A0A060D314_MAIZE Loading...

Acyl-CoA N-acyltransferase (NAT) superfamily protein

AlphaFold DB , UniProt , Accession A0A060D314, Species MAIZE (Zea mays, Maize), Gene GNAT27, Length 195 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
1M44.5Very low39.2Very low239 Ų239164.4 Ų164.4100%1.17787%0.869SS**  092.60-127.7171.795.300106.2
2E33.4Very low39.5Very low200 Ų200157.9 Ų157.994%0.93586%0.856SS**  trans-76.5126-174.2-81.8173.412900110.8
3V36.7Very low39.8Very low131 Ų131155.4 Ų155.479%0.79485%0.853SS**  trans-90.1110175.9-178.60000107.6V5V3-V5 PolarHBondContact O-N 3.37Å
4Q34.2Very low40.6Very low184 Ų184151.1 Ų151.186%0.8685%0.848SS**  trans-72.4112.6170.6-79.5-174.3-22.600109.9Q6Q4-Q6 PolarHBondContact O-N 2.73Å
5V39.6Very low41.7Very low126 Ų126147.1 Ų147.176%0.76484%0.842SS**  trans-78106.3169.1177.50000108.2V3 Q7V3-V5 PolarHBondContact O-N 3.37Å; V5-Q7 PolarHBondContact O-N 2.68Å
6Q38.7Very low43Very low182 Ų182148.9 Ų148.985%0.8584%0.841SS**  trans-67.9113.7167-79.8179.2-8.400109.4Q4 R8Q4-Q6 PolarHBondContact O-N 2.73Å; Q6-R8 PolarHBondContact O-N 3.08Å
7Q38.5Very low44.7Very low187 Ų187143.5 Ų143.587%0.87481%0.809SS**  trans-68.3117167.3-66.5-155.90.500109.3V5 G9V5-Q7 PolarHBondContact O-N 2.68Å; Q7-G9 PolarHBondContact O-N 2.89Å
8R38.9Very low47.1Very low245 Ų245142.1 Ų142.193%0.92580%0.795SS**  trans-69.4113.4166.9-73.6-175.6-172.7-147.91108.2Q6Q6-R8 PolarHBondContact O-N 3.08Å
9G40.7Very low49.5Very low74 Ų74135.8 Ų135.876%0.76376%0.76SS**PPolyproline II helixtrans-56.7136.4169.300000110.9Q7Q7-G9 PolarHBondContact O-N 2.89Å
10S43.9Very low51.8Low116 Ų116130.9 Ų130.981%0.81174%0.735SS**PPolyproline II helixtrans-63.2142.4171.6-73.50000110.2A12S10-A12 PolarHBondContact O-N 2.93Å
11P42.5Very low54Low124 Ų124126.9 Ų126.981%0.80571%0.712SS**PPolyproline II helixtrans-64.2134.2175.727-31.6000109.6
12A42.1Very low56.4Low87 Ų87119 Ų11972%0.71967%0.669SS**PPolyproline II helixtrans-55.1143.5170.300000109.8S10 A14S10-A12 PolarHBondContact O-N 2.93Å; A12-A14 PolarHBondContact O-N 3.02Å
13P43.2Very low59.5Low125 Ų125115.3 Ų115.381%0.81265%0.652SS**PPolyproline II helixtrans-56129177.222.8-31.1000109A15P13-A15 PolarHBondContact O-N 2.96Å; P13-A15 VanDerWaalsContact O-N 3.08Å
14A51.3Low62.3Low95 Ų95109.5 Ų109.579%0.78562%0.616SS**PPolyproline II helixtrans-54.4119.8175.800000108.2A12 E16A12-A14 PolarHBondContact O-N 3.02Å; A14-E16 PolarHBondContact O-N 2.81Å; A14-E16 VanDerWaalsContact O-N 3.07Å
15A57.3Low65.3Low92 Ų92103.7 Ų103.776%0.7659%0.593SS**PPolyproline II helixtrans-48.5120.6179.100000109.2P13 L17P13-A15 PolarHBondContact O-N 2.96Å; P13-A15 VanDerWaalsContact O-N 3.08Å; A15-L17 PolarHBondContact O-N 3.16Å
16E62.6Low68Low175 Ų175101.8 Ų101.882%0.81858%0.577SS**PPolyproline II helixtrans-56.8118.5178.5-74.7-173.5169.500108.4A14 E18A14-E16 PolarHBondContact O-N 2.81Å; A14-E16 VanDerWaalsContact O-N 3.07Å; E16-E18 PolarHBondContact O-N 3.41Å; E16-E18 VanDerWaalsContact O-N 3.1Å
17L72Confident70.7Confident58 Ų5898 Ų9830%0.30457%0.57SS.*PPolyproline II helixtrans-52.7120.5-179.7-70.3157.6000109.2A15 V19 V75 R120A15-L17 PolarHBondContact O-N 3.16Å; L17-V19 PolarHBondContact O-N 3.11Å; L17-V75 HydrophobicContact CB-CG1 4.18Å; L17-V75 HydrophobicContact CD2-CG1 4.42Å; L17-R120 PolarHBondContact O-NH1 2.88Å; L17-R120 PolarHBondContact O-NH2 3.1Å
18E86.9Confident73.5Confident118 Ų11889.5 Ų89.555%0.55153%0.531SS*.EExtended strand (participates in β ladder)trans-65.7131.4177.3-163.4179.4158.400109.7E16 V75 L81E16-E18 PolarHBondContact O-N 3.41Å; E16-E18 VanDerWaalsContact O-N 3.1Å; E18-V75 WeakPolarHBondContact O-CA 3.44Å; E18-L81 HydrophobicContact CG-CD1 4.42Å
19V93.8Very high76.2Confident22 Ų2278 Ų7813%0.13349%0.488CS..EExtended strand (participates in β ladder)trans-119.6115.7174.9177.70000106.5L17 I73 C74 V75 I117 R120 A121L17-V19 PolarHBondContact O-N 3.11Å; V19-I73 HydrophobicContact CG1-CG2 4.29Å; V19-C74 WeakPolarHBondContact CA-O 3.19Å; V19-V75 HydrophobicContact CG1-CG2 4.49Å; V19-V75 HydrophobicContact CG2-CG2 3.98Å; V19-I117 HydrophobicContact CG2-CB 4.5Å; V19-I117 HydrophobicContact CG2-CG1 4.23Å; V19-I117 HydrophobicContact CG2-CG2 4.32Å; V19-R120 HydrophobicContact CB-CB 4.29Å; V19-R120 HydrophobicContact CG1-CB 4.29Å; V19-R120 HydrophobicContact CG2-CB 4.23Å; V19-A121 HydrophobicContact CG1-CB 4.34Å
20S95Very high78.9Confident38 Ų3880.1 Ų80.127%0.26648%0.478SS..EExtended strand (participates in β ladder)trans-124157.8177.862.90000111.2C74 L81S20-C74 PolarHBondContact N-O 2.52Å; S20-C74 PolarHBondContact O-N 2.85Å; S20-L81 VanDerWaalsContact OG-CD1 3.23Å; S20-L81 WeakPolarHBondContact OG-CD1 3.48Å
21L97.1Very high81.4Confident47 Ų4776.2 Ų76.225%0.24645%0.453CS..EExtended strand (participates in β ladder)trans-119.6129.3176.9-58.5-176.1000108.5W69 R71 A72 I73 I87 A121 A124 A125L21-W69 HydrophobicContact CD1-CH2 3.97Å; L21-R71 HydrophobicContact CB-CB 4.1Å; L21-R71 HydrophobicContact CB-CG 4.41Å; L21-A72 WeakPolarHBondContact CA-O 3.22Å; L21-I73 HydrophobicContact CD2-CB 4.42Å; L21-I73 HydrophobicContact CD2-CG1 3.95Å; L21-I87 HydrophobicContact CD1-CG2 4.18Å; L21-I87 HydrophobicContact CD2-CG2 3.79Å; L21-A121 HydrophobicContact CD2-CB 4.16Å; L21-A124 HydrophobicContact CD1-CB 3.9Å; L21-A124 HydrophobicContact CG-CB 4.41Å; L21-A125 HydrophobicContact CD1-CB 4.16Å
22R96.4Very high84Confident73 Ų7370.6 Ų70.628%0.27542%0.415SS..EExtended strand (participates in β ladder)trans-136.7165.5173.963.7164.8178.680.3-8.5111.3D28 R71 A72R22-D28 IonicContact CZ-OD1 3.29Å; R22-D28 IonicContact CZ-OD2 2.92Å; R22-D28 IonicContact NH1-OD1 2.73Å; R22-D28 PolarHBondContact NH1-OD1 2.9Å; R22-D28 IonicContact NH1-OD2 3.54Å; R22-D28 PolarHBondContact NH1-OD2 2.92Å; R22-D28 IonicContact NH2-OD1 2.75Å; R22-D28 PolarHBondContact NH2-OD1 2.76Å; R22-D28 IonicContact NH2-OD2 2.74Å; R22-R71 VanDerWaalsContact C-CD 3.48Å; R22-R71 CarbonylContact O-C 3.51Å; R22-R71 WeakPolarHBondContact O-CA 3.28Å; R22-R71 WeakPolarHBondContact O-CB 3.36Å; R22-R71 WeakPolarHBondContact O-CD 3.26Å; R22-A72 HydrophobicContact CG-CB 4.19Å; R22-A72 PolarHBondContact N-O 2.73Å; R22-A72 PolarHBondContact O-N 2.98Å
23E97.1Very high86.6Confident122 Ų12267.6 Ų67.657%0.5739%0.387SS*.EExtended strand (participates in β ladder)trans-61.9145.8172.1-58.8-160.8141.400110.9R71E23-R71 IonicContact OE1-CZ 3.69Å; E23-R71 IonicContact OE1-NH1 2.76Å; E23-R71 PolarHBondContact OE1-NH1 3.29Å; E23-R71 IonicContact OE1-NH2 3.83Å; E23-R71 PolarHBondContact OE1-NH2 3Å
24F96.2Very high89.1Confident10 Ų1064.4 Ų64.44%0.04437%0.368CS..  trans-73.7146170.8-95.5-82.8000109.7D28 F32 W35 I64 L65 Y70 R71 A72 V83F24-D28 WeakPolarHBondContact CA-OD2 3.44Å; F24-D28 HydrophobicContact CD1-CB 3.68Å; F24-D28 HydrophobicContact CE1-CB 3.96Å; F24-F32 HydrophobicContact CE1-CD2 4.01Å; F24-F32 HydrophobicContact CZ-CD2 4.25Å; F24-W35 HydrophobicContact CE1-CH2 4.35Å; F24-W35 HydrophobicContact CE1-CZ2 4.41Å; F24-W35 HydrophobicContact CZ-CH2 4.1Å; F24-W35 AromaticContact CZ-CZ2 3.98Å; F24-W35 HydrophobicContact CZ-CZ2 3.98Å; F24-I64 HydrophobicContact CB-CG2 3.49Å; F24-I64 VanDerWaalsContact CB-CG2 3.49Å; F24-I64 HydrophobicContact CD1-CD1 4.42Å; F24-I64 HydrophobicContact CD2-CD1 4.38Å; F24-I64 HydrophobicContact CD2-CG2 3.61Å; F24-I64 HydrophobicContact CE2-CD1 4.47Å; F24-I64 HydrophobicContact CG-CD1 4.36Å; F24-I64 HydrophobicContact CG-CG2 3.67Å; F24-L65 VanDerWaalsContact O-CD2 3.31Å; F24-L65 WeakPolarHBondContact O-CD2 3.42Å; F24-Y70 AromaticContact CD2-CD1 3.86Å; F24-Y70 HydrophobicContact CD2-CD1 3.86Å; F24-Y70 HydrophobicContact CD2-CE1 4.22Å; F24-Y70 AromaticContact CE2-CD1 3.89Å; F24-Y70 HydrophobicContact CE2-CD1 3.89Å; F24-Y70 AromaticContact CE2-CE1 3.87Å; F24-Y70 HydrophobicContact CE2-CE1 3.87Å; F24-R71 VanDerWaalsContact CE2-O 3.31Å; F24-R71 WeakPolarHBondContact CE2-O 3.23Å; F24-A72 HydrophobicContact CD1-CB 4.29Å; F24-A72 HydrophobicContact CD2-CB 3.98Å; F24-A72 VanDerWaalsContact CD2-N 3.32Å; F24-A72 HydrophobicContact CE1-CB 4.1Å; F24-A72 HydrophobicContact CE2-CB 3.8Å; F24-A72 VanDerWaalsContact CE2-N 3.25Å; F24-A72 HydrophobicContact CG-CB 4.22Å; F24-A72 HydrophobicContact CZ-CB 3.83Å; F24-V83 HydrophobicContact CE1-CG1 4.37Å; F24-V83 HydrophobicContact CZ-CG1 4.38Å
25T96.4Very high91.2Very high61 Ų6160 Ų6037%0.37433%0.331SS..  trans-123.8167.2169.168.90000109.8S27 D28T25-S27 PolarHBondContact O-N 2.81Å; T25-S27 PolarHBondContact OG1-N 3.31Å; T25-S27 PolarHBondContact OG1-OG 3.41Å; T25-D28 PolarHBondContact N-OD2 3.32Å; T25-D28 WeakPolarHBondContact O-CB 3.49Å; T25-D28 PolarHBondContact O-N 3.3Å; T25-D28 VanDerWaalsContact O-N 3.1Å; T25-D28 PolarHBondContact OG1-OD2 3.48Å
26M96.8Very high93.1Very high87 Ų8755.9 Ų55.943%0.42930%0.297SS..G310 helixtrans-61.9-24.2175.4-69.1-56.6-59.600113.2D28 A29 R57 I60 A61 L65M26-D28 PolarHBondContact O-N 3.37Å; M26-A29 PolarHBondContact O-N 3.06Å; M26-R57 HydrophobicContact CE-CB 4.14Å; M26-I60 HydrophobicContact SD-CB 4.23Å; M26-I60 HydrophobicContact SD-CG2 3.64Å; M26-A61 HydrophobicContact CE-CB 4.3Å; M26-A61 HydrophobicContact SD-CB 4.11Å; M26-L65 HydrophobicContact CG-CD1 4.12Å; M26-L65 HydrophobicContact SD-CD1 3.75Å
27S96Very high94.7Very high101 Ų10150.2 Ų50.271%0.70628%0.276SS*.G310 helixtrans-71.3-13.717760.20000113.3T25 A29T25-S27 PolarHBondContact O-N 2.81Å; T25-S27 PolarHBondContact OG1-N 3.31Å; T25-S27 PolarHBondContact OG1-OG 3.41Å; S27-A29 PolarHBondContact O-N 2.87Å
28D96.7Very high95.8Very high9 Ų948.2 Ų48.25%0.04827%0.266CS..G310 helixtrans-79.1-1.1178.7-63.7-39.2000113.3R22 F24 T25 M26 E30 A31 F32R22-D28 IonicContact CZ-OD1 3.29Å; R22-D28 IonicContact CZ-OD2 2.92Å; R22-D28 IonicContact NH1-OD1 2.73Å; R22-D28 PolarHBondContact NH1-OD1 2.9Å; R22-D28 IonicContact NH1-OD2 3.54Å; R22-D28 PolarHBondContact NH1-OD2 2.92Å; R22-D28 IonicContact NH2-OD1 2.75Å; R22-D28 PolarHBondContact NH2-OD1 2.76Å; R22-D28 IonicContact NH2-OD2 2.74Å; F24-D28 WeakPolarHBondContact CA-OD2 3.44Å; F24-D28 HydrophobicContact CD1-CB 3.68Å; F24-D28 HydrophobicContact CE1-CB 3.96Å; T25-D28 PolarHBondContact N-OD2 3.32Å; T25-D28 WeakPolarHBondContact O-CB 3.49Å; T25-D28 PolarHBondContact O-N 3.3Å; T25-D28 VanDerWaalsContact O-N 3.1Å; T25-D28 PolarHBondContact OG1-OD2 3.48Å; M26-D28 PolarHBondContact O-N 3.37Å; D28-E30 VanDerWaalsContact C-N 3.33Å; D28-E30 PolarHBondContact O-N 3.07Å; D28-A31 PolarHBondContact O-N 2.84Å; D28-A31 VanDerWaalsContact O-N 3.16Å; D28-F32 WeakPolarHBondContact O-CB 3.31Å; D28-F32 PolarHBondContact O-N 3.39Å
29A97Very high96.2Very high3 Ų346.7 Ų46.73%0.02527%0.266CS..Hα-helixtrans-57.7-40.3-175.500000113.7M26 S27 F32 M33 V53 A56 R57 I60M26-A29 PolarHBondContact O-N 3.06Å; S27-A29 PolarHBondContact O-N 2.87Å; A29-F32 WeakPolarHBondContact O-CB 3.15Å; A29-F32 PolarHBondContact O-N 3Å; A29-M33 PolarHBondContact O-N 2.95Å; A29-V53 HydrophobicContact CB-CG2 3.95Å; A29-A56 HydrophobicContact CB-CB 4.46Å; A29-R57 HydrophobicContact CB-CG 3.52Å; A29-I60 HydrophobicContact CB-CD1 3.93Å
30E96.4Very high96.2Very high120 Ų12052.2 Ų52.256%0.56129%0.285SS*.Hα-helixtrans-67.5-45.3176.5-67.2-64.5168.400111.2D28 F32 M33 V53 R57D28-E30 VanDerWaalsContact C-N 3.33Å; D28-E30 PolarHBondContact O-N 3.07Å; E30-F32 VanDerWaalsContact C-N 3.27Å; E30-F32 PolarHBondContact O-N 2.96Å; E30-M33 WeakPolarHBondContact O-CB 3.27Å; E30-M33 PolarHBondContact O-N 3.38Å; E30-M33 VanDerWaalsContact O-N 3.15Å; E30-V53 HydrophobicContact CG-CG2 4.42Å; E30-R57 IonicContact OE1-NH2 3.34Å
31A96.1Very high96.1Very high33 Ų3351.1 Ų51.127%0.27328%0.277SS..Hα-helixtrans-64.8-34177.500000112D28 M33 S34 W35 V83D28-A31 PolarHBondContact O-N 2.84Å; D28-A31 VanDerWaalsContact O-N 3.16Å; A31-M33 PolarHBondContact O-N 2.91Å; A31-S34 VanDerWaalsContact O-CB 3.24Å; A31-S34 WeakPolarHBondContact O-CB 3.23Å; A31-S34 PolarHBondContact O-N 3.1Å; A31-S34 PolarHBondContact O-OG 2.98Å; A31-W35 VanDerWaalsContact O-CZ3 3.24Å; A31-W35 WeakPolarHBondContact O-CZ3 3.29Å; A31-V83 HydrophobicContact CB-CB 3.89Å
32F96.8Very high95.9Very high6 Ų649.2 Ų49.23%0.02627%0.267CS..Hα-helixtrans-58-34.8175.2-169.8-82.8000112.2F24 D28 A29 E30 S34 W35 A36 Y50 A56 Y59 I60 I64F24-F32 HydrophobicContact CE1-CD2 4.01Å; F24-F32 HydrophobicContact CZ-CD2 4.25Å; D28-F32 WeakPolarHBondContact O-CB 3.31Å; D28-F32 PolarHBondContact O-N 3.39Å; A29-F32 WeakPolarHBondContact O-CB 3.15Å; A29-F32 PolarHBondContact O-N 3Å; E30-F32 VanDerWaalsContact C-N 3.27Å; E30-F32 PolarHBondContact O-N 2.96Å; F32-S34 PolarHBondContact O-N 3.17Å; F32-W35 HydrophobicContact CB-CH2 4.31Å; F32-W35 HydrophobicContact CB-CZ2 4.12Å; F32-W35 AromaticContact CD2-CE2 3.95Å; F32-W35 HydrophobicContact CD2-CH2 4.22Å; F32-W35 AromaticContact CD2-CZ2 3.36Å; F32-W35 HydrophobicContact CD2-CZ2 3.36Å; F32-W35 AromaticContact CE2-CZ2 3.85Å; F32-W35 HydrophobicContact CE2-CZ2 3.85Å; F32-W35 AromaticContact CE2-NE1 3.86Å; F32-W35 AromaticContact CG-CZ2 3.83Å; F32-W35 HydrophobicContact CG-CZ2 3.83Å; F32-W35 AromaticContact CZ-NE1 3.94Å; F32-W35 PolarHBondContact O-N 3.16Å; F32-A36 HydrophobicContact CD1-CB 3.48Å; F32-A36 VanDerWaalsContact CD1-CB 3.48Å; F32-A36 HydrophobicContact CE1-CB 3.38Å; F32-A36 HydrophobicContact CZ-CB 4.45Å; F32-A36 VanDerWaalsContact O-CB 3.25Å; F32-A36 WeakPolarHBondContact O-CB 3.14Å; F32-A36 PolarHBondContact O-N 2.91Å; F32-A36 VanDerWaalsContact O-N 3.08Å; F32-Y50 HydrophobicContact CD1-CD2 4.47Å; F32-Y50 HydrophobicContact CD1-CE2 4.33Å; F32-Y50 HydrophobicContact CE1-CD2 4.13Å; F32-Y50 AromaticContact CE1-CE2 3.65Å; F32-Y50 HydrophobicContact CE1-CE2 3.65Å; F32-A56 HydrophobicContact CB-CB 4.24Å; F32-A56 HydrophobicContact CD1-CB 3.66Å; F32-A56 HydrophobicContact CE1-CB 4.45Å; F32-A56 HydrophobicContact CG-CB 4.25Å; F32-Y59 HydrophobicContact CE1-CD1 4.09Å; F32-Y59 AromaticContact CE2-CD1 3.91Å; F32-Y59 HydrophobicContact CE2-CD1 3.91Å; F32-Y59 HydrophobicContact CE2-CE1 4.02Å; F32-Y59 AromaticContact CZ-CD1 3.39Å; F32-Y59 HydrophobicContact CZ-CD1 3.39Å; F32-Y59 AromaticContact CZ-CE1 3.6Å; F32-Y59 HydrophobicContact CZ-CE1 3.6Å; F32-Y59 HydrophobicContact CZ-CG 4.38Å; F32-I60 HydrophobicContact CB-CD1 4.33Å; F32-I60 HydrophobicContact CD2-CG1 4.38Å; F32-I64 HydrophobicContact CD2-CD1 4.02Å; F32-I64 HydrophobicContact CE2-CD1 3.51Å; F32-I64 HydrophobicContact CZ-CD1 4.37Å
33M96.7Very high95.8Very high25 Ų2553.2 Ų53.212%0.12328%0.282CS..Hα-helixtrans-62.6-25.9177-67.7-62.4-73.600112.8A29 E30 A31 W35 A36 S37 Y50 V53 A56A29-M33 PolarHBondContact O-N 2.95Å; E30-M33 WeakPolarHBondContact O-CB 3.27Å; E30-M33 PolarHBondContact O-N 3.38Å; E30-M33 VanDerWaalsContact O-N 3.15Å; A31-M33 PolarHBondContact O-N 2.91Å; M33-W35 PolarHBondContact O-N 2.89Å; M33-A36 PolarHBondContact O-N 3.24Å; M33-S37 PolarHBondContact O-N 3.12Å; M33-S37 VanDerWaalsContact O-N 3.12Å; M33-S37 PolarHBondContact O-OG 2.93Å; M33-Y50 HydrophobicContact SD-CD2 4.24Å; M33-V53 HydrophobicContact CG-CB 4.24Å; M33-V53 HydrophobicContact CG-CG2 4.33Å; M33-A56 HydrophobicContact CG-CB 4.19Å; M33-A56 HydrophobicContact SD-CB 3.81Å
34S95.6Very high95.5Very high58 Ų5849.6 Ų49.641%0.40626%0.264SS..Hα-helixtrans-58.9-21.9-178.5710000114.7A31 F32A31-S34 VanDerWaalsContact O-CB 3.24Å; A31-S34 WeakPolarHBondContact O-CB 3.23Å; A31-S34 PolarHBondContact O-N 3.1Å; A31-S34 PolarHBondContact O-OG 2.98Å; F32-S34 PolarHBondContact O-N 3.17Å
35W96.6Very high95.1Very high2 Ų251.2 Ų51.21%0.00827%0.272CS..Hα-helixtrans-118.5-27.2169.86481.8000113.7F24 A31 F32 M33 S37 D38 V41 V83 V84 G85 A109F24-W35 HydrophobicContact CE1-CH2 4.35Å; F24-W35 HydrophobicContact CE1-CZ2 4.41Å; F24-W35 HydrophobicContact CZ-CH2 4.1Å; F24-W35 AromaticContact CZ-CZ2 3.98Å; F24-W35 HydrophobicContact CZ-CZ2 3.98Å; A31-W35 VanDerWaalsContact O-CZ3 3.24Å; A31-W35 WeakPolarHBondContact O-CZ3 3.29Å; F32-W35 HydrophobicContact CB-CH2 4.31Å; F32-W35 HydrophobicContact CB-CZ2 4.12Å; F32-W35 AromaticContact CD2-CE2 3.95Å; F32-W35 HydrophobicContact CD2-CH2 4.22Å; F32-W35 AromaticContact CD2-CZ2 3.36Å; F32-W35 HydrophobicContact CD2-CZ2 3.36Å; F32-W35 AromaticContact CE2-CZ2 3.85Å; F32-W35 HydrophobicContact CE2-CZ2 3.85Å; F32-W35 AromaticContact CE2-NE1 3.86Å; F32-W35 AromaticContact CG-CZ2 3.83Å; F32-W35 HydrophobicContact CG-CZ2 3.83Å; F32-W35 AromaticContact CZ-NE1 3.94Å; F32-W35 PolarHBondContact O-N 3.16Å; M33-W35 PolarHBondContact O-N 2.89Å; W35-S37 VanDerWaalsContact C-N 3.32Å; W35-S37 PolarHBondContact O-N 2.84Å; W35-D38 PolarHBondContact O-N 2.83Å; W35-V41 HydrophobicContact CB-CB 4.46Å; W35-V41 HydrophobicContact CB-CG1 3.94Å; W35-V41 HydrophobicContact CB-CG2 4.41Å; W35-V83 HydrophobicContact CH2-CG1 3.53Å; W35-V83 HydrophobicContact CZ3-CG1 3.85Å; W35-V84 VanDerWaalsContact CZ3-C 3.49Å; W35-G85 WeakPolarHBondContact CH2-O 3.41Å; W35-A109 HydrophobicContact CB-CB 4.08Å; W35-A109 HydrophobicContact CE3-CB 4.38Å
36A96.3Very high94.8Very high5 Ų556.7 Ų56.74%0.04129%0.286CS..Hα-helixtrans-71.8-26.1-175.800000113.2F32 M33 A49 Y50F32-A36 HydrophobicContact CD1-CB 3.48Å; F32-A36 VanDerWaalsContact CD1-CB 3.48Å; F32-A36 HydrophobicContact CE1-CB 3.38Å; F32-A36 HydrophobicContact CZ-CB 4.45Å; F32-A36 VanDerWaalsContact O-CB 3.25Å; F32-A36 WeakPolarHBondContact O-CB 3.14Å; F32-A36 PolarHBondContact O-N 2.91Å; F32-A36 VanDerWaalsContact O-N 3.08Å; M33-A36 PolarHBondContact O-N 3.24Å; A36-A49 CarbonylContact O-C 3.56Å; A36-A49 VanDerWaalsContact O-CA 3.31Å; A36-A49 WeakPolarHBondContact O-CA 3.23Å; A36-Y50 HydrophobicContact CB-CD2 3.77Å; A36-Y50 HydrophobicContact CB-CE2 4.29Å; A36-Y50 HydrophobicContact CB-CG 4.08Å; A36-Y50 PolarHBondContact O-N 2.88Å
37S96.4Very high94.4Very high56 Ų5658 Ų5839%0.39229%0.286SS..THydrogen-bonded Turntrans-91-7.2177.2680000114.3M33 W35 P39 Y50M33-S37 PolarHBondContact O-N 3.12Å; M33-S37 VanDerWaalsContact O-N 3.12Å; M33-S37 PolarHBondContact O-OG 2.93Å; W35-S37 VanDerWaalsContact C-N 3.32Å; W35-S37 PolarHBondContact O-N 2.84Å; S37-P39 VanDerWaalsContact O-CD 3.27Å; S37-P39 WeakPolarHBondContact O-CD 3.35Å; S37-Y50 WeakPolarHBondContact CA-O 3.41Å; S37-Y50 WeakPolarHBondContact CB-O 3.49Å
38D96Very high94.2Very high16 Ų1658.3 Ų58.39%0.08628%0.279CS..  trans-89.2111.8-179.3-171.3-14.2000110.7W35 R40 V41 V42 R110W35-D38 PolarHBondContact O-N 2.83Å; D38-R40 PolarHBondContact O-N 2.94Å; D38-R40 VanDerWaalsContact OD1-CB 3.31Å; D38-R40 WeakPolarHBondContact OD1-CB 3.47Å; D38-R40 IonicContact OD1-CZ 2.74Å; D38-R40 PolarHBondContact OD1-N 2.89Å; D38-R40 IonicContact OD1-NE 3.56Å; D38-R40 PolarHBondContact OD1-NE 2.85Å; D38-R40 IonicContact OD1-NH2 3.97Å; D38-R40 IonicContact OD2-NE 3.53Å; D38-R40 IonicContact OD2-NH2 2.76Å; D38-V41 HydrophobicContact CB-CB 4.33Å; D38-V41 HydrophobicContact CB-CG2 3.83Å; D38-V41 PolarHBondContact O-N 2.81Å; D38-V42 PolarHBondContact O-N 3.39Å; D38-R110 IonicContact OD2-CZ 3.63Å; D38-R110 IonicContact OD2-NH1 3.58Å; D38-R110 PolarHBondContact OD2-NH1 3.36Å
39P94.3Very high94Very high87 Ų8759.2 Ų59.257%0.56529%0.289SS*.THydrogen-bonded Turntrans-56.4-25.6179.2-25.736.5000113.5S37 R43 A49S37-P39 VanDerWaalsContact O-CD 3.27Å; S37-P39 WeakPolarHBondContact O-CD 3.35Å; P39-R43 PolarHBondContact O-N 2.66Å; P39-R43 VanDerWaalsContact O-N 3.07Å; P39-A49 HydrophobicContact CG-CB 4.22Å
40R93.8Very high93.9Very high138 Ų13860.1 Ų60.152%0.52129%0.291SS..THydrogen-bonded Turntrans-71.4-33.1176.7-68169.6-77.4-143.9-21.4112.4D38 R110 W113D38-R40 PolarHBondContact O-N 2.94Å; D38-R40 VanDerWaalsContact OD1-CB 3.31Å; D38-R40 WeakPolarHBondContact OD1-CB 3.47Å; D38-R40 IonicContact OD1-CZ 2.74Å; D38-R40 PolarHBondContact OD1-N 2.89Å; D38-R40 IonicContact OD1-NE 3.56Å; D38-R40 PolarHBondContact OD1-NE 2.85Å; D38-R40 IonicContact OD1-NH2 3.97Å; D38-R40 IonicContact OD2-NE 3.53Å; D38-R40 IonicContact OD2-NH2 2.76Å; R40-R110 VanDerWaalsContact NH1-CZ 3.25Å; R40-R110 VanDerWaalsContact NH2-CZ 3.34Å; R40-W113 HydrophobicContact CB-CH2 4.38Å
41V93.9Very high93.9Very high15 Ų1561.8 Ų61.89%0.09130%0.299CS..THydrogen-bonded Turntrans-79.2-36.2178.9-176.90000110.8W35 D38 Q45 R110 W113W35-V41 HydrophobicContact CB-CB 4.46Å; W35-V41 HydrophobicContact CB-CG1 3.94Å; W35-V41 HydrophobicContact CB-CG2 4.41Å; D38-V41 HydrophobicContact CB-CB 4.33Å; D38-V41 HydrophobicContact CB-CG2 3.83Å; D38-V41 PolarHBondContact O-N 2.81Å; V41-Q45 PolarHBondContact O-NE2 3.26Å; V41-R110 HydrophobicContact CG2-CB 4.32Å; V41-W113 HydrophobicContact CB-CZ2 4.29Å; V41-W113 HydrophobicContact CG2-CH2 4.44Å; V41-W113 HydrophobicContact CG2-CZ2 3.72Å
42V93.3Very high93.9Very high6 Ų665.9 Ų65.94%0.03631%0.312CS..SBendtrans-89.43.4-180-56.20000114.4D38 F44 Q45 A49D38-V42 PolarHBondContact O-N 3.39Å; V42-F44 VanDerWaalsContact C-N 3.25Å; V42-F44 PolarHBondContact O-N 2.8Å; V42-Q45 HydrophobicContact CB-CB 4.4Å; V42-Q45 WeakPolarHBondContact O-CB 3.36Å; V42-Q45 PolarHBondContact O-N 3.28Å; V42-A49 HydrophobicContact CG2-CB 3.91Å
43R93Very high93.9Very high158 Ų15867 Ų6760%0.59632%0.32SS*.THydrogen-bonded Turntrans-51.3-42.6-179.4-179.1179.4174.9-177.1-2.8113.1P39P39-R43 PolarHBondContact O-N 2.66Å; P39-R43 VanDerWaalsContact O-N 3.07Å
44F90.6Very high93.9Very high46 Ų4669.5 Ų69.520%0.20233%0.334CS..THydrogen-bonded Turntrans-100.822.9-177.5-55.7-67.8000112.9V42 D144 D146 N147V42-F44 VanDerWaalsContact C-N 3.25Å; V42-F44 PolarHBondContact O-N 2.8Å; F44-D144 HydrophobicContact CB-CB 4.43Å; F44-D144 HydrophobicContact CD1-CB 3.71Å; F44-D144 HydrophobicContact CE1-CB 4.24Å; F44-D144 HydrophobicContact CG-CB 4.23Å; F44-D146 HydrophobicContact CE1-CB 4.04Å; F44-D146 HydrophobicContact CZ-CB 4.37Å; F44-D146 WeakPolarHBondContact CZ-O 3.24Å; F44-N147 HydrophobicContact CD1-CB 4.43Å; F44-N147 HydrophobicContact CD2-CB 3.88Å; F44-N147 VanDerWaalsContact CD2-ND2 3.26Å; F44-N147 WeakPolarHBondContact CD2-ND2 3.25Å; F44-N147 HydrophobicContact CE1-CB 4.26Å; F44-N147 HydrophobicContact CE2-CB 3.68Å; F44-N147 HydrophobicContact CG-CB 4.24Å; F44-N147 HydrophobicContact CZ-CB 3.87Å
45Q89.4Confident94Very high43 Ų4370 Ų7020%0.20133%0.33CS..SBendtrans-112.5161.3-178.4-59.6-175.247.800111.2V41 V42 R47 K172V41-Q45 PolarHBondContact O-NE2 3.26Å; V42-Q45 HydrophobicContact CB-CB 4.4Å; V42-Q45 WeakPolarHBondContact O-CB 3.36Å; V42-Q45 PolarHBondContact O-N 3.28Å; Q45-R47 VanDerWaalsContact C-N 3.33Å; Q45-K172 VanDerWaalsContact O-CE 3.3Å; Q45-K172 WeakPolarHBondContact O-CE 3.31Å
46R89.6Confident94Very high176 Ų17670 Ų7066%0.66433%0.329SS*.SBendtrans-67.8-32.6176.3-67.9-175.5-175.7-83.46.2112.9L170 L171R46-L170 PolarHBondContact NH1-O 2.75Å; R46-L171 HydrophobicContact CG-CD2 3.7Å
47R88.1Confident94Very high116 Ų11674.5 Ų74.544%0.43835%0.345SS..SBendtrans-94.9151.9-176.4-65.4-175-177.1-121.42.2111.1Q45 H63Q45-R47 VanDerWaalsContact C-N 3.33Å; R47-H63 PolarHBondContact NH2-CD2 3.44Å; R47-H63 PolarHBondContact NH2-NE2 3.21Å
48D90.8Very high94.1Very high106 Ų10679.5 Ų79.557%0.56736%0.356SS*.PPolyproline II helixtrans-79.3170.3168.5-67.1-50.3000111.9K172D48-K172 WeakPolarHBondContact OD1-CD 3.31Å; D48-K172 VanDerWaalsContact OD1-CE 3.28Å; D48-K172 WeakPolarHBondContact OD1-CE 3.49Å; D48-K172 IonicContact OD1-NZ 3.83Å; D48-K172 PolarHBondContact OD1-NZ 3.5Å
49A94.3Very high94.1Very high29 Ų2980.3 Ų80.324%0.2436%0.358CS..PPolyproline II helixtrans-64.1141.3-179.300000109.7A36 P39 V42A36-A49 CarbonylContact O-C 3.56Å; A36-A49 VanDerWaalsContact O-CA 3.31Å; A36-A49 WeakPolarHBondContact O-CA 3.23Å; P39-A49 HydrophobicContact CG-CB 4.22Å; V42-A49 HydrophobicContact CG2-CB 3.91Å
50Y95Very high94.3Very high21 Ų2176.1 Ų76.18%0.08233%0.331CS..PPolyproline II helixtrans-78.3136.2177-68.42000109.8F32 M33 A36 S37 Q55 A56 Y59F32-Y50 HydrophobicContact CD1-CD2 4.47Å; F32-Y50 HydrophobicContact CD1-CE2 4.33Å; F32-Y50 HydrophobicContact CE1-CD2 4.13Å; F32-Y50 AromaticContact CE1-CE2 3.65Å; F32-Y50 HydrophobicContact CE1-CE2 3.65Å; M33-Y50 HydrophobicContact SD-CD2 4.24Å; A36-Y50 HydrophobicContact CB-CD2 3.77Å; A36-Y50 HydrophobicContact CB-CE2 4.29Å; A36-Y50 HydrophobicContact CB-CG 4.08Å; A36-Y50 PolarHBondContact O-N 2.88Å; S37-Y50 WeakPolarHBondContact CA-O 3.41Å; S37-Y50 WeakPolarHBondContact CB-O 3.49Å; Y50-Q55 HydrophobicContact CD1-CB 4.29Å; Y50-Q55 HydrophobicContact CD2-CB 3.76Å; Y50-Q55 HydrophobicContact CE2-CB 4.15Å; Y50-Q55 HydrophobicContact CG-CB 3.84Å; Y50-A56 HydrophobicContact CD2-CB 4.17Å; Y50-A56 HydrophobicContact CE2-CB 4.45Å; Y50-Y59 HydrophobicContact CE2-CG 4.39Å; Y50-Y59 WeakPolarHBondContact OH-CB 3.37Å; Y50-Y59 WeakPolarHBondContact OH-CD2 3.25Å
51E95.1Very high94.5Very high155 Ų15571.4 Ų71.472%0.72432%0.321SS*.SBendtrans-93.1-31.8178.2-64.1176.7-159.900110.9
52H96Very high94.6Very high119 Ų11975.6 Ų75.655%0.55134%0.343SS*.SBendtrans-134.5145.7-174.1-55.5-49000112.4D54 Q55H52-D54 PolarHBondContact O-N 3.33Å; H52-D54 VanDerWaalsContact O-N 3.13Å; H52-Q55 WeakPolarHBondContact O-CB 3.41Å; H52-Q55 PolarHBondContact O-N 3.42Å
53V96.9Very high94.8Very high30 Ų3079.1 Ų79.118%0.18236%0.359CS..Hα-helixtrans-59.1-25.5178.162.80000112.9A29 E30 M33 Q55 A56 R57A29-V53 HydrophobicContact CB-CG2 3.95Å; E30-V53 HydrophobicContact CG-CG2 4.42Å; M33-V53 HydrophobicContact CG-CB 4.24Å; M33-V53 HydrophobicContact CG-CG2 4.33Å; V53-Q55 PolarHBondContact O-N 2.93Å; V53-A56 CarbonylContact O-C 3.56Å; V53-A56 WeakPolarHBondContact O-CA 3.41Å; V53-A56 VanDerWaalsContact O-CB 3.31Å; V53-A56 WeakPolarHBondContact O-CB 3.34Å; V53-A56 PolarHBondContact O-N 2.95Å; V53-R57 PolarHBondContact O-N 2.82Å
54D97Very high95Very high78 Ų7871.9 Ų71.942%0.41733%0.332SS..Hα-helixtrans-63.7-29175.6-71.1-21.5000112.9H52 A56 R57 R58H52-D54 PolarHBondContact O-N 3.33Å; H52-D54 VanDerWaalsContact O-N 3.13Å; D54-A56 VanDerWaalsContact C-N 3.34Å; D54-R57 PolarHBondContact O-N 2.88Å; D54-R57 IonicContact OD1-CZ 3.04Å; D54-R57 IonicContact OD1-NH1 3.79Å; D54-R57 PolarHBondContact OD1-NH1 3.46Å; D54-R58 VanDerWaalsContact O-CG 3.32Å; D54-R58 WeakPolarHBondContact O-CG 3.41Å; D54-R58 PolarHBondContact O-N 3.38Å
55Q96.9Very high95.3Very high69 Ų6973.9 Ų73.932%0.32234%0.344SS..Hα-helixtrans-67.3-37.9171.1-64.2171.6-71.900111Y50 H52 V53 Y59Y50-Q55 HydrophobicContact CD1-CB 4.29Å; Y50-Q55 HydrophobicContact CD2-CB 3.76Å; Y50-Q55 HydrophobicContact CE2-CB 4.15Å; Y50-Q55 HydrophobicContact CG-CB 3.84Å; H52-Q55 WeakPolarHBondContact O-CB 3.41Å; H52-Q55 PolarHBondContact O-N 3.42Å; V53-Q55 PolarHBondContact O-N 2.93Å; Q55-Y59 VanDerWaalsContact O-CB 3.27Å; Q55-Y59 WeakPolarHBondContact O-CB 3.22Å; Q55-Y59 PolarHBondContact O-N 3.01Å
56A96.7Very high95.7Very high0 Ų076.3 Ų76.30%036%0.364CS..Hα-helixtrans-65.9-45.4173.800000111.6A29 F32 M33 Y50 V53 D54 R58 Y59 I60A29-A56 HydrophobicContact CB-CB 4.46Å; F32-A56 HydrophobicContact CB-CB 4.24Å; F32-A56 HydrophobicContact CD1-CB 3.66Å; F32-A56 HydrophobicContact CE1-CB 4.45Å; F32-A56 HydrophobicContact CG-CB 4.25Å; M33-A56 HydrophobicContact CG-CB 4.19Å; M33-A56 HydrophobicContact SD-CB 3.81Å; Y50-A56 HydrophobicContact CD2-CB 4.17Å; Y50-A56 HydrophobicContact CE2-CB 4.45Å; V53-A56 CarbonylContact O-C 3.56Å; V53-A56 WeakPolarHBondContact O-CA 3.41Å; V53-A56 VanDerWaalsContact O-CB 3.31Å; V53-A56 WeakPolarHBondContact O-CB 3.34Å; V53-A56 PolarHBondContact O-N 2.95Å; D54-A56 VanDerWaalsContact C-N 3.34Å; A56-R58 PolarHBondContact O-N 3.49Å; A56-Y59 PolarHBondContact O-N 3.27Å; A56-I60 VanDerWaalsContact O-CG1 3.29Å; A56-I60 WeakPolarHBondContact O-CG1 3.35Å; A56-I60 PolarHBondContact O-N 3.03Å
57R97.6Very high96.1Very high100 Ų10069.8 Ų69.838%0.37734%0.341SS..Hα-helixtrans-57.1-50.3176.4-69.3178.8-179126.46111.6M26 A29 E30 V53 D54 Y59 I60 A61M26-R57 HydrophobicContact CE-CB 4.14Å; A29-R57 HydrophobicContact CB-CG 3.52Å; E30-R57 IonicContact OE1-NH2 3.34Å; V53-R57 PolarHBondContact O-N 2.82Å; D54-R57 PolarHBondContact O-N 2.88Å; D54-R57 IonicContact OD1-CZ 3.04Å; D54-R57 IonicContact OD1-NH1 3.79Å; D54-R57 PolarHBondContact OD1-NH1 3.46Å; R57-Y59 PolarHBondContact O-N 3.26Å; R57-I60 PolarHBondContact O-N 2.98Å; R57-A61 WeakPolarHBondContact O-CB 3.38Å; R57-A61 PolarHBondContact O-N 3.42Å
58R97.2Very high96.4Very high162 Ų16268.2 Ų68.261%0.61135%0.346SS*.Hα-helixtrans-60.1-46176.5-70.6174.8-168.6159.75.4111.4D54 A56 I60 A61 D62D54-R58 VanDerWaalsContact O-CG 3.32Å; D54-R58 WeakPolarHBondContact O-CG 3.41Å; D54-R58 PolarHBondContact O-N 3.38Å; A56-R58 PolarHBondContact O-N 3.49Å; R58-I60 VanDerWaalsContact C-N 3.33Å; R58-I60 PolarHBondContact O-N 3.3Å; R58-A61 PolarHBondContact O-N 3.27Å; R58-D62 VanDerWaalsContact O-CB 3.3Å; R58-D62 WeakPolarHBondContact O-CB 3.46Å; R58-D62 PolarHBondContact O-N 2.72Å
59Y96.9Very high96.7Very high32 Ų3264.1 Ų64.113%0.12532%0.322CS..Hα-helixtrans-62.2-39.8178.7-174.8-95000112.7F32 Y50 Q55 A56 R57 H63 I64 Y70F32-Y59 HydrophobicContact CE1-CD1 4.09Å; F32-Y59 AromaticContact CE2-CD1 3.91Å; F32-Y59 HydrophobicContact CE2-CD1 3.91Å; F32-Y59 HydrophobicContact CE2-CE1 4.02Å; F32-Y59 AromaticContact CZ-CD1 3.39Å; F32-Y59 HydrophobicContact CZ-CD1 3.39Å; F32-Y59 AromaticContact CZ-CE1 3.6Å; F32-Y59 HydrophobicContact CZ-CE1 3.6Å; F32-Y59 HydrophobicContact CZ-CG 4.38Å; Y50-Y59 HydrophobicContact CE2-CG 4.39Å; Y50-Y59 WeakPolarHBondContact OH-CB 3.37Å; Y50-Y59 WeakPolarHBondContact OH-CD2 3.25Å; Q55-Y59 VanDerWaalsContact O-CB 3.27Å; Q55-Y59 WeakPolarHBondContact O-CB 3.22Å; Q55-Y59 PolarHBondContact O-N 3.01Å; A56-Y59 PolarHBondContact O-N 3.27Å; R57-Y59 PolarHBondContact O-N 3.26Å; Y59-H63 HydrophobicContact CD2-CB 4.17Å; Y59-H63 AromaticContact CD2-CD2 3.39Å; Y59-H63 WeakPolarHBondContact CD2-CD2 3.49Å; Y59-H63 HydrophobicContact CE2-CB 3.94Å; Y59-H63 AromaticContact CE2-CD2 3.69Å; Y59-H63 WeakPolarHBondContact O-CA 3.4Å; Y59-H63 WeakPolarHBondContact O-CB 3.34Å; Y59-H63 PolarHBondContact O-N 3.17Å; Y59-I64 HydrophobicContact CD1-CD1 3.77Å; Y59-I64 HydrophobicContact CD1-CG1 3.86Å; Y59-I64 HydrophobicContact CE1-CD1 3.74Å; Y59-I64 HydrophobicContact CE1-CG1 3.67Å; Y59-I64 PolarHBondContact O-N 2.85Å; Y59-Y70 WeakPolarHBondContact CE1-OH 3.17Å; Y59-Y70 PolarHBondContact OH-OH 2.85Å
60I97.6Very high96.9Very high0 Ų063.1 Ų63.10%031%0.312CS..Iπ-helixtrans-61.7-52.1174.9-69166.4000109.8M26 A29 F32 A56 R57 R58 I64 L65M26-I60 HydrophobicContact SD-CB 4.23Å; M26-I60 HydrophobicContact SD-CG2 3.64Å; A29-I60 HydrophobicContact CB-CD1 3.93Å; F32-I60 HydrophobicContact CB-CD1 4.33Å; F32-I60 HydrophobicContact CD2-CG1 4.38Å; A56-I60 VanDerWaalsContact O-CG1 3.29Å; A56-I60 WeakPolarHBondContact O-CG1 3.35Å; A56-I60 PolarHBondContact O-N 3.03Å; R57-I60 PolarHBondContact O-N 2.98Å; R58-I60 VanDerWaalsContact C-N 3.33Å; R58-I60 PolarHBondContact O-N 3.3Å; I60-I64 HydrophobicContact CB-CD1 4.38Å; I60-I64 HydrophobicContact CG1-CD1 3.72Å; I60-I64 HydrophobicContact CG2-CB 4.47Å; I60-I64 WeakPolarHBondContact O-CA 3.3Å; I60-I64 WeakPolarHBondContact O-CB 3.33Å; I60-I64 PolarHBondContact O-N 3.45Å; I60-L65 HydrophobicContact CG2-CD1 4.34Å; I60-L65 HydrophobicContact CG2-CD2 4.22Å; I60-L65 HydrophobicContact CG2-CG 3.97Å; I60-L65 WeakPolarHBondContact O-CG 3.29Å; I60-L65 PolarHBondContact O-N 3.49Å
61A97.9Very high97Very high38 Ų3864.5 Ų64.531%0.31432%0.318SS..Iπ-helixtrans-62-46.6-17800000113.2M26 R57 R58 P66M26-A61 HydrophobicContact CE-CB 4.3Å; M26-A61 HydrophobicContact SD-CB 4.11Å; R57-A61 WeakPolarHBondContact O-CB 3.38Å; R57-A61 PolarHBondContact O-N 3.42Å; R58-A61 PolarHBondContact O-N 3.27Å; A61-P66 VanDerWaalsContact O-CD 3.24Å; A61-P66 WeakPolarHBondContact O-CD 3.32Å; A61-P66 WeakPolarHBondContact O-CG 3.38Å
62D97.5Very high97.2Very high103 Ų10357.1 Ų57.155%0.55128%0.283SS*.Iπ-helixtrans-88-23.3-169.3-58.1-22.6000113.1R58R58-D62 VanDerWaalsContact O-CB 3.3Å; R58-D62 WeakPolarHBondContact O-CB 3.46Å; R58-D62 PolarHBondContact O-N 2.72Å
63H96.3Very high97.3Very high81 Ų8151.5 Ų51.538%0.37526%0.257SS..Iπ-helixtrans-131.4-25.3-170.7-59.2-56.8000115.5R47 Y59 H67R47-H63 PolarHBondContact NH2-CD2 3.44Å; R47-H63 PolarHBondContact NH2-NE2 3.21Å; Y59-H63 HydrophobicContact CD2-CB 4.17Å; Y59-H63 AromaticContact CD2-CD2 3.39Å; Y59-H63 WeakPolarHBondContact CD2-CD2 3.49Å; Y59-H63 HydrophobicContact CE2-CB 3.94Å; Y59-H63 AromaticContact CE2-CD2 3.69Å; Y59-H63 WeakPolarHBondContact O-CA 3.4Å; Y59-H63 WeakPolarHBondContact O-CB 3.34Å; Y59-H63 PolarHBondContact O-N 3.17Å; H63-H67 WeakPolarHBondContact O-CB 3.48Å
64I97.6Very high97.3Very high5 Ų550.1 Ų50.13%0.02625%0.248CC..Iπ-helixtrans-93.5-53.9-179.1-57.9-174.3000110.6F24 F32 Y59 I60 H67 Y70F24-I64 HydrophobicContact CB-CG2 3.49Å; F24-I64 VanDerWaalsContact CB-CG2 3.49Å; F24-I64 HydrophobicContact CD1-CD1 4.42Å; F24-I64 HydrophobicContact CD2-CD1 4.38Å; F24-I64 HydrophobicContact CD2-CG2 3.61Å; F24-I64 HydrophobicContact CE2-CD1 4.47Å; F24-I64 HydrophobicContact CG-CD1 4.36Å; F24-I64 HydrophobicContact CG-CG2 3.67Å; F32-I64 HydrophobicContact CD2-CD1 4.02Å; F32-I64 HydrophobicContact CE2-CD1 3.51Å; F32-I64 HydrophobicContact CZ-CD1 4.37Å; Y59-I64 HydrophobicContact CD1-CD1 3.77Å; Y59-I64 HydrophobicContact CD1-CG1 3.86Å; Y59-I64 HydrophobicContact CE1-CD1 3.74Å; Y59-I64 HydrophobicContact CE1-CG1 3.67Å; Y59-I64 PolarHBondContact O-N 2.85Å; I60-I64 HydrophobicContact CB-CD1 4.38Å; I60-I64 HydrophobicContact CG1-CD1 3.72Å; I60-I64 HydrophobicContact CG2-CB 4.47Å; I60-I64 WeakPolarHBondContact O-CA 3.3Å; I60-I64 WeakPolarHBondContact O-CB 3.33Å; I60-I64 PolarHBondContact O-N 3.45Å; I64-H67 VanDerWaalsContact O-CB 3.23Å; I64-H67 WeakPolarHBondContact O-CB 3.48Å; I64-H67 PolarHBondContact O-N 3.32Å; I64-H67 VanDerWaalsContact O-N 3.1Å; I64-Y70 HydrophobicContact CB-CG 4.46Å; I64-Y70 HydrophobicContact CD1-CE1 3.91Å; I64-Y70 HydrophobicContact CG1-CD1 4.39Å; I64-Y70 HydrophobicContact CG1-CD2 4.38Å; I64-Y70 HydrophobicContact CG1-CE1 4Å; I64-Y70 HydrophobicContact CG1-CE2 4.04Å; I64-Y70 HydrophobicContact CG2-CD1 3.66Å; I64-Y70 HydrophobicContact CG2-CD2 4.28Å; I64-Y70 HydrophobicContact CG2-CE1 4.09Å; I64-Y70 HydrophobicContact CG2-CG 3.74Å
65L97.3Very high97.2Very high89 Ų8946.7 Ų46.747%0.46623%0.23SC..THydrogen-bonded Turntrans-61.8-38.3-177.7-59.8-178.3000113.4F24 M26 I60 H67F24-L65 VanDerWaalsContact O-CD2 3.31Å; F24-L65 WeakPolarHBondContact O-CD2 3.42Å; M26-L65 HydrophobicContact CG-CD1 4.12Å; M26-L65 HydrophobicContact SD-CD1 3.75Å; I60-L65 HydrophobicContact CG2-CD1 4.34Å; I60-L65 HydrophobicContact CG2-CD2 4.22Å; I60-L65 HydrophobicContact CG2-CG 3.97Å; I60-L65 WeakPolarHBondContact O-CG 3.29Å; I60-L65 PolarHBondContact O-N 3.49Å; L65-H67 PolarHBondContact O-N 2.88Å
66P97.4Very high96.7Very high93 Ų9344.6 Ų44.660%0.60423%0.228SC*.THydrogen-bonded Turntrans-79.9-3.2176.8-14.532000113.7A61A61-P66 VanDerWaalsContact O-CD 3.24Å; A61-P66 WeakPolarHBondContact O-CD 3.32Å; A61-P66 WeakPolarHBondContact O-CG 3.38Å
67H97.2Very high95.8Very high39 Ų3949.1 Ų49.118%0.18127%0.265CS..SBendtrans-78.8137.3-173.6-169.1-85.9000111.3H63 I64 L65 W69 Y70 V89H63-H67 WeakPolarHBondContact O-CB 3.48Å; I64-H67 VanDerWaalsContact O-CB 3.23Å; I64-H67 WeakPolarHBondContact O-CB 3.48Å; I64-H67 PolarHBondContact O-N 3.32Å; I64-H67 VanDerWaalsContact O-N 3.1Å; L65-H67 PolarHBondContact O-N 2.88Å; H67-W69 PolarHBondContact CE1-O 3.1Å; H67-W69 PolarHBondContact ND1-N 2.8Å; H67-W69 VanDerWaalsContact ND1-N 3.17Å; H67-W69 PolarHBondContact ND1-O 2.76Å; H67-W69 PolarHBondContact O-N 2.75Å; H67-W69 VanDerWaalsContact O-N 3.16Å; H67-Y70 HydrophobicContact CB-CD2 3.94Å; H67-Y70 HydrophobicContact CB-CG 4.45Å; H67-Y70 AromaticContact CD2-CD2 3.99Å; H67-Y70 AromaticContact CG-CD2 3.68Å; H67-Y70 AromaticContact ND1-CD2 3.86Å; H67-V89 PolarHBondContact CE1-O 2.88Å; H67-V89 VanDerWaalsContact CE1-O 3.24Å
68P94.7Very high94.7Very high84 Ų8447.1 Ų47.155%0.54528%0.275SS..SBendtrans-61.3-31.4-174.422.6-34.7000113.6P91P68-P91 HydrophobicContact CG-CG 4.3Å
69W97.7Very high93.8Very high19 Ų1944.2 Ų44.27%0.07229%0.286CS..SBendtrans-151.2100.2175.1-159.199.5000111.5L21 H67 R71 I87 S88 V89 A125 A128 V129 W133L21-W69 HydrophobicContact CD1-CH2 3.97Å; H67-W69 PolarHBondContact CE1-O 3.1Å; H67-W69 PolarHBondContact ND1-N 2.8Å; H67-W69 VanDerWaalsContact ND1-N 3.17Å; H67-W69 PolarHBondContact ND1-O 2.76Å; H67-W69 PolarHBondContact O-N 2.75Å; H67-W69 VanDerWaalsContact O-N 3.16Å; W69-R71 HydrophobicContact CD2-CG 4.36Å; W69-R71 HydrophobicContact CE3-CG 4.21Å; W69-R71 HydrophobicContact CH2-CB 4.4Å; W69-R71 HydrophobicContact CH2-CG 3.75Å; W69-R71 HydrophobicContact CZ2-CG 3.92Å; W69-R71 HydrophobicContact CZ3-CB 4.4Å; W69-R71 HydrophobicContact CZ3-CG 3.92Å; W69-I87 HydrophobicContact CH2-CG2 4.36Å; W69-I87 HydrophobicContact CZ3-CG1 4.32Å; W69-I87 HydrophobicContact CZ3-CG2 4.04Å; W69-S88 WeakPolarHBondContact O-CA 3.39Å; W69-V89 HydrophobicContact CB-CB 4.39Å; W69-V89 WeakPolarHBondContact CB-O 3.2Å; W69-V89 HydrophobicContact CD2-CB 4.25Å; W69-V89 HydrophobicContact CD2-CG2 4.26Å; W69-V89 HydrophobicContact CE3-CB 3.83Å; W69-V89 HydrophobicContact CE3-CG2 3.58Å; W69-V89 HydrophobicContact CZ3-CG2 3.77Å; W69-V89 PolarHBondContact O-N 2.91Å; W69-A125 HydrophobicContact CH2-CB 3.33Å; W69-A125 HydrophobicContact CZ2-CB 4.23Å; W69-A125 HydrophobicContact CZ3-CB 3.77Å; W69-A128 HydrophobicContact CZ2-CB 4.04Å; W69-V129 HydrophobicContact CD2-CG1 3.85Å; W69-V129 HydrophobicContact CE3-CG1 4.46Å; W69-V129 HydrophobicContact CG-CG1 4.03Å; W69-V129 HydrophobicContact CZ2-CG1 4.16Å; W69-W133 HydrophobicContact CB-CH2 3.73Å; W69-W133 HydrophobicContact CB-CZ2 3.63Å; W69-W133 AromaticContact CD1-CZ2 3.93Å; W69-W133 HydrophobicContact CG-CH2 4.17Å; W69-W133 AromaticContact CG-CZ2 4Å; W69-W133 HydrophobicContact CG-CZ2 4Å
70Y98.3Very high92.9Very high9 Ų948 Ų484%0.03532%0.315CS..EExtended strand (participates in β ladder)trans-141.2130178.9-147.7-59.7000109F24 Y59 I64 H67 I87 R107F24-Y70 AromaticContact CD2-CD1 3.86Å; F24-Y70 HydrophobicContact CD2-CD1 3.86Å; F24-Y70 HydrophobicContact CD2-CE1 4.22Å; F24-Y70 AromaticContact CE2-CD1 3.89Å; F24-Y70 HydrophobicContact CE2-CD1 3.89Å; F24-Y70 AromaticContact CE2-CE1 3.87Å; F24-Y70 HydrophobicContact CE2-CE1 3.87Å; Y59-Y70 WeakPolarHBondContact CE1-OH 3.17Å; Y59-Y70 PolarHBondContact OH-OH 2.85Å; I64-Y70 HydrophobicContact CB-CG 4.46Å; I64-Y70 HydrophobicContact CD1-CE1 3.91Å; I64-Y70 HydrophobicContact CG1-CD1 4.39Å; I64-Y70 HydrophobicContact CG1-CD2 4.38Å; I64-Y70 HydrophobicContact CG1-CE1 4Å; I64-Y70 HydrophobicContact CG1-CE2 4.04Å; I64-Y70 HydrophobicContact CG2-CD1 3.66Å; I64-Y70 HydrophobicContact CG2-CD2 4.28Å; I64-Y70 HydrophobicContact CG2-CE1 4.09Å; I64-Y70 HydrophobicContact CG2-CG 3.74Å; H67-Y70 HydrophobicContact CB-CD2 3.94Å; H67-Y70 HydrophobicContact CB-CG 4.45Å; H67-Y70 AromaticContact CD2-CD2 3.99Å; H67-Y70 AromaticContact CG-CD2 3.68Å; H67-Y70 AromaticContact ND1-CD2 3.86Å; Y70-I87 WeakPolarHBondContact CD1-O 3.32Å; Y70-R107 VanDerWaalsContact CZ-NH2 3.27Å; Y70-R107 PolarHBondContact OH-NH1 3.27Å; Y70-R107 PolarHBondContact OH-NH2 2.92Å
71R98.1Very high92.5Very high50 Ų5049 Ų4919%0.18932%0.32CS..EExtended strand (participates in β ladder)trans-134.5142.3-172.2-58.4-65.7177.7-108.817.8111.8L21 R22 E23 F24 W69 S86 I87L21-R71 HydrophobicContact CB-CB 4.1Å; L21-R71 HydrophobicContact CB-CG 4.41Å; R22-R71 VanDerWaalsContact C-CD 3.48Å; R22-R71 CarbonylContact O-C 3.51Å; R22-R71 WeakPolarHBondContact O-CA 3.28Å; R22-R71 WeakPolarHBondContact O-CB 3.36Å; R22-R71 WeakPolarHBondContact O-CD 3.26Å; E23-R71 IonicContact OE1-CZ 3.69Å; E23-R71 IonicContact OE1-NH1 2.76Å; E23-R71 PolarHBondContact OE1-NH1 3.29Å; E23-R71 IonicContact OE1-NH2 3.83Å; E23-R71 PolarHBondContact OE1-NH2 3Å; F24-R71 VanDerWaalsContact CE2-O 3.31Å; F24-R71 WeakPolarHBondContact CE2-O 3.23Å; W69-R71 HydrophobicContact CD2-CG 4.36Å; W69-R71 HydrophobicContact CE3-CG 4.21Å; W69-R71 HydrophobicContact CH2-CB 4.4Å; W69-R71 HydrophobicContact CH2-CG 3.75Å; W69-R71 HydrophobicContact CZ2-CG 3.92Å; W69-R71 HydrophobicContact CZ3-CB 4.4Å; W69-R71 HydrophobicContact CZ3-CG 3.92Å; R71-S86 WeakPolarHBondContact O-CA 3.23Å; R71-I87 HydrophobicContact CB-CG2 4Å; R71-I87 PolarHBondContact N-O 3.02Å; R71-I87 PolarHBondContact O-N 3.45Å
72A98.2Very high92.2Very high0 Ų050.7 Ų50.70%033%0.327CS..EExtended strand (participates in β ladder)trans-71.6134.216600000108.8L21 R22 F24 V83L21-A72 WeakPolarHBondContact CA-O 3.22Å; R22-A72 HydrophobicContact CG-CB 4.19Å; R22-A72 PolarHBondContact N-O 2.73Å; R22-A72 PolarHBondContact O-N 2.98Å; F24-A72 HydrophobicContact CD1-CB 4.29Å; F24-A72 HydrophobicContact CD2-CB 3.98Å; F24-A72 VanDerWaalsContact CD2-N 3.32Å; F24-A72 HydrophobicContact CE1-CB 4.1Å; F24-A72 HydrophobicContact CE2-CB 3.8Å; F24-A72 VanDerWaalsContact CE2-N 3.25Å; F24-A72 HydrophobicContact CG-CB 4.22Å; F24-A72 HydrophobicContact CZ-CB 3.83Å; A72-V83 HydrophobicContact CB-CG1 3.79Å; A72-V83 HydrophobicContact CB-CG2 4.06Å
73I98.1Very high92.2Very high0 Ų046.4 Ų46.40%031%0.305CS..EExtended strand (participates in β ladder)trans-89.2116.7169.7-57.3172.6000106.7V19 L21 V75 V84 G85 I87 L108 I117 A121V19-I73 HydrophobicContact CG1-CG2 4.29Å; L21-I73 HydrophobicContact CD2-CB 4.42Å; L21-I73 HydrophobicContact CD2-CG1 3.95Å; I73-V75 HydrophobicContact CG2-CG2 4.36Å; I73-V84 HydrophobicContact CG2-CG2 4.1Å; I73-V84 WeakPolarHBondContact O-CG2 3.26Å; I73-V84 PolarHBondContact O-N 3.41Å; I73-G85 PolarHBondContact N-O 2.82Å; I73-G85 PolarHBondContact O-N 3.35Å; I73-I87 HydrophobicContact CD1-CB 4.21Å; I73-I87 HydrophobicContact CD1-CG2 4.49Å; I73-I87 HydrophobicContact CG1-CB 4.25Å; I73-I87 HydrophobicContact CG1-CG2 4Å; I73-L108 HydrophobicContact CD1-CD1 4.47Å; I73-L108 HydrophobicContact CG2-CD1 4.36Å; I73-I117 HydrophobicContact CG2-CG2 3.89Å; I73-A121 HydrophobicContact CD1-CB 3.77Å; I73-A121 HydrophobicContact CG1-CB 3.99Å; I73-A121 HydrophobicContact CG2-CB 4.09Å
74C97.2Very high92.2Very high1 Ų142.7 Ų42.71%0.00729%0.288CS..EExtended strand (participates in β ladder)trans-111.9133.4-178.1-62.70000111.1V19 S20 L81 P82V19-C74 WeakPolarHBondContact CA-O 3.19Å; S20-C74 PolarHBondContact N-O 2.52Å; S20-C74 PolarHBondContact O-N 2.85Å; C74-L81 HydrophobicContact CB-CB 3.63Å; C74-P82 CarbonylContact C-O 3.51Å; C74-P82 WeakPolarHBondContact CA-O 3.49Å
75V94.8Very high92.3Very high6 Ų642.5 Ų42.54%0.03629%0.287CS..EExtended strand (participates in β ladder)trans-142.4132.9-177.7-179.30000111.3L17 E18 V19 I73 P82 V84 I117L17-V75 HydrophobicContact CB-CG1 4.18Å; L17-V75 HydrophobicContact CD2-CG1 4.42Å; E18-V75 WeakPolarHBondContact O-CA 3.44Å; V19-V75 HydrophobicContact CG1-CG2 4.49Å; V19-V75 HydrophobicContact CG2-CG2 3.98Å; I73-V75 HydrophobicContact CG2-CG2 4.36Å; V75-P82 PolarHBondContact N-O 2.72Å; V75-P82 WeakPolarHBondContact O-CD 3.39Å; V75-V84 HydrophobicContact CB-CG1 4.33Å; V75-V84 HydrophobicContact CB-CG2 3.9Å; V75-V84 HydrophobicContact CG2-CG2 3.58Å; V75-I117 HydrophobicContact CB-CD1 4.43Å; V75-I117 HydrophobicContact CG1-CD1 3.94Å; V75-I117 HydrophobicContact CG1-CG1 4.37Å; V75-I117 HydrophobicContact CG2-CB 4.49Å; V75-I117 HydrophobicContact CG2-CD1 4.04Å; V75-I117 HydrophobicContact CG2-CG1 4.08Å; V75-I117 HydrophobicContact CG2-CG2 3.61Å
76G87.5Confident92.3Very high26 Ų2638.2 Ų38.227%0.26827%0.265SS..EExtended strand (participates in β ladder)trans150.9-150.1173.900000112.7L81G76-L81 VanDerWaalsContact O-CD2 3.3Å; G76-L81 WeakPolarHBondContact O-CD2 3.31Å
77A78Confident92.4Very high94 Ų9433.8 Ų33.878%0.77724%0.236SC*.SBendtrans-127.9153.3170.900000109.1
78G74.2Confident92.4Very high58 Ų5832.7 Ų32.760%0.59823%0.233SC*.SBendtrans88.7174.4-176.300000113.7L81G78-L81 WeakPolarHBondContact O-CD2 3.5Å; G78-L81 WeakPolarHBondContact O-CG 3.4Å
79A77.9Confident92.6Very high101 Ų10128.7 Ų28.784%0.83521%0.207SC*.SBendtrans-127.3131.2177.800000110.1
80P78.6Confident92.6Very high113 Ų11334.1 Ų34.173%0.73423%0.231SC*.SBendcis-74.7145.9-5.231.8-34.3000112.3
81L87.6Confident92.5Very high21 Ų2135.4 Ų35.411%0.1124%0.24CC..PPolyproline II helixtrans-65.2136.2174.5-71.1170.8000110.7E18 S20 C74 G76 G78 V83E18-L81 HydrophobicContact CG-CD1 4.42Å; S20-L81 VanDerWaalsContact OG-CD1 3.23Å; S20-L81 WeakPolarHBondContact OG-CD1 3.48Å; C74-L81 HydrophobicContact CB-CB 3.63Å; G76-L81 VanDerWaalsContact O-CD2 3.3Å; G76-L81 WeakPolarHBondContact O-CD2 3.31Å; G78-L81 WeakPolarHBondContact O-CD2 3.5Å; G78-L81 WeakPolarHBondContact O-CG 3.4Å; L81-V83 PolarHBondContact O-N 2.97Å
82P93.1Very high92.3Very high72 Ų7234 Ų3447%0.46824%0.241SC..PPolyproline II helixtrans-56.4135178.8-25.933.1000112.6C74 V75C74-P82 CarbonylContact C-O 3.51Å; C74-P82 WeakPolarHBondContact CA-O 3.49Å; V75-P82 PolarHBondContact N-O 2.72Å; V75-P82 WeakPolarHBondContact O-CD 3.39Å
83V96.7Very high92Very high13 Ų1338 Ų388%0.07927%0.267CS..EExtended strand (participates in β ladder)trans-78.3123.1173.3-173.60000109.5F24 A31 W35 A72 L81F24-V83 HydrophobicContact CE1-CG1 4.37Å; F24-V83 HydrophobicContact CZ-CG1 4.38Å; A31-V83 HydrophobicContact CB-CB 3.89Å; W35-V83 HydrophobicContact CH2-CG1 3.53Å; W35-V83 HydrophobicContact CZ3-CG1 3.85Å; A72-V83 HydrophobicContact CB-CG1 3.79Å; A72-V83 HydrophobicContact CB-CG2 4.06Å; L81-V83 PolarHBondContact O-N 2.97Å
84V97.1Very high91.6Very high4 Ų442.2 Ų42.22%0.02429%0.293CS..EExtended strand (participates in β ladder)trans-121.6-3.7-174.5-590000112.8W35 I73 V75 L108 A109 H112W35-V84 VanDerWaalsContact CZ3-C 3.49Å; I73-V84 HydrophobicContact CG2-CG2 4.1Å; I73-V84 WeakPolarHBondContact O-CG2 3.26Å; I73-V84 PolarHBondContact O-N 3.41Å; V75-V84 HydrophobicContact CB-CG1 4.33Å; V75-V84 HydrophobicContact CB-CG2 3.9Å; V75-V84 HydrophobicContact CG2-CG2 3.58Å; V84-L108 HydrophobicContact CB-CD1 4.41Å; V84-L108 HydrophobicContact CG2-CD1 3.78Å; V84-L108 WeakPolarHBondContact O-CD1 3.38Å; V84-A109 WeakPolarHBondContact O-CB 3.32Å; V84-A109 PolarHBondContact O-N 2.94Å; V84-H112 WeakPolarHBondContact CG1-CE1 3.07Å; V84-H112 WeakPolarHBondContact CG1-NE2 3.4Å
85G98Very high91Very high0 Ų048.6 Ų48.60%032%0.323CS..EExtended strand (participates in β ladder)trans-176.6-169.9-178.800000112.7W35 I73 R107W35-G85 WeakPolarHBondContact CH2-O 3.41Å; I73-G85 PolarHBondContact N-O 2.82Å; I73-G85 PolarHBondContact O-N 3.35Å; G85-R107 CarbonylContact C-O 3.48Å; G85-R107 WeakPolarHBondContact CA-O 3.42Å
86S98.3Very high90.6Very high0 Ų056 Ų560%036%0.362CS..EExtended strand (participates in β ladder)trans-143.8150.1178.4480000111.4R71 Y106 R107R71-S86 WeakPolarHBondContact O-CA 3.23Å; S86-Y106 CarbonylContact O-C 3.57Å; S86-Y106 WeakPolarHBondContact O-CA 3.41Å; S86-Y106 WeakPolarHBondContact O-CB 3.5Å; S86-R107 PolarHBondContact N-O 2.87Å; S86-R107 PolarHBondContact O-N 2.78Å; S86-R107 PolarHBondContact OG-NE 3.37Å; S86-R107 PolarHBondContact OG-NH2 2.79Å
87I98.6Very high90.6Very high0 Ų057.8 Ų57.80%038%0.381CS..EExtended strand (participates in β ladder)trans-138.3141172.5-173.8157000109.5L21 W69 Y70 R71 I73 V104 G105 V122 A125L21-I87 HydrophobicContact CD1-CG2 4.18Å; L21-I87 HydrophobicContact CD2-CG2 3.79Å; W69-I87 HydrophobicContact CH2-CG2 4.36Å; W69-I87 HydrophobicContact CZ3-CG1 4.32Å; W69-I87 HydrophobicContact CZ3-CG2 4.04Å; Y70-I87 WeakPolarHBondContact CD1-O 3.32Å; R71-I87 HydrophobicContact CB-CG2 4Å; R71-I87 PolarHBondContact N-O 3.02Å; R71-I87 PolarHBondContact O-N 3.45Å; I73-I87 HydrophobicContact CD1-CB 4.21Å; I73-I87 HydrophobicContact CD1-CG2 4.49Å; I73-I87 HydrophobicContact CG1-CB 4.25Å; I73-I87 HydrophobicContact CG1-CG2 4Å; I87-V104 HydrophobicContact CD1-CG2 3.98Å; I87-V104 HydrophobicContact CG1-CG2 3.98Å; I87-G105 CarbonylContact C-O 3.51Å; I87-G105 WeakPolarHBondContact CA-O 3.44Å; I87-V122 HydrophobicContact CD1-CB 4.39Å; I87-V122 HydrophobicContact CD1-CG2 3.9Å; I87-A125 HydrophobicContact CD1-CB 3.47Å; I87-A125 VanDerWaalsContact CD1-CB 3.47Å; I87-A125 HydrophobicContact CG1-CB 4.08Å
88S98.5Very high91Very high16 Ų1662.4 Ų62.411%0.11238%0.378CS..EExtended strand (participates in β ladder)trans-138144.5-18059.60000110W69 V104 G105W69-S88 WeakPolarHBondContact O-CA 3.39Å; S88-V104 WeakPolarHBondContact O-CA 3.49Å; S88-G105 PolarHBondContact N-O 2.88Å; S88-G105 PolarHBondContact O-N 3.46Å; S88-G105 PolarHBondContact OG-O 2.92Å
89V98.5Very high91.8Very high0 Ų060.9 Ų60.90%036%0.357CS..EExtended strand (participates in β ladder)trans-125.4117.7172.1-175.30000107.8H67 W69 A102 S103 V104 V129 W133 L139H67-V89 PolarHBondContact CE1-O 2.88Å; H67-V89 VanDerWaalsContact CE1-O 3.24Å; W69-V89 HydrophobicContact CB-CB 4.39Å; W69-V89 WeakPolarHBondContact CB-O 3.2Å; W69-V89 HydrophobicContact CD2-CB 4.25Å; W69-V89 HydrophobicContact CD2-CG2 4.26Å; W69-V89 HydrophobicContact CE3-CB 3.83Å; W69-V89 HydrophobicContact CE3-CG2 3.58Å; W69-V89 HydrophobicContact CZ3-CG2 3.77Å; W69-V89 PolarHBondContact O-N 2.91Å; V89-A102 HydrophobicContact CG1-CB 3.7Å; V89-S103 WeakPolarHBondContact CA-O 3.3Å; V89-V104 HydrophobicContact CG2-CB 4.23Å; V89-V104 HydrophobicContact CG2-CG2 4.08Å; V89-V129 HydrophobicContact CB-CG1 3.97Å; V89-V129 HydrophobicContact CG1-CG1 4.1Å; V89-V129 HydrophobicContact CG1-CG2 4.45Å; V89-V129 HydrophobicContact CG2-CG1 3.9Å; V89-W133 HydrophobicContact CB-CH2 3.96Å; V89-W133 HydrophobicContact CB-CZ3 4.17Å; V89-W133 HydrophobicContact CG1-CH2 3.73Å; V89-W133 HydrophobicContact CG1-CZ3 3.43Å; V89-W133 VanDerWaalsContact CG1-CZ3 3.43Å; V89-L139 HydrophobicContact CG1-CD1 3.64Å
90K97.3Very high92.6Very high133 Ų13359.8 Ų59.858%0.57833%0.334SS*.EExtended strand (participates in β ladder)trans-110.8121.5-174.9-172.3-179175.9-179.90109.8A102 S103K90-A102 CarbonylContact O-C 3.58Å; K90-A102 WeakPolarHBondContact O-CA 3.46Å; K90-A102 WeakPolarHBondContact O-CB 3.37Å; K90-S103 PolarHBondContact N-O 3.41Å; K90-S103 PolarHBondContact O-N 3.25Å
91P96.8Very high93.5Very high35 Ų3557.8 Ų57.823%0.22731%0.312CS..EExtended strand (participates in β ladder)trans-54.7140170-25.234.7000111.6P68 P99 W133 W135P68-P91 HydrophobicContact CG-CG 4.3Å; P91-P99 HydrophobicContact CB-CB 3.95Å; P91-P99 HydrophobicContact CB-CG 4.12Å; P91-W133 HydrophobicContact CG-CH2 4.39Å; P91-W135 HydrophobicContact CB-CH2 4.05Å; P91-W135 HydrophobicContact CG-CH2 4.09Å; P91-W135 HydrophobicContact CG-CZ2 4.44Å
92G94.4Very high94Very high20 Ų2056.8 Ų56.821%0.20631%0.307CS..  trans-79-166.9177.200000112.9R101G92-R101 PolarHBondContact N-O 3.03Å
93P90.1Very high94.2Very high86 Ų8655.6 Ų55.656%0.55830%0.3SS*.  trans-56.2150.1170.7-2233.5000111.8
94T90.2Very high94.3Very high88 Ų8855.6 Ų55.654%0.5430%0.3SS..EExtended strand (participates in β ladder)trans-97.9143.9179.459.30000111.4R98 P99T94-R98 CarbonylContact C-O 3.59Å; T94-R98 VanDerWaalsContact CA-O 3.28Å; T94-R98 WeakPolarHBondContact CA-O 3.23Å; T94-P99 HydrophobicContact CG2-CB 4.38Å
95E83.9Confident94.3Very high135 Ų13556.8 Ų56.863%0.63131%0.313SS*.EExtended strand (participates in β ladder)trans-110.2129163-172.7164.4-152.100107.1G97 R98E95-G97 PolarHBondContact O-N 2.87Å; E95-G97 VanDerWaalsContact O-N 3.08Å; E95-R98 PolarHBondContact N-O 2.98Å; E95-R98 PolarHBondContact O-N 3.44Å; E95-R98 VanDerWaalsContact O-O 3.13Å
96D86.5Confident94.3Very high162 Ų16258.9 Ų58.987%0.86632%0.321SS*.THydrogen-bonded Turntrans4937.9-173.5-59.9-31000114.5R98D96-R98 VanDerWaalsContact C-N 3.27Å; D96-R98 PolarHBondContact O-N 3.32Å
97G87.6Confident94.3Very high63 Ų6360.5 Ų60.565%0.64933%0.327SS*.THydrogen-bonded Turntrans76.85-179.900000115E95E95-G97 PolarHBondContact O-N 2.87Å; E95-G97 VanDerWaalsContact O-N 3.08Å
98R86.7Confident94.2Very high191 Ų19161 Ų6172%0.72133%0.33SS*.EExtended strand (participates in β ladder)trans-116.1127.5178.1-60.9-175.1-174-142.60.9111.6T94 E95 D96T94-R98 CarbonylContact C-O 3.59Å; T94-R98 VanDerWaalsContact CA-O 3.28Å; T94-R98 WeakPolarHBondContact CA-O 3.23Å; E95-R98 PolarHBondContact N-O 2.98Å; E95-R98 PolarHBondContact O-N 3.44Å; E95-R98 VanDerWaalsContact O-O 3.13Å; D96-R98 VanDerWaalsContact C-N 3.27Å; D96-R98 PolarHBondContact O-N 3.32Å
99P92.3Very high94.2Very high26 Ų2660.5 Ų60.517%0.16933%0.326CS..EExtended strand (participates in β ladder)trans-69.5148.4167.630.6-32.3000109.2P91 T94 W135P91-P99 HydrophobicContact CB-CB 3.95Å; P91-P99 HydrophobicContact CB-CG 4.12Å; T94-P99 HydrophobicContact CG2-CB 4.38Å; P99-W135 HydrophobicContact CB-CE3 4.1Å; P99-W135 HydrophobicContact CB-CH2 4.04Å; P99-W135 HydrophobicContact CB-CZ3 3.72Å; P99-W135 HydrophobicContact CG-CD2 4.01Å; P99-W135 HydrophobicContact CG-CE3 3.83Å; P99-W135 HydrophobicContact CG-CH2 3.68Å; P99-W135 HydrophobicContact CG-CZ2 3.83Å; P99-W135 HydrophobicContact CG-CZ3 3.67Å
100F93.6Very high94Very high78 Ų7865.6 Ų65.634%0.34235%0.346SS..  trans-120.8-11.8173.361.8-91000112.3L137 R138F100-L137 HydrophobicContact CB-CD1 4.36Å; F100-L137 PolarHBondContact O-N 3.04Å; F100-R138 PolarHBondContact O-N 3.4Å
101R97Very high93.9Very high71 Ų7163.2 Ų63.227%0.26835%0.351SS..EExtended strand (participates in β ladder)trans-135.2160.8177.267.7172.9176.5159.1-6.4111.9G92 R138 E140G92-R101 PolarHBondContact N-O 3.03Å; R101-R138 CarbonylContact C-O 3.58Å; R101-R138 WeakPolarHBondContact CA-O 3.42Å; R101-R138 HydrophobicContact CB-CB 3.87Å; R101-R138 HydrophobicContact CB-CG 4.27Å; R101-R138 WeakPolarHBondContact CB-O 3.26Å; R101-E140 IonicContact CZ-OE1 2.68Å; R101-E140 IonicContact CZ-OE2 2.73Å; R101-E140 IonicContact NH1-OE1 3.3Å; R101-E140 PolarHBondContact NH1-OE1 3.26Å; R101-E140 IonicContact NH1-OE2 3.33Å; R101-E140 PolarHBondContact NH1-OE2 2.89Å
102A98.1Very high93.9Very high0 Ų063.4 Ų63.40%035%0.348CS..EExtended strand (participates in β ladder)trans-143.2153.417300000111.1V89 K90 W133 L136 R138 L139 E140V89-A102 HydrophobicContact CG1-CB 3.7Å; K90-A102 CarbonylContact O-C 3.58Å; K90-A102 WeakPolarHBondContact O-CA 3.46Å; K90-A102 WeakPolarHBondContact O-CB 3.37Å; A102-W133 HydrophobicContact CB-CE3 4.49Å; A102-W133 HydrophobicContact CB-CZ3 3.87Å; A102-L136 HydrophobicContact CB-CD1 3.63Å; A102-R138 PolarHBondContact N-O 3.33Å; A102-L139 HydrophobicContact CB-CD1 4.26Å; A102-L139 WeakPolarHBondContact O-CA 3.45Å; A102-E140 WeakPolarHBondContact O-CG 3.48Å; A102-E140 PolarHBondContact O-N 2.95Å
103S98.2Very high94Very high46 Ų4668.2 Ų68.232%0.32236%0.36SS..EExtended strand (participates in β ladder)trans-109.5132.4178.3-44.80000111.4V89 K90 E140V89-S103 WeakPolarHBondContact CA-O 3.3Å; K90-S103 PolarHBondContact N-O 3.41Å; K90-S103 PolarHBondContact O-N 3.25Å; S103-E140 CarbonylContact C-O 3.52Å; S103-E140 VanDerWaalsContact CA-O 3.22Å; S103-E140 WeakPolarHBondContact CA-O 3.21Å; S103-E140 PolarHBondContact OG-OE1 3Å
104V98.5Very high94.2Very high14 Ų1468.5 Ų68.59%0.08538%0.379CS..EExtended strand (participates in β ladder)trans-93.6140.5173.564.80000111.4I87 S88 V89 L139 E140 A141 F159I87-V104 HydrophobicContact CD1-CG2 3.98Å; I87-V104 HydrophobicContact CG1-CG2 3.98Å; S88-V104 WeakPolarHBondContact O-CA 3.49Å; V89-V104 HydrophobicContact CG2-CB 4.23Å; V89-V104 HydrophobicContact CG2-CG2 4.08Å; V104-L139 HydrophobicContact CB-CD1 4.32Å; V104-E140 PolarHBondContact N-O 3.48Å; V104-A141 HydrophobicContact CG1-CB 3.61Å; V104-F159 HydrophobicContact CG1-CE1 3.94Å; V104-F159 HydrophobicContact CG1-CZ 3.74Å
105G97.8Very high94.4Very high28 Ų2870 Ų7029%0.28938%0.375SS..EExtended strand (participates in β ladder)trans-140.8143.2171.200000110.8I87 S88I87-G105 CarbonylContact C-O 3.51Å; I87-G105 WeakPolarHBondContact CA-O 3.44Å; S88-G105 PolarHBondContact N-O 2.88Å; S88-G105 PolarHBondContact O-N 3.46Å; S88-G105 PolarHBondContact OG-O 2.92Å
106Y98.2Very high95Very high44 Ų4465.3 Ų65.317%0.17336%0.363CS..EExtended strand (participates in β ladder)trans-146.8156.5-177.356.1-92.3000112.8S86 A118 V122 S150 V153 L154S86-Y106 CarbonylContact O-C 3.57Å; S86-Y106 WeakPolarHBondContact O-CA 3.41Å; S86-Y106 WeakPolarHBondContact O-CB 3.5Å; Y106-A118 HydrophobicContact CD2-CB 4.36Å; Y106-A118 HydrophobicContact CE2-CB 4.3Å; Y106-V122 HydrophobicContact CD1-CG2 3.42Å; Y106-V122 VanDerWaalsContact CD1-CG2 3.42Å; Y106-V122 HydrophobicContact CE1-CG2 3.52Å; Y106-V122 HydrophobicContact CG-CG2 4.02Å; Y106-S150 PolarHBondContact OH-O 3.4Å; Y106-S150 VanDerWaalsContact OH-O 3.1Å; Y106-S150 PolarHBondContact OH-OG 2.66Å; Y106-V153 HydrophobicContact CE1-CG1 4.3Å; Y106-V153 HydrophobicContact CE2-CG1 3.97Å; Y106-V153 WeakPolarHBondContact OH-CB 3.44Å; Y106-V153 VanDerWaalsContact OH-CG1 3.27Å; Y106-V153 WeakPolarHBondContact OH-CG1 3.47Å; Y106-L154 HydrophobicContact CE1-CD2 4.04Å
107R97Very high95.5Very high35 Ų3557.7 Ų57.713%0.13232%0.322CS..EExtended strand (participates in β ladder)trans-139.8145.5177.4-65.6150.2-71.4-116.6-18.3108.6Y70 G85 S86Y70-R107 VanDerWaalsContact CZ-NH2 3.27Å; Y70-R107 PolarHBondContact OH-NH1 3.27Å; Y70-R107 PolarHBondContact OH-NH2 2.92Å; G85-R107 CarbonylContact C-O 3.48Å; G85-R107 WeakPolarHBondContact CA-O 3.42Å; S86-R107 PolarHBondContact N-O 2.87Å; S86-R107 PolarHBondContact O-N 2.78Å; S86-R107 PolarHBondContact OG-NE 3.37Å; S86-R107 PolarHBondContact OG-NH2 2.79Å
108L97.4Very high96Very high11 Ų1155.2 Ų55.26%0.05830%0.296CS..EExtended strand (participates in β ladder)trans-139.3136.7177.7-16670.5000108.8I73 V84 H112 W113 I117 A118I73-L108 HydrophobicContact CD1-CD1 4.47Å; I73-L108 HydrophobicContact CG2-CD1 4.36Å; V84-L108 HydrophobicContact CB-CD1 4.41Å; V84-L108 HydrophobicContact CG2-CD1 3.78Å; V84-L108 WeakPolarHBondContact O-CD1 3.38Å; L108-H112 HydrophobicContact CD1-CB 4.19Å; L108-H112 HydrophobicContact CD2-CB 3.83Å; L108-H112 VanDerWaalsContact CD2-O 3.32Å; L108-H112 WeakPolarHBondContact CD2-O 3.39Å; L108-H112 HydrophobicContact CG-CB 3.85Å; L108-W113 PolarHBondContact O-NE1 3.31Å; L108-I117 HydrophobicContact CD1-CG2 3.7Å; L108-I117 HydrophobicContact CD2-CB 3.99Å; L108-I117 HydrophobicContact CD2-CG2 4Å; L108-A118 HydrophobicContact CD2-CB 4.38Å
109A97.3Very high96.6Very high5 Ų546.9 Ų46.94%0.04127%0.266CS..  trans-59.6141.9173.800000110.5W35 V84 A111 H112 W113W35-A109 HydrophobicContact CB-CB 4.08Å; W35-A109 HydrophobicContact CE3-CB 4.38Å; V84-A109 WeakPolarHBondContact O-CB 3.32Å; V84-A109 PolarHBondContact O-N 2.94Å; A109-A111 PolarHBondContact O-N 3.34Å; A109-A111 VanDerWaalsContact O-N 3.13Å; A109-H112 PolarHBondContact O-N 2.81Å; A109-W113 VanDerWaalsContact O-CD1 3.31Å
110R96Very high96.8Very high107 Ų10749.8 Ų49.840%0.40427%0.274SS..G310 helixtrans-56.9-35.1-171.4-166.5178.387.5-107.85.7113.1D38 R40 V41 H112 W113D38-R110 IonicContact OD2-CZ 3.63Å; D38-R110 IonicContact OD2-NH1 3.58Å; D38-R110 PolarHBondContact OD2-NH1 3.36Å; R40-R110 VanDerWaalsContact NH1-CZ 3.25Å; R40-R110 VanDerWaalsContact NH2-CZ 3.34Å; V41-R110 HydrophobicContact CG2-CB 4.32Å; R110-H112 PolarHBondContact O-N 3.45Å; R110-W113 HydrophobicContact CB-CD2 4.44Å; R110-W113 HydrophobicContact CG-CD2 4.01Å; R110-W113 HydrophobicContact CG-CE3 3.82Å; R110-W113 HydrophobicContact CG-CH2 4.37Å; R110-W113 HydrophobicContact CG-CZ3 4.01Å; R110-W113 WeakPolarHBondContact O-CB 3.27Å; R110-W113 PolarHBondContact O-N 3.16Å; R110-W113 VanDerWaalsContact O-N 3.14Å
111A95.3Very high97Very high83 Ų8346.1 Ų46.169%0.68626%0.257SS*.G310 helixtrans-59.5-14.9177.300000114.1A109A109-A111 PolarHBondContact O-N 3.34Å; A109-A111 VanDerWaalsContact O-N 3.13Å
112H95.7Very high97.1Very high38 Ų3842.8 Ų42.818%0.17625%0.245CC..G310 helixtrans-111.43.3-177.1-60.3-87.4000113.2V84 L108 A109 R110 I117V84-H112 WeakPolarHBondContact CG1-CE1 3.07Å; V84-H112 WeakPolarHBondContact CG1-NE2 3.4Å; L108-H112 HydrophobicContact CD1-CB 4.19Å; L108-H112 HydrophobicContact CD2-CB 3.83Å; L108-H112 VanDerWaalsContact CD2-O 3.32Å; L108-H112 WeakPolarHBondContact CD2-O 3.39Å; L108-H112 HydrophobicContact CG-CB 3.85Å; A109-H112 PolarHBondContact O-N 2.81Å; R110-H112 PolarHBondContact O-N 3.45Å; H112-I117 HydrophobicContact CB-CD1 3.8Å
113W96.1Very high97.1Very high121 Ų12149.2 Ų49.246%0.45827%0.269SS..THydrogen-bonded Turntrans-67.9154.9177.5-69.36.2000112.2R40 V41 L108 A109 R110 R115R40-W113 HydrophobicContact CB-CH2 4.38Å; V41-W113 HydrophobicContact CB-CZ2 4.29Å; V41-W113 HydrophobicContact CG2-CH2 4.44Å; V41-W113 HydrophobicContact CG2-CZ2 3.72Å; L108-W113 PolarHBondContact O-NE1 3.31Å; A109-W113 VanDerWaalsContact O-CD1 3.31Å; R110-W113 HydrophobicContact CB-CD2 4.44Å; R110-W113 HydrophobicContact CG-CD2 4.01Å; R110-W113 HydrophobicContact CG-CE3 3.82Å; R110-W113 HydrophobicContact CG-CH2 4.37Å; R110-W113 HydrophobicContact CG-CZ3 4.01Å; R110-W113 WeakPolarHBondContact O-CB 3.27Å; R110-W113 PolarHBondContact O-N 3.16Å; R110-W113 VanDerWaalsContact O-N 3.14Å; W113-R115 PolarHBondContact O-N 3.38Å
114G94.9Very high97.1Very high92 Ų9249.1 Ų49.195%0.94827%0.271SS*.THydrogen-bonded Turntrans73.51.4176.500000115.6
115R95.4Very high97.1Very high120 Ų12048.4 Ų48.445%0.45327%0.267SS..SBendtrans-10311.8-174.6-61.1172.472-178.54.1114.6W113 I117W113-R115 PolarHBondContact O-N 3.38Å; R115-I117 HydrophobicContact CB-CD1 3.96Å; R115-I117 HydrophobicContact CB-CG1 4.19Å; R115-I117 PolarHBondContact O-N 2.81Å; R115-I117 VanDerWaalsContact O-N 3.13Å
116G96.1Very high97.1Very high37 Ų3747.5 Ų47.538%0.38126%0.256SS..SBendtrans71.6-0.5-17800000115.8A118 T119 R120G116-A118 PolarHBondContact O-N 2.85Å; G116-T119 PolarHBondContact O-N 3.02Å; G116-R120 PolarHBondContact O-N 2.93Å; G116-R120 VanDerWaalsContact O-N 3.07Å
117I97.2Very high97.1Very high1 Ų148.5 Ų48.51%0.00527%0.274CS..Hα-helixtrans-58.5-49.1-177.8-68.1163.2000111.7V19 I73 V75 L108 H112 R115 T119 R120 A121V19-I117 HydrophobicContact CG2-CB 4.5Å; V19-I117 HydrophobicContact CG2-CG1 4.23Å; V19-I117 HydrophobicContact CG2-CG2 4.32Å; I73-I117 HydrophobicContact CG2-CG2 3.89Å; V75-I117 HydrophobicContact CB-CD1 4.43Å; V75-I117 HydrophobicContact CG1-CD1 3.94Å; V75-I117 HydrophobicContact CG1-CG1 4.37Å; V75-I117 HydrophobicContact CG2-CB 4.49Å; V75-I117 HydrophobicContact CG2-CD1 4.04Å; V75-I117 HydrophobicContact CG2-CG1 4.08Å; V75-I117 HydrophobicContact CG2-CG2 3.61Å; L108-I117 HydrophobicContact CD1-CG2 3.7Å; L108-I117 HydrophobicContact CD2-CB 3.99Å; L108-I117 HydrophobicContact CD2-CG2 4Å; H112-I117 HydrophobicContact CB-CD1 3.8Å; R115-I117 HydrophobicContact CB-CD1 3.96Å; R115-I117 HydrophobicContact CB-CG1 4.19Å; R115-I117 PolarHBondContact O-N 2.81Å; R115-I117 VanDerWaalsContact O-N 3.13Å; I117-T119 VanDerWaalsContact C-N 3.35Å; I117-T119 PolarHBondContact O-N 2.86Å; I117-R120 PolarHBondContact O-N 2.86Å; I117-A121 WeakPolarHBondContact O-CB 3.41Å; I117-A121 PolarHBondContact O-N 3.12Å
118A97.8Very high97.1Very high12 Ų1248.8 Ų48.810%0.09928%0.284CS..Hα-helixtrans-61-42.5179.900000111.9Y106 L108 G116 R120 A121 V122 V153Y106-A118 HydrophobicContact CD2-CB 4.36Å; Y106-A118 HydrophobicContact CE2-CB 4.3Å; L108-A118 HydrophobicContact CD2-CB 4.38Å; G116-A118 PolarHBondContact O-N 2.85Å; A118-R120 PolarHBondContact O-N 3.43Å; A118-A121 PolarHBondContact O-N 3.14Å; A118-V122 WeakPolarHBondContact O-CB 3.48Å; A118-V122 VanDerWaalsContact O-CG2 3.26Å; A118-V122 WeakPolarHBondContact O-CG2 3.38Å; A118-V122 PolarHBondContact O-N 3Å; A118-V153 HydrophobicContact CB-CG1 3.92Å; A118-V153 HydrophobicContact CB-CG2 3.95Å
119T98.2Very high97.1Very high15 Ų1548.3 Ų48.39%0.09228%0.281CS..Hα-helixtrans-59.3-45.9175.7-60.10000111.6G116 I117 V122 R123 K156 A157G116-T119 PolarHBondContact O-N 3.02Å; I117-T119 VanDerWaalsContact C-N 3.35Å; I117-T119 PolarHBondContact O-N 2.86Å; T119-V122 PolarHBondContact O-N 3.45Å; T119-R123 WeakPolarHBondContact O-CG 3.36Å; T119-R123 PolarHBondContact O-N 3.07Å; T119-K156 HydrophobicContact CG2-CB 3.65Å; T119-A157 HydrophobicContact CG2-CB 4.48Å
120R97.5Very high97.1Very high88 Ų8850.6 Ų50.633%0.33229%0.29SS..Hα-helixtrans-66.3-40.8178.3-74.1175.160.1-162-4.2112.4L17 V19 G116 I117 A118 R123 A124L17-R120 PolarHBondContact O-NH1 2.88Å; L17-R120 PolarHBondContact O-NH2 3.1Å; V19-R120 HydrophobicContact CB-CB 4.29Å; V19-R120 HydrophobicContact CG1-CB 4.29Å; V19-R120 HydrophobicContact CG2-CB 4.23Å; G116-R120 PolarHBondContact O-N 2.93Å; G116-R120 VanDerWaalsContact O-N 3.07Å; I117-R120 PolarHBondContact O-N 2.86Å; A118-R120 PolarHBondContact O-N 3.43Å; R120-R123 PolarHBondContact O-N 2.84Å; R120-A124 WeakPolarHBondContact O-CB 3.43Å; R120-A124 PolarHBondContact O-N 3.41Å
121A98.1Very high97.2Very high0 Ų049.5 Ų49.50%030%0.304CS..Hα-helixtrans-61.8-44.2174.800000112V19 L21 I73 I117 A118 A124 A125V19-A121 HydrophobicContact CG1-CB 4.34Å; L21-A121 HydrophobicContact CD2-CB 4.16Å; I73-A121 HydrophobicContact CD1-CB 3.77Å; I73-A121 HydrophobicContact CG1-CB 3.99Å; I73-A121 HydrophobicContact CG2-CB 4.09Å; I117-A121 WeakPolarHBondContact O-CB 3.41Å; I117-A121 PolarHBondContact O-N 3.12Å; A118-A121 PolarHBondContact O-N 3.14Å; A121-A124 PolarHBondContact O-N 3.29Å; A121-A125 WeakPolarHBondContact O-CB 3.38Å; A121-A125 PolarHBondContact O-N 3.46Å
122V98.6Very high97.2Very high1 Ų148.5 Ų48.51%0.00630%0.296CS..Hα-helixtrans-65.5-42.9177.9174.90000111.5I87 Y106 A118 T119 A125 A126 V153 A157 F159I87-V122 HydrophobicContact CD1-CB 4.39Å; I87-V122 HydrophobicContact CD1-CG2 3.9Å; Y106-V122 HydrophobicContact CD1-CG2 3.42Å; Y106-V122 VanDerWaalsContact CD1-CG2 3.42Å; Y106-V122 HydrophobicContact CE1-CG2 3.52Å; Y106-V122 HydrophobicContact CG-CG2 4.02Å; A118-V122 WeakPolarHBondContact O-CB 3.48Å; A118-V122 VanDerWaalsContact O-CG2 3.26Å; A118-V122 WeakPolarHBondContact O-CG2 3.38Å; A118-V122 PolarHBondContact O-N 3Å; T119-V122 PolarHBondContact O-N 3.45Å; V122-A125 PolarHBondContact O-N 3.22Å; V122-A126 WeakPolarHBondContact O-CB 3.18Å; V122-A126 PolarHBondContact O-N 2.66Å; V122-V153 HydrophobicContact CG2-CG1 4.11Å; V122-A157 HydrophobicContact CB-CB 3.92Å; V122-A157 HydrophobicContact CG1-CB 3.52Å; V122-F159 HydrophobicContact CG1-CD2 4.39Å; V122-F159 HydrophobicContact CG1-CE2 3.6Å; V122-F159 HydrophobicContact CG1-CZ 4.22Å
123R98.1Very high97.2Very high136 Ų13648.4 Ų48.451%0.51329%0.294SS..Hα-helixtrans-60.8-46.7174.6-73.5178.8-177.4177.2-3.8112T119 R120 A125 A126 A127 K156 A157T119-R123 WeakPolarHBondContact O-CG 3.36Å; T119-R123 PolarHBondContact O-N 3.07Å; R120-R123 PolarHBondContact O-N 2.84Å; R123-A125 VanDerWaalsContact C-N 3.32Å; R123-A125 PolarHBondContact O-N 2.89Å; R123-A126 PolarHBondContact O-N 2.99Å; R123-A127 WeakPolarHBondContact O-CB 3.41Å; R123-A127 PolarHBondContact O-N 3.06Å; R123-K156 PolarHBondContact NE-O 3.22Å; R123-K156 PolarHBondContact NH2-O 3.43Å; R123-A157 HydrophobicContact CG-CB 3.97Å
124A97.8Very high97.1Very high43 Ų4348.5 Ų48.536%0.35531%0.311SS..Hα-helixtrans-62.4-40.7178.100000111.7L21 R120 A121 A128L21-A124 HydrophobicContact CD1-CB 3.9Å; L21-A124 HydrophobicContact CG-CB 4.41Å; R120-A124 WeakPolarHBondContact O-CB 3.43Å; R120-A124 PolarHBondContact O-N 3.41Å; A121-A124 PolarHBondContact O-N 3.29Å; A124-A128 VanDerWaalsContact O-CB 3.29Å; A124-A128 WeakPolarHBondContact O-CB 3.18Å; A124-A128 PolarHBondContact O-N 2.6Å
125A98.4Very high97Very high0 Ų048 Ų480%028%0.28CS..Hα-helixtrans-63.1-48.4174.800000112L21 W69 I87 A121 V122 R123 A127 A128 V129L21-A125 HydrophobicContact CD1-CB 4.16Å; W69-A125 HydrophobicContact CH2-CB 3.33Å; W69-A125 HydrophobicContact CZ2-CB 4.23Å; W69-A125 HydrophobicContact CZ3-CB 3.77Å; I87-A125 HydrophobicContact CD1-CB 3.47Å; I87-A125 VanDerWaalsContact CD1-CB 3.47Å; I87-A125 HydrophobicContact CG1-CB 4.08Å; A121-A125 WeakPolarHBondContact O-CB 3.38Å; A121-A125 PolarHBondContact O-N 3.46Å; V122-A125 PolarHBondContact O-N 3.22Å; R123-A125 VanDerWaalsContact C-N 3.32Å; R123-A125 PolarHBondContact O-N 2.89Å; A125-A127 PolarHBondContact O-N 3.26Å; A125-A128 PolarHBondContact O-N 3Å; A125-V129 WeakPolarHBondContact O-CG2 3.47Å; A125-V129 PolarHBondContact O-N 3.13Å
126A98.4Very high97Very high8 Ų842.6 Ų42.67%0.06626%0.26CS..Hα-helixtrans-57.5-50.4177.900000111.4V122 R123 A128 V129 F130 L139 I183V122-A126 WeakPolarHBondContact O-CB 3.18Å; V122-A126 PolarHBondContact O-N 2.66Å; R123-A126 PolarHBondContact O-N 2.99Å; A126-A128 VanDerWaalsContact C-N 3.33Å; A126-A128 PolarHBondContact O-N 3.44Å; A126-V129 WeakPolarHBondContact O-CG2 3.44Å; A126-V129 PolarHBondContact O-N 3.1Å; A126-F130 HydrophobicContact CB-CD2 4.49Å; A126-F130 HydrophobicContact CB-CE2 4.49Å; A126-F130 WeakPolarHBondContact O-CD2 3.42Å; A126-F130 PolarHBondContact O-N 3.07Å; A126-L139 HydrophobicContact CB-CD2 3.64Å; A126-I183 HydrophobicContact CB-CD1 4.35Å
127A97.6Very high97Very high66 Ų6644.5 Ų44.555%0.54526%0.261SS..Hα-helixtrans-58.3-44.4177.100000112.1R123 A125 A131R123-A127 WeakPolarHBondContact O-CB 3.41Å; R123-A127 PolarHBondContact O-N 3.06Å; A125-A127 PolarHBondContact O-N 3.26Å; A127-A131 VanDerWaalsContact O-CB 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.24Å; A127-A131 PolarHBondContact O-N 3.07Å
128A97.8Very high97Very high41 Ų4146.6 Ų46.634%0.33927%0.269SS..Hα-helixtrans-64.8-42.5179.300000112.8W69 A124 A125 A126 A132W69-A128 HydrophobicContact CZ2-CB 4.04Å; A124-A128 VanDerWaalsContact O-CB 3.29Å; A124-A128 WeakPolarHBondContact O-CB 3.18Å; A124-A128 PolarHBondContact O-N 2.6Å; A125-A128 PolarHBondContact O-N 3Å; A126-A128 VanDerWaalsContact C-N 3.33Å; A126-A128 PolarHBondContact O-N 3.44Å; A128-A132 VanDerWaalsContact O-CB 3.23Å; A128-A132 WeakPolarHBondContact O-CB 3.15Å; A128-A132 PolarHBondContact O-N 3.27Å
129V97.7Very high97.1Very high0 Ų046.1 Ų46.10%026%0.264CS..Hα-helixtrans-74.6-37.5-179-61.90000112.6W69 V89 A125 A126 A131 A132 W133 L136 L139W69-V129 HydrophobicContact CD2-CG1 3.85Å; W69-V129 HydrophobicContact CE3-CG1 4.46Å; W69-V129 HydrophobicContact CG-CG1 4.03Å; W69-V129 HydrophobicContact CZ2-CG1 4.16Å; V89-V129 HydrophobicContact CB-CG1 3.97Å; V89-V129 HydrophobicContact CG1-CG1 4.1Å; V89-V129 HydrophobicContact CG1-CG2 4.45Å; V89-V129 HydrophobicContact CG2-CG1 3.9Å; A125-V129 WeakPolarHBondContact O-CG2 3.47Å; A125-V129 PolarHBondContact O-N 3.13Å; A126-V129 WeakPolarHBondContact O-CG2 3.44Å; A126-V129 PolarHBondContact O-N 3.1Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 3.08Å; V129-A132 PolarHBondContact O-N 3.47Å; V129-W133 HydrophobicContact CB-CD2 4.13Å; V129-W133 HydrophobicContact CB-CE3 3.74Å; V129-W133 HydrophobicContact CB-CH2 4.39Å; V129-W133 HydrophobicContact CB-CZ3 3.87Å; V129-W133 HydrophobicContact CG1-CE3 4.18Å; V129-W133 HydrophobicContact CG1-CH2 3.92Å; V129-W133 HydrophobicContact CG1-CZ2 4.3Å; V129-W133 HydrophobicContact CG1-CZ3 3.87Å; V129-W133 WeakPolarHBondContact O-CA 3.42Å; V129-W133 VanDerWaalsContact O-CB 3.23Å; V129-W133 WeakPolarHBondContact O-CB 3.42Å; V129-W133 PolarHBondContact O-N 2.76Å; V129-L136 HydrophobicContact CB-CD2 4.35Å; V129-L136 HydrophobicContact CG2-CD2 3.85Å; V129-L139 HydrophobicContact CG2-CD1 4.37Å; V129-L139 HydrophobicContact CG2-CD2 4.03Å
130F97.1Very high97.1Very high53 Ų5345.9 Ų45.923%0.23226%0.262CS..Hα-helixtrans-64.5-37.9173.5-77.7-60.4000111.8A126 L136 L139 I183 V185A126-F130 HydrophobicContact CB-CD2 4.49Å; A126-F130 HydrophobicContact CB-CE2 4.49Å; A126-F130 WeakPolarHBondContact O-CD2 3.42Å; A126-F130 PolarHBondContact O-N 3.07Å; F130-L136 HydrophobicContact CD1-CB 4.39Å; F130-L136 HydrophobicContact CD1-CD2 3.72Å; F130-L136 HydrophobicContact CD1-CG 4.15Å; F130-L136 HydrophobicContact CE1-CB 4.47Å; F130-L136 HydrophobicContact CE1-CD2 3.64Å; F130-L136 HydrophobicContact CE1-CG 3.86Å; F130-L136 HydrophobicContact CG-CD2 4.34Å; F130-L136 HydrophobicContact CZ-CD2 4.23Å; F130-L139 HydrophobicContact CE2-CB 4.06Å; F130-L139 HydrophobicContact CE2-CD2 4.14Å; F130-L139 HydrophobicContact CZ-CB 3.68Å; F130-I183 HydrophobicContact CE2-CB 4.18Å; F130-I183 HydrophobicContact CE2-CD1 4.45Å; F130-I183 HydrophobicContact CE2-CG2 3.79Å; F130-I183 HydrophobicContact CZ-CB 4.11Å; F130-I183 HydrophobicContact CZ-CG2 3.77Å; F130-V185 HydrophobicContact CD1-CG2 3.84Å; F130-V185 HydrophobicContact CE1-CG2 3.44Å; F130-V185 VanDerWaalsContact CE1-CG2 3.44Å; F130-V185 HydrophobicContact CZ-CG2 4.23Å
131A96.8Very high97.1Very high85 Ų8541.9 Ų41.970%0.70225%0.248SC*.Hα-helixtrans-67.6-37.8174.500000112.7A127 V129A127-A131 VanDerWaalsContact O-CB 3.31Å; A127-A131 WeakPolarHBondContact O-CB 3.24Å; A127-A131 PolarHBondContact O-N 3.07Å; V129-A131 VanDerWaalsContact C-N 3.31Å; V129-A131 PolarHBondContact O-N 3.08Å
132A96.4Very high97.1Very high62 Ų6244.6 Ų44.651%0.51227%0.265SS..Hα-helixtrans-86.1-24-17600000114.2A128 V129 P134A128-A132 VanDerWaalsContact O-CB 3.23Å; A128-A132 WeakPolarHBondContact O-CB 3.15Å; A128-A132 PolarHBondContact O-N 3.27Å; V129-A132 PolarHBondContact O-N 3.47Å; A132-P134 WeakPolarHBondContact O-CD 3.27Å
133W95.9Very high97.1Very high35 Ų3544.7 Ų44.713%0.13327%0.266CS..  trans-121.983.7-173-58.7-19.7000111.5W69 V89 P91 A102 V129 W135 L136W69-W133 HydrophobicContact CB-CH2 3.73Å; W69-W133 HydrophobicContact CB-CZ2 3.63Å; W69-W133 AromaticContact CD1-CZ2 3.93Å; W69-W133 HydrophobicContact CG-CH2 4.17Å; W69-W133 AromaticContact CG-CZ2 4Å; W69-W133 HydrophobicContact CG-CZ2 4Å; V89-W133 HydrophobicContact CB-CH2 3.96Å; V89-W133 HydrophobicContact CB-CZ3 4.17Å; V89-W133 HydrophobicContact CG1-CH2 3.73Å; V89-W133 HydrophobicContact CG1-CZ3 3.43Å; V89-W133 VanDerWaalsContact CG1-CZ3 3.43Å; P91-W133 HydrophobicContact CG-CH2 4.39Å; A102-W133 HydrophobicContact CB-CE3 4.49Å; A102-W133 HydrophobicContact CB-CZ3 3.87Å; V129-W133 HydrophobicContact CB-CD2 4.13Å; V129-W133 HydrophobicContact CB-CE3 3.74Å; V129-W133 HydrophobicContact CB-CH2 4.39Å; V129-W133 HydrophobicContact CB-CZ3 3.87Å; V129-W133 HydrophobicContact CG1-CE3 4.18Å; V129-W133 HydrophobicContact CG1-CH2 3.92Å; V129-W133 HydrophobicContact CG1-CZ2 4.3Å; V129-W133 HydrophobicContact CG1-CZ3 3.87Å; V129-W133 WeakPolarHBondContact O-CA 3.42Å; V129-W133 VanDerWaalsContact O-CB 3.23Å; V129-W133 WeakPolarHBondContact O-CB 3.42Å; V129-W133 PolarHBondContact O-N 2.76Å; W133-W135 HydrophobicContact CB-CD2 4.18Å; W133-W135 HydrophobicContact CB-CH2 4.38Å; W133-W135 HydrophobicContact CB-CZ2 3.74Å; W133-W135 AromaticContact CD2-CH2 3.97Å; W133-W135 HydrophobicContact CD2-CH2 3.97Å; W133-W135 AromaticContact CD2-CZ2 3.56Å; W133-W135 HydrophobicContact CD2-CZ2 3.56Å; W133-W135 AromaticContact CE3-CH2 3.57Å; W133-W135 HydrophobicContact CE3-CH2 3.57Å; W133-W135 AromaticContact CE3-CZ2 3.69Å; W133-W135 HydrophobicContact CE3-CZ2 3.69Å; W133-W135 HydrophobicContact CE3-CZ3 4.49Å; W133-W135 AromaticContact CG-CE2 3.87Å; W133-W135 HydrophobicContact CG-CH2 4.31Å; W133-W135 AromaticContact CG-CZ2 3.56Å; W133-W135 HydrophobicContact CG-CZ2 3.56Å; W133-W135 HydrophobicContact CZ3-CH2 4.15Å; W133-W135 HydrophobicContact CZ3-CZ2 4.48Å; W133-W135 PolarHBondContact O-N 3Å; W133-L136 HydrophobicContact CB-CB 4.03Å; W133-L136 HydrophobicContact CE3-CD2 4.09Å; W133-L136 VanDerWaalsContact O-CB 3.26Å; W133-L136 WeakPolarHBondContact O-CB 3.26Å; W133-L136 PolarHBondContact O-N 3.29Å
134P93.1Very high97.1Very high124 Ų12438.3 Ų38.381%0.80524%0.242SC*.THydrogen-bonded Turntrans-59.9-17.8179.9-2534.1000114.9A132 L136A132-P134 WeakPolarHBondContact O-CD 3.27Å; P134-L136 VanDerWaalsContact C-N 3.34Å
135W93.3Very high97.1Very high82 Ų8238.8 Ų38.831%0.31124%0.24SC..THydrogen-bonded Turntrans-81.6-10.9176.854.1-102.5000113.6P91 P99 W133 L137P91-W135 HydrophobicContact CB-CH2 4.05Å; P91-W135 HydrophobicContact CG-CH2 4.09Å; P91-W135 HydrophobicContact CG-CZ2 4.44Å; P99-W135 HydrophobicContact CB-CE3 4.1Å; P99-W135 HydrophobicContact CB-CH2 4.04Å; P99-W135 HydrophobicContact CB-CZ3 3.72Å; P99-W135 HydrophobicContact CG-CD2 4.01Å; P99-W135 HydrophobicContact CG-CE3 3.83Å; P99-W135 HydrophobicContact CG-CH2 3.68Å; P99-W135 HydrophobicContact CG-CZ2 3.83Å; P99-W135 HydrophobicContact CG-CZ3 3.67Å; W133-W135 HydrophobicContact CB-CD2 4.18Å; W133-W135 HydrophobicContact CB-CH2 4.38Å; W133-W135 HydrophobicContact CB-CZ2 3.74Å; W133-W135 AromaticContact CD2-CH2 3.97Å; W133-W135 HydrophobicContact CD2-CH2 3.97Å; W133-W135 AromaticContact CD2-CZ2 3.56Å; W133-W135 HydrophobicContact CD2-CZ2 3.56Å; W133-W135 AromaticContact CE3-CH2 3.57Å; W133-W135 HydrophobicContact CE3-CH2 3.57Å; W133-W135 AromaticContact CE3-CZ2 3.69Å; W133-W135 HydrophobicContact CE3-CZ2 3.69Å; W133-W135 HydrophobicContact CE3-CZ3 4.49Å; W133-W135 AromaticContact CG-CE2 3.87Å; W133-W135 HydrophobicContact CG-CH2 4.31Å; W133-W135 AromaticContact CG-CZ2 3.56Å; W133-W135 HydrophobicContact CG-CZ2 3.56Å; W133-W135 HydrophobicContact CZ3-CH2 4.15Å; W133-W135 HydrophobicContact CZ3-CZ2 4.48Å; W133-W135 PolarHBondContact O-N 3Å; W135-L137 PolarHBondContact O-N 3.49Å; W135-L137 VanDerWaalsContact O-N 3.16Å
136L96.1Very high97Very high5 Ų542.9 Ų42.93%0.02626%0.262CS..  trans-77.4103.6-172.9-176.168.8000110.5A102 V129 F130 W133 P134 R138 L139A102-L136 HydrophobicContact CB-CD1 3.63Å; V129-L136 HydrophobicContact CB-CD2 4.35Å; V129-L136 HydrophobicContact CG2-CD2 3.85Å; F130-L136 HydrophobicContact CD1-CB 4.39Å; F130-L136 HydrophobicContact CD1-CD2 3.72Å; F130-L136 HydrophobicContact CD1-CG 4.15Å; F130-L136 HydrophobicContact CE1-CB 4.47Å; F130-L136 HydrophobicContact CE1-CD2 3.64Å; F130-L136 HydrophobicContact CE1-CG 3.86Å; F130-L136 HydrophobicContact CG-CD2 4.34Å; F130-L136 HydrophobicContact CZ-CD2 4.23Å; W133-L136 HydrophobicContact CB-CB 4.03Å; W133-L136 HydrophobicContact CE3-CD2 4.09Å; W133-L136 VanDerWaalsContact O-CB 3.26Å; W133-L136 WeakPolarHBondContact O-CB 3.26Å; W133-L136 PolarHBondContact O-N 3.29Å; P134-L136 VanDerWaalsContact C-N 3.34Å; L136-R138 VanDerWaalsContact CD1-O 3.27Å; L136-R138 WeakPolarHBondContact CD1-O 3.39Å; L136-L139 HydrophobicContact CD2-CB 4.35Å
137L95.8Very high97Very high78 Ų7844.1 Ų44.141%0.40827%0.267SS..  trans-87.2-26175.3-59.2178.5000112.3F100 W135 V184 V185 T187F100-L137 HydrophobicContact CB-CD1 4.36Å; F100-L137 PolarHBondContact O-N 3.04Å; W135-L137 PolarHBondContact O-N 3.49Å; W135-L137 VanDerWaalsContact O-N 3.16Å; L137-V184 WeakPolarHBondContact O-CA 3.31Å; L137-V185 PolarHBondContact O-N 3.03Å; L137-T187 HydrophobicContact CD2-CG2 3.99Å
138R97.3Very high96.9Very high45 Ų4544 Ų4417%0.1726%0.261CS..EExtended strand (participates in β ladder)trans-142.7122.9-175.8176.4-175.1176.988.41.2112.5F100 R101 A102 L136 E140 E162 S182 I183 V184F100-R138 PolarHBondContact O-N 3.4Å; R101-R138 CarbonylContact C-O 3.58Å; R101-R138 WeakPolarHBondContact CA-O 3.42Å; R101-R138 HydrophobicContact CB-CB 3.87Å; R101-R138 HydrophobicContact CB-CG 4.27Å; R101-R138 WeakPolarHBondContact CB-O 3.26Å; A102-R138 PolarHBondContact N-O 3.33Å; L136-R138 VanDerWaalsContact CD1-O 3.27Å; L136-R138 WeakPolarHBondContact CD1-O 3.39Å; R138-E140 HydrophobicContact CG-CB 4.41Å; R138-E140 IonicContact CZ-OE2 2.74Å; R138-E140 IonicContact NE-OE2 2.84Å; R138-E140 PolarHBondContact NE-OE2 2.85Å; R138-E140 IonicContact NH2-OE2 3.22Å; R138-E162 IonicContact CZ-OE1 3.69Å; R138-E162 IonicContact CZ-OE2 3.98Å; R138-E162 IonicContact NH1-OE1 2.95Å; R138-E162 PolarHBondContact NH1-OE1 3.13Å; R138-E162 IonicContact NH1-OE2 2.96Å; R138-E162 VanDerWaalsContact NH2-CD 3.29Å; R138-E162 IonicContact NH2-OE1 3.58Å; R138-E162 PolarHBondContact NH2-OE1 2.94Å; R138-E162 IonicContact NH2-OE2 2.83Å; R138-E162 PolarHBondContact NH2-OE2 3.13Å; R138-S182 VanDerWaalsContact CZ-CB 3.49Å; R138-S182 PolarHBondContact NH1-OG 2.74Å; R138-I183 WeakPolarHBondContact CA-O 3.35Å; R138-V184 HydrophobicContact CG-CG2 4.37Å
139L98.5Very high96.9Very high1 Ų144.9 Ų44.91%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-104.3117.1165.5-175.863.1000109.1V89 A102 V104 A126 V129 F130 L136 F159 S182 I183V89-L139 HydrophobicContact CG1-CD1 3.64Å; A102-L139 HydrophobicContact CB-CD1 4.26Å; A102-L139 WeakPolarHBondContact O-CA 3.45Å; V104-L139 HydrophobicContact CB-CD1 4.32Å; A126-L139 HydrophobicContact CB-CD2 3.64Å; V129-L139 HydrophobicContact CG2-CD1 4.37Å; V129-L139 HydrophobicContact CG2-CD2 4.03Å; F130-L139 HydrophobicContact CE2-CB 4.06Å; F130-L139 HydrophobicContact CE2-CD2 4.14Å; F130-L139 HydrophobicContact CZ-CB 3.68Å; L136-L139 HydrophobicContact CD2-CB 4.35Å; L139-F159 HydrophobicContact CD2-CE1 4.41Å; L139-F159 HydrophobicContact CD2-CZ 3.73Å; L139-F159 HydrophobicContact CG-CE1 4.06Å; L139-F159 HydrophobicContact CG-CZ 3.86Å; L139-F159 WeakPolarHBondContact O-CE1 3.46Å; L139-S182 CarbonylContact O-C 3.5Å; L139-S182 VanDerWaalsContact O-CA 3.25Å; L139-S182 WeakPolarHBondContact O-CA 3.39Å; L139-I183 PolarHBondContact N-O 3.03Å; L139-I183 PolarHBondContact O-N 2.98Å
140E98.6Very high96.9Very high10 Ų1045.8 Ų45.85%0.04728%0.275CS..EExtended strand (participates in β ladder)trans-116.7159.6-175.567.2-174.7-160.600112.9R101 A102 S103 V104 R138 M180 F181R101-E140 IonicContact CZ-OE1 2.68Å; R101-E140 IonicContact CZ-OE2 2.73Å; R101-E140 IonicContact NH1-OE1 3.3Å; R101-E140 PolarHBondContact NH1-OE1 3.26Å; R101-E140 IonicContact NH1-OE2 3.33Å; R101-E140 PolarHBondContact NH1-OE2 2.89Å; A102-E140 WeakPolarHBondContact O-CG 3.48Å; A102-E140 PolarHBondContact O-N 2.95Å; S103-E140 CarbonylContact C-O 3.52Å; S103-E140 VanDerWaalsContact CA-O 3.22Å; S103-E140 WeakPolarHBondContact CA-O 3.21Å; S103-E140 PolarHBondContact OG-OE1 3Å; V104-E140 PolarHBondContact N-O 3.48Å; R138-E140 HydrophobicContact CG-CB 4.41Å; R138-E140 IonicContact CZ-OE2 2.74Å; R138-E140 IonicContact NE-OE2 2.84Å; R138-E140 PolarHBondContact NE-OE2 2.85Å; R138-E140 IonicContact NH2-OE2 3.22Å; E140-M180 HydrophobicContact CB-SD 4.01Å; E140-F181 CarbonylContact C-O 3.48Å; E140-F181 VanDerWaalsContact CA-O 3.26Å; E140-F181 WeakPolarHBondContact CA-O 3.5Å
141A98.6Very high97Very high5 Ų544.6 Ų44.64%0.04127%0.27CS..EExtended strand (participates in β ladder)trans-146.6149.1172.900000109.7V104 L154 F159 F181V104-A141 HydrophobicContact CG1-CB 3.61Å; A141-L154 HydrophobicContact CB-CD1 3.71Å; A141-L154 HydrophobicContact CB-CD2 3.42Å; A141-L154 VanDerWaalsContact CB-CD2 3.42Å; A141-L154 HydrophobicContact CB-CG 4.22Å; A141-F159 HydrophobicContact CB-CD1 4.4Å; A141-F159 HydrophobicContact CB-CE1 4.21Å; A141-F181 HydrophobicContact CB-CB 4.49Å; A141-F181 PolarHBondContact N-O 2.93Å; A141-F181 PolarHBondContact O-N 2.95Å
142V98.2Very high97Very high56 Ų5647.6 Ų47.634%0.33926%0.263SS..EExtended strand (participates in β ladder)trans-118.4134.6169.2-70.20000109.7L165 Y168 M178 V179 M180V142-L165 HydrophobicContact CG1-CD1 4.31Å; V142-Y168 HydrophobicContact CG1-CE1 4.16Å; V142-M178 HydrophobicContact CB-CB 4.08Å; V142-M178 HydrophobicContact CB-CE 4Å; V142-M178 HydrophobicContact CG1-CB 4.4Å; V142-M178 HydrophobicContact CG2-CE 3.71Å; V142-V179 WeakPolarHBondContact CA-O 3.38Å; V142-M180 HydrophobicContact CG1-CE 3.56Å; V142-M180 HydrophobicContact CG1-SD 3.97Å
143A98.1Very high97.2Very high3 Ų345.7 Ų45.73%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-120.8137.617200000109.5V145 Q151 L154 M178 V179 F181A143-V145 PolarHBondContact O-N 3.03Å; A143-Q151 HydrophobicContact CB-CG 3.76Å; A143-L154 HydrophobicContact CB-CD1 4.1Å; A143-M178 CarbonylContact O-C 3.57Å; A143-M178 WeakPolarHBondContact O-CA 3.42Å; A143-V179 PolarHBondContact N-O 3.37Å; A143-V179 PolarHBondContact O-N 2.97Å; A143-F181 HydrophobicContact CB-CE2 4.26Å
144D97.8Very high97.3Very high3 Ų344 Ų442%0.01624%0.239CC..EExtended strand (participates in β ladder)trans-56.2139.3174.4-169.2-66.2000110.4F44 D146 N147 Q151 R176 M178F44-D144 HydrophobicContact CB-CB 4.43Å; F44-D144 HydrophobicContact CD1-CB 3.71Å; F44-D144 HydrophobicContact CE1-CB 4.24Å; F44-D144 HydrophobicContact CG-CB 4.23Å; D144-D146 PolarHBondContact O-N 3.24Å; D144-D146 WeakPolarHBondContact OD1-CB 3.5Å; D144-D146 PolarHBondContact OD1-N 3.04Å; D144-N147 HydrophobicContact CB-CB 4.09Å; D144-N147 WeakPolarHBondContact O-CA 3.34Å; D144-N147 WeakPolarHBondContact O-CB 3.31Å; D144-N147 PolarHBondContact O-N 3.15Å; D144-Q151 PolarHBondContact O-NE2 3.49Å; D144-R176 IonicContact OD1-CZ 3.57Å; D144-R176 IonicContact OD1-NE 2.72Å; D144-R176 IonicContact OD1-NH2 3.67Å; D144-R176 PolarHBondContact OD1-NH2 3.2Å; D144-R176 IonicContact OD2-CZ 3.71Å; D144-R176 IonicContact OD2-NE 3.86Å; D144-R176 PolarHBondContact OD2-NE 2.77Å; D144-R176 IonicContact OD2-NH2 3.05Å; D144-R176 PolarHBondContact OD2-NH2 2.75Å; D144-M178 HydrophobicContact CB-SD 4.09Å
145V97.6Very high97.5Very high52 Ų5242.4 Ų42.432%0.31522%0.221SC..THydrogen-bonded Turntrans-57.2-31.4-180-69.60000112.4A143 N147 Q151 V164 D177 V179A143-V145 PolarHBondContact O-N 3.03Å; V145-N147 PolarHBondContact O-N 3.39Å; V145-Q151 PolarHBondContact O-NE2 3.14Å; V145-Q151 VanDerWaalsContact O-NE2 3.13Å; V145-V164 HydrophobicContact CG1-CG1 4.09Å; V145-D177 HydrophobicContact CG1-CB 3.77Å; V145-D177 HydrophobicContact CG2-CB 3.92Å; V145-D177 PolarHBondContact N-O 3.02Å; V145-V179 HydrophobicContact CG1-CG2 3.82Å
146D96.8Very high97.8Very high86 Ų8644.9 Ų44.946%0.4623%0.233SC..THydrogen-bonded Turntrans-84.46.8177.4-60.8-36.2000113F44 D144 P148 R176F44-D146 HydrophobicContact CE1-CB 4.04Å; F44-D146 HydrophobicContact CZ-CB 4.37Å; F44-D146 WeakPolarHBondContact CZ-O 3.24Å; D144-D146 PolarHBondContact O-N 3.24Å; D144-D146 WeakPolarHBondContact OD1-CB 3.5Å; D144-D146 PolarHBondContact OD1-N 3.04Å; D146-P148 WeakPolarHBondContact O-CD 3.34Å; D146-R176 IonicContact OD2-CZ 2.66Å; D146-R176 VanDerWaalsContact OD2-CZ 3.29Å; D146-R176 IonicContact OD2-NH1 3.17Å; D146-R176 PolarHBondContact OD2-NH1 3.12Å; D146-R176 IonicContact OD2-NH2 3.61Å; D146-R176 PolarHBondContact OD2-NH2 2.9Å
147N97Very high97.9Very high34 Ų3445.1 Ų45.118%0.18224%0.236CC..  trans-115.267.1179.6-168.1-5.2000112.4F44 D144 V145 A149 S150 Q151F44-N147 HydrophobicContact CD1-CB 4.43Å; F44-N147 HydrophobicContact CD2-CB 3.88Å; F44-N147 VanDerWaalsContact CD2-ND2 3.26Å; F44-N147 WeakPolarHBondContact CD2-ND2 3.25Å; F44-N147 HydrophobicContact CE1-CB 4.26Å; F44-N147 HydrophobicContact CE2-CB 3.68Å; F44-N147 HydrophobicContact CG-CB 4.24Å; F44-N147 HydrophobicContact CZ-CB 3.87Å; D144-N147 HydrophobicContact CB-CB 4.09Å; D144-N147 WeakPolarHBondContact O-CA 3.34Å; D144-N147 WeakPolarHBondContact O-CB 3.31Å; D144-N147 PolarHBondContact O-N 3.15Å; V145-N147 PolarHBondContact O-N 3.39Å; N147-A149 PolarHBondContact O-N 3.28Å; N147-A149 VanDerWaalsContact O-N 3.15Å; N147-S150 WeakPolarHBondContact ND2-CB 3.48Å; N147-S150 PolarHBondContact O-N 3.29Å; N147-S150 VanDerWaalsContact O-N 3.14Å; N147-S150 PolarHBondContact OD1-N 3.42Å; N147-S150 VanDerWaalsContact OD1-N 3.14Å; N147-Q151 WeakPolarHBondContact O-CG 3.24Å; N147-Q151 PolarHBondContact O-N 2.82Å
148P97.3Very high98Very high64 Ų6443.9 Ų43.942%0.41624%0.242SC..Hα-helixtrans-64-21.7-179.527.1-35.9000113D146 R152D146-P148 WeakPolarHBondContact O-CD 3.34Å; P148-R152 WeakPolarHBondContact O-CG 3.47Å; P148-R152 PolarHBondContact O-N 3.14Å; P148-R152 VanDerWaalsContact O-N 3.08Å
149A97.4Very high98Very high59 Ų5942.1 Ų42.149%0.48824%0.236SC..Hα-helixtrans-66.2-44.3175.300000111.5N147 V153N147-A149 PolarHBondContact O-N 3.28Å; N147-A149 VanDerWaalsContact O-N 3.15Å; A149-V153 WeakPolarHBondContact O-CG2 3.44Å; A149-V153 PolarHBondContact O-N 3.08Å
150S97.4Very high98Very high19 Ų1944.9 Ų44.913%0.13326%0.259CS..Hα-helixtrans-68.3-39.2176.6-165.20000112.1Y106 N147 R152 V153 L154Y106-S150 PolarHBondContact OH-O 3.4Å; Y106-S150 VanDerWaalsContact OH-O 3.1Å; Y106-S150 PolarHBondContact OH-OG 2.66Å; N147-S150 WeakPolarHBondContact ND2-CB 3.48Å; N147-S150 PolarHBondContact O-N 3.29Å; N147-S150 VanDerWaalsContact O-N 3.14Å; N147-S150 PolarHBondContact OD1-N 3.42Å; N147-S150 VanDerWaalsContact OD1-N 3.14Å; S150-R152 PolarHBondContact O-N 3.02Å; S150-V153 WeakPolarHBondContact O-CB 3.43Å; S150-V153 PolarHBondContact O-N 2.84Å; S150-V153 VanDerWaalsContact O-N 3.14Å; S150-L154 PolarHBondContact O-N 3.08Å; S150-L154 VanDerWaalsContact O-N 3.14Å
151Q98.4Very high98Very high29 Ų2951.3 Ų51.314%0.13628%0.283CS..Hα-helixtrans-58-49175.9-64.5173.633.700110.9A143 D144 V145 N147 V153 L154 E155 F181A143-Q151 HydrophobicContact CB-CG 3.76Å; D144-Q151 PolarHBondContact O-NE2 3.49Å; V145-Q151 PolarHBondContact O-NE2 3.14Å; V145-Q151 VanDerWaalsContact O-NE2 3.13Å; N147-Q151 WeakPolarHBondContact O-CG 3.24Å; N147-Q151 PolarHBondContact O-N 2.82Å; Q151-V153 VanDerWaalsContact C-N 3.27Å; Q151-V153 PolarHBondContact O-N 2.8Å; Q151-L154 PolarHBondContact O-N 3.03Å; Q151-L154 VanDerWaalsContact O-N 3.12Å; Q151-E155 WeakPolarHBondContact O-CG 3.37Å; Q151-E155 PolarHBondContact O-N 3.14Å; Q151-F181 HydrophobicContact CB-CE2 4.21Å; Q151-F181 HydrophobicContact CB-CZ 3.79Å; Q151-F181 HydrophobicContact CG-CE2 3.94Å; Q151-F181 HydrophobicContact CG-CZ 3.94Å
152R98.4Very high98Very high147 Ų14755.7 Ų55.756%0.55530%0.302SS*.Hα-helixtrans-60.9-32.5175.5-73.9-177.7-122.8157.6-4.9113.7P148 S150 K156P148-R152 WeakPolarHBondContact O-CG 3.47Å; P148-R152 PolarHBondContact O-N 3.14Å; P148-R152 VanDerWaalsContact O-N 3.08Å; S150-R152 PolarHBondContact O-N 3.02Å; R152-K156 VanDerWaalsContact O-CB 3.31Å; R152-K156 WeakPolarHBondContact O-CB 3.45Å; R152-K156 VanDerWaalsContact O-CG 3.25Å; R152-K156 WeakPolarHBondContact O-CG 3.38Å; R152-K156 PolarHBondContact O-N 3.27Å
153V98.6Very high98Very high22 Ų2254.1 Ų54.113%0.13330%0.298CS..Hα-helixtrans-64.3-45.9175.8164.30000110.3Y106 A118 V122 A149 S150 Q151 A157Y106-V153 HydrophobicContact CE1-CG1 4.3Å; Y106-V153 HydrophobicContact CE2-CG1 3.97Å; Y106-V153 WeakPolarHBondContact OH-CB 3.44Å; Y106-V153 VanDerWaalsContact OH-CG1 3.27Å; Y106-V153 WeakPolarHBondContact OH-CG1 3.47Å; A118-V153 HydrophobicContact CB-CG1 3.92Å; A118-V153 HydrophobicContact CB-CG2 3.95Å; V122-V153 HydrophobicContact CG2-CG1 4.11Å; A149-V153 WeakPolarHBondContact O-CG2 3.44Å; A149-V153 PolarHBondContact O-N 3.08Å; S150-V153 WeakPolarHBondContact O-CB 3.43Å; S150-V153 PolarHBondContact O-N 2.84Å; S150-V153 VanDerWaalsContact O-N 3.14Å; Q151-V153 VanDerWaalsContact C-N 3.27Å; Q151-V153 PolarHBondContact O-N 2.8Å; V153-A157 VanDerWaalsContact O-CB 3.26Å; V153-A157 WeakPolarHBondContact O-CB 3.3Å; V153-A157 PolarHBondContact O-N 3.19Å
154L98.7Very high98Very high1 Ų157.2 Ų57.21%0.00532%0.316CS..Hα-helixtrans-64.9-47.7-179.9-68.7167.3000111.7Y106 A141 A143 S150 Q151 K156 A157 G158 F159 F181Y106-L154 HydrophobicContact CE1-CD2 4.04Å; A141-L154 HydrophobicContact CB-CD1 3.71Å; A141-L154 HydrophobicContact CB-CD2 3.42Å; A141-L154 VanDerWaalsContact CB-CD2 3.42Å; A141-L154 HydrophobicContact CB-CG 4.22Å; A143-L154 HydrophobicContact CB-CD1 4.1Å; S150-L154 PolarHBondContact O-N 3.08Å; S150-L154 VanDerWaalsContact O-N 3.14Å; Q151-L154 PolarHBondContact O-N 3.03Å; Q151-L154 VanDerWaalsContact O-N 3.12Å; L154-K156 PolarHBondContact O-N 3.24Å; L154-A157 CarbonylContact O-C 3.53Å; L154-A157 WeakPolarHBondContact O-CA 3.35Å; L154-A157 WeakPolarHBondContact O-CB 3.32Å; L154-A157 PolarHBondContact O-N 2.97Å; L154-G158 PolarHBondContact O-N 3.24Å; L154-F159 HydrophobicContact CB-CB 4.25Å; L154-F159 HydrophobicContact CB-CG 4.47Å; L154-F159 HydrophobicContact CD2-CD1 4.33Å; L154-F159 HydrophobicContact CD2-CD2 4.29Å; L154-F159 HydrophobicContact CD2-CE1 4.48Å; L154-F159 HydrophobicContact CD2-CE2 4.45Å; L154-F159 HydrophobicContact CD2-CG 4.26Å; L154-F159 WeakPolarHBondContact O-CB 3.28Å; L154-F159 PolarHBondContact O-N 2.86Å; L154-F181 HydrophobicContact CB-CB 4.32Å; L154-F181 HydrophobicContact CB-CD1 4.04Å; L154-F181 HydrophobicContact CB-CD2 4.34Å; L154-F181 HydrophobicContact CB-CE1 4.45Å; L154-F181 HydrophobicContact CB-CG 3.99Å; L154-F181 HydrophobicContact CD1-CB 4.11Å; L154-F181 HydrophobicContact CD1-CD2 3.45Å; L154-F181 VanDerWaalsContact CD1-CD2 3.45Å; L154-F181 HydrophobicContact CD1-CE2 3.95Å; L154-F181 HydrophobicContact CD1-CG 3.83Å
155E98.5Very high98.1Very high90 Ų9059.6 Ų59.642%0.42133%0.328SS..Hα-helixtrans-56.9-50.4175.8-68.2169165.600111.1Q151 A157 G158 F181Q151-E155 WeakPolarHBondContact O-CG 3.37Å; Q151-E155 PolarHBondContact O-N 3.14Å; E155-A157 PolarHBondContact O-N 2.95Å; E155-G158 PolarHBondContact O-N 3.23Å; E155-F181 HydrophobicContact CG-CD1 4.45Å; E155-F181 HydrophobicContact CG-CE1 3.71Å
156K98.2Very high98.1Very high134 Ų13467.1 Ų67.158%0.58335%0.351SS*.Hα-helixtrans-64.9-26.2176.6-71.2-178.2176.6-170.10112.3T119 R123 R152 L154 G158T119-K156 HydrophobicContact CG2-CB 3.65Å; R123-K156 PolarHBondContact NE-O 3.22Å; R123-K156 PolarHBondContact NH2-O 3.43Å; R152-K156 VanDerWaalsContact O-CB 3.31Å; R152-K156 WeakPolarHBondContact O-CB 3.45Å; R152-K156 VanDerWaalsContact O-CG 3.25Å; R152-K156 WeakPolarHBondContact O-CG 3.38Å; R152-K156 PolarHBondContact O-N 3.27Å; L154-K156 PolarHBondContact O-N 3.24Å; K156-G158 PolarHBondContact O-N 2.74Å
157A98.3Very high98.1Very high9 Ų970.5 Ų70.57%0.07436%0.362CS..THydrogen-bonded Turntrans-77.1-4.7176.300000113.3T119 V122 R123 V153 L154 E155 F159T119-A157 HydrophobicContact CG2-CB 4.48Å; V122-A157 HydrophobicContact CB-CB 3.92Å; V122-A157 HydrophobicContact CG1-CB 3.52Å; R123-A157 HydrophobicContact CG-CB 3.97Å; V153-A157 VanDerWaalsContact O-CB 3.26Å; V153-A157 WeakPolarHBondContact O-CB 3.3Å; V153-A157 PolarHBondContact O-N 3.19Å; L154-A157 CarbonylContact O-C 3.53Å; L154-A157 WeakPolarHBondContact O-CA 3.35Å; L154-A157 WeakPolarHBondContact O-CB 3.32Å; L154-A157 PolarHBondContact O-N 2.97Å; E155-A157 PolarHBondContact O-N 2.95Å; A157-F159 HydrophobicContact CB-CD2 4.08Å; A157-F159 HydrophobicContact CB-CE2 4.3Å
158G98Very high98.1Very high53 Ų5374.9 Ų74.955%0.54638%0.377SS..THydrogen-bonded Turntrans99.27.6178.300000114L154 E155 K156L154-G158 PolarHBondContact O-N 3.24Å; E155-G158 PolarHBondContact O-N 3.23Å; K156-G158 PolarHBondContact O-N 2.74Å
159F98.6Very high98Very high8 Ų872.5 Ų72.54%0.03536%0.361CS..PPolyproline II helixtrans-78.8135.4175.2-69.2-118.5000110.5V104 V122 L139 A141 L154 A157 F181 S182 I183V104-F159 HydrophobicContact CG1-CE1 3.94Å; V104-F159 HydrophobicContact CG1-CZ 3.74Å; V122-F159 HydrophobicContact CG1-CD2 4.39Å; V122-F159 HydrophobicContact CG1-CE2 3.6Å; V122-F159 HydrophobicContact CG1-CZ 4.22Å; L139-F159 HydrophobicContact CD2-CE1 4.41Å; L139-F159 HydrophobicContact CD2-CZ 3.73Å; L139-F159 HydrophobicContact CG-CE1 4.06Å; L139-F159 HydrophobicContact CG-CZ 3.86Å; L139-F159 WeakPolarHBondContact O-CE1 3.46Å; A141-F159 HydrophobicContact CB-CD1 4.4Å; A141-F159 HydrophobicContact CB-CE1 4.21Å; L154-F159 HydrophobicContact CB-CB 4.25Å; L154-F159 HydrophobicContact CB-CG 4.47Å; L154-F159 HydrophobicContact CD2-CD1 4.33Å; L154-F159 HydrophobicContact CD2-CD2 4.29Å; L154-F159 HydrophobicContact CD2-CE1 4.48Å; L154-F159 HydrophobicContact CD2-CE2 4.45Å; L154-F159 HydrophobicContact CD2-CG 4.26Å; L154-F159 WeakPolarHBondContact O-CB 3.28Å; L154-F159 PolarHBondContact O-N 2.86Å; A157-F159 HydrophobicContact CB-CD2 4.08Å; A157-F159 HydrophobicContact CB-CE2 4.3Å; F159-F181 HydrophobicContact CB-CB 3.89Å; F159-F181 HydrophobicContact CB-CD1 4.44Å; F159-F181 HydrophobicContact CD1-CB 4.12Å; F159-F181 HydrophobicContact CG-CB 4.42Å; F159-S182 CarbonylContact C-O 3.46Å; F159-S182 VanDerWaalsContact CA-O 3.32Å; F159-S182 WeakPolarHBondContact CA-O 3.25Å; F159-I183 HydrophobicContact CB-CG1 4.37Å; F159-I183 HydrophobicContact CD1-CG1 4.12Å; F159-I183 HydrophobicContact CD2-CD1 3.65Å; F159-I183 HydrophobicContact CD2-CG1 3.88Å; F159-I183 HydrophobicContact CE1-CG1 4.35Å; F159-I183 HydrophobicContact CE2-CD1 3.54Å; F159-I183 HydrophobicContact CE2-CG1 4.1Å; F159-I183 HydrophobicContact CG-CD1 4.18Å; F159-I183 HydrophobicContact CG-CG1 3.86Å; F159-I183 HydrophobicContact CZ-CD1 4Å; F159-I183 HydrophobicContact CZ-CG1 4.33Å
160A98.4Very high97.9Very high59 Ų5975 Ų7549%0.48837%0.366SS..EExtended strand (participates in β ladder)trans-77.7138.1169.900000110.5F181 S182A160-F181 CarbonylContact O-C 3.58Å; A160-F181 WeakPolarHBondContact O-CA 3.44Å; A160-S182 PolarHBondContact N-O 3.15Å; A160-S182 PolarHBondContact O-N 3.13Å
161R98.5Very high97.7Very high145 Ų14574.8 Ų74.855%0.54736%0.363SS..EExtended strand (participates in β ladder)trans-80.4122.1172.1-177.5179.7179.7-92.31.4109.5V179 F181R161-V179 HydrophobicContact CG-CG1 3.86Å; R161-F181 HydrophobicContact CB-CD1 3.98Å; R161-F181 HydrophobicContact CB-CE1 3.65Å; R161-F181 HydrophobicContact CB-CZ 4.44Å; R161-F181 HydrophobicContact CG-CD1 4.48Å; R161-F181 HydrophobicContact CG-CE1 3.92Å; R161-F181 HydrophobicContact CG-CZ 4.22Å
162E98.4Very high97.4Very high96 Ų9677.9 Ų77.945%0.44938%0.376SS..EExtended strand (participates in β ladder)trans-99.7-45.6-176-62.7-173.216400113.4R138 M180 S182R138-E162 IonicContact CZ-OE1 3.69Å; R138-E162 IonicContact CZ-OE2 3.98Å; R138-E162 IonicContact NH1-OE1 2.95Å; R138-E162 PolarHBondContact NH1-OE1 3.13Å; R138-E162 IonicContact NH1-OE2 2.96Å; R138-E162 VanDerWaalsContact NH2-CD 3.29Å; R138-E162 IonicContact NH2-OE1 3.58Å; R138-E162 PolarHBondContact NH2-OE1 2.94Å; R138-E162 IonicContact NH2-OE2 2.83Å; R138-E162 PolarHBondContact NH2-OE2 3.13Å; E162-M180 HydrophobicContact CB-CB 4.41Å; E162-M180 HydrophobicContact CB-CG 4.21Å; E162-M180 HydrophobicContact CG-CG 4.49Å; E162-M180 PolarHBondContact N-O 3.2Å; E162-M180 WeakPolarHBondContact OE2-CG 3.39Å; E162-S182 VanDerWaalsContact OE1-CB 3.23Å; E162-S182 WeakPolarHBondContact OE1-CB 3.17Å; E162-S182 PolarHBondContact OE1-OG 3.14Å
163G98.2Very high97.1Very high24 Ų2473.8 Ų73.825%0.24738%0.38CS..EExtended strand (participates in β ladder)trans174.1178.6-17400000114.5V179 M180G163-V179 WeakPolarHBondContact O-CA 3.48Å; G163-M180 PolarHBondContact O-N 2.9Å
164V98.5Very high96.8Very high68 Ų6878.8 Ų78.841%0.41240%0.401SS..EExtended strand (participates in β ladder)trans-104.3121.4176.8-179.20000109.8V145 D177 M178 V179V145-V164 HydrophobicContact CG1-CG1 4.09Å; V164-D177 HydrophobicContact CG1-CB 4.22Å; V164-M178 CarbonylContact C-O 3.5Å; V164-M178 WeakPolarHBondContact CA-O 3.26Å; V164-V179 HydrophobicContact CG2-CG2 4.42Å
165L98.4Very high96.7Very high52 Ų5281.6 Ų81.627%0.27242%0.42SS..EExtended strand (participates in β ladder)trans-91.7108.8173.3-53179.7000108.9V142 Y168 D177 M178 M180V142-L165 HydrophobicContact CG1-CD1 4.31Å; L165-Y168 HydrophobicContact CB-CD2 3.93Å; L165-Y168 HydrophobicContact CB-CG 3.76Å; L165-Y168 HydrophobicContact CD1-CD1 3.97Å; L165-Y168 HydrophobicContact CD1-CD2 3.68Å; L165-Y168 HydrophobicContact CD1-CE1 4.03Å; L165-Y168 HydrophobicContact CD1-CE2 3.75Å; L165-Y168 HydrophobicContact CD1-CG 3.78Å; L165-Y168 HydrophobicContact CG-CD2 4.39Å; L165-Y168 HydrophobicContact CG-CG 4.44Å; L165-D177 WeakPolarHBondContact O-CA 3.3Å; L165-M178 PolarHBondContact N-O 3.13Å; L165-M178 PolarHBondContact O-N 3.19Å; L165-M180 HydrophobicContact CD1-CB 4.18Å; L165-M180 HydrophobicContact CD1-CE 3.64Å; L165-M180 HydrophobicContact CG-CB 4.27Å
166R98.2Very high96.7Very high210 Ų21080.1 Ų80.179%0.79241%0.41SS*.EExtended strand (participates in β ladder)trans-76.6132.8-177.7-62.3-173.1-63.3169.3-0.1111.3Y168 D177R166-Y168 PolarHBondContact O-N 2.74Å; R166-Y168 VanDerWaalsContact O-N 3.13Å; R166-D177 WeakPolarHBondContact CA-OD1 3.2Å
167K96.9Very high96.7Very high158 Ų15876.4 Ų76.469%0.68740%0.397SS*.EExtended strand (participates in β ladder)trans47.637.9-179.3-56.9-174.6178.9179.10113.1V169 P175 R176 D177K167-V169 PolarHBondContact O-N 2.92Å; K167-P175 HydrophobicContact CB-CB 4.11Å; K167-P175 HydrophobicContact CD-CB 4.37Å; K167-P175 HydrophobicContact CG-CB 4.08Å; K167-R176 CarbonylContact C-O 3.54Å; K167-R176 WeakPolarHBondContact CA-O 3.27Å; K167-D177 PolarHBondContact N-OD1 3.07Å
168Y97.3Very high96.7Very high125 Ų12576.7 Ų76.749%0.4940%0.397SS..EExtended strand (participates in β ladder)trans-71.4-31.2-170.4-177.5-111.4000113.2V142 L165 R166 R176 M178V142-Y168 HydrophobicContact CG1-CE1 4.16Å; L165-Y168 HydrophobicContact CB-CD2 3.93Å; L165-Y168 HydrophobicContact CB-CG 3.76Å; L165-Y168 HydrophobicContact CD1-CD1 3.97Å; L165-Y168 HydrophobicContact CD1-CD2 3.68Å; L165-Y168 HydrophobicContact CD1-CE1 4.03Å; L165-Y168 HydrophobicContact CD1-CE2 3.75Å; L165-Y168 HydrophobicContact CD1-CG 3.78Å; L165-Y168 HydrophobicContact CG-CD2 4.39Å; L165-Y168 HydrophobicContact CG-CG 4.44Å; R166-Y168 PolarHBondContact O-N 2.74Å; R166-Y168 VanDerWaalsContact O-N 3.13Å; Y168-R176 PolarHBondContact N-O 2.88Å; Y168-M178 HydrophobicContact CD1-CB 4.24Å; Y168-M178 HydrophobicContact CD1-CG 3.96Å; Y168-M178 HydrophobicContact CG-CG 4.49Å
169V94.9Very high96.7Very high15 Ų1574.4 Ų74.49%0.09137%0.372CS..EExtended strand (participates in β ladder)trans-136.5142.5-177.864.50000111.3K167 L171 R176 M178K167-V169 PolarHBondContact O-N 2.92Å; V169-L171 HydrophobicContact CG1-CD1 4.33Å; V169-L171 HydrophobicContact CG1-CD2 4.26Å; V169-L171 HydrophobicContact CG1-CG 3.95Å; V169-L171 HydrophobicContact CG2-CD2 3.69Å; V169-L171 HydrophobicContact CG2-CG 4.18Å; V169-R176 HydrophobicContact CG1-CB 4.09Å; V169-R176 PolarHBondContact N-O 3.46Å; V169-R176 PolarHBondContact O-N 3.21Å; V169-M178 HydrophobicContact CG1-CE 3.92Å; V169-M178 HydrophobicContact CG1-CG 3.69Å; V169-M178 HydrophobicContact CG1-SD 3.58Å; V169-M178 VanDerWaalsContact CG1-SD 3.58Å
170L94.5Very high96.7Very high111 Ų11174.6 Ų74.658%0.58137%0.373SS*.EExtended strand (participates in β ladder)trans-88.7114.5164-69.9170.9000109.1R46 Q174 P175R46-L170 PolarHBondContact NH1-O 2.75Å; L170-Q174 WeakPolarHBondContact CA-O 3.39Å; L170-P175 HydrophobicContact CD2-CB 4.08Å
171L93.3Very high96.7Very high14 Ų1471.8 Ų71.87%0.07335%0.35CS..EExtended strand (participates in β ladder)trans-113.3118.9170.4-58.8-176.1000108.1R46 V169 G173 Q174 R176R46-L171 HydrophobicContact CG-CD2 3.7Å; V169-L171 HydrophobicContact CG1-CD1 4.33Å; V169-L171 HydrophobicContact CG1-CD2 4.26Å; V169-L171 HydrophobicContact CG1-CG 3.95Å; V169-L171 HydrophobicContact CG2-CD2 3.69Å; V169-L171 HydrophobicContact CG2-CG 4.18Å; L171-G173 VanDerWaalsContact C-N 3.26Å; L171-G173 PolarHBondContact O-N 2.73Å; L171-Q174 PolarHBondContact N-O 3.44Å; L171-Q174 PolarHBondContact O-N 3.5Å; L171-R176 HydrophobicContact CB-CG 4.02Å; L171-R176 HydrophobicContact CD1-CG 4.11Å; L171-R176 HydrophobicContact CG-CG 4.08Å
172K91.9Very high96.7Very high95 Ų9565.1 Ų65.141%0.41333%0.326SS..THydrogen-bonded Turntrans52.244.5177.2-50.8-176.6-175.4-154.90112.8Q45 D48 Q174Q45-K172 VanDerWaalsContact O-CE 3.3Å; Q45-K172 WeakPolarHBondContact O-CE 3.31Å; D48-K172 WeakPolarHBondContact OD1-CD 3.31Å; D48-K172 VanDerWaalsContact OD1-CE 3.28Å; D48-K172 WeakPolarHBondContact OD1-CE 3.49Å; D48-K172 IonicContact OD1-NZ 3.83Å; D48-K172 PolarHBondContact OD1-NZ 3.5Å; K172-Q174 PolarHBondContact O-N 2.9Å
173G92.8Very high96.7Very high61 Ų6162.5 Ų62.563%0.62931%0.314SS*.THydrogen-bonded Turntrans77-6.2-179.200000115.6L171L171-G173 VanDerWaalsContact C-N 3.26Å; L171-G173 PolarHBondContact O-N 2.73Å
174Q93.2Very high96.7Very high126 Ų12665.3 Ų65.359%0.58933%0.327SS*.EExtended strand (participates in β ladder)trans-102129.9-178.9-61.3-59.8-38.200110.8L170 L171 K172L170-Q174 WeakPolarHBondContact CA-O 3.39Å; L171-Q174 PolarHBondContact N-O 3.44Å; L171-Q174 PolarHBondContact O-N 3.5Å; K172-Q174 PolarHBondContact O-N 2.9Å
175P96.3Very high96.4Very high61 Ų6164.9 Ų64.940%0.39632%0.324SS..EExtended strand (participates in β ladder)trans-68.9131.6170.428.9-32.5000109.7K167 L170K167-P175 HydrophobicContact CB-CB 4.11Å; K167-P175 HydrophobicContact CD-CB 4.37Å; K167-P175 HydrophobicContact CG-CB 4.08Å; L170-P175 HydrophobicContact CD2-CB 4.08Å
176R97.1Very high95.9Very high59 Ų5970.3 Ų70.322%0.22335%0.348CS..EExtended strand (participates in β ladder)trans-123140.1-177.3-55.7-70.6-74170.1-2.8110.7D144 D146 K167 Y168 V169 L171 M178D144-R176 IonicContact OD1-CZ 3.57Å; D144-R176 IonicContact OD1-NE 2.72Å; D144-R176 IonicContact OD1-NH2 3.67Å; D144-R176 PolarHBondContact OD1-NH2 3.2Å; D144-R176 IonicContact OD2-CZ 3.71Å; D144-R176 IonicContact OD2-NE 3.86Å; D144-R176 PolarHBondContact OD2-NE 2.77Å; D144-R176 IonicContact OD2-NH2 3.05Å; D144-R176 PolarHBondContact OD2-NH2 2.75Å; D146-R176 IonicContact OD2-CZ 2.66Å; D146-R176 VanDerWaalsContact OD2-CZ 3.29Å; D146-R176 IonicContact OD2-NH1 3.17Å; D146-R176 PolarHBondContact OD2-NH1 3.12Å; D146-R176 IonicContact OD2-NH2 3.61Å; D146-R176 PolarHBondContact OD2-NH2 2.9Å; K167-R176 CarbonylContact C-O 3.54Å; K167-R176 WeakPolarHBondContact CA-O 3.27Å; Y168-R176 PolarHBondContact N-O 2.88Å; V169-R176 HydrophobicContact CG1-CB 4.09Å; V169-R176 PolarHBondContact N-O 3.46Å; V169-R176 PolarHBondContact O-N 3.21Å; L171-R176 HydrophobicContact CB-CG 4.02Å; L171-R176 HydrophobicContact CD1-CG 4.11Å; L171-R176 HydrophobicContact CG-CG 4.08Å; R176-M178 HydrophobicContact CB-SD 4.48Å
177D98.2Very high95.3Very high56 Ų5662.5 Ų62.530%0.29932%0.323SS..EExtended strand (participates in β ladder)trans-83141.5169.9-71.27.8000109.2V145 V164 L165 R166 K167V145-D177 HydrophobicContact CG1-CB 3.77Å; V145-D177 HydrophobicContact CG2-CB 3.92Å; V145-D177 PolarHBondContact N-O 3.02Å; V164-D177 HydrophobicContact CG1-CB 4.22Å; L165-D177 WeakPolarHBondContact O-CA 3.3Å; R166-D177 WeakPolarHBondContact CA-OD1 3.2Å; K167-D177 PolarHBondContact N-OD1 3.07Å
178M98.4Very high94.4Very high15 Ų1561.9 Ų61.97%0.07432%0.323CS..EExtended strand (participates in β ladder)trans-127.4138.9-176.2-56.1-64.5-89.200110.4V142 A143 D144 V164 L165 Y168 V169 R176V142-M178 HydrophobicContact CB-CB 4.08Å; V142-M178 HydrophobicContact CB-CE 4Å; V142-M178 HydrophobicContact CG1-CB 4.4Å; V142-M178 HydrophobicContact CG2-CE 3.71Å; A143-M178 CarbonylContact O-C 3.57Å; A143-M178 WeakPolarHBondContact O-CA 3.42Å; D144-M178 HydrophobicContact CB-SD 4.09Å; V164-M178 CarbonylContact C-O 3.5Å; V164-M178 WeakPolarHBondContact CA-O 3.26Å; L165-M178 PolarHBondContact N-O 3.13Å; L165-M178 PolarHBondContact O-N 3.19Å; Y168-M178 HydrophobicContact CD1-CB 4.24Å; Y168-M178 HydrophobicContact CD1-CG 3.96Å; Y168-M178 HydrophobicContact CG-CG 4.49Å; V169-M178 HydrophobicContact CG1-CE 3.92Å; V169-M178 HydrophobicContact CG1-CG 3.69Å; V169-M178 HydrophobicContact CG1-SD 3.58Å; V169-M178 VanDerWaalsContact CG1-SD 3.58Å; R176-M178 HydrophobicContact CB-SD 4.48Å
179V98.6Very high93.5Very high4 Ų464.7 Ų64.72%0.02434%0.341CS..EExtended strand (participates in β ladder)trans-87.9123.4168.8-171.20000108.3V142 A143 V145 R161 G163 V164 F181V142-V179 WeakPolarHBondContact CA-O 3.38Å; A143-V179 PolarHBondContact N-O 3.37Å; A143-V179 PolarHBondContact O-N 2.97Å; V145-V179 HydrophobicContact CG1-CG2 3.82Å; R161-V179 HydrophobicContact CG-CG1 3.86Å; G163-V179 WeakPolarHBondContact O-CA 3.48Å; V164-V179 HydrophobicContact CG2-CG2 4.42Å; V179-F181 HydrophobicContact CB-CD2 4.43Å; V179-F181 HydrophobicContact CB-CE2 3.66Å; V179-F181 HydrophobicContact CB-CZ 4.24Å; V179-F181 HydrophobicContact CG1-CD2 4.16Å; V179-F181 HydrophobicContact CG1-CE1 4.48Å; V179-F181 HydrophobicContact CG1-CE2 3.39Å; V179-F181 HydrophobicContact CG1-CZ 3.58Å; V179-F181 WeakPolarHBondContact O-CD2 3.5Å
180M98.7Very high92.8Very high13 Ų1368.6 Ų68.66%0.06436%0.361CS..EExtended strand (participates in β ladder)trans-85.7136.5176.4177.861.47400110.7E140 V142 E162 G163 L165E140-M180 HydrophobicContact CB-SD 4.01Å; V142-M180 HydrophobicContact CG1-CE 3.56Å; V142-M180 HydrophobicContact CG1-SD 3.97Å; E162-M180 HydrophobicContact CB-CB 4.41Å; E162-M180 HydrophobicContact CB-CG 4.21Å; E162-M180 HydrophobicContact CG-CG 4.49Å; E162-M180 PolarHBondContact N-O 3.2Å; E162-M180 WeakPolarHBondContact OE2-CG 3.39Å; G163-M180 PolarHBondContact O-N 2.9Å; L165-M180 HydrophobicContact CD1-CB 4.18Å; L165-M180 HydrophobicContact CD1-CE 3.64Å; L165-M180 HydrophobicContact CG-CB 4.27Å
181F98.8Very high91.7Very high0 Ų068.3 Ų68.30%036%0.355CS..EExtended strand (participates in β ladder)trans-132.1147.7176.3-66.9-92000110.3E140 A141 A143 Q151 L154 E155 F159 A160 R161 V179E140-F181 CarbonylContact C-O 3.48Å; E140-F181 VanDerWaalsContact CA-O 3.26Å; E140-F181 WeakPolarHBondContact CA-O 3.5Å; A141-F181 HydrophobicContact CB-CB 4.49Å; A141-F181 PolarHBondContact N-O 2.93Å; A141-F181 PolarHBondContact O-N 2.95Å; A143-F181 HydrophobicContact CB-CE2 4.26Å; Q151-F181 HydrophobicContact CB-CE2 4.21Å; Q151-F181 HydrophobicContact CB-CZ 3.79Å; Q151-F181 HydrophobicContact CG-CE2 3.94Å; Q151-F181 HydrophobicContact CG-CZ 3.94Å; L154-F181 HydrophobicContact CB-CB 4.32Å; L154-F181 HydrophobicContact CB-CD1 4.04Å; L154-F181 HydrophobicContact CB-CD2 4.34Å; L154-F181 HydrophobicContact CB-CE1 4.45Å; L154-F181 HydrophobicContact CB-CG 3.99Å; L154-F181 HydrophobicContact CD1-CB 4.11Å; L154-F181 HydrophobicContact CD1-CD2 3.45Å; L154-F181 VanDerWaalsContact CD1-CD2 3.45Å; L154-F181 HydrophobicContact CD1-CE2 3.95Å; L154-F181 HydrophobicContact CD1-CG 3.83Å; E155-F181 HydrophobicContact CG-CD1 4.45Å; E155-F181 HydrophobicContact CG-CE1 3.71Å; F159-F181 HydrophobicContact CB-CB 3.89Å; F159-F181 HydrophobicContact CB-CD1 4.44Å; F159-F181 HydrophobicContact CD1-CB 4.12Å; F159-F181 HydrophobicContact CG-CB 4.42Å; A160-F181 CarbonylContact O-C 3.58Å; A160-F181 WeakPolarHBondContact O-CA 3.44Å; R161-F181 HydrophobicContact CB-CD1 3.98Å; R161-F181 HydrophobicContact CB-CE1 3.65Å; R161-F181 HydrophobicContact CB-CZ 4.44Å; R161-F181 HydrophobicContact CG-CD1 4.48Å; R161-F181 HydrophobicContact CG-CE1 3.92Å; R161-F181 HydrophobicContact CG-CZ 4.22Å; V179-F181 HydrophobicContact CB-CD2 4.43Å; V179-F181 HydrophobicContact CB-CE2 3.66Å; V179-F181 HydrophobicContact CB-CZ 4.24Å; V179-F181 HydrophobicContact CG1-CD2 4.16Å; V179-F181 HydrophobicContact CG1-CE1 4.48Å; V179-F181 HydrophobicContact CG1-CE2 3.39Å; V179-F181 HydrophobicContact CG1-CZ 3.58Å; V179-F181 WeakPolarHBondContact O-CD2 3.5Å
182S98.5Very high90.7Very high5 Ų573.3 Ų73.34%0.03539%0.388CS..EExtended strand (participates in β ladder)trans-149.3158.4176.375.30000114.2R138 L139 F159 A160 E162R138-S182 VanDerWaalsContact CZ-CB 3.49Å; R138-S182 PolarHBondContact NH1-OG 2.74Å; L139-S182 CarbonylContact O-C 3.5Å; L139-S182 VanDerWaalsContact O-CA 3.25Å; L139-S182 WeakPolarHBondContact O-CA 3.39Å; F159-S182 CarbonylContact C-O 3.46Å; F159-S182 VanDerWaalsContact CA-O 3.32Å; F159-S182 WeakPolarHBondContact CA-O 3.25Å; A160-S182 PolarHBondContact N-O 3.15Å; A160-S182 PolarHBondContact O-N 3.13Å; E162-S182 VanDerWaalsContact OE1-CB 3.23Å; E162-S182 WeakPolarHBondContact OE1-CB 3.17Å; E162-S182 PolarHBondContact OE1-OG 3.14Å
183I98.3Very high90Very high41 Ų4176.8 Ų76.821%0.2141%0.411CS..EExtended strand (participates in β ladder)trans-115.5126.4156-60.8171.8000105.5A126 F130 R138 L139 F159A126-I183 HydrophobicContact CB-CD1 4.35Å; F130-I183 HydrophobicContact CE2-CB 4.18Å; F130-I183 HydrophobicContact CE2-CD1 4.45Å; F130-I183 HydrophobicContact CE2-CG2 3.79Å; F130-I183 HydrophobicContact CZ-CB 4.11Å; F130-I183 HydrophobicContact CZ-CG2 3.77Å; R138-I183 WeakPolarHBondContact CA-O 3.35Å; L139-I183 PolarHBondContact N-O 3.03Å; L139-I183 PolarHBondContact O-N 2.98Å; F159-I183 HydrophobicContact CB-CG1 4.37Å; F159-I183 HydrophobicContact CD1-CG1 4.12Å; F159-I183 HydrophobicContact CD2-CD1 3.65Å; F159-I183 HydrophobicContact CD2-CG1 3.88Å; F159-I183 HydrophobicContact CE1-CG1 4.35Å; F159-I183 HydrophobicContact CE2-CD1 3.54Å; F159-I183 HydrophobicContact CE2-CG1 4.1Å; F159-I183 HydrophobicContact CG-CD1 4.18Å; F159-I183 HydrophobicContact CG-CG1 3.86Å; F159-I183 HydrophobicContact CZ-CD1 4Å; F159-I183 HydrophobicContact CZ-CG1 4.33Å
184V96.8Very high88.9Confident83 Ų8376.7 Ų76.750%0.50341%0.41SS..EExtended strand (participates in β ladder)trans-114.8135.7177.8-177.50000108.1L137 R138L137-V184 WeakPolarHBondContact O-CA 3.31Å; R138-V184 HydrophobicContact CG-CG2 4.37Å
185V94Very high87.2Confident59 Ų5980.8 Ų80.836%0.35845%0.448SS..PPolyproline II helixtrans-83.9123.9174178.30000107.9F130 L137 T187F130-V185 HydrophobicContact CD1-CG2 3.84Å; F130-V185 HydrophobicContact CE1-CG2 3.44Å; F130-V185 VanDerWaalsContact CE1-CG2 3.44Å; F130-V185 HydrophobicContact CZ-CG2 4.23Å; L137-V185 PolarHBondContact O-N 3.03Å; V185-T187 PolarHBondContact O-N 3.19Å
186E87.4Confident86.7Confident166 Ų16681.8 Ų81.878%0.77645%0.45SS*.PPolyproline II helixtrans-65.4127.8171.6-69178.7-174.600109.8
187T84.7Confident86.1Confident45 Ų4582.9 Ų82.928%0.27646%0.462SS..PPolyproline II helixtrans-99.6167172.8700000109.8L137 V185 Q189 D190L137-T187 HydrophobicContact CD2-CG2 3.99Å; V185-T187 PolarHBondContact O-N 3.19Å; T187-Q189 PolarHBondContact O-N 2.99Å; T187-Q189 VanDerWaalsContact O-N 3.11Å; T187-Q189 PolarHBondContact OG1-N 3.05Å; T187-D190 WeakPolarHBondContact CB-OD2 3.47Å; T187-D190 PolarHBondContact N-OD2 2.74Å; T187-D190 PolarHBondContact O-N 3.27Å; T187-D190 PolarHBondContact OG1-OD2 3.29Å
188E79Confident85.5Confident146 Ų14684.4 Ų84.468%0.68247%0.472SS*.G310 helixtrans-57.5-25.2174.1-67.5-61.7137.800112.8D190 K191E188-D190 VanDerWaalsContact C-N 3.33Å; E188-K191 IonicContact OE1-NZ 3.41Å; E188-K191 PolarHBondContact OE1-NZ 3.27Å; E188-K191 WeakPolarHBondContact OE2-CE 3.31Å; E188-K191 IonicContact OE2-NZ 2.72Å; E188-K191 PolarHBondContact OE2-NZ 3.04Å
189Q77Confident84.7Confident183 Ų18388.5 Ų88.586%0.85550%0.495SS*.G310 helixtrans-76.2-19.4177.7-63.6176.8-3.100113.3T187 K191T187-Q189 PolarHBondContact O-N 2.99Å; T187-Q189 VanDerWaalsContact O-N 3.11Å; T187-Q189 PolarHBondContact OG1-N 3.05Å; Q189-K191 VanDerWaalsContact C-N 3.33Å
190D80.7Confident83.9Confident97 Ų9793.8 Ų93.852%0.51952%0.524SS..G310 helixtrans-84.9-13.2179.7-59.7-57.6000112.2T187 E188T187-D190 WeakPolarHBondContact CB-OD2 3.47Å; T187-D190 PolarHBondContact N-OD2 2.74Å; T187-D190 PolarHBondContact O-N 3.27Å; T187-D190 PolarHBondContact OG1-OD2 3.29Å; E188-D190 VanDerWaalsContact C-N 3.33Å
191K72.7Confident82.9Confident106 Ų10699.2 Ų99.246%0.46156%0.555SS.*SBendtrans-69.2128.2174.4-65.9-179.7-173.1166.80107.9E188 Q189 D193E188-K191 IonicContact OE1-NZ 3.41Å; E188-K191 PolarHBondContact OE1-NZ 3.27Å; E188-K191 WeakPolarHBondContact OE2-CE 3.31Å; E188-K191 IonicContact OE2-NZ 2.72Å; E188-K191 PolarHBondContact OE2-NZ 3.04Å; Q189-K191 VanDerWaalsContact C-N 3.33Å; K191-D193 PolarHBondContact O-N 3.34Å
192P72.6Confident81.7Confident119 Ų119106.3 Ų106.377%0.77360%0.595SS**PPolyproline II helixtrans-55.5139.1172.824.1-31.8000108.5G194P192-G194 PolarHBondContact O-N 3.3Å
193D75.4Confident80.4Confident167 Ų167114.1 Ų114.189%0.89364%0.638SS**PPolyproline II helixtrans-46.9123.2170.3-74.6-37.7000107.4K191K191-D193 PolarHBondContact O-N 3.34Å
194G69.7Low78.9Confident59 Ų59120.2 Ų120.261%0.60867%0.673SS**PPolyproline II helixtrans-53.6162.1178.800000111.1P192P192-G194 PolarHBondContact O-N 3.3Å
195P57.4Low77.3Confident212 Ų212123.5 Ų123.5100%1.37769%0.689SS**  trans-52.20-17225.5-36.2000114.3

Retrieved 195 of 195 residues in 126.8 ms (Link to these results)

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