A0A077ZP27_TRITR Loading...

Adenylyltransferase and sulfurtransferase MOCS3

AlphaFold DB , UniProt , Accession A0A077ZP27, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 241 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
1M76Confident95.5Very high165 Ų165114.1 Ų114.181%0.81351%0.512SS*.  0-57.20-59-147.4-71.200112.8R3 Y4 N5 F15M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.77Å; M1-Y4 PolarHBondContact O-N 2.94Å; M1-N5 PolarHBondContact O-N 3.36Å; M1-F15 HydrophobicContact SD-CD1 4.09Å; M1-F15 HydrophobicContact SD-CE1 3.5Å; M1-F15 VanDerWaalsContact SD-CE1 3.5Å; M1-F15 HydrophobicContact SD-CZ 4.46Å
2L93.7Very high95.5Very high167 Ų167109.9 Ų109.987%0.87452%0.524SS*.G310 helixtrans-51-43.1-178-73.6164.8000114.9Y4 N5L2-Y4 VanDerWaalsContact C-N 3.27Å; L2-Y4 PolarHBondContact O-N 3.16Å; L2-N5 WeakPolarHBondContact O-CB 3.31Å; L2-N5 PolarHBondContact O-N 3.42Å
3R97.5Very high95.7Very high119 Ų119102.2 Ų102.245%0.44949%0.487SS..G310 helixtrans-57-37.9179.1177.7174.2-102.6157.91.4113.1M1 N90 P91 H92M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 2.77Å; R3-N90 PolarHBondContact NH1-OD1 3.43Å; R3-P91 VanDerWaalsContact NH1-CD 3.34Å; R3-H92 PolarHBondContact NH1-CD2 2.83Å; R3-H92 PolarHBondContact NH1-NE2 3.23Å
4Y98.2Very high95.8Very high33 Ų33100.7 Ų100.713%0.12948%0.483CS..G310 helixtrans-100.69.1-173.7-48.8-52.9000113.3M1 L2 R6 Q7 I8 Q18 N90M1-Y4 PolarHBondContact O-N 2.94Å; L2-Y4 VanDerWaalsContact C-N 3.27Å; L2-Y4 PolarHBondContact O-N 3.16Å; Y4-R6 PolarHBondContact O-N 3.49Å; Y4-R6 VanDerWaalsContact O-N 3.07Å; Y4-Q7 PolarHBondContact O-N 2.84Å; Y4-I8 WeakPolarHBondContact O-CG1 3.33Å; Y4-I8 PolarHBondContact O-N 3.41Å; Y4-Q18 HydrophobicContact CD2-CG 3.99Å; Y4-Q18 HydrophobicContact CG-CG 4.17Å; Y4-N90 PolarHBondContact OH-ND2 3.44Å; Y4-N90 PolarHBondContact OH-OD1 2.75Å
5N97.9Very high95.9Very high81 Ų81101.1 Ų101.143%0.43348%0.482SS..Hα-helixtrans-53.1-37.1-174.3-176.258.4000112.9M1 L2 Q7 I8 I9M1-N5 PolarHBondContact O-N 3.36Å; L2-N5 WeakPolarHBondContact O-CB 3.31Å; L2-N5 PolarHBondContact O-N 3.42Å; N5-Q7 VanDerWaalsContact C-N 3.26Å; N5-Q7 PolarHBondContact O-N 2.66Å; N5-I8 PolarHBondContact O-N 3.3Å; N5-I9 WeakPolarHBondContact O-CG1 3.42Å; N5-I9 WeakPolarHBondContact O-CG2 3.47Å; N5-I9 PolarHBondContact O-N 2.74Å; N5-I9 VanDerWaalsContact O-N 3.08Å
6R98.1Very high96Very high199 Ų199102.5 Ų102.575%0.75149%0.493SS*.Hα-helixtrans-66.4-25.7-180-61.9-60.9-65-137.6-2.8113.8Y4Y4-R6 PolarHBondContact O-N 3.49Å; Y4-R6 VanDerWaalsContact O-N 3.07Å
7Q98.4Very high96.2Very high47 Ų4796.7 Ų96.722%0.2247%0.467CS..Hα-helixtrans-86.1-45.3173.8-71.3173.5-17600110.6Y4 N5 I9 L10 F13 A45Y4-Q7 PolarHBondContact O-N 2.84Å; N5-Q7 VanDerWaalsContact C-N 3.26Å; N5-Q7 PolarHBondContact O-N 2.66Å; Q7-I9 VanDerWaalsContact C-N 3.27Å; Q7-I9 PolarHBondContact O-N 3.11Å; Q7-L10 VanDerWaalsContact O-CB 3.23Å; Q7-L10 WeakPolarHBondContact O-CB 3.19Å; Q7-L10 WeakPolarHBondContact O-CG 3.43Å; Q7-L10 PolarHBondContact O-N 2.92Å; Q7-F13 HydrophobicContact CB-CD1 4.26Å; Q7-F13 HydrophobicContact CB-CE1 3.9Å; Q7-F13 WeakPolarHBondContact O-CD1 3.21Å; Q7-A45 PolarHBondContact NE2-O 3.02Å; Q7-A45 VanDerWaalsContact OE1-CA 3.24Å; Q7-A45 VanDerWaalsContact OE1-CB 3.27Å
8I98.2Very high96.3Very high13 Ų1391.9 Ų91.97%0.06744%0.444CS..Hα-helixtrans-57.2-39.8-178.6-66.4167.1000111.5Y4 N5 L10 D14 F15 Q18Y4-I8 WeakPolarHBondContact O-CG1 3.33Å; Y4-I8 PolarHBondContact O-N 3.41Å; N5-I8 PolarHBondContact O-N 3.3Å; I8-L10 PolarHBondContact O-N 3.37Å; I8-L10 VanDerWaalsContact O-N 3.15Å; I8-D14 VanDerWaalsContact O-CA 3.26Å; I8-D14 WeakPolarHBondContact O-CA 3.45Å; I8-F15 HydrophobicContact CD1-CD1 4.18Å; I8-F15 HydrophobicContact CD1-CE1 4.08Å; I8-F15 HydrophobicContact CG2-CD1 3.87Å; I8-F15 HydrophobicContact CG2-CD2 4.09Å; I8-F15 HydrophobicContact CG2-CE1 3.72Å; I8-F15 HydrophobicContact CG2-CE2 3.96Å; I8-F15 HydrophobicContact CG2-CG 4.04Å; I8-F15 HydrophobicContact CG2-CZ 3.78Å; I8-Q18 HydrophobicContact CD1-CG 4.27Å; I8-Q18 HydrophobicContact CG1-CB 3.9Å; I8-Q18 HydrophobicContact CG1-CG 4.04Å
9I97.9Very high96.4Very high109 Ų10992.9 Ų92.956%0.55945%0.447SS*.THydrogen-bonded Turntrans-71.9-5179.766.6177000114.3N5 Q7 R11N5-I9 WeakPolarHBondContact O-CG1 3.42Å; N5-I9 WeakPolarHBondContact O-CG2 3.47Å; N5-I9 PolarHBondContact O-N 2.74Å; N5-I9 VanDerWaalsContact O-N 3.08Å; Q7-I9 VanDerWaalsContact C-N 3.27Å; Q7-I9 PolarHBondContact O-N 3.11Å; I9-R11 PolarHBondContact O-N 2.89Å
10L98.2Very high96.5Very high82 Ų8289.9 Ų89.943%0.42944%0.439SS..SBendtrans-71.7125.2177-64.7173.7000109.7Q7 I8 G12 F13 D14Q7-L10 VanDerWaalsContact O-CB 3.23Å; Q7-L10 WeakPolarHBondContact O-CB 3.19Å; Q7-L10 WeakPolarHBondContact O-CG 3.43Å; Q7-L10 PolarHBondContact O-N 2.92Å; I8-L10 PolarHBondContact O-N 3.37Å; I8-L10 VanDerWaalsContact O-N 3.15Å; L10-G12 PolarHBondContact O-N 3.19Å; L10-F13 HydrophobicContact CB-CB 3.93Å; L10-F13 PolarHBondContact O-N 3.49Å; L10-D14 PolarHBondContact O-N 2.77Å
11R96.8Very high96.6Very high240 Ų24085.6 Ų85.691%0.90642%0.418SS*.THydrogen-bonded Turntrans-58.2125.5178.8-177.3-179.1180-177.80.5110.5I9 F13I9-R11 PolarHBondContact O-N 2.89Å; R11-F13 PolarHBondContact O-N 2.82Å
12G95.8Very high97.7Very high64 Ų6484 Ų8466%0.6641%0.406SS*.THydrogen-bonded Turntrans81.2-1.2179.700000114.5L10L10-G12 PolarHBondContact O-N 3.19Å
13F97.9Very high98Very high9 Ų980.8 Ų80.84%0.03939%0.39CS..THydrogen-bonded Turntrans-97.8-57.9166.2-171.2-91.1000109.7Q7 L10 R11 G17 Q18 L21 I201 A205 Y207Q7-F13 HydrophobicContact CB-CD1 4.26Å; Q7-F13 HydrophobicContact CB-CE1 3.9Å; Q7-F13 WeakPolarHBondContact O-CD1 3.21Å; L10-F13 HydrophobicContact CB-CB 3.93Å; L10-F13 PolarHBondContact O-N 3.49Å; R11-F13 PolarHBondContact O-N 2.82Å; F13-G17 VanDerWaalsContact CZ-C 3.45Å; F13-G17 WeakPolarHBondContact CZ-O 3.42Å; F13-G17 WeakPolarHBondContact O-CA 3.37Å; F13-G17 PolarHBondContact O-N 2.81Å; F13-Q18 HydrophobicContact CE1-CB 3.94Å; F13-Q18 VanDerWaalsContact CE1-N 3.33Å; F13-L21 HydrophobicContact CE2-CD1 4.38Å; F13-L21 HydrophobicContact CZ-CD1 3.71Å; F13-L21 HydrophobicContact CZ-CG 4.02Å; F13-I201 HydrophobicContact CE2-CG2 4.1Å; F13-A205 HydrophobicContact CD2-CB 4.02Å; F13-A205 HydrophobicContact CE2-CB 3.49Å; F13-A205 VanDerWaalsContact CE2-CB 3.49Å; F13-A205 HydrophobicContact CZ-CB 4.31Å; F13-Y207 HydrophobicContact CB-CD2 4.22Å; F13-Y207 HydrophobicContact CB-CE2 4.21Å; F13-Y207 HydrophobicContact CD2-CD1 4.42Å; F13-Y207 HydrophobicContact CD2-CD2 4.45Å; F13-Y207 HydrophobicContact CD2-CG 4.14Å
14D96.2Very high98Very high82 Ų8275.6 Ų75.644%0.43937%0.372SS..Hα-helixtrans54-165.3173.7-145.6-23.8000114.5I8 L10 D16 Q18I8-D14 VanDerWaalsContact O-CA 3.26Å; I8-D14 WeakPolarHBondContact O-CA 3.45Å; L10-D14 PolarHBondContact O-N 2.77Å; D14-D16 VanDerWaalsContact C-N 3.31Å; D14-Q18 PolarHBondContact O-N 3.32Å
15F97.6Very high98.1Very high107 Ų10779.9 Ų79.947%0.46939%0.388SS..Hα-helixtrans-60.2-40.5172.4-70-77.8000112.1M1 I8 G17 Q18 E19M1-F15 HydrophobicContact SD-CD1 4.09Å; M1-F15 HydrophobicContact SD-CE1 3.5Å; M1-F15 VanDerWaalsContact SD-CE1 3.5Å; M1-F15 HydrophobicContact SD-CZ 4.46Å; I8-F15 HydrophobicContact CD1-CD1 4.18Å; I8-F15 HydrophobicContact CD1-CE1 4.08Å; I8-F15 HydrophobicContact CG2-CD1 3.87Å; I8-F15 HydrophobicContact CG2-CD2 4.09Å; I8-F15 HydrophobicContact CG2-CE1 3.72Å; I8-F15 HydrophobicContact CG2-CE2 3.96Å; I8-F15 HydrophobicContact CG2-CG 4.04Å; I8-F15 HydrophobicContact CG2-CZ 3.78Å; F15-G17 PolarHBondContact O-N 2.97Å; F15-Q18 WeakPolarHBondContact O-CB 3.4Å; F15-Q18 PolarHBondContact O-N 3.44Å; F15-Q18 VanDerWaalsContact O-N 3.09Å; F15-E19 PolarHBondContact O-N 2.84Å
16D98.1Very high98.1Very high123 Ų12376 Ų7666%0.65837%0.367SS*.Hα-helixtrans-59.8-46.3-176.9-63-9.3000111.7D14 Q18 E19 A20D14-D16 VanDerWaalsContact C-N 3.31Å; D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 2.98Å; D16-E19 PolarHBondContact O-N 2.93Å; D16-A20 WeakPolarHBondContact O-CB 3.5Å; D16-A20 PolarHBondContact O-N 2.72Å
17G98.5Very high98.2Very high4 Ų466.5 Ų66.54%0.04133%0.331CS..Hα-helixtrans-63.8-36.2176.400000112.2F13 F15 L21F13-G17 VanDerWaalsContact CZ-C 3.45Å; F13-G17 WeakPolarHBondContact CZ-O 3.42Å; F13-G17 WeakPolarHBondContact O-CA 3.37Å; F13-G17 PolarHBondContact O-N 2.81Å; F15-G17 PolarHBondContact O-N 2.97Å; G17-L21 WeakPolarHBondContact O-CG 3.48Å; G17-L21 PolarHBondContact O-N 2.94Å; G17-L21 VanDerWaalsContact O-N 3.08Å
18Q98.7Very high98.2Very high11 Ų1164.3 Ų64.35%0.05132%0.321CS..Hα-helixtrans-71.2-36.5177.1-169.859.96200112.7Y4 I8 F13 D14 F15 D16 L21 K22 A45Y4-Q18 HydrophobicContact CD2-CG 3.99Å; Y4-Q18 HydrophobicContact CG-CG 4.17Å; I8-Q18 HydrophobicContact CD1-CG 4.27Å; I8-Q18 HydrophobicContact CG1-CB 3.9Å; I8-Q18 HydrophobicContact CG1-CG 4.04Å; F13-Q18 HydrophobicContact CE1-CB 3.94Å; F13-Q18 VanDerWaalsContact CE1-N 3.33Å; D14-Q18 PolarHBondContact O-N 3.32Å; F15-Q18 WeakPolarHBondContact O-CB 3.4Å; F15-Q18 PolarHBondContact O-N 3.44Å; F15-Q18 VanDerWaalsContact O-N 3.09Å; D16-Q18 VanDerWaalsContact C-N 3.3Å; D16-Q18 PolarHBondContact O-N 2.98Å; Q18-L21 PolarHBondContact O-N 3.09Å; Q18-K22 PolarHBondContact O-N 3.09Å; Q18-K22 VanDerWaalsContact O-N 3.09Å; Q18-A45 PolarHBondContact NE2-O 2.82Å
19E98.5Very high98.2Very high110 Ų11064.1 Ų64.151%0.51432%0.32SS..Hα-helixtrans-67.7-42.5174.4-170.8158.6-140.400110.6F15 D16 L21 K22 D23F15-E19 PolarHBondContact O-N 2.84Å; D16-E19 PolarHBondContact O-N 2.93Å; E19-L21 VanDerWaalsContact C-N 3.34Å; E19-L21 PolarHBondContact O-N 3.47Å; E19-K22 CarbonylContact O-C 3.59Å; E19-K22 WeakPolarHBondContact O-CA 3.2Å; E19-K22 WeakPolarHBondContact O-CB 3.31Å; E19-K22 PolarHBondContact O-N 3.18Å; E19-D23 PolarHBondContact O-N 3.16Å
20A98.8Very high98.2Very high33 Ų3359.4 Ų59.427%0.27330%0.299SS..Hα-helixtrans-55.4-46.4172.100000112.1D16 K22 D23 S24D16-A20 WeakPolarHBondContact O-CB 3.5Å; D16-A20 PolarHBondContact O-N 2.72Å; A20-K22 VanDerWaalsContact C-N 3.33Å; A20-K22 PolarHBondContact O-N 3.26Å; A20-D23 PolarHBondContact O-N 3.48Å; A20-S24 WeakPolarHBondContact O-CB 3.15Å; A20-S24 PolarHBondContact O-N 3.44Å; A20-S24 PolarHBondContact O-OG 2.8Å
21L98.8Very high98.3Very high0 Ų055.5 Ų55.50%028%0.278CS..Hα-helixtrans-60.1-43.5174.4-66-168.6000112F13 G17 Q18 E19 D23 S24 A45 G46 V47 G48 I201 L204 A205F13-L21 HydrophobicContact CE2-CD1 4.38Å; F13-L21 HydrophobicContact CZ-CD1 3.71Å; F13-L21 HydrophobicContact CZ-CG 4.02Å; G17-L21 WeakPolarHBondContact O-CG 3.48Å; G17-L21 PolarHBondContact O-N 2.94Å; G17-L21 VanDerWaalsContact O-N 3.08Å; Q18-L21 PolarHBondContact O-N 3.09Å; E19-L21 VanDerWaalsContact C-N 3.34Å; E19-L21 PolarHBondContact O-N 3.47Å; L21-D23 VanDerWaalsContact C-N 3.26Å; L21-D23 PolarHBondContact O-N 3.21Å; L21-S24 WeakPolarHBondContact O-CB 3.22Å; L21-S24 PolarHBondContact O-N 3.2Å; L21-A45 HydrophobicContact CD1-CB 4.27Å; L21-G46 CarbonylContact C-O 3.32Å; L21-V47 HydrophobicContact CD2-CG2 4.35Å; L21-V47 CarbonylContact O-C 3.55Å; L21-V47 VanDerWaalsContact O-CA 3.28Å; L21-V47 WeakPolarHBondContact O-CA 3.32Å; L21-G48 PolarHBondContact O-N 2.82Å; L21-I201 HydrophobicContact CD1-CG1 4.35Å; L21-I201 HydrophobicContact CD1-CG2 4.21Å; L21-I201 HydrophobicContact CD2-CG1 4.45Å; L21-I201 HydrophobicContact CD2-CG2 4.34Å; L21-L204 HydrophobicContact CD2-CB 3.76Å; L21-L204 HydrophobicContact CD2-CD1 4.16Å; L21-A205 HydrophobicContact CD2-CB 4.34Å
22K98.8Very high98.3Very high130 Ų13044.8 Ų44.857%0.56524%0.242SC*.Hα-helixtrans-63.8-32.3179.9-178.9-169.7165.5-152.60112.2Q18 E19 A20 G46 G48Q18-K22 PolarHBondContact O-N 3.09Å; Q18-K22 VanDerWaalsContact O-N 3.09Å; E19-K22 CarbonylContact O-C 3.59Å; E19-K22 WeakPolarHBondContact O-CA 3.2Å; E19-K22 WeakPolarHBondContact O-CB 3.31Å; E19-K22 PolarHBondContact O-N 3.18Å; A20-K22 VanDerWaalsContact C-N 3.33Å; A20-K22 PolarHBondContact O-N 3.26Å; K22-G46 PolarHBondContact N-O 2.92Å; K22-G48 WeakPolarHBondContact O-CA 3.38Å
23D98.8Very high98.3Very high101 Ų10142 Ų4254%0.5421%0.214SC..Hα-helixtrans-86.6-14.7179.5-67.1-19000112.6E19 A20 L21E19-D23 PolarHBondContact O-N 3.16Å; A20-D23 PolarHBondContact O-N 3.48Å; L21-D23 VanDerWaalsContact C-N 3.26Å; L21-D23 PolarHBondContact O-N 3.21Å
24S98.9Very high98.3Very high9 Ų942.3 Ų42.36%0.06322%0.216CC..  trans-72152.2-177.3-63.70000114.5A20 L21 N49 D115A20-S24 WeakPolarHBondContact O-CB 3.15Å; A20-S24 PolarHBondContact O-N 3.44Å; A20-S24 PolarHBondContact O-OG 2.8Å; L21-S24 WeakPolarHBondContact O-CB 3.22Å; L21-S24 PolarHBondContact O-N 3.2Å; S24-N49 PolarHBondContact O-N 3.41Å; S24-N49 VanDerWaalsContact O-N 3.07Å; S24-N49 PolarHBondContact O-ND2 3.5Å; S24-D115 WeakPolarHBondContact CA-OD2 3.42Å
25R99Very high98.4Very high123 Ų12338.4 Ų38.446%0.46420%0.195SC..EExtended strand (participates in β ladder)trans-121.7118.4174.3-57.1175.7-178.6-81.6-8.4109.8N49 E113 D115 L116R25-N49 WeakPolarHBondContact CA-O 3.31Å; R25-N49 HydrophobicContact CB-CB 4.28Å; R25-N49 HydrophobicContact CG-CB 3.9Å; R25-E113 VanDerWaalsContact CD-O 3.31Å; R25-E113 WeakPolarHBondContact CD-O 3.31Å; R25-D115 PolarHBondContact N-OD2 3.46Å; R25-D115 PolarHBondContact O-N 3.4Å; R25-L116 PolarHBondContact O-N 3.13Å
26V99Very high98.5Very high0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-117.6128.6179.1179.40000110.8V28 L42 V47 N49 L50 T51 L116 L118 L204V26-V28 HydrophobicContact CG1-CG2 4.14Å; V26-L42 HydrophobicContact CG1-CD1 3.97Å; V26-V47 HydrophobicContact CB-CG1 4.23Å; V26-V47 HydrophobicContact CG2-CG1 3.64Å; V26-N49 PolarHBondContact N-O 3.28Å; V26-L50 HydrophobicContact CB-CD2 3.94Å; V26-L50 WeakPolarHBondContact O-CA 3.28Å; V26-T51 PolarHBondContact O-N 2.97Å; V26-L116 WeakPolarHBondContact CA-O 3.43Å; V26-L116 HydrophobicContact CG1-CD2 4.04Å; V26-L116 HydrophobicContact CG2-CB 4.43Å; V26-L118 HydrophobicContact CG1-CD1 4.12Å; V26-L204 HydrophobicContact CG2-CD1 3.58Å; V26-L204 HydrophobicContact CG2-CD2 4.49Å
27L99Very high98.5Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-92.4119.7169.6176.560000109.4V29 T51 L53 L110 I111 H114 L116 V117 L118L27-V29 HydrophobicContact CD1-CG2 4.22Å; L27-V29 HydrophobicContact CD2-CG2 3.93Å; L27-V29 HydrophobicContact CG-CG2 3.7Å; L27-T51 HydrophobicContact CD1-CG2 3.69Å; L27-L53 HydrophobicContact CD1-CB 4.06Å; L27-L110 HydrophobicContact CD1-CD2 3.84Å; L27-L110 HydrophobicContact CD1-CG 4.34Å; L27-L110 HydrophobicContact CD2-CD2 4.03Å; L27-L110 HydrophobicContact CD2-CG 4.09Å; L27-I111 HydrophobicContact CD2-CG1 4.19Å; L27-H114 HydrophobicContact CB-CB 4.2Å; L27-H114 PolarHBondContact N-CD2 3.06Å; L27-L116 PolarHBondContact N-O 3.45Å; L27-V117 HydrophobicContact CB-CG2 4.13Å; L27-V117 HydrophobicContact CD2-CG1 4.41Å; L27-V117 HydrophobicContact CD2-CG2 4.24Å; L27-V117 HydrophobicContact CG-CG1 4.48Å; L27-V117 CarbonylContact O-C 3.5Å; L27-V117 WeakPolarHBondContact O-CA 3.32Å; L27-L118 PolarHBondContact O-N 3.34Å
28V98.9Very high98.5Very high0 Ų027.5 Ų27.50%014%0.142CC..EExtended strand (participates in β ladder)trans-105.6113.4173.4-1760000108.8V26 L31 L42 T51 L52 L53 L118V26-V28 HydrophobicContact CG1-CG2 4.14Å; V28-L31 HydrophobicContact CG1-CD1 4.48Å; V28-L31 HydrophobicContact CG1-CD2 4.47Å; V28-L42 HydrophobicContact CG2-CD1 4.19Å; V28-T51 PolarHBondContact N-O 3.17Å; V28-L52 HydrophobicContact CB-CD2 4.29Å; V28-L52 HydrophobicContact CG2-CD2 4.5Å; V28-L53 PolarHBondContact O-N 3.44Å; V28-L118 HydrophobicContact CG1-CB 4.42Å; V28-L118 HydrophobicContact CG2-CB 4.38Å
29V98.8Very high98.5Very high9 Ų927 Ų276%0.05514%0.139CC..EExtended strand (participates in β ladder)trans-104116.7-177.6-170.20000110.3L27 L53 V117 L118 C120 T121 L130L27-V29 HydrophobicContact CD1-CG2 4.22Å; L27-V29 HydrophobicContact CD2-CG2 3.93Å; L27-V29 HydrophobicContact CG-CG2 3.7Å; V29-L53 HydrophobicContact CG1-CB 4.49Å; V29-L53 HydrophobicContact CG1-CD2 3.95Å; V29-L53 HydrophobicContact CG1-CG 4.24Å; V29-L53 HydrophobicContact CG2-CB 4.41Å; V29-L53 HydrophobicContact CG2-CD2 4.16Å; V29-V117 HydrophobicContact CG2-CG1 4.23Å; V29-L118 PolarHBondContact N-O 3.23Å; V29-C120 CarbonylContact O-C 3.59Å; V29-C120 VanDerWaalsContact O-CA 3.3Å; V29-C120 WeakPolarHBondContact O-CA 3.48Å; V29-C120 VanDerWaalsContact O-CB 3.26Å; V29-C120 WeakPolarHBondContact O-CB 3.37Å; V29-C120 PolarHBondContact O-N 3Å; V29-T121 HydrophobicContact CB-CG2 4.32Å; V29-T121 HydrophobicContact CG1-CG2 3.8Å; V29-T121 WeakPolarHBondContact O-CG2 3.08Å; V29-T121 PolarHBondContact O-N 2.89Å; V29-L130 HydrophobicContact CB-CD1 4.01Å; V29-L130 HydrophobicContact CB-CD2 4.25Å; V29-L130 HydrophobicContact CG1-CD1 4.06Å; V29-L130 HydrophobicContact CG1-CD2 4.27Å; V29-L130 HydrophobicContact CG2-CD1 4.34Å; V29-L130 HydrophobicContact CG2-CD2 3.74Å
30G98.4Very high98.6Very high10 Ų1023.8 Ų23.810%0.10312%0.124CC..  trans89.5113.2-170.400000111.3G32 G35 L53 C120G30-G32 VanDerWaalsContact C-N 3.3Å; G30-G35 VanDerWaalsContact O-CA 3.28Å; G30-G35 WeakPolarHBondContact O-CA 3.42Å; G30-L53 PolarHBondContact N-O 2.89Å; G30-C120 WeakPolarHBondContact O-CB 3.49Å
31L98.6Very high98.6Very high0 Ų027.5 Ų27.50%013%0.132CC..  trans-103.432.9176.7-79-63.3000110.4V28 C36 L52 D54 Q66 H69 K78 V79 A82V28-L31 HydrophobicContact CG1-CD1 4.48Å; V28-L31 HydrophobicContact CG1-CD2 4.47Å; L31-C36 PolarHBondContact O-SG 3.27Å; L31-L52 HydrophobicContact CD1-CB 4.49Å; L31-L52 HydrophobicContact CD1-CD1 4.47Å; L31-L52 HydrophobicContact CD1-CD2 4.29Å; L31-L52 HydrophobicContact CD2-CB 3.88Å; L31-L52 HydrophobicContact CG-CB 4.23Å; L31-D54 WeakPolarHBondContact CA-OD2 3.46Å; L31-D54 HydrophobicContact CB-CB 4.08Å; L31-D54 HydrophobicContact CD2-CB 4.16Å; L31-D54 PolarHBondContact N-OD2 3.29Å; L31-Q66 PolarHBondContact O-NE2 3.25Å; L31-H69 PolarHBondContact O-NE2 3.25Å; L31-K78 HydrophobicContact CB-CB 4.12Å; L31-V79 HydrophobicContact CD2-CG1 4.38Å; L31-A82 HydrophobicContact CD1-CB 3.9Å; L31-A82 HydrophobicContact CG-CB 4.18Å
32G96.5Very high98.6Very high15 Ų1527.5 Ų27.516%0.15513%0.132CC..SBendtrans-68.5-156.5165.500000112.4G30 L34 G35 C36 Q66G30-G32 VanDerWaalsContact C-N 3.3Å; G32-L34 VanDerWaalsContact C-N 3.34Å; G32-L34 PolarHBondContact O-N 2.82Å; G32-G35 PolarHBondContact O-N 2.6Å; G32-C36 WeakPolarHBondContact O-CB 3.25Å; G32-C36 PolarHBondContact O-N 3.22Å; G32-C36 PolarHBondContact O-SG 3.22Å; G32-Q66 VanDerWaalsContact CA-CD 3.49Å
33G96.8Very high98.6Very high7 Ų721.3 Ų21.37%0.07211%0.105CC..Hα-helixtrans-64.1-40.8-177.900000112.1A37 R65 I189G33-A37 WeakPolarHBondContact O-CB 3.4Å; G33-A37 PolarHBondContact O-N 2.85Å; G33-R65 WeakPolarHBondContact CA-O 3.49Å; G33-I189 WeakPolarHBondContact O-CG2 3.21Å
34L98Very high98.6Very high14 Ų1419 Ų197%0.07310%0.097CC..Hα-helixtrans-64.6-48.7-179.8-72.8171.4000110.1G32 C36 A37 A38 C120 G144 I189 I192G32-L34 VanDerWaalsContact C-N 3.34Å; G32-L34 PolarHBondContact O-N 2.82Å; L34-C36 PolarHBondContact O-N 3.1Å; L34-A37 PolarHBondContact O-N 3.31Å; L34-A38 WeakPolarHBondContact O-CB 3.42Å; L34-A38 PolarHBondContact O-N 3.37Å; L34-C120 HydrophobicContact CB-CB 3.83Å; L34-G144 WeakPolarHBondContact CD1-O 3.18Å; L34-I189 HydrophobicContact CB-CG2 4.26Å; L34-I189 HydrophobicContact CD2-CG2 3.78Å; L34-I189 HydrophobicContact CG-CG2 3.81Å; L34-I192 HydrophobicContact CD2-CB 3.66Å; L34-I192 HydrophobicContact CD2-CG2 3.59Å
35G98.7Very high98.6Very high0 Ų018.6 Ų18.60%09%0.094CC..Hα-helixtrans-63.1-41.4178.900000112.9G30 G32 A38 S39G30-G35 VanDerWaalsContact O-CA 3.28Å; G30-G35 WeakPolarHBondContact O-CA 3.42Å; G32-G35 PolarHBondContact O-N 2.6Å; G35-A38 PolarHBondContact O-N 2.88Å; G35-S39 WeakPolarHBondContact O-CB 3.38Å; G35-S39 PolarHBondContact O-N 2.97Å; G35-S39 PolarHBondContact O-OG 2.97Å
36C98.8Very high98.6Very high0 Ų012.8 Ų12.80%07%0.073CC..Hα-helixtrans-58-51.6173.4-75.40000111.3L31 G32 L34 A38 S39 Q40 L68L31-C36 PolarHBondContact O-SG 3.27Å; G32-C36 WeakPolarHBondContact O-CB 3.25Å; G32-C36 PolarHBondContact O-N 3.22Å; G32-C36 PolarHBondContact O-SG 3.22Å; L34-C36 PolarHBondContact O-N 3.1Å; C36-A38 PolarHBondContact O-N 2.9Å; C36-S39 PolarHBondContact O-OG 2.91Å; C36-Q40 WeakPolarHBondContact O-CG 3.37Å; C36-Q40 PolarHBondContact O-N 2.83Å; C36-L68 HydrophobicContact CB-CB 4.31Å; C36-L68 HydrophobicContact CB-CD1 4.16Å; C36-L68 HydrophobicContact CB-CG 3.94Å
37A98.7Very high98.6Very high6 Ų612.8 Ų12.85%0.057%0.073CC..Hα-helixtrans-65.2-39.1-179.200000112.4G33 L34 Q40 Y41G33-A37 WeakPolarHBondContact O-CB 3.4Å; G33-A37 PolarHBondContact O-N 2.85Å; L34-A37 PolarHBondContact O-N 3.31Å; A37-Q40 VanDerWaalsContact O-CG 3.26Å; A37-Q40 WeakPolarHBondContact O-CG 3.19Å; A37-Y41 WeakPolarHBondContact O-CD2 3.42Å
38A98.9Very high98.6Very high0 Ų013.2 Ų13.20%08%0.077CC..Hα-helixtrans-72.9-51.2179.700000112.1L34 G35 C36 Q40 Y41 L42 L118 G193 Q196 A197L34-A38 WeakPolarHBondContact O-CB 3.42Å; L34-A38 PolarHBondContact O-N 3.37Å; G35-A38 PolarHBondContact O-N 2.88Å; C36-A38 PolarHBondContact O-N 2.9Å; A38-Q40 VanDerWaalsContact C-N 3.33Å; A38-Q40 PolarHBondContact O-N 2.79Å; A38-Y41 PolarHBondContact O-N 2.97Å; A38-Y41 VanDerWaalsContact O-N 3.11Å; A38-L42 PolarHBondContact O-N 3Å; A38-L42 VanDerWaalsContact O-N 3.08Å; A38-L118 HydrophobicContact CB-CD2 3.51Å; A38-G193 VanDerWaalsContact CA-O 3.3Å; A38-G193 WeakPolarHBondContact CA-O 3.42Å; A38-G193 VanDerWaalsContact CB-O 3.31Å; A38-G193 WeakPolarHBondContact CB-O 3.3Å; A38-Q196 HydrophobicContact CB-CB 4.3Å; A38-A197 HydrophobicContact CB-CB 4.48Å
39S98.9Very high98.6Very high0 Ų015 Ų150%09%0.087CC..Hα-helixtrans-64.6-33.5-173.160.60000113.1G35 C36 Y41 L42 A43 L68 L86G35-S39 WeakPolarHBondContact O-CB 3.38Å; G35-S39 PolarHBondContact O-N 2.97Å; G35-S39 PolarHBondContact O-OG 2.97Å; C36-S39 PolarHBondContact O-OG 2.91Å; S39-Y41 VanDerWaalsContact C-N 3.27Å; S39-Y41 PolarHBondContact O-N 2.78Å; S39-L42 PolarHBondContact O-N 2.81Å; S39-A43 VanDerWaalsContact O-CB 3.3Å; S39-A43 WeakPolarHBondContact O-CB 3.42Å; S39-A43 PolarHBondContact O-N 3.18Å; S39-L68 WeakPolarHBondContact OG-CD1 3.29Å; S39-L86 WeakPolarHBondContact O-CD2 3.27Å
40Q98.8Very high98.6Very high43 Ų4314.7 Ų14.720%0.2018%0.084CC..Hα-helixtrans-60.4-38.5175.268.5176.943.600112.2C36 A37 A38 S44 L68 L86 I89C36-Q40 WeakPolarHBondContact O-CG 3.37Å; C36-Q40 PolarHBondContact O-N 2.83Å; A37-Q40 VanDerWaalsContact O-CG 3.26Å; A37-Q40 WeakPolarHBondContact O-CG 3.19Å; A38-Q40 VanDerWaalsContact C-N 3.33Å; A38-Q40 PolarHBondContact O-N 2.79Å; Q40-S44 WeakPolarHBondContact O-CB 3.34Å; Q40-S44 PolarHBondContact O-N 2.63Å; Q40-S44 PolarHBondContact O-OG 3.41Å; Q40-L68 HydrophobicContact CB-CD2 4.07Å; Q40-L86 VanDerWaalsContact CA-CD2 3.47Å; Q40-L86 HydrophobicContact CB-CD2 4.23Å; Q40-I89 HydrophobicContact CB-CD1 4.07Å
41Y98.9Very high98.6Very high111 Ų11114.8 Ų14.844%0.4358%0.083SC..Hα-helixtrans-78-39.6-179.5-72.5-60.5000111.4A37 A38 S39 A43 S44 A45 S194A37-Y41 WeakPolarHBondContact O-CD2 3.42Å; A38-Y41 PolarHBondContact O-N 2.97Å; A38-Y41 VanDerWaalsContact O-N 3.11Å; S39-Y41 VanDerWaalsContact C-N 3.27Å; S39-Y41 PolarHBondContact O-N 2.78Å; Y41-A43 VanDerWaalsContact C-N 3.33Å; Y41-A43 PolarHBondContact O-N 3.13Å; Y41-S44 WeakPolarHBondContact CA-OG 2.8Å; Y41-S44 PolarHBondContact O-N 2.83Å; Y41-S44 PolarHBondContact O-OG 2.97Å; Y41-A45 WeakPolarHBondContact O-CB 3.43Å; Y41-A45 PolarHBondContact O-N 3.15Å; Y41-S194 WeakPolarHBondContact CE2-OG 3.43Å
42L98.9Very high98.6Very high0 Ų014.8 Ų14.80%08%0.083CC..Hα-helixtrans-59.1-44.8172.1-63.8176.6000111.7V26 V28 A38 S39 A45 G46 V47 L50 L118 A197 A200 I201V26-L42 HydrophobicContact CG1-CD1 3.97Å; V28-L42 HydrophobicContact CG2-CD1 4.19Å; A38-L42 PolarHBondContact O-N 3Å; A38-L42 VanDerWaalsContact O-N 3.08Å; S39-L42 PolarHBondContact O-N 2.81Å; L42-A45 PolarHBondContact O-N 3.15Å; L42-G46 PolarHBondContact O-N 3.3Å; L42-V47 HydrophobicContact CB-CB 4.33Å; L42-V47 HydrophobicContact CB-CG2 4.06Å; L42-V47 HydrophobicContact CD2-CG2 3.98Å; L42-V47 PolarHBondContact O-N 3.26Å; L42-V47 VanDerWaalsContact O-N 3.08Å; L42-L50 HydrophobicContact CB-CD1 4.33Å; L42-L50 HydrophobicContact CB-CD2 4.05Å; L42-L50 HydrophobicContact CD1-CD2 4.29Å; L42-L118 HydrophobicContact CD1-CD2 3.94Å; L42-A197 HydrophobicContact CD2-CB 4.07Å; L42-A197 HydrophobicContact CG-CB 4.08Å; L42-A200 HydrophobicContact CD2-CB 3.84Å; L42-I201 HydrophobicContact CD2-CG1 4.25Å
43A98.9Very high98.7Very high0 Ų014.5 Ų14.50%08%0.078CC..Hα-helixtrans-63.8-48.1177.100000111.7S39 Y41 A45 G46 L50 L86 N90 I93S39-A43 VanDerWaalsContact O-CB 3.3Å; S39-A43 WeakPolarHBondContact O-CB 3.42Å; S39-A43 PolarHBondContact O-N 3.18Å; Y41-A43 VanDerWaalsContact C-N 3.33Å; Y41-A43 PolarHBondContact O-N 3.13Å; A43-A45 VanDerWaalsContact C-N 3.27Å; A43-A45 PolarHBondContact O-N 3.22Å; A43-G46 PolarHBondContact O-N 2.89Å; A43-G46 VanDerWaalsContact O-N 3.13Å; A43-L50 HydrophobicContact CB-CD1 3.93Å; A43-L86 HydrophobicContact CB-CB 4.32Å; A43-L86 HydrophobicContact CB-CD2 3.8Å; A43-N90 WeakPolarHBondContact O-CB 3.48Å; A43-N90 PolarHBondContact O-ND2 2.86Å; A43-I93 HydrophobicContact CB-CD1 3.64Å
44S98.8Very high98.8Very high51 Ų5114.8 Ų14.836%0.3578%0.078SC..Hα-helixtrans-64-32.717974.20000113.1Q40 Y41 G46Q40-S44 WeakPolarHBondContact O-CB 3.34Å; Q40-S44 PolarHBondContact O-N 2.63Å; Q40-S44 PolarHBondContact O-OG 3.41Å; Y41-S44 WeakPolarHBondContact CA-OG 2.8Å; Y41-S44 PolarHBondContact O-N 2.83Å; Y41-S44 PolarHBondContact O-OG 2.97Å; S44-G46 PolarHBondContact O-N 2.78Å
45A98.8Very high98.8Very high2 Ų220.1 Ų20.12%0.01710%0.101CC..Hα-helixtrans-74.8-13.1177.700000113.2Q7 Q18 L21 Y41 L42 A43 I201Q7-A45 PolarHBondContact NE2-O 3.02Å; Q7-A45 VanDerWaalsContact OE1-CA 3.24Å; Q7-A45 VanDerWaalsContact OE1-CB 3.27Å; Q18-A45 PolarHBondContact NE2-O 2.82Å; L21-A45 HydrophobicContact CD1-CB 4.27Å; Y41-A45 WeakPolarHBondContact O-CB 3.43Å; Y41-A45 PolarHBondContact O-N 3.15Å; L42-A45 PolarHBondContact O-N 3.15Å; A43-A45 VanDerWaalsContact C-N 3.27Å; A43-A45 PolarHBondContact O-N 3.22Å; A45-I201 HydrophobicContact CB-CD1 3.65Å; A45-I201 HydrophobicContact CB-CG1 4.33Å
46G98.8Very high98.7Very high1 Ų123.3 Ų23.31%0.0112%0.118CC..THydrogen-bonded Turntrans85.931.617700000114L21 K22 L42 A43 S44 G48L21-G46 CarbonylContact C-O 3.32Å; K22-G46 PolarHBondContact N-O 2.92Å; L42-G46 PolarHBondContact O-N 3.3Å; A43-G46 PolarHBondContact O-N 2.89Å; A43-G46 VanDerWaalsContact O-N 3.13Å; S44-G46 PolarHBondContact O-N 2.78Å; G46-G48 PolarHBondContact O-N 3.46Å
47V98.9Very high98.7Very high0 Ų025.5 Ų25.50%013%0.133CC..  trans-61.7119.2164.7176.30000108.6L21 V26 L42 N49 L50 I93 L204L21-V47 HydrophobicContact CD2-CG2 4.35Å; L21-V47 CarbonylContact O-C 3.55Å; L21-V47 VanDerWaalsContact O-CA 3.28Å; L21-V47 WeakPolarHBondContact O-CA 3.32Å; V26-V47 HydrophobicContact CB-CG1 4.23Å; V26-V47 HydrophobicContact CG2-CG1 3.64Å; L42-V47 HydrophobicContact CB-CB 4.33Å; L42-V47 HydrophobicContact CB-CG2 4.06Å; L42-V47 HydrophobicContact CD2-CG2 3.98Å; L42-V47 PolarHBondContact O-N 3.26Å; L42-V47 VanDerWaalsContact O-N 3.08Å; V47-N49 PolarHBondContact O-N 3.49Å; V47-L50 HydrophobicContact CB-CD2 4.06Å; V47-L50 HydrophobicContact CG1-CD2 3.65Å; V47-I93 WeakPolarHBondContact O-CB 3.28Å; V47-I93 WeakPolarHBondContact O-CG2 3.45Å; V47-L204 HydrophobicContact CG1-CD1 4.46Å; V47-L204 HydrophobicContact CG2-CD1 4.24Å
48G98.8Very high98.7Very high9 Ų925.4 Ų25.49%0.09313%0.132CC..SBendtrans-66.7-34.8-16300000115.3L21 K22 G46 I93 A94L21-G48 PolarHBondContact O-N 2.82Å; K22-G48 WeakPolarHBondContact O-CA 3.38Å; G46-G48 PolarHBondContact O-N 3.46Å; G48-I93 CarbonylContact O-C 3.54Å; G48-I93 WeakPolarHBondContact O-CA 3.29Å; G48-A94 PolarHBondContact O-N 2.9Å
49N99Very high98.7Very high38 Ų3827.4 Ų27.420%0.20315%0.146CC..EExtended strand (participates in β ladder)trans-133.8119.9-177.2-47.6-96.3000109.6S24 R25 V26 V47 A94S24-N49 PolarHBondContact O-N 3.41Å; S24-N49 VanDerWaalsContact O-N 3.07Å; S24-N49 PolarHBondContact O-ND2 3.5Å; R25-N49 WeakPolarHBondContact CA-O 3.31Å; R25-N49 HydrophobicContact CB-CB 4.28Å; R25-N49 HydrophobicContact CG-CB 3.9Å; V26-N49 PolarHBondContact N-O 3.28Å; V47-N49 PolarHBondContact O-N 3.49Å; N49-A94 WeakPolarHBondContact CA-O 3.39Å
50L99Very high98.6Very high1 Ų133 Ų331%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-115.5118.5174.5-61.9-177.1000109.8V26 L42 A43 V47 L52 I93 A94 I95 T96V26-L50 HydrophobicContact CB-CD2 3.94Å; V26-L50 WeakPolarHBondContact O-CA 3.28Å; L42-L50 HydrophobicContact CB-CD1 4.33Å; L42-L50 HydrophobicContact CB-CD2 4.05Å; L42-L50 HydrophobicContact CD1-CD2 4.29Å; A43-L50 HydrophobicContact CB-CD1 3.93Å; V47-L50 HydrophobicContact CB-CD2 4.06Å; V47-L50 HydrophobicContact CG1-CD2 3.65Å; L50-L52 HydrophobicContact CB-CD2 4.17Å; L50-I93 HydrophobicContact CD1-CD1 3.71Å; L50-I93 HydrophobicContact CG-CD1 4.08Å; L50-A94 PolarHBondContact N-O 3.03Å; L50-I95 CarbonylContact O-C 3.56Å; L50-I95 VanDerWaalsContact O-CA 3.28Å; L50-I95 WeakPolarHBondContact O-CA 3.45Å; L50-T96 PolarHBondContact O-N 3.16Å
51T99Very high98.5Very high12 Ų1234.8 Ų34.87%0.07419%0.193CC..EExtended strand (participates in β ladder)trans-97.4127167-600000108.6V26 L27 V28 T96 V98 L110 H114V26-T51 PolarHBondContact O-N 2.97Å; L27-T51 HydrophobicContact CD1-CG2 3.69Å; V28-T51 PolarHBondContact N-O 3.17Å; T51-T96 CarbonylContact C-O 3.54Å; T51-T96 WeakPolarHBondContact CA-O 3.43Å; T51-V98 HydrophobicContact CG2-CG2 3.74Å; T51-L110 HydrophobicContact CG2-CD1 4.42Å; T51-H114 WeakPolarHBondContact CB-NE2 3.49Å; T51-H114 PolarHBondContact OG1-NE2 2.98Å
52L98.9Very high98.3Very high0 Ų030 Ų300%018%0.175CC..EExtended strand (participates in β ladder)trans-110113.6-176.1-50.4-174.9000108.1V28 L31 L50 V79 A82 R83 L86 I95 T96 V98V28-L52 HydrophobicContact CB-CD2 4.29Å; V28-L52 HydrophobicContact CG2-CD2 4.5Å; L31-L52 HydrophobicContact CD1-CB 4.49Å; L31-L52 HydrophobicContact CD1-CD1 4.47Å; L31-L52 HydrophobicContact CD1-CD2 4.29Å; L31-L52 HydrophobicContact CD2-CB 3.88Å; L31-L52 HydrophobicContact CG-CB 4.23Å; L50-L52 HydrophobicContact CB-CD2 4.17Å; L52-V79 HydrophobicContact CB-CB 4.37Å; L52-V79 HydrophobicContact CB-CG1 4.25Å; L52-V79 VanDerWaalsContact O-CG1 3.3Å; L52-V79 WeakPolarHBondContact O-CG1 3.31Å; L52-A82 HydrophobicContact CD1-CB 3.96Å; L52-R83 HydrophobicContact CD1-CB 4.34Å; L52-L86 HydrophobicContact CD1-CD1 3.8Å; L52-L86 HydrophobicContact CD2-CD1 4.25Å; L52-I95 HydrophobicContact CD1-CG2 3.63Å; L52-I95 HydrophobicContact CG-CG2 3.89Å; L52-T96 PolarHBondContact N-O 2.9Å; L52-V98 PolarHBondContact O-N 2.93Å
53L98.9Very high98.2Very high9 Ų931.8 Ų31.85%0.04718%0.184CC..EExtended strand (participates in β ladder)trans-112.3115.3179.9175.662.4000110.2L27 V28 V29 G30 V98 A100 L102 L107 L110L27-L53 HydrophobicContact CD1-CB 4.06Å; V28-L53 PolarHBondContact O-N 3.44Å; V29-L53 HydrophobicContact CG1-CB 4.49Å; V29-L53 HydrophobicContact CG1-CD2 3.95Å; V29-L53 HydrophobicContact CG1-CG 4.24Å; V29-L53 HydrophobicContact CG2-CB 4.41Å; V29-L53 HydrophobicContact CG2-CD2 4.16Å; G30-L53 PolarHBondContact N-O 2.89Å; L53-V98 HydrophobicContact CD1-CB 3.95Å; L53-V98 HydrophobicContact CD1-CG1 3.67Å; L53-A100 WeakPolarHBondContact CD1-O 3.41Å; L53-L102 HydrophobicContact CD1-CD1 3.97Å; L53-L102 HydrophobicContact CD1-CG 3.99Å; L53-L102 HydrophobicContact CD2-CD1 3.76Å; L53-L102 HydrophobicContact CD2-CG 4.24Å; L53-L107 HydrophobicContact CD2-CD1 3.7Å; L53-L110 HydrophobicContact CD2-CD2 4.22Å
54D98.7Very high98.1Very high14 Ų1436.4 Ų36.48%0.07521%0.205CC..EExtended strand (participates in β ladder)trans-155.7146.7171.1-159.1-41.2000107.8L31 D56 K78 V79 V98 N99 A100L31-D54 WeakPolarHBondContact CA-OD2 3.46Å; L31-D54 HydrophobicContact CB-CB 4.08Å; L31-D54 HydrophobicContact CD2-CB 4.16Å; L31-D54 PolarHBondContact N-OD2 3.29Å; D54-D56 WeakPolarHBondContact OD1-CB 3.18Å; D54-D56 PolarHBondContact OD1-N 2.87Å; D54-K78 HydrophobicContact CB-CB 4.36Å; D54-K78 WeakPolarHBondContact OD2-CD 3.49Å; D54-V79 HydrophobicContact CB-CG1 3.63Å; D54-V98 PolarHBondContact N-O 3.12Å; D54-N99 WeakPolarHBondContact O-CA 3.27Å; D54-N99 PolarHBondContact O-OD1 3.1Å; D54-A100 PolarHBondContact O-N 2.64Å
55F97.6Very high98Very high125 Ų12535.9 Ų35.955%0.54820%0.196SC..  trans-100.1-12.6179.766.9-91.4000112.6L101F55-L101 HydrophobicContact CB-CB 4.01Å; F55-L101 HydrophobicContact CD1-CD1 4.11Å; F55-L101 HydrophobicContact CG-CB 4.34Å
56D97.3Very high97.9Very high67 Ų6736 Ų3636%0.35820%0.196SC..PPolyproline II helixtrans-97.8162.3-166.6-167.721.5000112.4D54 K78D54-D56 WeakPolarHBondContact OD1-CB 3.18Å; D54-D56 PolarHBondContact OD1-N 2.87Å; D56-K78 HydrophobicContact CB-CD 4.15Å; D56-K78 WeakPolarHBondContact O-CB 3.42Å; D56-K78 WeakPolarHBondContact O-CG 3.33Å; D56-K78 PolarHBondContact O-N 3.46Å; D56-K78 WeakPolarHBondContact OD2-CE 3.26Å; D56-K78 IonicContact OD2-NZ 2.71Å; D56-K78 PolarHBondContact OD2-NZ 3.11Å
57S98.6Very high97.9Very high47 Ų4740.5 Ų40.533%0.32922%0.223SC..BIsolated β-bridgetrans-99.6157.4176.3-71.70000111.9S59 G75 Q76 K78S57-S59 PolarHBondContact O-N 2.93Å; S57-G75 PolarHBondContact OG-O 3.02Å; S57-Q76 CarbonylContact C-O 3.54Å; S57-Q76 VanDerWaalsContact CA-O 3.29Å; S57-Q76 WeakPolarHBondContact CA-O 3.5Å; S57-Q76 WeakPolarHBondContact CB-O 3.29Å; S57-K78 VanDerWaalsContact O-CE 3.29Å; S57-K78 WeakPolarHBondContact O-CE 3.27Å
58V98.7Very high97.9Very high4 Ų441.1 Ų41.12%0.02423%0.227CC..PPolyproline II helixtrans-66125.6174.6179.70000109.7L63 H69 T73 V74 G75 Q76 K78V58-L63 HydrophobicContact CG1-CD2 3.93Å; V58-H69 HydrophobicContact CG1-CB 3.73Å; V58-H69 HydrophobicContact CG2-CB 4Å; V58-T73 WeakPolarHBondContact CB-O 3.39Å; V58-V74 HydrophobicContact CG1-CG2 4.24Å; V58-G75 PolarHBondContact O-N 3.35Å; V58-Q76 PolarHBondContact N-O 2.85Å; V58-K78 HydrophobicContact CG2-CG 4.06Å
59S97.9Very high97.9Very high42 Ų4241.4 Ų41.429%0.29423%0.225SC..  trans-113.7156.3170.680.90000111.9S57 S61 N62S57-S59 PolarHBondContact O-N 2.93Å; S59-S61 PolarHBondContact O-N 2.95Å; S59-S61 PolarHBondContact OG-OG 3.22Å; S59-N62 WeakPolarHBondContact CA-OD1 3.26Å; S59-N62 WeakPolarHBondContact CB-OD1 3.39Å; S59-N62 PolarHBondContact N-OD1 3.14Å; S59-N62 VanDerWaalsContact O-CB 3.24Å; S59-N62 WeakPolarHBondContact O-CB 3.23Å; S59-N62 PolarHBondContact O-N 2.86Å; S59-N62 PolarHBondContact O-OD1 2.97Å; S59-N62 PolarHBondContact OG-OD1 3.4Å
60L97.8Very high97.9Very high117 Ų11742 Ų4261%0.61323%0.233SC*.G310 helixtrans-55.1-38.9176.8-178.661.7000112.5N62 L63L60-N62 PolarHBondContact O-N 2.92Å; L60-N62 VanDerWaalsContact O-N 3.14Å; L60-L63 HydrophobicContact CD1-CD1 4.02Å; L60-L63 PolarHBondContact O-N 2.82Å
61S95.5Very high97.9Very high81 Ų8147.8 Ų47.857%0.56626%0.264SS*.G310 helixtrans-64.7-17179.4770000114S59 R65S59-S61 PolarHBondContact O-N 2.95Å; S59-S61 PolarHBondContact OG-OG 3.22Å; S61-R65 PolarHBondContact O-NH1 3.31Å; S61-R65 VanDerWaalsContact O-NH1 3.14Å
62N94.9Very high97.9Very high10 Ų1051.4 Ų51.45%0.05330%0.295CS..G310 helixtrans-80.4-28.9179-61.1135.6000112.6S59 L60 Q64 R65 Q66S59-N62 WeakPolarHBondContact CA-OD1 3.26Å; S59-N62 WeakPolarHBondContact CB-OD1 3.39Å; S59-N62 PolarHBondContact N-OD1 3.14Å; S59-N62 VanDerWaalsContact O-CB 3.24Å; S59-N62 WeakPolarHBondContact O-CB 3.23Å; S59-N62 PolarHBondContact O-N 2.86Å; S59-N62 PolarHBondContact O-OD1 2.97Å; S59-N62 PolarHBondContact OG-OD1 3.4Å; L60-N62 PolarHBondContact O-N 2.92Å; L60-N62 VanDerWaalsContact O-N 3.14Å; N62-Q64 PolarHBondContact O-N 2.88Å; N62-R65 PolarHBondContact O-N 3.44Å; N62-Q66 HydrophobicContact CB-CB 4.25Å; N62-Q66 VanDerWaalsContact CB-CD 3.46Å; N62-Q66 HydrophobicContact CB-CG 4.02Å; N62-Q66 PolarHBondContact ND2-OE1 2.92Å; N62-Q66 VanDerWaalsContact ND2-OE1 3.12Å; N62-Q66 WeakPolarHBondContact O-CB 3.46Å; N62-Q66 PolarHBondContact O-N 3.45Å
63L97.5Very high97.9Very high38 Ų3852.4 Ų52.420%0.19930%0.301CS..THydrogen-bonded Turntrans-64.2-21.4-164.9-58.4-171.1000113.9V58 L60 R65 H69 D71 V74V58-L63 HydrophobicContact CG1-CD2 3.93Å; L60-L63 HydrophobicContact CD1-CD1 4.02Å; L60-L63 PolarHBondContact O-N 2.82Å; L63-R65 PolarHBondContact O-N 3.09Å; L63-H69 HydrophobicContact CD2-CB 3.93Å; L63-D71 HydrophobicContact CD1-CB 4.35Å; L63-V74 HydrophobicContact CD1-CG2 4.2Å
64Q96.6Very high97.9Very high96 Ų9655.3 Ų55.345%0.44932%0.319SS..THydrogen-bonded Turntrans-61-27.3175.372.796.44.100113.2N62 V184 A186N62-Q64 PolarHBondContact O-N 2.88Å; Q64-V184 PolarHBondContact NE2-O 3.45Å; Q64-A186 WeakPolarHBondContact O-CB 3.5Å
65R96.6Very high97.9Very high41 Ų4157 Ų5716%0.15534%0.34CS..THydrogen-bonded Turntrans-133.9-11.4-171.762.3175.6177.6-67.36115.5G33 S61 N62 L63 A186 I189G33-R65 WeakPolarHBondContact CA-O 3.49Å; S61-R65 PolarHBondContact O-NH1 3.31Å; S61-R65 VanDerWaalsContact O-NH1 3.14Å; N62-R65 PolarHBondContact O-N 3.44Å; L63-R65 PolarHBondContact O-N 3.09Å; R65-A186 HydrophobicContact CB-CB 4.1Å; R65-I189 HydrophobicContact CB-CD1 4.14Å; R65-I189 HydrophobicContact CG-CD1 4.23Å
66Q98Very high97.9Very high4 Ų454.6 Ų54.62%0.01933%0.33CS..  trans-104.471.8-176.9-65-172.2-149.200110.6L31 G32 N62 L68 H69L31-Q66 PolarHBondContact O-NE2 3.25Å; G32-Q66 VanDerWaalsContact CA-CD 3.49Å; N62-Q66 HydrophobicContact CB-CB 4.25Å; N62-Q66 VanDerWaalsContact CB-CD 3.46Å; N62-Q66 HydrophobicContact CB-CG 4.02Å; N62-Q66 PolarHBondContact ND2-OE1 2.92Å; N62-Q66 VanDerWaalsContact ND2-OE1 3.12Å; N62-Q66 WeakPolarHBondContact O-CB 3.46Å; N62-Q66 PolarHBondContact O-N 3.45Å; Q66-L68 PolarHBondContact O-N 3Å; Q66-H69 VanDerWaalsContact CB-CD2 3.47Å; Q66-H69 WeakPolarHBondContact CB-CD2 3.42Å; Q66-H69 PolarHBondContact NE2-CD2 3.49Å; Q66-H69 PolarHBondContact NE2-NE2 3.26Å; Q66-H69 VanDerWaalsContact NE2-NE2 3.11Å; Q66-H69 PolarHBondContact O-N 3.37Å
67T98.5Very high98Very high95 Ų9552.4 Ų52.458%0.58332%0.32SS*.THydrogen-bonded Turntrans-71.4-2.6-163.753.50000115.8
68L98.8Very high98Very high14 Ų1450.8 Ų50.87%0.07331%0.307CS..THydrogen-bonded Turntrans-80.7-24.3168.1-67.8-176.9000112.6C36 S39 Q40 Q66 A82 A85 L86 I89C36-L68 HydrophobicContact CB-CB 4.31Å; C36-L68 HydrophobicContact CB-CD1 4.16Å; C36-L68 HydrophobicContact CB-CG 3.94Å; S39-L68 WeakPolarHBondContact OG-CD1 3.29Å; Q40-L68 HydrophobicContact CB-CD2 4.07Å; Q66-L68 PolarHBondContact O-N 3Å; L68-A82 HydrophobicContact CD1-CB 4.05Å; L68-A85 HydrophobicContact CB-CB 4.11Å; L68-A85 HydrophobicContact CD2-CB 3.98Å; L68-A85 WeakPolarHBondContact O-CB 3.23Å; L68-L86 HydrophobicContact CD1-CD1 4.24Å; L68-L86 HydrophobicContact CD1-CD2 3.92Å; L68-L86 HydrophobicContact CD1-CG 3.98Å; L68-L86 HydrophobicContact CD2-CD2 4.13Å; L68-I89 HydrophobicContact CD2-CD1 4.18Å
69H98.8Very high98Very high14 Ų1450.7 Ų50.77%0.06531%0.306CS..  trans-91.4166.6179.9-47.2-41.4000111L31 V58 L63 Q66 K78 S81L31-H69 PolarHBondContact O-NE2 3.25Å; V58-H69 HydrophobicContact CG1-CB 3.73Å; V58-H69 HydrophobicContact CG2-CB 4Å; L63-H69 HydrophobicContact CD2-CB 3.93Å; Q66-H69 VanDerWaalsContact CB-CD2 3.47Å; Q66-H69 WeakPolarHBondContact CB-CD2 3.42Å; Q66-H69 PolarHBondContact NE2-CD2 3.49Å; Q66-H69 PolarHBondContact NE2-NE2 3.26Å; Q66-H69 VanDerWaalsContact NE2-NE2 3.11Å; Q66-H69 PolarHBondContact O-N 3.37Å; H69-K78 PolarHBondContact CE1-O 3.46Å; H69-S81 PolarHBondContact ND1-OG 3.33Å
70S98.7Very high98.1Very high52 Ų5252.2 Ų52.236%0.36431%0.309SS..  trans-146.1170.4178.766.90000111.1A72 T73 V74S70-A72 PolarHBondContact O-N 3.38Å; S70-A72 VanDerWaalsContact O-N 3.14Å; S70-A72 PolarHBondContact OG-N 2.95Å; S70-T73 PolarHBondContact N-OG1 3.01Å; S70-T73 VanDerWaalsContact N-OG1 3.11Å; S70-T73 PolarHBondContact O-N 3.47Å; S70-T73 PolarHBondContact O-OG1 3.43Å; S70-V74 PolarHBondContact O-N 3.32Å
71D98.7Very high98.1Very high122 Ų12246.8 Ų46.865%0.65228%0.28SS*.G310 helixtrans-53.8-31.9172.7-66.9-96.1000112.6L63 T73L63-D71 HydrophobicContact CD1-CB 4.35Å; D71-T73 VanDerWaalsContact C-N 3.28Å; D71-T73 PolarHBondContact O-N 3.22Å
72A98.7Very high98.3Very high87 Ų8742.9 Ų42.972%0.71925%0.253SS*.G310 helixtrans-73.7-16.4178.700000114S70S70-A72 PolarHBondContact O-N 3.38Å; S70-A72 VanDerWaalsContact O-N 3.14Å; S70-A72 PolarHBondContact OG-N 2.95Å
73T98.7Very high98.5Very high22 Ų2246.1 Ų46.114%0.13527%0.265CS..G310 helixtrans-105.92.9179.965.40000113.3V58 S70 D71 G75 Q76 S81V58-T73 WeakPolarHBondContact CB-O 3.39Å; S70-T73 PolarHBondContact N-OG1 3.01Å; S70-T73 VanDerWaalsContact N-OG1 3.11Å; S70-T73 PolarHBondContact O-N 3.47Å; S70-T73 PolarHBondContact O-OG1 3.43Å; D71-T73 VanDerWaalsContact C-N 3.28Å; D71-T73 PolarHBondContact O-N 3.22Å; T73-G75 PolarHBondContact O-N 2.96Å; T73-Q76 VanDerWaalsContact O-CB 3.25Å; T73-Q76 WeakPolarHBondContact O-CB 3.32Å; T73-Q76 WeakPolarHBondContact O-CG 3.16Å; T73-Q76 PolarHBondContact O-N 2.91Å; T73-S81 WeakPolarHBondContact CB-OG 3.4Å; T73-S81 PolarHBondContact OG1-OG 3.04Å
74V98.7Very high98.5Very high69 Ų6947.5 Ų47.542%0.41827%0.272SS..THydrogen-bonded Turntrans-54.5130.2174.3175.20000110.2V58 L63 S70 Q76V58-V74 HydrophobicContact CG1-CG2 4.24Å; L63-V74 HydrophobicContact CD1-CG2 4.2Å; S70-V74 PolarHBondContact O-N 3.32Å; V74-Q76 VanDerWaalsContact C-N 3.34Å
75G98.6Very high98.6Very high51 Ų5143.1 Ų43.153%0.52625%0.253SS..THydrogen-bonded Turntrans90.7-20.6-175.200000114.8S57 V58 T73S57-G75 PolarHBondContact OG-O 3.02Å; V58-G75 PolarHBondContact O-N 3.35Å; T73-G75 PolarHBondContact O-N 2.96Å
76Q98.7Very high98.7Very high73 Ų7341.2 Ų41.234%0.34125%0.246SC..SBendtrans-73.4150.7176-60.4179.85.100111.1S57 V58 T73 V74 K78S57-Q76 CarbonylContact C-O 3.54Å; S57-Q76 VanDerWaalsContact CA-O 3.29Å; S57-Q76 WeakPolarHBondContact CA-O 3.5Å; S57-Q76 WeakPolarHBondContact CB-O 3.29Å; V58-Q76 PolarHBondContact N-O 2.85Å; T73-Q76 VanDerWaalsContact O-CB 3.25Å; T73-Q76 WeakPolarHBondContact O-CB 3.32Å; T73-Q76 WeakPolarHBondContact O-CG 3.16Å; T73-Q76 PolarHBondContact O-N 2.91Å; V74-Q76 VanDerWaalsContact C-N 3.34Å; Q76-K78 PolarHBondContact O-N 3.09Å
77P98.9Very high98.8Very high22 Ų2243.1 Ų43.114%0.14326%0.262CS..BIsolated β-bridgetrans-54.1134.4169.6-25.935.8000111.5V79 E80 S81 N99P77-V79 VanDerWaalsContact C-N 3.25Å; P77-V79 HydrophobicContact CB-CG2 4.27Å; P77-V79 PolarHBondContact O-N 3.4Å; P77-E80 HydrophobicContact CB-CB 4.39Å; P77-E80 HydrophobicContact CB-CG 4.11Å; P77-E80 HydrophobicContact CG-CG 4.39Å; P77-E80 PolarHBondContact O-N 2.87Å; P77-E80 VanDerWaalsContact O-N 3.11Å; P77-S81 PolarHBondContact O-N 3.25Å; P77-S81 VanDerWaalsContact O-N 3.11Å; P77-N99 WeakPolarHBondContact CG-ND2 3.32Å
78K98.9Very high98.8Very high13 Ų1347.3 Ų47.36%0.05727%0.267CS..Hα-helixtrans-58.4-38.8-177.9-75.7175-178.2165.30112.1L31 D54 D56 S57 V58 H69 Q76 E80 S81 A82L31-K78 HydrophobicContact CB-CB 4.12Å; D54-K78 HydrophobicContact CB-CB 4.36Å; D54-K78 WeakPolarHBondContact OD2-CD 3.49Å; D56-K78 HydrophobicContact CB-CD 4.15Å; D56-K78 WeakPolarHBondContact O-CB 3.42Å; D56-K78 WeakPolarHBondContact O-CG 3.33Å; D56-K78 PolarHBondContact O-N 3.46Å; D56-K78 WeakPolarHBondContact OD2-CE 3.26Å; D56-K78 IonicContact OD2-NZ 2.71Å; D56-K78 PolarHBondContact OD2-NZ 3.11Å; S57-K78 VanDerWaalsContact O-CE 3.29Å; S57-K78 WeakPolarHBondContact O-CE 3.27Å; V58-K78 HydrophobicContact CG2-CG 4.06Å; H69-K78 PolarHBondContact CE1-O 3.46Å; Q76-K78 PolarHBondContact O-N 3.09Å; K78-E80 VanDerWaalsContact C-N 3.31Å; K78-E80 PolarHBondContact O-N 3.44Å; K78-S81 PolarHBondContact O-N 2.93Å; K78-A82 WeakPolarHBondContact O-CB 3.07Å; K78-A82 PolarHBondContact O-N 3.38Å
79V98.9Very high98.8Very high1 Ų149.8 Ų49.81%0.00628%0.28CS..Hα-helixtrans-63.1-35.4179.2-63.60000112.8L31 L52 D54 P77 R83 P97 N99L31-V79 HydrophobicContact CD2-CG1 4.38Å; L52-V79 HydrophobicContact CB-CB 4.37Å; L52-V79 HydrophobicContact CB-CG1 4.25Å; L52-V79 VanDerWaalsContact O-CG1 3.3Å; L52-V79 WeakPolarHBondContact O-CG1 3.31Å; D54-V79 HydrophobicContact CB-CG1 3.63Å; P77-V79 VanDerWaalsContact C-N 3.25Å; P77-V79 HydrophobicContact CB-CG2 4.27Å; P77-V79 PolarHBondContact O-N 3.4Å; V79-R83 VanDerWaalsContact O-CB 3.26Å; V79-R83 WeakPolarHBondContact O-CB 3.29Å; V79-R83 PolarHBondContact O-N 3.08Å; V79-P97 HydrophobicContact CB-CB 3.76Å; V79-P97 HydrophobicContact CG2-CB 3.81Å; V79-N99 HydrophobicContact CG2-CB 3.66Å
80E98.9Very high98.8Very high74 Ų7449.1 Ų49.135%0.34628%0.277SS..Hα-helixtrans-73.8-48.4177.7-66.8178.7-170.400110.8P77 K78 A82 R83 D84P77-E80 HydrophobicContact CB-CB 4.39Å; P77-E80 HydrophobicContact CB-CG 4.11Å; P77-E80 HydrophobicContact CG-CG 4.39Å; P77-E80 PolarHBondContact O-N 2.87Å; P77-E80 VanDerWaalsContact O-N 3.11Å; K78-E80 VanDerWaalsContact C-N 3.31Å; K78-E80 PolarHBondContact O-N 3.44Å; E80-A82 VanDerWaalsContact C-N 3.29Å; E80-A82 PolarHBondContact O-N 3.08Å; E80-R83 PolarHBondContact O-N 2.85Å; E80-D84 PolarHBondContact O-N 3.3Å
81S98.9Very high98.8Very high3 Ų350.8 Ų50.82%0.02129%0.287CS..Hα-helixtrans-58.1-42.31761740000111.7H69 T73 P77 K78 A85H69-S81 PolarHBondContact ND1-OG 3.33Å; T73-S81 WeakPolarHBondContact CB-OG 3.4Å; T73-S81 PolarHBondContact OG1-OG 3.04Å; P77-S81 PolarHBondContact O-N 3.25Å; P77-S81 VanDerWaalsContact O-N 3.11Å; K78-S81 PolarHBondContact O-N 2.93Å; S81-A85 PolarHBondContact O-N 3.11Å
82A98.9Very high98.8Very high0 Ų051.2 Ų51.20%028%0.284CS..Hα-helixtrans-67-47176.600000111.8L31 L52 L68 K78 E80 D84 A85 L86L31-A82 HydrophobicContact CD1-CB 3.9Å; L31-A82 HydrophobicContact CG-CB 4.18Å; L52-A82 HydrophobicContact CD1-CB 3.96Å; L68-A82 HydrophobicContact CD1-CB 4.05Å; K78-A82 WeakPolarHBondContact O-CB 3.07Å; K78-A82 PolarHBondContact O-N 3.38Å; E80-A82 VanDerWaalsContact C-N 3.29Å; E80-A82 PolarHBondContact O-N 3.08Å; A82-D84 VanDerWaalsContact C-N 3.29Å; A82-D84 PolarHBondContact O-N 3.21Å; A82-A85 PolarHBondContact O-N 3.13Å; A82-L86 WeakPolarHBondContact O-CB 3.28Å; A82-L86 WeakPolarHBondContact O-CG 3.33Å; A82-L86 PolarHBondContact O-N 3.4Å
83R98.9Very high98.8Very high77 Ų7748.1 Ų48.129%0.29126%0.255SS..Hα-helixtrans-52.3-49.9176177.1-156.162.3-148.6-7.5110.9L52 V79 E80 A85 L86 A87 I95L52-R83 HydrophobicContact CD1-CB 4.34Å; V79-R83 VanDerWaalsContact O-CB 3.26Å; V79-R83 WeakPolarHBondContact O-CB 3.29Å; V79-R83 PolarHBondContact O-N 3.08Å; E80-R83 PolarHBondContact O-N 2.85Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 3.2Å; R83-L86 PolarHBondContact O-N 3.07Å; R83-A87 WeakPolarHBondContact O-CB 3.48Å; R83-A87 PolarHBondContact O-N 3.11Å; R83-I95 HydrophobicContact CB-CG2 4.04Å; R83-I95 HydrophobicContact CG-CB 4.03Å; R83-I95 HydrophobicContact CG-CG2 3.82Å
84D98.8Very high98.8Very high67 Ų6749.2 Ų49.236%0.35827%0.267SS..Hα-helixtrans-65.9-36.8-176.4-68.4-5.4000111.9E80 A82 R88E80-D84 PolarHBondContact O-N 3.3Å; A82-D84 VanDerWaalsContact C-N 3.29Å; A82-D84 PolarHBondContact O-N 3.21Å; D84-R88 VanDerWaalsContact C-NH1 3.35Å; D84-R88 WeakPolarHBondContact O-CG 3.48Å; D84-R88 PolarHBondContact O-N 3.41Å; D84-R88 PolarHBondContact O-NH1 2.98Å
85A98.9Very high98.8Very high5 Ų547.2 Ų47.24%0.04125%0.253CS..Hα-helixtrans-66.4-45.5174.200000112.4L68 S81 A82 R83 R88 I89L68-A85 HydrophobicContact CB-CB 4.11Å; L68-A85 HydrophobicContact CD2-CB 3.98Å; L68-A85 WeakPolarHBondContact O-CB 3.23Å; S81-A85 PolarHBondContact O-N 3.11Å; A82-A85 PolarHBondContact O-N 3.13Å; R83-A85 VanDerWaalsContact C-N 3.32Å; R83-A85 PolarHBondContact O-N 3.2Å; A85-R88 WeakPolarHBondContact O-CB 3.27Å; A85-R88 PolarHBondContact O-N 2.8Å; A85-I89 PolarHBondContact O-N 3.38Å
86L98.9Very high98.8Very high0 Ų048.4 Ų48.40%025%0.25CS..Hα-helixtrans-69.1-36.5-178.8-65.4168.6000112.4S39 Q40 A43 L52 L68 A82 R83 R88 I89 N90 I95S39-L86 WeakPolarHBondContact O-CD2 3.27Å; Q40-L86 VanDerWaalsContact CA-CD2 3.47Å; Q40-L86 HydrophobicContact CB-CD2 4.23Å; A43-L86 HydrophobicContact CB-CB 4.32Å; A43-L86 HydrophobicContact CB-CD2 3.8Å; L52-L86 HydrophobicContact CD1-CD1 3.8Å; L52-L86 HydrophobicContact CD2-CD1 4.25Å; L68-L86 HydrophobicContact CD1-CD1 4.24Å; L68-L86 HydrophobicContact CD1-CD2 3.92Å; L68-L86 HydrophobicContact CD1-CG 3.98Å; L68-L86 HydrophobicContact CD2-CD2 4.13Å; A82-L86 WeakPolarHBondContact O-CB 3.28Å; A82-L86 WeakPolarHBondContact O-CG 3.33Å; A82-L86 PolarHBondContact O-N 3.4Å; R83-L86 PolarHBondContact O-N 3.07Å; L86-R88 PolarHBondContact O-N 2.94Å; L86-I89 HydrophobicContact CD2-CD1 4.19Å; L86-I89 WeakPolarHBondContact O-CA 3.46Å; L86-I89 WeakPolarHBondContact O-CB 3.27Å; L86-I89 PolarHBondContact O-N 2.86Å; L86-N90 PolarHBondContact O-N 3.19Å; L86-I95 HydrophobicContact CB-CD1 3.47Å; L86-I95 VanDerWaalsContact CB-CD1 3.47Å
87A98.8Very high98.8Very high44 Ų4446.9 Ų46.936%0.36425%0.247SC..Hα-helixtrans-62.4-32.5174.800000112.2R83 N90 P91 I95R83-A87 WeakPolarHBondContact O-CB 3.48Å; R83-A87 PolarHBondContact O-N 3.11Å; A87-N90 CarbonylContact O-C 3.47Å; A87-P91 WeakPolarHBondContact O-CD 3.33Å; A87-I95 HydrophobicContact CB-CD1 4.42Å
88R98.7Very high98.8Very high183 Ų18347.4 Ų47.469%0.69125%0.25SC*.Hα-helixtrans-70.6-34.8171.4-66.3-171.7-51.5-89.97.2112.4D84 A85 L86D84-R88 VanDerWaalsContact C-NH1 3.35Å; D84-R88 WeakPolarHBondContact O-CG 3.48Å; D84-R88 PolarHBondContact O-N 3.41Å; D84-R88 PolarHBondContact O-NH1 2.98Å; A85-R88 WeakPolarHBondContact O-CB 3.27Å; A85-R88 PolarHBondContact O-N 2.8Å; L86-R88 PolarHBondContact O-N 2.94Å
89I98.8Very high98.8Very high66 Ų6650.7 Ų50.734%0.33827%0.268SS..Hα-helixtrans-66.9-48176.7-69.9164.8000110.2Q40 L68 A85 L86Q40-I89 HydrophobicContact CB-CD1 4.07Å; L68-I89 HydrophobicContact CD2-CD1 4.18Å; A85-I89 PolarHBondContact O-N 3.38Å; L86-I89 HydrophobicContact CD2-CD1 4.19Å; L86-I89 WeakPolarHBondContact O-CA 3.46Å; L86-I89 WeakPolarHBondContact O-CB 3.27Å; L86-I89 PolarHBondContact O-N 2.86Å
90N98.7Very high98.8Very high1 Ų152.2 Ų52.21%0.00528%0.281CS..  trans-144.498.4-179.9-166.7-3.9000112.6R3 Y4 A43 L86 A87 H92 I93R3-N90 PolarHBondContact NH1-OD1 3.43Å; Y4-N90 PolarHBondContact OH-ND2 3.44Å; Y4-N90 PolarHBondContact OH-OD1 2.75Å; A43-N90 WeakPolarHBondContact O-CB 3.48Å; A43-N90 PolarHBondContact O-ND2 2.86Å; L86-N90 PolarHBondContact O-N 3.19Å; A87-N90 CarbonylContact O-C 3.47Å; N90-H92 PolarHBondContact O-N 2.94Å; N90-H92 VanDerWaalsContact O-N 3.11Å; N90-H92 WeakPolarHBondContact OD1-CB 3.34Å; N90-H92 PolarHBondContact OD1-CD2 3.46Å; N90-H92 PolarHBondContact OD1-N 3.01Å; N90-H92 VanDerWaalsContact OD1-N 3.13Å; N90-I93 HydrophobicContact CB-CG1 4.42Å; N90-I93 WeakPolarHBondContact O-CG1 3.32Å
91P98.6Very high98.7Very high87 Ų8754.6 Ų54.657%0.56530%0.295SS*.THydrogen-bonded Turntrans-71.43.7175.727.8-39.9000115.3R3 A87R3-P91 VanDerWaalsContact NH1-CD 3.34Å; A87-P91 WeakPolarHBondContact O-CD 3.33Å
92H98.4Very high98.6Very high131 Ų13155.8 Ų55.861%0.60630%0.301SS*.THydrogen-bonded Turntrans-95.8-1.6-178.5-57.3-45.4000114.2R3 N90R3-H92 PolarHBondContact NH1-CD2 2.83Å; R3-H92 PolarHBondContact NH1-NE2 3.23Å; N90-H92 PolarHBondContact O-N 2.94Å; N90-H92 VanDerWaalsContact O-N 3.11Å; N90-H92 WeakPolarHBondContact OD1-CB 3.34Å; N90-H92 PolarHBondContact OD1-CD2 3.46Å; N90-H92 PolarHBondContact OD1-N 3.01Å; N90-H92 VanDerWaalsContact OD1-N 3.13Å
93I98.8Very high98.6Very high22 Ų2259.9 Ų59.911%0.11332%0.323CS..SBendtrans-109.3155.3-178.665.6157.3000110.1A43 V47 G48 L50 N90 I95A43-I93 HydrophobicContact CB-CD1 3.64Å; V47-I93 WeakPolarHBondContact O-CB 3.28Å; V47-I93 WeakPolarHBondContact O-CG2 3.45Å; G48-I93 CarbonylContact O-C 3.54Å; G48-I93 WeakPolarHBondContact O-CA 3.29Å; L50-I93 HydrophobicContact CD1-CD1 3.71Å; L50-I93 HydrophobicContact CG-CD1 4.08Å; N90-I93 HydrophobicContact CB-CG1 4.42Å; N90-I93 WeakPolarHBondContact O-CG1 3.32Å; I93-I95 HydrophobicContact CD1-CD1 3.74Å; I93-I95 HydrophobicContact CD1-CG1 3.7Å; I93-I95 HydrophobicContact CG1-CD1 4.06Å; I93-I95 HydrophobicContact CG1-CG1 3.9Å
94A98.9Very high98.4Very high45 Ų4561.8 Ų61.837%0.37234%0.339SS..EExtended strand (participates in β ladder)trans-89.7135.5170.200000109.7G48 N49 L50G48-A94 PolarHBondContact O-N 2.9Å; N49-A94 WeakPolarHBondContact CA-O 3.39Å; L50-A94 PolarHBondContact N-O 3.03Å
95I98.9Very high98.4Very high27 Ų2762 Ų6214%0.13835%0.35CS..EExtended strand (participates in β ladder)trans-131.9116.5-178.6-48.2-179.4000109.4L50 L52 R83 L86 A87 I93 P97L50-I95 CarbonylContact O-C 3.56Å; L50-I95 VanDerWaalsContact O-CA 3.28Å; L50-I95 WeakPolarHBondContact O-CA 3.45Å; L52-I95 HydrophobicContact CD1-CG2 3.63Å; L52-I95 HydrophobicContact CG-CG2 3.89Å; R83-I95 HydrophobicContact CB-CG2 4.04Å; R83-I95 HydrophobicContact CG-CB 4.03Å; R83-I95 HydrophobicContact CG-CG2 3.82Å; L86-I95 HydrophobicContact CB-CD1 3.47Å; L86-I95 VanDerWaalsContact CB-CD1 3.47Å; A87-I95 HydrophobicContact CB-CD1 4.42Å; I93-I95 HydrophobicContact CD1-CD1 3.74Å; I93-I95 HydrophobicContact CD1-CG1 3.7Å; I93-I95 HydrophobicContact CG1-CD1 4.06Å; I93-I95 HydrophobicContact CG1-CG1 3.9Å; I95-P97 WeakPolarHBondContact O-CD 3.36Å
96T98.9Very high98.4Very high75 Ų7566.4 Ų66.446%0.4637%0.37SS..EExtended strand (participates in β ladder)trans-109106.3-176.8-57.40000109.8L50 T51 L52 V98L50-T96 PolarHBondContact O-N 3.16Å; T51-T96 CarbonylContact C-O 3.54Å; T51-T96 WeakPolarHBondContact CA-O 3.43Å; L52-T96 PolarHBondContact N-O 2.9Å; T96-V98 HydrophobicContact CG2-CG2 4.4Å
97P98.9Very high98.3Very high41 Ų4166.7 Ų66.727%0.26637%0.371SS..EExtended strand (participates in β ladder)trans-78.9131.9172.933.2-34.8000110.7V79 I95V79-P97 HydrophobicContact CB-CB 3.76Å; V79-P97 HydrophobicContact CG2-CB 3.81Å; I95-P97 WeakPolarHBondContact O-CD 3.36Å
98V98.9Very high98.3Very high34 Ų3466.6 Ų66.621%0.20637%0.371CS..EExtended strand (participates in β ladder)trans-12098.3173.1-175.90000107.6T51 L52 L53 D54 T96 A100T51-V98 HydrophobicContact CG2-CG2 3.74Å; L52-V98 PolarHBondContact O-N 2.93Å; L53-V98 HydrophobicContact CD1-CB 3.95Å; L53-V98 HydrophobicContact CD1-CG1 3.67Å; D54-V98 PolarHBondContact N-O 3.12Å; T96-V98 HydrophobicContact CG2-CG2 4.4Å; V98-A100 HydrophobicContact CG1-CB 4.17Å; V98-A100 PolarHBondContact O-N 2.97Å
99N98.7Very high98.3Very high82 Ų8260.6 Ų60.644%0.43936%0.36SS..EExtended strand (participates in β ladder)trans-86.978.4179.3-174.919.9000110.3D54 P77 V79D54-N99 WeakPolarHBondContact O-CA 3.27Å; D54-N99 PolarHBondContact O-OD1 3.1Å; P77-N99 WeakPolarHBondContact CG-ND2 3.32Å; V79-N99 HydrophobicContact CG2-CB 3.66Å
100A98.3Very high98.3Very high33 Ų3358.6 Ų58.627%0.27335%0.35SS..SBendtrans-156.1155.9-174.400000112.9L53 D54 V98 L102L53-A100 WeakPolarHBondContact CD1-O 3.41Å; D54-A100 PolarHBondContact O-N 2.64Å; V98-A100 HydrophobicContact CG1-CB 4.17Å; V98-A100 PolarHBondContact O-N 2.97Å; A100-L102 HydrophobicContact CB-CD2 3.68Å; A100-L102 HydrophobicContact CB-CG 4.43Å
101L97.1Very high98.3Very high123 Ų12358.6 Ų58.664%0.64435%0.35SS*.  trans-102.1107.6161.2179.165.4000107.3F55F55-L101 HydrophobicContact CB-CB 4.01Å; F55-L101 HydrophobicContact CD1-CD1 4.11Å; F55-L101 HydrophobicContact CG-CB 4.34Å
102L97.6Very high98.3Very high28 Ų2857.7 Ų57.715%0.14735%0.35CS..  trans-87.5143.9-172.9-58.9-176.3000112.2L53 A100 E106 L107 L110 Q129L53-L102 HydrophobicContact CD1-CD1 3.97Å; L53-L102 HydrophobicContact CD1-CG 3.99Å; L53-L102 HydrophobicContact CD2-CD1 3.76Å; L53-L102 HydrophobicContact CD2-CG 4.24Å; A100-L102 HydrophobicContact CB-CD2 3.68Å; A100-L102 HydrophobicContact CB-CG 4.43Å; L102-E106 WeakPolarHBondContact CA-OE2 3.45Å; L102-E106 HydrophobicContact CB-CB 3.96Å; L102-E106 HydrophobicContact CD1-CB 4.48Å; L102-E106 HydrophobicContact CD2-CB 4.12Å; L102-E106 HydrophobicContact CG-CB 4.4Å; L102-L107 HydrophobicContact CB-CB 4.19Å; L102-L107 HydrophobicContact CD1-CD1 4.15Å; L102-L110 HydrophobicContact CD1-CB 4.49Å; L102-L110 HydrophobicContact CD1-CD2 3.69Å; L102-Q129 PolarHBondContact O-NE2 3.35Å
103D97Very high98.3Very high86 Ų8657.5 Ų57.546%0.4635%0.349SS..  trans-76.4177.5167.877.126.8000112.4A105 E106 L107 Q129D103-A105 VanDerWaalsContact C-N 3.3Å; D103-A105 PolarHBondContact O-N 2.84Å; D103-A105 WeakPolarHBondContact OD1-CA 3.41Å; D103-A105 WeakPolarHBondContact OD1-CB 3.41Å; D103-A105 PolarHBondContact OD1-N 2.92Å; D103-E106 PolarHBondContact N-OE2 3.46Å; D103-E106 WeakPolarHBondContact OD1-CG 3.5Å; D103-E106 PolarHBondContact OD1-N 2.98Å; D103-L107 WeakPolarHBondContact O-CB 3.28Å; D103-L107 PolarHBondContact O-N 2.63Å; D103-Q129 VanDerWaalsContact C-NE2 3.3Å; D103-Q129 PolarHBondContact O-NE2 2.85Å
104D96.4Very high98.3Very high117 Ų11757 Ų5763%0.62635%0.347SS*.Hα-helixtrans-60.7-36.9-178.1-69.2-16.4000113.4A108 Q129D104-A108 WeakPolarHBondContact O-CB 3.38Å; D104-A108 PolarHBondContact O-N 2.88Å; D104-Q129 VanDerWaalsContact OD1-CD 3.22Å; D104-Q129 WeakPolarHBondContact OD1-CG 3.45Å; D104-Q129 PolarHBondContact OD1-NE2 2.77Å
105A97.8Very high98.3Very high72 Ų7258.8 Ų58.860%0.59535%0.349SS*.Hα-helixtrans-76.2-45-176.800000110.9D103 A108 A109D103-A105 VanDerWaalsContact C-N 3.3Å; D103-A105 PolarHBondContact O-N 2.84Å; D103-A105 WeakPolarHBondContact OD1-CA 3.41Å; D103-A105 WeakPolarHBondContact OD1-CB 3.41Å; D103-A105 PolarHBondContact OD1-N 2.92Å; A105-A108 PolarHBondContact O-N 3.16Å; A105-A109 PolarHBondContact O-N 3.16Å
106E98.4Very high98.3Very high97 Ų9757.5 Ų57.545%0.45334%0.343SS..Hα-helixtrans-61.2-45.3175-67.4174.7139.600111L102 D103 A109 L110L102-E106 WeakPolarHBondContact CA-OE2 3.45Å; L102-E106 HydrophobicContact CB-CB 3.96Å; L102-E106 HydrophobicContact CD1-CB 4.48Å; L102-E106 HydrophobicContact CD2-CB 4.12Å; L102-E106 HydrophobicContact CG-CB 4.4Å; D103-E106 PolarHBondContact N-OE2 3.46Å; D103-E106 WeakPolarHBondContact OD1-CG 3.5Å; D103-E106 PolarHBondContact OD1-N 2.98Å; E106-A109 PolarHBondContact O-N 3.17Å; E106-L110 WeakPolarHBondContact O-CB 3.49Å; E106-L110 PolarHBondContact O-N 3.44Å
107L98.4Very high98.3Very high6 Ų654 Ų543%0.03132%0.321CS..Hα-helixtrans-68.5-38.6179.8-168.863.4000111.7L53 L102 D103 L110 I111 Q129 L130L53-L107 HydrophobicContact CD2-CD1 3.7Å; L102-L107 HydrophobicContact CB-CB 4.19Å; L102-L107 HydrophobicContact CD1-CD1 4.15Å; D103-L107 WeakPolarHBondContact O-CB 3.28Å; D103-L107 PolarHBondContact O-N 2.63Å; L107-L110 PolarHBondContact O-N 2.69Å; L107-I111 HydrophobicContact CG-CD1 3.94Å; L107-I111 HydrophobicContact CG-CG1 4.44Å; L107-I111 WeakPolarHBondContact O-CB 3.35Å; L107-I111 WeakPolarHBondContact O-CD1 3.46Å; L107-I111 WeakPolarHBondContact O-CG1 3.24Å; L107-I111 PolarHBondContact O-N 2.67Å; L107-Q129 HydrophobicContact CD2-CB 4.33Å; L107-Q129 HydrophobicContact CD2-CG 3.8Å; L107-L130 HydrophobicContact CD1-CD2 4.06Å; L107-L130 HydrophobicContact CD2-CD2 3.77Å; L107-L130 HydrophobicContact CD2-CG 4.32Å; L107-L130 HydrophobicContact CG-CD2 4.22Å
108A98Very high98.3Very high43 Ų4352 Ų5236%0.35531%0.309SS..Hα-helixtrans-62.6-42.9175.200000112.2D104 A105 I111 A112D104-A108 WeakPolarHBondContact O-CB 3.38Å; D104-A108 PolarHBondContact O-N 2.88Å; A105-A108 PolarHBondContact O-N 3.16Å; A108-I111 PolarHBondContact O-N 2.87Å; A108-A112 PolarHBondContact O-N 2.92Å
109A98.5Very high98.3Very high57 Ų5750.4 Ų50.447%0.47130%0.299SS..Hα-helixtrans-61.3-47.4174.700000111A105 E106 I111 A112A105-A109 PolarHBondContact O-N 3.16Å; E106-A109 PolarHBondContact O-N 3.17Å; A109-I111 PolarHBondContact O-N 3Å; A109-A112 PolarHBondContact O-N 3.45Å
110L98.7Very high98.3Very high24 Ų2446.8 Ų46.813%0.12628%0.28CS..Hα-helixtrans-63.9-41.3179.8-169.566.1000112.3L27 T51 L53 L102 E106 L107 A112 E113 H114L27-L110 HydrophobicContact CD1-CD2 3.84Å; L27-L110 HydrophobicContact CD1-CG 4.34Å; L27-L110 HydrophobicContact CD2-CD2 4.03Å; L27-L110 HydrophobicContact CD2-CG 4.09Å; T51-L110 HydrophobicContact CG2-CD1 4.42Å; L53-L110 HydrophobicContact CD2-CD2 4.22Å; L102-L110 HydrophobicContact CD1-CB 4.49Å; L102-L110 HydrophobicContact CD1-CD2 3.69Å; E106-L110 WeakPolarHBondContact O-CB 3.49Å; E106-L110 PolarHBondContact O-N 3.44Å; L107-L110 PolarHBondContact O-N 2.69Å; L110-A112 VanDerWaalsContact C-N 3.29Å; L110-A112 PolarHBondContact O-N 2.96Å; L110-E113 PolarHBondContact O-N 2.79Å; L110-H114 PolarHBondContact O-CE1 3.22Å; L110-H114 PolarHBondContact O-ND1 3.21Å
111I98.8Very high98.1Very high0 Ų046 Ų460%027%0.272CS..Hα-helixtrans-58.4-42.7176.6-74.5164.8000110.8L27 L107 A108 A109 E113 H114 V117 L130 A137 V139L27-I111 HydrophobicContact CD2-CG1 4.19Å; L107-I111 HydrophobicContact CG-CD1 3.94Å; L107-I111 HydrophobicContact CG-CG1 4.44Å; L107-I111 WeakPolarHBondContact O-CB 3.35Å; L107-I111 WeakPolarHBondContact O-CD1 3.46Å; L107-I111 WeakPolarHBondContact O-CG1 3.24Å; L107-I111 PolarHBondContact O-N 2.67Å; A108-I111 PolarHBondContact O-N 2.87Å; A109-I111 PolarHBondContact O-N 3Å; I111-E113 PolarHBondContact O-N 3.01Å; I111-E113 VanDerWaalsContact O-N 3.17Å; I111-H114 PolarHBondContact O-N 3.47Å; I111-H114 VanDerWaalsContact O-N 3.13Å; I111-V117 HydrophobicContact CG1-CG2 4.11Å; I111-V117 HydrophobicContact CG2-CG2 4.19Å; I111-L130 HydrophobicContact CD1-CD2 4.37Å; I111-A137 HydrophobicContact CG2-CB 4.08Å; I111-V139 HydrophobicContact CG2-CB 3.95Å; I111-V139 HydrophobicContact CG2-CG1 4.31Å; I111-V139 HydrophobicContact CG2-CG2 4.07Å
112A98.5Very high97.7Very high68 Ų6844.4 Ų44.456%0.56226%0.264SS*.Hα-helixtrans-66-16.1-177.200000114.3A108 A109 L110 H114A108-A112 PolarHBondContact O-N 2.92Å; A109-A112 PolarHBondContact O-N 3.45Å; L110-A112 VanDerWaalsContact C-N 3.29Å; L110-A112 PolarHBondContact O-N 2.96Å; A112-H114 VanDerWaalsContact C-N 3.33Å
113E98.7Very high97.2Very high128 Ų12846.9 Ų46.960%0.59828%0.277SS*.THydrogen-bonded Turntrans-85.2-3.8176.8-64.4177.7-177.900113.8R25 L110 I111R25-E113 VanDerWaalsContact CD-O 3.31Å; R25-E113 WeakPolarHBondContact CD-O 3.31Å; L110-E113 PolarHBondContact O-N 2.79Å; I111-E113 PolarHBondContact O-N 3.01Å; I111-E113 VanDerWaalsContact O-N 3.17Å
114H98.9Very high96.8Very high12 Ų1245.8 Ų45.86%0.05627%0.274CS..  trans-121.6148.5-172-63.679.8000112L27 T51 L110 I111 A112 L116 V139L27-H114 HydrophobicContact CB-CB 4.2Å; L27-H114 PolarHBondContact N-CD2 3.06Å; T51-H114 WeakPolarHBondContact CB-NE2 3.49Å; T51-H114 PolarHBondContact OG1-NE2 2.98Å; L110-H114 PolarHBondContact O-CE1 3.22Å; L110-H114 PolarHBondContact O-ND1 3.21Å; I111-H114 PolarHBondContact O-N 3.47Å; I111-H114 VanDerWaalsContact O-N 3.13Å; A112-H114 VanDerWaalsContact C-N 3.33Å; H114-L116 VanDerWaalsContact C-N 3.33Å; H114-V139 WeakPolarHBondContact O-CG1 3.4Å; H114-V139 WeakPolarHBondContact O-CG2 3.48Å
115D98.9Very high96.5Very high81 Ų8143.4 Ų43.443%0.43327%0.27SS..SBendtrans-78.9-22.9177.9-54.5-62.7000111.8S24 R25 P140 L204S24-D115 WeakPolarHBondContact CA-OD2 3.42Å; R25-D115 PolarHBondContact N-OD2 3.46Å; R25-D115 PolarHBondContact O-N 3.4Å; D115-P140 WeakPolarHBondContact O-CD 3.31Å; D115-L204 HydrophobicContact CB-CD2 3.93Å
116L98.9Very high96.3Very high1 Ų141.4 Ų41.41%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-158.7144.8-176.2-173.5148.1000111.5R25 V26 L27 H114 L118 P140 V142 A200 L203 L204R25-L116 PolarHBondContact O-N 3.13Å; V26-L116 WeakPolarHBondContact CA-O 3.43Å; V26-L116 HydrophobicContact CG1-CD2 4.04Å; V26-L116 HydrophobicContact CG2-CB 4.43Å; L27-L116 PolarHBondContact N-O 3.45Å; H114-L116 VanDerWaalsContact C-N 3.33Å; L116-L118 HydrophobicContact CD2-CD1 3.2Å; L116-P140 HydrophobicContact CD1-CB 4.48Å; L116-P140 HydrophobicContact CG-CB 4.48Å; L116-V142 HydrophobicContact CD1-CG2 4.17Å; L116-V142 HydrophobicContact CD2-CG2 4.06Å; L116-V142 HydrophobicContact CG-CG2 4.39Å; L116-A200 HydrophobicContact CD1-CB 4.06Å; L116-A200 HydrophobicContact CD2-CB 3.74Å; L116-L203 HydrophobicContact CD1-CB 3.65Å; L116-L203 HydrophobicContact CD1-CD1 3.47Å; L116-L203 VanDerWaalsContact CD1-CD1 3.47Å; L116-L203 HydrophobicContact CD1-CG 4.23Å; L116-L204 HydrophobicContact CB-CD2 3.88Å; L116-L204 HydrophobicContact CD1-CD2 4.29Å; L116-L204 HydrophobicContact CD1-CG 4.27Å
117V99Very high96.2Very high0 Ų037.2 Ų37.20%023%0.23CC..EExtended strand (participates in β ladder)trans-117.2136.41771790000110.3L27 V29 I111 L130 V139 P140 L141 V142L27-V117 HydrophobicContact CB-CG2 4.13Å; L27-V117 HydrophobicContact CD2-CG1 4.41Å; L27-V117 HydrophobicContact CD2-CG2 4.24Å; L27-V117 HydrophobicContact CG-CG1 4.48Å; L27-V117 CarbonylContact O-C 3.5Å; L27-V117 WeakPolarHBondContact O-CA 3.32Å; V29-V117 HydrophobicContact CG2-CG1 4.23Å; I111-V117 HydrophobicContact CG1-CG2 4.11Å; I111-V117 HydrophobicContact CG2-CG2 4.19Å; V117-L130 HydrophobicContact CG1-CD2 4.24Å; V117-V139 HydrophobicContact CG2-CG1 3.85Å; V117-P140 PolarHBondContact N-O 2.95Å; V117-L141 HydrophobicContact CB-CD1 3.91Å; V117-L141 HydrophobicContact CG1-CD1 3.64Å; V117-L141 WeakPolarHBondContact O-CA 3.3Å; V117-V142 PolarHBondContact O-N 3.18Å
118L98.9Very high96.1Very high0 Ų038.7 Ų38.70%024%0.238CC..EExtended strand (participates in β ladder)trans-103.5120.1168.2-101.366.5000109.7V26 L27 V28 V29 A38 L42 L116 C120 V142 Q196 A200V26-L118 HydrophobicContact CG1-CD1 4.12Å; L27-L118 PolarHBondContact O-N 3.34Å; V28-L118 HydrophobicContact CG1-CB 4.42Å; V28-L118 HydrophobicContact CG2-CB 4.38Å; V29-L118 PolarHBondContact N-O 3.23Å; A38-L118 HydrophobicContact CB-CD2 3.51Å; L42-L118 HydrophobicContact CD1-CD2 3.94Å; L116-L118 HydrophobicContact CD2-CD1 3.2Å; L118-C120 PolarHBondContact O-N 3.37Å; L118-V142 HydrophobicContact CD1-CB 3.93Å; L118-V142 HydrophobicContact CD1-CG2 4.31Å; L118-V142 HydrophobicContact CG-CB 4.27Å; L118-Q196 HydrophobicContact CD2-CB 3.94Å; L118-Q196 HydrophobicContact CG-CB 4.28Å; L118-A200 HydrophobicContact CD1-CB 3.87Å
119D98.6Very high96Very high0 Ų038.3 Ų38.30%023%0.229CC..EExtended strand (participates in β ladder)trans-88.8102.1167.5162.930.8000109.3T121 R127 L130 L141 V142 S143 G144 Q196D119-T121 WeakPolarHBondContact OD1-CB 3.38Å; D119-T121 PolarHBondContact OD1-N 3Å; D119-T121 VanDerWaalsContact OD1-N 3.16Å; D119-T121 PolarHBondContact OD1-OG1 2.88Å; D119-R127 IonicContact OD1-CZ 2.83Å; D119-R127 IonicContact OD1-NH1 3.3Å; D119-R127 VanDerWaalsContact OD2-CG 3.28Å; D119-R127 WeakPolarHBondContact OD2-CG 3.28Å; D119-R127 IonicContact OD2-CZ 2.63Å; D119-R127 IonicContact OD2-NE 3.5Å; D119-R127 IonicContact OD2-NH1 2.82Å; D119-R127 PolarHBondContact OD2-NH1 2.64Å; D119-L130 HydrophobicContact CB-CD1 3.86Å; D119-L141 HydrophobicContact CB-CD1 3.82Å; D119-L141 HydrophobicContact CB-CG 4.47Å; D119-V142 PolarHBondContact N-O 2.82Å; D119-S143 PolarHBondContact OD2-OG 3.1Å; D119-G144 PolarHBondContact O-N 3.22Å; D119-Q196 PolarHBondContact O-NE2 2.78Å
120C98.2Very high96Very high7 Ų735.6 Ų35.65%0.04721%0.207CC..  trans-112.419.8177.6-66.60000111.5V29 G30 L34 L118 Q196V29-C120 CarbonylContact O-C 3.59Å; V29-C120 VanDerWaalsContact O-CA 3.3Å; V29-C120 WeakPolarHBondContact O-CA 3.48Å; V29-C120 VanDerWaalsContact O-CB 3.26Å; V29-C120 WeakPolarHBondContact O-CB 3.37Å; V29-C120 PolarHBondContact O-N 3Å; G30-C120 WeakPolarHBondContact O-CB 3.49Å; L34-C120 HydrophobicContact CB-CB 3.83Å; L118-C120 PolarHBondContact O-N 3.37Å; C120-Q196 PolarHBondContact SG-NE2 3.21Å; C120-Q196 VanDerWaalsContact SG-NE2 3.44Å
121T95.5Very high96Very high17 Ų1734.5 Ų34.510%0.10420%0.201CC..  trans-81171.3-17869.80000111V29 D119 V126 R127 L130V29-T121 HydrophobicContact CB-CG2 4.32Å; V29-T121 HydrophobicContact CG1-CG2 3.8Å; V29-T121 WeakPolarHBondContact O-CG2 3.08Å; V29-T121 PolarHBondContact O-N 2.89Å; D119-T121 WeakPolarHBondContact OD1-CB 3.38Å; D119-T121 PolarHBondContact OD1-N 3Å; D119-T121 VanDerWaalsContact OD1-N 3.16Å; D119-T121 PolarHBondContact OD1-OG1 2.88Å; T121-V126 HydrophobicContact CG2-CB 4.33Å; T121-V126 HydrophobicContact CG2-CG1 3.76Å; T121-R127 PolarHBondContact O-NH2 3.05Å; T121-R127 VanDerWaalsContact OG1-CG 3.32Å; T121-R127 WeakPolarHBondContact OG1-CG 3.47Å; T121-L130 HydrophobicContact CG2-CD1 4.22Å
122D88.1Confident95.9Very high88 Ų8836.6 Ų36.647%0.47122%0.218SC..SBendtrans-118.710.8173.860.1-2.1000112.9
123N86.2Confident95.9Very high80 Ų8033.9 Ų33.943%0.42820%0.197SC..  trans-120.6120.8-174-175.6-31.7000112.1A125 V126 R127N123-A125 PolarHBondContact O-N 2.66Å; N123-A125 VanDerWaalsContact OD1-CB 3.25Å; N123-A125 WeakPolarHBondContact OD1-CB 3.3Å; N123-A125 PolarHBondContact OD1-N 3.08Å; N123-V126 HydrophobicContact CB-CG2 4.23Å; N123-V126 PolarHBondContact O-N 2.87Å; N123-R127 VanDerWaalsContact O-CG 3.3Å; N123-R127 WeakPolarHBondContact O-CG 3.19Å; N123-R127 PolarHBondContact O-N 3.37Å
124V89.2Confident95.9Very high64 Ų6427.8 Ų27.839%0.38817%0.169SC..Hα-helixtrans-56.2-34179.8176.30000113.4R127 N128V124-R127 PolarHBondContact O-N 3.22Å; V124-N128 PolarHBondContact O-N 2.71Å; V124-N128 PolarHBondContact O-ND2 2.99Å; V124-N128 VanDerWaalsContact O-ND2 3.13Å
125A90.8Very high95.9Very high66 Ų6629.8 Ų29.855%0.54518%0.177SC..Hα-helixtrans-62.3-51.2177.500000111.2N123 R127 N128 Q129N123-A125 PolarHBondContact O-N 2.66Å; N123-A125 VanDerWaalsContact OD1-CB 3.25Å; N123-A125 WeakPolarHBondContact OD1-CB 3.3Å; N123-A125 PolarHBondContact OD1-N 3.08Å; A125-R127 VanDerWaalsContact C-N 3.3Å; A125-R127 PolarHBondContact O-N 3.39Å; A125-N128 PolarHBondContact O-N 3.11Å; A125-Q129 PolarHBondContact O-N 3.32Å
126V93.9Very high95.8Very high30 Ų3029.8 Ų29.818%0.18219%0.189CC..Hα-helixtrans-63.5-37.8177.3-173.90000110.8T121 N123 N128 Q129 L130T121-V126 HydrophobicContact CG2-CB 4.33Å; T121-V126 HydrophobicContact CG2-CG1 3.76Å; N123-V126 HydrophobicContact CB-CG2 4.23Å; N123-V126 PolarHBondContact O-N 2.87Å; V126-N128 PolarHBondContact O-N 3.27Å; V126-Q129 VanDerWaalsContact O-CB 3.3Å; V126-Q129 WeakPolarHBondContact O-CB 3.36Å; V126-Q129 PolarHBondContact O-N 3.28Å; V126-L130 HydrophobicContact CG1-CD1 4.16Å; V126-L130 HydrophobicContact CG1-CG 4.32Å; V126-L130 WeakPolarHBondContact O-CG 3.32Å; V126-L130 PolarHBondContact O-N 3.13Å
127R95.8Very high95.8Very high10 Ų1031.8 Ų31.84%0.03821%0.206CC..Hα-helixtrans-61-42.4174.7-62.1179.9176.1-97.26.8112.7D119 T121 N123 V124 A125 Q129 N131 S143 G144 Y165D119-R127 IonicContact OD1-CZ 2.83Å; D119-R127 IonicContact OD1-NH1 3.3Å; D119-R127 VanDerWaalsContact OD2-CG 3.28Å; D119-R127 WeakPolarHBondContact OD2-CG 3.28Å; D119-R127 IonicContact OD2-CZ 2.63Å; D119-R127 IonicContact OD2-NE 3.5Å; D119-R127 IonicContact OD2-NH1 2.82Å; D119-R127 PolarHBondContact OD2-NH1 2.64Å; T121-R127 PolarHBondContact O-NH2 3.05Å; T121-R127 VanDerWaalsContact OG1-CG 3.32Å; T121-R127 WeakPolarHBondContact OG1-CG 3.47Å; N123-R127 VanDerWaalsContact O-CG 3.3Å; N123-R127 WeakPolarHBondContact O-CG 3.19Å; N123-R127 PolarHBondContact O-N 3.37Å; V124-R127 PolarHBondContact O-N 3.22Å; A125-R127 VanDerWaalsContact C-N 3.3Å; A125-R127 PolarHBondContact O-N 3.39Å; R127-Q129 VanDerWaalsContact C-N 3.34Å; R127-N131 VanDerWaalsContact O-CB 3.29Å; R127-N131 WeakPolarHBondContact O-CB 3.49Å; R127-N131 PolarHBondContact O-N 3.4Å; R127-S143 PolarHBondContact NH1-OG 3.17Å; R127-S143 VanDerWaalsContact NH1-OG 3.12Å; R127-G144 VanDerWaalsContact CZ-O 3.28Å; R127-G144 PolarHBondContact NH1-O 3.19Å; R127-G144 PolarHBondContact NH2-O 3.38Å; R127-Y165 HydrophobicContact CB-CD1 4.06Å; R127-Y165 HydrophobicContact CB-CE1 3.42Å; R127-Y165 VanDerWaalsContact CB-CE1 3.42Å; R127-Y165 VanDerWaalsContact CD-OH 3.23Å; R127-Y165 WeakPolarHBondContact CD-OH 3.16Å
128N95.6Very high95.8Very high36 Ų3636.7 Ų36.719%0.19323%0.227CC..Hα-helixtrans-67-37.7175.4-73.4-42.3000111.4V124 A125 V126 N131 A132 Y165 S169V124-N128 PolarHBondContact O-N 2.71Å; V124-N128 PolarHBondContact O-ND2 2.99Å; V124-N128 VanDerWaalsContact O-ND2 3.13Å; A125-N128 PolarHBondContact O-N 3.11Å; V126-N128 PolarHBondContact O-N 3.27Å; N128-N131 PolarHBondContact O-N 2.87Å; N128-A132 WeakPolarHBondContact O-CB 3.45Å; N128-A132 PolarHBondContact O-N 3.43Å; N128-Y165 WeakPolarHBondContact OD1-CD1 3.48Å; N128-S169 PolarHBondContact OD1-OG 3.25Å
129Q96.7Very high95.8Very high36 Ų3637.4 Ų37.417%0.16823%0.231CC..Hα-helixtrans-60.4-52.6175.1-158.8-172.4-1.900111.6L102 D103 D104 L107 A125 V126 R127 N131 A132 G133L102-Q129 PolarHBondContact O-NE2 3.35Å; D103-Q129 VanDerWaalsContact C-NE2 3.3Å; D103-Q129 PolarHBondContact O-NE2 2.85Å; D104-Q129 VanDerWaalsContact OD1-CD 3.22Å; D104-Q129 WeakPolarHBondContact OD1-CG 3.45Å; D104-Q129 PolarHBondContact OD1-NE2 2.77Å; L107-Q129 HydrophobicContact CD2-CB 4.33Å; L107-Q129 HydrophobicContact CD2-CG 3.8Å; A125-Q129 PolarHBondContact O-N 3.32Å; V126-Q129 VanDerWaalsContact O-CB 3.3Å; V126-Q129 WeakPolarHBondContact O-CB 3.36Å; V126-Q129 PolarHBondContact O-N 3.28Å; R127-Q129 VanDerWaalsContact C-N 3.34Å; Q129-N131 VanDerWaalsContact C-N 3.31Å; Q129-N131 PolarHBondContact O-N 2.92Å; Q129-A132 PolarHBondContact O-N 3.39Å; Q129-A132 VanDerWaalsContact O-N 3.16Å; Q129-G133 PolarHBondContact O-N 3.02Å
130L98.4Very high95.8Very high0 Ų038.8 Ų38.80%024%0.24CC..Hα-helixtrans-57.6-44.9176-70.3170.2000111.3V29 L107 I111 V117 D119 T121 V126 A132 G133 C134 L141V29-L130 HydrophobicContact CB-CD1 4.01Å; V29-L130 HydrophobicContact CB-CD2 4.25Å; V29-L130 HydrophobicContact CG1-CD1 4.06Å; V29-L130 HydrophobicContact CG1-CD2 4.27Å; V29-L130 HydrophobicContact CG2-CD1 4.34Å; V29-L130 HydrophobicContact CG2-CD2 3.74Å; L107-L130 HydrophobicContact CD1-CD2 4.06Å; L107-L130 HydrophobicContact CD2-CD2 3.77Å; L107-L130 HydrophobicContact CD2-CG 4.32Å; L107-L130 HydrophobicContact CG-CD2 4.22Å; I111-L130 HydrophobicContact CD1-CD2 4.37Å; V117-L130 HydrophobicContact CG1-CD2 4.24Å; D119-L130 HydrophobicContact CB-CD1 3.86Å; T121-L130 HydrophobicContact CG2-CD1 4.22Å; V126-L130 HydrophobicContact CG1-CD1 4.16Å; V126-L130 HydrophobicContact CG1-CG 4.32Å; V126-L130 WeakPolarHBondContact O-CG 3.32Å; V126-L130 PolarHBondContact O-N 3.13Å; L130-A132 PolarHBondContact O-N 2.91Å; L130-G133 PolarHBondContact O-N 3.09Å; L130-C134 WeakPolarHBondContact O-CB 3.44Å; L130-C134 PolarHBondContact O-N 3.49Å; L130-C134 PolarHBondContact O-SG 3.22Å; L130-L141 HydrophobicContact CB-CD2 4.48Å
131N98.2Very high95.8Very high0 Ų038.5 Ų38.50%024%0.238CC..Hα-helixtrans-61-42.5177.1171.181.2000112.9R127 N128 Q129 F135 L141 Y158 C164 Y165R127-N131 VanDerWaalsContact O-CB 3.29Å; R127-N131 WeakPolarHBondContact O-CB 3.49Å; R127-N131 PolarHBondContact O-N 3.4Å; N128-N131 PolarHBondContact O-N 2.87Å; Q129-N131 VanDerWaalsContact C-N 3.31Å; Q129-N131 PolarHBondContact O-N 2.92Å; N131-F135 WeakPolarHBondContact O-CB 3.5Å; N131-F135 PolarHBondContact O-N 3.35Å; N131-L141 HydrophobicContact CB-CD2 4.3Å; N131-Y158 PolarHBondContact OD1-OH 3.36Å; N131-C164 VanDerWaalsContact OD1-CB 3.29Å; N131-C164 WeakPolarHBondContact OD1-CB 3.32Å; N131-Y165 HydrophobicContact CB-CD1 4.41Å; N131-Y165 HydrophobicContact CB-CG 4.45Å; N131-Y165 VanDerWaalsContact OD1-CB 3.32Å; N131-Y165 WeakPolarHBondContact OD1-CB 3.16Å; N131-Y165 PolarHBondContact OD1-N 2.84Å
132A97.7Very high96Very high44 Ų4437.7 Ų37.736%0.36423%0.233SC..Hα-helixtrans-64.2-48.5178.300000111.2N128 Q129 L130 F135 A136N128-A132 WeakPolarHBondContact O-CB 3.45Å; N128-A132 PolarHBondContact O-N 3.43Å; Q129-A132 PolarHBondContact O-N 3.39Å; Q129-A132 VanDerWaalsContact O-N 3.16Å; L130-A132 PolarHBondContact O-N 2.91Å; A132-F135 PolarHBondContact O-N 3.5Å; A132-A136 WeakPolarHBondContact O-CB 3.39Å; A132-A136 PolarHBondContact O-N 3.07Å
133G98.3Very high96.5Very high12 Ų1233.8 Ų33.812%0.12421%0.213CC..Hα-helixtrans-62-46.6177.800000112.7Q129 L130 F135 A136 A137Q129-G133 PolarHBondContact O-N 3.02Å; L130-G133 PolarHBondContact O-N 3.09Å; G133-F135 PolarHBondContact O-N 2.86Å; G133-A136 PolarHBondContact O-N 3.29Å; G133-A137 WeakPolarHBondContact O-CB 3.38Å; G133-A137 PolarHBondContact O-N 3.28Å
134C98.7Very high97Very high0 Ų030 Ų300%019%0.192CC..Hα-helixtrans-64.9-40.1178.1-690000112.3L130 A136 A137 K138 V139 L141 Y158L130-C134 WeakPolarHBondContact O-CB 3.44Å; L130-C134 PolarHBondContact O-N 3.49Å; L130-C134 PolarHBondContact O-SG 3.22Å; C134-A136 VanDerWaalsContact C-N 3.34Å; C134-A136 PolarHBondContact O-N 3.32Å; C134-A137 PolarHBondContact O-N 3.07Å; C134-K138 WeakPolarHBondContact O-CA 3.47Å; C134-K138 PolarHBondContact O-N 3.19Å; C134-V139 WeakPolarHBondContact CB-O 3.38Å; C134-V139 PolarHBondContact O-N 2.93Å; C134-V139 VanDerWaalsContact O-N 3.11Å; C134-L141 HydrophobicContact CB-CB 4.25Å; C134-Y158 HydrophobicContact CB-CD2 4.39Å; C134-Y158 HydrophobicContact CB-CE2 3.43Å; C134-Y158 VanDerWaalsContact CB-CE2 3.43Å; C134-Y158 VanDerWaalsContact CB-OH 3.29Å; C134-Y158 WeakPolarHBondContact CB-OH 3.25Å
135F98.3Very high97.3Very high53 Ų5327.6 Ų27.623%0.23218%0.18CC..Hα-helixtrans-61.7-42.7174.8172.4-99.1000111.9N131 A132 G133 K138 Y158 V238 C239N131-F135 WeakPolarHBondContact O-CB 3.5Å; N131-F135 PolarHBondContact O-N 3.35Å; A132-F135 PolarHBondContact O-N 3.5Å; G133-F135 PolarHBondContact O-N 2.86Å; F135-K138 WeakPolarHBondContact O-CD 3.22Å; F135-Y158 HydrophobicContact CB-CD1 3.82Å; F135-Y158 HydrophobicContact CB-CE1 3.75Å; F135-Y158 AromaticContact CD2-CD1 3.78Å; F135-Y158 HydrophobicContact CD2-CD1 3.78Å; F135-Y158 HydrophobicContact CD2-CE1 4.43Å; F135-Y158 HydrophobicContact CG-CD1 4.3Å; F135-V238 HydrophobicContact CB-CG1 3.9Å; F135-V238 HydrophobicContact CD1-CG1 3.56Å; F135-V238 HydrophobicContact CD2-CG1 4.32Å; F135-V238 HydrophobicContact CE1-CG1 4.15Å; F135-V238 WeakPolarHBondContact CE1-O 3.45Å; F135-V238 HydrophobicContact CG-CG1 3.65Å; F135-V238 WeakPolarHBondContact CZ-O 3.25Å; F135-C239 HydrophobicContact CD2-CB 4.13Å; F135-C239 HydrophobicContact CE2-CB 3.59Å; F135-C239 HydrophobicContact CZ-CB 4.03Å
136A97.7Very high97.4Very high82 Ų8224.8 Ų24.868%0.67816%0.156SC*.Hα-helixtrans-66.4-42.9179.200000111.9A132 G133 C134A132-A136 WeakPolarHBondContact O-CB 3.39Å; A132-A136 PolarHBondContact O-N 3.07Å; G133-A136 PolarHBondContact O-N 3.29Å; C134-A136 VanDerWaalsContact C-N 3.34Å; C134-A136 PolarHBondContact O-N 3.32Å
137A98.2Very high97.3Very high43 Ų4325.7 Ų25.736%0.35516%0.16SC..Hα-helixtrans-83.7-8.3-18000000114.2I111 G133 C134 V139I111-A137 HydrophobicContact CG2-CB 4.08Å; G133-A137 WeakPolarHBondContact O-CB 3.38Å; G133-A137 PolarHBondContact O-N 3.28Å; C134-A137 PolarHBondContact O-N 3.07Å; A137-V139 HydrophobicContact CB-CG2 3.84Å; A137-V139 PolarHBondContact O-N 3.39Å
138K98.1Very high97.1Very high103 Ų10332.1 Ų32.145%0.44818%0.184SC..THydrogen-bonded Turntrans55.631.6-171.3-57.5-62.1-177.6-1780113.8C134 F135 Y158C134-K138 WeakPolarHBondContact O-CA 3.47Å; C134-K138 PolarHBondContact O-N 3.19Å; F135-K138 WeakPolarHBondContact O-CD 3.22Å; K138-Y158 PolarHBondContact NZ-O 3.04Å
139V98.8Very high97.1Very high14 Ų1432.8 Ų32.89%0.08519%0.187CC..  trans-89.4123.8174.91750000108.8I111 H114 V117 C134 A137 Y158I111-V139 HydrophobicContact CG2-CB 3.95Å; I111-V139 HydrophobicContact CG2-CG1 4.31Å; I111-V139 HydrophobicContact CG2-CG2 4.07Å; H114-V139 WeakPolarHBondContact O-CG1 3.4Å; H114-V139 WeakPolarHBondContact O-CG2 3.48Å; V117-V139 HydrophobicContact CG2-CG1 3.85Å; C134-V139 WeakPolarHBondContact CB-O 3.38Å; C134-V139 PolarHBondContact O-N 2.93Å; C134-V139 VanDerWaalsContact O-N 3.11Å; A137-V139 HydrophobicContact CB-CG2 3.84Å; A137-V139 PolarHBondContact O-N 3.39Å; V139-Y158 VanDerWaalsContact O-CD2 3.27Å; V139-Y158 WeakPolarHBondContact O-CD2 3.39Å; V139-Y158 WeakPolarHBondContact O-CE2 3.46Å
140P98.8Very high97.1Very high30 Ų3036.2 Ų36.220%0.19520%0.202CC..  trans-56.4139.9178.8-26.534.3000113.6D115 L116 V117 F156 L203D115-P140 WeakPolarHBondContact O-CD 3.31Å; L116-P140 HydrophobicContact CD1-CB 4.48Å; L116-P140 HydrophobicContact CG-CB 4.48Å; V117-P140 PolarHBondContact N-O 2.95Å; P140-F156 CarbonylContact C-O 3.59Å; P140-F156 VanDerWaalsContact CA-O 3.28Å; P140-F156 WeakPolarHBondContact CA-O 3.17Å; P140-L203 HydrophobicContact CB-CD1 4.05Å
141L98.9Very high97Very high0 Ų036.2 Ų36.20%020%0.203CC..EExtended strand (participates in β ladder)trans-116.5121.1177.1179.765.9000110.4V117 D119 L130 N131 C134 F156 Y158V117-L141 HydrophobicContact CB-CD1 3.91Å; V117-L141 HydrophobicContact CG1-CD1 3.64Å; V117-L141 WeakPolarHBondContact O-CA 3.3Å; D119-L141 HydrophobicContact CB-CD1 3.82Å; D119-L141 HydrophobicContact CB-CG 4.47Å; L130-L141 HydrophobicContact CB-CD2 4.48Å; N131-L141 HydrophobicContact CB-CD2 4.3Å; C134-L141 HydrophobicContact CB-CB 4.25Å; L141-F156 HydrophobicContact CB-CB 4.29Å; L141-F156 HydrophobicContact CB-CD2 4.32Å; L141-F156 HydrophobicContact CD2-CD2 4.14Å; L141-F156 HydrophobicContact CG-CD2 4.31Å; L141-F156 PolarHBondContact N-O 2.86Å; L141-F156 PolarHBondContact O-N 3.35Å; L141-Y158 HydrophobicContact CB-CE2 3.87Å; L141-Y158 VanDerWaalsContact CB-OH 3.27Å; L141-Y158 WeakPolarHBondContact CB-OH 3.34Å; L141-Y158 WeakPolarHBondContact CD2-OH 3.36Å
142V98.9Very high96.9Very high0 Ų038.2 Ų38.20%021%0.212CC..EExtended strand (participates in β ladder)trans-100.4103171.4-176.50000108.6L116 V117 L118 D119 I153 V155 Q196 E199 L203L116-V142 HydrophobicContact CD1-CG2 4.17Å; L116-V142 HydrophobicContact CD2-CG2 4.06Å; L116-V142 HydrophobicContact CG-CG2 4.39Å; V117-V142 PolarHBondContact O-N 3.18Å; L118-V142 HydrophobicContact CD1-CB 3.93Å; L118-V142 HydrophobicContact CD1-CG2 4.31Å; L118-V142 HydrophobicContact CG-CB 4.27Å; D119-V142 PolarHBondContact N-O 2.82Å; V142-I153 HydrophobicContact CG1-CD1 4.18Å; V142-V155 HydrophobicContact CG1-CG2 4.38Å; V142-V155 HydrophobicContact CG2-CG2 4.32Å; V142-Q196 HydrophobicContact CG1-CB 3.95Å; V142-Q196 HydrophobicContact CG1-CG 4.03Å; V142-Q196 PolarHBondContact O-NE2 3.04Å; V142-Q196 VanDerWaalsContact O-NE2 3.17Å; V142-E199 HydrophobicContact CG1-CB 3.92Å; V142-E199 HydrophobicContact CG2-CB 4.3Å; V142-L203 HydrophobicContact CG2-CD1 3.9Å
143S98.5Very high96.9Very high6 Ų636.4 Ų36.44%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-102.5122.7-175.4-1760000110.9D119 R127 I153 T154D119-S143 PolarHBondContact OD2-OG 3.1Å; R127-S143 PolarHBondContact NH1-OG 3.17Å; R127-S143 VanDerWaalsContact NH1-OG 3.12Å; S143-I153 WeakPolarHBondContact O-CA 3.46Å; S143-T154 PolarHBondContact N-O 3.4Å; S143-T154 PolarHBondContact O-N 2.95Å
144G97.4Very high96.9Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-117146.6172.800000110.9L34 D119 R127 Q152L34-G144 WeakPolarHBondContact CD1-O 3.18Å; D119-G144 PolarHBondContact O-N 3.22Å; R127-G144 VanDerWaalsContact CZ-O 3.28Å; R127-G144 PolarHBondContact NH1-O 3.19Å; R127-G144 PolarHBondContact NH2-O 3.38Å; G144-Q152 CarbonylContact C-O 3.56Å; G144-Q152 WeakPolarHBondContact CA-O 3.42Å
145A94.9Very high96.9Very high15 Ų1536.1 Ų36.112%0.12419%0.192CC..EExtended strand (participates in β ladder)trans-142.3153.8169.400000110.2G151 Q152A145-G151 CarbonylContact O-C 3.51Å; A145-G151 VanDerWaalsContact O-CA 3.32Å; A145-G151 WeakPolarHBondContact O-CA 3.28Å; A145-Q152 HydrophobicContact CB-CG 3.68Å; A145-Q152 PolarHBondContact N-O 3.42Å; A145-Q152 PolarHBondContact O-N 3.41Å
146A93.6Very high96.9Very high7 Ų733.7 Ų33.76%0.05818%0.181CC..EExtended strand (participates in β ladder)trans-151.8131.1178.400000110.2E150 C179 V184 L188 I189 I192A146-E150 CarbonylContact C-O 3.59Å; A146-E150 WeakPolarHBondContact CA-O 3.47Å; A146-C179 PolarHBondContact O-SG 3.46Å; A146-V184 HydrophobicContact CB-CG2 4.44Å; A146-L188 HydrophobicContact CB-CD2 3.95Å; A146-L188 HydrophobicContact CB-CG 4Å; A146-I189 HydrophobicContact CB-CG1 3.99Å; A146-I192 HydrophobicContact CB-CG1 4.4Å
147I91Very high97Very high49 Ų4930.5 Ų30.525%0.25115%0.153SC..EExtended strand (participates in β ladder)trans-145.4139.9177.7-171.3161.4000109.4M149 E150 L177 A182I147-M149 PolarHBondContact O-N 2.98Å; I147-E150 PolarHBondContact N-O 3.42Å; I147-E150 PolarHBondContact O-N 3.03Å; I147-E150 VanDerWaalsContact O-O 3.09Å; I147-L177 HydrophobicContact CD1-CB 4.26Å; I147-L177 WeakPolarHBondContact CD1-O 3.28Å; I147-A182 HydrophobicContact CD1-CB 3.73Å; I147-A182 HydrophobicContact CG1-CB 3.74Å
148R92.4Very high97Very high145 Ų14528.8 Ų28.855%0.54714%0.138SC..BIsolated β-bridgetrans53.3-105.3-175.1-60.8170.4-178156.92.6111.6A182 G183 M185 L188R148-A182 HydrophobicContact CG-CB 3.97Å; R148-G183 WeakPolarHBondContact CA-O 3.15Å; R148-G183 PolarHBondContact N-O 2.87Å; R148-M185 PolarHBondContact O-N 2.89Å; R148-M185 VanDerWaalsContact O-N 3.16Å; R148-L188 WeakPolarHBondContact O-CD2 3.37Å
149M95.9Very high96.9Very high50 Ų5029.8 Ų29.825%0.24614%0.144CC..THydrogen-bonded Turntrans-12315.2-178.9-68.8-68.8-73.300111.8I147 M185 A220 M221I147-M149 PolarHBondContact O-N 2.98Å; M149-M185 HydrophobicContact SD-CB 3.48Å; M149-M185 WeakPolarHBondContact SD-CB 3.26Å; M149-M185 HydrophobicContact SD-CE 4.33Å; M149-M185 HydrophobicContact SD-CG 3.75Å; M149-A220 HydrophobicContact CB-CB 4.37Å; M149-A220 HydrophobicContact CE-CB 3.73Å; M149-A220 VanDerWaalsContact O-CB 3.27Å; M149-A220 WeakPolarHBondContact O-CB 3.12Å; M149-A220 PolarHBondContact O-N 2.91Å; M149-A220 HydrophobicContact SD-CB 4.42Å; M149-M221 HydrophobicContact CB-CG 3.66Å; M149-M221 HydrophobicContact CB-SD 4.08Å; M149-M221 HydrophobicContact CE-CG 4.3Å; M149-M221 HydrophobicContact CE-SD 3.73Å; M149-M221 HydrophobicContact CG-CG 3.96Å; M149-M221 HydrophobicContact CG-SD 3.66Å; M149-M221 HydrophobicContact SD-SD 4.46Å
150E96Very high96.7Very high107 Ų10736.6 Ų36.650%0.518%0.18SC..EExtended strand (participates in β ladder)trans-121.7129.8-176.3-172.7177.4157.800110.2A146 I147 M217 Y218A146-E150 CarbonylContact C-O 3.59Å; A146-E150 WeakPolarHBondContact CA-O 3.47Å; I147-E150 PolarHBondContact N-O 3.42Å; I147-E150 PolarHBondContact O-N 3.03Å; I147-E150 VanDerWaalsContact O-O 3.09Å; E150-M217 HydrophobicContact CG-CE 3.62Å; E150-M217 WeakPolarHBondContact OE1-CE 3.36Å; E150-Y218 WeakPolarHBondContact CA-O 3.36Å
151G96.3Very high96.4Very high1 Ų137.4 Ų37.41%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-124.6152.9176.900000111.4A145 M217 Y218A145-G151 CarbonylContact O-C 3.51Å; A145-G151 VanDerWaalsContact O-CA 3.32Å; A145-G151 WeakPolarHBondContact O-CA 3.28Å; G151-M217 CarbonylContact O-C 3.55Å; G151-M217 WeakPolarHBondContact O-CA 3.49Å; G151-Y218 PolarHBondContact N-O 3.36Å; G151-Y218 PolarHBondContact O-N 2.88Å
152Q96.4Very high96.3Very high41 Ų4139.4 Ų39.419%0.19220%0.203CC..EExtended strand (participates in β ladder)trans-138.6148.1176.164.4177.8-200111.4G144 A145 I192 I215 V216 M217G144-Q152 CarbonylContact C-O 3.56Å; G144-Q152 WeakPolarHBondContact CA-O 3.42Å; A145-Q152 HydrophobicContact CB-CG 3.68Å; A145-Q152 PolarHBondContact N-O 3.42Å; A145-Q152 PolarHBondContact O-N 3.41Å; Q152-I192 WeakPolarHBondContact O-CG2 3.44Å; Q152-I215 HydrophobicContact CB-CG2 4.22Å; Q152-V216 CarbonylContact C-O 3.59Å; Q152-V216 VanDerWaalsContact CA-O 3.31Å; Q152-V216 WeakPolarHBondContact CA-O 3.48Å; Q152-M217 HydrophobicContact CB-CE 4.03Å; Q152-M217 HydrophobicContact CB-SD 3.43Å; Q152-M217 WeakPolarHBondContact CB-SD 3.38Å
153I98.1Very high96.3Very high6 Ų639.8 Ų39.83%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-137.9141.7169.5-175.3172.1000110.5V142 S143 L195 Q196 E199 V216V142-I153 HydrophobicContact CG1-CD1 4.18Å; S143-I153 WeakPolarHBondContact O-CA 3.46Å; I153-L195 VanDerWaalsContact CD1-C 3.42Å; I153-L195 HydrophobicContact CD1-CB 3.69Å; I153-L195 HydrophobicContact CG2-CB 4.48Å; I153-L195 HydrophobicContact CG2-CD1 4.28Å; I153-Q196 HydrophobicContact CD1-CB 4.45Å; I153-Q196 HydrophobicContact CD1-CG 3.97Å; I153-Q196 HydrophobicContact CG1-CG 4.46Å; I153-E199 HydrophobicContact CD1-CB 4.47Å; I153-E199 HydrophobicContact CD1-CG 3.8Å; I153-V216 HydrophobicContact CG2-CB 3.75Å; I153-V216 HydrophobicContact CG2-CG1 4.37Å; I153-V216 HydrophobicContact CG2-CG2 4.44Å; I153-V216 PolarHBondContact N-O 3.43Å; I153-V216 PolarHBondContact O-N 2.68Å
154T98.3Very high96.3Very high5 Ų539.5 Ų39.53%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-145.1143.6171.3-61.10000109.5S143 F156 K214 I215 L230S143-T154 PolarHBondContact N-O 3.4Å; S143-T154 PolarHBondContact O-N 2.95Å; T154-F156 HydrophobicContact CG2-CD1 4.09Å; T154-F156 HydrophobicContact CG2-CD2 4.47Å; T154-F156 HydrophobicContact CG2-CE1 3.5Å; T154-F156 HydrophobicContact CG2-CE2 3.93Å; T154-F156 HydrophobicContact CG2-CZ 3.4Å; T154-F156 VanDerWaalsContact CG2-CZ 3.4Å; T154-K214 WeakPolarHBondContact CG2-O 3.42Å; T154-K214 PolarHBondContact OG1-O 3.2Å; T154-I215 WeakPolarHBondContact OG1-CA 3.39Å; T154-L230 HydrophobicContact CG2-CD2 4.26Å
155V98.8Very high96.3Very high1 Ų140.1 Ų40.11%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-106.7130.3173.1178.90000109.3V142 T157 E199 L203 P210 A211 S212V142-V155 HydrophobicContact CG1-CG2 4.38Å; V142-V155 HydrophobicContact CG2-CG2 4.32Å; V155-T157 HydrophobicContact CG1-CG2 3.84Å; V155-E199 HydrophobicContact CG2-CB 3.72Å; V155-E199 HydrophobicContact CG2-CG 3.75Å; V155-L203 HydrophobicContact CG1-CD1 3.62Å; V155-L203 HydrophobicContact CG1-CD2 4.48Å; V155-L203 HydrophobicContact CG1-CG 4.44Å; V155-P210 HydrophobicContact CG1-CB 4.1Å; V155-A211 HydrophobicContact CG2-CB 4.06Å; V155-A211 PolarHBondContact N-O 3.14Å; V155-S212 VanDerWaalsContact O-CA 3.22Å; V155-S212 WeakPolarHBondContact O-CA 3.37Å; V155-S212 WeakPolarHBondContact O-CB 3.28Å
156F98.6Very high96.3Very high2 Ų242.9 Ų42.91%0.00921%0.213CC..EExtended strand (participates in β ladder)trans-111.9108.6174.4-54.6-74.3000108.5P140 L141 T154 Y158 P163 C164 Y165 L230P140-F156 CarbonylContact C-O 3.59Å; P140-F156 VanDerWaalsContact CA-O 3.28Å; P140-F156 WeakPolarHBondContact CA-O 3.17Å; L141-F156 HydrophobicContact CB-CB 4.29Å; L141-F156 HydrophobicContact CB-CD2 4.32Å; L141-F156 HydrophobicContact CD2-CD2 4.14Å; L141-F156 HydrophobicContact CG-CD2 4.31Å; L141-F156 PolarHBondContact N-O 2.86Å; L141-F156 PolarHBondContact O-N 3.35Å; T154-F156 HydrophobicContact CG2-CD1 4.09Å; T154-F156 HydrophobicContact CG2-CD2 4.47Å; T154-F156 HydrophobicContact CG2-CE1 3.5Å; T154-F156 HydrophobicContact CG2-CE2 3.93Å; T154-F156 HydrophobicContact CG2-CZ 3.4Å; T154-F156 VanDerWaalsContact CG2-CZ 3.4Å; F156-Y158 HydrophobicContact CB-CD1 4.42Å; F156-Y158 HydrophobicContact CB-CE1 3.94Å; F156-Y158 HydrophobicContact CB-CE2 3.96Å; F156-Y158 WeakPolarHBondContact O-CD2 3.48Å; F156-Y158 WeakPolarHBondContact O-CE2 3.37Å; F156-P163 WeakPolarHBondContact CD1-O 3.3Å; F156-C164 VanDerWaalsContact CE1-C 3.41Å; F156-Y165 AromaticContact CE2-CD2 3.96Å; F156-Y165 HydrophobicContact CE2-CD2 3.96Å; F156-Y165 HydrophobicContact CE2-CG 4.37Å; F156-Y165 VanDerWaalsContact CZ-CA 3.49Å; F156-Y165 AromaticContact CZ-CD2 3.94Å; F156-Y165 HydrophobicContact CZ-CD2 3.94Å; F156-Y165 HydrophobicContact CZ-CG 4.39Å; F156-L230 HydrophobicContact CE1-CD2 3.91Å
157T98.5Very high96.5Very high15 Ų1542.6 Ų42.69%0.09221%0.211CC..  trans-96.2-3178.370.90000112.9V155 Q159 E162 L203 P210V155-T157 HydrophobicContact CG1-CG2 3.84Å; T157-Q159 PolarHBondContact O-N 3.25Å; T157-Q159 VanDerWaalsContact O-N 3.1Å; T157-Q159 PolarHBondContact O-NE2 3.19Å; T157-Q159 WeakPolarHBondContact OG1-CG 3.04Å; T157-E162 PolarHBondContact N-OE2 3.41Å; T157-E162 VanDerWaalsContact OG1-CD 3.23Å; T157-E162 PolarHBondContact OG1-OE1 3.21Å; T157-E162 PolarHBondContact OG1-OE2 2.79Å; T157-L203 HydrophobicContact CG2-CD2 3.9Å; T157-P210 HydrophobicContact CG2-CG 4.45Å
158Y97.9Very high96.6Very high8 Ų840.5 Ų40.53%0.03120%0.2CC..  trans56.224.8175-54.5-71.5000115.1N131 C134 F135 K138 V139 L141 F156 C164N131-Y158 PolarHBondContact OD1-OH 3.36Å; C134-Y158 HydrophobicContact CB-CD2 4.39Å; C134-Y158 HydrophobicContact CB-CE2 3.43Å; C134-Y158 VanDerWaalsContact CB-CE2 3.43Å; C134-Y158 VanDerWaalsContact CB-OH 3.29Å; C134-Y158 WeakPolarHBondContact CB-OH 3.25Å; F135-Y158 HydrophobicContact CB-CD1 3.82Å; F135-Y158 HydrophobicContact CB-CE1 3.75Å; F135-Y158 AromaticContact CD2-CD1 3.78Å; F135-Y158 HydrophobicContact CD2-CD1 3.78Å; F135-Y158 HydrophobicContact CD2-CE1 4.43Å; F135-Y158 HydrophobicContact CG-CD1 4.3Å; K138-Y158 PolarHBondContact NZ-O 3.04Å; V139-Y158 VanDerWaalsContact O-CD2 3.27Å; V139-Y158 WeakPolarHBondContact O-CD2 3.39Å; V139-Y158 WeakPolarHBondContact O-CE2 3.46Å; L141-Y158 HydrophobicContact CB-CE2 3.87Å; L141-Y158 VanDerWaalsContact CB-OH 3.27Å; L141-Y158 WeakPolarHBondContact CB-OH 3.34Å; L141-Y158 WeakPolarHBondContact CD2-OH 3.36Å; F156-Y158 HydrophobicContact CB-CD1 4.42Å; F156-Y158 HydrophobicContact CB-CE1 3.94Å; F156-Y158 HydrophobicContact CB-CE2 3.96Å; F156-Y158 WeakPolarHBondContact O-CD2 3.48Å; F156-Y158 WeakPolarHBondContact O-CE2 3.37Å; Y158-C164 HydrophobicContact CD1-CB 4.36Å; Y158-C164 HydrophobicContact CE1-CB 4.03Å
159Q96.4Very high96.5Very high123 Ų12333.9 Ų33.958%0.57518%0.176SC*.  trans-70.3160.5171.9-58-59.2-57.300111T157 G161 E162T157-Q159 PolarHBondContact O-N 3.25Å; T157-Q159 VanDerWaalsContact O-N 3.1Å; T157-Q159 PolarHBondContact O-NE2 3.19Å; T157-Q159 WeakPolarHBondContact OG1-CG 3.04Å; Q159-G161 PolarHBondContact O-N 3.39Å; Q159-E162 HydrophobicContact CB-CG 4.14Å; Q159-E162 WeakPolarHBondContact O-CB 3.39Å; Q159-E162 PolarHBondContact O-N 3.46Å; Q159-E162 VanDerWaalsContact O-N 3.11Å
160D94.2Very high96.2Very high158 Ų15834.8 Ų34.885%0.84518%0.177SC*.THydrogen-bonded Turntrans-59.1129.1-179.1-68.8-29.3000111.9E162D160-E162 VanDerWaalsContact C-N 3.29Å; D160-E162 PolarHBondContact O-N 3.48Å
161G94.3Very high95.7Very high47 Ų4735.4 Ų35.449%0.48518%0.183SC..THydrogen-bonded Turntrans83.9-9.5-179.500000115.2Q159 R232Q159-G161 PolarHBondContact O-N 3.39Å; G161-R232 WeakPolarHBondContact O-CB 3.33Å
162E96.8Very high94.9Very high42 Ų4240.9 Ų40.920%0.19621%0.207CC..  trans-74.9149.6175.2-70.4-162.315500112.5T157 Q159 D160 S212T157-E162 PolarHBondContact N-OE2 3.41Å; T157-E162 VanDerWaalsContact OG1-CD 3.23Å; T157-E162 PolarHBondContact OG1-OE1 3.21Å; T157-E162 PolarHBondContact OG1-OE2 2.79Å; Q159-E162 HydrophobicContact CB-CG 4.14Å; Q159-E162 WeakPolarHBondContact O-CB 3.39Å; Q159-E162 PolarHBondContact O-N 3.46Å; Q159-E162 VanDerWaalsContact O-N 3.11Å; D160-E162 VanDerWaalsContact C-N 3.29Å; D160-E162 PolarHBondContact O-N 3.48Å; E162-S212 WeakPolarHBondContact OE1-CB 3.19Å; E162-S212 PolarHBondContact OE1-OG 2.94Å
163P97.6Very high93.6Very high7 Ų741.9 Ų41.95%0.04523%0.228CC..  trans-69.7151.3169.531.7-36.4000111.2F156 C167 L230F156-P163 WeakPolarHBondContact CD1-O 3.3Å; P163-C167 HydrophobicContact CB-CB 3.93Å; P163-L230 HydrophobicContact CB-CD2 3.86Å; P163-L230 HydrophobicContact CB-CG 3.72Å; P163-L230 HydrophobicContact CG-CB 4.04Å; P163-L230 HydrophobicContact CG-CD2 3.74Å; P163-L230 HydrophobicContact CG-CG 3.65Å
164C98.1Very high91.7Very high1 Ų151.3 Ų51.31%0.00727%0.272CS..  trans-101.9174.7162.7760000110.4N131 F156 Y158 R166 C167 C236 C239N131-C164 VanDerWaalsContact OD1-CB 3.29Å; N131-C164 WeakPolarHBondContact OD1-CB 3.32Å; F156-C164 VanDerWaalsContact CE1-C 3.41Å; Y158-C164 HydrophobicContact CD1-CB 4.36Å; Y158-C164 HydrophobicContact CE1-CB 4.03Å; C164-R166 PolarHBondContact O-N 2.93Å; C164-C167 VanDerWaalsContact O-CB 3.27Å; C164-C167 WeakPolarHBondContact O-CB 3.3Å; C164-C167 PolarHBondContact O-N 3.45Å; C164-C236 VanDerWaalsContact SG-SG 3.63Å; C164-C239 HydrophobicContact CB-CB 4.16Å; C164-C239 PolarHBondContact SG-SG 3.11Å
165Y97.4Very high89.6Confident12 Ų1258.7 Ų58.75%0.04731%0.311CS..Hα-helixtrans-59-35.7177.7-178.4-105.3000112.3R127 N128 N131 F156 C167 L168 S169R127-Y165 HydrophobicContact CB-CD1 4.06Å; R127-Y165 HydrophobicContact CB-CE1 3.42Å; R127-Y165 VanDerWaalsContact CB-CE1 3.42Å; R127-Y165 VanDerWaalsContact CD-OH 3.23Å; R127-Y165 WeakPolarHBondContact CD-OH 3.16Å; N128-Y165 WeakPolarHBondContact OD1-CD1 3.48Å; N131-Y165 HydrophobicContact CB-CD1 4.41Å; N131-Y165 HydrophobicContact CB-CG 4.45Å; N131-Y165 VanDerWaalsContact OD1-CB 3.32Å; N131-Y165 WeakPolarHBondContact OD1-CB 3.16Å; N131-Y165 PolarHBondContact OD1-N 2.84Å; F156-Y165 AromaticContact CE2-CD2 3.96Å; F156-Y165 HydrophobicContact CE2-CD2 3.96Å; F156-Y165 HydrophobicContact CE2-CG 4.37Å; F156-Y165 VanDerWaalsContact CZ-CA 3.49Å; F156-Y165 AromaticContact CZ-CD2 3.94Å; F156-Y165 HydrophobicContact CZ-CD2 3.94Å; F156-Y165 HydrophobicContact CZ-CG 4.39Å; Y165-C167 PolarHBondContact O-N 2.74Å; Y165-L168 CarbonylContact O-C 3.57Å; Y165-L168 WeakPolarHBondContact O-CA 3.48Å; Y165-L168 WeakPolarHBondContact O-CB 3.47Å; Y165-L168 PolarHBondContact O-N 3.13Å; Y165-S169 VanDerWaalsContact CE1-CB 3.49Å; Y165-S169 PolarHBondContact O-N 3.17Å
166R96.2Very high87.8Confident73 Ų7361.4 Ų61.428%0.27533%0.334SS..Hα-helixtrans-61.3-26.2175.8-174.558.7179.7-177.8-0.5112.8C164 L168 S169 R170 E237 V238C164-R166 PolarHBondContact O-N 2.93Å; R166-L168 PolarHBondContact O-N 2.75Å; R166-S169 WeakPolarHBondContact CA-OG 3.2Å; R166-S169 WeakPolarHBondContact CD-OG 3.4Å; R166-R170 WeakPolarHBondContact O-CG 3.21Å; R166-R170 PolarHBondContact O-N 3.28Å; R166-E237 VanDerWaalsContact CG-OE2 3.31Å; R166-E237 WeakPolarHBondContact CG-OE2 3.43Å; R166-E237 IonicContact CZ-OE1 2.84Å; R166-E237 IonicContact NE-OE1 3.58Å; R166-E237 PolarHBondContact NE-OE1 3.14Å; R166-E237 IonicContact NE-OE2 3.88Å; R166-E237 PolarHBondContact NE-OE2 3.15Å; R166-E237 VanDerWaalsContact NE-OE2 3.09Å; R166-E237 IonicContact NH2-OE1 3.09Å; R166-E237 PolarHBondContact NH2-OE1 3.44Å; R166-V238 HydrophobicContact CB-CB 4.29Å; R166-V238 HydrophobicContact CB-CG2 3.86Å; R166-V238 HydrophobicContact CG-CG2 4.09Å
167C96.4Very high85.7Confident1 Ų165.7 Ų65.71%0.00736%0.356CS..Hα-helixtrans-65.5-30.1172.4-78.50000113.2P163 C164 Y165 R170 N233P163-C167 HydrophobicContact CB-CB 3.93Å; C164-C167 VanDerWaalsContact O-CB 3.27Å; C164-C167 WeakPolarHBondContact O-CB 3.3Å; C164-C167 PolarHBondContact O-N 3.45Å; Y165-C167 PolarHBondContact O-N 2.74Å; C167-R170 VanDerWaalsContact C-NH2 3.34Å; C167-R170 PolarHBondContact O-NH2 3.49Å; C167-N233 PolarHBondContact SG-N 3.33Å; C167-N233 VanDerWaalsContact SG-N 3.36Å
168L93.2Very high84Confident5 Ų567.2 Ų67.23%0.02637%0.366CS..Hα-helixtrans-85.9-51.9174.7173.454.3000111.3Y165 R166 R170 L171 F172 I215 L230Y165-L168 CarbonylContact O-C 3.57Å; Y165-L168 WeakPolarHBondContact O-CA 3.48Å; Y165-L168 WeakPolarHBondContact O-CB 3.47Å; Y165-L168 PolarHBondContact O-N 3.13Å; R166-L168 PolarHBondContact O-N 2.75Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.03Å; L168-R170 VanDerWaalsContact O-N 3.16Å; L168-L171 HydrophobicContact CD1-CD1 4.31Å; L168-L171 VanDerWaalsContact O-CB 3.25Å; L168-L171 WeakPolarHBondContact O-CB 3.26Å; L168-L171 WeakPolarHBondContact O-CG 3.3Å; L168-L171 PolarHBondContact O-N 2.9Å; L168-F172 HydrophobicContact CD1-CD2 4.49Å; L168-F172 HydrophobicContact CD1-CE2 3.46Å; L168-F172 VanDerWaalsContact CD1-CE2 3.46Å; L168-F172 HydrophobicContact CD1-CZ 3.88Å; L168-F172 HydrophobicContact CG-CE2 3.82Å; L168-I215 HydrophobicContact CD1-CD1 3.46Å; L168-I215 VanDerWaalsContact CD1-CD1 3.46Å; L168-I215 HydrophobicContact CD2-CD1 3.81Å; L168-I215 HydrophobicContact CD2-CG1 4.12Å; L168-I215 HydrophobicContact CG-CD1 4.23Å; L168-L230 HydrophobicContact CB-CD1 4.06Å; L168-L230 HydrophobicContact CB-CD2 4.15Å; L168-L230 HydrophobicContact CD1-CD1 4.39Å
169S91.7Very high82.1Confident7 Ų768 Ų685%0.04937%0.372CS..Hα-helixtrans-61.5-32.4-167.7700000113.5N128 Y165 R166 L171 F172N128-S169 PolarHBondContact OD1-OG 3.25Å; Y165-S169 VanDerWaalsContact CE1-CB 3.49Å; Y165-S169 PolarHBondContact O-N 3.17Å; R166-S169 WeakPolarHBondContact CA-OG 3.2Å; R166-S169 WeakPolarHBondContact CD-OG 3.4Å; S169-L171 PolarHBondContact O-N 3.46Å; S169-F172 PolarHBondContact O-N 2.82Å; S169-F172 VanDerWaalsContact O-N 3.09Å
170R89.4Confident80.4Confident68 Ų6867.3 Ų67.326%0.25738%0.376SS..THydrogen-bonded Turntrans-65.2-15.3175.170.8165.3175.8-103.1-32.7114.9R166 C167 L168 N233R166-R170 WeakPolarHBondContact O-CG 3.21Å; R166-R170 PolarHBondContact O-N 3.28Å; C167-R170 VanDerWaalsContact C-NH2 3.34Å; C167-R170 PolarHBondContact O-NH2 3.49Å; L168-R170 VanDerWaalsContact C-N 3.26Å; L168-R170 PolarHBondContact O-N 3.03Å; L168-R170 VanDerWaalsContact O-N 3.16Å; R170-N233 VanDerWaalsContact CZ-CG 3.44Å; R170-N233 PolarHBondContact NE-ND2 3.03Å; R170-N233 VanDerWaalsContact NE-ND2 3.16Å; R170-N233 PolarHBondContact NH1-ND2 3.43Å
171L85.5Confident79.2Confident120 Ų12066 Ų6663%0.62837%0.365SS*.THydrogen-bonded Turntrans-75.8-16.9176.6-59.9177.3000110.9L168 S169L168-L171 HydrophobicContact CD1-CD1 4.31Å; L168-L171 VanDerWaalsContact O-CB 3.25Å; L168-L171 WeakPolarHBondContact O-CB 3.26Å; L168-L171 WeakPolarHBondContact O-CG 3.3Å; L168-L171 PolarHBondContact O-N 2.9Å; S169-L171 PolarHBondContact O-N 3.46Å
172F80.1Confident78.5Confident116 Ų11665.2 Ų65.251%0.50935%0.354SS..SBendtrans-104.3142177.4-51.3-67.9000109.7L168 S169L168-F172 HydrophobicContact CD1-CD2 4.49Å; L168-F172 HydrophobicContact CD1-CE2 3.46Å; L168-F172 VanDerWaalsContact CD1-CE2 3.46Å; L168-F172 HydrophobicContact CD1-CZ 3.88Å; L168-F172 HydrophobicContact CG-CE2 3.82Å; S169-F172 PolarHBondContact O-N 2.82Å; S169-F172 VanDerWaalsContact O-N 3.09Å
173G67.9Low78.1Confident62 Ų6264.9 Ų64.964%0.63936%0.362SS*.  trans-72.7164.9172.100000111.9N175G173-N175 PolarHBondContact O-N 3.21Å; G173-N175 VanDerWaalsContact O-N 3.11Å
174E57.8Low77.9Confident204 Ų20465.4 Ų65.495%0.95337%0.365SS*.THydrogen-bonded Turntrans-60.7-21.3-179.1-66.7-178.3161.100113.7A176E174-A176 PolarHBondContact O-N 2.65Å; E174-A176 VanDerWaalsContact O-N 3.11Å
175N54.9Low77.8Confident160 Ų16070.1 Ų70.186%0.85639%0.388SS*.THydrogen-bonded Turntrans-83.832.4-176.7-67.4-18.6000114.6G173 L177G173-N175 PolarHBondContact O-N 3.21Å; G173-N175 VanDerWaalsContact O-N 3.11Å; N175-L177 PolarHBondContact O-N 3.48Å
176A60.4Low77.7Confident58 Ų5870.7 Ų70.748%0.47940%0.395SS..  trans-68.6115.7174.200000109.9E174E174-A176 PolarHBondContact O-N 2.65Å; E174-A176 VanDerWaalsContact O-N 3.11Å
177L54.3Low77.8Confident92 Ų9271.5 Ų71.548%0.48241%0.41SS..  trans-58.6142.9177.2-73.4164.8000111I147 N175 E181I147-L177 HydrophobicContact CD1-CB 4.26Å; I147-L177 WeakPolarHBondContact CD1-O 3.28Å; N175-L177 PolarHBondContact O-N 3.48Å; L177-E181 HydrophobicContact CD2-CB 4.14Å
178T62.6Low77.9Confident48 Ų4871.6 Ų71.629%0.29441%0.41SS..  trans-83.2162.5174.864.30000111.9V180 E181 A182T178-V180 PolarHBondContact O-N 2.87Å; T178-E181 PolarHBondContact N-OE2 2.9Å; T178-E181 PolarHBondContact O-N 3.5Å; T178-E181 VanDerWaalsContact O-N 3.17Å; T178-E181 WeakPolarHBondContact OG1-CG 3.18Å; T178-E181 PolarHBondContact OG1-OE2 2.91Å; T178-E181 VanDerWaalsContact OG1-OE2 3.04Å; T178-A182 PolarHBondContact O-N 3.3Å; T178-A182 VanDerWaalsContact O-N 3.1Å
179C58.5Low78Confident24 Ų2471.7 Ų71.716%0.16241%0.411CS..Hα-helixtrans-56.2-33.7174.1-57.80000112.8A146 G183 V184A146-C179 PolarHBondContact O-SG 3.46Å; C179-G183 CarbonylContact O-C 3.58Å; C179-G183 VanDerWaalsContact O-CA 3.3Å; C179-G183 WeakPolarHBondContact O-CA 3.31Å; C179-G183 PolarHBondContact O-N 3.35Å; C179-V184 HydrophobicContact CB-CG1 4.41Å
180V61.1Low78.3Confident109 Ų10972.6 Ų72.666%0.66142%0.421SS*.Hα-helixtrans-68.6-39-179178.30000110.6T178T178-V180 PolarHBondContact O-N 2.87Å
181E68.9Low78.7Confident131 Ų13171.7 Ų71.761%0.61242%0.423SS*.Hα-helixtrans-78.1-35.9-178.4-66.4166.5142.200112.6L177 T178L177-E181 HydrophobicContact CD2-CB 4.14Å; T178-E181 PolarHBondContact N-OE2 2.9Å; T178-E181 PolarHBondContact O-N 3.5Å; T178-E181 VanDerWaalsContact O-N 3.17Å; T178-E181 WeakPolarHBondContact OG1-CG 3.18Å; T178-E181 PolarHBondContact OG1-OE2 2.91Å; T178-E181 VanDerWaalsContact OG1-OE2 3.04Å
182A79.8Confident79.4Confident29 Ų2966 Ų6624%0.2439%0.393CS..Hα-helixtrans-96.6-14.7-174.500000114.4I147 R148 T178I147-A182 HydrophobicContact CD1-CB 3.73Å; I147-A182 HydrophobicContact CG1-CB 3.74Å; R148-A182 HydrophobicContact CG-CB 3.97Å; T178-A182 PolarHBondContact O-N 3.3Å; T178-A182 VanDerWaalsContact O-N 3.1Å
183G87.8Confident80.2Confident36 Ų3660.5 Ų60.537%0.37137%0.369SS..  trans75.6163.2-167.900000113R148 C179R148-G183 WeakPolarHBondContact CA-O 3.15Å; R148-G183 PolarHBondContact N-O 2.87Å; C179-G183 CarbonylContact O-C 3.58Å; C179-G183 VanDerWaalsContact O-CA 3.3Å; C179-G183 WeakPolarHBondContact O-CA 3.31Å; C179-G183 PolarHBondContact O-N 3.35Å
184V93.4Very high81.7Confident17 Ų1759.4 Ų59.410%0.10335%0.351CS..BIsolated β-bridgetrans-156.1133.8179.364.10000111.2Q64 A146 C179 L188 I189Q64-V184 PolarHBondContact NE2-O 3.45Å; A146-V184 HydrophobicContact CB-CG2 4.44Å; C179-V184 HydrophobicContact CB-CG1 4.41Å; V184-L188 HydrophobicContact CG2-CD2 4.1Å; V184-I189 HydrophobicContact CB-CD1 4.21Å; V184-I189 HydrophobicContact CG1-CD1 3.61Å; V184-I189 HydrophobicContact CG2-CD1 3.56Å; V184-I189 HydrophobicContact CG2-CG1 3.68Å
185M95.9Very high83.7Confident101 Ų10152.1 Ų52.150%0.49832%0.319SS..  trans-76.3125.5-179.1-175.253.170.100110.9R148 M149 L188R148-M185 PolarHBondContact O-N 2.89Å; R148-M185 VanDerWaalsContact O-N 3.16Å; M149-M185 HydrophobicContact SD-CB 3.48Å; M149-M185 WeakPolarHBondContact SD-CB 3.26Å; M149-M185 HydrophobicContact SD-CE 4.33Å; M149-M185 HydrophobicContact SD-CG 3.75Å; M185-L188 HydrophobicContact CB-CB 4.43Å; M185-L188 VanDerWaalsContact O-CB 3.22Å; M185-L188 WeakPolarHBondContact O-CB 3.32Å; M185-L188 PolarHBondContact O-N 3.37Å
186A96.9Very high85.8Confident24 Ų2444.5 Ų44.520%0.19828%0.278CS..Hα-helixtrans-50.4-52.2-172.400000115.3Q64 R65 L188 I189 G190Q64-A186 WeakPolarHBondContact O-CB 3.5Å; R65-A186 HydrophobicContact CB-CB 4.1Å; A186-L188 PolarHBondContact O-N 3.07Å; A186-I189 PolarHBondContact O-N 2.81Å; A186-G190 PolarHBondContact O-N 3.03Å
187P98Very high87.6Confident89 Ų8941.8 Ų41.858%0.57826%0.256SS*.Hα-helixtrans-59.2-29.6179.3-27.934000114.9I189 G190 V191P187-I189 VanDerWaalsContact C-N 3.25Å; P187-I189 PolarHBondContact O-N 3.25Å; P187-G190 WeakPolarHBondContact O-CA 3.48Å; P187-G190 PolarHBondContact O-N 2.97Å; P187-G190 VanDerWaalsContact O-N 3.13Å; P187-V191 PolarHBondContact O-N 2.78Å
188L97.5Very high89.7Confident3 Ų342.2 Ų42.22%0.01626%0.256CS..Hα-helixtrans-57.8-44.2179.8174.665.9000110.7A146 R148 V184 M185 A186 G190 V191 I192 Y218 A220A146-L188 HydrophobicContact CB-CD2 3.95Å; A146-L188 HydrophobicContact CB-CG 4Å; R148-L188 WeakPolarHBondContact O-CD2 3.37Å; V184-L188 HydrophobicContact CG2-CD2 4.1Å; M185-L188 HydrophobicContact CB-CB 4.43Å; M185-L188 VanDerWaalsContact O-CB 3.22Å; M185-L188 WeakPolarHBondContact O-CB 3.32Å; M185-L188 PolarHBondContact O-N 3.37Å; A186-L188 PolarHBondContact O-N 3.07Å; L188-G190 VanDerWaalsContact C-N 3.32Å; L188-V191 WeakPolarHBondContact O-CB 3.45Å; L188-V191 PolarHBondContact O-N 2.87Å; L188-I192 PolarHBondContact O-N 2.85Å; L188-I192 VanDerWaalsContact O-N 3.09Å; L188-Y218 HydrophobicContact CD1-CD1 3.54Å; L188-Y218 HydrophobicContact CD1-CE1 3.76Å; L188-A220 HydrophobicContact CD1-CB 4.15Å
189I96Very high91.4Very high8 Ų840.8 Ų40.84%0.04125%0.246CC..Hα-helixtrans-70.3-35.4-179.1-61.9171.9000110.9G33 L34 R65 A146 V184 A186 P187 V191 I192 G193G33-I189 WeakPolarHBondContact O-CG2 3.21Å; L34-I189 HydrophobicContact CB-CG2 4.26Å; L34-I189 HydrophobicContact CD2-CG2 3.78Å; L34-I189 HydrophobicContact CG-CG2 3.81Å; R65-I189 HydrophobicContact CB-CD1 4.14Å; R65-I189 HydrophobicContact CG-CD1 4.23Å; A146-I189 HydrophobicContact CB-CG1 3.99Å; V184-I189 HydrophobicContact CB-CD1 4.21Å; V184-I189 HydrophobicContact CG1-CD1 3.61Å; V184-I189 HydrophobicContact CG2-CD1 3.56Å; V184-I189 HydrophobicContact CG2-CG1 3.68Å; A186-I189 PolarHBondContact O-N 2.81Å; P187-I189 VanDerWaalsContact C-N 3.25Å; P187-I189 PolarHBondContact O-N 3.25Å; I189-V191 VanDerWaalsContact C-N 3.31Å; I189-V191 PolarHBondContact O-N 3.08Å; I189-I192 PolarHBondContact O-N 2.85Å; I189-G193 PolarHBondContact O-N 2.96Å
190G97.7Very high93.4Very high26 Ų2639.6 Ų39.627%0.26824%0.239SC..Hα-helixtrans-56-45.517000000112.1A186 P187 L188 S194A186-G190 PolarHBondContact O-N 3.03Å; P187-G190 WeakPolarHBondContact O-CA 3.48Å; P187-G190 PolarHBondContact O-N 2.97Å; P187-G190 VanDerWaalsContact O-N 3.13Å; L188-G190 VanDerWaalsContact C-N 3.32Å; G190-S194 VanDerWaalsContact O-CB 3.28Å; G190-S194 WeakPolarHBondContact O-CB 3.4Å; G190-S194 PolarHBondContact O-N 2.92Å; G190-S194 PolarHBondContact O-OG 2.98Å
191V98.6Very high95.2Very high48 Ų4835.5 Ų35.529%0.29121%0.213SC..Hα-helixtrans-62.1-53.2177.91740000111P187 L188 I189 S194 L195 Y218 F225P187-V191 PolarHBondContact O-N 2.78Å; L188-V191 WeakPolarHBondContact O-CB 3.45Å; L188-V191 PolarHBondContact O-N 2.87Å; I189-V191 VanDerWaalsContact C-N 3.31Å; I189-V191 PolarHBondContact O-N 3.08Å; V191-S194 PolarHBondContact O-N 3.49Å; V191-L195 HydrophobicContact CG1-CD1 4.15Å; V191-L195 WeakPolarHBondContact O-CG 3.45Å; V191-L195 PolarHBondContact O-N 3.14Å; V191-Y218 HydrophobicContact CB-CD1 4.32Å; V191-Y218 HydrophobicContact CB-CE1 4.17Å; V191-Y218 HydrophobicContact CG1-CD1 3.86Å; V191-Y218 HydrophobicContact CG1-CE1 4.01Å; V191-Y218 HydrophobicContact CG2-CE1 4.1Å; V191-F225 HydrophobicContact CG1-CZ 4.48Å
192I98.5Very high96.6Very high1 Ų130.9 Ų30.91%0.00519%0.19CC..Hα-helixtrans-66.7-43-175.8-58-54.6000111.5L34 A146 Q152 L188 I189 S194 L195 Q196L34-I192 HydrophobicContact CD2-CB 3.66Å; L34-I192 HydrophobicContact CD2-CG2 3.59Å; A146-I192 HydrophobicContact CB-CG1 4.4Å; Q152-I192 WeakPolarHBondContact O-CG2 3.44Å; L188-I192 PolarHBondContact O-N 2.85Å; L188-I192 VanDerWaalsContact O-N 3.09Å; I189-I192 PolarHBondContact O-N 2.85Å; I192-S194 VanDerWaalsContact C-N 3.32Å; I192-S194 PolarHBondContact O-N 3.37Å; I192-L195 HydrophobicContact CD1-CD1 4.25Å; I192-L195 WeakPolarHBondContact O-CB 3.21Å; I192-L195 PolarHBondContact O-N 3.12Å; I192-L195 VanDerWaalsContact O-N 3.14Å; I192-Q196 WeakPolarHBondContact O-CG 3.33Å; I192-Q196 PolarHBondContact O-N 2.92Å
193G98.6Very high97.5Very high0 Ų031.5 Ų31.50%019%0.189CC..Hα-helixtrans-63.1-37176.100000112.8A38 I189 Q196 A197A38-G193 VanDerWaalsContact CA-O 3.3Å; A38-G193 WeakPolarHBondContact CA-O 3.42Å; A38-G193 VanDerWaalsContact CB-O 3.31Å; A38-G193 WeakPolarHBondContact CB-O 3.3Å; I189-G193 PolarHBondContact O-N 2.96Å; G193-Q196 WeakPolarHBondContact O-CB 3.1Å; G193-Q196 PolarHBondContact O-N 3.22Å; G193-A197 PolarHBondContact O-N 3.06Å
194S98.8Very high98Very high39 Ų3931 Ų3127%0.27318%0.178SC..Hα-helixtrans-64.7-39.5173-570000112.1Y41 G190 V191 I192 Q196 A197 M198Y41-S194 WeakPolarHBondContact CE2-OG 3.43Å; G190-S194 VanDerWaalsContact O-CB 3.28Å; G190-S194 WeakPolarHBondContact O-CB 3.4Å; G190-S194 PolarHBondContact O-N 2.92Å; G190-S194 PolarHBondContact O-OG 2.98Å; V191-S194 PolarHBondContact O-N 3.49Å; I192-S194 VanDerWaalsContact C-N 3.32Å; I192-S194 PolarHBondContact O-N 3.37Å; S194-Q196 VanDerWaalsContact C-N 3.34Å; S194-A197 PolarHBondContact O-N 3Å; S194-M198 WeakPolarHBondContact O-CB 3.32Å; S194-M198 PolarHBondContact O-N 3.07Å
195L98.8Very high98.3Very high52 Ų5231.2 Ų31.227%0.27218%0.182SC..Hα-helixtrans-64.7-39.2173.8-69.7172.5000111.2I153 V191 I192 A197 M198 E199 F225I153-L195 VanDerWaalsContact CD1-C 3.42Å; I153-L195 HydrophobicContact CD1-CB 3.69Å; I153-L195 HydrophobicContact CG2-CB 4.48Å; I153-L195 HydrophobicContact CG2-CD1 4.28Å; V191-L195 HydrophobicContact CG1-CD1 4.15Å; V191-L195 WeakPolarHBondContact O-CG 3.45Å; V191-L195 PolarHBondContact O-N 3.14Å; I192-L195 HydrophobicContact CD1-CD1 4.25Å; I192-L195 WeakPolarHBondContact O-CB 3.21Å; I192-L195 PolarHBondContact O-N 3.12Å; I192-L195 VanDerWaalsContact O-N 3.14Å; L195-A197 PolarHBondContact O-N 3.27Å; L195-M198 PolarHBondContact O-N 3.16Å; L195-E199 WeakPolarHBondContact O-CG 3.45Å; L195-E199 PolarHBondContact O-N 3.11Å; L195-F225 HydrophobicContact CD1-CE1 4.36Å
196Q98.9Very high98.4Very high0 Ų029.7 Ų29.70%019%0.192CC..Hα-helixtrans-60.3-45.9174.5-69.2-177-99.400111.4A38 L118 D119 C120 V142 I153 I192 G193 S194 M198 E199 A200A38-Q196 HydrophobicContact CB-CB 4.3Å; L118-Q196 HydrophobicContact CD2-CB 3.94Å; L118-Q196 HydrophobicContact CG-CB 4.28Å; D119-Q196 PolarHBondContact O-NE2 2.78Å; C120-Q196 PolarHBondContact SG-NE2 3.21Å; C120-Q196 VanDerWaalsContact SG-NE2 3.44Å; V142-Q196 HydrophobicContact CG1-CB 3.95Å; V142-Q196 HydrophobicContact CG1-CG 4.03Å; V142-Q196 PolarHBondContact O-NE2 3.04Å; V142-Q196 VanDerWaalsContact O-NE2 3.17Å; I153-Q196 HydrophobicContact CD1-CB 4.45Å; I153-Q196 HydrophobicContact CD1-CG 3.97Å; I153-Q196 HydrophobicContact CG1-CG 4.46Å; I192-Q196 WeakPolarHBondContact O-CG 3.33Å; I192-Q196 PolarHBondContact O-N 2.92Å; G193-Q196 WeakPolarHBondContact O-CB 3.1Å; G193-Q196 PolarHBondContact O-N 3.22Å; S194-Q196 VanDerWaalsContact C-N 3.34Å; Q196-M198 VanDerWaalsContact C-N 3.33Å; Q196-M198 PolarHBondContact O-N 3.48Å; Q196-E199 PolarHBondContact O-N 2.73Å; Q196-A200 PolarHBondContact O-N 3.34Å
197A98.9Very high98.4Very high1 Ų132.5 Ų32.51%0.00820%0.198CC..Hα-helixtrans-61.9-40.9176.100000112.4A38 L42 G193 S194 L195 A200 I201A38-A197 HydrophobicContact CB-CB 4.48Å; L42-A197 HydrophobicContact CD2-CB 4.07Å; L42-A197 HydrophobicContact CG-CB 4.08Å; G193-A197 PolarHBondContact O-N 3.06Å; S194-A197 PolarHBondContact O-N 3Å; L195-A197 PolarHBondContact O-N 3.27Å; A197-A200 PolarHBondContact O-N 2.86Å; A197-I201 WeakPolarHBondContact O-CG1 3.47Å; A197-I201 PolarHBondContact O-N 3.28Å
198M98.9Very high98.4Very high100 Ų10031.6 Ų31.649%0.49321%0.205SC..Hα-helixtrans-62.7-45.9176.8-177.658.765.200111.9S194 L195 Q196 A200 I201 K202S194-M198 WeakPolarHBondContact O-CB 3.32Å; S194-M198 PolarHBondContact O-N 3.07Å; L195-M198 PolarHBondContact O-N 3.16Å; Q196-M198 VanDerWaalsContact C-N 3.33Å; Q196-M198 PolarHBondContact O-N 3.48Å; M198-A200 VanDerWaalsContact C-N 3.32Å; M198-A200 PolarHBondContact O-N 2.89Å; M198-I201 PolarHBondContact O-N 3.22Å; M198-K202 HydrophobicContact CG-CD 4.1Å; M198-K202 WeakPolarHBondContact O-CD 3.41Å; M198-K202 VanDerWaalsContact O-CG 3.26Å; M198-K202 WeakPolarHBondContact O-CG 3.4Å; M198-K202 PolarHBondContact O-N 3.02Å; M198-K202 HydrophobicContact SD-CD 4.43Å; M198-K202 HydrophobicContact SD-CG 4.47Å
199E98.9Very high98.4Very high18 Ų1839.7 Ų39.78%0.08424%0.24CC..Hα-helixtrans-64.6-36.7177.5-69.1-52.5120.200112.3V142 I153 V155 L195 Q196 K202 L203 P210 A211V142-E199 HydrophobicContact CG1-CB 3.92Å; V142-E199 HydrophobicContact CG2-CB 4.3Å; I153-E199 HydrophobicContact CD1-CB 4.47Å; I153-E199 HydrophobicContact CD1-CG 3.8Å; V155-E199 HydrophobicContact CG2-CB 3.72Å; V155-E199 HydrophobicContact CG2-CG 3.75Å; L195-E199 WeakPolarHBondContact O-CG 3.45Å; L195-E199 PolarHBondContact O-N 3.11Å; Q196-E199 PolarHBondContact O-N 2.73Å; E199-K202 PolarHBondContact O-N 3Å; E199-K202 IonicContact OE1-NZ 2.69Å; E199-K202 PolarHBondContact OE1-NZ 2.86Å; E199-K202 IonicContact OE2-NZ 2.77Å; E199-K202 PolarHBondContact OE2-NZ 3.11Å; E199-L203 WeakPolarHBondContact O-CG 3.36Å; E199-L203 PolarHBondContact O-N 2.91Å; E199-P210 VanDerWaalsContact OE2-CA 3.31Å; E199-P210 WeakPolarHBondContact OE2-CA 3.2Å; E199-A211 HydrophobicContact CG-CB 4.39Å; E199-A211 PolarHBondContact OE2-N 3.21Å
200A98.9Very high98.5Very high0 Ų040.9 Ų40.90%025%0.248CC..Hα-helixtrans-63.4-48.8172.900000112.4L42 L116 L118 Q196 A197 M198 K202 L203 L204L42-A200 HydrophobicContact CD2-CB 3.84Å; L116-A200 HydrophobicContact CD1-CB 4.06Å; L116-A200 HydrophobicContact CD2-CB 3.74Å; L118-A200 HydrophobicContact CD1-CB 3.87Å; Q196-A200 PolarHBondContact O-N 3.34Å; A197-A200 PolarHBondContact O-N 2.86Å; M198-A200 VanDerWaalsContact C-N 3.32Å; M198-A200 PolarHBondContact O-N 2.89Å; A200-K202 VanDerWaalsContact C-N 3.27Å; A200-K202 PolarHBondContact O-N 3.28Å; A200-L203 PolarHBondContact O-N 3.34Å; A200-L203 VanDerWaalsContact O-N 3.15Å; A200-L204 WeakPolarHBondContact O-CB 3.47Å; A200-L204 VanDerWaalsContact O-CG 3.24Å; A200-L204 WeakPolarHBondContact O-CG 3.24Å; A200-L204 PolarHBondContact O-N 3.13Å
201I98.9Very high98.5Very high22 Ų2239.9 Ų39.911%0.11324%0.238CC..Hα-helixtrans-56.8-44.2177.4-71.8164.7000110.8F13 L21 L42 A45 A197 M198 A205F13-I201 HydrophobicContact CE2-CG2 4.1Å; L21-I201 HydrophobicContact CD1-CG1 4.35Å; L21-I201 HydrophobicContact CD1-CG2 4.21Å; L21-I201 HydrophobicContact CD2-CG1 4.45Å; L21-I201 HydrophobicContact CD2-CG2 4.34Å; L42-I201 HydrophobicContact CD2-CG1 4.25Å; A45-I201 HydrophobicContact CB-CD1 3.65Å; A45-I201 HydrophobicContact CB-CG1 4.33Å; A197-I201 WeakPolarHBondContact O-CG1 3.47Å; A197-I201 PolarHBondContact O-N 3.28Å; M198-I201 PolarHBondContact O-N 3.22Å; I201-A205 VanDerWaalsContact O-CB 3.31Å; I201-A205 WeakPolarHBondContact O-CB 3.45Å; I201-A205 PolarHBondContact O-N 3.25Å
202K98.8Very high98.4Very high34 Ų3438.9 Ų38.915%0.14823%0.232CC..Hα-helixtrans-60.6-45.2177.3-72.6165.759.3-1590112.3M198 E199 A200 G206 Y207 K209M198-K202 HydrophobicContact CG-CD 4.1Å; M198-K202 WeakPolarHBondContact O-CD 3.41Å; M198-K202 VanDerWaalsContact O-CG 3.26Å; M198-K202 WeakPolarHBondContact O-CG 3.4Å; M198-K202 PolarHBondContact O-N 3.02Å; M198-K202 HydrophobicContact SD-CD 4.43Å; M198-K202 HydrophobicContact SD-CG 4.47Å; E199-K202 PolarHBondContact O-N 3Å; E199-K202 IonicContact OE1-NZ 2.69Å; E199-K202 PolarHBondContact OE1-NZ 2.86Å; E199-K202 IonicContact OE2-NZ 2.77Å; E199-K202 PolarHBondContact OE2-NZ 3.11Å; A200-K202 VanDerWaalsContact C-N 3.27Å; A200-K202 PolarHBondContact O-N 3.28Å; K202-G206 CarbonylContact O-C 3.54Å; K202-G206 WeakPolarHBondContact O-CA 3.43Å; K202-G206 PolarHBondContact O-N 3.05Å; K202-G206 VanDerWaalsContact O-N 3.13Å; K202-Y207 WeakPolarHBondContact CA-O 3.43Å; K202-Y207 WeakPolarHBondContact CB-O 3.3Å; K202-Y207 HydrophobicContact CG-CD1 4.49Å; K202-Y207 VanDerWaalsContact CG-O 3.27Å; K202-Y207 WeakPolarHBondContact CG-O 3.46Å; K202-Y207 PolarHBondContact O-N 2.71Å; K202-K209 WeakPolarHBondContact CE-O 3.47Å; K202-K209 PolarHBondContact NZ-O 3.38Å
203L98.7Very high98.2Very high42 Ų4239.8 Ų39.822%0.2224%0.243CC..Hα-helixtrans-64.9-51.3178.9-79.2171.1000111.8L116 P140 V142 V155 T157 E199 A200 A205 G206 P210L116-L203 HydrophobicContact CD1-CB 3.65Å; L116-L203 HydrophobicContact CD1-CD1 3.47Å; L116-L203 VanDerWaalsContact CD1-CD1 3.47Å; L116-L203 HydrophobicContact CD1-CG 4.23Å; P140-L203 HydrophobicContact CB-CD1 4.05Å; V142-L203 HydrophobicContact CG2-CD1 3.9Å; V155-L203 HydrophobicContact CG1-CD1 3.62Å; V155-L203 HydrophobicContact CG1-CD2 4.48Å; V155-L203 HydrophobicContact CG1-CG 4.44Å; T157-L203 HydrophobicContact CG2-CD2 3.9Å; E199-L203 WeakPolarHBondContact O-CG 3.36Å; E199-L203 PolarHBondContact O-N 2.91Å; A200-L203 PolarHBondContact O-N 3.34Å; A200-L203 VanDerWaalsContact O-N 3.15Å; L203-A205 PolarHBondContact O-N 2.79Å; L203-G206 PolarHBondContact O-N 3.44Å; L203-P210 HydrophobicContact CD2-CB 3.78Å; L203-P210 HydrophobicContact CD2-CG 4.01Å; L203-P210 HydrophobicContact CG-CB 4.21Å
204L98.8Very high98.1Very high26 Ų2642.4 Ų42.414%0.13625%0.254CS..Hα-helixtrans-63.7-39.5-175.7-65.2171.5000112.4L21 V26 V47 D115 L116 A200L21-L204 HydrophobicContact CD2-CB 3.76Å; L21-L204 HydrophobicContact CD2-CD1 4.16Å; V26-L204 HydrophobicContact CG2-CD1 3.58Å; V26-L204 HydrophobicContact CG2-CD2 4.49Å; V47-L204 HydrophobicContact CG1-CD1 4.46Å; V47-L204 HydrophobicContact CG2-CD1 4.24Å; D115-L204 HydrophobicContact CB-CD2 3.93Å; L116-L204 HydrophobicContact CB-CD2 3.88Å; L116-L204 HydrophobicContact CD1-CD2 4.29Å; L116-L204 HydrophobicContact CD1-CG 4.27Å; A200-L204 WeakPolarHBondContact O-CB 3.47Å; A200-L204 VanDerWaalsContact O-CG 3.24Å; A200-L204 WeakPolarHBondContact O-CG 3.24Å; A200-L204 PolarHBondContact O-N 3.13Å
205A98.5Very high98Very high21 Ų2141.1 Ų41.117%0.17424%0.244CC..THydrogen-bonded Turntrans-89.31.3179.600000113.8F13 L21 I201 L203 Y207F13-A205 HydrophobicContact CD2-CB 4.02Å; F13-A205 HydrophobicContact CE2-CB 3.49Å; F13-A205 VanDerWaalsContact CE2-CB 3.49Å; F13-A205 HydrophobicContact CZ-CB 4.31Å; L21-A205 HydrophobicContact CD2-CB 4.34Å; I201-A205 VanDerWaalsContact O-CB 3.31Å; I201-A205 WeakPolarHBondContact O-CB 3.45Å; I201-A205 PolarHBondContact O-N 3.25Å; L203-A205 PolarHBondContact O-N 2.79Å; A205-Y207 PolarHBondContact O-N 3.45Å
206G98.1Very high98Very high69 Ų6939.5 Ų39.571%0.71124%0.236SC*.THydrogen-bonded Turntrans58.432.4-173.100000113.4K202 L203K202-G206 CarbonylContact O-C 3.54Å; K202-G206 WeakPolarHBondContact O-CA 3.43Å; K202-G206 PolarHBondContact O-N 3.05Å; K202-G206 VanDerWaalsContact O-N 3.13Å; L203-G206 PolarHBondContact O-N 3.44Å
207Y98.2Very high98Very high83 Ų8340.6 Ų40.633%0.32524%0.241SC..  trans-104.5114.3-169.3-176.8-111000112.2F13 K202 A205F13-Y207 HydrophobicContact CB-CD2 4.22Å; F13-Y207 HydrophobicContact CB-CE2 4.21Å; F13-Y207 HydrophobicContact CD2-CD1 4.42Å; F13-Y207 HydrophobicContact CD2-CD2 4.45Å; F13-Y207 HydrophobicContact CD2-CG 4.14Å; K202-Y207 WeakPolarHBondContact CA-O 3.43Å; K202-Y207 WeakPolarHBondContact CB-O 3.3Å; K202-Y207 HydrophobicContact CG-CD1 4.49Å; K202-Y207 VanDerWaalsContact CG-O 3.27Å; K202-Y207 WeakPolarHBondContact CG-O 3.46Å; K202-Y207 PolarHBondContact O-N 2.71Å; A205-Y207 PolarHBondContact O-N 3.45Å
208G97.4Very high97.9Very high70 Ų7042.1 Ų42.172%0.72225%0.247SC*.SBendtrans76.2-148.8179.100000113.3
209K97.7Very high97.9Very high173 Ų17340.1 Ų40.175%0.75224%0.238SC*.  trans-123.5121.2-177-177179179177.90111K202K202-K209 WeakPolarHBondContact CE-O 3.47Å; K202-K209 PolarHBondContact NZ-O 3.38Å
210P97.2Very high97.8Very high33 Ų3340.3 Ų40.321%0.21424%0.243CC..  trans-65.2157179.427.5-34.5000112V155 T157 E199 L203 S212V155-P210 HydrophobicContact CG1-CB 4.1Å; T157-P210 HydrophobicContact CG2-CG 4.45Å; E199-P210 VanDerWaalsContact OE2-CA 3.31Å; E199-P210 WeakPolarHBondContact OE2-CA 3.2Å; L203-P210 HydrophobicContact CD2-CB 3.78Å; L203-P210 HydrophobicContact CD2-CG 4.01Å; L203-P210 HydrophobicContact CG-CB 4.21Å; P210-S212 PolarHBondContact O-N 2.99Å
211A97.7Very high97.8Very high6 Ų647.1 Ų47.15%0.0528%0.276CS..  trans-77.143.4173.600000112.5V155 E199 V216V155-A211 HydrophobicContact CG2-CB 4.06Å; V155-A211 PolarHBondContact N-O 3.14Å; E199-A211 HydrophobicContact CG-CB 4.39Å; E199-A211 PolarHBondContact OE2-N 3.21Å; A211-V216 HydrophobicContact CB-CG2 4.4Å
212S97.1Very high97.7Very high26 Ų2649.6 Ų49.618%0.18229%0.293CS..BIsolated β-bridgetrans-82.5153.7176.272.60000112.3V155 E162 P210 K214V155-S212 VanDerWaalsContact O-CA 3.22Å; V155-S212 WeakPolarHBondContact O-CA 3.37Å; V155-S212 WeakPolarHBondContact O-CB 3.28Å; E162-S212 WeakPolarHBondContact OE1-CB 3.19Å; E162-S212 PolarHBondContact OE1-OG 2.94Å; P210-S212 PolarHBondContact O-N 2.99Å; S212-K214 PolarHBondContact O-N 3.22Å
213G94.3Very high97.7Very high21 Ų2152.4 Ų52.422%0.21632%0.316CS..THydrogen-bonded Turntrans66.414.4-178.800000114.7L230G213-L230 PolarHBondContact O-N 2.93Å
214K97.2Very high97.7Very high54 Ų5454.3 Ų54.324%0.23532%0.324CS..EExtended strand (participates in β ladder)trans-148.6154.7177.965.5178.9-178.1174.60112.3T154 S212 V216 E227 M228T154-K214 WeakPolarHBondContact CG2-O 3.42Å; T154-K214 PolarHBondContact OG1-O 3.2Å; S212-K214 PolarHBondContact O-N 3.22Å; K214-V216 HydrophobicContact CD-CG2 4.25Å; K214-V216 HydrophobicContact CG-CG2 4.38Å; K214-E227 VanDerWaalsContact CD-OE2 3.31Å; K214-E227 WeakPolarHBondContact CD-OE2 3.39Å; K214-E227 IonicContact NZ-OE1 3.8Å; K214-E227 PolarHBondContact NZ-OE1 3Å; K214-E227 IonicContact NZ-OE2 3.52Å; K214-E227 PolarHBondContact NZ-OE2 3.24Å; K214-M228 CarbonylContact C-O 3.49Å; K214-M228 WeakPolarHBondContact CA-O 3.26Å; K214-M228 WeakPolarHBondContact CB-O 3.49Å
215I97.2Very high97.6Very high13 Ų1357.8 Ų57.87%0.06734%0.338CS..EExtended strand (participates in β ladder)trans-102.6124.5166.4-54.5165.2000107.1Q152 T154 L168 M217 E227 M228 L230Q152-I215 HydrophobicContact CB-CG2 4.22Å; T154-I215 WeakPolarHBondContact OG1-CA 3.39Å; L168-I215 HydrophobicContact CD1-CD1 3.46Å; L168-I215 VanDerWaalsContact CD1-CD1 3.46Å; L168-I215 HydrophobicContact CD2-CD1 3.81Å; L168-I215 HydrophobicContact CD2-CG1 4.12Å; L168-I215 HydrophobicContact CG-CD1 4.23Å; I215-M217 HydrophobicContact CG2-CG 4.01Å; I215-M217 HydrophobicContact CG2-SD 3.42Å; I215-M217 WeakPolarHBondContact CG2-SD 3.46Å; I215-E227 WeakPolarHBondContact O-CA 3.42Å; I215-M228 HydrophobicContact CB-CE 4.48Å; I215-M228 HydrophobicContact CG2-CE 4.47Å; I215-M228 PolarHBondContact N-O 3.11Å; I215-M228 PolarHBondContact O-N 3.41Å; I215-L230 HydrophobicContact CD1-CD1 4.3Å; I215-L230 HydrophobicContact CG1-CB 4.36Å; I215-L230 HydrophobicContact CG1-CD2 4.45Å
216V98.2Very high97.6Very high17 Ų1763.2 Ų63.210%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-98.9112.6169.6-176.90000107.4Q152 I153 A211 K214 F225 R226 E227Q152-V216 CarbonylContact C-O 3.59Å; Q152-V216 VanDerWaalsContact CA-O 3.31Å; Q152-V216 WeakPolarHBondContact CA-O 3.48Å; I153-V216 HydrophobicContact CG2-CB 3.75Å; I153-V216 HydrophobicContact CG2-CG1 4.37Å; I153-V216 HydrophobicContact CG2-CG2 4.44Å; I153-V216 PolarHBondContact N-O 3.43Å; I153-V216 PolarHBondContact O-N 2.68Å; A211-V216 HydrophobicContact CB-CG2 4.4Å; K214-V216 HydrophobicContact CD-CG2 4.25Å; K214-V216 HydrophobicContact CG-CG2 4.38Å; V216-F225 HydrophobicContact CG1-CD1 4.13Å; V216-R226 WeakPolarHBondContact CA-O 3.44Å; V216-E227 HydrophobicContact CG2-CG 4.3Å
217M97.7Very high97.6Very high23 Ų2366 Ų6611%0.11335%0.348CS..EExtended strand (participates in β ladder)trans-97140.1176.4-60-60.2-60.200110E150 G151 Q152 I215 F225 R226 M228E150-M217 HydrophobicContact CG-CE 3.62Å; E150-M217 WeakPolarHBondContact OE1-CE 3.36Å; G151-M217 CarbonylContact O-C 3.55Å; G151-M217 WeakPolarHBondContact O-CA 3.49Å; Q152-M217 HydrophobicContact CB-CE 4.03Å; Q152-M217 HydrophobicContact CB-SD 3.43Å; Q152-M217 WeakPolarHBondContact CB-SD 3.38Å; I215-M217 HydrophobicContact CG2-CG 4.01Å; I215-M217 HydrophobicContact CG2-SD 3.42Å; I215-M217 WeakPolarHBondContact CG2-SD 3.46Å; M217-F225 CarbonylContact O-C 3.54Å; M217-F225 VanDerWaalsContact O-CA 3.29Å; M217-F225 WeakPolarHBondContact O-CA 3.36Å; M217-R226 HydrophobicContact CB-CB 4.35Å; M217-R226 PolarHBondContact N-O 3.11Å; M217-R226 PolarHBondContact O-N 3.44Å; M217-M228 HydrophobicContact CG-CE 3.34Å; M217-M228 HydrophobicContact SD-CE 4.15Å
218Y98.3Very high97.5Very high34 Ų3466.5 Ų66.513%0.13336%0.355CS..EExtended strand (participates in β ladder)trans-120.4112.5171.8173.8-137.3000109.5E150 G151 L188 V191 A220 F225E150-Y218 WeakPolarHBondContact CA-O 3.36Å; G151-Y218 PolarHBondContact N-O 3.36Å; G151-Y218 PolarHBondContact O-N 2.88Å; L188-Y218 HydrophobicContact CD1-CD1 3.54Å; L188-Y218 HydrophobicContact CD1-CE1 3.76Å; V191-Y218 HydrophobicContact CB-CD1 4.32Å; V191-Y218 HydrophobicContact CB-CE1 4.17Å; V191-Y218 HydrophobicContact CG1-CD1 3.86Å; V191-Y218 HydrophobicContact CG1-CE1 4.01Å; V191-Y218 HydrophobicContact CG2-CE1 4.1Å; Y218-A220 HydrophobicContact CD1-CB 4.47Å; Y218-A220 HydrophobicContact CE1-CB 3.75Å; Y218-A220 HydrophobicContact CE2-CB 4.33Å; Y218-F225 HydrophobicContact CD1-CZ 4.42Å; Y218-F225 HydrophobicContact CD2-CD1 4.3Å; Y218-F225 HydrophobicContact CD2-CD2 4.08Å; Y218-F225 AromaticContact CD2-CE1 3.84Å; Y218-F225 HydrophobicContact CD2-CE1 3.84Å; Y218-F225 AromaticContact CD2-CE2 3.58Å; Y218-F225 HydrophobicContact CD2-CE2 3.58Å; Y218-F225 HydrophobicContact CD2-CG 4.42Å; Y218-F225 AromaticContact CD2-CZ 3.45Å; Y218-F225 HydrophobicContact CD2-CZ 3.45Å; Y218-F225 VanDerWaalsContact CD2-CZ 3.45Å; Y218-F225 AromaticContact CE2-CE2 3.85Å; Y218-F225 HydrophobicContact CE2-CE2 3.85Å; Y218-F225 AromaticContact CE2-CZ 3.94Å; Y218-F225 HydrophobicContact CE2-CZ 3.94Å; Y218-F225 HydrophobicContact CG-CD1 4.45Å; Y218-F225 AromaticContact CG-CE1 3.81Å; Y218-F225 HydrophobicContact CG-CE1 3.81Å; Y218-F225 HydrophobicContact CG-CE2 4.34Å; Y218-F225 AromaticContact CG-CZ 3.74Å; Y218-F225 HydrophobicContact CG-CZ 3.74Å
219D97.7Very high97.5Very high58 Ų5871 Ų7131%0.3136%0.355SS..EExtended strand (participates in β ladder)trans-91.7106.3168176.4-3.7000108.8M221 T222 C223 Q224D219-M221 VanDerWaalsContact C-N 3.34Å; D219-M221 WeakPolarHBondContact OD1-CA 3.47Å; D219-M221 VanDerWaalsContact OD1-CB 3.28Å; D219-M221 WeakPolarHBondContact OD1-CB 3.29Å; D219-M221 PolarHBondContact OD1-N 3.41Å; D219-T222 PolarHBondContact OD1-N 3.26Å; D219-T222 PolarHBondContact OD2-OG1 3Å; D219-C223 CarbonylContact O-C 3.58Å; D219-C223 VanDerWaalsContact O-CA 3.28Å; D219-C223 WeakPolarHBondContact O-CA 3.29Å; D219-C223 PolarHBondContact O-N 3.49Å; D219-Q224 PolarHBondContact N-O 2.85Å; D219-Q224 PolarHBondContact O-N 3.35Å
220A97.8Very high97.4Very high22 Ų2263.4 Ų63.418%0.18232%0.322CS..THydrogen-bonded Turntrans-78-15.1179.800000113.5M149 L188 Y218 T222M149-A220 HydrophobicContact CB-CB 4.37Å; M149-A220 HydrophobicContact CE-CB 3.73Å; M149-A220 VanDerWaalsContact O-CB 3.27Å; M149-A220 WeakPolarHBondContact O-CB 3.12Å; M149-A220 PolarHBondContact O-N 2.91Å; M149-A220 HydrophobicContact SD-CB 4.42Å; L188-A220 HydrophobicContact CD1-CB 4.15Å; Y218-A220 HydrophobicContact CD1-CB 4.47Å; Y218-A220 HydrophobicContact CE1-CB 3.75Å; Y218-A220 HydrophobicContact CE2-CB 4.33Å; A220-T222 VanDerWaalsContact C-N 3.35Å
221M97.3Very high97.4Very high142 Ų14267.3 Ų67.370%0.734%0.339SS*.THydrogen-bonded Turntrans-70.3-37.4173.9-69.5-65.6-67.800111M149 D219M149-M221 HydrophobicContact CB-CG 3.66Å; M149-M221 HydrophobicContact CB-SD 4.08Å; M149-M221 HydrophobicContact CE-CG 4.3Å; M149-M221 HydrophobicContact CE-SD 3.73Å; M149-M221 HydrophobicContact CG-CG 3.96Å; M149-M221 HydrophobicContact CG-SD 3.66Å; M149-M221 HydrophobicContact SD-SD 4.46Å; D219-M221 VanDerWaalsContact C-N 3.34Å; D219-M221 WeakPolarHBondContact OD1-CA 3.47Å; D219-M221 VanDerWaalsContact OD1-CB 3.28Å; D219-M221 WeakPolarHBondContact OD1-CB 3.29Å; D219-M221 PolarHBondContact OD1-N 3.41Å
222T98Very high97.3Very high74 Ų7471.1 Ų71.145%0.45435%0.352SS..THydrogen-bonded Turntrans-109.3-1.1-177.162.70000113.5D219 A220 Q224D219-T222 PolarHBondContact OD1-N 3.26Å; D219-T222 PolarHBondContact OD2-OG1 3Å; A220-T222 VanDerWaalsContact C-N 3.35Å; T222-Q224 VanDerWaalsContact C-N 3.28Å; T222-Q224 PolarHBondContact O-N 2.98Å; T222-Q224 WeakPolarHBondContact OG1-CG 3.37Å; T222-Q224 PolarHBondContact OG1-OE1 2.85Å
223C97.9Very high97.2Very high94 Ų9472.6 Ų72.664%0.63536%0.357SS*.THydrogen-bonded Turntrans54.443.8-174.3-159.80000112D219D219-C223 CarbonylContact O-C 3.58Å; D219-C223 VanDerWaalsContact O-CA 3.28Å; D219-C223 WeakPolarHBondContact O-CA 3.29Å; D219-C223 PolarHBondContact O-N 3.49Å
224Q98.5Very high97.2Very high82 Ų8276.8 Ų76.838%0.38338%0.381SS..EExtended strand (participates in β ladder)trans-114.1136.7-175.9-69.3-173.8-18.600111.9D219 T222D219-Q224 PolarHBondContact N-O 2.85Å; D219-Q224 PolarHBondContact O-N 3.35Å; T222-Q224 VanDerWaalsContact C-N 3.28Å; T222-Q224 PolarHBondContact O-N 2.98Å; T222-Q224 WeakPolarHBondContact OG1-CG 3.37Å; T222-Q224 PolarHBondContact OG1-OE1 2.85Å
225F98.4Very high97.2Very high99 Ų9976.9 Ų76.943%0.43440%0.398SS..EExtended strand (participates in β ladder)trans-102.5139.9167.8-70.9-95.6000110.1V191 L195 V216 M217 Y218V191-F225 HydrophobicContact CG1-CZ 4.48Å; L195-F225 HydrophobicContact CD1-CE1 4.36Å; V216-F225 HydrophobicContact CG1-CD1 4.13Å; M217-F225 CarbonylContact O-C 3.54Å; M217-F225 VanDerWaalsContact O-CA 3.29Å; M217-F225 WeakPolarHBondContact O-CA 3.36Å; Y218-F225 HydrophobicContact CD1-CZ 4.42Å; Y218-F225 HydrophobicContact CD2-CD1 4.3Å; Y218-F225 HydrophobicContact CD2-CD2 4.08Å; Y218-F225 AromaticContact CD2-CE1 3.84Å; Y218-F225 HydrophobicContact CD2-CE1 3.84Å; Y218-F225 AromaticContact CD2-CE2 3.58Å; Y218-F225 HydrophobicContact CD2-CE2 3.58Å; Y218-F225 HydrophobicContact CD2-CG 4.42Å; Y218-F225 AromaticContact CD2-CZ 3.45Å; Y218-F225 HydrophobicContact CD2-CZ 3.45Å; Y218-F225 VanDerWaalsContact CD2-CZ 3.45Å; Y218-F225 AromaticContact CE2-CE2 3.85Å; Y218-F225 HydrophobicContact CE2-CE2 3.85Å; Y218-F225 AromaticContact CE2-CZ 3.94Å; Y218-F225 HydrophobicContact CE2-CZ 3.94Å; Y218-F225 HydrophobicContact CG-CD1 4.45Å; Y218-F225 AromaticContact CG-CE1 3.81Å; Y218-F225 HydrophobicContact CG-CE1 3.81Å; Y218-F225 HydrophobicContact CG-CE2 4.34Å; Y218-F225 AromaticContact CG-CZ 3.74Å; Y218-F225 HydrophobicContact CG-CZ 3.74Å
226R97.8Very high97.1Very high135 Ų13576.5 Ų76.551%0.50940%0.396SS..EExtended strand (participates in β ladder)trans-131.8135174.5-63.7-68.1-179.9-100.31.8109.1V216 M217V216-R226 WeakPolarHBondContact CA-O 3.44Å; M217-R226 HydrophobicContact CB-CB 4.35Å; M217-R226 PolarHBondContact N-O 3.11Å; M217-R226 PolarHBondContact O-N 3.44Å
227E98.1Very high97Very high128 Ų12881.2 Ų81.260%0.59842%0.417SS*.EExtended strand (participates in β ladder)trans-108127.3171.9-57.5-163.6170.100109.1K214 I215 V216K214-E227 VanDerWaalsContact CD-OE2 3.31Å; K214-E227 WeakPolarHBondContact CD-OE2 3.39Å; K214-E227 IonicContact NZ-OE1 3.8Å; K214-E227 PolarHBondContact NZ-OE1 3Å; K214-E227 IonicContact NZ-OE2 3.52Å; K214-E227 PolarHBondContact NZ-OE2 3.24Å; I215-E227 WeakPolarHBondContact O-CA 3.42Å; V216-E227 HydrophobicContact CG2-CG 4.3Å
228M96.5Very high96.9Very high93 Ų9381.8 Ų81.846%0.45842%0.422SS..EExtended strand (participates in β ladder)trans-120.1129.6175.4-66.4178-66.700109K214 I215 M217 L230K214-M228 CarbonylContact C-O 3.49Å; K214-M228 WeakPolarHBondContact CA-O 3.26Å; K214-M228 WeakPolarHBondContact CB-O 3.49Å; I215-M228 HydrophobicContact CB-CE 4.48Å; I215-M228 HydrophobicContact CG2-CE 4.47Å; I215-M228 PolarHBondContact N-O 3.11Å; I215-M228 PolarHBondContact O-N 3.41Å; M217-M228 HydrophobicContact CG-CE 3.34Å; M217-M228 HydrophobicContact SD-CE 4.15Å; M228-L230 PolarHBondContact O-N 3.19Å
229K97Very high96.8Very high165 Ų16580.3 Ų80.372%0.71742%0.416SS*.EExtended strand (participates in β ladder)trans-65.6128.7176.4-169.7-179.7-174.8-170.20109.5M231K229-M231 HydrophobicContact CD-SD 3.61Å; K229-M231 WeakPolarHBondContact CE-SD 3.45Å; K229-M231 HydrophobicContact CG-SD 3.96Å
230L96.5Very high96.5Very high12 Ų1278.7 Ų78.76%0.06341%0.413CS..PPolyproline II helixtrans-99.5122.5173.8-176.361.3000108.9T154 F156 P163 L168 G213 I215 M228T154-L230 HydrophobicContact CG2-CD2 4.26Å; F156-L230 HydrophobicContact CE1-CD2 3.91Å; P163-L230 HydrophobicContact CB-CD2 3.86Å; P163-L230 HydrophobicContact CB-CG 3.72Å; P163-L230 HydrophobicContact CG-CB 4.04Å; P163-L230 HydrophobicContact CG-CD2 3.74Å; P163-L230 HydrophobicContact CG-CG 3.65Å; L168-L230 HydrophobicContact CB-CD1 4.06Å; L168-L230 HydrophobicContact CB-CD2 4.15Å; L168-L230 HydrophobicContact CD1-CD1 4.39Å; G213-L230 PolarHBondContact O-N 2.93Å; I215-L230 HydrophobicContact CD1-CD1 4.3Å; I215-L230 HydrophobicContact CG1-CB 4.36Å; I215-L230 HydrophobicContact CG1-CD2 4.45Å; M228-L230 PolarHBondContact O-N 3.19Å
231M95.2Very high95.4Very high115 Ų11588.7 Ų88.757%0.56746%0.456SS*.PPolyproline II helixtrans-100.4138.4-178.5-61.7-63.7-68.700110.4K229 N233K229-M231 HydrophobicContact CD-SD 3.61Å; K229-M231 WeakPolarHBondContact CE-SD 3.45Å; K229-M231 HydrophobicContact CG-SD 3.96Å; M231-N233 PolarHBondContact O-N 2.86Å
232R96.6Very high95.3Very high86 Ų8686 Ų8633%0.32544%0.444SS..PPolyproline II helixtrans-60.5132.3164.4-174.9177.8175.4-169.41107.8G161 C239 Q241G161-R232 WeakPolarHBondContact O-CB 3.33Å; R232-C239 PolarHBondContact NE-O 3.17Å; R232-C239 PolarHBondContact NH2-O 3.42Å; R232-Q241 PolarHBondContact NH2-O 3.45Å
233N95.5Very high95.2Very high57 Ų5786.6 Ų86.631%0.30544%0.443SS..PPolyproline II helixtrans-94.9131.91691705000108.7C167 R170 M231 G235 C236C167-N233 PolarHBondContact SG-N 3.33Å; C167-N233 VanDerWaalsContact SG-N 3.36Å; R170-N233 VanDerWaalsContact CZ-CG 3.44Å; R170-N233 PolarHBondContact NE-ND2 3.03Å; R170-N233 VanDerWaalsContact NE-ND2 3.16Å; R170-N233 PolarHBondContact NH1-ND2 3.43Å; M231-N233 PolarHBondContact O-N 2.86Å; N233-G235 PolarHBondContact O-N 3.31Å; N233-G235 PolarHBondContact OD1-N 2.97Å; N233-C236 WeakPolarHBondContact O-CB 3.42Å; N233-C236 PolarHBondContact O-N 3.32Å
234P94.4Very high95Very high110 Ų11086.2 Ų86.271%0.71443%0.432SS*.THydrogen-bonded Turntrans-49.5-38.2173.1-28.634.7000115.1C236 G240P234-C236 PolarHBondContact O-N 2.83Å; P234-G240 WeakPolarHBondContact O-CA 3.48Å
235G95.5Very high94.8Very high56 Ų5686.5 Ų86.558%0.57744%0.435SS*.THydrogen-bonded Turntrans-93.519.9-17700000115.2N233 E237N233-G235 PolarHBondContact O-N 3.31Å; N233-G235 PolarHBondContact OD1-N 2.97Å; G235-E237 PolarHBondContact O-N 2.96Å
236C96.4Very high94.6Very high5 Ų585.7 Ų85.73%0.03444%0.435CS..  trans-64.6132.2179-1730000111.3C164 N233 P234 V238 C239 G240C164-C236 VanDerWaalsContact SG-SG 3.63Å; N233-C236 WeakPolarHBondContact O-CB 3.42Å; N233-C236 PolarHBondContact O-N 3.32Å; P234-C236 PolarHBondContact O-N 2.83Å; C236-V238 PolarHBondContact O-N 3.45Å; C236-C239 VanDerWaalsContact SG-SG 3.63Å; C236-G240 WeakPolarHBondContact O-CA 3.49Å; C236-G240 PolarHBondContact O-N 3.4Å
237E94.9Very high94.4Very high115 Ų11582.4 Ų82.454%0.53743%0.43SS..THydrogen-bonded Turntrans-67.5-20.6-177.7-51.393.7139.400112.7R166 G235R166-E237 VanDerWaalsContact CG-OE2 3.31Å; R166-E237 WeakPolarHBondContact CG-OE2 3.43Å; R166-E237 IonicContact CZ-OE1 2.84Å; R166-E237 IonicContact NE-OE1 3.58Å; R166-E237 PolarHBondContact NE-OE1 3.14Å; R166-E237 IonicContact NE-OE2 3.88Å; R166-E237 PolarHBondContact NE-OE2 3.15Å; R166-E237 VanDerWaalsContact NE-OE2 3.09Å; R166-E237 IonicContact NH2-OE1 3.09Å; R166-E237 PolarHBondContact NH2-OE1 3.44Å; G235-E237 PolarHBondContact O-N 2.96Å
238V96.6Very high94.1Very high36 Ų3679.1 Ų79.122%0.21842%0.418CS..THydrogen-bonded Turntrans-99.5-55.8179.4177.90000111.1F135 R166 C236F135-V238 HydrophobicContact CB-CG1 3.9Å; F135-V238 HydrophobicContact CD1-CG1 3.56Å; F135-V238 HydrophobicContact CD2-CG1 4.32Å; F135-V238 HydrophobicContact CE1-CG1 4.15Å; F135-V238 WeakPolarHBondContact CE1-O 3.45Å; F135-V238 HydrophobicContact CG-CG1 3.65Å; F135-V238 WeakPolarHBondContact CZ-O 3.25Å; R166-V238 HydrophobicContact CB-CB 4.29Å; R166-V238 HydrophobicContact CB-CG2 3.86Å; R166-V238 HydrophobicContact CG-CG2 4.09Å; C236-V238 PolarHBondContact O-N 3.45Å
239C96.4Very high93.9Very high3 Ų378.1 Ų78.12%0.0242%0.415CS..THydrogen-bonded Turntrans-113.819.3-17276.40000113F135 C164 R232 C236F135-C239 HydrophobicContact CD2-CB 4.13Å; F135-C239 HydrophobicContact CE2-CB 3.59Å; F135-C239 HydrophobicContact CZ-CB 4.03Å; C164-C239 HydrophobicContact CB-CB 4.16Å; C164-C239 PolarHBondContact SG-SG 3.11Å; R232-C239 PolarHBondContact NE-O 3.17Å; R232-C239 PolarHBondContact NH2-O 3.42Å; C236-C239 VanDerWaalsContact SG-SG 3.63Å
240G90.6Very high93.6Very high23 Ų2370.8 Ų70.824%0.23739%0.39CS..  trans-80.7-25.3-179.500000113.4P234 C236P234-G240 WeakPolarHBondContact O-CA 3.48Å; C236-G240 WeakPolarHBondContact O-CA 3.49Å; C236-G240 PolarHBondContact O-N 3.4Å
241Q75.3Confident93.4Very high232 Ų23276.2 Ų76.2100%1.08442%0.42SS*.  trans-72.60178.7-55.6-172.720.400112.4R232R232-Q241 PolarHBondContact NH2-O 3.45Å

Retrieved 241 of 241 residues in 44.6 ms (Link to these results)

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