A0A3Q0KPY9_SCHMA Loading...

Putative pdz domain containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KPY9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 191 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
1M36Very low56.9Low243 Ų243130.6 Ų130.6100%1.19769%0.687SS**  0105.90-79.4170.314500109.1
2K41.3Very low60Low208 Ų208119.8 Ų119.890%0.90463%0.63SS**  trans-175.864.6155.3-104.4177-176.1-177.90108.2
3E46.8Very low62.7Low180 Ų180113.3 Ų113.384%0.84159%0.592SS**  trans-101.665.9162.7-167.8169.7-169.800106.6
4S48.2Very low65.1Low106 Ų106108.6 Ų108.674%0.74157%0.567SS**  trans-161.480.4-177.2-63.40000109.7
5A50.3Low67.1Low93 Ų93101.3 Ų101.377%0.76953%0.529SS*.SBendtrans-168.7-18.2160.800000113.7
6E48.2Very low68.8Low130 Ų13096.9 Ų96.961%0.60751%0.505SS*.  trans-113.228.7-179-77.2173.3174.600114Q8E6-Q8 PolarHBondContact O-N 3.3Å
7S52.8Low70.2Confident108 Ų10891.2 Ų91.276%0.75548%0.475SS*.  trans-68.347.8153.6-470000110.1N9S7-N9 PolarHBondContact O-N 3.1Å
8Q56.7Low71.3Confident118 Ų11891.4 Ų91.455%0.55147%0.472SS*.  trans-50.9130.9151.2-67.2-67.8-43.900104.8E6 H10E6-Q8 PolarHBondContact O-N 3.3Å; Q8-H10 VanDerWaalsContact CB-CD2 3.47Å; Q8-H10 WeakPolarHBondContact CB-CD2 3.31Å; Q8-H10 VanDerWaalsContact CB-NE2 3.28Å; Q8-H10 WeakPolarHBondContact CB-NE2 3.4Å; Q8-H10 PolarHBondContact O-CD2 3.13Å; Q8-H10 PolarHBondContact O-N 2.93Å
9N73.7Confident72.1Confident134 Ų13490.8 Ų90.872%0.71747%0.469SS*.  trans-64.258.7-169.2-163.412000112.6S7 R11S7-N9 PolarHBondContact O-N 3.1Å; N9-R11 PolarHBondContact O-N 3.08Å; N9-R11 WeakPolarHBondContact OD1-CD 3.36Å
10H82.7Confident72.7Confident35 Ų3587.2 Ų87.216%0.16245%0.449CS..  trans-83.794.4-178.6-66.7-60.8000106.9Q8 D96 Y99 F100Q8-H10 VanDerWaalsContact CB-CD2 3.47Å; Q8-H10 WeakPolarHBondContact CB-CD2 3.31Å; Q8-H10 VanDerWaalsContact CB-NE2 3.28Å; Q8-H10 WeakPolarHBondContact CB-NE2 3.4Å; Q8-H10 PolarHBondContact O-CD2 3.13Å; Q8-H10 PolarHBondContact O-N 2.93Å; H10-D96 HydrophobicContact CB-CB 4.32Å; H10-D96 IonicContact CE1-OD1 2.86Å; H10-D96 IonicContact CG-OD1 2.66Å; H10-D96 IonicContact ND1-OD1 3.16Å; H10-D96 PolarHBondContact ND1-OD1 3.17Å; H10-Y99 HydrophobicContact CB-CD1 3.55Å; H10-Y99 HydrophobicContact CB-CE1 4.01Å; H10-Y99 HydrophobicContact CB-CG 3.92Å; H10-Y99 AromaticContact CD2-CD1 3.99Å; H10-Y99 AromaticContact CD2-CD2 3.52Å; H10-Y99 AromaticContact CD2-CG 3.48Å; H10-Y99 VanDerWaalsContact CD2-CG 3.48Å; H10-Y99 AromaticContact CG-CD1 3.99Å; H10-Y99 AromaticContact CG-CG 3.81Å; H10-F100 WeakPolarHBondContact O-CZ 3.24Å
11R89.3Confident73.1Confident82 Ų8288.4 Ų88.431%0.30946%0.462SS..  trans-120.3137.6-179.4-64.4175.688.6-1619.9108.8N9 D113 I115N9-R11 PolarHBondContact O-N 3.08Å; N9-R11 WeakPolarHBondContact OD1-CD 3.36Å; R11-D113 IonicContact CZ-OD1 3.24Å; R11-D113 IonicContact CZ-OD2 3.98Å; R11-D113 PolarHBondContact NE-O 2.66Å; R11-D113 IonicContact NE-OD1 2.73Å; R11-D113 IonicContact NE-OD2 2.87Å; R11-D113 PolarHBondContact NE-OD2 3.15Å; R11-D113 IonicContact NH2-OD1 3.67Å; R11-D113 PolarHBondContact NH2-OD1 3.12Å; R11-D113 IonicContact NH2-OD2 3.94Å; R11-D113 PolarHBondContact NH2-OD2 3.1Å; R11-I115 HydrophobicContact CB-CD1 3.95Å; R11-I115 HydrophobicContact CB-CG1 3.96Å
12A94.6Very high75.3Confident1 Ų183.7 Ų83.71%0.00844%0.442CS..  trans-70.2161.3167.100000109.8L90 V91 V92 F100 A110 P114 I115A12-L90 HydrophobicContact CB-CD1 3.9Å; A12-L90 HydrophobicContact CB-CG 4.41Å; A12-V91 WeakPolarHBondContact CA-O 3.47Å; A12-V92 HydrophobicContact CB-CG1 3.54Å; A12-F100 HydrophobicContact CB-CE2 4.49Å; A12-F100 HydrophobicContact CB-CZ 4.44Å; A12-A110 HydrophobicContact CB-CB 3.87Å; A12-P114 CarbonylContact O-C 3.53Å; A12-P114 VanDerWaalsContact O-CA 3.29Å; A12-P114 WeakPolarHBondContact O-CA 3.12Å; A12-I115 PolarHBondContact O-N 3.17Å
13R95Very high77.2Confident35 Ų3576 Ų7613%0.13241%0.409CS..EExtended strand (participates in β ladder)trans-108.1134.9168.3-68.3-172-71.9-99.6-0.8109.8G54 L56 D59 L90 V91 I115R13-G54 PolarHBondContact NE-O 3.22Å; R13-L56 VanDerWaalsContact CZ-CD1 3.49Å; R13-L56 VanDerWaalsContact NH1-CD1 3.33Å; R13-L56 VanDerWaalsContact NH2-CD1 3.28Å; R13-D59 IonicContact CZ-OD1 3.59Å; R13-D59 IonicContact CZ-OD2 3.21Å; R13-D59 IonicContact NE-OD2 3.73Å; R13-D59 IonicContact NH2-OD1 2.68Å; R13-D59 PolarHBondContact NH2-OD1 3.28Å; R13-D59 IonicContact NH2-OD2 2.9Å; R13-D59 PolarHBondContact NH2-OD2 3.27Å; R13-L90 CarbonylContact O-C 3.55Å; R13-L90 WeakPolarHBondContact O-CA 3.28Å; R13-V91 HydrophobicContact CB-CG2 3.83Å; R13-V91 PolarHBondContact N-O 2.95Å; R13-V91 PolarHBondContact O-N 3.44Å; R13-I115 CarbonylContact C-O 3.49Å; R13-I115 VanDerWaalsContact CA-O 3.29Å; R13-I115 WeakPolarHBondContact CA-O 3.46Å; R13-I115 HydrophobicContact CG-CB 4.2Å
14L96.1Very high79Confident47 Ų4772.9 Ų72.925%0.24641%0.407CS..EExtended strand (participates in β ladder)trans-102.199.6168.2-178.361.3000107.3M89 L90 P114 I115 L116 C117L14-M89 CarbonylContact C-O 3.47Å; L14-M89 WeakPolarHBondContact CA-O 3.46Å; L14-L90 HydrophobicContact CB-CD1 4.46Å; L14-L90 HydrophobicContact CD1-CD1 4.5Å; L14-P114 HydrophobicContact CB-CB 4.05Å; L14-P114 HydrophobicContact CB-CG 4.25Å; L14-I115 PolarHBondContact N-O 2.88Å; L14-L116 HydrophobicContact CB-CD1 4.33Å; L14-L116 HydrophobicContact CD2-CD1 4.08Å; L14-L116 HydrophobicContact CG-CD1 4.18Å; L14-C117 PolarHBondContact O-N 3.29Å
15C95.4Very high80.9Confident0 Ų069.4 Ų69.40%039%0.388CS..EExtended strand (participates in β ladder)trans-95.3117.1-176.1-64.70000109.9L17 G53 L55 E88 M89 C117C15-L17 HydrophobicContact CB-CD2 4.45Å; C15-G53 VanDerWaalsContact CB-O 3.29Å; C15-G53 WeakPolarHBondContact CB-O 2.97Å; C15-G53 PolarHBondContact SG-O 2.81Å; C15-L55 HydrophobicContact CB-CD2 3.98Å; C15-L55 HydrophobicContact CB-CG 4.26Å; C15-E88 CarbonylContact O-C 3.6Å; C15-E88 WeakPolarHBondContact O-CA 3.36Å; C15-M89 PolarHBondContact N-O 3.21Å; C15-M89 PolarHBondContact O-N 3.16Å; C15-C117 CarbonylContact C-O 3.57Å; C15-C117 WeakPolarHBondContact CA-O 3.12Å
16H94Very high82.9Confident30 Ų3066.1 Ų66.114%0.13936%0.356CS..EExtended strand (participates in β ladder)trans-99.3107173.5-175.8-174.2000109.5V87 C117 E118 T119H16-V87 WeakPolarHBondContact CA-O 3.26Å; H16-C117 PolarHBondContact N-O 3.2Å; H16-E118 HydrophobicContact CB-CG 4.26Å; H16-T119 WeakPolarHBondContact O-CB 3.33Å; H16-T119 PolarHBondContact O-N 3.16Å; H16-T119 PolarHBondContact O-OG1 3.47Å
17L92.3Very high84.9Confident0 Ų060.2 Ų60.20%033%0.33CS..EExtended strand (participates in β ladder)trans-96132.9179.1-52.1-168.5000111.5C15 Y26 F28 L55 D86 V87 M89 T119C15-L17 HydrophobicContact CB-CD2 4.45Å; L17-Y26 HydrophobicContact CB-CD1 3.67Å; L17-Y26 HydrophobicContact CB-CE1 3.77Å; L17-Y26 HydrophobicContact CD1-CD1 3.98Å; L17-Y26 HydrophobicContact CD1-CG 4.14Å; L17-F28 HydrophobicContact CD1-CE1 4.08Å; L17-L55 HydrophobicContact CD1-CD1 3.63Å; L17-L55 HydrophobicContact CD1-CG 4.44Å; L17-L55 HydrophobicContact CD2-CD1 4.38Å; L17-L55 HydrophobicContact CD2-CG 4.35Å; L17-L55 HydrophobicContact CG-CD1 4.47Å; L17-D86 WeakPolarHBondContact O-CA 3.47Å; L17-V87 PolarHBondContact N-O 2.82Å; L17-V87 PolarHBondContact O-N 3.15Å; L17-M89 HydrophobicContact CD1-CE 3.42Å; L17-M89 VanDerWaalsContact CD1-CE 3.42Å; L17-M89 HydrophobicContact CD1-SD 4.48Å; L17-M89 HydrophobicContact CG-CE 4.15Å; L17-T119 WeakPolarHBondContact CA-OG1 3.36Å
18K89.7Confident86.9Confident96 Ų9656.7 Ų56.742%0.41730%0.301SS..EExtended strand (participates in β ladder)trans-122135.3171.5-66.4177.3-176.71680109.3W20 P49K18-W20 PolarHBondContact O-N 3.24Å; K18-P49 WeakPolarHBondContact O-CB 3.29Å
19L86.6Confident88.6Confident79 Ų7952.8 Ų52.841%0.41429%0.287SS..  trans-63.4134.3172.3-66.7174.3000110G25 Y26 S85L19-G25 VanDerWaalsContact CD2-C 3.49Å; L19-G25 WeakPolarHBondContact CD2-O 3.44Å; L19-Y26 HydrophobicContact CD2-CD1 3.78Å; L19-Y26 HydrophobicContact CD2-CD2 4.19Å; L19-Y26 HydrophobicContact CD2-CE1 3.52Å; L19-Y26 HydrophobicContact CD2-CE2 3.95Å; L19-Y26 HydrophobicContact CD2-CG 4.09Å; L19-Y26 HydrophobicContact CG-CD1 4.47Å; L19-Y26 HydrophobicContact CG-CE1 3.76Å; L19-S85 PolarHBondContact N-O 2.85Å
20W84.9Confident89.6Confident19 Ų1947.7 Ų47.77%0.07226%0.259CS..  trans-93.9139.5172.8-63.5-14.4000110K18 N22 F23 L47 P49 T119 E121 L124K18-W20 PolarHBondContact O-N 3.24Å; W20-N22 PolarHBondContact O-N 3.1Å; W20-N22 VanDerWaalsContact O-N 3.17Å; W20-F23 HydrophobicContact CB-CB 3.97Å; W20-F23 HydrophobicContact CE3-CB 4.31Å; W20-F23 PolarHBondContact O-N 3.29Å; W20-F23 VanDerWaalsContact O-N 3.16Å; W20-F23 VanDerWaalsContact O-O 3.05Å; W20-L47 WeakPolarHBondContact CZ3-O 3.32Å; W20-P49 HydrophobicContact CB-CG 4.34Å; W20-P49 HydrophobicContact CD2-CB 4.47Å; W20-P49 HydrophobicContact CD2-CG 3.71Å; W20-P49 HydrophobicContact CE3-CG 4.02Å; W20-P49 HydrophobicContact CG-CG 3.84Å; W20-T119 HydrophobicContact CZ2-CG2 3.56Å; W20-E121 HydrophobicContact CB-CG 4.36Å; W20-E121 HydrophobicContact CD2-CB 4.18Å; W20-E121 HydrophobicContact CD2-CG 3.86Å; W20-E121 HydrophobicContact CE3-CG 4.46Å; W20-E121 HydrophobicContact CG-CB 4.1Å; W20-E121 HydrophobicContact CG-CG 3.81Å; W20-E121 HydrophobicContact CZ2-CB 4.42Å; W20-L124 HydrophobicContact CH2-CB 4.39Å; W20-L124 HydrophobicContact CH2-CD2 3.48Å; W20-L124 VanDerWaalsContact CH2-CD2 3.48Å; W20-L124 HydrophobicContact CZ3-CD2 3.41Å; W20-L124 VanDerWaalsContact CZ3-CD2 3.41Å
21P80.8Confident90Very high112 Ų11249.9 Ų49.973%0.72727%0.266SS*.THydrogen-bonded Turntrans-58.5-30.1178.8-23.834.3000113.6E121P21-E121 WeakPolarHBondContact CD-OE2 3.32Å
22N81.4Confident90.1Very high145 Ų14548 Ų4878%0.77526%0.264SS*.THydrogen-bonded Turntrans-989-176.8-58.7-54.6000113.6W20W20-N22 PolarHBondContact O-N 3.1Å; W20-N22 VanDerWaalsContact O-N 3.17Å
23F82.7Confident89.9Confident47 Ų4750 Ų5021%0.20627%0.274CS..SBendtrans-130.5131.9-179.7-165.5-79000110.7W20 G25 E45 S48 P49W20-F23 HydrophobicContact CB-CB 3.97Å; W20-F23 HydrophobicContact CE3-CB 4.31Å; W20-F23 PolarHBondContact O-N 3.29Å; W20-F23 VanDerWaalsContact O-N 3.16Å; W20-F23 VanDerWaalsContact O-O 3.05Å; F23-G25 WeakPolarHBondContact CD1-O 3.24Å; F23-G25 PolarHBondContact O-N 2.77Å; F23-E45 HydrophobicContact CZ-CB 4.43Å; F23-E45 WeakPolarHBondContact CZ-OE2 3.38Å; F23-S48 VanDerWaalsContact CZ-CB 3.44Å; F23-P49 HydrophobicContact CB-CG 4.46Å; F23-P49 HydrophobicContact CD1-CG 4.15Å; F23-P49 HydrophobicContact CG-CG 4.35Å
24S84.1Confident89.4Confident114 Ų11452.8 Ų52.880%0.79730%0.299SS*.SBendtrans-82.3100.3179.7177.30000111.2
25G87.9Confident88.9Confident33 Ų3356.6 Ų56.634%0.3432%0.324SS..SBendtrans87-152.3178.200000112.7L19 F23L19-G25 VanDerWaalsContact CD2-C 3.49Å; L19-G25 WeakPolarHBondContact CD2-O 3.44Å; F23-G25 WeakPolarHBondContact CD1-O 3.24Å; F23-G25 PolarHBondContact O-N 2.77Å
26Y91.1Very high88.5Confident23 Ų2362.3 Ų62.39%0.0935%0.349CS..  trans-98.8-17.8-178.9-64.6-69.6000113.5L17 L19 F28 P49 S50 I81 R84 S85 V87L17-Y26 HydrophobicContact CB-CD1 3.67Å; L17-Y26 HydrophobicContact CB-CE1 3.77Å; L17-Y26 HydrophobicContact CD1-CD1 3.98Å; L17-Y26 HydrophobicContact CD1-CG 4.14Å; L19-Y26 HydrophobicContact CD2-CD1 3.78Å; L19-Y26 HydrophobicContact CD2-CD2 4.19Å; L19-Y26 HydrophobicContact CD2-CE1 3.52Å; L19-Y26 HydrophobicContact CD2-CE2 3.95Å; L19-Y26 HydrophobicContact CD2-CG 4.09Å; L19-Y26 HydrophobicContact CG-CD1 4.47Å; L19-Y26 HydrophobicContact CG-CE1 3.76Å; Y26-F28 HydrophobicContact CD2-CE1 4.1Å; Y26-F28 HydrophobicContact CG-CE1 4.09Å; Y26-P49 HydrophobicContact CD1-CB 4.33Å; Y26-P49 WeakPolarHBondContact O-CD 3.46Å; Y26-S50 VanDerWaalsContact C-OG 3.27Å; Y26-S50 VanDerWaalsContact O-CB 3.26Å; Y26-S50 WeakPolarHBondContact O-CB 3.3Å; Y26-S50 PolarHBondContact O-N 3.21Å; Y26-S50 PolarHBondContact O-OG 3.33Å; Y26-I81 HydrophobicContact CD2-CG2 4.33Å; Y26-I81 HydrophobicContact CE2-CG2 4.01Å; Y26-R84 PolarHBondContact OH-O 3.45Å; Y26-S85 PolarHBondContact OH-O 2.74Å; Y26-V87 HydrophobicContact CE2-CG2 4.22Å; Y26-V87 VanDerWaalsContact OH-CG2 3.28Å; Y26-V87 WeakPolarHBondContact OH-CG2 3.31Å
27G91.6Very high88.1Confident7 Ų765.8 Ų65.87%0.07237%0.365CS..SBendtrans78.138.9-177.600000113.7V44 E45G27-V44 CarbonylContact O-C 3.58Å; G27-V44 WeakPolarHBondContact O-CA 3.38Å; G27-E45 PolarHBondContact O-N 3.04Å
28F94.2Very high88.1Confident34 Ų3466.3 Ų66.315%0.14937%0.368CS..  trans-143.7158.6168.576.9-78.4000110.9L17 Y26 L30 V41 V44 S50 L55 I81 M89L17-F28 HydrophobicContact CD1-CE1 4.08Å; Y26-F28 HydrophobicContact CD2-CE1 4.1Å; Y26-F28 HydrophobicContact CG-CE1 4.09Å; F28-L30 HydrophobicContact CE2-CB 4.42Å; F28-L30 HydrophobicContact CE2-CD1 4.44Å; F28-V41 HydrophobicContact CB-CG1 4.08Å; F28-V41 HydrophobicContact CD2-CG1 3.94Å; F28-V41 HydrophobicContact CD2-CG2 4.36Å; F28-V41 HydrophobicContact CG-CG1 4.31Å; F28-V44 HydrophobicContact CB-CG2 4.15Å; F28-S50 WeakPolarHBondContact CD1-OG 3.46Å; F28-L55 HydrophobicContact CD1-CD1 4.23Å; F28-L55 HydrophobicContact CE1-CD1 4.39Å; F28-L55 HydrophobicContact CG-CD1 4.31Å; F28-I81 HydrophobicContact CZ-CD1 4.35Å; F28-M89 HydrophobicContact CE1-CE 3.97Å; F28-M89 HydrophobicContact CZ-CE 3.75Å; F28-M89 HydrophobicContact CZ-SD 4.33Å
29S92.6Very high88.3Confident35 Ų3561.9 Ų61.925%0.24535%0.348CS..EExtended strand (participates in β ladder)trans-106.5143.8171.8-67.40000111.1E42S29-E42 WeakPolarHBondContact CA-O 3.31Å; S29-E42 WeakPolarHBondContact CB-O 3.35Å; S29-E42 PolarHBondContact N-O 3.47Å; S29-E42 PolarHBondContact O-N 3.02Å; S29-E42 VanDerWaalsContact O-O 3.08Å
30L93.9Very high88.7Confident28 Ų2859.9 Ų59.915%0.14734%0.336CS..EExtended strand (participates in β ladder)trans-105.7123.4176.6-171.270.9000110.2F28 H39 I61 H74 V77 V78 I81F28-L30 HydrophobicContact CE2-CB 4.42Å; F28-L30 HydrophobicContact CE2-CD1 4.44Å; L30-H39 HydrophobicContact CD1-CB 4.16Å; L30-I61 HydrophobicContact CD1-CD1 3.5Å; L30-H74 PolarHBondContact O-CE1 2.96Å; L30-H74 VanDerWaalsContact O-CE1 3.25Å; L30-V77 HydrophobicContact CD2-CB 4.2Å; L30-V77 HydrophobicContact CD2-CG1 3.68Å; L30-V78 HydrophobicContact CD2-CG2 3.97Å; L30-I81 HydrophobicContact CD2-CD1 4.35Å
31R92.6Very high89.1Confident80 Ų8059 Ų5930%0.30233%0.333SS..EExtended strand (participates in β ladder)trans-103.6142.4167.6-177.3175.5-59.4-67.4-10.5109.4H39 K40 E42 T179R31-H39 CarbonylContact O-C 3.58Å; R31-H39 WeakPolarHBondContact O-CA 3.36Å; R31-K40 HydrophobicContact CB-CB 4.42Å; R31-K40 PolarHBondContact N-O 3.33Å; R31-K40 PolarHBondContact O-N 3.41Å; R31-E42 HydrophobicContact CB-CG 4.34Å; R31-E42 WeakPolarHBondContact CD-OE1 3.34Å; R31-E42 IonicContact CZ-OE1 3.16Å; R31-E42 IonicContact CZ-OE2 3.42Å; R31-E42 IonicContact NE-OE1 2.83Å; R31-E42 PolarHBondContact NE-OE1 2.62Å; R31-E42 IonicContact NE-OE2 2.77Å; R31-E42 PolarHBondContact NE-OE2 3.36Å; R31-E42 IonicContact NH2-OE1 2.7Å; R31-E42 IonicContact NH2-OE2 2.74Å; R31-E42 PolarHBondContact NH2-OE2 2.88Å; R31-T179 PolarHBondContact NH1-O 2.87Å
32T91.6Very high89.6Confident42 Ų4256.4 Ų56.426%0.25831%0.311SS..EExtended strand (participates in β ladder)trans-119.3123172.8-58.20000109.4H39 H74T32-H39 WeakPolarHBondContact CG2-CE1 3.4Å; T32-H39 WeakPolarHBondContact CG2-ND1 3.38Å; T32-H39 PolarHBondContact OG1-ND1 2.99Å; T32-H74 HydrophobicContact CG2-CB 4.4Å; T32-H74 PolarHBondContact OG1-ND1 3.12Å
33D90.2Very high90Very high44 Ų4453.9 Ų53.924%0.23530%0.298CS..EExtended strand (participates in β ladder)trans-89.3102.4173.6-173.3-28.2000108V35 K36 H37 E38 K40D33-V35 PolarHBondContact O-N 3.49Å; D33-V35 PolarHBondContact OD1-N 3.46Å; D33-K36 HydrophobicContact CB-CB 4.35Å; D33-K36 PolarHBondContact O-N 3.1Å; D33-K36 PolarHBondContact OD1-N 2.96Å; D33-H37 VanDerWaalsContact O-CA 3.24Å; D33-H37 WeakPolarHBondContact O-CA 3.12Å; D33-H37 PolarHBondContact O-N 3.46Å; D33-E38 HydrophobicContact CB-CB 4.38Å; D33-E38 PolarHBondContact N-O 3.11Å; D33-E38 PolarHBondContact O-N 3.45Å; D33-K40 IonicContact OD2-NZ 2.68Å; D33-K40 PolarHBondContact OD2-NZ 2.96Å
34S84.1Confident90.4Very high93 Ų9352.3 Ų52.365%0.6529%0.292SS*.THydrogen-bonded Turntrans-67.9-20.1-177.6570000113.5H37S34-H37 PolarHBondContact O-CE1 3.24Å
35V85.8Confident90.5Very high127 Ų12750.9 Ų50.977%0.7727%0.273SS*.THydrogen-bonded Turntrans-82.9-40.9179.5-1790000110.3D33D33-V35 PolarHBondContact O-N 3.49Å; D33-V35 PolarHBondContact OD1-N 3.46Å
36K86.1Confident90.3Very high120 Ų12051.9 Ų51.952%0.52227%0.273SS..THydrogen-bonded Turntrans-91.1-7.7178.4-62.8-172.3177-171.50114D33 E38D33-K36 HydrophobicContact CB-CB 4.35Å; D33-K36 PolarHBondContact O-N 3.1Å; D33-K36 PolarHBondContact OD1-N 2.96Å; K36-E38 HydrophobicContact CB-CB 4.19Å; K36-E38 HydrophobicContact CB-CG 3.79Å; K36-E38 WeakPolarHBondContact CD-OE2 3.28Å; K36-E38 PolarHBondContact O-N 2.92Å
37H86.7Confident89.9Confident104 Ų10453.3 Ų53.348%0.48128%0.282SS..THydrogen-bonded Turntrans50.838.6-168.7-59.3-69.9000112.4D33 S34D33-H37 VanDerWaalsContact O-CA 3.24Å; D33-H37 WeakPolarHBondContact O-CA 3.12Å; D33-H37 PolarHBondContact O-N 3.46Å; S34-H37 PolarHBondContact O-CE1 3.24Å
38E92Very high89.7Confident11 Ų1153 Ų535%0.05128%0.279CS..EExtended strand (participates in β ladder)trans-107.9129.7-178.1-73.3169.1-179.200110.4D33 K36 K40 I60 R101D33-E38 HydrophobicContact CB-CB 4.38Å; D33-E38 PolarHBondContact N-O 3.11Å; D33-E38 PolarHBondContact O-N 3.45Å; K36-E38 HydrophobicContact CB-CB 4.19Å; K36-E38 HydrophobicContact CB-CG 3.79Å; K36-E38 WeakPolarHBondContact CD-OE2 3.28Å; K36-E38 PolarHBondContact O-N 2.92Å; E38-K40 WeakPolarHBondContact OE2-CE 3.26Å; E38-K40 IonicContact OE2-NZ 2.81Å; E38-K40 PolarHBondContact OE2-NZ 3.2Å; E38-I60 HydrophobicContact CB-CG2 4.2Å; E38-I60 HydrophobicContact CG-CG2 4.19Å; E38-R101 IonicContact OE1-CZ 3Å; E38-R101 VanDerWaalsContact OE1-CZ 3.22Å; E38-R101 IonicContact OE1-NH1 2.95Å; E38-R101 PolarHBondContact OE1-NH1 3.01Å; E38-R101 IonicContact OE1-NH2 3.76Å; E38-R101 PolarHBondContact OE1-NH2 3.39Å
39H94.5Very high89.5Confident2 Ų251.4 Ų51.41%0.00927%0.272CS..EExtended strand (participates in β ladder)trans-96.2118.3172-58.2-78.1000109.4L30 R31 T32 I60 I61 V69 L72 V77L30-H39 HydrophobicContact CD1-CB 4.16Å; R31-H39 CarbonylContact O-C 3.58Å; R31-H39 WeakPolarHBondContact O-CA 3.36Å; T32-H39 WeakPolarHBondContact CG2-CE1 3.4Å; T32-H39 WeakPolarHBondContact CG2-ND1 3.38Å; T32-H39 PolarHBondContact OG1-ND1 2.99Å; H39-I60 CarbonylContact O-C 3.54Å; H39-I60 WeakPolarHBondContact O-CA 3.48Å; H39-I61 HydrophobicContact CB-CB 4.33Å; H39-I61 PolarHBondContact O-N 2.99Å; H39-V69 PolarHBondContact NE2-O 3.21Å; H39-L72 PolarHBondContact CE1-O 3.48Å; H39-L72 PolarHBondContact NE2-O 2.92Å; H39-V77 VanDerWaalsContact CE1-CG2 3.43Å; H39-V77 WeakPolarHBondContact CE1-CG2 3.33Å; H39-V77 WeakPolarHBondContact NE2-CG2 3.46Å
40K94Very high89.4Confident37 Ų3749.7 Ų49.716%0.16126%0.26CS..EExtended strand (participates in β ladder)trans-112.5134-173.1-75.6167-177.3146.90111.7R31 D33 E38 D59 I60R31-K40 HydrophobicContact CB-CB 4.42Å; R31-K40 PolarHBondContact N-O 3.33Å; R31-K40 PolarHBondContact O-N 3.41Å; D33-K40 IonicContact OD2-NZ 2.68Å; D33-K40 PolarHBondContact OD2-NZ 2.96Å; E38-K40 WeakPolarHBondContact OE2-CE 3.26Å; E38-K40 IonicContact OE2-NZ 2.81Å; E38-K40 PolarHBondContact OE2-NZ 3.2Å; K40-D59 CarbonylContact C-O 3.54Å; K40-D59 WeakPolarHBondContact CA-O 3.08Å; K40-I60 HydrophobicContact CG-CG1 3.9Å
41V93.8Very high89.2Confident0 Ų049.8 Ų49.80%026%0.26CS..EExtended strand (participates in β ladder)trans-78.2133.4170.1179.70000109.1F28 V44 L55 G58 D59 I61F28-V41 HydrophobicContact CB-CG1 4.08Å; F28-V41 HydrophobicContact CD2-CG1 3.94Å; F28-V41 HydrophobicContact CD2-CG2 4.36Å; F28-V41 HydrophobicContact CG-CG1 4.31Å; V41-V44 HydrophobicContact CG1-CG2 3.52Å; V41-L55 HydrophobicContact CG1-CD1 4.45Å; V41-L55 HydrophobicContact CG2-CD2 4.36Å; V41-G58 WeakPolarHBondContact O-CA 3.46Å; V41-G58 PolarHBondContact O-N 2.78Å; V41-D59 HydrophobicContact CB-CB 4Å; V41-D59 HydrophobicContact CG2-CB 3.97Å; V41-D59 PolarHBondContact N-O 3Å; V41-I61 HydrophobicContact CG2-CD1 4.04Å; V41-I61 HydrophobicContact CG2-CG1 3.97Å
42E91.7Very high88.9Confident58 Ų5848 Ų4827%0.27126%0.259SS..EExtended strand (participates in β ladder)trans-139161.1175.1-67.6-170163.700110S29 R31 V44S29-E42 WeakPolarHBondContact CA-O 3.31Å; S29-E42 WeakPolarHBondContact CB-O 3.35Å; S29-E42 PolarHBondContact N-O 3.47Å; S29-E42 PolarHBondContact O-N 3.02Å; S29-E42 VanDerWaalsContact O-O 3.08Å; R31-E42 HydrophobicContact CB-CG 4.34Å; R31-E42 WeakPolarHBondContact CD-OE1 3.34Å; R31-E42 IonicContact CZ-OE1 3.16Å; R31-E42 IonicContact CZ-OE2 3.42Å; R31-E42 IonicContact NE-OE1 2.83Å; R31-E42 PolarHBondContact NE-OE1 2.62Å; R31-E42 IonicContact NE-OE2 2.77Å; R31-E42 PolarHBondContact NE-OE2 3.36Å; R31-E42 IonicContact NH2-OE1 2.7Å; R31-E42 IonicContact NH2-OE2 2.74Å; R31-E42 PolarHBondContact NH2-OE2 2.88Å; E42-V44 VanDerWaalsContact C-N 3.29Å; E42-V44 PolarHBondContact O-N 3.44Å
43N89Confident88.9Confident93 Ų9346 Ų4650%0.49725%0.247SC..  trans50.747.3173.4-157.974.6000113E45 N57N43-E45 PolarHBondContact O-N 3.31Å; N43-N57 PolarHBondContact N-OD1 3.38Å
44V90.3Very high88.9Confident14 Ų1444.8 Ų44.89%0.08525%0.245CC..PPolyproline II helixtrans-62.4117.9168.3177.90000107.5G27 F28 V41 E42 E51 L55 N57G27-V44 CarbonylContact O-C 3.58Å; G27-V44 WeakPolarHBondContact O-CA 3.38Å; F28-V44 HydrophobicContact CB-CG2 4.15Å; V41-V44 HydrophobicContact CG1-CG2 3.52Å; E42-V44 VanDerWaalsContact C-N 3.29Å; E42-V44 PolarHBondContact O-N 3.44Å; V44-E51 HydrophobicContact CG1-CB 3.95Å; V44-L55 HydrophobicContact CG2-CB 4.32Å; V44-N57 VanDerWaalsContact CB-OD1 3.3Å; V44-N57 WeakPolarHBondContact CB-OD1 3.4Å; V44-N57 VanDerWaalsContact CG2-OD1 3.26Å; V44-N57 WeakPolarHBondContact CG2-OD1 3.19Å; V44-N57 PolarHBondContact N-OD1 3.05Å
45E87.1Confident89.3Confident84 Ų8440.5 Ų40.539%0.39322%0.215SC..PPolyproline II helixtrans-79.6140.2-177.8-67.9-178.4-168.200110.2F23 G27 N43 S48F23-E45 HydrophobicContact CZ-CB 4.43Å; F23-E45 WeakPolarHBondContact CZ-OE2 3.38Å; G27-E45 PolarHBondContact O-N 3.04Å; N43-E45 PolarHBondContact O-N 3.31Å; E45-S48 WeakPolarHBondContact O-CB 3.41Å; E45-S48 PolarHBondContact O-OG 2.9Å
46P83.3Confident89.5Confident53 Ų5336 Ų3634%0.34419%0.186SC..THydrogen-bonded Turntrans-68147.3176.928.9-34.3000111S48 E51 K136P46-S48 PolarHBondContact O-N 3.25Å; P46-E51 WeakPolarHBondContact CA-OE1 3.37Å; P46-K136 HydrophobicContact CB-CD 4.09Å; P46-K136 HydrophobicContact CB-CG 3.84Å; P46-K136 HydrophobicContact CG-CD 4.35Å
47L83.4Confident89.7Confident54 Ų5431.9 Ų31.928%0.28317%0.17SC..THydrogen-bonded Turntrans55.835.9-177.4-48.6-177.2000112.2W20 E51 L124 K132W20-L47 WeakPolarHBondContact CZ3-O 3.32Å; L47-E51 PolarHBondContact N-OE2 2.7Å; L47-L124 HydrophobicContact CB-CD2 4.16Å; L47-L124 HydrophobicContact CD2-CD1 3.9Å; L47-K132 HydrophobicContact CD1-CB 4.34Å
48S87.7Confident89.9Confident0 Ų027.9 Ų27.90%016%0.157CC..SBendtrans-107.9163.4177.373.30000111.7F23 E45 P46 S50 E51 S52F23-S48 VanDerWaalsContact CZ-CB 3.44Å; E45-S48 WeakPolarHBondContact O-CB 3.41Å; E45-S48 PolarHBondContact O-OG 2.9Å; P46-S48 PolarHBondContact O-N 3.25Å; S48-S50 PolarHBondContact O-N 3.14Å; S48-S50 PolarHBondContact OG-N 3.44Å; S48-E51 PolarHBondContact O-N 2.79Å; S48-E51 PolarHBondContact OG-N 3.38Å; S48-S52 PolarHBondContact O-N 2.58Å
49P88.6Confident90.1Very high0 Ų027.3 Ų27.30%015%0.154CC..Hα-helixtrans-53.2-35.5170.2-28.735.1000113.7K18 W20 F23 Y26 G53 T119K18-P49 WeakPolarHBondContact O-CB 3.29Å; W20-P49 HydrophobicContact CB-CG 4.34Å; W20-P49 HydrophobicContact CD2-CB 4.47Å; W20-P49 HydrophobicContact CD2-CG 3.71Å; W20-P49 HydrophobicContact CE3-CG 4.02Å; W20-P49 HydrophobicContact CG-CG 3.84Å; F23-P49 HydrophobicContact CB-CG 4.46Å; F23-P49 HydrophobicContact CD1-CG 4.15Å; F23-P49 HydrophobicContact CG-CG 4.35Å; Y26-P49 HydrophobicContact CD1-CB 4.33Å; Y26-P49 WeakPolarHBondContact O-CD 3.46Å; P49-G53 PolarHBondContact O-N 3.38Å; P49-T119 HydrophobicContact CB-CG2 4.08Å; P49-T119 PolarHBondContact O-OG1 2.75Å
50S91.9Very high90.1Very high0 Ų027.5 Ų27.50%016%0.155CC..Hα-helixtrans-68.9-45-179.1-63.50000112.5Y26 F28 S48 G53 G54 L55Y26-S50 VanDerWaalsContact C-OG 3.27Å; Y26-S50 VanDerWaalsContact O-CB 3.26Å; Y26-S50 WeakPolarHBondContact O-CB 3.3Å; Y26-S50 PolarHBondContact O-N 3.21Å; Y26-S50 PolarHBondContact O-OG 3.33Å; F28-S50 WeakPolarHBondContact CD1-OG 3.46Å; S48-S50 PolarHBondContact O-N 3.14Å; S48-S50 PolarHBondContact OG-N 3.44Å; S50-G53 CarbonylContact O-C 3.59Å; S50-G53 PolarHBondContact O-N 3.24Å; S50-G54 PolarHBondContact O-N 3.44Å; S50-L55 WeakPolarHBondContact O-CB 3.44Å; S50-L55 PolarHBondContact O-N 2.6Å
51E88.8Confident90.2Very high30 Ų3026 Ų2614%0.1415%0.149CC..Hα-helixtrans-64.1-47.7176.7-178-179.9-103.700110.6V44 P46 L47 S48 G53 G54 S139V44-E51 HydrophobicContact CG1-CB 3.95Å; P46-E51 WeakPolarHBondContact CA-OE1 3.37Å; L47-E51 PolarHBondContact N-OE2 2.7Å; S48-E51 PolarHBondContact O-N 2.79Å; S48-E51 PolarHBondContact OG-N 3.38Å; E51-G53 VanDerWaalsContact C-N 3.28Å; E51-G53 PolarHBondContact O-N 2.76Å; E51-G54 PolarHBondContact O-N 2.93Å; E51-S139 WeakPolarHBondContact OE1-CB 3.17Å; E51-S139 PolarHBondContact OE1-OG 3.21Å
52S87.3Confident90.3Very high42 Ų4226.8 Ų26.829%0.29415%0.153SC..Hα-helixtrans-61.3-37.8176.8173.50000111.9S48 G54 S120S48-S52 PolarHBondContact O-N 2.58Å; S52-G54 PolarHBondContact O-N 2.83Å; S52-S120 PolarHBondContact OG-N 2.81Å; S52-S120 VanDerWaalsContact OG-N 3.16Å
53G90.6Very high90.4Very high0 Ų025.1 Ų25.10%015%0.145CC..THydrogen-bonded Turntrans-756.5173.600000115.1C15 P49 S50 E51 L55 C117 T119C15-G53 VanDerWaalsContact CB-O 3.29Å; C15-G53 WeakPolarHBondContact CB-O 2.97Å; C15-G53 PolarHBondContact SG-O 2.81Å; P49-G53 PolarHBondContact O-N 3.38Å; S50-G53 CarbonylContact O-C 3.59Å; S50-G53 PolarHBondContact O-N 3.24Å; E51-G53 VanDerWaalsContact C-N 3.28Å; E51-G53 PolarHBondContact O-N 2.76Å; G53-L55 PolarHBondContact O-N 2.88Å; G53-C117 WeakPolarHBondContact O-CB 3.4Å; G53-T119 WeakPolarHBondContact CA-OG1 3.43Å
54G89.5Confident90.8Very high19 Ų1920.7 Ų20.720%0.19612%0.122CC..THydrogen-bonded Turntrans75.717.6173.700000115.4R13 S50 E51 S52R13-G54 PolarHBondContact NE-O 3.22Å; S50-G54 PolarHBondContact O-N 3.44Å; E51-G54 PolarHBondContact O-N 2.93Å; S52-G54 PolarHBondContact O-N 2.83Å
55L92.5Very high90.9Very high3 Ų320.6 Ų20.62%0.01612%0.121CC..  trans-72.5139.6169.8-75.7-175.7000110.7C15 L17 F28 V41 V44 S50 G53 M89 V91C15-L55 HydrophobicContact CB-CD2 3.98Å; C15-L55 HydrophobicContact CB-CG 4.26Å; L17-L55 HydrophobicContact CD1-CD1 3.63Å; L17-L55 HydrophobicContact CD1-CG 4.44Å; L17-L55 HydrophobicContact CD2-CD1 4.38Å; L17-L55 HydrophobicContact CD2-CG 4.35Å; L17-L55 HydrophobicContact CG-CD1 4.47Å; F28-L55 HydrophobicContact CD1-CD1 4.23Å; F28-L55 HydrophobicContact CE1-CD1 4.39Å; F28-L55 HydrophobicContact CG-CD1 4.31Å; V41-L55 HydrophobicContact CG1-CD1 4.45Å; V41-L55 HydrophobicContact CG2-CD2 4.36Å; V44-L55 HydrophobicContact CG2-CB 4.32Å; S50-L55 WeakPolarHBondContact O-CB 3.44Å; S50-L55 PolarHBondContact O-N 2.6Å; G53-L55 PolarHBondContact O-N 2.88Å; L55-M89 HydrophobicContact CD1-SD 4.42Å; L55-V91 HydrophobicContact CD2-CB 4.47Å; L55-V91 HydrophobicContact CD2-CG1 3.78Å; L55-V91 HydrophobicContact CD2-CG2 4Å
56L91.1Very high91.1Very high31 Ų3124.6 Ų24.616%0.16214%0.137CC..  trans-123.1154.3177.8-57.3-178.5000111.5R13 G58 D59 Y146R13-L56 VanDerWaalsContact CZ-CD1 3.49Å; R13-L56 VanDerWaalsContact NH1-CD1 3.33Å; R13-L56 VanDerWaalsContact NH2-CD1 3.28Å; L56-G58 PolarHBondContact O-N 3.02Å; L56-D59 PolarHBondContact N-OD2 3.44Å; L56-D59 VanDerWaalsContact O-CB 3.32Å; L56-D59 WeakPolarHBondContact O-CB 3.01Å; L56-D59 PolarHBondContact O-N 3.28Å; L56-Y146 HydrophobicContact CD1-CD2 4.29Å; L56-Y146 HydrophobicContact CD1-CE2 3.48Å; L56-Y146 VanDerWaalsContact CD1-CE2 3.48Å
57N90.6Very high91.6Very high34 Ų3426.7 Ų26.718%0.18214%0.141CC..THydrogen-bonded Turntrans-60.3132.9173.9-76.26.5000111.1N43 V44 Q93N43-N57 PolarHBondContact N-OD1 3.38Å; V44-N57 VanDerWaalsContact CB-OD1 3.3Å; V44-N57 WeakPolarHBondContact CB-OD1 3.4Å; V44-N57 VanDerWaalsContact CG2-OD1 3.26Å; V44-N57 WeakPolarHBondContact CG2-OD1 3.19Å; V44-N57 PolarHBondContact N-OD1 3.05Å; N57-Q93 PolarHBondContact O-NE2 3.18Å
58G91.3Very high92Very high20 Ų2027.8 Ų27.821%0.20615%0.149CC..THydrogen-bonded Turntrans87.30.1-179.300000114.8V41 L56 P94V41-G58 WeakPolarHBondContact O-CA 3.46Å; V41-G58 PolarHBondContact O-N 2.78Å; L56-G58 PolarHBondContact O-N 3.02Å; G58-P94 WeakPolarHBondContact O-CD 3.34Å; G58-P94 WeakPolarHBondContact O-CG 3.39Å
59D94.1Very high92.3Very high0 Ų027.9 Ų27.90%015%0.15CC..PPolyproline II helixtrans-58.1136.7173.3-85.7-16.7000111.9R13 K40 V41 L56 V91 Q93R13-D59 IonicContact CZ-OD1 3.59Å; R13-D59 IonicContact CZ-OD2 3.21Å; R13-D59 IonicContact NE-OD2 3.73Å; R13-D59 IonicContact NH2-OD1 2.68Å; R13-D59 PolarHBondContact NH2-OD1 3.28Å; R13-D59 IonicContact NH2-OD2 2.9Å; R13-D59 PolarHBondContact NH2-OD2 3.27Å; K40-D59 CarbonylContact C-O 3.54Å; K40-D59 WeakPolarHBondContact CA-O 3.08Å; V41-D59 HydrophobicContact CB-CB 4Å; V41-D59 HydrophobicContact CG2-CB 3.97Å; V41-D59 PolarHBondContact N-O 3Å; L56-D59 PolarHBondContact N-OD2 3.44Å; L56-D59 VanDerWaalsContact O-CB 3.32Å; L56-D59 WeakPolarHBondContact O-CB 3.01Å; L56-D59 PolarHBondContact O-N 3.28Å; D59-V91 HydrophobicContact CB-CB 4.02Å; D59-V91 HydrophobicContact CB-CG1 4.49Å; D59-V91 HydrophobicContact CB-CG2 4.23Å; D59-Q93 WeakPolarHBondContact OD1-CG 3.32Å; D59-Q93 PolarHBondContact OD1-NE2 3.31Å
60I95Very high92.2Very high5 Ų532.2 Ų32.23%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-102.6120.6176.4-60.8169000107.8E38 H39 K40 V91 V92 P94 L97E38-I60 HydrophobicContact CB-CG2 4.2Å; E38-I60 HydrophobicContact CG-CG2 4.19Å; H39-I60 CarbonylContact O-C 3.54Å; H39-I60 WeakPolarHBondContact O-CA 3.48Å; K40-I60 HydrophobicContact CG-CG1 3.9Å; I60-V91 CarbonylContact O-C 3.56Å; I60-V91 VanDerWaalsContact O-CA 3.3Å; I60-V91 WeakPolarHBondContact O-CA 3.47Å; I60-V92 HydrophobicContact CB-CG2 4.21Å; I60-V92 PolarHBondContact N-O 3.36Å; I60-V92 PolarHBondContact O-N 3.38Å; I60-P94 HydrophobicContact CD1-CB 4.23Å; I60-P94 HydrophobicContact CD1-CG 4.04Å; I60-P94 HydrophobicContact CG1-CG 4.49Å; I60-L97 HydrophobicContact CB-CD2 4.39Å; I60-L97 HydrophobicContact CD1-CB 4.45Å; I60-L97 HydrophobicContact CD1-CD2 3.31Å; I60-L97 HydrophobicContact CD1-CG 4.5Å; I60-L97 HydrophobicContact CG1-CD2 4.41Å; I60-L97 HydrophobicContact CG2-CD2 4.11Å
61I96.3Very high91.9Very high5 Ų541.5 Ų41.53%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-79.8122.6179.9-50.7-179.6000108.9L30 H39 V41 V64 V69 M89 V91L30-I61 HydrophobicContact CD1-CD1 3.5Å; H39-I61 HydrophobicContact CB-CB 4.33Å; H39-I61 PolarHBondContact O-N 2.99Å; V41-I61 HydrophobicContact CG2-CD1 4.04Å; V41-I61 HydrophobicContact CG2-CG1 3.97Å; I61-V64 HydrophobicContact CG2-CG2 3.63Å; I61-V69 HydrophobicContact CB-CG2 4.3Å; I61-V69 HydrophobicContact CG2-CG2 3.92Å; I61-V69 VanDerWaalsContact O-CG2 3.31Å; I61-V69 WeakPolarHBondContact O-CG2 3.46Å; I61-M89 HydrophobicContact CD1-SD 4.12Å; I61-V91 HydrophobicContact CB-CG1 4.48Å; I61-V91 HydrophobicContact CG1-CG1 4.04Å
62L95.6Very high92Very high18 Ų1843 Ų439%0.09422%0.217CC..EExtended strand (participates in β ladder)trans-97.3-39.5176.2-60.2-176.7000111.5V69 L90 V92 L97 V106 I107 A110L62-V69 PolarHBondContact O-N 3.15Å; L62-V69 VanDerWaalsContact O-N 3.17Å; L62-L90 HydrophobicContact CB-CD2 4.31Å; L62-L90 HydrophobicContact CD1-CD2 4.37Å; L62-L90 PolarHBondContact N-O 2.53Å; L62-V92 HydrophobicContact CD1-CB 4.4Å; L62-V92 HydrophobicContact CD1-CG1 3.63Å; L62-V92 HydrophobicContact CD1-CG2 3.83Å; L62-V92 HydrophobicContact CD2-CG2 4Å; L62-V92 HydrophobicContact CG-CG1 4.42Å; L62-V92 HydrophobicContact CG-CG2 3.89Å; L62-L97 HydrophobicContact CD2-CD1 4.18Å; L62-V106 HydrophobicContact CD1-CG1 4.37Å; L62-I107 HydrophobicContact CB-CD1 3.68Å; L62-I107 HydrophobicContact CD1-CD1 4.46Å; L62-I107 HydrophobicContact CG-CD1 4.49Å; L62-A110 HydrophobicContact CD1-CB 3.83Å
63M95.5Very high92.2Very high22 Ų2243.5 Ų43.511%0.10822%0.22CC..EExtended strand (participates in β ladder)trans-143.7152179.6-57.2-179.877.800111.9K66 K67 T68 M89 L90 I107 I111M63-K66 VanDerWaalsContact CE-C 3.4Å; M63-K66 VanDerWaalsContact CE-O 3.23Å; M63-K66 WeakPolarHBondContact CE-O 3.41Å; M63-K67 CarbonylContact C-O 3.55Å; M63-K67 VanDerWaalsContact CA-O 3.24Å; M63-K67 WeakPolarHBondContact CA-O 3.28Å; M63-K67 WeakPolarHBondContact CB-O 3.5Å; M63-T68 HydrophobicContact CE-CG2 4.21Å; M63-T68 HydrophobicContact CG-CG2 4.19Å; M63-M89 WeakPolarHBondContact O-CA 3.4Å; M63-L90 HydrophobicContact CB-CB 3.94Å; M63-L90 HydrophobicContact CG-CB 4.36Å; M63-L90 HydrophobicContact CG-CD2 4.24Å; M63-L90 PolarHBondContact N-O 2.74Å; M63-L90 PolarHBondContact O-N 2.6Å; M63-L90 HydrophobicContact SD-CD2 4.02Å; M63-I107 HydrophobicContact CE-CG2 4.28Å; M63-I107 HydrophobicContact CG-CD1 4.03Å; M63-I107 HydrophobicContact CG-CG2 4.12Å; M63-I107 HydrophobicContact SD-CG2 3.36Å; M63-I107 WeakPolarHBondContact SD-CG2 3.48Å; M63-I111 HydrophobicContact CE-CD1 4.43Å; M63-I111 HydrophobicContact SD-CD1 3.61Å; M63-I111 HydrophobicContact SD-CG1 4.26Å
64V95.8Very high92.2Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-132.2127170.3-178.20000108.1I61 K66 K67 V69 V80 I81 V87 E88 M89I61-V64 HydrophobicContact CG2-CG2 3.63Å; V64-K66 VanDerWaalsContact C-N 3.26Å; V64-K66 PolarHBondContact O-N 3.14Å; V64-K67 PolarHBondContact N-O 2.73Å; V64-K67 WeakPolarHBondContact O-CB 3.47Å; V64-K67 PolarHBondContact O-N 3.22Å; V64-V69 HydrophobicContact CB-CG1 4.07Å; V64-V69 HydrophobicContact CG2-CG1 3.68Å; V64-V80 HydrophobicContact CB-CG1 4.03Å; V64-V80 HydrophobicContact CG1-CG1 3.83Å; V64-I81 HydrophobicContact CG1-CG1 3.83Å; V64-I81 HydrophobicContact CG2-CG1 4.11Å; V64-V87 HydrophobicContact CG1-CG1 3.57Å; V64-E88 CarbonylContact C-O 3.55Å; V64-E88 WeakPolarHBondContact CA-O 3.42Å; V64-M89 HydrophobicContact CG2-CG 4.33Å
65N92.8Very high92.3Very high13 Ų1348.7 Ų48.77%0.0725%0.245CC..THydrogen-bonded Turntrans49.545.7178.8-67-26.1000112.9K67 V87 E88N65-K67 PolarHBondContact O-N 2.89Å; N65-K67 VanDerWaalsContact O-N 3.12Å; N65-V87 WeakPolarHBondContact OD1-CA 3.32Å; N65-E88 PolarHBondContact N-O 3.39Å; N65-E88 PolarHBondContact OD1-N 3.37Å
66K91.4Very high92.3Very high167 Ų16751.5 Ų51.573%0.72626%0.26SS*.THydrogen-bonded Turntrans62.811.3-177.8-53172.7-174.7174.20114.7M63 V64M63-K66 VanDerWaalsContact CE-C 3.4Å; M63-K66 VanDerWaalsContact CE-O 3.23Å; M63-K66 WeakPolarHBondContact CE-O 3.41Å; V64-K66 VanDerWaalsContact C-N 3.26Å; V64-K66 PolarHBondContact O-N 3.14Å
67K93.2Very high92.4Very high98 Ų9850 Ų5043%0.42625%0.252SS..EExtended strand (participates in β ladder)trans-101.5130.3169.9-60.4174.7-175.8169.80109.2M63 V64 N65 V80 E83M63-K67 CarbonylContact C-O 3.55Å; M63-K67 VanDerWaalsContact CA-O 3.24Å; M63-K67 WeakPolarHBondContact CA-O 3.28Å; M63-K67 WeakPolarHBondContact CB-O 3.5Å; V64-K67 PolarHBondContact N-O 2.73Å; V64-K67 WeakPolarHBondContact O-CB 3.47Å; V64-K67 PolarHBondContact O-N 3.22Å; N65-K67 PolarHBondContact O-N 2.89Å; N65-K67 VanDerWaalsContact O-N 3.12Å; K67-V80 HydrophobicContact CD-CG1 4.37Å; K67-E83 IonicContact NZ-OE1 3.92Å; K67-E83 IonicContact NZ-OE2 3.81Å; K67-E83 PolarHBondContact NZ-OE2 2.73Å
68T93.3Very high92.4Very high76 Ų7649.5 Ų49.547%0.46625%0.25SS..EExtended strand (participates in β ladder)trans-67.3136.2172.453.30000109.9M63 I107M63-T68 HydrophobicContact CE-CG2 4.21Å; M63-T68 HydrophobicContact CG-CG2 4.19Å; T68-I107 HydrophobicContact CG2-CD1 4.36Å; T68-I107 HydrophobicContact CG2-CG1 4.02Å; T68-I107 HydrophobicContact CG2-CG2 4.43Å
69V92.4Very high92.5Very high2 Ų254.6 Ų54.61%0.01227%0.267CS..  trans-99.35.8177.2-61.20000113.2H39 I61 L62 V64 R71 L72 V77H39-V69 PolarHBondContact NE2-O 3.21Å; I61-V69 HydrophobicContact CB-CG2 4.3Å; I61-V69 HydrophobicContact CG2-CG2 3.92Å; I61-V69 VanDerWaalsContact O-CG2 3.31Å; I61-V69 WeakPolarHBondContact O-CG2 3.46Å; L62-V69 PolarHBondContact O-N 3.15Å; L62-V69 VanDerWaalsContact O-N 3.17Å; V64-V69 HydrophobicContact CB-CG1 4.07Å; V64-V69 HydrophobicContact CG2-CG1 3.68Å; V69-R71 PolarHBondContact O-N 3.09Å; V69-L72 HydrophobicContact CB-CD1 4.2Å; V69-L72 HydrophobicContact CG1-CD1 4.15Å; V69-L72 WeakPolarHBondContact O-CB 3.39Å; V69-L72 PolarHBondContact O-N 2.98Å; V69-L72 VanDerWaalsContact O-N 3.15Å; V69-V77 HydrophobicContact CB-CG2 3.88Å; V69-V77 HydrophobicContact CG1-CG1 4.31Å; V69-V77 HydrophobicContact CG1-CG2 4.09Å
70D88.1Confident92.4Very high92 Ų9255.6 Ų55.649%0.49227%0.273SS..THydrogen-bonded Turntrans-56131.7175.2-174.235.6000110.3L72D70-L72 PolarHBondContact O-N 3.31Å; D70-L72 VanDerWaalsContact O-N 3.1Å
71R85.1Confident92.3Very high195 Ų19555.9 Ų55.974%0.73627%0.274SS*.THydrogen-bonded Turntrans61.87.8-179.2-48.3171.7-165.9-162.6-3.3116V69V69-R71 PolarHBondContact O-N 3.09Å
72L90.2Very high91.9Very high62 Ų6261.9 Ų61.933%0.32530%0.3SS..  trans-71.8150.6171.9-66.2-171.8000110.6H39 V69 D70 D76 V77H39-L72 PolarHBondContact CE1-O 3.48Å; H39-L72 PolarHBondContact NE2-O 2.92Å; V69-L72 HydrophobicContact CB-CD1 4.2Å; V69-L72 HydrophobicContact CG1-CD1 4.15Å; V69-L72 WeakPolarHBondContact O-CB 3.39Å; V69-L72 PolarHBondContact O-N 2.98Å; V69-L72 VanDerWaalsContact O-N 3.15Å; D70-L72 PolarHBondContact O-N 3.31Å; D70-L72 VanDerWaalsContact O-N 3.1Å; L72-D76 HydrophobicContact CB-CB 4.48Å; L72-V77 HydrophobicContact CB-CG2 3.6Å; L72-V77 HydrophobicContact CD1-CG2 4.2Å
73S91Very high91.6Very high51 Ų5166.4 Ų66.436%0.35732%0.321SS..  trans-70.9156.7171.879.60000110.2T75 D76 V77S73-T75 PolarHBondContact O-N 3.35Å; S73-D76 WeakPolarHBondContact CB-OD2 3.39Å; S73-D76 PolarHBondContact O-N 2.91Å; S73-D76 VanDerWaalsContact O-N 3.1Å; S73-D76 PolarHBondContact OG-N 3.48Å; S73-D76 VanDerWaalsContact OG-N 3.11Å; S73-D76 PolarHBondContact OG-OD2 3.02Å; S73-V77 PolarHBondContact O-N 3.44Å
74H91Very high91.3Very high50 Ų5071.4 Ų71.423%0.23134%0.338CS..Hα-helixtrans-50.6-45.7173.1176.975.9000111.7L30 T32 D76 V77 V78L30-H74 PolarHBondContact O-CE1 2.96Å; L30-H74 VanDerWaalsContact O-CE1 3.25Å; T32-H74 HydrophobicContact CG2-CB 4.4Å; T32-H74 PolarHBondContact OG1-ND1 3.12Å; H74-D76 PolarHBondContact O-N 3.27Å; H74-V77 PolarHBondContact O-N 3.24Å; H74-V78 WeakPolarHBondContact O-CG2 3.5Å; H74-V78 PolarHBondContact O-N 3.05Å
75T92Very high90.7Very high79 Ų7975.1 Ų75.149%0.48536%0.364SS..Hα-helixtrans-63.1-40180-54.90000112.1S73 V78 K79S73-T75 PolarHBondContact O-N 3.35Å; T75-V78 PolarHBondContact O-N 3.36Å; T75-K79 HydrophobicContact CG2-CD 4.49Å; T75-K79 VanDerWaalsContact O-CG 3.31Å; T75-K79 WeakPolarHBondContact O-CG 3.43Å; T75-K79 PolarHBondContact O-N 3.2Å
76D92.3Very high90.6Very high62 Ų6277.6 Ų77.633%0.33238%0.378SS..Hα-helixtrans-72-38.7-179.4-60.4-39.7000111.8L72 S73 H74 V78 K79 V80L72-D76 HydrophobicContact CB-CB 4.48Å; S73-D76 WeakPolarHBondContact CB-OD2 3.39Å; S73-D76 PolarHBondContact O-N 2.91Å; S73-D76 VanDerWaalsContact O-N 3.1Å; S73-D76 PolarHBondContact OG-N 3.48Å; S73-D76 VanDerWaalsContact OG-N 3.11Å; S73-D76 PolarHBondContact OG-OD2 3.02Å; H74-D76 PolarHBondContact O-N 3.27Å; D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 3Å; D76-K79 WeakPolarHBondContact O-CB 3.24Å; D76-K79 PolarHBondContact O-N 2.88Å; D76-K79 IonicContact OD1-NZ 3.54Å; D76-V80 WeakPolarHBondContact O-CG2 3.39Å; D76-V80 PolarHBondContact O-N 2.94Å
77V92.6Very high90.6Very high0 Ų069.7 Ų69.70%034%0.343CS..Hα-helixtrans-61.6-44.4172.9177.60000111.1L30 H39 V69 L72 S73 H74 K79 V80 I81L30-V77 HydrophobicContact CD2-CB 4.2Å; L30-V77 HydrophobicContact CD2-CG1 3.68Å; H39-V77 VanDerWaalsContact CE1-CG2 3.43Å; H39-V77 WeakPolarHBondContact CE1-CG2 3.33Å; H39-V77 WeakPolarHBondContact NE2-CG2 3.46Å; V69-V77 HydrophobicContact CB-CG2 3.88Å; V69-V77 HydrophobicContact CG1-CG1 4.31Å; V69-V77 HydrophobicContact CG1-CG2 4.09Å; L72-V77 HydrophobicContact CB-CG2 3.6Å; L72-V77 HydrophobicContact CD1-CG2 4.2Å; S73-V77 PolarHBondContact O-N 3.44Å; H74-V77 PolarHBondContact O-N 3.24Å; V77-K79 VanDerWaalsContact C-N 3.31Å; V77-K79 PolarHBondContact O-N 3.24Å; V77-V80 PolarHBondContact O-N 2.8Å; V77-I81 HydrophobicContact CG1-CD1 3.81Å; V77-I81 HydrophobicContact CG1-CG1 4.44Å; V77-I81 VanDerWaalsContact O-CG1 3.31Å; V77-I81 WeakPolarHBondContact O-CG1 3.48Å; V77-I81 PolarHBondContact O-N 2.78Å
78V92.6Very high90.7Very high22 Ų2267.9 Ų67.913%0.13334%0.336CS..Hα-helixtrans-61.2-40175.4170.80000111.5L30 H74 T75 D76 I81 K82L30-V78 HydrophobicContact CD2-CG2 3.97Å; H74-V78 WeakPolarHBondContact O-CG2 3.5Å; H74-V78 PolarHBondContact O-N 3.05Å; T75-V78 PolarHBondContact O-N 3.36Å; D76-V78 VanDerWaalsContact C-N 3.34Å; D76-V78 PolarHBondContact O-N 3Å; V78-I81 PolarHBondContact O-N 2.97Å; V78-K82 HydrophobicContact CG1-CD 3.87Å; V78-K82 HydrophobicContact CG1-CG 4.45Å; V78-K82 WeakPolarHBondContact O-CB 3.21Å; V78-K82 VanDerWaalsContact O-CG 3.31Å; V78-K82 WeakPolarHBondContact O-CG 3.34Å; V78-K82 PolarHBondContact O-N 2.91Å
79K92Very high90.8Very high128 Ų12864.2 Ų64.256%0.55731%0.314SS*.Hα-helixtrans-62.5-44.9175.2-75170.4-176.8166.50111.9T75 D76 V77 I81 K82 E83T75-K79 HydrophobicContact CG2-CD 4.49Å; T75-K79 VanDerWaalsContact O-CG 3.31Å; T75-K79 WeakPolarHBondContact O-CG 3.43Å; T75-K79 PolarHBondContact O-N 3.2Å; D76-K79 WeakPolarHBondContact O-CB 3.24Å; D76-K79 PolarHBondContact O-N 2.88Å; D76-K79 IonicContact OD1-NZ 3.54Å; V77-K79 VanDerWaalsContact C-N 3.31Å; V77-K79 PolarHBondContact O-N 3.24Å; K79-I81 VanDerWaalsContact C-N 3.34Å; K79-I81 PolarHBondContact O-N 3.07Å; K79-K82 CarbonylContact O-C 3.52Å; K79-K82 PolarHBondContact O-N 3.2Å; K79-E83 PolarHBondContact O-N 3.25Å
80V92.2Very high91Very high21 Ų2164.4 Ų64.413%0.12732%0.315CS..Hα-helixtrans-64.2-39.5179.2174.20000111.4V64 K67 D76 V77 K82 E83V64-V80 HydrophobicContact CB-CG1 4.03Å; V64-V80 HydrophobicContact CG1-CG1 3.83Å; K67-V80 HydrophobicContact CD-CG1 4.37Å; D76-V80 WeakPolarHBondContact O-CG2 3.39Å; D76-V80 PolarHBondContact O-N 2.94Å; V77-V80 PolarHBondContact O-N 2.8Å; V80-K82 VanDerWaalsContact C-N 3.33Å; V80-E83 WeakPolarHBondContact O-CB 3.35Å; V80-E83 PolarHBondContact O-N 3.31Å
81I92.1Very high91.4Very high10 Ų1060 Ų605%0.05129%0.291CS..Hα-helixtrans-64.6-40.3175-68166.7000110.7Y26 F28 L30 V64 V77 V78 K79 E83 V87 M89Y26-I81 HydrophobicContact CD2-CG2 4.33Å; Y26-I81 HydrophobicContact CE2-CG2 4.01Å; F28-I81 HydrophobicContact CZ-CD1 4.35Å; L30-I81 HydrophobicContact CD2-CD1 4.35Å; V64-I81 HydrophobicContact CG1-CG1 3.83Å; V64-I81 HydrophobicContact CG2-CG1 4.11Å; V77-I81 HydrophobicContact CG1-CD1 3.81Å; V77-I81 HydrophobicContact CG1-CG1 4.44Å; V77-I81 VanDerWaalsContact O-CG1 3.31Å; V77-I81 WeakPolarHBondContact O-CG1 3.48Å; V77-I81 PolarHBondContact O-N 2.78Å; V78-I81 PolarHBondContact O-N 2.97Å; K79-I81 VanDerWaalsContact C-N 3.34Å; K79-I81 PolarHBondContact O-N 3.07Å; I81-E83 VanDerWaalsContact C-N 3.29Å; I81-E83 PolarHBondContact O-N 3.23Å; I81-V87 HydrophobicContact CG2-CG1 4.48Å; I81-V87 HydrophobicContact CG2-CG2 4.3Å; I81-V87 WeakPolarHBondContact O-CG2 3.47Å; I81-M89 HydrophobicContact CG1-CE 4.47Å; I81-M89 HydrophobicContact CG2-CE 4.22Å
82K89.3Confident91.9Very high132 Ų13250.8 Ų50.857%0.57426%0.257SS*.THydrogen-bonded Turntrans-82.2-1.9-179.6-68.6179.5177.6-178.30114.2V78 K79 V80 R84V78-K82 HydrophobicContact CG1-CD 3.87Å; V78-K82 HydrophobicContact CG1-CG 4.45Å; V78-K82 WeakPolarHBondContact O-CB 3.21Å; V78-K82 VanDerWaalsContact O-CG 3.31Å; V78-K82 WeakPolarHBondContact O-CG 3.34Å; V78-K82 PolarHBondContact O-N 2.91Å; K79-K82 CarbonylContact O-C 3.52Å; K79-K82 PolarHBondContact O-N 3.2Å; V80-K82 VanDerWaalsContact C-N 3.33Å; K82-R84 PolarHBondContact O-N 2.83Å
83E89.5Confident91.9Very high113 Ų11348.9 Ų48.953%0.52825%0.246SC..THydrogen-bonded Turntrans-66.6-25-178.3-166.2176.9-170.900111.7K67 K79 V80 I81K67-E83 IonicContact NZ-OE1 3.92Å; K67-E83 IonicContact NZ-OE2 3.81Å; K67-E83 PolarHBondContact NZ-OE2 2.73Å; K79-E83 PolarHBondContact O-N 3.25Å; V80-E83 WeakPolarHBondContact O-CB 3.35Å; V80-E83 PolarHBondContact O-N 3.31Å; I81-E83 VanDerWaalsContact C-N 3.29Å; I81-E83 PolarHBondContact O-N 3.23Å
84R88Confident91.8Very high126 Ų12649.1 Ų49.148%0.47525%0.246SC..  trans-138.2158.8-176.7-62.3-176.7-176.1176.9-0.9110.8Y26 K82 D86Y26-R84 PolarHBondContact OH-O 3.45Å; K82-R84 PolarHBondContact O-N 2.83Å; R84-D86 VanDerWaalsContact CB-O 3.24Å; R84-D86 WeakPolarHBondContact CB-O 3.17Å
85S84.4Confident91.5Very high78 Ų7852.4 Ų52.455%0.54526%0.26SS..SBendtrans-76.3-28.2171.7490000112.4L19 Y26L19-S85 PolarHBondContact N-O 2.85Å; Y26-S85 PolarHBondContact OH-O 2.74Å
86D89.1Confident91.4Very high66 Ų6650 Ų5035%0.35324%0.244SC..EExtended strand (participates in β ladder)trans-103129.3173.861.6-39.1000110.4L17 R84L17-D86 WeakPolarHBondContact O-CA 3.47Å; R84-D86 VanDerWaalsContact CB-O 3.24Å; R84-D86 WeakPolarHBondContact CB-O 3.17Å
87V92.9Very high91.4Very high0 Ų047.3 Ų47.30%023%0.23CC..EExtended strand (participates in β ladder)trans-131.5120.9-176.5-174.90000110.4H16 L17 Y26 V64 N65 I81 M89H16-V87 WeakPolarHBondContact CA-O 3.26Å; L17-V87 PolarHBondContact N-O 2.82Å; L17-V87 PolarHBondContact O-N 3.15Å; Y26-V87 HydrophobicContact CE2-CG2 4.22Å; Y26-V87 VanDerWaalsContact OH-CG2 3.28Å; Y26-V87 WeakPolarHBondContact OH-CG2 3.31Å; V64-V87 HydrophobicContact CG1-CG1 3.57Å; N65-V87 WeakPolarHBondContact OD1-CA 3.32Å; I81-V87 HydrophobicContact CG2-CG1 4.48Å; I81-V87 HydrophobicContact CG2-CG2 4.3Å; I81-V87 WeakPolarHBondContact O-CG2 3.47Å; V87-M89 HydrophobicContact CB-CE 4.13Å; V87-M89 HydrophobicContact CG1-CE 3.56Å; V87-M89 HydrophobicContact CG1-CG 3.76Å; V87-M89 HydrophobicContact CG1-SD 4.47Å
88E94.5Very high91.1Very high60 Ų6050.2 Ų50.228%0.2825%0.253SS..EExtended strand (participates in β ladder)trans-94.8117.5171.3-61.9-177.7117.200109.3C15 V64 N65C15-E88 CarbonylContact O-C 3.6Å; C15-E88 WeakPolarHBondContact O-CA 3.36Å; V64-E88 CarbonylContact C-O 3.55Å; V64-E88 WeakPolarHBondContact CA-O 3.42Å; N65-E88 PolarHBondContact N-O 3.39Å; N65-E88 PolarHBondContact OD1-N 3.37Å
89M95.6Very high91Very high0 Ų051.7 Ų51.70%026%0.257CS..EExtended strand (participates in β ladder)trans-116.7128178-55.8-173.2-150.100110.9L14 C15 L17 F28 L55 I61 M63 V64 I81 V87 V91L14-M89 CarbonylContact C-O 3.47Å; L14-M89 WeakPolarHBondContact CA-O 3.46Å; C15-M89 PolarHBondContact N-O 3.21Å; C15-M89 PolarHBondContact O-N 3.16Å; L17-M89 HydrophobicContact CD1-CE 3.42Å; L17-M89 VanDerWaalsContact CD1-CE 3.42Å; L17-M89 HydrophobicContact CD1-SD 4.48Å; L17-M89 HydrophobicContact CG-CE 4.15Å; F28-M89 HydrophobicContact CE1-CE 3.97Å; F28-M89 HydrophobicContact CZ-CE 3.75Å; F28-M89 HydrophobicContact CZ-SD 4.33Å; L55-M89 HydrophobicContact CD1-SD 4.42Å; I61-M89 HydrophobicContact CD1-SD 4.12Å; M63-M89 WeakPolarHBondContact O-CA 3.4Å; V64-M89 HydrophobicContact CG2-CG 4.33Å; I81-M89 HydrophobicContact CG1-CE 4.47Å; I81-M89 HydrophobicContact CG2-CE 4.22Å; V87-M89 HydrophobicContact CB-CE 4.13Å; V87-M89 HydrophobicContact CG1-CE 3.56Å; V87-M89 HydrophobicContact CG1-CG 3.76Å; V87-M89 HydrophobicContact CG1-SD 4.47Å; M89-V91 HydrophobicContact CB-CG1 4.03Å
90L96.9Very high91Very high5 Ų546 Ų463%0.02623%0.232CC..EExtended strand (participates in β ladder)trans-90.8113.5167.1-17271.7000108.3A12 R13 L14 L62 M63 A110 I111 P114A12-L90 HydrophobicContact CB-CD1 3.9Å; A12-L90 HydrophobicContact CB-CG 4.41Å; R13-L90 CarbonylContact O-C 3.55Å; R13-L90 WeakPolarHBondContact O-CA 3.28Å; L14-L90 HydrophobicContact CB-CD1 4.46Å; L14-L90 HydrophobicContact CD1-CD1 4.5Å; L62-L90 HydrophobicContact CB-CD2 4.31Å; L62-L90 HydrophobicContact CD1-CD2 4.37Å; L62-L90 PolarHBondContact N-O 2.53Å; M63-L90 HydrophobicContact CB-CB 3.94Å; M63-L90 HydrophobicContact CG-CB 4.36Å; M63-L90 HydrophobicContact CG-CD2 4.24Å; M63-L90 PolarHBondContact N-O 2.74Å; M63-L90 PolarHBondContact O-N 2.6Å; M63-L90 HydrophobicContact SD-CD2 4.02Å; L90-A110 HydrophobicContact CD2-CB 3.84Å; L90-I111 HydrophobicContact CD2-CD1 4.48Å; L90-I111 HydrophobicContact CD2-CG1 3.62Å; L90-P114 HydrophobicContact CD1-CB 4.17Å
91V96.4Very high90.9Very high0 Ų051.3 Ų51.30%025%0.25CC..EExtended strand (participates in β ladder)trans-122.9152-177.2-55.80000112.5A12 R13 L55 D59 I60 I61 M89A12-V91 WeakPolarHBondContact CA-O 3.47Å; R13-V91 HydrophobicContact CB-CG2 3.83Å; R13-V91 PolarHBondContact N-O 2.95Å; R13-V91 PolarHBondContact O-N 3.44Å; L55-V91 HydrophobicContact CD2-CB 4.47Å; L55-V91 HydrophobicContact CD2-CG1 3.78Å; L55-V91 HydrophobicContact CD2-CG2 4Å; D59-V91 HydrophobicContact CB-CB 4.02Å; D59-V91 HydrophobicContact CB-CG1 4.49Å; D59-V91 HydrophobicContact CB-CG2 4.23Å; I60-V91 CarbonylContact O-C 3.56Å; I60-V91 VanDerWaalsContact O-CA 3.3Å; I60-V91 WeakPolarHBondContact O-CA 3.47Å; I61-V91 HydrophobicContact CB-CG1 4.48Å; I61-V91 HydrophobicContact CG1-CG1 4.04Å; M89-V91 HydrophobicContact CB-CG1 4.03Å
92V95Very high90.8Very high2 Ų258 Ų581%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-136.3143.5176-67.90000110.7A12 I60 L62 L97 F100A12-V92 HydrophobicContact CB-CG1 3.54Å; I60-V92 HydrophobicContact CB-CG2 4.21Å; I60-V92 PolarHBondContact N-O 3.36Å; I60-V92 PolarHBondContact O-N 3.38Å; L62-V92 HydrophobicContact CD1-CB 4.4Å; L62-V92 HydrophobicContact CD1-CG1 3.63Å; L62-V92 HydrophobicContact CD1-CG2 3.83Å; L62-V92 HydrophobicContact CD2-CG2 4Å; L62-V92 HydrophobicContact CG-CG1 4.42Å; L62-V92 HydrophobicContact CG-CG2 3.89Å; V92-L97 HydrophobicContact CG2-CB 3.88Å; V92-L97 HydrophobicContact CG2-CD1 3.95Å; V92-L97 HydrophobicContact CG2-CG 4.37Å; V92-F100 HydrophobicContact CB-CD2 4.49Å; V92-F100 HydrophobicContact CG1-CD2 3.84Å; V92-F100 HydrophobicContact CG1-CE2 3.76Å
93Q91.6Very high90.8Very high22 Ų2255.3 Ų55.310%0.10327%0.267CS..  trans-73.2151.4170.2-79.8-78.3-4500110.3N57 D59 K95 D96 L97N57-Q93 PolarHBondContact O-NE2 3.18Å; D59-Q93 WeakPolarHBondContact OD1-CG 3.32Å; D59-Q93 PolarHBondContact OD1-NE2 3.31Å; Q93-K95 PolarHBondContact O-N 2.79Å; Q93-K95 VanDerWaalsContact O-N 3.11Å; Q93-D96 PolarHBondContact O-N 3.35Å; Q93-L97 PolarHBondContact O-N 2.79Å
94P89.1Confident90.9Very high55 Ų5556.5 Ų56.536%0.35729%0.288SS..Hα-helixtrans-57.5-31.5-175.9-27.135000114.7G58 I60 A98G58-P94 WeakPolarHBondContact O-CD 3.34Å; G58-P94 WeakPolarHBondContact O-CG 3.39Å; I60-P94 HydrophobicContact CD1-CB 4.23Å; I60-P94 HydrophobicContact CD1-CG 4.04Å; I60-P94 HydrophobicContact CG1-CG 4.49Å; P94-A98 PolarHBondContact O-N 2.92Å
95K84.4Confident91.1Very high120 Ų12054.4 Ų54.452%0.52229%0.286SS..Hα-helixtrans-65.1-42.1175.9-176-173.7175.6-168.90111.3Q93Q93-K95 PolarHBondContact O-N 2.79Å; Q93-K95 VanDerWaalsContact O-N 3.11Å
96D89.6Confident91.4Very high27 Ų2752.4 Ų52.414%0.14427%0.271CS..Hα-helixtrans-78.5-32.3-178.8-50.9-41.4000111H10 Q93 A98 Y99 F100H10-D96 HydrophobicContact CB-CB 4.32Å; H10-D96 IonicContact CE1-OD1 2.86Å; H10-D96 IonicContact CG-OD1 2.66Å; H10-D96 IonicContact ND1-OD1 3.16Å; H10-D96 PolarHBondContact ND1-OD1 3.17Å; Q93-D96 PolarHBondContact O-N 3.35Å; D96-A98 PolarHBondContact O-N 3.24Å; D96-Y99 WeakPolarHBondContact O-CA 3.47Å; D96-Y99 VanDerWaalsContact O-CB 3.3Å; D96-Y99 WeakPolarHBondContact O-CB 3.34Å; D96-Y99 PolarHBondContact O-N 2.97Å; D96-F100 HydrophobicContact CB-CD2 4.31Å; D96-F100 HydrophobicContact CB-CE2 4.02Å; D96-F100 WeakPolarHBondContact O-CD2 3.46Å; D96-F100 PolarHBondContact O-N 3.23Å
97L90.9Very high91.6Very high7 Ų750.9 Ų50.94%0.03726%0.262CS..Hα-helixtrans-57.6-37.4173.6-178.960.8000112.1I60 L62 V92 Q93 Y99 F100 R101 V106I60-L97 HydrophobicContact CB-CD2 4.39Å; I60-L97 HydrophobicContact CD1-CB 4.45Å; I60-L97 HydrophobicContact CD1-CD2 3.31Å; I60-L97 HydrophobicContact CD1-CG 4.5Å; I60-L97 HydrophobicContact CG1-CD2 4.41Å; I60-L97 HydrophobicContact CG2-CD2 4.11Å; L62-L97 HydrophobicContact CD2-CD1 4.18Å; V92-L97 HydrophobicContact CG2-CB 3.88Å; V92-L97 HydrophobicContact CG2-CD1 3.95Å; V92-L97 HydrophobicContact CG2-CG 4.37Å; Q93-L97 PolarHBondContact O-N 2.79Å; L97-Y99 PolarHBondContact O-N 3.36Å; L97-F100 PolarHBondContact O-N 3.23Å; L97-R101 HydrophobicContact CD1-CG 4.21Å; L97-R101 HydrophobicContact CG-CG 4.35Å; L97-R101 WeakPolarHBondContact O-CB 3.35Å; L97-R101 WeakPolarHBondContact O-CG 3.49Å; L97-R101 PolarHBondContact O-N 3.37Å; L97-V106 HydrophobicContact CD1-CG1 4.15Å
98A87.6Confident91.6Very high60 Ų6054.4 Ų54.450%0.49629%0.287SS..Hα-helixtrans-63.7-31175.900000112.6P94 D96P94-A98 PolarHBondContact O-N 2.92Å; D96-A98 PolarHBondContact O-N 3.24Å
99Y89.3Confident91.5Very high53 Ų5352.6 Ų52.621%0.20828%0.282CS..Hα-helixtrans-72.2-49.2171.7172.7-95.6000111.1H10 D96 L97 R101 K102 F103H10-Y99 HydrophobicContact CB-CD1 3.55Å; H10-Y99 HydrophobicContact CB-CE1 4.01Å; H10-Y99 HydrophobicContact CB-CG 3.92Å; H10-Y99 AromaticContact CD2-CD1 3.99Å; H10-Y99 AromaticContact CD2-CD2 3.52Å; H10-Y99 AromaticContact CD2-CG 3.48Å; H10-Y99 VanDerWaalsContact CD2-CG 3.48Å; H10-Y99 AromaticContact CG-CD1 3.99Å; H10-Y99 AromaticContact CG-CG 3.81Å; D96-Y99 WeakPolarHBondContact O-CA 3.47Å; D96-Y99 VanDerWaalsContact O-CB 3.3Å; D96-Y99 WeakPolarHBondContact O-CB 3.34Å; D96-Y99 PolarHBondContact O-N 2.97Å; L97-Y99 PolarHBondContact O-N 3.36Å; Y99-R101 VanDerWaalsContact C-N 3.26Å; Y99-R101 PolarHBondContact O-N 3.25Å; Y99-K102 VanDerWaalsContact O-CB 3.29Å; Y99-K102 WeakPolarHBondContact O-CB 3.31Å; Y99-K102 WeakPolarHBondContact O-CG 3.45Å; Y99-K102 PolarHBondContact O-N 3.01Å; Y99-F103 AromaticContact CD1-CE2 3.99Å; Y99-F103 HydrophobicContact CD1-CE2 3.99Å; Y99-F103 AromaticContact CE1-CE2 3.51Å; Y99-F103 HydrophobicContact CE1-CE2 3.51Å; Y99-F103 AromaticContact CE1-CZ 3.94Å; Y99-F103 HydrophobicContact CE1-CZ 3.94Å; Y99-F103 HydrophobicContact CE2-CE2 4.48Å; Y99-F103 AromaticContact CZ-CE2 3.78Å; Y99-F103 AromaticContact CZ-CZ 3.88Å
100F91.8Very high91.4Very high8 Ų852.6 Ų52.64%0.03528%0.282CS..Hα-helixtrans-62.8-30.5179.8-69.3-64.9000113.5H10 A12 V92 D96 L97 K102 F103 V106 A109 A110H10-F100 WeakPolarHBondContact O-CZ 3.24Å; A12-F100 HydrophobicContact CB-CE2 4.49Å; A12-F100 HydrophobicContact CB-CZ 4.44Å; V92-F100 HydrophobicContact CB-CD2 4.49Å; V92-F100 HydrophobicContact CG1-CD2 3.84Å; V92-F100 HydrophobicContact CG1-CE2 3.76Å; D96-F100 HydrophobicContact CB-CD2 4.31Å; D96-F100 HydrophobicContact CB-CE2 4.02Å; D96-F100 WeakPolarHBondContact O-CD2 3.46Å; D96-F100 PolarHBondContact O-N 3.23Å; L97-F100 PolarHBondContact O-N 3.23Å; F100-K102 PolarHBondContact O-N 3.4Å; F100-F103 WeakPolarHBondContact O-CB 3.34Å; F100-F103 WeakPolarHBondContact O-CD2 3.4Å; F100-F103 PolarHBondContact O-N 2.89Å; F100-F103 VanDerWaalsContact O-N 3.09Å; F100-V106 HydrophobicContact CB-CG1 3.75Å; F100-A109 HydrophobicContact CD1-CB 3.9Å; F100-A109 HydrophobicContact CE1-CB 4.45Å; F100-A110 HydrophobicContact CD1-CB 4.42Å; F100-A110 HydrophobicContact CE1-CB 4.37Å
101R90.3Very high91.2Very high133 Ų13356.5 Ų56.550%0.50230%0.302SS..THydrogen-bonded Turntrans-65.4-11.1173.8-80.8178.4164.2152.70.5114.7E38 L97 Y99 F103 V106E38-R101 IonicContact OE1-CZ 3Å; E38-R101 VanDerWaalsContact OE1-CZ 3.22Å; E38-R101 IonicContact OE1-NH1 2.95Å; E38-R101 PolarHBondContact OE1-NH1 3.01Å; E38-R101 IonicContact OE1-NH2 3.76Å; E38-R101 PolarHBondContact OE1-NH2 3.39Å; L97-R101 HydrophobicContact CD1-CG 4.21Å; L97-R101 HydrophobicContact CG-CG 4.35Å; L97-R101 WeakPolarHBondContact O-CB 3.35Å; L97-R101 WeakPolarHBondContact O-CG 3.49Å; L97-R101 PolarHBondContact O-N 3.37Å; Y99-R101 VanDerWaalsContact C-N 3.26Å; Y99-R101 PolarHBondContact O-N 3.25Å; R101-F103 VanDerWaalsContact C-N 3.3Å; R101-V106 HydrophobicContact CG-CG2 4.45Å
102K90.4Very high91Very high150 Ų15065.2 Ų65.265%0.65234%0.34SS*.THydrogen-bonded Turntrans-76.9-18.3172.2-60.5179.5179.5-1790112.4Y99 F100Y99-K102 VanDerWaalsContact O-CB 3.29Å; Y99-K102 WeakPolarHBondContact O-CB 3.31Å; Y99-K102 WeakPolarHBondContact O-CG 3.45Å; Y99-K102 PolarHBondContact O-N 3.01Å; F100-K102 PolarHBondContact O-N 3.4Å
103F90.4Very high90.8Very high77 Ų7769.3 Ų69.334%0.33836%0.362SS..SBendtrans-85.7152.7176.7-61.9-92.5000110.7Y99 F100 R101 D105 A109Y99-F103 AromaticContact CD1-CE2 3.99Å; Y99-F103 HydrophobicContact CD1-CE2 3.99Å; Y99-F103 AromaticContact CE1-CE2 3.51Å; Y99-F103 HydrophobicContact CE1-CE2 3.51Å; Y99-F103 AromaticContact CE1-CZ 3.94Å; Y99-F103 HydrophobicContact CE1-CZ 3.94Å; Y99-F103 HydrophobicContact CE2-CE2 4.48Å; Y99-F103 AromaticContact CZ-CE2 3.78Å; Y99-F103 AromaticContact CZ-CZ 3.88Å; F100-F103 WeakPolarHBondContact O-CB 3.34Å; F100-F103 WeakPolarHBondContact O-CD2 3.4Å; F100-F103 PolarHBondContact O-N 2.89Å; F100-F103 VanDerWaalsContact O-N 3.09Å; R101-F103 VanDerWaalsContact C-N 3.3Å; F103-D105 VanDerWaalsContact C-N 3.32Å; F103-A109 HydrophobicContact CB-CB 3.95Å; F103-A109 HydrophobicContact CD1-CB 4.14Å; F103-A109 HydrophobicContact CD2-CB 3.88Å; F103-A109 HydrophobicContact CE2-CB 4.43Å; F103-A109 HydrophobicContact CG-CB 3.71Å
104S89.8Confident90.9Very high137 Ų13770 Ų7096%0.95837%0.368SS*.SBendtrans-64.2-37.8176.651.70000112.5
105D92.1Very high91Very high82 Ų8270.7 Ų70.744%0.43937%0.368SS..  trans-121.7103174.3-175.9-11.3000109.5F103 I107 S108 A109F103-D105 VanDerWaalsContact C-N 3.32Å; D105-I107 VanDerWaalsContact C-N 3.26Å; D105-I107 PolarHBondContact O-N 3.01Å; D105-I107 WeakPolarHBondContact OD1-CA 3.3Å; D105-I107 WeakPolarHBondContact OD1-CB 3.29Å; D105-I107 PolarHBondContact OD1-N 3.41Å; D105-S108 VanDerWaalsContact CG-CB 3.5Å; D105-S108 PolarHBondContact OD1-N 3.33Å; D105-S108 WeakPolarHBondContact OD2-CB 3.05Å; D105-A109 WeakPolarHBondContact O-CB 3.37Å; D105-A109 PolarHBondContact O-N 2.75Å; D105-A109 VanDerWaalsContact O-N 3.09Å
106V91.8Very high91.4Very high37 Ų3769.9 Ų69.922%0.22437%0.369CS..Hα-helixtrans-59.7-39.6177.9-176.60000110.8L62 L97 F100 R101 A109 A110L62-V106 HydrophobicContact CD1-CG1 4.37Å; L97-V106 HydrophobicContact CD1-CG1 4.15Å; F100-V106 HydrophobicContact CB-CG1 3.75Å; R101-V106 HydrophobicContact CG-CG2 4.45Å; V106-A109 PolarHBondContact O-N 2.95Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.33Å; V106-A110 PolarHBondContact O-N 3.24Å
107I93.3Very high91.5Very high34 Ų3469.8 Ų69.817%0.17437%0.37CS..Hα-helixtrans-70.1-48.6-176.1-58.7-58.3000109.7L62 M63 T68 D105 A109 A110 I111L62-I107 HydrophobicContact CB-CD1 3.68Å; L62-I107 HydrophobicContact CD1-CD1 4.46Å; L62-I107 HydrophobicContact CG-CD1 4.49Å; M63-I107 HydrophobicContact CE-CG2 4.28Å; M63-I107 HydrophobicContact CG-CD1 4.03Å; M63-I107 HydrophobicContact CG-CG2 4.12Å; M63-I107 HydrophobicContact SD-CG2 3.36Å; M63-I107 WeakPolarHBondContact SD-CG2 3.48Å; T68-I107 HydrophobicContact CG2-CD1 4.36Å; T68-I107 HydrophobicContact CG2-CG1 4.02Å; T68-I107 HydrophobicContact CG2-CG2 4.43Å; D105-I107 VanDerWaalsContact C-N 3.26Å; D105-I107 PolarHBondContact O-N 3.01Å; D105-I107 WeakPolarHBondContact OD1-CA 3.3Å; D105-I107 WeakPolarHBondContact OD1-CB 3.29Å; D105-I107 PolarHBondContact OD1-N 3.41Å; I107-A109 VanDerWaalsContact C-N 3.26Å; I107-A109 PolarHBondContact O-N 2.87Å; I107-A110 PolarHBondContact O-N 3.39Å; I107-A110 VanDerWaalsContact O-N 3.16Å; I107-I111 HydrophobicContact CG2-CD1 3.57Å; I107-I111 HydrophobicContact CG2-CG1 4.29Å; I107-I111 VanDerWaalsContact O-CG1 3.32Å; I107-I111 WeakPolarHBondContact O-CG1 3.38Å; I107-I111 PolarHBondContact O-N 2.92Å
108S92.7Very high91.3Very high73 Ų7374.6 Ų74.651%0.5139%0.392SS..Hα-helixtrans-60.7-36.5176.9-177.70000112.3D105D105-S108 VanDerWaalsContact CG-CB 3.5Å; D105-S108 PolarHBondContact OD1-N 3.33Å; D105-S108 WeakPolarHBondContact OD2-CB 3.05Å
109A92.7Very high91Very high22 Ų2272.2 Ų72.218%0.18237%0.372CS..Hα-helixtrans-68.9-39.7176.200000112.1F100 F103 D105 V106 I107F100-A109 HydrophobicContact CD1-CB 3.9Å; F100-A109 HydrophobicContact CE1-CB 4.45Å; F103-A109 HydrophobicContact CB-CB 3.95Å; F103-A109 HydrophobicContact CD1-CB 4.14Å; F103-A109 HydrophobicContact CD2-CB 3.88Å; F103-A109 HydrophobicContact CE2-CB 4.43Å; F103-A109 HydrophobicContact CG-CB 3.71Å; D105-A109 WeakPolarHBondContact O-CB 3.37Å; D105-A109 PolarHBondContact O-N 2.75Å; D105-A109 VanDerWaalsContact O-N 3.09Å; V106-A109 PolarHBondContact O-N 2.95Å; I107-A109 VanDerWaalsContact C-N 3.26Å; I107-A109 PolarHBondContact O-N 2.87Å
110A93Very high90.3Very high1 Ų171.5 Ų71.51%0.00838%0.375CS..Hα-helixtrans-71.8-34.7-179.300000113.6A12 L62 L90 F100 V106 I107 K112A12-A110 HydrophobicContact CB-CB 3.87Å; L62-A110 HydrophobicContact CD1-CB 3.83Å; L90-A110 HydrophobicContact CD2-CB 3.84Å; F100-A110 HydrophobicContact CD1-CB 4.42Å; F100-A110 HydrophobicContact CE1-CB 4.37Å; V106-A110 VanDerWaalsContact O-CB 3.3Å; V106-A110 WeakPolarHBondContact O-CB 3.33Å; V106-A110 PolarHBondContact O-N 3.24Å; I107-A110 PolarHBondContact O-N 3.39Å; I107-A110 VanDerWaalsContact O-N 3.16Å; A110-K112 VanDerWaalsContact C-N 3.31Å
111I93.9Very high89.2Confident86 Ų8673.3 Ų73.344%0.44138%0.383SS..Hα-helixtrans-76.5-17.2179.1-63.5169.5000112.5M63 L90 I107 D113 P114M63-I111 HydrophobicContact CE-CD1 4.43Å; M63-I111 HydrophobicContact SD-CD1 3.61Å; M63-I111 HydrophobicContact SD-CG1 4.26Å; L90-I111 HydrophobicContact CD2-CD1 4.48Å; L90-I111 HydrophobicContact CD2-CG1 3.62Å; I107-I111 HydrophobicContact CG2-CD1 3.57Å; I107-I111 HydrophobicContact CG2-CG1 4.29Å; I107-I111 VanDerWaalsContact O-CG1 3.32Å; I107-I111 WeakPolarHBondContact O-CG1 3.38Å; I107-I111 PolarHBondContact O-N 2.92Å; I111-D113 VanDerWaalsContact C-N 3.31Å; I111-D113 PolarHBondContact O-N 3.16Å; I111-P114 WeakPolarHBondContact O-CD 3.39Å
112K91.4Very high88Confident183 Ų18373.7 Ų73.780%0.79639%0.391SS*.SBendtrans-59.3-39.5-173.9-174.7-179.7176.3-1730113.4A110A110-K112 VanDerWaalsContact C-N 3.31Å
113D90.3Very high87.1Confident89 Ų8970.4 Ų70.448%0.47638%0.38SS..SBendtrans-155.663.5-176.1-174.838.5000112.2R11 I111R11-D113 IonicContact CZ-OD1 3.24Å; R11-D113 IonicContact CZ-OD2 3.98Å; R11-D113 PolarHBondContact NE-O 2.66Å; R11-D113 IonicContact NE-OD1 2.73Å; R11-D113 IonicContact NE-OD2 2.87Å; R11-D113 PolarHBondContact NE-OD2 3.15Å; R11-D113 IonicContact NH2-OD1 3.67Å; R11-D113 PolarHBondContact NH2-OD1 3.12Å; R11-D113 IonicContact NH2-OD2 3.94Å; R11-D113 PolarHBondContact NH2-OD2 3.1Å; I111-D113 VanDerWaalsContact C-N 3.31Å; I111-D113 PolarHBondContact O-N 3.16Å
114P93Very high86.2Confident36 Ų3667.9 Ų67.923%0.23437%0.37CS..PPolyproline II helixtrans-77.5149.2-179.832.7-35.8000111.5A12 L14 L90 I111 L116A12-P114 CarbonylContact O-C 3.53Å; A12-P114 VanDerWaalsContact O-CA 3.29Å; A12-P114 WeakPolarHBondContact O-CA 3.12Å; L14-P114 HydrophobicContact CB-CB 4.05Å; L14-P114 HydrophobicContact CB-CG 4.25Å; L90-P114 HydrophobicContact CD1-CB 4.17Å; I111-P114 WeakPolarHBondContact O-CD 3.39Å; P114-L116 PolarHBondContact O-N 2.89Å
115I93.1Very high85.5Confident69 Ų6966.1 Ų66.135%0.35435%0.35SS..EExtended strand (participates in β ladder)trans-74.3117.5166-60.6166.4000107.3R11 A12 R13 L14R11-I115 HydrophobicContact CB-CD1 3.95Å; R11-I115 HydrophobicContact CB-CG1 3.96Å; A12-I115 PolarHBondContact O-N 3.17Å; R13-I115 CarbonylContact C-O 3.49Å; R13-I115 VanDerWaalsContact CA-O 3.29Å; R13-I115 WeakPolarHBondContact CA-O 3.46Å; R13-I115 HydrophobicContact CG-CB 4.2Å; L14-I115 PolarHBondContact N-O 2.88Å
116L92.4Very high85Confident104 Ų10468.8 Ų68.855%0.54536%0.357SS..EExtended strand (participates in β ladder)trans-77.5127.4176.2-17663.7000109.9L14 P114 E118L14-L116 HydrophobicContact CB-CD1 4.33Å; L14-L116 HydrophobicContact CD2-CD1 4.08Å; L14-L116 HydrophobicContact CG-CD1 4.18Å; P114-L116 PolarHBondContact O-N 2.89Å; L116-E118 HydrophobicContact CD1-CG 4.35Å; L116-E118 HydrophobicContact CD2-CG 4.47Å; L116-E118 HydrophobicContact CG-CG 4.16Å
117C91Very high84.4Confident24 Ų2469.5 Ų69.516%0.16236%0.36CS..EExtended strand (participates in β ladder)trans-125.1123.5174.5-570000108.1L14 C15 H16 G53L14-C117 PolarHBondContact O-N 3.29Å; C15-C117 CarbonylContact C-O 3.57Å; C15-C117 WeakPolarHBondContact CA-O 3.12Å; H16-C117 PolarHBondContact N-O 3.2Å; G53-C117 WeakPolarHBondContact O-CB 3.4Å
118E86.6Confident84.2Confident108 Ų10871.7 Ų71.751%0.50538%0.375SS..EExtended strand (participates in β ladder)trans-120.1139.8-179.9-62.9-16817800110.4H16 L116H16-E118 HydrophobicContact CB-CG 4.26Å; L116-E118 HydrophobicContact CD1-CG 4.35Å; L116-E118 HydrophobicContact CD2-CG 4.47Å; L116-E118 HydrophobicContact CG-CG 4.16Å
119T80.9Confident84Confident10 Ų1074.7 Ų74.76%0.06139%0.385CS..  trans-74.4125.9173.2-52.60000109.9H16 L17 W20 P49 G53H16-T119 WeakPolarHBondContact O-CB 3.33Å; H16-T119 PolarHBondContact O-N 3.16Å; H16-T119 PolarHBondContact O-OG1 3.47Å; L17-T119 WeakPolarHBondContact CA-OG1 3.36Å; W20-T119 HydrophobicContact CZ2-CG2 3.56Å; P49-T119 HydrophobicContact CB-CG2 4.08Å; P49-T119 PolarHBondContact O-OG1 2.75Å; G53-T119 WeakPolarHBondContact CA-OG1 3.43Å
120S74.8Confident83.8Confident39 Ų3977.1 Ų77.127%0.27341%0.406SS..  trans-125.8101.817359.80000111.4S52 E122 D123S52-S120 PolarHBondContact OG-N 2.81Å; S52-S120 VanDerWaalsContact OG-N 3.16Å; S120-E122 VanDerWaalsContact C-N 3.26Å; S120-E122 PolarHBondContact O-N 2.93Å; S120-D123 WeakPolarHBondContact CB-OD2 3.01Å; S120-D123 PolarHBondContact O-N 3.21Å; S120-D123 WeakPolarHBondContact OG-CB 3.44Å; S120-D123 VanDerWaalsContact OG-CG 3.29Å; S120-D123 PolarHBondContact OG-OD2 3.41Å
121E68.9Low83.6Confident45 Ų4581.1 Ų81.121%0.2142%0.424CS..Hα-helixtrans-63.1-37.5173.6-163.4-178.9169.300111.2W20 P21 D123 L124 N125W20-E121 HydrophobicContact CB-CG 4.36Å; W20-E121 HydrophobicContact CD2-CB 4.18Å; W20-E121 HydrophobicContact CD2-CG 3.86Å; W20-E121 HydrophobicContact CE3-CG 4.46Å; W20-E121 HydrophobicContact CG-CB 4.1Å; W20-E121 HydrophobicContact CG-CG 3.81Å; W20-E121 HydrophobicContact CZ2-CB 4.42Å; P21-E121 WeakPolarHBondContact CD-OE2 3.32Å; E121-D123 VanDerWaalsContact C-N 3.27Å; E121-D123 PolarHBondContact O-N 3.33Å; E121-L124 PolarHBondContact O-N 3.37Å; E121-N125 PolarHBondContact O-N 2.82Å
122E66.4Low83Confident142 Ų14279.3 Ų79.366%0.66441%0.413SS*.Hα-helixtrans-59.2-38.7-179.4-68.1179.9-17000112.3S120 N125 K126S120-E122 VanDerWaalsContact C-N 3.26Å; S120-E122 PolarHBondContact O-N 2.93Å; E122-N125 PolarHBondContact O-N 2.81Å; E122-K126 WeakPolarHBondContact O-CD 3.35Å; E122-K126 WeakPolarHBondContact O-CE 3.33Å; E122-K126 WeakPolarHBondContact O-CG 3.45Å; E122-K126 PolarHBondContact O-N 2.8Å; E122-K126 VanDerWaalsContact O-N 3.14Å
123D70.6Confident82.7Confident80 Ų8077.1 Ų77.143%0.42841%0.405SS..Hα-helixtrans-72.5-37.1-179.1-61.7-30.3000110.6S120 E121 K126 L127S120-D123 WeakPolarHBondContact CB-OD2 3.01Å; S120-D123 PolarHBondContact O-N 3.21Å; S120-D123 WeakPolarHBondContact OG-CB 3.44Å; S120-D123 VanDerWaalsContact OG-CG 3.29Å; S120-D123 PolarHBondContact OG-OD2 3.41Å; E121-D123 VanDerWaalsContact C-N 3.27Å; E121-D123 PolarHBondContact O-N 3.33Å; D123-K126 PolarHBondContact O-N 3.07Å; D123-K126 IonicContact OD1-NZ 3.72Å; D123-K126 PolarHBondContact OD1-NZ 2.8Å; D123-L127 WeakPolarHBondContact O-CG 3.36Å
124L72.2Confident82.5Confident25 Ų2578 Ų7813%0.13141%0.409CS..Hα-helixtrans-66.9-37.7174.1-17660.3000112.5W20 L47 E121 K126 L127 K132W20-L124 HydrophobicContact CH2-CB 4.39Å; W20-L124 HydrophobicContact CH2-CD2 3.48Å; W20-L124 VanDerWaalsContact CH2-CD2 3.48Å; W20-L124 HydrophobicContact CZ3-CD2 3.41Å; W20-L124 VanDerWaalsContact CZ3-CD2 3.41Å; L47-L124 HydrophobicContact CB-CD2 4.16Å; L47-L124 HydrophobicContact CD2-CD1 3.9Å; E121-L124 PolarHBondContact O-N 3.37Å; L124-K126 VanDerWaalsContact C-N 3.29Å; L124-K126 PolarHBondContact O-N 3.29Å; L124-L127 HydrophobicContact CD1-CD1 4.11Å; L124-L127 PolarHBondContact O-N 2.85Å; L124-K132 HydrophobicContact CD1-CD 4.36Å; L124-K132 HydrophobicContact CD1-CG 3.89Å; L124-K132 WeakPolarHBondContact O-CE 3.29Å
125N74.6Confident82Confident99 Ų9979.1 Ų79.153%0.52942%0.415SS..Hα-helixtrans-70.4-23.7178.5-76.2-23.2000113.3E121 E122 L127E121-N125 PolarHBondContact O-N 2.82Å; E122-N125 PolarHBondContact O-N 2.81Å; N125-L127 VanDerWaalsContact C-N 3.33Å
126K81.5Confident81.4Confident138 Ų13879 Ų7960%0.641%0.412SS*.Hα-helixtrans-75-20.7173.6-69.9163-157.3160.90113.2E122 D123 L124E122-K126 WeakPolarHBondContact O-CD 3.35Å; E122-K126 WeakPolarHBondContact O-CE 3.33Å; E122-K126 WeakPolarHBondContact O-CG 3.45Å; E122-K126 PolarHBondContact O-N 2.8Å; E122-K126 VanDerWaalsContact O-N 3.14Å; D123-K126 PolarHBondContact O-N 3.07Å; D123-K126 IonicContact OD1-NZ 3.72Å; D123-K126 PolarHBondContact OD1-NZ 2.8Å; L124-K126 VanDerWaalsContact C-N 3.29Å; L124-K126 PolarHBondContact O-N 3.29Å
127L79.9Confident81.1Confident53 Ų5375.9 Ų75.928%0.27740%0.402SS..SBendtrans-78.4136.3-176.7-64.2168.1000111.8D123 L124 N125 E131 K132 V135D123-L127 WeakPolarHBondContact O-CG 3.36Å; L124-L127 HydrophobicContact CD1-CD1 4.11Å; L124-L127 PolarHBondContact O-N 2.85Å; N125-L127 VanDerWaalsContact C-N 3.33Å; L127-E131 HydrophobicContact CB-CB 3.94Å; L127-E131 HydrophobicContact CD2-CB 3.77Å; L127-E131 HydrophobicContact CD2-CG 4.32Å; L127-E131 HydrophobicContact CG-CB 4.34Å; L127-K132 HydrophobicContact CB-CG 3.9Å; L127-K132 VanDerWaalsContact O-CE 3.29Å; L127-K132 WeakPolarHBondContact O-CE 3.29Å; L127-V135 HydrophobicContact CD1-CG2 4.13Å
128T89.3Confident80.8Confident79 Ų7979.3 Ų79.349%0.48542%0.418SS..  trans-62.8161.616764.20000111.1A130 E131 K132T128-A130 PolarHBondContact O-N 3.22Å; T128-E131 WeakPolarHBondContact CB-OE2 3.36Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.44Å; T128-E131 PolarHBondContact N-OE2 2.95Å; T128-E131 PolarHBondContact O-N 3.47Å; T128-E131 VanDerWaalsContact O-N 3.14Å; T128-E131 VanDerWaalsContact OG1-CD 3.31Å; T128-E131 VanDerWaalsContact OG1-CG 3.28Å; T128-E131 WeakPolarHBondContact OG1-CG 3.23Å; T128-E131 PolarHBondContact OG1-N 2.74Å; T128-E131 PolarHBondContact OG1-OE2 2.9Å; T128-K132 WeakPolarHBondContact O-CG 3.48Å; T128-K132 PolarHBondContact O-N 2.77Å
129N87.6Confident80.4Confident136 Ų13675 Ų7573%0.72740%0.4SS*.Hα-helixtrans-59.2-32.8177.1-69.6-23.8000112.9H133N129-H133 WeakPolarHBondContact O-CB 3.47Å; N129-H133 PolarHBondContact O-N 3.42Å
130A88.8Confident80.5Confident74 Ų7478 Ų7861%0.61242%0.416SS*.Hα-helixtrans-68.7-43.3176.200000111.6T128 H133 L134T128-A130 PolarHBondContact O-N 3.22Å; A130-H133 WeakPolarHBondContact O-CB 3.44Å; A130-H133 PolarHBondContact O-N 2.65Å; A130-L134 PolarHBondContact O-N 3.28Å
131E87.9Confident81.1Confident85 Ų8579.7 Ų79.740%0.39742%0.424SS..Hα-helixtrans-65.9-40.9176.1-70.6163.8137.300111.7L127 T128 H133 L134 V135L127-E131 HydrophobicContact CB-CB 3.94Å; L127-E131 HydrophobicContact CD2-CB 3.77Å; L127-E131 HydrophobicContact CD2-CG 4.32Å; L127-E131 HydrophobicContact CG-CB 4.34Å; T128-E131 WeakPolarHBondContact CB-OE2 3.36Å; T128-E131 WeakPolarHBondContact CG2-OE2 3.44Å; T128-E131 PolarHBondContact N-OE2 2.95Å; T128-E131 PolarHBondContact O-N 3.47Å; T128-E131 VanDerWaalsContact O-N 3.14Å; T128-E131 VanDerWaalsContact OG1-CD 3.31Å; T128-E131 VanDerWaalsContact OG1-CG 3.28Å; T128-E131 WeakPolarHBondContact OG1-CG 3.23Å; T128-E131 PolarHBondContact OG1-N 2.74Å; T128-E131 PolarHBondContact OG1-OE2 2.9Å; E131-H133 VanDerWaalsContact C-N 3.26Å; E131-H133 PolarHBondContact O-N 2.68Å; E131-L134 WeakPolarHBondContact O-CB 3.48Å; E131-L134 PolarHBondContact O-N 3.35Å; E131-L134 VanDerWaalsContact O-N 3.12Å; E131-V135 WeakPolarHBondContact O-CG2 3.35Å; E131-V135 PolarHBondContact O-N 2.82Å
132K82.3Confident81.8Confident48 Ų4881.4 Ų81.421%0.20943%0.434CS..Hα-helixtrans-57.4-41.1171.5-71.5176.4175.5173.70111.7L47 L124 L127 T128 L134 K136L47-K132 HydrophobicContact CD1-CB 4.34Å; L124-K132 HydrophobicContact CD1-CD 4.36Å; L124-K132 HydrophobicContact CD1-CG 3.89Å; L124-K132 WeakPolarHBondContact O-CE 3.29Å; L127-K132 HydrophobicContact CB-CG 3.9Å; L127-K132 VanDerWaalsContact O-CE 3.29Å; L127-K132 WeakPolarHBondContact O-CE 3.29Å; T128-K132 WeakPolarHBondContact O-CG 3.48Å; T128-K132 PolarHBondContact O-N 2.77Å; K132-L134 VanDerWaalsContact C-N 3.35Å; K132-K136 WeakPolarHBondContact O-CB 3.45Å; K132-K136 PolarHBondContact O-N 3.26Å
133H85Confident82.4Confident136 Ų13675.9 Ų75.963%0.6341%0.408SS*.Hα-helixtrans-66.2-37.2176.6-16272.8000112.3N129 A130 E131 K136 A137N129-H133 WeakPolarHBondContact O-CB 3.47Å; N129-H133 PolarHBondContact O-N 3.42Å; A130-H133 WeakPolarHBondContact O-CB 3.44Å; A130-H133 PolarHBondContact O-N 2.65Å; E131-H133 VanDerWaalsContact C-N 3.26Å; E131-H133 PolarHBondContact O-N 2.68Å; H133-K136 PolarHBondContact O-N 2.86Å; H133-A137 WeakPolarHBondContact O-CB 3.33Å; H133-A137 PolarHBondContact O-N 2.93Å
134L86.8Confident83.1Confident108 Ų10877 Ų7757%0.56541%0.411SS*.Hα-helixtrans-66.5-46.5175.6-173.663.9000111.9A130 E131 K132 K136 A137 D138A130-L134 PolarHBondContact O-N 3.28Å; E131-L134 WeakPolarHBondContact O-CB 3.48Å; E131-L134 PolarHBondContact O-N 3.35Å; E131-L134 VanDerWaalsContact O-N 3.12Å; K132-L134 VanDerWaalsContact C-N 3.35Å; L134-K136 VanDerWaalsContact C-N 3.28Å; L134-K136 PolarHBondContact O-N 3.07Å; L134-A137 PolarHBondContact O-N 3.42Å; L134-A137 VanDerWaalsContact O-N 3.09Å; L134-D138 PolarHBondContact O-N 3.4Å
135V81.4Confident83.7Confident59 Ų5979.1 Ų79.136%0.35842%0.422SS..Hα-helixtrans-56.9-44175.2171.60000110.9L127 E131 D138 S139L127-V135 HydrophobicContact CD1-CG2 4.13Å; E131-V135 WeakPolarHBondContact O-CG2 3.35Å; E131-V135 PolarHBondContact O-N 2.82Å; V135-D138 PolarHBondContact O-N 2.91Å; V135-S139 PolarHBondContact O-N 3.21Å
136K81.5Confident83.8Confident66 Ų6677 Ų7729%0.28741%0.407SS..Hα-helixtrans-61.3-45.1175.2-178.3179-178.9-59.90112P46 K132 H133 L134 D138 S139 D140P46-K136 HydrophobicContact CB-CD 4.09Å; P46-K136 HydrophobicContact CB-CG 3.84Å; P46-K136 HydrophobicContact CG-CD 4.35Å; K132-K136 WeakPolarHBondContact O-CB 3.45Å; K132-K136 PolarHBondContact O-N 3.26Å; H133-K136 PolarHBondContact O-N 2.86Å; L134-K136 VanDerWaalsContact C-N 3.28Å; L134-K136 PolarHBondContact O-N 3.07Å; K136-D138 VanDerWaalsContact C-N 3.34Å; K136-D138 PolarHBondContact O-N 3.42Å; K136-S139 PolarHBondContact O-N 3.3Å; K136-D140 IonicContact NZ-OD2 2.77Å; K136-D140 PolarHBondContact NZ-OD2 3.25Å; K136-D140 WeakPolarHBondContact O-CB 3.38Å; K136-D140 PolarHBondContact O-N 3.41Å
137A84.8Confident83.8Confident39 Ų3974 Ų7432%0.32240%0.395SS..Hα-helixtrans-63.4-38.8179.100000112.4H133 L134 T141H133-A137 WeakPolarHBondContact O-CB 3.33Å; H133-A137 PolarHBondContact O-N 2.93Å; L134-A137 PolarHBondContact O-N 3.42Å; L134-A137 VanDerWaalsContact O-N 3.09Å; A137-T141 WeakPolarHBondContact O-CB 3.39Å; A137-T141 PolarHBondContact O-N 3.41Å; A137-T141 PolarHBondContact O-OG1 2.97Å
138D84.8Confident84Confident96 Ų9678.8 Ų78.851%0.51341%0.409SS..Hα-helixtrans-64.5-43.6174.8-75.1-14.1000111.3L134 V135 K136 T141 M142L134-D138 PolarHBondContact O-N 3.4Å; V135-D138 PolarHBondContact O-N 2.91Å; K136-D138 VanDerWaalsContact C-N 3.34Å; K136-D138 PolarHBondContact O-N 3.42Å; D138-T141 WeakPolarHBondContact O-CB 3.4Å; D138-T141 PolarHBondContact O-N 2.89Å; D138-M142 WeakPolarHBondContact O-CB 3.38Å; D138-M142 VanDerWaalsContact O-CG 3.28Å; D138-M142 WeakPolarHBondContact O-CG 3.4Å; D138-M142 PolarHBondContact O-N 3.33Å
139S78.8Confident83.7Confident18 Ų1879.2 Ų79.213%0.12641%0.406CS..Hα-helixtrans-62.3-46.3175.6-1780000112.6E51 V135 K136 T141 M142 N143E51-S139 WeakPolarHBondContact OE1-CB 3.17Å; E51-S139 PolarHBondContact OE1-OG 3.21Å; V135-S139 PolarHBondContact O-N 3.21Å; K136-S139 PolarHBondContact O-N 3.3Å; S139-T141 VanDerWaalsContact C-N 3.3Å; S139-T141 PolarHBondContact O-N 2.89Å; S139-M142 PolarHBondContact O-N 2.96Å; S139-N143 WeakPolarHBondContact O-CB 3.32Å; S139-N143 PolarHBondContact O-N 2.83Å; S139-N143 PolarHBondContact O-ND2 2.9Å
140D82.5Confident83.2Confident74 Ų7478.2 Ų78.240%0.39639%0.392SS..Hα-helixtrans-59.1-43.7175.9-73.1-25.6000110.6K136 N143 E144K136-D140 IonicContact NZ-OD2 2.77Å; K136-D140 PolarHBondContact NZ-OD2 3.25Å; K136-D140 WeakPolarHBondContact O-CB 3.38Å; K136-D140 PolarHBondContact O-N 3.41Å; D140-N143 PolarHBondContact O-N 2.82Å; D140-E144 PolarHBondContact O-N 3.43Å
141T88.4Confident82.7Confident73 Ų7378.5 Ų78.545%0.44839%0.389SS..Hα-helixtrans-61.8-46.4176-59.70000111.7A137 D138 S139 E144 I145A137-T141 WeakPolarHBondContact O-CB 3.39Å; A137-T141 PolarHBondContact O-N 3.41Å; A137-T141 PolarHBondContact O-OG1 2.97Å; D138-T141 WeakPolarHBondContact O-CB 3.4Å; D138-T141 PolarHBondContact O-N 2.89Å; S139-T141 VanDerWaalsContact C-N 3.3Å; S139-T141 PolarHBondContact O-N 2.89Å; T141-E144 PolarHBondContact O-N 2.91Å; T141-I145 HydrophobicContact CG2-CD1 4.02Å; T141-I145 WeakPolarHBondContact O-CG1 3.46Å; T141-I145 PolarHBondContact O-N 2.86Å
142M82.9Confident82.5Confident82 Ų8279.6 Ų79.640%0.40440%0.397SS..Hα-helixtrans-62.2-45.1177.9-74.1-63.5-71.200111.4D138 S139 E144 I145 Y146D138-M142 WeakPolarHBondContact O-CB 3.38Å; D138-M142 VanDerWaalsContact O-CG 3.28Å; D138-M142 WeakPolarHBondContact O-CG 3.4Å; D138-M142 PolarHBondContact O-N 3.33Å; S139-M142 PolarHBondContact O-N 2.96Å; M142-E144 VanDerWaalsContact C-N 3.3Å; M142-E144 PolarHBondContact O-N 2.98Å; M142-I145 PolarHBondContact O-N 2.68Å; M142-I145 HydrophobicContact SD-CD1 4.4Å; M142-Y146 HydrophobicContact CB-CE2 4.36Å; M142-Y146 HydrophobicContact CE-CE2 3.76Å; M142-Y146 WeakPolarHBondContact O-CD2 3.21Å; M142-Y146 PolarHBondContact O-N 3.42Å
143N78.7Confident82.3Confident25 Ų2581.9 Ų81.913%0.13441%0.411CS..Hα-helixtrans-56.6-43.5174.7-84.1-40.6000111.9S139 D140 Y146 Q147S139-N143 WeakPolarHBondContact O-CB 3.32Å; S139-N143 PolarHBondContact O-N 2.83Å; S139-N143 PolarHBondContact O-ND2 2.9Å; D140-N143 PolarHBondContact O-N 2.82Å; N143-Y146 PolarHBondContact O-N 2.84Å; N143-Q147 WeakPolarHBondContact O-CG 3.39Å; N143-Q147 PolarHBondContact O-N 3.39Å
144E84.7Confident82.1Confident103 Ų10380.4 Ų80.448%0.48140%0.402SS..Hα-helixtrans-65.2-43.3176.9-171.6173.1-174.100112.3D140 T141 M142 Y146 Q147 R148D140-E144 PolarHBondContact O-N 3.43Å; T141-E144 PolarHBondContact O-N 2.91Å; M142-E144 VanDerWaalsContact C-N 3.3Å; M142-E144 PolarHBondContact O-N 2.98Å; E144-Y146 VanDerWaalsContact C-N 3.31Å; E144-Y146 PolarHBondContact O-N 3.39Å; E144-Q147 PolarHBondContact O-N 2.89Å; E144-R148 HydrophobicContact CG-CG 4.42Å; E144-R148 WeakPolarHBondContact O-CB 3.12Å; E144-R148 WeakPolarHBondContact O-CG 3.3Å; E144-R148 PolarHBondContact O-N 3.29Å; E144-R148 IonicContact OE1-CZ 2.65Å; E144-R148 VanDerWaalsContact OE1-CZ 3.24Å; E144-R148 IonicContact OE1-NE 3.82Å; E144-R148 PolarHBondContact OE1-NE 3.11Å; E144-R148 VanDerWaalsContact OE1-NE 3.16Å; E144-R148 IonicContact OE1-NH2 3.22Å; E144-R148 PolarHBondContact OE1-NH2 3.47Å; E144-R148 IonicContact OE2-NH2 3.83Å
145I84.7Confident81.8Confident70 Ų7077.7 Ų77.736%0.35940%0.396SS..Hα-helixtrans-57.3-45.5175.5-69.4167000110.4T141 M142 R148 Q149T141-I145 HydrophobicContact CG2-CD1 4.02Å; T141-I145 WeakPolarHBondContact O-CG1 3.46Å; T141-I145 PolarHBondContact O-N 2.86Å; M142-I145 PolarHBondContact O-N 2.68Å; M142-I145 HydrophobicContact SD-CD1 4.4Å; I145-R148 PolarHBondContact O-N 3.36Å; I145-Q149 HydrophobicContact CG2-CG 4.47Å; I145-Q149 WeakPolarHBondContact O-CG 3.3Å; I145-Q149 PolarHBondContact O-N 2.9Å
146Y78Confident81.6Confident56 Ų5679.3 Ų79.322%0.2240%0.402CS..Hα-helixtrans-65.1-41.4178.4-73.9-60.8000112.8L56 M142 N143 E144 Q149 R150L56-Y146 HydrophobicContact CD1-CD2 4.29Å; L56-Y146 HydrophobicContact CD1-CE2 3.48Å; L56-Y146 VanDerWaalsContact CD1-CE2 3.48Å; M142-Y146 HydrophobicContact CB-CE2 4.36Å; M142-Y146 HydrophobicContact CE-CE2 3.76Å; M142-Y146 WeakPolarHBondContact O-CD2 3.21Å; M142-Y146 PolarHBondContact O-N 3.42Å; N143-Y146 PolarHBondContact O-N 2.84Å; E144-Y146 VanDerWaalsContact C-N 3.31Å; E144-Y146 PolarHBondContact O-N 3.39Å; Y146-Q149 PolarHBondContact O-N 2.89Å; Y146-R150 WeakPolarHBondContact O-CB 3.43Å; Y146-R150 PolarHBondContact O-N 3.36Å
147Q80.6Confident81.6Confident73 Ų7381.6 Ų81.634%0.34141%0.414SS..Hα-helixtrans-64.1-41.7175.5-66.7-58.4-16.200111.6N143 E144 R150 C151N143-Q147 WeakPolarHBondContact O-CG 3.39Å; N143-Q147 PolarHBondContact O-N 3.39Å; E144-Q147 PolarHBondContact O-N 2.89Å; Q147-R150 PolarHBondContact O-N 3.15Å; Q147-C151 WeakPolarHBondContact O-CB 3.32Å; Q147-C151 PolarHBondContact O-N 3.44Å; Q147-C151 PolarHBondContact O-SG 3.48Å; Q147-C151 VanDerWaalsContact O-SG 3.41Å
148R84.3Confident81.3Confident154 Ų15484.4 Ų84.458%0.58142%0.423SS*.Hα-helixtrans-61.5-47.4175.7-72.9178.5-177.6-171.52.3111.3E144 I145 R150 C151 L152E144-R148 HydrophobicContact CG-CG 4.42Å; E144-R148 WeakPolarHBondContact O-CB 3.12Å; E144-R148 WeakPolarHBondContact O-CG 3.3Å; E144-R148 PolarHBondContact O-N 3.29Å; E144-R148 IonicContact OE1-CZ 2.65Å; E144-R148 VanDerWaalsContact OE1-CZ 3.24Å; E144-R148 IonicContact OE1-NE 3.82Å; E144-R148 PolarHBondContact OE1-NE 3.11Å; E144-R148 VanDerWaalsContact OE1-NE 3.16Å; E144-R148 IonicContact OE1-NH2 3.22Å; E144-R148 PolarHBondContact OE1-NH2 3.47Å; E144-R148 IonicContact OE2-NH2 3.83Å; I145-R148 PolarHBondContact O-N 3.36Å; R148-R150 VanDerWaalsContact C-N 3.31Å; R148-R150 PolarHBondContact O-N 3.29Å; R148-C151 PolarHBondContact O-N 3.01Å; R148-L152 WeakPolarHBondContact O-CB 3.35Å; R148-L152 VanDerWaalsContact O-CG 3.29Å; R148-L152 WeakPolarHBondContact O-CG 3.29Å; R148-L152 PolarHBondContact O-N 2.93Å
149Q82.7Confident81.1Confident88 Ų8881.8 Ų81.841%0.41141%0.414SS..Hα-helixtrans-59.1-41.7175.9-73.4180600112.1I145 Y146 L152 L153I145-Q149 HydrophobicContact CG2-CG 4.47Å; I145-Q149 WeakPolarHBondContact O-CG 3.3Å; I145-Q149 PolarHBondContact O-N 2.9Å; Y146-Q149 PolarHBondContact O-N 2.89Å; Q149-L152 PolarHBondContact O-N 2.87Å; Q149-L153 WeakPolarHBondContact O-CG 3.48Å; Q149-L153 PolarHBondContact O-N 2.83Å
150R78.2Confident81Confident115 Ų11585 Ų8543%0.43443%0.43SS..Hα-helixtrans-66.7-41.1177.2-178177.9165.7-139.26.2112.6Y146 Q147 R148 L152 L153 K154Y146-R150 WeakPolarHBondContact O-CB 3.43Å; Y146-R150 PolarHBondContact O-N 3.36Å; Q147-R150 PolarHBondContact O-N 3.15Å; R148-R150 VanDerWaalsContact C-N 3.31Å; R148-R150 PolarHBondContact O-N 3.29Å; R150-L152 VanDerWaalsContact C-N 3.35Å; R150-L153 PolarHBondContact O-N 2.9Å; R150-K154 WeakPolarHBondContact O-CG 3.35Å; R150-K154 PolarHBondContact O-N 3.32Å; R150-K154 VanDerWaalsContact O-N 3.07Å
151C78.1Confident80.6Confident81 Ų8187.9 Ų87.955%0.54744%0.436SS..Hα-helixtrans-61.9-44173.3-76.70000111.1Q147 R148 K154 A155Q147-C151 WeakPolarHBondContact O-CB 3.32Å; Q147-C151 PolarHBondContact O-N 3.44Å; Q147-C151 PolarHBondContact O-SG 3.48Å; Q147-C151 VanDerWaalsContact O-SG 3.41Å; R148-C151 PolarHBondContact O-N 3.01Å; C151-K154 PolarHBondContact O-N 3.16Å; C151-A155 WeakPolarHBondContact O-CB 3.46Å; C151-A155 PolarHBondContact O-N 2.98Å
152L82.8Confident79.8Confident108 Ų10890.7 Ų90.757%0.56545%0.447SS*.Hα-helixtrans-61.6-44175.7-72.8167000112R148 Q149 R150 K154 A155 N156R148-L152 WeakPolarHBondContact O-CB 3.35Å; R148-L152 VanDerWaalsContact O-CG 3.29Å; R148-L152 WeakPolarHBondContact O-CG 3.29Å; R148-L152 PolarHBondContact O-N 2.93Å; Q149-L152 PolarHBondContact O-N 2.87Å; R150-L152 VanDerWaalsContact C-N 3.35Å; L152-K154 PolarHBondContact O-N 3.42Å; L152-A155 PolarHBondContact O-N 3.28Å; L152-N156 WeakPolarHBondContact O-CB 3.22Å; L152-N156 VanDerWaalsContact O-CG 3.26Å; L152-N156 PolarHBondContact O-N 2.9Å; L152-N156 PolarHBondContact O-ND2 2.89Å
153L79.3Confident79.5Confident96 Ų9694.4 Ų94.450%0.50346%0.464SS..Hα-helixtrans-60.5-44.9177.1-76.2169.6000111.9Q149 R150 N156 E157Q149-L153 WeakPolarHBondContact O-CG 3.48Å; Q149-L153 PolarHBondContact O-N 2.83Å; R150-L153 PolarHBondContact O-N 2.9Å; L153-N156 PolarHBondContact O-N 3.32Å; L153-E157 WeakPolarHBondContact O-CB 3.42Å; L153-E157 PolarHBondContact O-N 2.97Å
154K80.7Confident78.9Confident105 Ų105102.2 Ų102.246%0.45749%0.491SS..Hα-helixtrans-65.3-41.3176.1-72177.5179.7179.30112.2R150 C151 L152 E157 L158R150-K154 WeakPolarHBondContact O-CG 3.35Å; R150-K154 PolarHBondContact O-N 3.32Å; R150-K154 VanDerWaalsContact O-N 3.07Å; C151-K154 PolarHBondContact O-N 3.16Å; L152-K154 PolarHBondContact O-N 3.42Å; K154-E157 PolarHBondContact O-N 3.46Å; K154-L158 WeakPolarHBondContact O-CG 3.47Å; K154-L158 PolarHBondContact O-N 2.94Å
155A80.2Confident77.4Confident51 Ų51104.2 Ų104.242%0.42150%0.5SS..Hα-helixtrans-62.8-42.9176.900000111.3C151 L152 L158 A159C151-A155 WeakPolarHBondContact O-CB 3.46Å; C151-A155 PolarHBondContact O-N 2.98Å; L152-A155 PolarHBondContact O-N 3.28Å; A155-L158 PolarHBondContact O-N 3.29Å; A155-A159 WeakPolarHBondContact O-CB 3.32Å; A155-A159 PolarHBondContact O-N 3.27Å
156N77.8Confident75.5Confident92 Ų92105 Ų10549%0.49253%0.526SS..Hα-helixtrans-65.8-38.8175.3-71.6-17.4000112L152 L153 A159 N160L152-N156 WeakPolarHBondContact O-CB 3.22Å; L152-N156 VanDerWaalsContact O-CG 3.26Å; L152-N156 PolarHBondContact O-N 2.9Å; L152-N156 PolarHBondContact O-ND2 2.89Å; L153-N156 PolarHBondContact O-N 3.32Å; N156-A159 PolarHBondContact O-N 2.96Å; N156-N160 VanDerWaalsContact O-CB 3.32Å; N156-N160 WeakPolarHBondContact O-CB 3.45Å; N156-N160 PolarHBondContact O-N 3.27Å; N156-N160 PolarHBondContact O-ND2 2.96Å
157E80.3Confident73.7Confident115 Ų115105.5 Ų105.554%0.53755%0.548SS..Hα-helixtrans-60.8-44.9173.2-170.1-173163.800111.3L153 K154 N160 R161L153-E157 WeakPolarHBondContact O-CB 3.42Å; L153-E157 PolarHBondContact O-N 2.97Å; K154-E157 PolarHBondContact O-N 3.46Å; E157-N160 PolarHBondContact O-N 3.27Å; E157-R161 WeakPolarHBondContact O-CB 3.12Å; E157-R161 VanDerWaalsContact O-CG 3.22Å; E157-R161 WeakPolarHBondContact O-CG 3.28Å; E157-R161 PolarHBondContact O-N 3.28Å
158L78.9Confident71.9Confident97 Ų97112.7 Ų112.751%0.50858%0.578SS.*Hα-helixtrans-64-44.6175.3-71.3171000111.9K154 A155 N160 R161 L162K154-L158 WeakPolarHBondContact O-CG 3.47Å; K154-L158 PolarHBondContact O-N 2.94Å; A155-L158 PolarHBondContact O-N 3.29Å; L158-N160 PolarHBondContact O-N 2.82Å; L158-R161 WeakPolarHBondContact O-CB 3.34Å; L158-R161 PolarHBondContact O-N 3.2Å; L158-R161 VanDerWaalsContact O-N 3.15Å; L158-L162 WeakPolarHBondContact O-CG 3.49Å; L158-L162 PolarHBondContact O-N 3.37Å
159A79.9Confident69.8Low41 Ų41108.7 Ų108.734%0.33959%0.585SS.*Hα-helixtrans-61.1-44.5177.100000111.8A155 N156 R161 L162 Q163A155-A159 WeakPolarHBondContact O-CB 3.32Å; A155-A159 PolarHBondContact O-N 3.27Å; N156-A159 PolarHBondContact O-N 2.96Å; A159-R161 VanDerWaalsContact C-N 3.28Å; A159-R161 PolarHBondContact O-N 3.23Å; A159-L162 PolarHBondContact O-N 3.38Å; A159-Q163 WeakPolarHBondContact O-CG 3.29Å; A159-Q163 PolarHBondContact O-N 3.23Å
160N77Confident67.7Low86 Ų86112.3 Ų112.346%0.4661%0.607SS.*Hα-helixtrans-65.9-29.1175.5-72.6-23.4000112.8N156 E157 L158 R164N156-N160 VanDerWaalsContact O-CB 3.32Å; N156-N160 WeakPolarHBondContact O-CB 3.45Å; N156-N160 PolarHBondContact O-N 3.27Å; N156-N160 PolarHBondContact O-ND2 2.96Å; E157-N160 PolarHBondContact O-N 3.27Å; L158-N160 PolarHBondContact O-N 2.82Å; N160-R164 WeakPolarHBondContact O-CB 3.47Å; N160-R164 WeakPolarHBondContact O-CG 3.47Å; N160-R164 PolarHBondContact O-N 2.68Å; N160-R164 PolarHBondContact O-NE 3.49Å
161R73.8Confident65.9Low135 Ų135109.6 Ų109.651%0.50962%0.615SS.*Hα-helixtrans-72.1-42.7172.4-74.8170.863.7176.2-1.3111.3E157 L158 A159 R164 H165E157-R161 WeakPolarHBondContact O-CB 3.12Å; E157-R161 VanDerWaalsContact O-CG 3.22Å; E157-R161 WeakPolarHBondContact O-CG 3.28Å; E157-R161 PolarHBondContact O-N 3.28Å; L158-R161 WeakPolarHBondContact O-CB 3.34Å; L158-R161 PolarHBondContact O-N 3.2Å; L158-R161 VanDerWaalsContact O-N 3.15Å; A159-R161 VanDerWaalsContact C-N 3.28Å; A159-R161 PolarHBondContact O-N 3.23Å; R161-R164 PolarHBondContact O-N 2.98Å; R161-H165 PolarHBondContact O-N 2.88Å
162L72.8Confident63.9Low132 Ų132111.6 Ų111.669%0.69163%0.625SS**Hα-helixtrans-65.2-37.1176.1-70.4171.4000112.2L158 A159 H165L158-L162 WeakPolarHBondContact O-CG 3.49Å; L158-L162 PolarHBondContact O-N 3.37Å; A159-L162 PolarHBondContact O-N 3.38Å; L162-H165 CarbonylContact O-C 3.36Å; L162-H165 VanDerWaalsContact O-O 3.06Å
163Q77Confident62.1Low159 Ų159112.3 Ų112.374%0.74363%0.634SS**Hα-helixtrans-68.9-32.8174.5-72.8-177.3-3.700112.9A159A159-Q163 WeakPolarHBondContact O-CG 3.29Å; A159-Q163 PolarHBondContact O-N 3.23Å
164R64.9Low60Low189 Ų189117.1 Ų117.171%0.71365%0.651SS**Hα-helixtrans-79.7-27.4177.4-76.7-171.6-70.4164-4.3113.7N160 R161N160-R164 WeakPolarHBondContact O-CB 3.47Å; N160-R164 WeakPolarHBondContact O-CG 3.47Å; N160-R164 PolarHBondContact O-N 2.68Å; N160-R164 PolarHBondContact O-NE 3.49Å; R161-R164 PolarHBondContact O-N 2.98Å
165H54.5Low58Low145 Ų145119.3 Ų119.367%0.67167%0.667SS**  trans-115.687.5175.7-73.6-84.5000109.5R161 L162 G167R161-H165 PolarHBondContact O-N 2.88Å; L162-H165 CarbonylContact O-C 3.36Å; L162-H165 VanDerWaalsContact O-O 3.06Å; H165-G167 PolarHBondContact O-N 3.39Å
166G43.5Very low55.9Low87 Ų87120 Ų12090%0.89768%0.679SS**  trans-59.5105.3157.800000108.4
167G40.2Very low53.8Low66 Ų66122 Ų12268%0.6869%0.694SS**SBendtrans151.8110.8176.700000114.5H165H165-G167 PolarHBondContact O-N 3.39Å
168F42.7Very low51.5Low224 Ų224127 Ų12798%0.98271%0.708SS**  trans-54.5125.1171.5-161.7-100.4000111.6
169G40.6Very low49.3Very low70 Ų70127.3 Ų127.372%0.72271%0.714SS**  trans-149.2110176.100000111.4G171G169-G171 PolarHBondContact O-N 3.26Å
170D39.5Very low46.9Very low164 Ų164129.7 Ų129.788%0.87773%0.727SS**  trans-56.7120.7174-179.430.8000110.7
171G39.4Very low44.8Very low58 Ų58129.8 Ų129.860%0.59873%0.731SS**  trans-141.294-172.200000111.1G169 V173G169-G171 PolarHBondContact O-N 3.26Å; G171-V173 PolarHBondContact O-N 3Å
172T35.5Very low42.6Very low124 Ų124130.1 Ų130.176%0.76174%0.743SS**  trans-44.3117.1172.7430000112.7K174T172-K174 PolarHBondContact O-N 2.88Å
173V44.7Very low40.7Very low123 Ų123130.9 Ų130.975%0.74574%0.738SS**  trans-72.4107.6172.4177.20000108.9G171 N175G171-V173 PolarHBondContact O-N 3Å; V173-N175 PolarHBondContact O-N 3.09Å; V173-N175 VanDerWaalsContact O-N 3.15Å
174K36.3Very low38.6Very low197 Ų197126.4 Ų126.486%0.85773%0.734SS**  trans-71.9103.7167-66.8-174.5179.2-177.90108.2T172 G176T172-K174 PolarHBondContact O-N 2.88Å; K174-G176 PolarHBondContact O-N 3.09Å
175N37.8Very low36.9Very low150 Ų150127.1 Ų127.180%0.80274%0.738SS**  trans-61.3102.7170.3-83.9-40000108.9V173 V177V173-N175 PolarHBondContact O-N 3.09Å; V173-N175 VanDerWaalsContact O-N 3.15Å; N175-V177 PolarHBondContact O-N 3.18Å
176G35.8Very low35.9Very low65 Ų65124.8 Ų124.867%0.6774%0.744SS**  trans-57.6129.8171.900000110.1K174 R178K174-G176 PolarHBondContact O-N 3.09Å; G176-R178 PolarHBondContact O-N 3.02Å; G176-R178 VanDerWaalsContact O-N 3.1Å
177V34.9Very low35.6Very low134 Ų134127.2 Ų127.281%0.81274%0.736SS**  trans-52.4113.71781770000109.4N175 T179N175-V177 PolarHBondContact O-N 3.18Å; V177-T179 HydrophobicContact CG1-CG2 4.42Å; V177-T179 PolarHBondContact O-N 2.86Å
178R31.5Very low35.1Very low221 Ų221127.7 Ų127.783%0.83474%0.741SS**  trans-77102.4172.5-74.5179.3176.5170.7-1.5108.5G176G176-R178 PolarHBondContact O-N 3.02Å; G176-R178 VanDerWaalsContact O-N 3.1Å
179T32.5Very low34.7Very low103 Ų103123.2 Ų123.263%0.63273%0.732SS**  trans-88.5107.8159.350.40000108R31 V177R31-T179 PolarHBondContact NH1-O 2.87Å; V177-T179 HydrophobicContact CG1-CG2 4.42Å; V177-T179 PolarHBondContact O-N 2.86Å
180C30Very low34.2Very low91 Ų91128.1 Ų128.162%0.61574%0.736SS**  trans-101.1109.3165.6-470000105.4
181V33.2Very low34.1Very low89 Ų89133.1 Ų133.154%0.53975%0.753SS.*  trans-100.899.6171-1710000106.3Y183V181-Y183 HydrophobicContact CB-CE2 4.33Å; V181-Y183 HydrophobicContact CG1-CD2 4.15Å; V181-Y183 HydrophobicContact CG1-CE2 3.8Å; V181-Y183 PolarHBondContact O-N 2.73Å
182N26.7Very low33.8Very low141 Ų141136.9 Ų136.975%0.75476%0.761SS**  trans-71.4110.6168-93.6-18.6000107.7G184N182-G184 PolarHBondContact O-N 3.22Å; N182-G184 VanDerWaalsContact O-N 3.08Å
183Y33.3Very low33.7Very low149 Ų149137.5 Ų137.558%0.58476%0.761SS**  trans-82.565.2163.1-75.2-85000108.9V181V181-Y183 HydrophobicContact CB-CE2 4.33Å; V181-Y183 HydrophobicContact CG1-CD2 4.15Å; V181-Y183 HydrophobicContact CG1-CE2 3.8Å; V181-Y183 PolarHBondContact O-N 2.73Å
184G33.2Very low33.1Very low64 Ų64138.3 Ų138.366%0.6676%0.762SS**  trans-91.7109.9163.700000107.9N182 A186N182-G184 PolarHBondContact O-N 3.22Å; N182-G184 VanDerWaalsContact O-N 3.08Å; G184-A186 PolarHBondContact O-N 2.61Å; G184-A186 VanDerWaalsContact O-N 3.13Å
185Y29Very low32.9Very low204 Ų204134.9 Ų134.980%0.876%0.757SS**  trans-62.2114.3166.9-100.5-95000107.8N187Y185-N187 VanDerWaalsContact C-N 3.28Å; Y185-N187 PolarHBondContact O-N 3.33Å
186A34.3Very low32.6Very low97 Ų97133.9 Ų133.980%0.80275%0.754SS**  trans-6791.2166.400000108G184 G188G184-A186 PolarHBondContact O-N 2.61Å; G184-A186 VanDerWaalsContact O-N 3.13Å; A186-G188 PolarHBondContact O-N 3.32Å; A186-G188 VanDerWaalsContact O-N 3.1Å
187N35.8Very low32.4Very low138 Ų138138.5 Ų138.574%0.73876%0.759SS**  trans-76.286.7154.7-77.3-35.6000106.6Y185 V189Y185-N187 VanDerWaalsContact C-N 3.28Å; Y185-N187 PolarHBondContact O-N 3.33Å; N187-V189 HydrophobicContact CB-CG2 4.37Å; N187-V189 PolarHBondContact O-N 2.79Å
188G31.1Very low32.2Very low76 Ų76138.9 Ų138.978%0.78476%0.755SS**  trans-66.5109.6152.800000106.8A186A186-G188 PolarHBondContact O-N 3.32Å; A186-G188 VanDerWaalsContact O-N 3.1Å
189V34.4Very low32.2Very low129 Ų129132.5 Ų132.578%0.78275%0.749SS**  trans-110.4126162.9-159.40000106.3N187N187-V189 HydrophobicContact CB-CG2 4.37Å; N187-V189 PolarHBondContact O-N 2.79Å
190E29.4Very low32.2Very low173 Ų173135 Ų13581%0.80876%0.759SS**  trans-61.5153.1-171-63.3164.7124.500114
191H36.1Very low32.4Very low269 Ų269139 Ų139100%1.24577%0.772SS**  trans-127.60138.3-89.8-58.4000108.8

Retrieved 191 of 191 residues in 76 ms (Link to these results)

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