A0A5K4FEH6_SCHMA Loading...

Large ribosomal subunit protein uL23m AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FEH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.9Very low55.2Low227 Ų227111.5 Ų111.5100%1.11858%0.583SS**  0110.20-66.3-67.5175.100107.8G3M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.14Å
2P48.8Very low54.3Low134 Ų134110.7 Ų110.787%0.8759%0.589SS**  trans-66.496.5166.627.6-28.1000106.8V4P2-V4 PolarHBondContact O-N 3.32Å
3G57.8Low54Low57 Ų57113.1 Ų113.159%0.58860%0.6SS**  trans-57.7132.1-179.400000109.9M1 R5M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 3.14Å; G3-R5 PolarHBondContact O-N 3.09Å
4V62.9Low53.6Low145 Ų145112.7 Ų112.788%0.87961%0.609SS**  trans-52112.6173176.10000107.5P2P2-V4 PolarHBondContact O-N 3.32Å
5R52.6Low53.4Low169 Ų169110.9 Ų110.964%0.63860%0.598SS**PPolyproline II helixtrans-69.2129.5-176.3-66.7-173.6-175.3-166.83108.5G3 V7 H39G3-R5 PolarHBondContact O-N 3.09Å; R5-V7 PolarHBondContact O-N 3.24Å; R5-V7 VanDerWaalsContact O-N 3.15Å; R5-H39 VanDerWaalsContact CB-NE2 3.27Å; R5-H39 WeakPolarHBondContact CB-NE2 3.49Å; R5-H39 WeakPolarHBondContact CD-NE2 3.41Å; R5-H39 VanDerWaalsContact CG-NE2 3.27Å; R5-H39 WeakPolarHBondContact CG-NE2 3.36Å
6P61.5Low53Low48 Ų48109.4 Ų109.431%0.31260%0.596SS.*PPolyproline II helixtrans-66.3119.1178.829.6-32.9000108.4P32P6-P32 HydrophobicContact CB-CB 3.65Å; P6-P32 HydrophobicContact CB-CG 3.8Å; P6-P32 HydrophobicContact CG-CB 4.31Å; P6-P32 HydrophobicContact CG-CG 4.29Å
7V58.3Low52.8Low47 Ų47115.9 Ų115.929%0.28562%0.617SS.*PPolyproline II helixtrans-92.8152.3173.8-1790000107.6R5 F9 F44R5-V7 PolarHBondContact O-N 3.24Å; R5-V7 VanDerWaalsContact O-N 3.15Å; V7-F9 HydrophobicContact CB-CE2 4.41Å; V7-F9 HydrophobicContact CB-CZ 4.46Å; V7-F9 WeakPolarHBondContact O-CD2 3.23Å; V7-F9 WeakPolarHBondContact O-CE2 3.3Å; V7-F9 PolarHBondContact O-N 2.91Å; V7-F44 HydrophobicContact CG1-CD2 4.08Å; V7-F44 HydrophobicContact CG1-CE2 4.46Å; V7-F44 HydrophobicContact CG2-CE2 4.19Å
8I64Low53.1Low23 Ų23114.1 Ų114.112%0.11861%0.611CS.*  trans-61.4105.2169-67.7154.4000107.6V29 Y31 V41 C43I8-V29 HydrophobicContact CG2-CG1 3.7Å; I8-Y31 HydrophobicContact CD1-CD1 3.81Å; I8-Y31 HydrophobicContact CD1-CE1 3.41Å; I8-Y31 VanDerWaalsContact CD1-CE1 3.41Å; I8-Y31 HydrophobicContact CG1-CD1 3.64Å; I8-Y31 HydrophobicContact CG1-CE1 3.74Å; I8-V41 HydrophobicContact CD1-CG1 4.22Å; I8-V41 HydrophobicContact CG1-CG1 3.7Å; I8-C43 HydrophobicContact CD1-CB 3.41Å; I8-C43 VanDerWaalsContact CD1-CB 3.41Å
9F53.9Low53.4Low134 Ų134115.8 Ų115.859%0.58863%0.626SS**  trans-87.5116176.3-72.2-78.8000108.1V7 R11V7-F9 HydrophobicContact CB-CE2 4.41Å; V7-F9 HydrophobicContact CB-CZ 4.46Å; V7-F9 WeakPolarHBondContact O-CD2 3.23Å; V7-F9 WeakPolarHBondContact O-CE2 3.3Å; V7-F9 PolarHBondContact O-N 2.91Å; F9-R11 PolarHBondContact O-N 3.46Å
10I57Low53.8Low73 Ų73113.3 Ų113.337%0.37461%0.61SS.*  trans-62.9121.7146.4-52.4172.6000103.2P47I10-P47 HydrophobicContact CD1-CB 4.08Å; I10-P47 HydrophobicContact CG1-CB 4.48Å
11R51.8Low54.5Low170 Ų170114.9 Ų114.964%0.64261%0.609SS**  trans-41.1127.8171.8-75.7-167.8-176-177.54.7107.3F9 E30F9-R11 PolarHBondContact O-N 3.46Å; R11-E30 IonicContact CZ-OE1 3.37Å; R11-E30 IonicContact CZ-OE2 3.62Å; R11-E30 IonicContact NE-OE1 3.33Å; R11-E30 PolarHBondContact NE-OE1 3.4Å; R11-E30 IonicContact NE-OE2 2.86Å; R11-E30 PolarHBondContact NE-OE2 3.06Å; R11-E30 IonicContact NH2-OE1 2.73Å; R11-E30 PolarHBondContact NH2-OE1 3.04Å; R11-E30 IonicContact NH2-OE2 3.48Å; R11-E30 PolarHBondContact NH2-OE2 2.81Å
12P44.2Very low55.9Low101 Ų101108.9 Ų108.966%0.65658%0.576SS**  trans-51.1155.3-168.419.8-32.2000109.5C14P12-C14 PolarHBondContact O-N 2.74Å
13I50.9Low57.1Low142 Ų142103.3 Ų103.373%0.72854%0.54SS*.SBendtrans-63.437.3-179.9-51.3155.4000111.3L15I13-L15 HydrophobicContact CG2-CG 4.39Å; I13-L15 PolarHBondContact O-N 3.15Å
14C48.5Very low57.7Low108 Ų108105 Ų10573%0.7354%0.535SS*.  trans-6582.8143.3-80.30000106.9P12 P16P12-C14 PolarHBondContact O-N 2.74Å; C14-P16 WeakPolarHBondContact O-CD 3.33Å
15L49.4Very low58.1Low86 Ų86104.6 Ų104.645%0.4552%0.518SS..  trans-51.3112.7152.6-72.9166.9000104.8I13 K17 Y21I13-L15 HydrophobicContact CG2-CG 4.39Å; I13-L15 PolarHBondContact O-N 3.15Å; L15-K17 PolarHBondContact O-N 3.1Å; L15-Y21 HydrophobicContact CD2-CD2 4.05Å; L15-Y21 HydrophobicContact CD2-CE2 4.13Å
16P47.1Very low59.3Low86 Ų86100.2 Ų100.256%0.55850%0.501SS*.  trans-54.514517025.1-31.1000106.4C14 T18C14-P16 WeakPolarHBondContact O-CD 3.33Å; P16-T18 HydrophobicContact CB-CG2 3.95Å; P16-T18 HydrophobicContact CG-CG2 4.07Å; P16-T18 PolarHBondContact O-N 3.04Å; P16-T18 PolarHBondContact O-OG1 3.16Å
17K49.6Very low60.1Low221 Ų221100.3 Ų100.396%0.96150%0.496SS*.SBendtrans-68.743.3171.2-66.4-179.2-179.7177.40110.4L15L15-K17 PolarHBondContact O-N 3.1Å
18T58Low61.2Low83 Ų83105.5 Ų105.551%0.50952%0.517SS..  trans-77.9138.717047.60000107.4P16 H20P16-T18 HydrophobicContact CB-CG2 3.95Å; P16-T18 HydrophobicContact CG-CG2 4.07Å; P16-T18 PolarHBondContact O-N 3.04Å; P16-T18 PolarHBondContact O-OG1 3.16Å; T18-H20 PolarHBondContact O-N 2.98Å; T18-H20 PolarHBondContact OG1-O 3.24Å
19T58.7Low62Low146 Ų146105.3 Ų105.390%0.89652%0.517SS*.SBendtrans-54.4-23.2171.644.90000112.3
20H61.4Low63.4Low66 Ų66102.7 Ų102.731%0.30651%0.506SS..SBendtrans-98118.2176.2-88.1-72.6000113.4T18 F22T18-H20 PolarHBondContact O-N 2.98Å; T18-H20 PolarHBondContact OG1-O 3.24Å; H20-F22 PolarHBondContact O-N 3.18Å
21Y69.9Low64.7Low147 Ų147104.7 Ų104.758%0.57651%0.51SS*.  trans-71.2116.5164.7174.3-99.8000110.1L15 P23L15-Y21 HydrophobicContact CD2-CD2 4.05Å; L15-Y21 HydrophobicContact CD2-CE2 4.13Å; Y21-P23 HydrophobicContact CE1-CB 3.89Å
22F68.1Low66.3Low100 Ų10098.2 Ų98.244%0.43949%0.49SS..  trans-92113.9169.4-120.5-96.3000109.3H20 R26 R27H20-F22 PolarHBondContact O-N 3.18Å; F22-R26 HydrophobicContact CD1-CB 3.75Å; F22-R26 HydrophobicContact CE1-CB 3.77Å; F22-R27 PolarHBondContact O-NE 2.94Å; F22-R27 VanDerWaalsContact O-NE 3.11Å; F22-R27 PolarHBondContact O-NH2 3.4Å
23P72.7Confident68.3Low18 Ų18101.5 Ų101.512%0.11749%0.494CS..  trans-64.4150.1-178.127.4-34.2000111Y21 W25 R26Y21-P23 HydrophobicContact CE1-CB 3.89Å; P23-W25 HydrophobicContact CB-CD2 3.66Å; P23-W25 VanDerWaalsContact CB-CE2 3.4Å; P23-W25 HydrophobicContact CB-CE3 3.74Å; P23-W25 HydrophobicContact CB-CG 4.49Å; P23-W25 HydrophobicContact CB-CH2 3.37Å; P23-W25 HydrophobicContact CB-CZ2 3.27Å; P23-W25 HydrophobicContact CB-CZ3 3.59Å; P23-W25 HydrophobicContact CG-CD2 4.22Å; P23-W25 HydrophobicContact CG-CH2 4.27Å; P23-W25 HydrophobicContact CG-CZ2 3.69Å; P23-W25 PolarHBondContact O-N 3.33Å; P23-R26 HydrophobicContact CG-CB 4.05Å; P23-R26 HydrophobicContact CG-CG 3.89Å; P23-R26 PolarHBondContact O-N 2.89Å
24L70.3Confident70Confident91 Ų9198.5 Ų98.548%0.47648%0.482SS..G310 helixtrans-52.5-42.2-175-76164.6000112.6R26 R27L24-R26 PolarHBondContact O-N 3.41Å; L24-R27 WeakPolarHBondContact O-CB 3.45Å; L24-R27 PolarHBondContact O-N 3.38Å; L24-R27 VanDerWaalsContact O-N 3.1Å
25W73.2Confident72.1Confident137 Ų13799 Ų9952%0.51947%0.472SS..G310 helixtrans-73.5-0.718065.584.9000115.1P23 H69P23-W25 HydrophobicContact CB-CD2 3.66Å; P23-W25 VanDerWaalsContact CB-CE2 3.4Å; P23-W25 HydrophobicContact CB-CE3 3.74Å; P23-W25 HydrophobicContact CB-CG 4.49Å; P23-W25 HydrophobicContact CB-CH2 3.37Å; P23-W25 HydrophobicContact CB-CZ2 3.27Å; P23-W25 HydrophobicContact CB-CZ3 3.59Å; P23-W25 HydrophobicContact CG-CD2 4.22Å; P23-W25 HydrophobicContact CG-CH2 4.27Å; P23-W25 HydrophobicContact CG-CZ2 3.69Å; P23-W25 PolarHBondContact O-N 3.33Å; W25-H69 PolarHBondContact O-NE2 2.69Å
26R76.8Confident74.2Confident77 Ų77101.4 Ų101.429%0.29149%0.493SS..G310 helixtrans-107.9-2.7169.4-72.2-168.4-176.1-168.31.8112.6F22 P23 L24F22-R26 HydrophobicContact CD1-CB 3.75Å; F22-R26 HydrophobicContact CE1-CB 3.77Å; P23-R26 HydrophobicContact CG-CB 4.05Å; P23-R26 HydrophobicContact CG-CG 3.89Å; P23-R26 PolarHBondContact O-N 2.89Å; L24-R26 PolarHBondContact O-N 3.41Å
27R78.2Confident76.4Confident50 Ų50101.3 Ų101.319%0.18951%0.508CS..SBendtrans-75.8147179.7-63.4-176.7-172.11643.9110F22 L24 V29 Q71F22-R27 PolarHBondContact O-NE 2.94Å; F22-R27 VanDerWaalsContact O-NE 3.11Å; F22-R27 PolarHBondContact O-NH2 3.4Å; L24-R27 WeakPolarHBondContact O-CB 3.45Å; L24-R27 PolarHBondContact O-N 3.38Å; L24-R27 VanDerWaalsContact O-N 3.1Å; R27-V29 PolarHBondContact O-N 3.4Å; R27-Q71 PolarHBondContact O-NE2 3.18Å; R27-Q71 PolarHBondContact O-OE1 3.32Å
28Q81Confident78.3Confident156 Ų15694.7 Ų94.773%0.72948%0.483SS*.PPolyproline II helixtrans-72.9125.2171-168.8171.8-19.900109.5E30Q28-E30 PolarHBondContact O-N 3.02Å
29V82.3Confident79.7Confident20 Ų2093.8 Ų93.812%0.12147%0.473CS..PPolyproline II helixtrans-78.7117170.8179.70000108.2I8 R27 Y31 P47 F48 Q71I8-V29 HydrophobicContact CG2-CG1 3.7Å; R27-V29 PolarHBondContact O-N 3.4Å; V29-Y31 HydrophobicContact CB-CE2 4.31Å; V29-Y31 HydrophobicContact CG1-CD2 4.19Å; V29-Y31 HydrophobicContact CG1-CE2 3.68Å; V29-P47 HydrophobicContact CG1-CG 4.37Å; V29-P47 HydrophobicContact CG2-CB 4.35Å; V29-P47 HydrophobicContact CG2-CG 3.48Å; V29-P47 VanDerWaalsContact CG2-CG 3.48Å; V29-F48 HydrophobicContact CG2-CE1 3.87Å; V29-F48 HydrophobicContact CG2-CZ 4.26Å; V29-Q71 VanDerWaalsContact CG2-OE1 3.31Å
30E81.8Confident81Confident79 Ų7992.4 Ų92.437%0.36947%0.466SS..PPolyproline II helixtrans-93.9122.7175.1-69.9-179.4161.500109.1R11 Q28R11-E30 IonicContact CZ-OE1 3.37Å; R11-E30 IonicContact CZ-OE2 3.62Å; R11-E30 IonicContact NE-OE1 3.33Å; R11-E30 PolarHBondContact NE-OE1 3.4Å; R11-E30 IonicContact NE-OE2 2.86Å; R11-E30 PolarHBondContact NE-OE2 3.06Å; R11-E30 IonicContact NH2-OE1 2.73Å; R11-E30 PolarHBondContact NH2-OE1 3.04Å; R11-E30 IonicContact NH2-OE2 3.48Å; R11-E30 PolarHBondContact NH2-OE2 2.81Å; Q28-E30 PolarHBondContact O-N 3.02Å
31Y83.9Confident82.1Confident115 Ų11591 Ų9145%0.45146%0.462SS..PPolyproline II helixtrans-92.8141.6173-70.3-96.7000109.4I8 V29 F48I8-Y31 HydrophobicContact CD1-CD1 3.81Å; I8-Y31 HydrophobicContact CD1-CE1 3.41Å; I8-Y31 VanDerWaalsContact CD1-CE1 3.41Å; I8-Y31 HydrophobicContact CG1-CD1 3.64Å; I8-Y31 HydrophobicContact CG1-CE1 3.74Å; V29-Y31 HydrophobicContact CB-CE2 4.31Å; V29-Y31 HydrophobicContact CG1-CD2 4.19Å; V29-Y31 HydrophobicContact CG1-CE2 3.68Å; Y31-F48 WeakPolarHBondContact OH-CZ 3.28Å
32P85.7Confident82.8Confident33 Ų3385.8 Ų85.821%0.21445%0.447CS..PPolyproline II helixtrans-63.1149.4172.529.3-35.2000110.1P6 V34 V41P6-P32 HydrophobicContact CB-CB 3.65Å; P6-P32 HydrophobicContact CB-CG 3.8Å; P6-P32 HydrophobicContact CG-CB 4.31Å; P6-P32 HydrophobicContact CG-CG 4.29Å; P32-V34 PolarHBondContact O-N 3.2Å; P32-V41 HydrophobicContact CG-CB 4.38Å; P32-V41 HydrophobicContact CG-CG1 3.64Å; P32-V41 HydrophobicContact CG-CG2 3.76Å
33K86.9Confident83.7Confident170 Ų17083.8 Ų83.874%0.73944%0.444SS*.PPolyproline II helixtrans-68.7128.3175.9-169.2173.7-178.4179.80109.3F35K33-F35 HydrophobicContact CD-CZ 4.13Å; K33-F35 HydrophobicContact CG-CZ 4.45Å
34V87.2Confident84.3Confident80 Ų8089.9 Ų89.949%0.48547%0.469SS..  trans-110.1132.6-179.1-171.80000109.1P32 D38 V41P32-V34 PolarHBondContact O-N 3.2Å; V34-D38 HydrophobicContact CG1-CB 3.82Å; V34-V41 HydrophobicContact CG2-CG2 3.42Å; V34-V41 VanDerWaalsContact CG2-CG2 3.42Å
35F91.9Very high85.1Confident118 Ų11892.8 Ų92.852%0.51848%0.484SS..  trans-102.9156.6172.4-62.3-81.3000111.2K33 G37 D38K33-F35 HydrophobicContact CD-CZ 4.13Å; K33-F35 HydrophobicContact CG-CZ 4.45Å; F35-G37 PolarHBondContact O-N 2.82Å; F35-D38 WeakPolarHBondContact CB-OD2 3.49Å; F35-D38 PolarHBondContact N-OD2 3.1Å; F35-D38 VanDerWaalsContact O-CB 3.3Å; F35-D38 WeakPolarHBondContact O-CB 3.27Å; F35-D38 PolarHBondContact O-N 3.4Å
36P93.9Very high85.7Confident136 Ų13688.5 Ų88.588%0.88347%0.474SS*.THydrogen-bonded Turntrans-56.6127.6173.7-23.834.2000111.5
37G93.6Very high86.1Confident85 Ų8586.6 Ų86.688%0.87647%0.472SS*.THydrogen-bonded Turntrans96.4-15.1-175.900000114.3F35F35-G37 PolarHBondContact O-N 2.82Å
38D89.4Confident86.7Confident81 Ų8184.9 Ų84.943%0.43347%0.466SS..PPolyproline II helixtrans-65.9143.1169.8-71.2-25.9000110.5V34 F35V34-D38 HydrophobicContact CG1-CB 3.82Å; F35-D38 WeakPolarHBondContact CB-OD2 3.49Å; F35-D38 PolarHBondContact N-OD2 3.1Å; F35-D38 VanDerWaalsContact O-CB 3.3Å; F35-D38 WeakPolarHBondContact O-CB 3.27Å; F35-D38 PolarHBondContact O-N 3.4Å
39H87Confident87.2Confident64 Ų6481.9 Ų81.930%0.29645%0.448SS..PPolyproline II helixtrans-56.8148.2168.764.8-55.6000112R5 V41R5-H39 VanDerWaalsContact CB-NE2 3.27Å; R5-H39 WeakPolarHBondContact CB-NE2 3.49Å; R5-H39 WeakPolarHBondContact CD-NE2 3.41Å; R5-H39 VanDerWaalsContact CG-NE2 3.27Å; R5-H39 WeakPolarHBondContact CG-NE2 3.36Å; H39-V41 PolarHBondContact O-N 3.02Å
40P85Confident87.8Confident118 Ų11882.7 Ų82.777%0.76645%0.45SS*.PPolyproline II helixtrans-57.3136.8173.2-23.433.2000111.5P42P40-P42 VanDerWaalsContact O-CD 3.26Å; P40-P42 WeakPolarHBondContact O-CD 3.24Å
41V84.8Confident88.4Confident35 Ų3585.7 Ų85.721%0.21246%0.462CS..PPolyproline II helixtrans-69116.1179.3-177.80000109.5I8 P32 V34 H39I8-V41 HydrophobicContact CD1-CG1 4.22Å; I8-V41 HydrophobicContact CG1-CG1 3.7Å; P32-V41 HydrophobicContact CG-CB 4.38Å; P32-V41 HydrophobicContact CG-CG1 3.64Å; P32-V41 HydrophobicContact CG-CG2 3.76Å; V34-V41 HydrophobicContact CG2-CG2 3.42Å; V34-V41 VanDerWaalsContact CG2-CG2 3.42Å; H39-V41 PolarHBondContact O-N 3.02Å
42P86.1Confident89Confident39 Ų3983.9 Ų83.925%0.25346%0.459SS..PPolyproline II helixtrans-75.6136177.530.2-32000111.1P40 F44P40-P42 VanDerWaalsContact O-CD 3.26Å; P40-P42 WeakPolarHBondContact O-CD 3.24Å; P42-F44 HydrophobicContact CB-CE1 4.49Å; P42-F44 HydrophobicContact CB-CE2 4.02Å; P42-F44 HydrophobicContact CB-CZ 3.96Å; P42-F44 HydrophobicContact CG-CE2 3.92Å; P42-F44 HydrophobicContact CG-CZ 4.08Å
43C85.6Confident89.4Confident57 Ų5784.7 Ų84.739%0.38546%0.461SS..  trans-106.4107.7166.2-164.10000108.5I8I8-C43 HydrophobicContact CD1-CB 3.41Å; I8-C43 VanDerWaalsContact CD1-CB 3.41Å
44F85.2Confident89.7Confident146 Ų14683.8 Ų83.864%0.6445%0.453SS*.SBendtrans-83.8-45.1178.3-63.3-74.1000111.9V7 P42V7-F44 HydrophobicContact CG1-CD2 4.08Å; V7-F44 HydrophobicContact CG1-CE2 4.46Å; V7-F44 HydrophobicContact CG2-CE2 4.19Å; P42-F44 HydrophobicContact CB-CE1 4.49Å; P42-F44 HydrophobicContact CB-CE2 4.02Å; P42-F44 HydrophobicContact CB-CZ 3.96Å; P42-F44 HydrophobicContact CG-CE2 3.92Å; P42-F44 HydrophobicContact CG-CZ 4.08Å
45L86.7Confident89.9Confident152 Ų15281.5 Ų81.580%0.79644%0.441SS*.SBendtrans-121.195.8178-7785.3000108.9
46P87.1Confident89.9Confident48 Ų4877 Ų7731%0.31243%0.428SS..  trans-65.5127.3178.524.4-31000110.3F48 Y80 I84P46-F48 HydrophobicContact CB-CD2 4.38Å; P46-F48 PolarHBondContact O-N 3.04Å; P46-F48 VanDerWaalsContact O-N 3.11Å; P46-Y80 HydrophobicContact CB-CD2 4.44Å; P46-Y80 HydrophobicContact CB-CE2 4.2Å; P46-Y80 HydrophobicContact CG-CD2 4.22Å; P46-Y80 HydrophobicContact CG-CE2 3.82Å; P46-I84 HydrophobicContact CG-CD1 4.06Å
47P84.9Confident89.6Confident36 Ų3676.2 Ų76.223%0.23442%0.422CS..  trans-76.79.2178.532.5-36.4000113.2I10 V29I10-P47 HydrophobicContact CD1-CB 4.08Å; I10-P47 HydrophobicContact CG1-CB 4.48Å; V29-P47 HydrophobicContact CG1-CG 4.37Å; V29-P47 HydrophobicContact CG2-CB 4.35Å; V29-P47 HydrophobicContact CG2-CG 3.48Å; V29-P47 VanDerWaalsContact CG2-CG 3.48Å
48F89.9Confident89.4Confident15 Ų1582 Ų827%0.06642%0.423CS..  trans-94.8142.2-173.2-54-50.2000111.6V29 Y31 P46 H69 Q71 M72 Y80V29-F48 HydrophobicContact CG2-CE1 3.87Å; V29-F48 HydrophobicContact CG2-CZ 4.26Å; Y31-F48 WeakPolarHBondContact OH-CZ 3.28Å; P46-F48 HydrophobicContact CB-CD2 4.38Å; P46-F48 PolarHBondContact O-N 3.04Å; P46-F48 VanDerWaalsContact O-N 3.11Å; F48-H69 HydrophobicContact CB-CB 4.07Å; F48-H69 HydrophobicContact CD1-CB 3.97Å; F48-H69 AromaticContact CD1-CG 3.73Å; F48-H69 AromaticContact CD1-ND1 3.67Å; F48-H69 AromaticContact CE1-ND1 4Å; F48-H69 HydrophobicContact CG-CB 4.39Å; F48-Q71 HydrophobicContact CE1-CB 4.03Å; F48-M72 HydrophobicContact CB-CG 3.66Å; F48-M72 HydrophobicContact CB-SD 3.58Å; F48-M72 VanDerWaalsContact CB-SD 3.58Å; F48-M72 HydrophobicContact CD1-CG 3.87Å; F48-M72 HydrophobicContact CD2-CG 3.53Å; F48-M72 HydrophobicContact CD2-SD 4.29Å; F48-M72 HydrophobicContact CE1-CG 4.39Å; F48-M72 HydrophobicContact CE2-CG 4.09Å; F48-M72 HydrophobicContact CG-CG 3.4Å; F48-M72 HydrophobicContact CG-SD 4.03Å; F48-M72 HydrophobicContact CZ-CG 4.49Å; F48-Y80 PolarHBondContact O-OH 2.62Å
49W92Very high89.4Confident92 Ų9280.5 Ų80.535%0.34842%0.415SS..  trans-107.7152.5169.457.5-96.9000110.1K67 H69W49-K67 HydrophobicContact CH2-CD 4.24Å; W49-K67 HydrophobicContact CH2-CG 4.05Å; W49-K67 HydrophobicContact CZ3-CB 4.48Å; W49-K67 HydrophobicContact CZ3-CD 4.16Å; W49-K67 HydrophobicContact CZ3-CG 3.86Å; W49-H69 AromaticContact CD1-CD2 3.6Å; W49-H69 AromaticContact NE1-CD2 3.33Å; W49-H69 PolarHBondContact NE1-CD2 3.3Å; W49-H69 VanDerWaalsContact NE1-CD2 3.33Å; W49-H69 PolarHBondContact O-N 3.24Å; W49-H69 VanDerWaalsContact O-N 3.09Å
50M94.6Very high89.7Confident37 Ų3780.5 Ų80.518%0.18242%0.421CS..EExtended strand (participates in β ladder)trans-142139.5173.8-177.4167.276.400109F66 K67 V68 V77 Y80 L81M50-F66 HydrophobicContact CE-CD1 3.78Å; M50-F66 HydrophobicContact CE-CE1 3.85Å; M50-F66 HydrophobicContact CE-CG 4.12Å; M50-F66 HydrophobicContact CE-CZ 4.23Å; M50-F66 HydrophobicContact CG-CB 3.7Å; M50-F66 HydrophobicContact CG-CD1 3.72Å; M50-F66 HydrophobicContact CG-CG 3.92Å; M50-F66 HydrophobicContact SD-CB 3.73Å; M50-F66 HydrophobicContact SD-CD1 3.79Å; M50-F66 HydrophobicContact SD-CD2 4.18Å; M50-F66 HydrophobicContact SD-CE1 4.44Å; M50-F66 HydrophobicContact SD-CG 3.64Å; M50-K67 CarbonylContact C-O 3.54Å; M50-K67 WeakPolarHBondContact CA-O 3.49Å; M50-V68 HydrophobicContact CB-CG1 4.38Å; M50-V68 HydrophobicContact CG-CG1 3.7Å; M50-V68 HydrophobicContact SD-CG1 3.65Å; M50-V77 HydrophobicContact SD-CG1 4.27Å; M50-Y80 HydrophobicContact CB-CE1 4.43Å; M50-Y80 HydrophobicContact CE-CD1 4.01Å; M50-Y80 HydrophobicContact CE-CE1 4.3Å; M50-L81 HydrophobicContact CE-CD1 4.41Å; M50-L81 HydrophobicContact CE-CD2 3.4Å; M50-L81 HydrophobicContact CE-CG 3.85Å
51K95.1Very high90.1Very high142 Ų14278.3 Ų78.362%0.61741%0.407SS*.EExtended strand (participates in β ladder)trans-126.4131.9178.2-178.2178.5177.7-179.50109.4F66 K67K51-F66 CarbonylContact O-C 3.56Å; K51-F66 VanDerWaalsContact O-CA 3.29Å; K51-F66 WeakPolarHBondContact O-CA 3.43Å; K51-K67 HydrophobicContact CB-CB 4.44Å; K51-K67 PolarHBondContact N-O 2.99Å; K51-K67 PolarHBondContact O-N 2.75Å
52M95.6Very high90.5Very high77 Ų7778.4 Ų78.438%0.37941%0.406SS..EExtended strand (participates in β ladder)trans-70.2135.9173-168.5-180-78.700110.2V64 F66 F142 F144M52-V64 HydrophobicContact CE-CG1 4.19Å; M52-V64 HydrophobicContact CG-CG1 4.28Å; M52-F66 HydrophobicContact CB-CD1 4.03Å; M52-F66 HydrophobicContact CB-CE1 3.9Å; M52-F66 HydrophobicContact CE-CE1 3.84Å; M52-F66 HydrophobicContact CE-CZ 4.03Å; M52-F66 HydrophobicContact CG-CD1 4.38Å; M52-F66 HydrophobicContact CG-CE1 4.04Å; M52-F142 HydrophobicContact CE-CE2 4.07Å; M52-F142 HydrophobicContact CE-CZ 3.91Å; M52-F142 HydrophobicContact SD-CE1 4.23Å; M52-F142 HydrophobicContact SD-CE2 4.1Å; M52-F142 HydrophobicContact SD-CZ 3.41Å; M52-F142 WeakPolarHBondContact SD-CZ 3.21Å; M52-F144 HydrophobicContact CG-CD2 4.4Å; M52-F144 HydrophobicContact CG-CE2 4.08Å; M52-F144 HydrophobicContact SD-CD2 4.21Å; M52-F144 HydrophobicContact SD-CE2 4.13Å
53M95Very high90.9Very high51 Ų5178.8 Ų78.825%0.25140%0.404SS..EExtended strand (participates in β ladder)trans-113.8156.2176.4-65.3-160.7-61.300110.7P55 V65 K67 V131M53-P55 WeakPolarHBondContact O-CD 3.41Å; M53-V65 HydrophobicContact CB-CB 4.5Å; M53-V65 HydrophobicContact CB-CG1 4.32Å; M53-V65 HydrophobicContact CE-CG1 3.59Å; M53-V65 PolarHBondContact N-O 2.84Å; M53-K67 HydrophobicContact CE-CB 4.29Å; M53-K67 HydrophobicContact CG-CB 4.01Å; M53-K67 HydrophobicContact SD-CB 3.79Å; M53-V131 HydrophobicContact CE-CB 4.26Å; M53-V131 HydrophobicContact CE-CG1 3.6Å; M53-V131 HydrophobicContact CE-CG2 3.78Å
54Y94.2Very high91.4Very high150 Ų15076.3 Ų76.359%0.58839%0.388SS*.  trans-64.9123.6170.2179.9-111.2000109.5G56 F144Y54-G56 VanDerWaalsContact CE1-CA 3.46Å; Y54-G56 PolarHBondContact O-N 2.91Å; Y54-F144 HydrophobicContact CD2-CB 4.03Å; Y54-F144 AromaticContact CD2-CD1 3.75Å; Y54-F144 HydrophobicContact CD2-CD1 3.75Å; Y54-F144 HydrophobicContact CD2-CE1 4.39Å; Y54-F144 AromaticContact CD2-CG 3.89Å; Y54-F144 HydrophobicContact CD2-CG 3.89Å; Y54-F144 HydrophobicContact CE2-CB 4.4Å
55P91.3Very high92Very high33 Ų3369.8 Ų69.821%0.21436%0.359CS..  trans-73.3-9.5-173.225.8-33.2000114.9M53 N59 V65 F144M53-P55 WeakPolarHBondContact O-CD 3.41Å; P55-N59 HydrophobicContact CB-CB 3.91Å; P55-N59 VanDerWaalsContact CB-ND2 3.32Å; P55-N59 WeakPolarHBondContact CB-ND2 3.32Å; P55-N59 WeakPolarHBondContact O-CB 3.35Å; P55-V65 HydrophobicContact CB-CG2 3.9Å; P55-F144 HydrophobicContact CG-CB 4.46Å
56G90.3Very high92.5Very high24 Ų2463.3 Ų63.325%0.24733%0.325CS..  trans84.6161.6-172.200000112.9Y54 K58Y54-G56 VanDerWaalsContact CE1-CA 3.46Å; Y54-G56 PolarHBondContact O-N 2.91Å; G56-K58 PolarHBondContact O-N 2.84Å
57P88.3Confident92.9Very high118 Ų11863.5 Ų63.577%0.76632%0.321SS*.THydrogen-bonded Turntrans-73.3-22.7-170.827.7-35.3000114.4
58K89.3Confident93.5Very high208 Ų20861.8 Ų61.890%0.90431%0.31SS*.THydrogen-bonded Turntrans-99.210.3-175.3-63.5-176-179.7-179.10113.4G56G56-K58 PolarHBondContact O-N 2.84Å
59N90Very high93.7Very high49 Ų4961.2 Ų61.226%0.26231%0.307SS..SBendtrans-82143.2-177.2-146.328.7000110.6P55 H63P55-N59 HydrophobicContact CB-CB 3.91Å; P55-N59 VanDerWaalsContact CB-ND2 3.32Å; P55-N59 WeakPolarHBondContact CB-ND2 3.32Å; P55-N59 WeakPolarHBondContact O-CB 3.35Å; N59-H63 WeakPolarHBondContact ND2-CB 3.26Å; N59-H63 PolarHBondContact ND2-O 2.8Å
60P92.9Very high93.7Very high64 Ų6458.1 Ų58.142%0.41630%0.299SS..  trans-63.5150.7175.9-16.929.1000111.4N62 H63P60-N62 PolarHBondContact O-N 3.39Å; P60-H63 PolarHBondContact O-N 2.75Å
61P92.3Very high93.6Very high72 Ų7259.6 Ų59.647%0.46831%0.306SS..THydrogen-bonded Turntrans-60.4-24.1-17519.8-30.8000114.2H63 V141 F142P61-H63 VanDerWaalsContact C-N 3.33Å; P61-V141 HydrophobicContact CB-CB 4.47Å; P61-V141 HydrophobicContact CB-CG1 3.77Å; P61-V141 HydrophobicContact CB-CG2 4.28Å; P61-F142 PolarHBondContact O-N 3.16Å
62N93.9Very high93.5Very high37 Ų3752.9 Ų52.920%0.19828%0.276CS..THydrogen-bonded Turntrans-95.19.8-176.7-52.216.9000112.2P60 L136 E140P60-N62 PolarHBondContact O-N 3.39Å; N62-L136 PolarHBondContact O-N 3.49Å; N62-E140 VanDerWaalsContact CG-O 3.25Å; N62-E140 PolarHBondContact OD1-O 2.96Å
63H95.2Very high93.5Very high47 Ų4752.5 Ų52.522%0.21828%0.278CS..EExtended strand (participates in β ladder)trans-109.9125.2-177.6-72.362.4000111.2N59 P60 P61 V134N59-H63 WeakPolarHBondContact ND2-CB 3.26Å; N59-H63 PolarHBondContact ND2-O 2.8Å; P60-H63 PolarHBondContact O-N 2.75Å; P61-H63 VanDerWaalsContact C-N 3.33Å; H63-V134 WeakPolarHBondContact CA-O 3.31Å
64V96Very high93.6Very high5 Ų554.2 Ų54.23%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-112.5140.4175.6-168.50000108.9M52 F66 V134 L136 F142M52-V64 HydrophobicContact CE-CG1 4.19Å; M52-V64 HydrophobicContact CG-CG1 4.28Å; V64-F66 HydrophobicContact CB-CE2 3.8Å; V64-F66 HydrophobicContact CB-CZ 4.27Å; V64-F66 HydrophobicContact CG1-CD2 4.12Å; V64-F66 HydrophobicContact CG1-CE1 4.2Å; V64-F66 HydrophobicContact CG1-CE2 3.41Å; V64-F66 VanDerWaalsContact CG1-CE2 3.41Å; V64-F66 HydrophobicContact CG1-CZ 3.46Å; V64-F66 VanDerWaalsContact CG1-CZ 3.46Å; V64-V134 PolarHBondContact N-O 2.93Å; V64-V134 PolarHBondContact O-N 3.38Å; V64-L136 HydrophobicContact CG2-CD1 3.79Å; V64-L136 HydrophobicContact CG2-CD2 4.35Å; V64-L136 HydrophobicContact CG2-CG 4.06Å; V64-F142 HydrophobicContact CB-CD1 4.39Å; V64-F142 HydrophobicContact CG1-CD1 4.22Å; V64-F142 HydrophobicContact CG1-CE1 4.05Å; V64-F142 HydrophobicContact CG1-CZ 4.47Å; V64-F142 HydrophobicContact CG2-CB 3.89Å; V64-F142 HydrophobicContact CG2-CD1 3.64Å; V64-F142 HydrophobicContact CG2-CD2 4.35Å; V64-F142 HydrophobicContact CG2-CE1 4.3Å; V64-F142 HydrophobicContact CG2-CG 3.67Å
65V96.7Very high93.7Very high8 Ų854.9 Ų54.95%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-112.1131.8179.6-173.30000109.2M53 P55 V131 A132 Y133M53-V65 HydrophobicContact CB-CB 4.5Å; M53-V65 HydrophobicContact CB-CG1 4.32Å; M53-V65 HydrophobicContact CE-CG1 3.59Å; M53-V65 PolarHBondContact N-O 2.84Å; P55-V65 HydrophobicContact CB-CG2 3.9Å; V65-V131 HydrophobicContact CG1-CG1 3.53Å; V65-A132 WeakPolarHBondContact CA-O 3.36Å; V65-Y133 HydrophobicContact CG1-CD1 4.44Å; V65-Y133 HydrophobicContact CG1-CE1 4.26Å; V65-Y133 HydrophobicContact CG2-CD1 3.75Å; V65-Y133 HydrophobicContact CG2-CE1 3.91Å
66F97.8Very high93.9Very high16 Ų1655.1 Ų55.17%0.0729%0.286CS..EExtended strand (participates in β ladder)trans-125.7143177.4-64-83.5000111.1M50 K51 M52 V64 V68 L81 V131 A132 V134M50-F66 HydrophobicContact CE-CD1 3.78Å; M50-F66 HydrophobicContact CE-CE1 3.85Å; M50-F66 HydrophobicContact CE-CG 4.12Å; M50-F66 HydrophobicContact CE-CZ 4.23Å; M50-F66 HydrophobicContact CG-CB 3.7Å; M50-F66 HydrophobicContact CG-CD1 3.72Å; M50-F66 HydrophobicContact CG-CG 3.92Å; M50-F66 HydrophobicContact SD-CB 3.73Å; M50-F66 HydrophobicContact SD-CD1 3.79Å; M50-F66 HydrophobicContact SD-CD2 4.18Å; M50-F66 HydrophobicContact SD-CE1 4.44Å; M50-F66 HydrophobicContact SD-CG 3.64Å; K51-F66 CarbonylContact O-C 3.56Å; K51-F66 VanDerWaalsContact O-CA 3.29Å; K51-F66 WeakPolarHBondContact O-CA 3.43Å; M52-F66 HydrophobicContact CB-CD1 4.03Å; M52-F66 HydrophobicContact CB-CE1 3.9Å; M52-F66 HydrophobicContact CE-CE1 3.84Å; M52-F66 HydrophobicContact CE-CZ 4.03Å; M52-F66 HydrophobicContact CG-CD1 4.38Å; M52-F66 HydrophobicContact CG-CE1 4.04Å; V64-F66 HydrophobicContact CB-CE2 3.8Å; V64-F66 HydrophobicContact CB-CZ 4.27Å; V64-F66 HydrophobicContact CG1-CD2 4.12Å; V64-F66 HydrophobicContact CG1-CE1 4.2Å; V64-F66 HydrophobicContact CG1-CE2 3.41Å; V64-F66 VanDerWaalsContact CG1-CE2 3.41Å; V64-F66 HydrophobicContact CG1-CZ 3.46Å; V64-F66 VanDerWaalsContact CG1-CZ 3.46Å; F66-V68 HydrophobicContact CB-CG1 4.09Å; F66-L81 HydrophobicContact CE2-CD1 4.02Å; F66-L81 HydrophobicContact CE2-CD2 4.37Å; F66-L81 HydrophobicContact CZ-CD2 4.07Å; F66-V131 CarbonylContact O-C 3.6Å; F66-V131 WeakPolarHBondContact O-CA 3.48Å; F66-A132 HydrophobicContact CB-CB 4.44Å; F66-A132 PolarHBondContact N-O 3.49Å; F66-A132 PolarHBondContact O-N 3.09Å; F66-V134 HydrophobicContact CD2-CB 4.28Å; F66-V134 HydrophobicContact CD2-CG2 3.61Å; F66-V134 HydrophobicContact CE2-CB 4.12Å; F66-V134 HydrophobicContact CE2-CG2 3.82Å
67K96.6Very high94.2Very high52 Ų5254 Ų5423%0.22627%0.274CS..EExtended strand (participates in β ladder)trans-86.5123158.7-173.2178.8176.6159.40107.5W49 M50 K51 M53 E129 K130W49-K67 HydrophobicContact CH2-CD 4.24Å; W49-K67 HydrophobicContact CH2-CG 4.05Å; W49-K67 HydrophobicContact CZ3-CB 4.48Å; W49-K67 HydrophobicContact CZ3-CD 4.16Å; W49-K67 HydrophobicContact CZ3-CG 3.86Å; M50-K67 CarbonylContact C-O 3.54Å; M50-K67 WeakPolarHBondContact CA-O 3.49Å; K51-K67 HydrophobicContact CB-CB 4.44Å; K51-K67 PolarHBondContact N-O 2.99Å; K51-K67 PolarHBondContact O-N 2.75Å; M53-K67 HydrophobicContact CE-CB 4.29Å; M53-K67 HydrophobicContact CG-CB 4.01Å; M53-K67 HydrophobicContact SD-CB 3.79Å; K67-E129 VanDerWaalsContact CD-OE2 3.28Å; K67-E129 WeakPolarHBondContact CD-OE2 3.43Å; K67-E129 WeakPolarHBondContact CE-OE2 3.29Å; K67-E129 IonicContact NZ-OE1 2.72Å; K67-E129 PolarHBondContact NZ-OE1 3.1Å; K67-E129 IonicContact NZ-OE2 3.67Å; K67-E129 PolarHBondContact NZ-OE2 2.81Å; K67-K130 WeakPolarHBondContact CA-O 3.38Å
68V96.4Very high94.6Very high1 Ų150.1 Ų50.11%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-118.8158.1-175.1-65.40000110.9M50 F66 M72 V77 V94 K130 A132M50-V68 HydrophobicContact CB-CG1 4.38Å; M50-V68 HydrophobicContact CG-CG1 3.7Å; M50-V68 HydrophobicContact SD-CG1 3.65Å; F66-V68 HydrophobicContact CB-CG1 4.09Å; V68-M72 HydrophobicContact CB-SD 4.25Å; V68-V77 HydrophobicContact CB-CG2 4.47Å; V68-V77 HydrophobicContact CG1-CG2 3.95Å; V68-V94 HydrophobicContact CG2-CG1 4.33Å; V68-K130 HydrophobicContact CG2-CB 3.79Å; V68-K130 HydrophobicContact CG2-CD 4.06Å; V68-K130 HydrophobicContact CG2-CG 3.63Å; V68-K130 WeakPolarHBondContact CG2-O 3.47Å; V68-K130 PolarHBondContact N-O 3.45Å; V68-A132 HydrophobicContact CG1-CB 3.83Å; V68-A132 HydrophobicContact CG2-CB 4.22Å
69H94.2Very high94.9Very high3 Ų344 Ų441%0.01422%0.22CC..  trans-55.3136.6170.8-167.7-81.9000110.9W25 F48 W49 Q71 M72W25-H69 PolarHBondContact O-NE2 2.69Å; F48-H69 HydrophobicContact CB-CB 4.07Å; F48-H69 HydrophobicContact CD1-CB 3.97Å; F48-H69 AromaticContact CD1-CG 3.73Å; F48-H69 AromaticContact CD1-ND1 3.67Å; F48-H69 AromaticContact CE1-ND1 4Å; F48-H69 HydrophobicContact CG-CB 4.39Å; W49-H69 AromaticContact CD1-CD2 3.6Å; W49-H69 AromaticContact NE1-CD2 3.33Å; W49-H69 PolarHBondContact NE1-CD2 3.3Å; W49-H69 VanDerWaalsContact NE1-CD2 3.33Å; W49-H69 PolarHBondContact O-N 3.24Å; W49-H69 VanDerWaalsContact O-N 3.09Å; H69-Q71 PolarHBondContact ND1-N 3.21Å; H69-Q71 PolarHBondContact O-N 3.14Å; H69-Q71 VanDerWaalsContact O-N 3.13Å; H69-M72 HydrophobicContact CB-CG 4.15Å; H69-M72 HydrophobicContact CB-SD 4.39Å; H69-M72 WeakPolarHBondContact O-CB 3.44Å; H69-M72 PolarHBondContact O-N 2.73Å
70P92.3Very high95.2Very high27 Ų2743.4 Ų43.418%0.17521%0.214CC..THydrogen-bonded Turntrans-61.5-28.3-173.121.5-33.3000114.3M96 Y128 K130P70-M96 HydrophobicContact CB-CE 4.16Å; P70-Y128 HydrophobicContact CB-CD2 4.43Å; P70-Y128 HydrophobicContact CB-CE2 3.7Å; P70-Y128 HydrophobicContact CG-CE2 4.18Å; P70-K130 WeakPolarHBondContact O-CD 3.17Å; P70-K130 PolarHBondContact O-NZ 3.4Å
71Q92Very high95.4Very high68 Ų6840.7 Ų40.732%0.31820%0.196SC..THydrogen-bonded Turntrans-79-15.8177.4-64.1169.33.500114.2R27 V29 F48 H69 T73R27-Q71 PolarHBondContact O-NE2 3.18Å; R27-Q71 PolarHBondContact O-OE1 3.32Å; V29-Q71 VanDerWaalsContact CG2-OE1 3.31Å; F48-Q71 HydrophobicContact CE1-CB 4.03Å; H69-Q71 PolarHBondContact ND1-N 3.21Å; H69-Q71 PolarHBondContact O-N 3.14Å; H69-Q71 VanDerWaalsContact O-N 3.13Å; Q71-T73 PolarHBondContact O-N 2.8Å
72M93.9Very high95.6Very high0 Ų040.6 Ų40.60%019%0.189CC..  trans-66.9133-179.1-83.9-177.985.300111.7F48 V68 H69 D76 V77 Y80 K130F48-M72 HydrophobicContact CB-CG 3.66Å; F48-M72 HydrophobicContact CB-SD 3.58Å; F48-M72 VanDerWaalsContact CB-SD 3.58Å; F48-M72 HydrophobicContact CD1-CG 3.87Å; F48-M72 HydrophobicContact CD2-CG 3.53Å; F48-M72 HydrophobicContact CD2-SD 4.29Å; F48-M72 HydrophobicContact CE1-CG 4.39Å; F48-M72 HydrophobicContact CE2-CG 4.09Å; F48-M72 HydrophobicContact CG-CG 3.4Å; F48-M72 HydrophobicContact CG-SD 4.03Å; F48-M72 HydrophobicContact CZ-CG 4.49Å; V68-M72 HydrophobicContact CB-SD 4.25Å; H69-M72 HydrophobicContact CB-CG 4.15Å; H69-M72 HydrophobicContact CB-SD 4.39Å; H69-M72 WeakPolarHBondContact O-CB 3.44Å; H69-M72 PolarHBondContact O-N 2.73Å; M72-D76 HydrophobicContact CB-CB 4.41Å; M72-D76 HydrophobicContact CE-CB 3.99Å; M72-D76 HydrophobicContact CG-CB 4.37Å; M72-V77 HydrophobicContact CB-CG2 4.25Å; M72-V77 HydrophobicContact CE-CB 4.15Å; M72-V77 HydrophobicContact CE-CG2 3.62Å; M72-V77 HydrophobicContact SD-CG2 4.32Å; M72-Y80 HydrophobicContact CE-CD2 4.35Å; M72-Y80 HydrophobicContact CE-CG 4.24Å; M72-K130 WeakPolarHBondContact O-CE 3.47Å; M72-K130 PolarHBondContact O-NZ 2.74Å
73T94.9Very high95.7Very high69 Ų6945.8 Ų45.842%0.42321%0.21SC..  trans-85.9168.7171.971.90000111.7Q71 R75 D76 V77Q71-T73 PolarHBondContact O-N 2.8Å; T73-R75 PolarHBondContact O-N 3.48Å; T73-D76 WeakPolarHBondContact CB-OD2 3.36Å; T73-D76 WeakPolarHBondContact CG2-OD2 3.46Å; T73-D76 PolarHBondContact N-OD2 3.36Å; T73-D76 PolarHBondContact O-N 3.3Å; T73-D76 PolarHBondContact OG1-N 3.36Å; T73-D76 PolarHBondContact OG1-OD1 3.31Å; T73-D76 PolarHBondContact OG1-OD2 3.35Å; T73-V77 WeakPolarHBondContact O-CG2 2.98Å; T73-V77 PolarHBondContact O-N 3.24Å; T73-V77 VanDerWaalsContact O-N 3.1Å
74K97.3Very high95.7Very high88 Ų8847.5 Ų47.538%0.38322%0.22SC..Hα-helixtrans-52.9-42.9173.6174.4-178.1169.1152.60112.3V77 Q78 D91 V92 V94K74-V77 PolarHBondContact O-N 2.99Å; K74-Q78 PolarHBondContact O-N 3.37Å; K74-D91 WeakPolarHBondContact CE-OD1 3.49Å; K74-D91 IonicContact NZ-OD1 3.95Å; K74-D91 PolarHBondContact NZ-OD1 2.82Å; K74-V92 WeakPolarHBondContact CD-O 3.41Å; K74-V92 WeakPolarHBondContact CE-O 3.22Å; K74-V92 HydrophobicContact CG-CB 3.92Å; K74-V92 HydrophobicContact CG-CG1 4.3Å; K74-V92 VanDerWaalsContact CG-O 3.3Å; K74-V92 WeakPolarHBondContact CG-O 3.28Å; K74-V92 PolarHBondContact NZ-O 2.81Å; K74-V94 HydrophobicContact CB-CG2 4.23Å
75R95.9Very high95.7Very high163 Ų16353.8 Ų53.862%0.61524%0.244SC*.Hα-helixtrans-71.6-34.3-178.2-61.1-64-70.6-142-1.9111.3T73 Q78 Q79T73-R75 PolarHBondContact O-N 3.48Å; R75-Q78 PolarHBondContact O-N 3.06Å; R75-Q79 WeakPolarHBondContact O-CG 3.47Å; R75-Q79 PolarHBondContact O-N 3.47Å
76D95.1Very high95.7Very high39 Ų3959.7 Ų59.721%0.20928%0.276CS..Hα-helixtrans-64.7-44.5175.3-56.4-35.4000110.8M72 T73 Q78 Q79 Y80M72-D76 HydrophobicContact CB-CB 4.41Å; M72-D76 HydrophobicContact CE-CB 3.99Å; M72-D76 HydrophobicContact CG-CB 4.37Å; T73-D76 WeakPolarHBondContact CB-OD2 3.36Å; T73-D76 WeakPolarHBondContact CG2-OD2 3.46Å; T73-D76 PolarHBondContact N-OD2 3.36Å; T73-D76 PolarHBondContact O-N 3.3Å; T73-D76 PolarHBondContact OG1-N 3.36Å; T73-D76 PolarHBondContact OG1-OD1 3.31Å; T73-D76 PolarHBondContact OG1-OD2 3.35Å; D76-Q78 VanDerWaalsContact C-N 3.33Å; D76-Q78 PolarHBondContact O-N 3.21Å; D76-Q79 PolarHBondContact O-N 3.27Å; D76-Y80 WeakPolarHBondContact O-CB 3.38Å; D76-Y80 PolarHBondContact O-N 2.9Å
77V97.4Very high95.6Very high0 Ų061 Ų610%029%0.285CS..Hα-helixtrans-60.7-44.3177.7176.90000111.2M50 V68 M72 T73 K74 Y80 L81 V92 A132 V134M50-V77 HydrophobicContact SD-CG1 4.27Å; V68-V77 HydrophobicContact CB-CG2 4.47Å; V68-V77 HydrophobicContact CG1-CG2 3.95Å; M72-V77 HydrophobicContact CB-CG2 4.25Å; M72-V77 HydrophobicContact CE-CB 4.15Å; M72-V77 HydrophobicContact CE-CG2 3.62Å; M72-V77 HydrophobicContact SD-CG2 4.32Å; T73-V77 WeakPolarHBondContact O-CG2 2.98Å; T73-V77 PolarHBondContact O-N 3.24Å; T73-V77 VanDerWaalsContact O-N 3.1Å; K74-V77 PolarHBondContact O-N 2.99Å; V77-Y80 PolarHBondContact O-N 2.85Å; V77-L81 HydrophobicContact CG1-CD1 4.3Å; V77-L81 PolarHBondContact O-N 3.41Å; V77-L81 VanDerWaalsContact O-N 3.15Å; V77-V92 HydrophobicContact CB-CG1 4.1Å; V77-V92 HydrophobicContact CG1-CG1 3.88Å; V77-V92 HydrophobicContact CG1-CG2 4.47Å; V77-A132 HydrophobicContact CG1-CB 4.15Å; V77-A132 HydrophobicContact CG2-CB 4.43Å; V77-V134 HydrophobicContact CG1-CG2 4.18Å
78Q97.2Very high95.6Very high36 Ų3661 Ų6117%0.16829%0.291CS..Hα-helixtrans-59.8-52.9176.5-178.71766.300111.3K74 R75 D76 Y80 L81 E82 V89 V92K74-Q78 PolarHBondContact O-N 3.37Å; R75-Q78 PolarHBondContact O-N 3.06Å; D76-Q78 VanDerWaalsContact C-N 3.33Å; D76-Q78 PolarHBondContact O-N 3.21Å; Q78-Y80 VanDerWaalsContact C-N 3.28Å; Q78-Y80 PolarHBondContact O-N 2.68Å; Q78-L81 PolarHBondContact O-N 2.81Å; Q78-E82 HydrophobicContact CG-CG 4.45Å; Q78-E82 WeakPolarHBondContact CG-OE1 3.32Å; Q78-E82 PolarHBondContact NE2-OE1 3.42Å; Q78-E82 WeakPolarHBondContact O-CB 3.14Å; Q78-E82 WeakPolarHBondContact O-CG 3.25Å; Q78-E82 PolarHBondContact O-N 3.39Å; Q78-V89 HydrophobicContact CG-CB 4.43Å; Q78-V89 HydrophobicContact CG-CG1 4.44Å; Q78-V92 HydrophobicContact CB-CG2 4.13Å
79Q95.7Very high95.6Very high79 Ų7961.6 Ų61.637%0.36929%0.294SS..Hα-helixtrans-63.5-34.3180-72.4-174.640.300112.8R75 D76 K83R75-Q79 WeakPolarHBondContact O-CG 3.47Å; R75-Q79 PolarHBondContact O-N 3.47Å; D76-Q79 PolarHBondContact O-N 3.27Å; Q79-K83 HydrophobicContact CB-CD 4.4Å; Q79-K83 WeakPolarHBondContact O-CB 3.41Å; Q79-K83 VanDerWaalsContact O-CG 3.31Å; Q79-K83 WeakPolarHBondContact O-CG 3.07Å; Q79-K83 PolarHBondContact O-N 3.14Å
80Y96.5Very high95.7Very high38 Ų3864.9 Ų64.915%0.14931%0.314CS..Hα-helixtrans-63.5-47178.9-166.4-89.1000110.8P46 F48 M50 M72 D76 V77 Q78 I84 Y85P46-Y80 HydrophobicContact CB-CD2 4.44Å; P46-Y80 HydrophobicContact CB-CE2 4.2Å; P46-Y80 HydrophobicContact CG-CD2 4.22Å; P46-Y80 HydrophobicContact CG-CE2 3.82Å; F48-Y80 PolarHBondContact O-OH 2.62Å; M50-Y80 HydrophobicContact CB-CE1 4.43Å; M50-Y80 HydrophobicContact CE-CD1 4.01Å; M50-Y80 HydrophobicContact CE-CE1 4.3Å; M72-Y80 HydrophobicContact CE-CD2 4.35Å; M72-Y80 HydrophobicContact CE-CG 4.24Å; D76-Y80 WeakPolarHBondContact O-CB 3.38Å; D76-Y80 PolarHBondContact O-N 2.9Å; V77-Y80 PolarHBondContact O-N 2.85Å; Q78-Y80 VanDerWaalsContact C-N 3.28Å; Q78-Y80 PolarHBondContact O-N 2.68Å; Y80-I84 HydrophobicContact CD1-CD1 4.16Å; Y80-I84 HydrophobicContact CD2-CD1 3.48Å; Y80-I84 VanDerWaalsContact CD2-CD1 3.48Å; Y80-I84 HydrophobicContact CE1-CD1 4.09Å; Y80-I84 HydrophobicContact CE2-CD1 3.38Å; Y80-I84 HydrophobicContact CG-CD1 3.86Å; Y80-I84 VanDerWaalsContact O-CB 3.25Å; Y80-I84 WeakPolarHBondContact O-CB 3.15Å; Y80-I84 PolarHBondContact O-N 3.46Å; Y80-Y85 HydrophobicContact CD1-CD2 4.4Å; Y80-Y85 HydrophobicContact CD1-CE2 4.13Å; Y80-Y85 HydrophobicContact CE1-CD2 4.41Å; Y80-Y85 AromaticContact CE1-CE2 3.71Å; Y80-Y85 HydrophobicContact CE1-CE2 3.71Å
81L96.8Very high96Very high6 Ų665.7 Ų65.73%0.03132%0.317CS..Hα-helixtrans-67-44.1177.2-74.1172.4000112.5M50 F66 V77 Q78 Y85 N86 V87 V89 V134M50-L81 HydrophobicContact CE-CD1 4.41Å; M50-L81 HydrophobicContact CE-CD2 3.4Å; M50-L81 HydrophobicContact CE-CG 3.85Å; F66-L81 HydrophobicContact CE2-CD1 4.02Å; F66-L81 HydrophobicContact CE2-CD2 4.37Å; F66-L81 HydrophobicContact CZ-CD2 4.07Å; V77-L81 HydrophobicContact CG1-CD1 4.3Å; V77-L81 PolarHBondContact O-N 3.41Å; V77-L81 VanDerWaalsContact O-N 3.15Å; Q78-L81 PolarHBondContact O-N 2.81Å; L81-Y85 HydrophobicContact CD2-CD2 4.29Å; L81-Y85 CarbonylContact O-C 3.59Å; L81-Y85 WeakPolarHBondContact O-CA 3.46Å; L81-Y85 WeakPolarHBondContact O-CB 3.22Å; L81-Y85 PolarHBondContact O-N 3.37Å; L81-N86 PolarHBondContact O-N 2.67Å; L81-V87 HydrophobicContact CB-CB 4.43Å; L81-V87 PolarHBondContact O-N 3.13Å; L81-V89 HydrophobicContact CB-CG2 3.95Å; L81-V89 HydrophobicContact CD1-CG2 3.94Å; L81-V134 HydrophobicContact CD1-CB 4.39Å; L81-V134 HydrophobicContact CD1-CG1 3.79Å; L81-V134 HydrophobicContact CD1-CG2 3.85Å
82E96.7Very high96.2Very high70 Ų7062.5 Ų62.533%0.32730%0.302SS..Hα-helixtrans-69.1-42.6-179.2-72.3171.9-175.600112.3Q78 N86 V87Q78-E82 HydrophobicContact CG-CG 4.45Å; Q78-E82 WeakPolarHBondContact CG-OE1 3.32Å; Q78-E82 PolarHBondContact NE2-OE1 3.42Å; Q78-E82 WeakPolarHBondContact O-CB 3.14Å; Q78-E82 WeakPolarHBondContact O-CG 3.25Å; Q78-E82 PolarHBondContact O-N 3.39Å; E82-N86 VanDerWaalsContact O-CA 3.26Å; E82-N86 WeakPolarHBondContact O-CA 3.39Å; E82-N86 PolarHBondContact O-N 2.74Å; E82-V87 WeakPolarHBondContact CG-O 3.28Å
83K95.1Very high96.4Very high147 Ų14770.9 Ų70.964%0.63933%0.334SS*.Hα-helixtrans-87.6-35.5-173.3-65.1178.2175.6171.80114.3Q79Q79-K83 HydrophobicContact CB-CD 4.4Å; Q79-K83 WeakPolarHBondContact O-CB 3.41Å; Q79-K83 VanDerWaalsContact O-CG 3.31Å; Q79-K83 WeakPolarHBondContact O-CG 3.07Å; Q79-K83 PolarHBondContact O-N 3.14Å
84I95.6Very high96.6Very high83 Ų8369.9 Ų69.943%0.42633%0.327SS..Hα-helixtrans-92.7-43-175.8-56.8176.4000110.5P46 Y80P46-I84 HydrophobicContact CG-CD1 4.06Å; Y80-I84 HydrophobicContact CD1-CD1 4.16Å; Y80-I84 HydrophobicContact CD2-CD1 3.48Å; Y80-I84 VanDerWaalsContact CD2-CD1 3.48Å; Y80-I84 HydrophobicContact CE1-CD1 4.09Å; Y80-I84 HydrophobicContact CE2-CD1 3.38Å; Y80-I84 HydrophobicContact CG-CD1 3.86Å; Y80-I84 VanDerWaalsContact O-CB 3.25Å; Y80-I84 WeakPolarHBondContact O-CB 3.15Å; Y80-I84 PolarHBondContact O-N 3.46Å
85Y96Very high96.5Very high136 Ų13671.7 Ų71.753%0.53334%0.335SS..SBendtrans-103.4-5.2-175.8-66.3-78.4000114Y80 L81 V87Y80-Y85 HydrophobicContact CD1-CD2 4.4Å; Y80-Y85 HydrophobicContact CD1-CE2 4.13Å; Y80-Y85 HydrophobicContact CE1-CD2 4.41Å; Y80-Y85 AromaticContact CE1-CE2 3.71Å; Y80-Y85 HydrophobicContact CE1-CE2 3.71Å; L81-Y85 HydrophobicContact CD2-CD2 4.29Å; L81-Y85 CarbonylContact O-C 3.59Å; L81-Y85 WeakPolarHBondContact O-CA 3.46Å; L81-Y85 WeakPolarHBondContact O-CB 3.22Å; L81-Y85 PolarHBondContact O-N 3.37Å; Y85-V87 PolarHBondContact O-N 2.6Å
86N96.9Very high96.5Very high132 Ų13267 Ų6771%0.70632%0.321SS*.  trans55.231.6-176.7-53-57.7000113.2L81 E82L81-N86 PolarHBondContact O-N 2.67Å; E82-N86 VanDerWaalsContact O-CA 3.26Å; E82-N86 WeakPolarHBondContact O-CA 3.39Å; E82-N86 PolarHBondContact O-N 2.74Å
87V95.6Very high96.5Very high44 Ų4467.3 Ų67.327%0.26732%0.324SS..  trans-90124.8179.4176.60000109L81 E82 Y85 V89 L136L81-V87 HydrophobicContact CB-CB 4.43Å; L81-V87 PolarHBondContact O-N 3.13Å; E82-V87 WeakPolarHBondContact CG-O 3.28Å; Y85-V87 PolarHBondContact O-N 2.6Å; V87-V89 HydrophobicContact CG1-CG2 4.27Å; V87-V89 PolarHBondContact O-N 2.96Å; V87-L136 HydrophobicContact CG1-CD2 3.59Å
88P96.1Very high96.4Very high53 Ų5375.1 Ų75.134%0.34436%0.355SS..  trans-78.6120.2179.334.5-36.4000110.3V137 E140P88-V137 HydrophobicContact CB-CB 4.5Å; P88-V137 HydrophobicContact CB-CG2 3.62Å; P88-V137 HydrophobicContact CG-CB 4.44Å; P88-V137 HydrophobicContact CG-CG2 4.07Å; P88-E140 WeakPolarHBondContact CG-OE2 3.42Å
89V97.2Very high96.1Very high12 Ų1276.9 Ų76.97%0.07336%0.363CS..EExtended strand (participates in β ladder)trans-116.3134.3-175177.70000110.5Q78 L81 V87 V92 V134Q78-V89 HydrophobicContact CG-CB 4.43Å; Q78-V89 HydrophobicContact CG-CG1 4.44Å; L81-V89 HydrophobicContact CB-CG2 3.95Å; L81-V89 HydrophobicContact CD1-CG2 3.94Å; V87-V89 HydrophobicContact CG1-CG2 4.27Å; V87-V89 PolarHBondContact O-N 2.96Å; V89-V92 HydrophobicContact CG1-CG2 3.55Å; V89-V134 HydrophobicContact CB-CG1 4.37Å; V89-V134 HydrophobicContact CG1-CG1 3.64Å; V89-V134 HydrophobicContact CG2-CG1 3.79Å
90V96.5Very high95.9Very high73 Ų7380.3 Ų80.344%0.44238%0.384SS..EExtended strand (participates in β ladder)trans-90.4-52177.9176.60000111.2R135 L136 V137V90-R135 PolarHBondContact N-O 3.13Å; V90-L136 WeakPolarHBondContact CG2-O 3.41Å; V90-V137 VanDerWaalsContact CG2-CA 3.5Å; V90-V137 HydrophobicContact CG2-CB 4.32Å; V90-V137 HydrophobicContact CG2-CG2 3.9Å
91D97Very high95.5Very high44 Ų4485.1 Ų85.124%0.23541%0.411CS..EExtended strand (participates in β ladder)trans-147149-176.3-17236.3000110.2K74 R93 R135K74-D91 WeakPolarHBondContact CE-OD1 3.49Å; K74-D91 IonicContact NZ-OD1 3.95Å; K74-D91 PolarHBondContact NZ-OD1 2.82Å; D91-R93 IonicContact OD2-NE 3.6Å; D91-R135 HydrophobicContact CB-CB 4.33Å; D91-R135 PolarHBondContact N-O 2.82Å; D91-R135 PolarHBondContact O-N 3.25Å
92V97.9Very high94.9Very high0 Ų087.4 Ų87.40%042%0.422CS..EExtended strand (participates in β ladder)trans-128.1133.4174.8-1790000108.6K74 V77 Q78 V89 V94 A132 Y133 V134K74-V92 WeakPolarHBondContact CD-O 3.41Å; K74-V92 WeakPolarHBondContact CE-O 3.22Å; K74-V92 HydrophobicContact CG-CB 3.92Å; K74-V92 HydrophobicContact CG-CG1 4.3Å; K74-V92 VanDerWaalsContact CG-O 3.3Å; K74-V92 WeakPolarHBondContact CG-O 3.28Å; K74-V92 PolarHBondContact NZ-O 2.81Å; V77-V92 HydrophobicContact CB-CG1 4.1Å; V77-V92 HydrophobicContact CG1-CG1 3.88Å; V77-V92 HydrophobicContact CG1-CG2 4.47Å; Q78-V92 HydrophobicContact CB-CG2 4.13Å; V89-V92 HydrophobicContact CG1-CG2 3.55Å; V92-V94 HydrophobicContact CG1-CG2 3.92Å; V92-A132 HydrophobicContact CG1-CB 4.33Å; V92-Y133 CarbonylContact C-O 3.52Å; V92-Y133 WeakPolarHBondContact CA-O 3.39Å; V92-V134 HydrophobicContact CG1-CG2 4.23Å; V92-V134 HydrophobicContact CG2-CG1 4.38Å; V92-V134 HydrophobicContact CG2-CG2 4.16Å
93R97.6Very high94.2Very high177 Ų17786.7 Ų86.767%0.66842%0.423SS*.EExtended strand (participates in β ladder)trans-120.4130.5171.6-65.3-175.9177.1-148.3-1.1108.6D91 A132 Y133D91-R93 IonicContact OD2-NE 3.6Å; R93-A132 CarbonylContact O-C 3.53Å; R93-A132 WeakPolarHBondContact O-CA 3.11Å; R93-Y133 PolarHBondContact N-O 3.26Å; R93-Y133 PolarHBondContact O-N 2.73Å
94V97.7Very high93.6Very high48 Ų4887.6 Ų87.629%0.29143%0.433SS..EExtended strand (participates in β ladder)trans-118.5135.7-177.6-166.10000109.2V68 K74 V92 K130 V131 A132V68-V94 HydrophobicContact CG2-CG1 4.33Å; K74-V94 HydrophobicContact CB-CG2 4.23Å; V92-V94 HydrophobicContact CG1-CG2 3.92Å; V94-K130 HydrophobicContact CG1-CD 3.83Å; V94-K130 HydrophobicContact CG1-CG 3.38Å; V94-V131 CarbonylContact C-O 3.56Å; V94-V131 WeakPolarHBondContact CA-O 3.26Å; V94-A132 HydrophobicContact CG2-CB 4.2Å
95K96.6Very high92.9Very high126 Ų12691 Ų9155%0.54845%0.452SS..EExtended strand (participates in β ladder)trans-130.4137.1179.5-180179176.1-176.20109.4V97 V131K95-V97 HydrophobicContact CD-CG2 4.43Å; K95-V97 HydrophobicContact CG-CG2 4.38Å; K95-V131 PolarHBondContact N-O 2.75Å; K95-V131 PolarHBondContact O-N 3Å
96M96.1Very high92.1Very high65 Ų6586.1 Ų86.132%0.3244%0.435SS..EExtended strand (participates in β ladder)trans-84.3126.1166.8-145.978.8158.400108.2P70 Y98 Y128 K130P70-M96 HydrophobicContact CB-CE 4.16Å; M96-Y98 HydrophobicContact CB-CE2 4.24Å; M96-Y98 HydrophobicContact CG-CE2 4.12Å; M96-Y128 HydrophobicContact CE-CD1 4.47Å; M96-Y128 HydrophobicContact CE-CD2 3.29Å; M96-Y128 HydrophobicContact CE-CE2 3.43Å; M96-Y128 VanDerWaalsContact CE-CE2 3.43Å; M96-Y128 HydrophobicContact CE-CG 3.88Å; M96-Y128 HydrophobicContact SD-CD2 4.35Å; M96-K130 HydrophobicContact SD-CB 4.06Å; M96-K130 HydrophobicContact SD-CD 4.2Å; M96-K130 HydrophobicContact SD-CG 4.12Å
97V95.1Very high91.3Very high45 Ų4582.9 Ų82.927%0.27342%0.42SS..EExtended strand (participates in β ladder)trans-111.8128177-179.90000107.6K95 Y128 E129 V131K95-V97 HydrophobicContact CD-CG2 4.43Å; K95-V97 HydrophobicContact CG-CG2 4.38Å; V97-Y128 CarbonylContact O-C 3.22Å; V97-Y128 WeakPolarHBondContact O-CA 3.38Å; V97-Y128 WeakPolarHBondContact O-CB 3.42Å; V97-E129 PolarHBondContact N-O 2.84Å; V97-E129 PolarHBondContact O-N 3.18Å; V97-V131 HydrophobicContact CB-CG2 4.47Å; V97-V131 HydrophobicContact CG2-CB 4.36Å; V97-V131 HydrophobicContact CG2-CG2 3.77Å
98Y94.2Very high90.7Very high163 Ų16384.4 Ų84.464%0.63944%0.438SS*.EExtended strand (participates in β ladder)trans-103.2143.3177-68.1-91.4000109.7M96 R127 Y128M96-Y98 HydrophobicContact CB-CE2 4.24Å; M96-Y98 HydrophobicContact CG-CE2 4.12Å; Y98-R127 CarbonylContact C-O 3.48Å; Y98-R127 WeakPolarHBondContact CA-O 3.21Å; Y98-Y128 HydrophobicContact CE1-CD1 4.05Å; Y98-Y128 HydrophobicContact CE1-CG 4.32Å
99H91.3Very high90.1Very high74 Ų7489.1 Ų89.134%0.34345%0.453SS..  trans-107.1138.3176-55.9-53.7000109.1L101 R127 E129H99-L101 VanDerWaalsContact C-N 3.32Å; H99-R127 PolarHBondContact N-O 2.86Å; H99-E129 IonicContact CD2-OE1 3.94Å; H99-E129 IonicContact CE1-OE1 2.68Å; H99-E129 WeakPolarHBondContact NE2-CG 3.16Å; H99-E129 IonicContact NE2-OE1 2.6Å; H99-E129 PolarHBondContact NE2-OE1 3.31Å
100D90.4Very high89.3Confident150 Ų15094 Ų9480%0.80247%0.47SS*.SBendtrans-70.3-35.1179.5-59.4-36.7000111.4R127D100-R127 PolarHBondContact O-NH1 3.33Å
101L88.4Confident88.6Confident140 Ų14092.5 Ų92.573%0.73346%0.463SS*.SBendtrans-102.7157.4-174.8-58.4179.4000112.6H99H99-L101 VanDerWaalsContact C-N 3.32Å
102E84.2Confident87.9Confident54 Ų5493 Ų9325%0.25247%0.474SS..PPolyproline II helixtrans-68148.7170.2-65.5-174.4177.900109.9I104 R114 P125 R127E102-I104 PolarHBondContact O-N 3.07Å; E102-R114 IonicContact OE1-NH1 3.67Å; E102-R114 PolarHBondContact OE1-NH1 2.82Å; E102-R114 IonicContact OE2-CZ 2.81Å; E102-R114 IonicContact OE2-NH1 2.74Å; E102-R114 PolarHBondContact OE2-NH1 2.77Å; E102-R114 IonicContact OE2-NH2 3.75Å; E102-R114 PolarHBondContact OE2-NH2 2.99Å; E102-P125 HydrophobicContact CB-CG 4.21Å; E102-P125 HydrophobicContact CG-CG 4.19Å; E102-R127 VanDerWaalsContact CG-CZ 3.48Å; E102-R127 IonicContact OE1-CZ 2.91Å; E102-R127 IonicContact OE1-NE 3.99Å; E102-R127 IonicContact OE1-NH2 3.02Å; E102-R127 PolarHBondContact OE1-NH2 2.67Å
103P83.3Confident87.2Confident55 Ų5596.2 Ų96.236%0.35749%0.488SS..PPolyproline II helixtrans-55134.6173.2-23.133.1000111.3D105 E106 P125P103-D105 PolarHBondContact O-N 2.87Å; P103-E106 PolarHBondContact O-N 3.23Å; P103-P125 HydrophobicContact CG-CB 4.19Å; P103-P125 HydrophobicContact CG-CG 4.37Å
104I81.5Confident86.5Confident166 Ų16689 Ų8985%0.85146%0.461SS*.THydrogen-bonded Turntrans-62.1-29.4-179.9-61.2170000111.2E102 E106E102-I104 PolarHBondContact O-N 3.07Å; I104-E106 PolarHBondContact O-N 3.36Å; I104-E106 VanDerWaalsContact O-N 3.12Å
105D81.2Confident85.8Confident153 Ų15394 Ų9482%0.81849%0.485SS*.THydrogen-bonded Turntrans-75.84.2-175.7-52.1-25.8000113.8P103P103-D105 PolarHBondContact O-N 2.87Å
106E78.9Confident85.2Confident35 Ų3592.2 Ų92.216%0.16450%0.495CS..SBendtrans-74.1125.5178.5-162.5177-178.900111.1P103 I104 A108 R110 R114 P125P103-E106 PolarHBondContact O-N 3.23Å; I104-E106 PolarHBondContact O-N 3.36Å; I104-E106 VanDerWaalsContact O-N 3.12Å; E106-A108 PolarHBondContact O-N 3.4Å; E106-R110 HydrophobicContact CG-CB 4.48Å; E106-R114 IonicContact OE1-CZ 3.87Å; E106-R114 IonicContact OE1-NE 3.54Å; E106-R114 IonicContact OE1-NH2 3.34Å; E106-R114 PolarHBondContact OE1-NH2 3.44Å; E106-R114 IonicContact OE2-CZ 2.73Å; E106-R114 IonicContact OE2-NH2 3.17Å; E106-R114 PolarHBondContact OE2-NH2 3.45Å; E106-P125 WeakPolarHBondContact OE2-CD 2.85Å; E106-P125 WeakPolarHBondContact OE2-CG 3.34Å
107P81.7Confident84.4Confident63 Ų6392 Ų9241%0.40950%0.495SS..  trans-63.2129.3-179.924.5-33.7000110.4F109 R110P107-F109 PolarHBondContact O-N 2.76Å; P107-R110 HydrophobicContact CG-CB 4.36Å; P107-R110 HydrophobicContact CG-CG 3.96Å; P107-R110 PolarHBondContact O-N 2.74Å
108A82.5Confident83.5Confident76 Ų7695.4 Ų95.463%0.62852%0.52SS*.Hα-helixtrans-52.6-28.5-17900000113.6E106 R110 S111 A112E106-A108 PolarHBondContact O-N 3.4Å; A108-R110 VanDerWaalsContact C-N 3.32Å; A108-R110 PolarHBondContact O-N 3.03Å; A108-S111 PolarHBondContact O-N 2.79Å; A108-S111 PolarHBondContact O-OG 2.83Å; A108-A112 WeakPolarHBondContact O-CB 3.26Å; A108-A112 PolarHBondContact O-N 2.79Å
109F83.7Confident82.8Confident153 Ų15391.3 Ų91.367%0.67151%0.512SS*.Hα-helixtrans-59.3-40.1174.1179.8-98.1000112.9P107 Q113P107-F109 PolarHBondContact O-N 2.76Å; F109-Q113 WeakPolarHBondContact O-CB 3.34Å; F109-Q113 PolarHBondContact O-N 2.84Å
110R79.9Confident82Confident113 Ų11393.6 Ų93.643%0.42652%0.523SS..Hα-helixtrans-71.1-38179.7-75.3-171.8-169.4161.85.2112.4E106 P107 A108 Q113 R114 P122E106-R110 HydrophobicContact CG-CB 4.48Å; P107-R110 HydrophobicContact CG-CB 4.36Å; P107-R110 HydrophobicContact CG-CG 3.96Å; P107-R110 PolarHBondContact O-N 2.74Å; A108-R110 VanDerWaalsContact C-N 3.32Å; A108-R110 PolarHBondContact O-N 3.03Å; R110-Q113 PolarHBondContact O-N 3.3Å; R110-R114 PolarHBondContact O-N 3.19Å; R110-R114 VanDerWaalsContact O-N 3.07Å; R110-P122 HydrophobicContact CB-CG 4.15Å; R110-P122 HydrophobicContact CG-CG 4.04Å
111S81Confident81.1Confident43 Ų4391.8 Ų91.830%0.30151%0.509SS..Hα-helixtrans-66.1-41.3176.767.60000110.8A108 R114 L115A108-S111 PolarHBondContact O-N 2.79Å; A108-S111 PolarHBondContact O-OG 2.83Å; S111-R114 PolarHBondContact O-N 3.48Å; S111-L115 WeakPolarHBondContact O-CG 3.5Å; S111-L115 PolarHBondContact O-N 3.15Å
112A83.3Confident80.5Confident55 Ų5585.5 Ų85.546%0.45548%0.476SS..Hα-helixtrans-64-43.317500000112.1A108 R114 L115 A116A108-A112 WeakPolarHBondContact O-CB 3.26Å; A108-A112 PolarHBondContact O-N 2.79Å; A112-R114 VanDerWaalsContact C-N 3.32Å; A112-R114 PolarHBondContact O-N 2.91Å; A112-L115 PolarHBondContact O-N 3.41Å; A112-L115 VanDerWaalsContact O-N 3.11Å; A112-A116 PolarHBondContact O-N 2.84Å
113Q83.1Confident80.2Confident66 Ų6685.6 Ų85.631%0.30848%0.482SS..Hα-helixtrans-59.5-42.1177-170174.17.600111.8F109 R110 L115 A116 D117F109-Q113 WeakPolarHBondContact O-CB 3.34Å; F109-Q113 PolarHBondContact O-N 2.84Å; R110-Q113 PolarHBondContact O-N 3.3Å; Q113-L115 VanDerWaalsContact C-N 3.3Å; Q113-L115 PolarHBondContact O-N 2.83Å; Q113-A116 PolarHBondContact O-N 3.35Å; Q113-D117 WeakPolarHBondContact O-CB 3.26Å; Q113-D117 PolarHBondContact O-N 2.97Å
114R83.2Confident80.1Confident26 Ų2688.5 Ų88.510%0.09849%0.488CS..Hα-helixtrans-61.5-34.8174.5-83.7-172.2-83.1135.7-13.4113.9E102 E106 R110 S111 A112 P122E102-R114 IonicContact OE1-NH1 3.67Å; E102-R114 PolarHBondContact OE1-NH1 2.82Å; E102-R114 IonicContact OE2-CZ 2.81Å; E102-R114 IonicContact OE2-NH1 2.74Å; E102-R114 PolarHBondContact OE2-NH1 2.77Å; E102-R114 IonicContact OE2-NH2 3.75Å; E102-R114 PolarHBondContact OE2-NH2 2.99Å; E106-R114 IonicContact OE1-CZ 3.87Å; E106-R114 IonicContact OE1-NE 3.54Å; E106-R114 IonicContact OE1-NH2 3.34Å; E106-R114 PolarHBondContact OE1-NH2 3.44Å; E106-R114 IonicContact OE2-CZ 2.73Å; E106-R114 IonicContact OE2-NH2 3.17Å; E106-R114 PolarHBondContact OE2-NH2 3.45Å; R110-R114 PolarHBondContact O-N 3.19Å; R110-R114 VanDerWaalsContact O-N 3.07Å; S111-R114 PolarHBondContact O-N 3.48Å; A112-R114 VanDerWaalsContact C-N 3.32Å; A112-R114 PolarHBondContact O-N 2.91Å; R114-P122 WeakPolarHBondContact CD-O 3.28Å; R114-P122 WeakPolarHBondContact CG-O 3.29Å
115L82.2Confident80.2Confident152 Ų15281.1 Ų81.180%0.79645%0.451SS*.Hα-helixtrans-73.7-32.8179-73.7163.2000111.4S111 A112 Q113S111-L115 WeakPolarHBondContact O-CG 3.5Å; S111-L115 PolarHBondContact O-N 3.15Å; A112-L115 PolarHBondContact O-N 3.41Å; A112-L115 VanDerWaalsContact O-N 3.11Å; Q113-L115 VanDerWaalsContact C-N 3.3Å; Q113-L115 PolarHBondContact O-N 2.83Å
116A84.1Confident80.3Confident90 Ų9077.4 Ų77.474%0.74443%0.429SS*.Hα-helixtrans-79.4-34.1177.700000112.9A112 Q113A112-A116 PolarHBondContact O-N 2.84Å; Q113-A116 PolarHBondContact O-N 3.35Å
117D79.3Confident80.8Confident60 Ų6079.8 Ų79.832%0.32144%0.437SS..  trans-90.7115.4-175.7-155.4-22.9000111.2Q113 T119 Q120Q113-D117 WeakPolarHBondContact O-CB 3.26Å; Q113-D117 PolarHBondContact O-N 2.97Å; D117-T119 PolarHBondContact O-N 3.05Å; D117-T119 PolarHBondContact OD1-N 2.77Å; D117-T119 PolarHBondContact OD1-OG1 3.02Å; D117-T119 PolarHBondContact OD2-OG1 2.82Å; D117-Q120 PolarHBondContact O-N 2.85Å
118S76.7Confident81.2Confident116 Ų11680.2 Ų80.281%0.81143%0.431SS*.THydrogen-bonded Turntrans-58.8-24.9-179.772.70000113.2Q120S118-Q120 PolarHBondContact O-N 2.92Å
119T78.9Confident81.7Confident77 Ų7779 Ų7947%0.47241%0.412SS..THydrogen-bonded Turntrans-80.1-4.7179.661.30000113.1D117 F121D117-T119 PolarHBondContact O-N 3.05Å; D117-T119 PolarHBondContact OD1-N 2.77Å; D117-T119 PolarHBondContact OD1-OG1 3.02Å; D117-T119 PolarHBondContact OD2-OG1 2.82Å; T119-F121 PolarHBondContact O-N 2.67Å; T119-F121 VanDerWaalsContact OG1-CD2 3.24Å; T119-F121 WeakPolarHBondContact OG1-CD2 3.1Å
120Q74Confident82.3Confident122 Ų12273.6 Ų73.657%0.5739%0.388SS*.  trans5831.4-178.3-57.8172.29.100113.1D117 S118 P122D117-Q120 PolarHBondContact O-N 2.85Å; S118-Q120 PolarHBondContact O-N 2.92Å; Q120-P122 CarbonylContact O-C 3.58Å; Q120-P122 VanDerWaalsContact O-C 3.22Å
121F71.4Confident83.1Confident113 Ų11368.7 Ų68.750%0.49637%0.371SS..PPolyproline II helixtrans-89.6138.4170.7-74.9-66.5000111T119T119-F121 PolarHBondContact O-N 2.67Å; T119-F121 VanDerWaalsContact OG1-CD2 3.24Å; T119-F121 WeakPolarHBondContact OG1-CD2 3.1Å
122P76Confident83.9Confident8 Ų866.6 Ų66.65%0.05236%0.356CS..SBendcis-67.4153.4-6.524.9-31.1000113R110 R114 Q120R110-P122 HydrophobicContact CB-CG 4.15Å; R110-P122 HydrophobicContact CG-CG 4.04Å; R114-P122 WeakPolarHBondContact CD-O 3.28Å; R114-P122 WeakPolarHBondContact CG-O 3.29Å; Q120-P122 CarbonylContact O-C 3.58Å; Q120-P122 VanDerWaalsContact O-C 3.22Å
123P78.3Confident84.6Confident56 Ų5668.3 Ų68.336%0.36435%0.352SS..PPolyproline II helixtrans-58.1147.8179.126.9-35.6000111.4
124K82.2Confident85.3Confident115 Ų11565.2 Ų65.250%0.534%0.337SS..PPolyproline II helixtrans-52145.3175.2-65-170.5177.8174.40110.7
125P83.2Confident85.9Confident12 Ų1270.1 Ų70.18%0.07836%0.356CS..PPolyproline II helixtrans-61.7151.1176.932.1-40.5000110.3E102 P103 E106 R127E102-P125 HydrophobicContact CB-CG 4.21Å; E102-P125 HydrophobicContact CG-CG 4.19Å; P103-P125 HydrophobicContact CG-CB 4.19Å; P103-P125 HydrophobicContact CG-CG 4.37Å; E106-P125 WeakPolarHBondContact OE2-CD 2.85Å; E106-P125 WeakPolarHBondContact OE2-CG 3.34Å; P125-R127 PolarHBondContact O-N 2.79Å
126E83.7Confident86.6Confident75 Ų7563.4 Ų63.435%0.3532%0.32SS..PPolyproline II helixtrans-63.4124.2172.1-65.5180-166.100109.2Y128E126-Y128 VanDerWaalsContact C-N 3.3Å; E126-Y128 HydrophobicContact CB-CD1 4.43Å; E126-Y128 HydrophobicContact CB-CE1 4.09Å; E126-Y128 HydrophobicContact CB-CE2 4.36Å; E126-Y128 HydrophobicContact CG-CE1 4.11Å; E126-Y128 PolarHBondContact OE1-OH 3.45Å; E126-Y128 WeakPolarHBondContact OE2-CE2 3.3Å; E126-Y128 PolarHBondContact OE2-OH 3.29Å
127R88.3Confident87.2Confident85 Ų8561.8 Ų61.832%0.32130%0.301SS..  trans-97.328.1177.5-55.6-173.7-173-1691.5111.9Y98 H99 D100 E102 P125Y98-R127 CarbonylContact C-O 3.48Å; Y98-R127 WeakPolarHBondContact CA-O 3.21Å; H99-R127 PolarHBondContact N-O 2.86Å; D100-R127 PolarHBondContact O-NH1 3.33Å; E102-R127 VanDerWaalsContact CG-CZ 3.48Å; E102-R127 IonicContact OE1-CZ 2.91Å; E102-R127 IonicContact OE1-NE 3.99Å; E102-R127 IonicContact OE1-NH2 3.02Å; E102-R127 PolarHBondContact OE1-NH2 2.67Å; P125-R127 PolarHBondContact O-N 2.79Å
128Y90.6Very high87.8Confident72 Ų7264.1 Ų64.128%0.28232%0.319SS..EExtended strand (participates in β ladder)trans-134.1153.2179.559.9-106.4000111.3P70 M96 V97 Y98 E126P70-Y128 HydrophobicContact CB-CD2 4.43Å; P70-Y128 HydrophobicContact CB-CE2 3.7Å; P70-Y128 HydrophobicContact CG-CE2 4.18Å; M96-Y128 HydrophobicContact CE-CD1 4.47Å; M96-Y128 HydrophobicContact CE-CD2 3.29Å; M96-Y128 HydrophobicContact CE-CE2 3.43Å; M96-Y128 VanDerWaalsContact CE-CE2 3.43Å; M96-Y128 HydrophobicContact CE-CG 3.88Å; M96-Y128 HydrophobicContact SD-CD2 4.35Å; V97-Y128 CarbonylContact O-C 3.22Å; V97-Y128 WeakPolarHBondContact O-CA 3.38Å; V97-Y128 WeakPolarHBondContact O-CB 3.42Å; Y98-Y128 HydrophobicContact CE1-CD1 4.05Å; Y98-Y128 HydrophobicContact CE1-CG 4.32Å; E126-Y128 VanDerWaalsContact C-N 3.3Å; E126-Y128 HydrophobicContact CB-CD1 4.43Å; E126-Y128 HydrophobicContact CB-CE1 4.09Å; E126-Y128 HydrophobicContact CB-CE2 4.36Å; E126-Y128 HydrophobicContact CG-CE1 4.11Å; E126-Y128 PolarHBondContact OE1-OH 3.45Å; E126-Y128 WeakPolarHBondContact OE2-CE2 3.3Å; E126-Y128 PolarHBondContact OE2-OH 3.29Å
129E92.9Very high88.5Confident51 Ų5162.1 Ų62.124%0.23832%0.318CS..EExtended strand (participates in β ladder)trans-131.7140.7174-63.3-175.9-171.800109.2K67 V97 H99K67-E129 VanDerWaalsContact CD-OE2 3.28Å; K67-E129 WeakPolarHBondContact CD-OE2 3.43Å; K67-E129 WeakPolarHBondContact CE-OE2 3.29Å; K67-E129 IonicContact NZ-OE1 2.72Å; K67-E129 PolarHBondContact NZ-OE1 3.1Å; K67-E129 IonicContact NZ-OE2 3.67Å; K67-E129 PolarHBondContact NZ-OE2 2.81Å; V97-E129 PolarHBondContact N-O 2.84Å; V97-E129 PolarHBondContact O-N 3.18Å; H99-E129 IonicContact CD2-OE1 3.94Å; H99-E129 IonicContact CE1-OE1 2.68Å; H99-E129 WeakPolarHBondContact NE2-CG 3.16Å; H99-E129 IonicContact NE2-OE1 2.6Å; H99-E129 PolarHBondContact NE2-OE1 3.31Å
130K96.1Very high89.1Confident38 Ų3862.8 Ų62.817%0.16532%0.315CS..EExtended strand (participates in β ladder)trans-96.2121.6174.5-164.9169.5-165.8170.80108.4K67 V68 P70 M72 V94 M96K67-K130 WeakPolarHBondContact CA-O 3.38Å; V68-K130 HydrophobicContact CG2-CB 3.79Å; V68-K130 HydrophobicContact CG2-CD 4.06Å; V68-K130 HydrophobicContact CG2-CG 3.63Å; V68-K130 WeakPolarHBondContact CG2-O 3.47Å; V68-K130 PolarHBondContact N-O 3.45Å; P70-K130 WeakPolarHBondContact O-CD 3.17Å; P70-K130 PolarHBondContact O-NZ 3.4Å; M72-K130 WeakPolarHBondContact O-CE 3.47Å; M72-K130 PolarHBondContact O-NZ 2.74Å; V94-K130 HydrophobicContact CG1-CD 3.83Å; V94-K130 HydrophobicContact CG1-CG 3.38Å; M96-K130 HydrophobicContact SD-CB 4.06Å; M96-K130 HydrophobicContact SD-CD 4.2Å; M96-K130 HydrophobicContact SD-CG 4.12Å
131V97.2Very high90Very high10 Ų1061.4 Ų61.46%0.06132%0.315CS..EExtended strand (participates in β ladder)trans-110.9126.4-177.6-178.50000108.9M53 V65 F66 V94 K95 V97 Y133M53-V131 HydrophobicContact CE-CB 4.26Å; M53-V131 HydrophobicContact CE-CG1 3.6Å; M53-V131 HydrophobicContact CE-CG2 3.78Å; V65-V131 HydrophobicContact CG1-CG1 3.53Å; F66-V131 CarbonylContact O-C 3.6Å; F66-V131 WeakPolarHBondContact O-CA 3.48Å; V94-V131 CarbonylContact C-O 3.56Å; V94-V131 WeakPolarHBondContact CA-O 3.26Å; K95-V131 PolarHBondContact N-O 2.75Å; K95-V131 PolarHBondContact O-N 3Å; V97-V131 HydrophobicContact CB-CG2 4.47Å; V97-V131 HydrophobicContact CG2-CB 4.36Å; V97-V131 HydrophobicContact CG2-CG2 3.77Å; V131-Y133 HydrophobicContact CG1-CD2 4.48Å; V131-Y133 HydrophobicContact CG1-CE2 3.92Å
132A98Very high91.1Very high0 Ų058.5 Ų58.50%030%0.302CS..EExtended strand (participates in β ladder)trans-107.8123.7174.900000110.1V65 F66 V68 V77 V92 R93 V94V65-A132 WeakPolarHBondContact CA-O 3.36Å; F66-A132 HydrophobicContact CB-CB 4.44Å; F66-A132 PolarHBondContact N-O 3.49Å; F66-A132 PolarHBondContact O-N 3.09Å; V68-A132 HydrophobicContact CG1-CB 3.83Å; V68-A132 HydrophobicContact CG2-CB 4.22Å; V77-A132 HydrophobicContact CG1-CB 4.15Å; V77-A132 HydrophobicContact CG2-CB 4.43Å; V92-A132 HydrophobicContact CG1-CB 4.33Å; R93-A132 CarbonylContact O-C 3.53Å; R93-A132 WeakPolarHBondContact O-CA 3.11Å; V94-A132 HydrophobicContact CG2-CB 4.2Å
133Y97Very high91.8Very high91 Ų9163.6 Ų63.636%0.35733%0.333SS..EExtended strand (participates in β ladder)trans-95115.2168.1-59.8-89.1000107.8V65 V92 R93 V131V65-Y133 HydrophobicContact CG1-CD1 4.44Å; V65-Y133 HydrophobicContact CG1-CE1 4.26Å; V65-Y133 HydrophobicContact CG2-CD1 3.75Å; V65-Y133 HydrophobicContact CG2-CE1 3.91Å; V92-Y133 CarbonylContact C-O 3.52Å; V92-Y133 WeakPolarHBondContact CA-O 3.39Å; R93-Y133 PolarHBondContact N-O 3.26Å; R93-Y133 PolarHBondContact O-N 2.73Å; V131-Y133 HydrophobicContact CG1-CD2 4.48Å; V131-Y133 HydrophobicContact CG1-CE2 3.92Å
134V97.4Very high92.6Very high0 Ų063.4 Ų63.40%033%0.327CS..EExtended strand (participates in β ladder)trans-108.5127.5-176.3177.90000108.3H63 V64 F66 V77 L81 V89 V92 L136H63-V134 WeakPolarHBondContact CA-O 3.31Å; V64-V134 PolarHBondContact N-O 2.93Å; V64-V134 PolarHBondContact O-N 3.38Å; F66-V134 HydrophobicContact CD2-CB 4.28Å; F66-V134 HydrophobicContact CD2-CG2 3.61Å; F66-V134 HydrophobicContact CE2-CB 4.12Å; F66-V134 HydrophobicContact CE2-CG2 3.82Å; V77-V134 HydrophobicContact CG1-CG2 4.18Å; L81-V134 HydrophobicContact CD1-CB 4.39Å; L81-V134 HydrophobicContact CD1-CG1 3.79Å; L81-V134 HydrophobicContact CD1-CG2 3.85Å; V89-V134 HydrophobicContact CB-CG1 4.37Å; V89-V134 HydrophobicContact CG1-CG1 3.64Å; V89-V134 HydrophobicContact CG2-CG1 3.79Å; V92-V134 HydrophobicContact CG1-CG2 4.23Å; V92-V134 HydrophobicContact CG2-CG1 4.38Å; V92-V134 HydrophobicContact CG2-CG2 4.16Å; V134-L136 HydrophobicContact CG1-CD2 4.42Å
135R97Very high93Very high130 Ų13061.1 Ų61.149%0.49132%0.324SS..EExtended strand (participates in β ladder)trans-99.7117.3174.4-170.9177.5-167.4177.35.4109V90 D91V90-R135 PolarHBondContact N-O 3.13Å; D91-R135 HydrophobicContact CB-CB 4.33Å; D91-R135 PolarHBondContact N-O 2.82Å; D91-R135 PolarHBondContact O-N 3.25Å
136L96.8Very high93.4Very high11 Ų1165 Ų656%0.05834%0.344CS..EExtended strand (participates in β ladder)trans-75.3166.5175.4-58178.7000111.4N62 V64 V87 V90 V134 E140 F142N62-L136 PolarHBondContact O-N 3.49Å; V64-L136 HydrophobicContact CG2-CD1 3.79Å; V64-L136 HydrophobicContact CG2-CD2 4.35Å; V64-L136 HydrophobicContact CG2-CG 4.06Å; V87-L136 HydrophobicContact CG1-CD2 3.59Å; V90-L136 WeakPolarHBondContact CG2-O 3.41Å; V134-L136 HydrophobicContact CG1-CD2 4.42Å; L136-E140 HydrophobicContact CB-CB 4.32Å; L136-E140 HydrophobicContact CD1-CG 4.32Å; L136-F142 HydrophobicContact CD1-CB 3.87Å
137V95.9Very high93.7Very high56 Ų5665.9 Ų65.934%0.33935%0.35SS..PPolyproline II helixtrans-57.6142.2174.7174.20000111.1P88 V90 G139 E140P88-V137 HydrophobicContact CB-CB 4.5Å; P88-V137 HydrophobicContact CB-CG2 3.62Å; P88-V137 HydrophobicContact CG-CB 4.44Å; P88-V137 HydrophobicContact CG-CG2 4.07Å; V90-V137 VanDerWaalsContact CG2-CA 3.5Å; V90-V137 HydrophobicContact CG2-CB 4.32Å; V90-V137 HydrophobicContact CG2-CG2 3.9Å; V137-G139 PolarHBondContact O-N 3.3Å; V137-E140 PolarHBondContact O-N 3.23Å; V137-E140 VanDerWaalsContact O-N 3.09Å
138P91.8Very high93.6Very high108 Ų10868.6 Ų68.670%0.70137%0.365SS*.THydrogen-bonded Turntrans-57.3126.7175.1-21.533.7000110.5
139G92Very high93.3Very high75 Ų7572.7 Ų72.777%0.77338%0.384SS*.THydrogen-bonded Turntrans109.7-23.1-175.300000113.3V137V137-G139 PolarHBondContact O-N 3.3Å
140E92.1Very high92.7Very high90 Ų9077.9 Ų77.942%0.42141%0.413SS..  trans-92.1115.6177.6-159.8143.6-175.700110.9N62 P88 L136 V137N62-E140 VanDerWaalsContact CG-O 3.25Å; N62-E140 PolarHBondContact OD1-O 2.96Å; P88-E140 WeakPolarHBondContact CG-OE2 3.42Å; L136-E140 HydrophobicContact CB-CB 4.32Å; L136-E140 HydrophobicContact CD1-CG 4.32Å; V137-E140 PolarHBondContact O-N 3.23Å; V137-E140 VanDerWaalsContact O-N 3.09Å
141V93.2Very high91.4Very high94 Ų9482.4 Ų82.457%0.5743%0.433SS*.  trans-103.9127.1-179.3171.90000108.7P61 V143P61-V141 HydrophobicContact CB-CB 4.47Å; P61-V141 HydrophobicContact CB-CG1 3.77Å; P61-V141 HydrophobicContact CB-CG2 4.28Å; V141-V143 HydrophobicContact CG1-CG2 4.3Å
142F92.7Very high89.5Confident51 Ų5192.3 Ų92.322%0.22447%0.469CS..  trans-111.2123.4175.7178-98.8000110.2M52 P61 V64 L136 F144M52-F142 HydrophobicContact CE-CE2 4.07Å; M52-F142 HydrophobicContact CE-CZ 3.91Å; M52-F142 HydrophobicContact SD-CE1 4.23Å; M52-F142 HydrophobicContact SD-CE2 4.1Å; M52-F142 HydrophobicContact SD-CZ 3.41Å; M52-F142 WeakPolarHBondContact SD-CZ 3.21Å; P61-F142 PolarHBondContact O-N 3.16Å; V64-F142 HydrophobicContact CB-CD1 4.39Å; V64-F142 HydrophobicContact CG1-CD1 4.22Å; V64-F142 HydrophobicContact CG1-CE1 4.05Å; V64-F142 HydrophobicContact CG1-CZ 4.47Å; V64-F142 HydrophobicContact CG2-CB 3.89Å; V64-F142 HydrophobicContact CG2-CD1 3.64Å; V64-F142 HydrophobicContact CG2-CD2 4.35Å; V64-F142 HydrophobicContact CG2-CE1 4.3Å; V64-F142 HydrophobicContact CG2-CG 3.67Å; L136-F142 HydrophobicContact CD1-CB 3.87Å; F142-F144 HydrophobicContact CE1-CB 4.22Å; F142-F144 HydrophobicContact CE1-CD2 4.31Å; F142-F144 HydrophobicContact CZ-CD2 4.31Å
143V92.4Very high87.6Confident116 Ų11695.3 Ų95.370%0.70349%0.489SS*.  trans-113.9126.5170.1-179.30000107.5V141 P145V141-V143 HydrophobicContact CG1-CG2 4.3Å; V143-P145 WeakPolarHBondContact O-CD 2.98Å
144F93.4Very high85.9Confident52 Ų5294.6 Ų94.623%0.22850%0.497CS..  trans-63.8121.8178.7-171-92.4000109.4M52 Y54 P55 F142 L147M52-F144 HydrophobicContact CG-CD2 4.4Å; M52-F144 HydrophobicContact CG-CE2 4.08Å; M52-F144 HydrophobicContact SD-CD2 4.21Å; M52-F144 HydrophobicContact SD-CE2 4.13Å; Y54-F144 HydrophobicContact CD2-CB 4.03Å; Y54-F144 AromaticContact CD2-CD1 3.75Å; Y54-F144 HydrophobicContact CD2-CD1 3.75Å; Y54-F144 HydrophobicContact CD2-CE1 4.39Å; Y54-F144 AromaticContact CD2-CG 3.89Å; Y54-F144 HydrophobicContact CD2-CG 3.89Å; Y54-F144 HydrophobicContact CE2-CB 4.4Å; P55-F144 HydrophobicContact CG-CB 4.46Å; F142-F144 HydrophobicContact CE1-CB 4.22Å; F142-F144 HydrophobicContact CE1-CD2 4.31Å; F142-F144 HydrophobicContact CZ-CD2 4.31Å; F144-L147 HydrophobicContact CE1-CD1 4.24Å; F144-L147 HydrophobicContact CE1-CG 4.3Å; F144-L147 HydrophobicContact CZ-CD1 4.02Å; F144-L147 HydrophobicContact CZ-CG 4.45Å
145P92.3Very high84.2Confident67 Ų67100.2 Ų100.244%0.43553%0.527SS..  trans-69.5143.8-177.928.7-34.2000110.2V143 L147V143-P145 WeakPolarHBondContact O-CD 2.98Å; P145-L147 HydrophobicContact CG-CD2 4.17Å; P145-L147 PolarHBondContact O-N 2.9Å
146D91.2Very high82.6Confident93 Ų9396.9 Ų96.950%0.49753%0.528SS..  trans-75.6108.2169.2-179.34.1000109.3F148 K149D146-F148 PolarHBondContact O-N 3.33Å; D146-F148 PolarHBondContact OD1-N 3.43Å; D146-F148 VanDerWaalsContact OD1-N 3.14Å; D146-K149 HydrophobicContact CB-CD 4.07Å; D146-K149 HydrophobicContact CB-CG 3.76Å; D146-K149 WeakPolarHBondContact OD2-CG 3.17Å
147L89.2Confident81.1Confident94 Ų9499.5 Ų99.549%0.49254%0.544SS..THydrogen-bonded Turntrans-75.3-7-173.7-59.7176.2000113.5F144 P145 K151F144-L147 HydrophobicContact CE1-CD1 4.24Å; F144-L147 HydrophobicContact CE1-CG 4.3Å; F144-L147 HydrophobicContact CZ-CD1 4.02Å; F144-L147 HydrophobicContact CZ-CG 4.45Å; P145-L147 HydrophobicContact CG-CD2 4.17Å; P145-L147 PolarHBondContact O-N 2.9Å; L147-K151 WeakPolarHBondContact O-CD 3.03Å; L147-K151 VanDerWaalsContact O-CE 3.28Å; L147-K151 WeakPolarHBondContact O-CE 3.36Å; L147-K151 PolarHBondContact O-NZ 3.28Å
148F87Confident79.5Confident142 Ų142100.3 Ų100.362%0.62355%0.546SS*.THydrogen-bonded Turntrans-120.86.5-169.8-57.8-78.2000114.3D146 D150 K151D146-F148 PolarHBondContact O-N 3.33Å; D146-F148 PolarHBondContact OD1-N 3.43Å; D146-F148 VanDerWaalsContact OD1-N 3.14Å; F148-D150 VanDerWaalsContact C-N 3.29Å; F148-D150 PolarHBondContact O-N 3.11Å; F148-K151 HydrophobicContact CD1-CD 3.81Å; F148-K151 HydrophobicContact CE1-CD 4.27Å; F148-K151 PolarHBondContact O-N 3.12Å
149K84.8Confident78.1Confident157 Ų157101.1 Ų101.168%0.68354%0.543SS*.THydrogen-bonded Turntrans-50.8-45.7178.8-69.9179.2164.2175.30113.8D146D146-K149 HydrophobicContact CB-CD 4.07Å; D146-K149 HydrophobicContact CB-CG 3.76Å; D146-K149 WeakPolarHBondContact OD2-CG 3.17Å
150D79.8Confident76.7Confident160 Ų160104 Ų10486%0.85654%0.541SS*.THydrogen-bonded Turntrans-107.60.2-172.1-50.8-40.8000112.9F148 R152F148-D150 VanDerWaalsContact C-N 3.29Å; F148-D150 PolarHBondContact O-N 3.11Å; D150-R152 PolarHBondContact O-N 3.17Å
151K69.2Low75.3Confident133 Ų133103.6 Ų103.658%0.57854%0.541SS*.  trans-82.6115.1-178-70.3-176.8-176.8172.40108.8L147 F148L147-K151 WeakPolarHBondContact O-CD 3.03Å; L147-K151 VanDerWaalsContact O-CE 3.28Å; L147-K151 WeakPolarHBondContact O-CE 3.36Å; L147-K151 PolarHBondContact O-NZ 3.28Å; F148-K151 HydrophobicContact CD1-CD 3.81Å; F148-K151 HydrophobicContact CE1-CD 4.27Å; F148-K151 PolarHBondContact O-N 3.12Å
152R57.4Low73.6Confident218 Ų218102.5 Ų102.582%0.82355%0.549SS*.PPolyproline II helixtrans-51130.4164.4-72-170.6-89.6178.3-5.3108.2D150 S154D150-R152 PolarHBondContact O-N 3.17Å; R152-S154 PolarHBondContact O-N 3.34Å; R152-S154 VanDerWaalsContact O-N 3.13Å
153P56.9Low71.5Confident63 Ų63102.4 Ų102.441%0.40956%0.563SS.*PPolyproline II helixtrans-51.9127.9169.5-16.228.7000106D155 D158P153-D155 PolarHBondContact O-N 2.9Å; P153-D155 VanDerWaalsContact O-N 3.14Å; P153-D158 VanDerWaalsContact CB-CG 3.43Å; P153-D158 VanDerWaalsContact CB-OD1 3.26Å; P153-D158 WeakPolarHBondContact CB-OD1 3.35Å; P153-D158 WeakPolarHBondContact CB-OD2 3.39Å; P153-D158 VanDerWaalsContact CD-OD2 3.29Å; P153-D158 WeakPolarHBondContact CD-OD2 3.37Å; P153-D158 VanDerWaalsContact CG-OD1 3.26Å; P153-D158 WeakPolarHBondContact CG-OD1 3.49Å; P153-D158 WeakPolarHBondContact CG-OD2 3.28Å
154S61.9Low69.4Low77 Ų77100.3 Ų100.354%0.53855%0.547SS..PPolyproline II helixtrans-46.8129.7176.1460000107.7R152 A156 V157R152-S154 PolarHBondContact O-N 3.34Å; R152-S154 VanDerWaalsContact O-N 3.13Å; S154-A156 CarbonylContact O-C 3.53Å; S154-A156 PolarHBondContact O-N 3.42Å; S154-V157 PolarHBondContact O-N 3.04Å; S154-V157 WeakPolarHBondContact OG-CG2 3.08Å
155D60.8Low67.5Low117 Ų117100.1 Ų100.163%0.62656%0.555SS**Hα-helixtrans-45.2-30-169.9-59.5-48.4000112.5P153 V157 D158 I159P153-D155 PolarHBondContact O-N 2.9Å; P153-D155 VanDerWaalsContact O-N 3.14Å; D155-V157 PolarHBondContact O-N 3.28Å; D155-D158 PolarHBondContact O-N 3.38Å; D155-I159 HydrophobicContact CB-CD1 4.11Å; D155-I159 WeakPolarHBondContact O-CB 3.18Å; D155-I159 WeakPolarHBondContact O-CD1 3.25Å; D155-I159 WeakPolarHBondContact O-CG1 3.38Å; D155-I159 PolarHBondContact O-N 2.72Å
156A64.9Low65.7Low61 Ų61100.2 Ų100.250%0.50456%0.562SS.*Hα-helixtrans-54.8-42171.400000115.7S154 L160S154-A156 CarbonylContact O-C 3.53Å; S154-A156 PolarHBondContact O-N 3.42Å; A156-L160 WeakPolarHBondContact O-CB 3.31Å; A156-L160 WeakPolarHBondContact O-CD1 3.48Å; A156-L160 WeakPolarHBondContact O-CG 3.18Å; A156-L160 PolarHBondContact O-N 2.8Å
157V64.7Low63.9Low66 Ų66102 Ų10240%0.457%0.565SS.*Hα-helixtrans-79.3-33.8-177.9-163.90000110.7S154 D155 L160 N161S154-V157 PolarHBondContact O-N 3.04Å; S154-V157 WeakPolarHBondContact OG-CG2 3.08Å; D155-V157 PolarHBondContact O-N 3.28Å; V157-L160 PolarHBondContact O-N 2.91Å; V157-N161 WeakPolarHBondContact O-CB 3.38Å; V157-N161 VanDerWaalsContact O-CG 3.24Å; V157-N161 PolarHBondContact O-N 2.81Å; V157-N161 PolarHBondContact O-ND2 2.95Å
158D62.2Low62.2Low73 Ų7399.8 Ų99.839%0.3956%0.558SS.*Hα-helixtrans-78.2-23.4172.7-77.3-12.7000113.1P153 D155 G162P153-D158 VanDerWaalsContact CB-CG 3.43Å; P153-D158 VanDerWaalsContact CB-OD1 3.26Å; P153-D158 WeakPolarHBondContact CB-OD1 3.35Å; P153-D158 WeakPolarHBondContact CB-OD2 3.39Å; P153-D158 VanDerWaalsContact CD-OD2 3.29Å; P153-D158 WeakPolarHBondContact CD-OD2 3.37Å; P153-D158 VanDerWaalsContact CG-OD1 3.26Å; P153-D158 WeakPolarHBondContact CG-OD1 3.49Å; P153-D158 WeakPolarHBondContact CG-OD2 3.28Å; D155-D158 PolarHBondContact O-N 3.38Å; D158-G162 WeakPolarHBondContact O-CA 3.36Å; D158-G162 PolarHBondContact O-N 3.47Å
159I63.1Low60.8Low125 Ų125100.1 Ų100.164%0.64156%0.561SS**Hα-helixtrans-73.1-39.5168.2-71.2162.1000109.7D155 G163D155-I159 HydrophobicContact CB-CD1 4.11Å; D155-I159 WeakPolarHBondContact O-CB 3.18Å; D155-I159 WeakPolarHBondContact O-CD1 3.25Å; D155-I159 WeakPolarHBondContact O-CG1 3.38Å; D155-I159 PolarHBondContact O-N 2.72Å; I159-G163 PolarHBondContact O-N 3.47Å
160L62.6Low59.5Low136 Ų13698.3 Ų98.371%0.71256%0.555SS**Hα-helixtrans-70.1-38.5174.9-71.6169.7000112.5A156 V157A156-L160 WeakPolarHBondContact O-CB 3.31Å; A156-L160 WeakPolarHBondContact O-CD1 3.48Å; A156-L160 WeakPolarHBondContact O-CG 3.18Å; A156-L160 PolarHBondContact O-N 2.8Å; V157-L160 PolarHBondContact O-N 2.91Å
161N62.1Low58.6Low80 Ų8093.1 Ų93.143%0.42853%0.534SS..Hα-helixtrans-85.2-36.3178.2-72.1-20.2000112.8V157 G163 D164 A165V157-N161 WeakPolarHBondContact O-CB 3.38Å; V157-N161 VanDerWaalsContact O-CG 3.24Å; V157-N161 PolarHBondContact O-N 2.81Å; V157-N161 PolarHBondContact O-ND2 2.95Å; N161-G163 VanDerWaalsContact C-N 3.25Å; N161-G163 PolarHBondContact O-N 3.1Å; N161-D164 PolarHBondContact O-N 3.4Å; N161-A165 WeakPolarHBondContact O-CA 3.13Å; N161-A165 WeakPolarHBondContact O-CB 3.21Å; N161-A165 PolarHBondContact O-N 3.4Å
162G56.9Low58.2Low71 Ų7192.5 Ų92.573%0.73254%0.536SS*.Hα-helixtrans-73.9-14.1-178.400000114D158D158-G162 WeakPolarHBondContact O-CA 3.36Å; D158-G162 PolarHBondContact O-N 3.47Å
163G49.3Very low58.5Low50 Ų5084.1 Ų84.152%0.51551%0.511SS..THydrogen-bonded Turntrans-76.7-34.2169.400000113.7I159 N161I159-G163 PolarHBondContact O-N 3.47Å; N161-G163 VanDerWaalsContact C-N 3.25Å; N161-G163 PolarHBondContact O-N 3.1Å
164D48Very low58.9Low72 Ų7285.1 Ų85.139%0.38551%0.513SS..THydrogen-bonded Turntrans-16432.7-163.5-82.5-43.6000113.8N161 A166 K167 S168N161-D164 PolarHBondContact O-N 3.4Å; D164-A166 VanDerWaalsContact C-N 3.25Å; D164-A166 PolarHBondContact O-N 2.86Å; D164-K167 HydrophobicContact CB-CB 3.99Å; D164-K167 CarbonylContact O-C 3.42Å; D164-K167 PolarHBondContact O-N 3.2Å; D164-K167 WeakPolarHBondContact OD1-CB 3.2Å; D164-K167 WeakPolarHBondContact OD1-CD 3.32Å; D164-K167 WeakPolarHBondContact OD1-CE 3.47Å; D164-K167 VanDerWaalsContact OD1-CG 3.25Å; D164-K167 WeakPolarHBondContact OD1-CG 3.47Å; D164-K167 IonicContact OD1-NZ 2.9Å; D164-K167 PolarHBondContact OD1-NZ 2.98Å; D164-S168 VanDerWaalsContact O-CB 3.28Å; D164-S168 WeakPolarHBondContact O-CB 3.2Å; D164-S168 PolarHBondContact O-N 2.93Å; D164-S168 PolarHBondContact O-OG 3.18Å
165A53.8Low58.9Low48 Ų4886.2 Ų86.240%0.39751%0.513SS..Hα-helixtrans-61.8-34.617600000112.3N161 S168 Q169N161-A165 WeakPolarHBondContact O-CA 3.13Å; N161-A165 WeakPolarHBondContact O-CB 3.21Å; N161-A165 PolarHBondContact O-N 3.4Å; A165-S168 WeakPolarHBondContact CA-OG 3.09Å; A165-S168 PolarHBondContact O-OG 2.89Å; A165-Q169 WeakPolarHBondContact O-CG 3.48Å; A165-Q169 PolarHBondContact O-N 3.15Å
166A53.2Low59.1Low69 Ų6983.7 Ų83.757%0.5750%0.504SS*.Hα-helixtrans-70.3-43.2171.900000111.8D164 E170D164-A166 VanDerWaalsContact C-N 3.25Å; D164-A166 PolarHBondContact O-N 2.86Å; A166-E170 WeakPolarHBondContact O-CB 3.26Å; A166-E170 WeakPolarHBondContact O-CG 3.45Å; A166-E170 PolarHBondContact O-N 3.39Å
167K53.2Low59.2Low130 Ų13085.8 Ų85.857%0.56550%0.502SS*.Hα-helixtrans-73.7-26.8179.4-62.2-156.1-158.5106.10113.9D164 A171D164-K167 HydrophobicContact CB-CB 3.99Å; D164-K167 CarbonylContact O-C 3.42Å; D164-K167 PolarHBondContact O-N 3.2Å; D164-K167 WeakPolarHBondContact OD1-CB 3.2Å; D164-K167 WeakPolarHBondContact OD1-CD 3.32Å; D164-K167 WeakPolarHBondContact OD1-CE 3.47Å; D164-K167 VanDerWaalsContact OD1-CG 3.25Å; D164-K167 WeakPolarHBondContact OD1-CG 3.47Å; D164-K167 IonicContact OD1-NZ 2.9Å; D164-K167 PolarHBondContact OD1-NZ 2.98Å; K167-A171 WeakPolarHBondContact O-CA 3.3Å; K167-A171 WeakPolarHBondContact O-CB 3.45Å; K167-A171 PolarHBondContact O-N 3.4Å
168S54.1Low58.9Low48 Ų4890.7 Ų90.734%0.33651%0.513SS..Hα-helixtrans-79.8-36.1177.852.10000111.4D164 A165 I172D164-S168 VanDerWaalsContact O-CB 3.28Å; D164-S168 WeakPolarHBondContact O-CB 3.2Å; D164-S168 PolarHBondContact O-N 2.93Å; D164-S168 PolarHBondContact O-OG 3.18Å; A165-S168 WeakPolarHBondContact CA-OG 3.09Å; A165-S168 PolarHBondContact O-OG 2.89Å; S168-I172 VanDerWaalsContact O-CB 3.26Å; S168-I172 WeakPolarHBondContact O-CB 3.44Å; S168-I172 VanDerWaalsContact O-CD1 3.28Å; S168-I172 WeakPolarHBondContact O-CD1 2.97Å; S168-I172 WeakPolarHBondContact O-CG1 3.42Å; S168-I172 PolarHBondContact O-N 3.39Å
169Q58.5Low59Low149 Ų14992 Ų9270%0.69652%0.523SS*.Hα-helixtrans-67.8-40.9168.8-73-172.5-18.400111.9A165 S173A165-Q169 WeakPolarHBondContact O-CG 3.48Å; A165-Q169 PolarHBondContact O-N 3.15Å; Q169-S173 VanDerWaalsContact O-CB 3.3Å; Q169-S173 WeakPolarHBondContact O-CB 3.46Å; Q169-S173 PolarHBondContact O-N 3.07Å; Q169-S173 PolarHBondContact O-OG 2.93Å
170E57.4Low58.9Low118 Ų11892.1 Ų92.155%0.55152%0.521SS*.Hα-helixtrans-64.6-45.4172.6-75.6176.9168.600111.5A166 I172 S173 D174A166-E170 WeakPolarHBondContact O-CB 3.26Å; A166-E170 WeakPolarHBondContact O-CG 3.45Å; A166-E170 PolarHBondContact O-N 3.39Å; E170-I172 PolarHBondContact O-N 3.11Å; E170-S173 CarbonylContact O-C 3.5Å; E170-S173 PolarHBondContact O-N 3.22Å; E170-S173 VanDerWaalsContact O-N 3.16Å; E170-S173 PolarHBondContact O-OG 3.07Å; E170-D174 WeakPolarHBondContact O-CB 3.27Å; E170-D174 VanDerWaalsContact O-CG 3.28Å; E170-D174 PolarHBondContact O-N 3.05Å
171A59.7Low58.9Low51 Ų5192 Ų9242%0.42152%0.521SS..Hα-helixtrans-66-37.8177.900000113K167 S173 D174 D175K167-A171 WeakPolarHBondContact O-CA 3.3Å; K167-A171 WeakPolarHBondContact O-CB 3.45Å; K167-A171 PolarHBondContact O-N 3.4Å; A171-S173 VanDerWaalsContact C-N 3.33Å; A171-D174 PolarHBondContact O-N 3.48Å; A171-D175 VanDerWaalsContact O-CB 3.31Å; A171-D175 WeakPolarHBondContact O-CB 3.13Å; A171-D175 PolarHBondContact O-N 2.86Å
172I61.4Low58.9Low120 Ų12094.1 Ų94.162%0.61553%0.533SS*.Hα-helixtrans-66.8-38.5172.9-69.2162.5000109.9S168 E170 S176S168-I172 VanDerWaalsContact O-CB 3.26Å; S168-I172 WeakPolarHBondContact O-CB 3.44Å; S168-I172 VanDerWaalsContact O-CD1 3.28Å; S168-I172 WeakPolarHBondContact O-CD1 2.97Å; S168-I172 WeakPolarHBondContact O-CG1 3.42Å; S168-I172 PolarHBondContact O-N 3.39Å; E170-I172 PolarHBondContact O-N 3.11Å; I172-S176 WeakPolarHBondContact O-CB 3.27Å; I172-S176 PolarHBondContact O-N 2.73Å; I172-S176 PolarHBondContact O-OG 3.33Å
173S64.4Low59Low43 Ų4398 Ų9830%0.30153%0.529SS..Hα-helixtrans-69.3-33.5175.883.30000112.8Q169 E170 A171 S176 K177Q169-S173 VanDerWaalsContact O-CB 3.3Å; Q169-S173 WeakPolarHBondContact O-CB 3.46Å; Q169-S173 PolarHBondContact O-N 3.07Å; Q169-S173 PolarHBondContact O-OG 2.93Å; E170-S173 CarbonylContact O-C 3.5Å; E170-S173 PolarHBondContact O-N 3.22Å; E170-S173 VanDerWaalsContact O-N 3.16Å; E170-S173 PolarHBondContact O-OG 3.07Å; A171-S173 VanDerWaalsContact C-N 3.33Å; S173-S176 VanDerWaalsContact CA-OG 3.28Å; S173-S176 WeakPolarHBondContact CA-OG 3.48Å; S173-S176 PolarHBondContact O-OG 3.45Å; S173-K177 VanDerWaalsContact O-CG 3.23Å; S173-K177 WeakPolarHBondContact O-CG 3.07Å; S173-K177 PolarHBondContact O-N 3.43Å; S173-K177 VanDerWaalsContact O-N 3.1Å
174D64.6Low59.4Low84 Ų84103.4 Ų103.445%0.44955%0.546SS..Hα-helixtrans-83-35.1-179.7-73.2-18.1000111.6E170 A171 K177 R178E170-D174 WeakPolarHBondContact O-CB 3.27Å; E170-D174 VanDerWaalsContact O-CG 3.28Å; E170-D174 PolarHBondContact O-N 3.05Å; A171-D174 PolarHBondContact O-N 3.48Å; D174-K177 PolarHBondContact O-N 3.11Å; D174-K177 IonicContact OD1-NZ 2.91Å; D174-K177 PolarHBondContact OD1-NZ 2.82Å; D174-R178 VanDerWaalsContact O-CB 3.24Å; D174-R178 WeakPolarHBondContact O-CB 3.46Å; D174-R178 PolarHBondContact O-N 3.29Å
175D62.6Low60Low100 Ų100108.5 Ų108.554%0.53557%0.567SS.*Hα-helixtrans-65.7-38.8168.9-98.6-12.3000111.4A171 R178 V179A171-D175 VanDerWaalsContact O-CB 3.31Å; A171-D175 WeakPolarHBondContact O-CB 3.13Å; A171-D175 PolarHBondContact O-N 2.86Å; D175-R178 PolarHBondContact O-N 2.99Å; D175-V179 WeakPolarHBondContact O-CB 2.95Å; D175-V179 VanDerWaalsContact O-CG2 3.22Å; D175-V179 WeakPolarHBondContact O-CG2 3.24Å; D175-V179 PolarHBondContact O-N 3.39Å
176S63.6Low60.3Low64 Ų64110.4 Ų110.445%0.44858%0.576SS.*Hα-helixtrans-65.3-40174.340.50000112.2I172 S173 E180I172-S176 WeakPolarHBondContact O-CB 3.27Å; I172-S176 PolarHBondContact O-N 2.73Å; I172-S176 PolarHBondContact O-OG 3.33Å; S173-S176 VanDerWaalsContact CA-OG 3.28Å; S173-S176 WeakPolarHBondContact CA-OG 3.48Å; S173-S176 PolarHBondContact O-OG 3.45Å; S176-E180 WeakPolarHBondContact O-CG 3.35Å; S176-E180 PolarHBondContact O-N 2.91Å
177K66.8Low60.5Low105 Ų105114.5 Ų114.546%0.45759%0.587SS.*Hα-helixtrans-64.4-36.6169.8-69.4168-157.3154.50112.7S173 D174 E180 N181S173-K177 VanDerWaalsContact O-CG 3.23Å; S173-K177 WeakPolarHBondContact O-CG 3.07Å; S173-K177 PolarHBondContact O-N 3.43Å; S173-K177 VanDerWaalsContact O-N 3.1Å; D174-K177 PolarHBondContact O-N 3.11Å; D174-K177 IonicContact OD1-NZ 2.91Å; D174-K177 PolarHBondContact OD1-NZ 2.82Å; K177-E180 PolarHBondContact O-N 3.42Å; K177-N181 WeakPolarHBondContact O-CB 3.18Å; K177-N181 PolarHBondContact O-N 2.93Å; K177-N181 PolarHBondContact O-ND2 3.3Å; K177-N181 VanDerWaalsContact O-ND2 3.14Å
178R60.2Low61.1Low169 Ų169119 Ų11964%0.63861%0.607SS**Hα-helixtrans-72.4-36.2-179.7-151.3174.5-166.8165.53.5111.9D174 D175 N181 N182D174-R178 VanDerWaalsContact O-CB 3.24Å; D174-R178 WeakPolarHBondContact O-CB 3.46Å; D174-R178 PolarHBondContact O-N 3.29Å; D175-R178 PolarHBondContact O-N 2.99Å; R178-N181 PolarHBondContact O-N 3.07Å; R178-N182 VanDerWaalsContact O-CB 3.27Å; R178-N182 WeakPolarHBondContact O-CB 3.34Å; R178-N182 PolarHBondContact O-N 3.4Å
179V62.5Low61.8Low99 Ų99120.8 Ų120.860%0.663%0.633SS**Hα-helixtrans-67.6-37.7171.2171.30000110.9D175 N182 K183D175-V179 WeakPolarHBondContact O-CB 2.95Å; D175-V179 VanDerWaalsContact O-CG2 3.22Å; D175-V179 WeakPolarHBondContact O-CG2 3.24Å; D175-V179 PolarHBondContact O-N 3.39Å; V179-N182 PolarHBondContact O-N 2.91Å; V179-K183 PolarHBondContact O-N 3.24Å
180E62.6Low61.9Low128 Ų128117.2 Ų117.260%0.59862%0.624SS**Hα-helixtrans-63.8-41171.3-79.9-174.8155.800112.5S176 K177 K183S176-E180 WeakPolarHBondContact O-CG 3.35Å; S176-E180 PolarHBondContact O-N 2.91Å; K177-E180 PolarHBondContact O-N 3.42Å; E180-K183 PolarHBondContact O-N 3.05Å
181N62.5Low62.3Low133 Ų133115 Ų11571%0.71162%0.621SS**Hα-helixtrans-73.6-25177.5-70.1-29.8000113.6K177 R178 K183K177-N181 WeakPolarHBondContact O-CB 3.18Å; K177-N181 PolarHBondContact O-N 2.93Å; K177-N181 PolarHBondContact O-ND2 3.3Å; K177-N181 VanDerWaalsContact O-ND2 3.14Å; R178-N181 PolarHBondContact O-N 3.07Å; N181-K183 VanDerWaalsContact C-N 3.33Å
182N60.8Low62.5Low125 Ų125121.5 Ų121.567%0.66864%0.64SS**THydrogen-bonded Turntrans-87.75.7175.5-80.6-19.5000113.7R178 V179 L184R178-N182 VanDerWaalsContact O-CB 3.27Å; R178-N182 WeakPolarHBondContact O-CB 3.34Å; R178-N182 PolarHBondContact O-N 3.4Å; V179-N182 PolarHBondContact O-N 2.91Å; N182-L184 PolarHBondContact O-N 2.98Å
183K59.7Low62.8Low152 Ų152126.5 Ų126.566%0.66165%0.651SS**SBendtrans-59.5112162.6-80.1176.6178.4170.30107.8V179 E180 N181 Q185V179-K183 PolarHBondContact O-N 3.24Å; E180-K183 PolarHBondContact O-N 3.05Å; N181-K183 VanDerWaalsContact C-N 3.33Å; K183-Q185 PolarHBondContact O-N 3.4Å
184L58Low62.8Low164 Ų164132 Ų13286%0.85967%0.67SS**PPolyproline II helixtrans-47.4124.7176.4-70.2165.5000108.5N182N182-L184 PolarHBondContact O-N 2.98Å
185Q60.9Low62.6Low179 Ų179130.8 Ų130.884%0.83667%0.672SS**PPolyproline II helixtrans-55.9129.3173.9-68.5-172.4-500107.7K183 L187K183-Q185 PolarHBondContact O-N 3.4Å; Q185-L187 PolarHBondContact O-N 3.39Å
186P59.4Low62.4Low89 Ų89134.2 Ų134.258%0.57870%0.704SS**PPolyproline II helixtrans-57.3131.817922.3-31.3000108.6K188 A195P186-K188 PolarHBondContact O-N 2.94Å; P186-K188 VanDerWaalsContact O-N 3.16Å; P186-A195 HydrophobicContact CB-CB 4.19Å
187L58.4Low62.3Low155 Ų155137.8 Ų137.881%0.81272%0.716SS**PPolyproline II helixtrans-50.2124.3176.8-72.4165.8000108.8Q185 G189 C190Q185-L187 PolarHBondContact O-N 3.39Å; L187-G189 PolarHBondContact O-N 2.62Å; L187-C190 PolarHBondContact O-N 2.7Å; L187-C190 VanDerWaalsContact O-N 3.15Å
188K65Low62.1Low223 Ų223139.5 Ų139.597%0.9773%0.73SS**THydrogen-bonded Turntrans-53.3112.7-177.1-80.5-177.9176.4176.90109.5P186P186-K188 PolarHBondContact O-N 2.94Å; P186-K188 VanDerWaalsContact O-N 3.16Å
189G68.7Low62.2Low87 Ų87137.8 Ų137.890%0.89774%0.735SS**THydrogen-bonded Turntrans116.8-6.7177.900000116.2L187L187-G189 PolarHBondContact O-N 2.62Å
190C61.3Low62.2Low74 Ų74140.1 Ų140.150%0.574%0.743SS.*  trans-94138.9178.3-153.30000112.8L187L187-C190 PolarHBondContact O-N 2.7Å; L187-C190 VanDerWaalsContact O-N 3.15Å
191S64.8Low62.1Low70 Ų70140.9 Ų140.949%0.4975%0.752SS.*  trans-69.9149.8179.975.50000112.4W193 F194S191-W193 PolarHBondContact O-N 3.39Å; S191-F194 PolarHBondContact O-N 2.7Å; S191-F194 VanDerWaalsContact O-N 3.1Å
192K63.9Low62.1Low189 Ų189141.4 Ų141.482%0.82276%0.755SS**G310 helixtrans-59.3-21.5-173.3-159.6170.9-176.1172.80114.5F194K192-F194 VanDerWaalsContact C-N 3.34Å
193W68.8Low62.2Low225 Ų225142.6 Ų142.685%0.85276%0.761SS**G310 helixtrans-67.1-30177.3-175.2-88.5000113.6S191S191-W193 PolarHBondContact O-N 3.39Å
194F62.7Low62.4Low158 Ų158141.8 Ų141.869%0.69377%0.769SS**G310 helixtrans-97.12.6-177.4-72.7-79.7000113.9S191 K192S191-F194 PolarHBondContact O-N 2.7Å; S191-F194 VanDerWaalsContact O-N 3.1Å; K192-F194 VanDerWaalsContact C-N 3.34Å
195A61.6Low62.8Low58 Ų58140 Ų14048%0.47976%0.762SS.*  trans-119.119.5-17200000113.7P186P186-A195 HydrophobicContact CB-CB 4.19Å
196S57.9Low62.9Low173 Ų173136.5 Ų136.5100%1.2176%0.755SS**  trans-109.50175.5-62.40000111.9

Retrieved 196 of 196 residues in 115.8 ms (Link to these results)