PolarHBondContact O-N 3.49Å; K69-C72 VanDerWaalsContact O-N 3.14Å; C72-H74 VanDerWaalsContact C-N 3.33Å; C72-H74 PolarHBondContact O-N 3.49Å; C72-S76 WeakPolarHBondContact O-CB 3.42Å; C72-S76 PolarHBondContact O-N 2.62Å; C72-V87 HydrophobicContact CB-CG1 4.4Å; C72-Y89 HydrophobicContact CB-CE1 3.88Å; C72-Y89 HydrophobicContact CB-CE2 4.41Å
73D94.7Very high94.7Very high87 Ų8762.2 Ų62.247%0.46533%0.329SS..Hα-helixtrans-66.9-33.6-177.6-66.3-19.5000112.1K69 A71K69-D73 IonicContact NZ-OD2 2.66Å; K69-D73 PolarHBondContact NZ-OD2 3.26Å; K69-D73 VanDerWaalsContact O-CG 3.3Å; K69-D73 PolarHBondContact O-N 2.79Å; A71-D73 VanDerWaalsContact C-N 3.34Å; A71-D73 PolarHBondContact O-N 2.93Å
74H95.6Very high94.7Very high112 Ų11264.8 Ų64.852%0.51934%0.336SS..Hα-helixtrans-99.8-27.5-175.1-65.490.4000114.7Y40 N70 A71 C72Y40-H74 HydrophobicContact CE1-CB 3.51Å; Y40-H74 AromaticContact CE1-CG 3.91Å; Y40-H74 WeakPolarHBondContact OH-CB 3.21Å; N70-H74 PolarHBondContact O-N 3.26Å; N70-H74 PolarHBondContact O-ND1 3.24Å; N70-H74 PolarHBondContact OD1-CE1 3.2Å; N70-H74 PolarHBondContact OD1-ND1 3.16Å; N70-H74 VanDerWaalsContact OD1-ND1 3.12Å; A71-H74 PolarHBondContact O-N 2.82Å; C72-H74 VanDerWaalsContact C-N 3.33Å; C72-H74 PolarHBondContact O-N 3.49Å
75L95.9Very high94.7Very high2 Ų261.7 Ų61.71%0.0132%0.319CS..Hα-helixtrans-91.1-11.1-178.1-68.2174.9000113.4I36 F37 Y40 A71 G77 F78 V87I36-L75 HydrophobicContact CG2-CD1 4.19Å; I36-L75 HydrophobicContact CG2-CD2 3.69Å; F37-L75 HydrophobicContact CD1-CD1 3.38Å; F37-L75 HydrophobicContact CE1-CD1 3.44Å; F37-L75 VanDerWaalsContact CE1-CD1 3.44Å; F37-L75 HydrophobicContact CG-CD1 4.06Å; F37-L75 HydrophobicContact CZ-CD1 4.16Å; Y40-L75 HydrophobicContact CD2-CD1 3.85Å; Y40-L75 HydrophobicContact CD2-CG 4.22Å; Y40-L75 HydrophobicContact CE2-CD1 3.54Å; Y40-L75 HydrophobicContact CE2-CD2 3.64Å; Y40-L75 HydrophobicContact CE2-CG 3.45Å; Y40-L75 VanDerWaalsContact CE2-CG 3.45Å; A71-L75 HydrophobicContact CB-CD1 4.26Å; A71-L75 WeakPolarHBondContact O-CB 3.18Å; A71-L75 WeakPolarHBondContact O-CG 3.42Å; A71-L75 PolarHBondContact O-N 3.13Å; L75-G77 PolarHBondContact O-N 3.37Å; L75-F78 HydrophobicContact CB-CB 4.49Å; L75-F78 HydrophobicContact CD2-CB 4.04Å; L75-F78 HydrophobicContact CD2-CD1 4.09Å; L75-F78 HydrophobicContact CD2-CD2 4.32Å; L75-F78 HydrophobicContact CD2-CG 3.9Å; L75-F78 VanDerWaalsContact O-CB 3.25Å; L75-F78 WeakPolarHBondContact O-CB 3.46Å; L75-F78 PolarHBondContact O-N 3.47Å; L75-V87 HydrophobicContact CB-CG2 3.89Å
76S93.7Very high94.8Very high72 Ų7262.1 Ų62.150%0.50332%0.324SS..THydrogen-bonded Turntrans-65.6117.5171.7-176.30000109.9C72C72-S76 WeakPolarHBondContact O-CB 3.42Å; C72-S76 PolarHBondContact O-N 2.62Å
77G94.1Very high94.8Very high40 Ų4057.3 Ų57.341%0.41230%0.303SS..THydrogen-bonded Turntrans81.513.5-173.400000114.1L75 Y84 L85L75-G77 PolarHBondContact O-N 3.37Å; G77-Y84 WeakPolarHBondContact O-CD1 3.45Å; G77-L85 WeakPolarHBondContact CA-O 3.37Å; G77-L85 PolarHBondContact N-O 3.03Å
78F94.8Very high94.8Very high87 Ų8758.8 Ų58.838%0.38231%0.311SS..  trans-69.3133.5173.9-173.5-109.9000110.9I36 L75 V80 Y84 L85I36-F78 HydrophobicContact CD1-CE1 4.38Å; I36-F78 HydrophobicContact CG1-CE1 4.27Å; I36-F78 HydrophobicContact CG2-CD1 4.14Å; I36-F78 HydrophobicContact CG2-CE1 4.02Å; L75-F78 HydrophobicContact CB-CB 4.49Å; L75-F78 HydrophobicContact CD2-CB 4.04Å; L75-F78 HydrophobicContact CD2-CD1 4.09Å; L75-F78 HydrophobicContact CD2-CD2 4.32Å; L75-F78 HydrophobicContact CD2-CG 3.9Å; L75-F78 VanDerWaalsContact O-CB 3.25Å; L75-F78 WeakPolarHBondContact O-CB 3.46Å; L75-F78 PolarHBondContact O-N 3.47Å; F78-V80 HydrophobicContact CD1-CG2 3.48Å; F78-V80 VanDerWaalsContact CD1-CG2 3.48Å; F78-V80 HydrophobicContact CE1-CG2 3.65Å; F78-Y84 WeakPolarHBondContact O-CA 3.44Å; F78-L85 HydrophobicContact CD1-CD1 4.28Å; F78-L85 PolarHBondContact O-N 2.84Å
79N93.6Very high94.7Very high70 Ų7060.6 Ų60.637%0.37432%0.318SS..EExtended strand (participates in β ladder)trans-87.4121-179.3-176.31.8000110.8N82 R83 Y84N79-N82 VanDerWaalsContact OD1-CA 3.23Å; N79-N82 WeakPolarHBondContact OD1-CA 3.44Å; N79-N82 PolarHBondContact OD1-N 2.98Å; N79-N82 VanDerWaalsContact OD1-N 3.13Å; N79-R83 WeakPolarHBondContact CA-O 3.21Å; N79-R83 PolarHBondContact OD1-N 2.83Å; N79-Y84 HydrophobicContact CB-CD1 4.12Å; N79-Y84 HydrophobicContact CB-CE1 3.89Å
80V90.8Very high94.6Very high13 Ų1359 Ų598%0.07931%0.31CS..EExtended strand (participates in β ladder)trans-128119.5172.2-172.10000108.6P25 I28 I36 F78 N82 R83 L85P25-V80 HydrophobicContact CG-CB 4.18Å; P25-V80 HydrophobicContact CG-CG1 3.87Å; I28-V80 HydrophobicContact CD1-CG1 4.11Å; I36-V80 HydrophobicContact CD1-CG1 4.26Å; I36-V80 HydrophobicContact CD1-CG2 3.88Å; F78-V80 HydrophobicContact CD1-CG2 3.48Å; F78-V80 VanDerWaalsContact CD1-CG2 3.48Å; F78-V80 HydrophobicContact CE1-CG2 3.65Å; V80-N82 VanDerWaalsContact C-N 3.33Å; V80-N82 PolarHBondContact O-N 2.84Å; V80-R83 PolarHBondContact N-O 2.99Å; V80-R83 WeakPolarHBondContact O-CB 3.18Å; V80-R83 PolarHBondContact O-N 3.08Å; V80-L85 HydrophobicContact CG2-CD1 3.77Å; V80-L85 HydrophobicContact CG2-CD2 4.34Å; V80-L85 HydrophobicContact CG2-CG 3.96Å
81C89.9Confident94.2Very high82 Ų8259.3 Ų59.355%0.55431%0.309SS*.THydrogen-bonded Turntrans49.947.6179.7-55.50000113.7P25 R83P25-C81 HydrophobicContact CB-CB 4.34Å; P25-C81 HydrophobicContact CG-CB 3.97Å; C81-R83 PolarHBondContact O-N 3.43Å
82N92Very high93.5Very high146 Ų14667.6 Ų67.678%0.78134%0.34SS*.THydrogen-bonded Turntrans61.922.9-176-65.2-20.2000114.6N79 V80N79-N82 VanDerWaalsContact OD1-CA 3.23Å; N79-N82 WeakPolarHBondContact OD1-CA 3.44Å; N79-N82 PolarHBondContact OD1-N 2.98Å; N79-N82 VanDerWaalsContact OD1-N 3.13Å; V80-N82 VanDerWaalsContact C-N 3.33Å; V80-N82 PolarHBondContact O-N 2.84Å
83R93.6Very high92.7Very high85 Ų8573.3 Ų73.332%0.32137%0.371SS..EExtended strand (participates in β ladder)trans-123.6130.6173.4-58-176.774.4117.31.2109.8N23 N79 V80 C81N23-R83 PolarHBondContact O-NE 2.79Å; N23-R83 PolarHBondContact OD1-NE 3.37Å; N23-R83 PolarHBondContact OD1-NH2 3.39Å; N79-R83 WeakPolarHBondContact CA-O 3.21Å; N79-R83 PolarHBondContact OD1-N 2.83Å; V80-R83 PolarHBondContact N-O 2.99Å; V80-R83 WeakPolarHBondContact O-CB 3.18Å; V80-R83 PolarHBondContact O-N 3.08Å; C81-R83 PolarHBondContact O-N 3.43Å
84Y96.1Very high91.8Very high144 Ų14476.2 Ų76.257%0.56538%0.379SS*.EExtended strand (participates in β ladder)trans-86.2118.4176.5-64.7-85.6000110N23 G77 F78 N79N23-Y84 PolarHBondContact ND2-O 3.44Å; G77-Y84 WeakPolarHBondContact O-CD1 3.45Å; F78-Y84 WeakPolarHBondContact O-CA 3.44Å; N79-Y84 HydrophobicContact CB-CD1 4.12Å; N79-Y84 HydrophobicContact CB-CE1 3.89Å
85L96.3Very high90.6Very high2 Ų275.2 Ų75.21%0.0137%0.374CS..  trans-67.7143.1179.8-61.4-173.7000111V21 L24 F37 G77 F78 V80 V87V21-L85 HydrophobicContact CG1-CD1 4.44Å; V21-L85 HydrophobicContact CG1-CD2 4.41Å; L24-L85 HydrophobicContact CD2-CD2 3.75Å; L24-L85 HydrophobicContact CG-CD2 3.95Å; F37-L85 HydrophobicContact CZ-CD1 4.42Å; G77-L85 WeakPolarHBondContact CA-O 3.37Å; G77-L85 PolarHBondContact N-O 3.03Å; F78-L85 HydrophobicContact CD1-CD1 4.28Å; F78-L85 PolarHBondContact O-N 2.84Å; V80-L85 HydrophobicContact CG2-CD1 3.77Å; V80-L85 HydrophobicContact CG2-CD2 4.34Å; V80-L85 HydrophobicContact CG2-CG 3.96Å; L85-V87 HydrophobicContact CB-CG2 4.36Å
86V96.5Very high89.7Confident61 Ų6180.2 Ų80.237%0.3740%0.396SS..EExtended strand (participates in β ladder)trans-110.5113169.3177.10000107.4V21 K22 L88V21-V86 CarbonylContact C-O 3.59Å; V21-V86 WeakPolarHBondContact CA-O 3.46Å; K22-V86 HydrophobicContact CB-CB 4.16Å; K22-V86 PolarHBondContact N-O 3.45Å; K22-V86 PolarHBondContact O-N 3.22Å; V86-L88 HydrophobicContact CG1-CD1 4.22Å; V86-L88 HydrophobicContact CG1-CD2 4.32Å; V86-L88 HydrophobicContact CG1-CG 4.06Å
87V96.7Very high88.9Confident4 Ų483.8 Ų83.82%0.02440%0.403CS..EExtended strand (participates in β ladder)trans-111.1125.3-177.9-172.50000108.8L19 V21 C72 L75 L85L19-V87 HydrophobicContact CB-CG1 4.12Å; L19-V87 HydrophobicContact CD1-CG1 3.77Å; L19-V87 HydrophobicContact CG-CG1 4.41Å; V21-V87 HydrophobicContact CG1-CG2 4.43Å; C72-V87 HydrophobicContact CB-CG1 4.4Å; L75-V87 HydrophobicContact CB-CG2 3.89Å; L85-V87 HydrophobicContact CB-CG2 4.36Å
88L95.1Very high88Confident77 Ų7789.2 Ų89.240%0.40342%0.415SS..EExtended strand (participates in β ladder)trans-133.3149.2-175.8-59.4171.9000109.6L19 L20 K22 V86 Y90L19-L88 CarbonylContact C-O 3.48Å; L19-L88 WeakPolarHBondContact CA-O 3.36Å; L20-L88 PolarHBondContact N-O 2.73Å; L20-L88 PolarHBondContact O-N 2.84Å; K22-L88 HydrophobicContact CD-CD1 4.49Å; V86-L88 HydrophobicContact CG1-CD1 4.22Å; V86-L88 HydrophobicContact CG1-CD2 4.32Å; V86-L88 HydrophobicContact CG1-CG 4.06Å; L88-Y90 PolarHBondContact O-N 2.72Å
89Y95.7Very high87.2Confident38 Ų3888.4 Ų88.415%0.14942%0.417CS..EExtended strand (participates in β ladder)trans-64.6138166.8-62.6-67.6000111.1E14 V15 N16 L19 K69 C72 Q91E14-Y89 WeakPolarHBondContact O-CB 3.47Å; V15-Y89 HydrophobicContact CB-CE1 4.26Å; V15-Y89 HydrophobicContact CG1-CD1 4.34Å; V15-Y89 HydrophobicContact CG1-CE1 3.71Å; V15-Y89 HydrophobicContact CG2-CE1 4.42Å; V15-Y89 HydrophobicContact CG2-CE2 4.14Å; N16-Y89 HydrophobicContact CB-CD1 4.5Å; L19-Y89 HydrophobicContact CD2-CD1 3.5Å; L19-Y89 HydrophobicContact CD2-CE1 3.76Å; L19-Y89 HydrophobicContact CD2-CG 4.44Å; K69-Y89 VanDerWaalsContact CA-OH 3.29Å; K69-Y89 WeakPolarHBondContact CA-OH 3.36Å; K69-Y89 WeakPolarHBondContact CG-OH 3.38Å; C72-Y89 HydrophobicContact CB-CE1 3.88Å; C72-Y89 HydrophobicContact CB-CE2 4.41Å; Y89-Q91 PolarHBondContact O-N 3.41Å; Y89-Q91 VanDerWaalsContact O-N 3.16Å
90Y93.8Very high86.6Confident35 Ų3589.4 Ų89.414%0.13742%0.423CS..  trans-68.3114.7176.3-178-97.8000110.6N16 I18 L59 L88 R92 Q95N16-Y90 PolarHBondContact ND2-O 3.08Å; I18-Y90 HydrophobicContact CB-CD1 4.46Å; I18-Y90 HydrophobicContact CB-CG 4.2Å; I18-Y90 HydrophobicContact CD1-CD1 4.34Å; I18-Y90 HydrophobicContact CG2-CD1 4.33Å; I18-Y90 HydrophobicContact CG2-CD2 4.23Å; I18-Y90 HydrophobicContact CG2-CG 3.79Å; I18-Y90 WeakPolarHBondContact O-CB 3.36Å; I18-Y90 PolarHBondContact O-N 3.21Å; L59-Y90 HydrophobicContact CD1-CE2 4.43Å; L59-Y90 HydrophobicContact CD2-CD2 3.56Å; L59-Y90 HydrophobicContact CD2-CE2 3.94Å; L88-Y90 PolarHBondContact O-N 2.72Å; Y90-R92 HydrophobicContact CE1-CB 4.07Å; Y90-Q95 HydrophobicContact CD2-CG 4.41Å; Y90-Q95 HydrophobicContact CE2-CB 4.39Å; Y90-Q95 HydrophobicContact CE2-CG 3.67Å
91Q87.4Confident86.3Confident77 Ų7793.5 Ų93.536%0.3645%0.447SS..  trans-103100.7175.7-65.7-170.8-23.800109.8Y89 N93 K94 Q95Y89-Q91 PolarHBondContact O-N 3.41Å; Y89-Q91 VanDerWaalsContact O-N 3.16Å; Q91-N93 VanDerWaalsContact C-N 3.27Å; Q91-N93 PolarHBondContact O-N 2.85Å; Q91-K94 HydrophobicContact CB-CB 4.29Å; Q91-K94 HydrophobicContact CB-CD 4.44Å; Q91-K94 HydrophobicContact CB-CG 4.31Å; Q91-K94 PolarHBondContact O-N 3.3Å; Q91-Q95 PolarHBondContact O-N 2.99Å
92R80.2Confident86.1Confident174 Ų17493.2 Ų93.266%0.65744%0.44SS*.Hα-helixtrans-49.7-48.4179.7-175172.3-105.6168.4-5.4111.5Y90 K94 Q95 F96Y90-R92 HydrophobicContact CE1-CB 4.07Å; R92-K94 VanDerWaalsContact C-N 3.28Å; R92-K94 PolarHBondContact O-N 2.95Å; R92-Q95 PolarHBondContact O-N 3.43Å; R92-Q95 VanDerWaalsContact O-N 3.17Å; R92-F96 HydrophobicContact CG-CD2 3.7Å; R92-F96 HydrophobicContact CG-CE2 3.72Å; R92-F96 WeakPolarHBondContact O-CD2 3.43Å; R92-F96 PolarHBondContact O-N 3.38Å
93N79.7Confident85.9Confident132 Ų13292.3 Ų92.371%0.70643%0.43SS*.Hα-helixtrans-60.6-31.6-177.9-73.73.4000114.2Q91 K97Q91-N93 VanDerWaalsContact C-N 3.27Å; Q91-N93 PolarHBondContact O-N 2.85Å; N93-K97 WeakPolarHBondContact O-CB 3.45Å; N93-K97 VanDerWaalsContact O-CG 3.22Å; N93-K97 WeakPolarHBondContact O-CG 3.36Å; N93-K97 PolarHBondContact O-N 3.47Å
94K76.2Confident85.6Confident148 Ų14895.9 Ų95.964%0.64345%0.447SS*.Hα-helixtrans-76.8-34.1179-75-170.9-179.7157.90112.4Q91 R92Q91-K94 HydrophobicContact CB-CB 4.29Å; Q91-K94 HydrophobicContact CB-CD 4.44Å; Q91-K94 HydrophobicContact CB-CG 4.31Å; Q91-K94 PolarHBondContact O-N 3.3Å; R92-K94 VanDerWaalsContact C-N 3.28Å; R92-K94 PolarHBondContact O-N 2.95Å
95Q71.7Confident85.3Confident90 Ų9095.1 Ų95.142%0.42145%0.447SS..Hα-helixtrans-71.4-47.3-178.4-77.7-96-29.900111.7Y90 Q91 R92Y90-Q95 HydrophobicContact CD2-CG 4.41Å; Y90-Q95 HydrophobicContact CE2-CB 4.39Å; Y90-Q95 HydrophobicContact CE2-CG 3.67Å; Q91-Q95 PolarHBondContact O-N 2.99Å; R92-Q95 PolarHBondContact O-N 3.43Å; R92-Q95 VanDerWaalsContact O-N 3.17Å
96F75Confident85Confident107 Ų107101.3 Ų101.347%0.46948%0.476SS..Hα-helixtrans-70.8-33.4-179.8-74.9-85.5000113.2R92 K98 T99 D100R92-F96 HydrophobicContact CG-CD2 3.7Å; R92-F96 HydrophobicContact CG-CE2 3.72Å; R92-F96 WeakPolarHBondContact O-CD2 3.43Å; R92-F96 PolarHBondContact O-N 3.38Å; F96-K98 PolarHBondContact O-N 3.29Å; F96-K98 VanDerWaalsContact O-N 3.13Å; F96-T99 PolarHBondContact O-N 2.95Å; F96-T99 VanDerWaalsContact O-N 3.07Å; F96-D100 PolarHBondContact O-N 3.25Å
97K77Confident84.7Confident148 Ų148104.9 Ų104.964%0.64349%0.489SS*.Hα-helixtrans-52-39.2176.8-93-175.7177.2-167.10113.4N93 V101N93-K97 WeakPolarHBondContact O-CB 3.45Å; N93-K97 VanDerWaalsContact O-CG 3.22Å; N93-K97 WeakPolarHBondContact O-CG 3.36Å; N93-K97 PolarHBondContact O-N 3.47Å; K97-V101 WeakPolarHBondContact O-CG2 3.3Å; K97-V101 PolarHBondContact O-N 2.97Å
98K75.9Confident84.3Confident154 Ų154109 Ų10967%0.6751%0.51SS*.Hα-helixtrans-67-49.2179.7-169172.3177.3-170.40110.5F96 D100 V101 D102F96-K98 PolarHBondContact O-N 3.29Å; F96-K98 VanDerWaalsContact O-N 3.13Å; K98-D100 VanDerWaalsContact C-N 3.35Å; K98-D100 PolarHBondContact O-N 3.43Å; K98-V101 PolarHBondContact O-N 3.42Å; K98-V101 VanDerWaalsContact O-N 3.16Å; K98-D102 PolarHBondContact O-N 2.97Å; K98-D102 VanDerWaalsContact O-OD2 3.08Å
99T78.5Confident84.1Confident69 Ų69109.3 Ų109.342%0.42351%0.512SS..Hα-helixtrans-59-41.4177.2-51.70000113.1F96 V101 D102 K103F96-T99 PolarHBondContact O-N 2.95Å; F96-T99 VanDerWaalsContact O-N 3.07Å; T99-V101 VanDerWaalsContact C-N 3.33Å; T99-V101 PolarHBondContact O-N 3.38Å; T99-D102 PolarHBondContact O-N 3.35Å; T99-K103 HydrophobicContact CG2-CD 4.33Å; T99-K103 WeakPolarHBondContact O-CG 3.43Å; T99-K103 PolarHBondContact O-N 2.98Å
100D80.8Confident83.8Confident92 Ų92117.3 Ų117.349%0.49254%0.542SS..Hα-helixtrans-64.6-37.6177.6-76.8-64.7000112.5F96 K98 K104F96-D100 PolarHBondContact O-N 3.25Å; K98-D100 VanDerWaalsContact C-N 3.35Å; K98-D100 PolarHBondContact O-N 3.43Å; D100-K104 WeakPolarHBondContact O-CB 3.23Å; D100-K104 PolarHBondContact O-N 3.15Å; D100-K104 VanDerWaalsContact O-N 3.13Å
101V84.3Confident83.6Confident98 Ų98119.8 Ų119.859%0.59456%0.557SS**Hα-helixtrans-70.1-43.8177.7172.30000110.9K97 K98 T99 K104 K105K97-V101 WeakPolarHBondContact O-CG2 3.3Å; K97-V101 PolarHBondContact O-N 2.97Å; K98-V101 PolarHBondContact O-N 3.42Å; K98-V101 VanDerWaalsContact O-N 3.16Å; T99-V101 VanDerWaalsContact C-N 3.33Å; T99-V101 PolarHBondContact O-N 3.38Å; V101-K104 PolarHBondContact O-N 2.99Å; V101-K105 WeakPolarHBondContact O-CB 3.44Å; V101-K105 PolarHBondContact O-N 3.32Å
102D85.1Confident83.6Confident76 Ų76119.8 Ų119.841%0.40656%0.556SS.*Hα-helixtrans-62.6-45.8178.5-74.5-53.4000111.3K98 T99 K104 K105 E106K98-D102 PolarHBondContact O-N 2.97Å; K98-D102 VanDerWaalsContact O-OD2 3.08Å; T99-D102 PolarHBondContact O-N 3.35Å; D102-K104 PolarHBondContact O-N 3.35Å; D102-K105 WeakPolarHBondContact O-CB 3.44Å; D102-K105 PolarHBondContact O-N 3.3Å; D102-K105 VanDerWaalsContact O-N 3.15Å; D102-E106 PolarHBondContact O-N 3.29Å
103K88.4Confident84Confident128 Ų128115.4 Ų115.456%0.55756%0.557SS**Hα-helixtrans-60.3-44.2175.8-74.3-179.9179.2-1780112.9T99 K105 E106 E107T99-K103 HydrophobicContact CG2-CD 4.33Å; T99-K103 WeakPolarHBondContact O-CG 3.43Å; T99-K103 PolarHBondContact O-N 2.98Å; K103-K105 VanDerWaalsContact C-N 3.28Å; K103-K105 PolarHBondContact O-N 3.13Å; K103-E106 PolarHBondContact O-N 2.93Å; K103-E107 PolarHBondContact O-N 2.74Å
104K87.9Confident84.5Confident159 Ų159116.7 Ų116.769%0.69156%0.556SS**Hα-helixtrans-63.2-36.6176.6-87.9178171.1174.70112.2D100 V101 D102 L108D100-K104 WeakPolarHBondContact O-CB 3.23Å; D100-K104 PolarHBondContact O-N 3.15Å; D100-K104 VanDerWaalsContact O-N 3.13Å; V101-K104 PolarHBondContact O-N 2.99Å; D102-K104 PolarHBondContact O-N 3.35Å; K104-L108 VanDerWaalsContact O-CB 3.3Å; K104-L108 WeakPolarHBondContact O-CB 3.47Å; K104-L108 PolarHBondContact O-N 3.16Å
105K89.1Confident85Confident128 Ų128116.5 Ų116.556%0.55755%0.552SS**Hα-helixtrans-66.3-45.8176.8-174.6-177.8170.2-1690111V101 D102 K103 E107 L108 D109V101-K105 WeakPolarHBondContact O-CB 3.44Å; V101-K105 PolarHBondContact O-N 3.32Å; D102-K105 WeakPolarHBondContact O-CB 3.44Å; D102-K105 PolarHBondContact O-N 3.3Å; D102-K105 VanDerWaalsContact O-N 3.15Å; K103-K105 VanDerWaalsContact C-N 3.28Å; K103-K105 PolarHBondContact O-N 3.13Å; K105-E107 VanDerWaalsContact C-N 3.35Å; K105-E107 PolarHBondContact O-N 3.3Å; K105-L108 PolarHBondContact O-N 3.08Å; K105-D109 PolarHBondContact O-N 2.86Å
106E90.4Very high85.3Confident133 Ų133115.3 Ų115.362%0.62156%0.564SS**Hα-helixtrans-61.5-41.9175.7-74.5178.410800112.4D102 K103 L108 D109 R110D102-E106 PolarHBondContact O-N 3.29Å; K103-E106 PolarHBondContact O-N 2.93Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-D109 PolarHBondContact O-N 3.44Å; E106-R110 WeakPolarHBondContact O-CB 3.29Å; E106-R110 PolarHBondContact O-N 3.41Å
107E90Very high85.2Confident136 Ų136115.3 Ų115.364%0.63657%0.568SS**Hα-helixtrans-62.9-43175.7-167.4177.9132.900111.3K103 K105 R110 L111K103-E107 PolarHBondContact O-N 2.74Å; K105-E107 VanDerWaalsContact C-N 3.35Å; K105-E107 PolarHBondContact O-N 3.3Å; E107-R110 PolarHBondContact O-N 2.94Å; E107-L111 WeakPolarHBondContact O-CB 3.41Å; E107-L111 PolarHBondContact O-N 2.9Å
108L88.8Confident84.5Confident91 Ų91114.8 Ų114.848%0.47657%0.573SS.*Hα-helixtrans-63.3-43.1176.6-176.165.8000111.9K104 K105 E106 L111 K112K104-L108 VanDerWaalsContact O-CB 3.3Å; K104-L108 WeakPolarHBondContact O-CB 3.47Å; K104-L108 PolarHBondContact O-N 3.16Å; K105-L108 PolarHBondContact O-N 3.08Å; E106-L108 VanDerWaalsContact C-N 3.35Å; L108-L111 PolarHBondContact O-N 2.91Å; L108-K112 HydrophobicContact CG-CD 4.29Å; L108-K112 WeakPolarHBondContact O-CB 3.48Å; L108-K112 VanDerWaalsContact O-CG 3.29Å; L108-K112 WeakPolarHBondContact O-CG 3.24Å; L108-K112 PolarHBondContact O-N 3.39Å
109D89.3Confident83.7Confident82 Ų82113.2 Ų113.244%0.43958%0.576SS.*Hα-helixtrans-66.2-39.5177.5-78.2-33.6000111.3K105 E106 L111 K112 A113K105-D109 PolarHBondContact O-N 2.86Å; E106-D109 PolarHBondContact O-N 3.44Å; D109-L111 PolarHBondContact O-N 3.47Å; D109-K112 PolarHBondContact O-N 2.88Å; D109-A113 WeakPolarHBondContact O-CB 3.45Å; D109-A113 PolarHBondContact O-N 3.2Å
110R90.7Very high82.7Confident207 Ų207115.2 Ų115.278%0.78159%0.591SS**Hα-helixtrans-60.4-44.3171.3-109.1-174.5179.8-155.50.7112.3E106 E107 A113 K114E106-R110 WeakPolarHBondContact O-CB 3.29Å; E106-R110 PolarHBondContact O-N 3.41Å; E107-R110 PolarHBondContact O-N 2.94Å; R110-A113 PolarHBondContact O-N 3.3Å; R110-K114 VanDerWaalsContact O-CB 3.29Å; R110-K114 WeakPolarHBondContact O-CB 3.35Å; R110-K114 PolarHBondContact O-N 3.49Å
111L88.3Confident81.6Confident87 Ų87120.7 Ų120.746%0.45561%0.61SS.*Hα-helixtrans-66.3-45.2179.7-135.473.9000110.6E107 L108 D109 A113 K114 Y115E107-L111 WeakPolarHBondContact O-CB 3.41Å; E107-L111 PolarHBondContact O-N 2.9Å; L108-L111 PolarHBondContact O-N 2.91Å; D109-L111 PolarHBondContact O-N 3.47Å; L111-A113 VanDerWaalsContact C-N 3.33Å; L111-A113 PolarHBondContact O-N 3.35Å; L111-K114 PolarHBondContact O-N 2.92Å; L111-Y115 HydrophobicContact CD1-CE2 4.04Å; L111-Y115 HydrophobicContact CG-CD2 3.91Å; L111-Y115 HydrophobicContact CG-CE2 3.81Å; L111-Y115 VanDerWaalsContact O-CD2 3.24Å; L111-Y115 WeakPolarHBondContact O-CD2 3.29Å; L111-Y115 PolarHBondContact O-N 2.93Å
112K88.5Confident79.8Confident77 Ų77125.2 Ų125.234%0.33563%0.627SS.*Hα-helixtrans-59.8-42.4176.3-76.3177.9175.9-172.40112.2L108 D109 G116 L117L108-K112 HydrophobicContact CG-CD 4.29Å; L108-K112 WeakPolarHBondContact O-CB 3.48Å; L108-K112 VanDerWaalsContact O-CG 3.29Å; L108-K112 WeakPolarHBondContact O-CG 3.24Å; L108-K112 PolarHBondContact O-N 3.39Å; D109-K112 PolarHBondContact O-N 2.88Å; K112-G116 PolarHBondContact O-N 3.46Å; K112-L117 HydrophobicContact CG-CB 4.5Å; K112-L117 PolarHBondContact O-N 3.03Å
113A88.2Confident78Confident82 Ų82135 Ų13568%0.67867%0.666SS**Hα-helixtrans-65.1-43.8175.200000111.8D109 R110 L111 Y115D109-A113 WeakPolarHBondContact O-CB 3.45Å; D109-A113 PolarHBondContact O-N 3.2Å; R110-A113 PolarHBondContact O-N 3.3Å; L111-A113 VanDerWaalsContact C-N 3.33Å; L111-A113 PolarHBondContact O-N 3.35Å; A113-Y115 PolarHBondContact O-N 3.01Å
114K89.4Confident77.4Confident158 Ų158135.4 Ų135.469%0.68767%0.671SS**Hα-helixtrans-64.4-37.7-179.6-172.8178.4-179.4-175.20113R110 L111R110-K114 VanDerWaalsContact O-CB 3.29Å; R110-K114 WeakPolarHBondContact O-CB 3.35Å; R110-K114 PolarHBondContact O-N 3.49Å; L111-K114 PolarHBondContact O-N 2.92Å
115Y88Confident76.9Confident144 Ų144134.1 Ų134.157%0.56567%0.67SS**THydrogen-bonded Turntrans-101.86.7-177.1-65.9-76.5000113.9L111 A113 L117L111-Y115 HydrophobicContact CD1-CE2 4.04Å; L111-Y115 HydrophobicContact CG-CD2 3.91Å; L111-Y115 HydrophobicContact CG-CE2 3.81Å; L111-Y115 VanDerWaalsContact O-CD2 3.24Å; L111-Y115 WeakPolarHBondContact O-CD2 3.29Å; L111-Y115 PolarHBondContact O-N 2.93Å; A113-Y115 PolarHBondContact O-N 3.01Å; Y115-L117 PolarHBondContact O-N 3.02Å
116G78.7Confident76.2Confident65 Ų65134.4 Ų134.467%0.6768%0.677SS**THydrogen-bonded Turntrans62.521179.400000114.5K112 N118K112-G116 PolarHBondContact O-N 3.46Å; G116-N118 PolarHBondContact O-N 3.17Å
117L72.1Confident75.4Confident107 Ų107134.5 Ų134.556%0.5668%0.68SS**  trans-80.326.5-173.6-69.1168.5000113.3K112 Y115 T119K112-L117 HydrophobicContact CG-CB 4.5Å; K112-L117 PolarHBondContact O-N 3.03Å; Y115-L117 PolarHBondContact O-N 3.02Å; L117-T119 PolarHBondContact O-N 3.2Å
118N61Low74.5Confident138 Ų138134.4 Ų134.474%0.73868%0.683SS**  trans-78.674.1175.4-138.719.3000108.7G116 P120G116-N118 PolarHBondContact O-N 3.17Å; N118-P120 WeakPolarHBondContact O-CD 3.37Å
119T60Low73.5Confident120 Ų120137.3 Ų137.374%0.73670%0.696SS**  trans-65.3119.2169.615.60000108L117 K121L117-T119 PolarHBondContact O-N 3.2Å; T119-K121 PolarHBondContact O-N 2.85Å
120P57.2Low72.4Confident112 Ų112141.3 Ų141.373%0.72772%0.715SS**  trans-60.6126.916726.3-29.7000106.1N118 M122N118-P120 WeakPolarHBondContact O-CD 3.37Å; P120-M122 PolarHBondContact O-N 2.91Å
121K57.3Low71Confident206 Ų206136.2 Ų136.290%0.89671%0.71SS**  trans-48.6114.8169.6-81.9-171.4172.5-176.30106.5T119 K123T119-K121 PolarHBondContact O-N 2.85Å; K121-K123 PolarHBondContact O-N 3.08Å; K121-K123 VanDerWaalsContact O-N 3.08Å
122M48.4Very low69.5Low194 Ų194140.3 Ų140.396%0.95673%0.731SS**  trans-52.6122.2173.4-90.5178.5125.700106.8P120P120-M122 PolarHBondContact O-N 2.91Å
123K45.3Very low67.8Low281 Ų281146.1 Ų146.1100%1.22277%0.767SS**  trans-63.10-179.3-129.8-179-177.3-176.90110.4K121K121-K123 PolarHBondContact O-N 3.08Å; K121-K123 VanDerWaalsContact O-N 3.08Å

Retrieved 123 of 123 residues in 24.3 ms (Link to these results)

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