A0A077ZNG7_TRITR Loading...

Carboxylesterase

AlphaFold DB , UniProt , Accession A0A077ZNG7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 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
1M40Very low41.8Very low228 Ų228135 Ų135100%1.12371%0.708SS**  0108.30-66.6172.1177.900106.4Y3M1-Y3 PolarHBondContact O-N 3.2Å; M1-Y3 VanDerWaalsContact O-N 3.15Å
2Q36.7Very low42.5Very low201 Ų201135.2 Ų135.294%0.93970%0.703SS**  trans-71.9106.4176.9-79.5170.1-35.900107.1A4Q2-A4 PolarHBondContact O-N 2.66Å; Q2-A4 VanDerWaalsContact O-N 3.12Å
3Y40.4Very low43.4Very low214 Ų214136.5 Ų136.584%0.83970%0.703SS**  trans-59.1115163.3-76-91.9000106.2M1 K5M1-Y3 PolarHBondContact O-N 3.2Å; M1-Y3 VanDerWaalsContact O-N 3.15Å; Y3-K5 PolarHBondContact O-N 3.12Å
4A45.5Very low43.7Very low93 Ų93133.5 Ų133.577%0.76970%0.699SS**  trans-51.6113.2159.400000105.3Q2 P6Q2-A4 PolarHBondContact O-N 2.66Å; Q2-A4 VanDerWaalsContact O-N 3.12Å; A4-P6 WeakPolarHBondContact O-CD 3.42Å; A4-P6 VanDerWaalsContact O-N 3.08Å
5K39.7Very low45.4Very low186 Ų186129.5 Ų129.581%0.80968%0.678SS**  trans-53.3121.3171.9-79.8178173.51790105.2Y3 V7Y3-K5 PolarHBondContact O-N 3.12Å; K5-V7 PolarHBondContact O-N 2.9Å
6P37.1Very low47.1Very low107 Ų107126.3 Ų126.370%0.69565%0.654SS**  trans-58.8113.4166.224.7-29.5000104.6A4 T8A4-P6 WeakPolarHBondContact O-CD 3.42Å; A4-P6 VanDerWaalsContact O-N 3.08Å; P6-T8 PolarHBondContact O-N 3.4Å
7V42.4Very low48.9Very low116 Ų116127.2 Ų127.270%0.70366%0.66SS**  trans-67.390.5160.3-174.80000102.6K5 L9K5-V7 PolarHBondContact O-N 2.9Å; V7-L9 HydrophobicContact CG1-CD1 4.13Å; V7-L9 HydrophobicContact CG1-CD2 4Å; V7-L9 HydrophobicContact CG1-CG 3.73Å; V7-L9 PolarHBondContact O-N 2.82Å
8T39.2Very low51Low95 Ų95123.7 Ų123.758%0.58365%0.648SS**  trans-6784.1171.5-54.30000106P6 N10P6-T8 PolarHBondContact O-N 3.4Å; T8-N10 HydrophobicContact CG2-CB 4.07Å; T8-N10 VanDerWaalsContact CG2-CG 3.47Å; T8-N10 WeakPolarHBondContact CG2-OD1 3.47Å; T8-N10 PolarHBondContact O-N 2.92Å
9L48.4Very low53Low66 Ų66117.7 Ų117.735%0.34662%0.616SS.*  trans-76.674.2160.9-64.2165.8000105V7 V11 I54V7-L9 HydrophobicContact CG1-CD1 4.13Å; V7-L9 HydrophobicContact CG1-CD2 4Å; V7-L9 HydrophobicContact CG1-CG 3.73Å; V7-L9 PolarHBondContact O-N 2.82Å; L9-V11 PolarHBondContact O-N 2.99Å; L9-I54 HydrophobicContact CB-CD1 3.61Å; L9-I54 HydrophobicContact CD1-CB 4.48Å; L9-I54 HydrophobicContact CD1-CD1 3.32Å; L9-I54 HydrophobicContact CD1-CG1 3.86Å; L9-I54 HydrophobicContact CD1-CG2 3.87Å; L9-I54 HydrophobicContact CG-CD1 3.99Å
10N42.4Very low54.8Low137 Ų137112.2 Ų112.273%0.73359%0.587SS**  trans-64.183.7165.6-98.38000106.5T8T8-N10 HydrophobicContact CG2-CB 4.07Å; T8-N10 VanDerWaalsContact CG2-CG 3.47Å; T8-N10 WeakPolarHBondContact CG2-OD1 3.47Å; T8-N10 PolarHBondContact O-N 2.92Å
11V48.2Very low56.5Low42 Ų42109.1 Ų109.126%0.25557%0.574SS.*  trans-10297.6163.7-177.40000104.6L9 D15 F53L9-V11 PolarHBondContact O-N 2.99Å; V11-D15 HydrophobicContact CG1-CB 3.33Å; V11-F53 WeakPolarHBondContact CB-O 3.23Å; V11-F53 HydrophobicContact CG1-CB 3.94Å; V11-F53 WeakPolarHBondContact CG1-O 3.31Å; V11-F53 WeakPolarHBondContact CG2-O 3.36Å
12E50.3Low58.9Low137 Ų137101.4 Ų101.464%0.6453%0.533SS*.  trans-50.7147.4178.7-79176.566.600109.8C14 D15E12-C14 HydrophobicContact CB-CB 4.37Å; E12-C14 PolarHBondContact O-N 3.22Å; E12-D15 WeakPolarHBondContact O-CA 3.47Å; E12-D15 WeakPolarHBondContact O-CB 3.38Å; E12-D15 PolarHBondContact O-N 3.35Å
13E53.7Low61.5Low152 Ų15291.8 Ų91.871%0.7149%0.488SS*.Hα-helixtrans-53.5-27.1174.7-64.2-177.887.900112.6D15 R16E13-D15 PolarHBondContact O-N 3.36Å; E13-R16 WeakPolarHBondContact O-CB 3.44Å; E13-R16 PolarHBondContact O-N 2.82Å
14C48.6Very low63.9Low95 Ų9581.6 Ų81.664%0.64245%0.448SS*.Hα-helixtrans-59.4-33.7172.1-65.90000112.9E12 R16E12-C14 HydrophobicContact CB-CB 4.37Å; E12-C14 PolarHBondContact O-N 3.22Å; C14-R16 VanDerWaalsContact C-N 3.32Å
15D68.2Low65.9Low73 Ų7377.7 Ų77.739%0.3942%0.417SS..Hα-helixtrans-72.5-23.1173.7-81.7-41.6000111.9V11 E12 E13 L17 S18 F19V11-D15 HydrophobicContact CG1-CB 3.33Å; E12-D15 WeakPolarHBondContact O-CA 3.47Å; E12-D15 WeakPolarHBondContact O-CB 3.38Å; E12-D15 PolarHBondContact O-N 3.35Å; E13-D15 PolarHBondContact O-N 3.36Å; D15-L17 VanDerWaalsContact C-N 3.3Å; D15-L17 PolarHBondContact O-N 2.94Å; D15-S18 PolarHBondContact O-N 3.11Å; D15-S18 PolarHBondContact O-OG 3.42Å; D15-S18 VanDerWaalsContact O-OG 3.04Å; D15-F19 WeakPolarHBondContact O-CA 3.14Å; D15-F19 WeakPolarHBondContact O-CB 3.33Å; D15-F19 PolarHBondContact O-N 2.92Å
16R73.5Confident68.2Low78 Ų7875.7 Ų75.729%0.29442%0.415SS..Hα-helixtrans-56.4-46174.4178.1178.5176.4-179.2-9111.6E13 C14 S18 F19 L20 E32 Y36 F53E13-R16 WeakPolarHBondContact O-CB 3.44Å; E13-R16 PolarHBondContact O-N 2.82Å; C14-R16 VanDerWaalsContact C-N 3.32Å; R16-S18 PolarHBondContact O-N 3.49Å; R16-F19 PolarHBondContact O-N 3.01Å; R16-L20 HydrophobicContact CG-CD1 3.48Å; R16-L20 VanDerWaalsContact CG-CD1 3.48Å; R16-L20 HydrophobicContact CG-CG 4.15Å; R16-L20 WeakPolarHBondContact O-CB 3.18Å; R16-L20 WeakPolarHBondContact O-CG 3.22Å; R16-L20 PolarHBondContact O-N 3.13Å; R16-E32 IonicContact CZ-OE1 2.82Å; R16-E32 IonicContact CZ-OE2 3.75Å; R16-E32 IonicContact NE-OE1 2.68Å; R16-E32 PolarHBondContact NE-OE1 3.35Å; R16-E32 IonicContact NH2-OE1 3.95Å; R16-E32 PolarHBondContact NH2-OE1 3.49Å; R16-E32 IonicContact NH2-OE2 2.91Å; R16-E32 PolarHBondContact NH2-OE2 3.18Å; R16-Y36 PolarHBondContact NH2-OH 2.88Å; R16-F53 HydrophobicContact CB-CD2 4Å; R16-F53 HydrophobicContact CB-CE1 4.42Å; R16-F53 HydrophobicContact CB-CE2 3.68Å; R16-F53 HydrophobicContact CB-CZ 3.94Å; R16-F53 HydrophobicContact CG-CD1 4.46Å; R16-F53 HydrophobicContact CG-CD2 4.32Å; R16-F53 HydrophobicContact CG-CE1 3.77Å; R16-F53 HydrophobicContact CG-CE2 3.64Å; R16-F53 HydrophobicContact CG-CZ 3.34Å
17L78Confident70.5Confident142 Ų14271.5 Ų71.574%0.74339%0.387SS*.Hα-helixtrans-64.2-28.7-177.8-69.9174.6000112.6D15 P21D15-L17 VanDerWaalsContact C-N 3.3Å; D15-L17 PolarHBondContact O-N 2.94Å; L17-P21 WeakPolarHBondContact O-CD 3.45Å; L17-P21 VanDerWaalsContact O-CG 3.28Å; L17-P21 WeakPolarHBondContact O-CG 3.33Å
18S85.4Confident72.7Confident65 Ų6569.6 Ų69.646%0.45537%0.369SS..Hα-helixtrans-92.4-34.6177.271.20000112.1D15 R16 Y22D15-S18 PolarHBondContact O-N 3.11Å; D15-S18 PolarHBondContact O-OG 3.42Å; D15-S18 VanDerWaalsContact O-OG 3.04Å; R16-S18 PolarHBondContact O-N 3.49Å; S18-Y22 VanDerWaalsContact O-CB 3.24Å; S18-Y22 WeakPolarHBondContact O-CB 3.41Å; S18-Y22 PolarHBondContact O-N 2.77Å; S18-Y22 VanDerWaalsContact O-N 3.16Å
19F88.7Confident75.1Confident10 Ų1070.2 Ų70.24%0.04437%0.368CS..Hα-helixtrans-71.5-42.9-175.3179.4-93.9000112.3D15 R16 Y22 L23 F53 I54 R55 M63D15-F19 WeakPolarHBondContact O-CA 3.14Å; D15-F19 WeakPolarHBondContact O-CB 3.33Å; D15-F19 PolarHBondContact O-N 2.92Å; R16-F19 PolarHBondContact O-N 3.01Å; F19-Y22 HydrophobicContact CD2-CD1 4.4Å; F19-Y22 CarbonylContact O-C 3.55Å; F19-Y22 WeakPolarHBondContact O-CA 3.39Å; F19-Y22 WeakPolarHBondContact O-CB 3Å; F19-Y22 PolarHBondContact O-N 3.27Å; F19-Y22 VanDerWaalsContact O-N 3.17Å; F19-L23 HydrophobicContact CD1-CB 4.48Å; F19-L23 HydrophobicContact CD1-CD2 4.46Å; F19-L23 HydrophobicContact CE1-CB 4.23Å; F19-L23 HydrophobicContact CE1-CD2 3.56Å; F19-L23 HydrophobicContact CE1-CG 4.49Å; F19-L23 HydrophobicContact CZ-CD2 3.9Å; F19-L23 VanDerWaalsContact O-CB 3.31Å; F19-L23 WeakPolarHBondContact O-CB 3.45Å; F19-L23 PolarHBondContact O-N 3.15Å; F19-F53 HydrophobicContact CD1-CB 3.73Å; F19-F53 AromaticContact CD1-CD1 3.57Å; F19-F53 HydrophobicContact CD1-CD1 3.57Å; F19-F53 HydrophobicContact CD1-CG 4.04Å; F19-F53 HydrophobicContact CD2-CB 4.49Å; F19-F53 HydrophobicContact CE1-CB 3.91Å; F19-F53 AromaticContact CE1-CD1 3.88Å; F19-F53 HydrophobicContact CE1-CD1 3.88Å; F19-F53 HydrophobicContact CE1-CG 4.39Å; F19-F53 HydrophobicContact CG-CB 4.02Å; F19-F53 HydrophobicContact CG-CD1 4.49Å; F19-F53 HydrophobicContact CZ-CB 4.37Å; F19-I54 WeakPolarHBondContact CZ-O 3.26Å; F19-R55 HydrophobicContact CE2-CB 4.08Å; F19-M63 HydrophobicContact CE1-CG 4.34Å
20L90.5Very high77.1Confident6 Ų675.1 Ų75.13%0.03138%0.384CS..Hα-helixtrans-65.6-48.8-177.7-72.2171.6000112.1R16 Y22 L23 F24 F28 E32 F53 M63R16-L20 HydrophobicContact CG-CD1 3.48Å; R16-L20 VanDerWaalsContact CG-CD1 3.48Å; R16-L20 HydrophobicContact CG-CG 4.15Å; R16-L20 WeakPolarHBondContact O-CB 3.18Å; R16-L20 WeakPolarHBondContact O-CG 3.22Å; R16-L20 PolarHBondContact O-N 3.13Å; L20-Y22 VanDerWaalsContact C-N 3.25Å; L20-Y22 PolarHBondContact O-N 3.23Å; L20-L23 PolarHBondContact O-N 3.22Å; L20-F24 HydrophobicContact CD2-CD2 3.92Å; L20-F24 HydrophobicContact CD2-CE2 3.85Å; L20-F24 PolarHBondContact O-N 3.02Å; L20-F28 VanDerWaalsContact C-CB 3.42Å; L20-F28 HydrophobicContact CB-CB 3.93Å; L20-F28 HydrophobicContact CB-CD2 4.02Å; L20-F28 HydrophobicContact CB-CG 4.34Å; L20-F28 WeakPolarHBondContact O-CB 3.12Å; L20-E32 WeakPolarHBondContact CD1-OE1 3.37Å; L20-F53 HydrophobicContact CD1-CE1 4.18Å; L20-F53 HydrophobicContact CD2-CD1 4.32Å; L20-F53 HydrophobicContact CD2-CE1 3.92Å; L20-F53 HydrophobicContact CG-CD1 4.44Å; L20-F53 HydrophobicContact CG-CE1 4.05Å; L20-M63 HydrophobicContact CD2-CE 4.36Å; L20-M63 HydrophobicContact CD2-CG 4.39Å; L20-M63 HydrophobicContact CD2-SD 3.47Å; L20-M63 WeakPolarHBondContact CD2-SD 3.3Å
21P89.9Confident79.4Confident48 Ų4868.6 Ų68.631%0.31235%0.349SS..Hα-helixtrans-60.3-33.8169.9-2434.6000113.2L17 G25 F28L17-P21 WeakPolarHBondContact O-CD 3.45Å; L17-P21 VanDerWaalsContact O-CG 3.28Å; L17-P21 WeakPolarHBondContact O-CG 3.33Å; P21-G25 WeakPolarHBondContact O-CA 3.27Å; P21-G25 PolarHBondContact O-N 3.12Å; P21-F28 HydrophobicContact CB-CD1 4.26Å; P21-F28 HydrophobicContact CG-CD1 3.91Å; P21-F28 HydrophobicContact CG-CD2 4.25Å; P21-F28 HydrophobicContact CG-CE1 4.14Å; P21-F28 HydrophobicContact CG-CE2 4.46Å; P21-F28 HydrophobicContact CG-CG 3.97Å; P21-F28 HydrophobicContact CG-CZ 4.41Å
22Y90.2Very high81.5Confident66 Ų6667.7 Ų67.726%0.25934%0.342SS..Hα-helixtrans-66.4-38.9175.1164.6-100.5000113.1S18 F19 L20 G60 R119S18-Y22 VanDerWaalsContact O-CB 3.24Å; S18-Y22 WeakPolarHBondContact O-CB 3.41Å; S18-Y22 PolarHBondContact O-N 2.77Å; S18-Y22 VanDerWaalsContact O-N 3.16Å; F19-Y22 HydrophobicContact CD2-CD1 4.4Å; F19-Y22 CarbonylContact O-C 3.55Å; F19-Y22 WeakPolarHBondContact O-CA 3.39Å; F19-Y22 WeakPolarHBondContact O-CB 3Å; F19-Y22 PolarHBondContact O-N 3.27Å; F19-Y22 VanDerWaalsContact O-N 3.17Å; L20-Y22 VanDerWaalsContact C-N 3.25Å; L20-Y22 PolarHBondContact O-N 3.23Å; Y22-G60 PolarHBondContact OH-N 2.9Å; Y22-R119 PolarHBondContact O-NH2 3.46Å
23L91.2Very high83.5Confident0 Ų063.9 Ų63.90%033%0.333CS..Hα-helixtrans-80.4-48.3-176.4-178.757.1000111.5F19 L20 G61 T93 R119F19-L23 HydrophobicContact CD1-CB 4.48Å; F19-L23 HydrophobicContact CD1-CD2 4.46Å; F19-L23 HydrophobicContact CE1-CB 4.23Å; F19-L23 HydrophobicContact CE1-CD2 3.56Å; F19-L23 HydrophobicContact CE1-CG 4.49Å; F19-L23 HydrophobicContact CZ-CD2 3.9Å; F19-L23 VanDerWaalsContact O-CB 3.31Å; F19-L23 WeakPolarHBondContact O-CB 3.45Å; F19-L23 PolarHBondContact O-N 3.15Å; L20-L23 PolarHBondContact O-N 3.22Å; L23-G61 VanDerWaalsContact CD1-O 3.31Å; L23-G61 WeakPolarHBondContact CD1-O 3.23Å; L23-T93 HydrophobicContact CD2-CG2 4.2Å; L23-R119 HydrophobicContact CD1-CG 4.33Å
24F91Very high85.4Confident0 Ų060.4 Ų60.40%031%0.314CS..Hα-helixtrans-109.9-0.7-169.9-62.8-57.9000114.2L20 F28 A31 V35 M63 T93 V96 I97 Y116L20-F24 HydrophobicContact CD2-CD2 3.92Å; L20-F24 HydrophobicContact CD2-CE2 3.85Å; L20-F24 PolarHBondContact O-N 3.02Å; F24-F28 HydrophobicContact CB-CB 4.02Å; F24-A31 HydrophobicContact CB-CB 3.78Å; F24-A31 HydrophobicContact CD1-CB 3.49Å; F24-A31 VanDerWaalsContact CD1-CB 3.49Å; F24-A31 HydrophobicContact CD2-CB 3.51Å; F24-A31 HydrophobicContact CE1-CB 3.84Å; F24-A31 HydrophobicContact CE2-CB 3.85Å; F24-A31 HydrophobicContact CG-CB 3.31Å; F24-A31 HydrophobicContact CZ-CB 4Å; F24-V35 HydrophobicContact CZ-CG2 4.34Å; F24-M63 HydrophobicContact CE2-SD 3.88Å; F24-M63 HydrophobicContact CZ-SD 4.44Å; F24-T93 HydrophobicContact CZ-CG2 4.33Å; F24-V96 HydrophobicContact CE1-CG1 3.94Å; F24-V96 HydrophobicContact CZ-CG1 4.33Å; F24-I97 HydrophobicContact CE1-CG1 4.15Å; F24-Y116 HydrophobicContact CD1-CE1 4.09Å; F24-Y116 PolarHBondContact O-OH 3.49Å
25G88.3Confident87.5Confident11 Ų1155.9 Ų55.911%0.11328%0.284CS..G310 helixtrans63.5-139.1-177.300000111.5P21 D27 F28P21-G25 WeakPolarHBondContact O-CA 3.27Å; P21-G25 PolarHBondContact O-N 3.12Å; G25-D27 PolarHBondContact O-N 3.12Å; G25-F28 WeakPolarHBondContact O-CD1 3.24Å; G25-F28 PolarHBondContact O-N 3.04Å
26N86.4Confident88.7Confident144 Ų14455.3 Ų55.377%0.7728%0.276SS*.G310 helixtrans-69.6-16.7-175.5-68.5-13000114.1F28N26-F28 VanDerWaalsContact C-N 3.31Å
27D85.8Confident89.6Confident19 Ų1954.2 Ų54.210%0.10228%0.284CS..G310 helixtrans-92.311.2-179.2-57.5-64.3000114.1G25 L29 Y30 A31 Q100 Y104 Y116G25-D27 PolarHBondContact O-N 3.12Å; D27-L29 PolarHBondContact O-N 2.83Å; D27-Y30 WeakPolarHBondContact O-CA 3.1Å; D27-Y30 PolarHBondContact O-N 3.33Å; D27-A31 WeakPolarHBondContact O-CB 3.34Å; D27-A31 PolarHBondContact O-N 3.17Å; D27-Q100 VanDerWaalsContact CB-NE2 3.32Å; D27-Q100 PolarHBondContact OD2-NE2 2.81Å; D27-Y104 PolarHBondContact OD1-OH 2.97Å; D27-Y104 WeakPolarHBondContact OD2-CE2 3.48Å; D27-Y104 PolarHBondContact OD2-OH 3.14Å; D27-Y116 PolarHBondContact OD2-OH 3.28Å
28F88.2Confident90.3Very high75 Ų7548.2 Ų48.233%0.32925%0.253SS..Hα-helixtrans-52.2-34.2-170.873.7-91.1000113.8L20 P21 F24 G25 N26 E32L20-F28 VanDerWaalsContact C-CB 3.42Å; L20-F28 HydrophobicContact CB-CB 3.93Å; L20-F28 HydrophobicContact CB-CD2 4.02Å; L20-F28 HydrophobicContact CB-CG 4.34Å; L20-F28 WeakPolarHBondContact O-CB 3.12Å; P21-F28 HydrophobicContact CB-CD1 4.26Å; P21-F28 HydrophobicContact CG-CD1 3.91Å; P21-F28 HydrophobicContact CG-CD2 4.25Å; P21-F28 HydrophobicContact CG-CE1 4.14Å; P21-F28 HydrophobicContact CG-CE2 4.46Å; P21-F28 HydrophobicContact CG-CG 3.97Å; P21-F28 HydrophobicContact CG-CZ 4.41Å; F24-F28 HydrophobicContact CB-CB 4.02Å; G25-F28 WeakPolarHBondContact O-CD1 3.24Å; G25-F28 PolarHBondContact O-N 3.04Å; N26-F28 VanDerWaalsContact C-N 3.31Å; F28-E32 WeakPolarHBondContact O-CB 3.21Å; F28-E32 PolarHBondContact O-N 3.14Å
29L89.9Confident90.7Very high108 Ų10845.1 Ų45.157%0.56523%0.231SC*.Hα-helixtrans-68.2-43175.3-171.866.1000112.8D27 A33D27-L29 PolarHBondContact O-N 2.83Å; L29-A33 WeakPolarHBondContact O-CB 3.33Å; L29-A33 PolarHBondContact O-N 2.98Å; L29-A33 VanDerWaalsContact O-N 3.09Å
30Y91Very high90.9Very high170 Ų17052.4 Ų52.467%0.66726%0.263SS*.Hα-helixtrans-70-41.5177.4-65.4-68.4000111.5D27 A33 Y34D27-Y30 WeakPolarHBondContact O-CA 3.1Å; D27-Y30 PolarHBondContact O-N 3.33Å; Y30-A33 PolarHBondContact O-N 2.93Å; Y30-Y34 VanDerWaalsContact O-CB 3.3Å; Y30-Y34 WeakPolarHBondContact O-CB 3.4Å; Y30-Y34 PolarHBondContact O-N 3.12Å
31A91Very high91Very high0 Ų060 Ų600%030%0.295CS..Hα-helixtrans-62.8-46.5177.500000111.1F24 D27 Y34 V35 V96F24-A31 HydrophobicContact CB-CB 3.78Å; F24-A31 HydrophobicContact CD1-CB 3.49Å; F24-A31 VanDerWaalsContact CD1-CB 3.49Å; F24-A31 HydrophobicContact CD2-CB 3.51Å; F24-A31 HydrophobicContact CE1-CB 3.84Å; F24-A31 HydrophobicContact CE2-CB 3.85Å; F24-A31 HydrophobicContact CG-CB 3.31Å; F24-A31 HydrophobicContact CZ-CB 4Å; D27-A31 WeakPolarHBondContact O-CB 3.34Å; D27-A31 PolarHBondContact O-N 3.17Å; A31-Y34 PolarHBondContact O-N 2.53Å; A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.38Å; A31-V96 HydrophobicContact CB-CG1 3.82Å
32E91.3Very high91.1Very high23 Ų2357.9 Ų57.911%0.10728%0.282CS..Hα-helixtrans-58.8-50.4175.1175.8176-100.200112R16 L20 F28 Y34 V35 Y36 M63R16-E32 IonicContact CZ-OE1 2.82Å; R16-E32 IonicContact CZ-OE2 3.75Å; R16-E32 IonicContact NE-OE1 2.68Å; R16-E32 PolarHBondContact NE-OE1 3.35Å; R16-E32 IonicContact NH2-OE1 3.95Å; R16-E32 PolarHBondContact NH2-OE1 3.49Å; R16-E32 IonicContact NH2-OE2 2.91Å; R16-E32 PolarHBondContact NH2-OE2 3.18Å; L20-E32 WeakPolarHBondContact CD1-OE1 3.37Å; F28-E32 WeakPolarHBondContact O-CB 3.21Å; F28-E32 PolarHBondContact O-N 3.14Å; E32-Y34 PolarHBondContact O-N 3.08Å; E32-V35 WeakPolarHBondContact O-CB 3.5Å; E32-V35 PolarHBondContact O-N 3.23Å; E32-V35 VanDerWaalsContact O-N 3.16Å; E32-Y36 HydrophobicContact CG-CD2 4.12Å; E32-Y36 HydrophobicContact CG-CE1 4.4Å; E32-Y36 HydrophobicContact CG-CE2 3.47Å; E32-Y36 VanDerWaalsContact CG-CE2 3.47Å; E32-Y36 PolarHBondContact O-N 2.96Å; E32-Y36 VanDerWaalsContact O-N 3.09Å; E32-Y36 PolarHBondContact OE1-OH 3.32Å; E32-M63 HydrophobicContact CG-CE 4.32Å
33A92.6Very high91.1Very high56 Ų5654.8 Ų54.846%0.46327%0.269SS..Hα-helixtrans-58.8-35.5177.900000111.7L29 Y30 Y36 A37L29-A33 WeakPolarHBondContact O-CB 3.33Å; L29-A33 PolarHBondContact O-N 2.98Å; L29-A33 VanDerWaalsContact O-N 3.09Å; Y30-A33 PolarHBondContact O-N 2.93Å; A33-Y36 PolarHBondContact O-N 3.28Å; A33-A37 WeakPolarHBondContact O-CB 3.38Å; A33-A37 PolarHBondContact O-N 2.83Å
34Y93.2Very high91Very high79 Ų7959 Ų5931%0.3130%0.297SS..Hα-helixtrans-72.2-38.9178.1-161.6-117.7000112.7Y30 A31 E32 Y36 A37 L38 V96 R99Y30-Y34 VanDerWaalsContact O-CB 3.3Å; Y30-Y34 WeakPolarHBondContact O-CB 3.4Å; Y30-Y34 PolarHBondContact O-N 3.12Å; A31-Y34 PolarHBondContact O-N 2.53Å; E32-Y34 PolarHBondContact O-N 3.08Å; Y34-Y36 VanDerWaalsContact C-N 3.29Å; Y34-Y36 PolarHBondContact O-N 3.42Å; Y34-A37 PolarHBondContact O-N 2.72Å; Y34-L38 HydrophobicContact CD1-CD1 3.98Å; Y34-L38 HydrophobicContact CD1-CG 4.27Å; Y34-L38 HydrophobicContact CE1-CD1 3.72Å; Y34-L38 HydrophobicContact CE1-CD2 4.27Å; Y34-L38 HydrophobicContact CE1-CG 3.98Å; Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 WeakPolarHBondContact O-CG 3.32Å; Y34-L38 PolarHBondContact O-N 3.26Å; Y34-V96 HydrophobicContact CD1-CB 4.22Å; Y34-V96 HydrophobicContact CD1-CG1 4.25Å; Y34-V96 HydrophobicContact CD1-CG2 3.54Å; Y34-V96 HydrophobicContact CE1-CG2 4.32Å; Y34-V96 HydrophobicContact CG-CG2 4.37Å; Y34-R99 HydrophobicContact CE1-CB 4.33Å; Y34-R99 HydrophobicContact CE1-CG 4.38Å; Y34-R99 VanDerWaalsContact OH-CD 3.3Å; Y34-R99 WeakPolarHBondContact OH-CD 3.19Å
35V94Very high90.8Very high0 Ų066.2 Ų66.20%033%0.331CS..Hα-helixtrans-56-47.3171.31710000109.9F24 A31 E32 A37 L38 A39 W51 M63 L92 V96F24-V35 HydrophobicContact CZ-CG2 4.34Å; A31-V35 WeakPolarHBondContact O-CG2 3.43Å; A31-V35 PolarHBondContact O-N 3.38Å; E32-V35 WeakPolarHBondContact O-CB 3.5Å; E32-V35 PolarHBondContact O-N 3.23Å; E32-V35 VanDerWaalsContact O-N 3.16Å; V35-A37 PolarHBondContact O-N 3.07Å; V35-L38 PolarHBondContact O-N 3.03Å; V35-A39 WeakPolarHBondContact O-CB 3.26Å; V35-A39 PolarHBondContact O-N 2.85Å; V35-W51 HydrophobicContact CG1-CE3 4.28Å; V35-W51 HydrophobicContact CG1-CH2 3.56Å; V35-W51 HydrophobicContact CG1-CZ2 4.36Å; V35-W51 HydrophobicContact CG1-CZ3 3.5Å; V35-M63 HydrophobicContact CG1-CE 4.3Å; V35-M63 HydrophobicContact CG2-SD 4.28Å; V35-L92 HydrophobicContact CG1-CB 4.4Å; V35-V96 HydrophobicContact CB-CG2 4.31Å; V35-V96 HydrophobicContact CG2-CB 4.17Å; V35-V96 HydrophobicContact CG2-CG1 4.41Å; V35-V96 HydrophobicContact CG2-CG2 3.45Å; V35-V96 VanDerWaalsContact CG2-CG2 3.45Å
36Y93Very high90.8Very high61 Ų6167.3 Ų67.324%0.23933%0.331CS..Hα-helixtrans-66.9-36.9179.4-60.7-22.8000113.2R16 E32 A33 Y34 A39 K40 W51 M63R16-Y36 PolarHBondContact NH2-OH 2.88Å; E32-Y36 HydrophobicContact CG-CD2 4.12Å; E32-Y36 HydrophobicContact CG-CE1 4.4Å; E32-Y36 HydrophobicContact CG-CE2 3.47Å; E32-Y36 VanDerWaalsContact CG-CE2 3.47Å; E32-Y36 PolarHBondContact O-N 2.96Å; E32-Y36 VanDerWaalsContact O-N 3.09Å; E32-Y36 PolarHBondContact OE1-OH 3.32Å; A33-Y36 PolarHBondContact O-N 3.28Å; Y34-Y36 VanDerWaalsContact C-N 3.29Å; Y34-Y36 PolarHBondContact O-N 3.42Å; Y36-A39 WeakPolarHBondContact O-CB 3.27Å; Y36-A39 PolarHBondContact O-N 3.4Å; Y36-K40 PolarHBondContact O-N 3.33Å; Y36-W51 HydrophobicContact CD1-CD2 4.24Å; Y36-W51 AromaticContact CD1-CE2 3.58Å; Y36-W51 HydrophobicContact CD1-CH2 4.4Å; Y36-W51 AromaticContact CD1-CZ2 3.68Å; Y36-W51 HydrophobicContact CD1-CZ2 3.68Å; Y36-W51 AromaticContact CD1-NE1 3.7Å; Y36-W51 AromaticContact CE1-CD1 3.56Å; Y36-W51 AromaticContact CE1-CD2 3.65Å; Y36-W51 HydrophobicContact CE1-CD2 3.65Å; Y36-W51 AromaticContact CE1-CE2 3.4Å; Y36-W51 HydrophobicContact CE1-CE3 4.42Å; Y36-W51 AromaticContact CE1-CG 3.76Å; Y36-W51 HydrophobicContact CE1-CG 3.76Å; Y36-W51 AromaticContact CE1-CZ2 3.98Å; Y36-W51 HydrophobicContact CE1-CZ2 3.98Å; Y36-W51 AromaticContact CE1-NE1 3.35Å; Y36-W51 VanDerWaalsContact CE1-NE1 3.35Å; Y36-M63 HydrophobicContact CE1-CE 3.87Å
37A92.9Very high90.5Very high55 Ų5569.9 Ų69.946%0.45534%0.339SS..Hα-helixtrans-65.6-42.4174.900000111.8A33 Y34 V35 K41A33-A37 WeakPolarHBondContact O-CB 3.38Å; A33-A37 PolarHBondContact O-N 2.83Å; Y34-A37 PolarHBondContact O-N 2.72Å; V35-A37 PolarHBondContact O-N 3.07Å; A37-K41 WeakPolarHBondContact O-CB 3.32Å; A37-K41 PolarHBondContact O-N 3.44Å
38L92.7Very high90.4Very high16 Ų1670.9 Ų70.98%0.08435%0.354CS..Hα-helixtrans-64.6-42.4174.2-72.9179000111.3Y34 V35 K40 K41 M42 L92 L95 V96Y34-L38 HydrophobicContact CD1-CD1 3.98Å; Y34-L38 HydrophobicContact CD1-CG 4.27Å; Y34-L38 HydrophobicContact CE1-CD1 3.72Å; Y34-L38 HydrophobicContact CE1-CD2 4.27Å; Y34-L38 HydrophobicContact CE1-CG 3.98Å; Y34-L38 WeakPolarHBondContact O-CB 3.4Å; Y34-L38 WeakPolarHBondContact O-CG 3.32Å; Y34-L38 PolarHBondContact O-N 3.26Å; V35-L38 PolarHBondContact O-N 3.03Å; L38-K40 PolarHBondContact O-N 3.49Å; L38-K41 PolarHBondContact O-N 3.39Å; L38-K41 VanDerWaalsContact O-N 3.12Å; L38-M42 WeakPolarHBondContact O-CB 3.44Å; L38-M42 WeakPolarHBondContact O-CG 3.44Å; L38-M42 PolarHBondContact O-N 3.12Å; L38-L92 HydrophobicContact CB-CD2 3.6Å; L38-L95 HydrophobicContact CD1-CB 3.77Å; L38-L95 HydrophobicContact CD1-CD1 4.32Å; L38-V96 HydrophobicContact CD1-CG2 3.74Å
39A93.4Very high90.2Very high0 Ų069.9 Ų69.90%037%0.365CS..Hα-helixtrans-55.5-52.1176.800000111.3V35 Y36 K41 M42 M43 Y46 W51 L92V35-A39 WeakPolarHBondContact O-CB 3.26Å; V35-A39 PolarHBondContact O-N 2.85Å; Y36-A39 WeakPolarHBondContact O-CB 3.27Å; Y36-A39 PolarHBondContact O-N 3.4Å; A39-K41 VanDerWaalsContact C-N 3.27Å; A39-K41 PolarHBondContact O-N 2.78Å; A39-M42 PolarHBondContact O-N 3.05Å; A39-M43 HydrophobicContact CB-CE 3.36Å; A39-M43 VanDerWaalsContact O-CB 3.26Å; A39-M43 WeakPolarHBondContact O-CB 3.33Å; A39-M43 PolarHBondContact O-N 3.28Å; A39-Y46 HydrophobicContact CB-CD1 3.98Å; A39-Y46 HydrophobicContact CB-CE1 3.76Å; A39-W51 HydrophobicContact CB-CH2 3.87Å; A39-W51 HydrophobicContact CB-CZ2 3.76Å; A39-L92 HydrophobicContact CB-CD1 4.01Å
40K92.1Very high90Very high164 Ų16471.9 Ų71.971%0.71337%0.369SS*.Hα-helixtrans-64.2-30.8177.7-172.9172.5-176.1173.10113.4Y36 L38Y36-K40 PolarHBondContact O-N 3.33Å; L38-K40 PolarHBondContact O-N 3.49Å
41K92.2Very high90Very high164 Ų16464.8 Ų64.871%0.71334%0.341SS*.Hα-helixtrans-77.4-41179.2-177.4-177.9176.2-171.60112A37 L38 A39A37-K41 WeakPolarHBondContact O-CB 3.32Å; A37-K41 PolarHBondContact O-N 3.44Å; L38-K41 PolarHBondContact O-N 3.39Å; L38-K41 VanDerWaalsContact O-N 3.12Å; A39-K41 VanDerWaalsContact C-N 3.27Å; A39-K41 PolarHBondContact O-N 2.78Å
42M91.8Very high89.9Confident5 Ų567.5 Ų67.53%0.02535%0.354CS..Hα-helixtrans-94.4-20.4-171.3-65.4-177.56100112.8L38 A39 P44 M72 V73 N74 I91 L92 L95L38-M42 WeakPolarHBondContact O-CB 3.44Å; L38-M42 WeakPolarHBondContact O-CG 3.44Å; L38-M42 PolarHBondContact O-N 3.12Å; A39-M42 PolarHBondContact O-N 3.05Å; M42-P44 WeakPolarHBondContact O-CD 3.35Å; M42-M72 HydrophobicContact CB-CG 4.23Å; M42-M72 HydrophobicContact CE-SD 4.04Å; M42-M72 CarbonylContact O-C 3.3Å; M42-M72 VanDerWaalsContact O-CA 3.27Å; M42-M72 WeakPolarHBondContact O-CA 3.2Å; M42-V73 WeakPolarHBondContact CA-O 3.48Å; M42-V73 PolarHBondContact O-N 3.32Å; M42-N74 HydrophobicContact CE-CB 3.8Å; M42-I91 HydrophobicContact CE-CG2 4.21Å; M42-L92 HydrophobicContact SD-CD2 4.12Å; M42-L95 HydrophobicContact CE-CD1 4.09Å; M42-L95 HydrophobicContact SD-CD1 3.62Å
43M92Very high89.8Confident1 Ų166.7 Ų66.71%0.00535%0.35CS..  trans-114.696.3178.5-59.7-178-68.200109A39 E45 Y46 P65 F70 H71 M72 A88 L92A39-M43 HydrophobicContact CB-CE 3.36Å; A39-M43 VanDerWaalsContact O-CB 3.26Å; A39-M43 WeakPolarHBondContact O-CB 3.33Å; A39-M43 PolarHBondContact O-N 3.28Å; M43-E45 PolarHBondContact O-N 3.04Å; M43-Y46 VanDerWaalsContact CB-CB 3.48Å; M43-Y46 HydrophobicContact CB-CG 4.41Å; M43-Y46 HydrophobicContact CE-CD1 4.24Å; M43-Y46 HydrophobicContact CE-CD2 3.79Å; M43-Y46 HydrophobicContact CE-CE2 4.29Å; M43-Y46 HydrophobicContact CE-CG 3.78Å; M43-Y46 VanDerWaalsContact O-CB 3.27Å; M43-Y46 WeakPolarHBondContact O-CB 3.34Å; M43-Y46 PolarHBondContact O-N 3.08Å; M43-P65 HydrophobicContact CE-CG 4.21Å; M43-P65 HydrophobicContact SD-CG 4.42Å; M43-F70 HydrophobicContact CG-CB 4.15Å; M43-F70 HydrophobicContact SD-CB 3.5Å; M43-F70 WeakPolarHBondContact SD-CB 3.48Å; M43-F70 HydrophobicContact SD-CD1 3.64Å; M43-F70 HydrophobicContact SD-CD2 4.25Å; M43-F70 HydrophobicContact SD-CE1 4.44Å; M43-F70 HydrophobicContact SD-CG 3.52Å; M43-F70 VanDerWaalsContact SD-CG 3.52Å; M43-H71 WeakPolarHBondContact CA-O 3.45Å; M43-M72 HydrophobicContact CG-CG 3.57Å; M43-M72 HydrophobicContact SD-CG 4.44Å; M43-A88 HydrophobicContact SD-CB 4.49Å; M43-L92 HydrophobicContact CE-CD1 3.94Å
44P87.7Confident89.7Confident88 Ų8864.4 Ų64.457%0.57133%0.33SS*.THydrogen-bonded Turntrans-60.2-32-175.5-2434.1000113.6M42 Y46 H71 V73M42-P44 WeakPolarHBondContact O-CD 3.35Å; P44-Y46 VanDerWaalsContact C-N 3.33Å; P44-H71 WeakPolarHBondContact CD-O 3.33Å; P44-V73 HydrophobicContact CG-CG2 4.17Å
45E87.6Confident89.5Confident152 Ų15268.3 Ų68.371%0.7134%0.344SS*.THydrogen-bonded Turntrans-88.92.3-179.6-58.7-179104.400112.9M43 E47M43-E45 PolarHBondContact O-N 3.04Å; E45-E47 PolarHBondContact O-N 3.15Å
46Y87.3Confident89.2Confident34 Ų3468.8 Ų68.813%0.13335%0.346CS..  trans-79.1110.5-178176.5-106000111.5A39 M43 P44 G48 W51 P65 F70A39-Y46 HydrophobicContact CB-CD1 3.98Å; A39-Y46 HydrophobicContact CB-CE1 3.76Å; M43-Y46 VanDerWaalsContact CB-CB 3.48Å; M43-Y46 HydrophobicContact CB-CG 4.41Å; M43-Y46 HydrophobicContact CE-CD1 4.24Å; M43-Y46 HydrophobicContact CE-CD2 3.79Å; M43-Y46 HydrophobicContact CE-CE2 4.29Å; M43-Y46 HydrophobicContact CE-CG 3.78Å; M43-Y46 VanDerWaalsContact O-CB 3.27Å; M43-Y46 WeakPolarHBondContact O-CB 3.34Å; M43-Y46 PolarHBondContact O-N 3.08Å; P44-Y46 VanDerWaalsContact C-N 3.33Å; Y46-G48 VanDerWaalsContact C-N 3.35Å; Y46-G48 WeakPolarHBondContact OH-CA 3.46Å; Y46-W51 HydrophobicContact CE2-CZ2 4.35Å; Y46-W51 AromaticContact CZ-CZ2 3.85Å; Y46-W51 AromaticContact CZ-NE1 3.94Å; Y46-W51 WeakPolarHBondContact OH-CZ2 3.21Å; Y46-W51 PolarHBondContact OH-NE1 3.24Å; Y46-P65 HydrophobicContact CE2-CB 4.04Å; Y46-F70 HydrophobicContact CD2-CE1 4.16Å
47E81.7Confident88.8Confident197 Ų19771.9 Ų71.992%0.92137%0.374SS*.  trans-89.71.4179.2-62.4-168.5109.500113.7E45E45-E47 PolarHBondContact O-N 3.15Å
48G82.8Confident88.3Confident41 Ų4173 Ų7342%0.42337%0.373SS..  trans97.5178.3-163.800000111.3Y46Y46-G48 VanDerWaalsContact C-N 3.35Å; Y46-G48 WeakPolarHBondContact OH-CA 3.46Å
49G83.7Confident88Confident54 Ų5472.9 Ų72.956%0.55737%0.374SS*.  trans157.2-172.5177.100000112.8
50F87Confident87.8Confident149 Ų14972.9 Ų72.965%0.65437%0.374SS*.  trans-70154.3170.1-67.8-77.3000110.4D66F50-D66 HydrophobicContact CB-CB 3.97Å; F50-D66 VanDerWaalsContact O-CB 3.3Å; F50-D66 WeakPolarHBondContact O-CB 3.49Å; F50-D66 PolarHBondContact O-N 2.89Å
51W89.4Confident87.7Confident22 Ų2265.2 Ų65.28%0.08334%0.342CS..EExtended strand (participates in β ladder)trans-125.2135.6175.9-75.672.3000109V35 Y36 A39 Y46 F53 M63 M64 P65 L92V35-W51 HydrophobicContact CG1-CE3 4.28Å; V35-W51 HydrophobicContact CG1-CH2 3.56Å; V35-W51 HydrophobicContact CG1-CZ2 4.36Å; V35-W51 HydrophobicContact CG1-CZ3 3.5Å; Y36-W51 HydrophobicContact CD1-CD2 4.24Å; Y36-W51 AromaticContact CD1-CE2 3.58Å; Y36-W51 HydrophobicContact CD1-CH2 4.4Å; Y36-W51 AromaticContact CD1-CZ2 3.68Å; Y36-W51 HydrophobicContact CD1-CZ2 3.68Å; Y36-W51 AromaticContact CD1-NE1 3.7Å; Y36-W51 AromaticContact CE1-CD1 3.56Å; Y36-W51 AromaticContact CE1-CD2 3.65Å; Y36-W51 HydrophobicContact CE1-CD2 3.65Å; Y36-W51 AromaticContact CE1-CE2 3.4Å; Y36-W51 HydrophobicContact CE1-CE3 4.42Å; Y36-W51 AromaticContact CE1-CG 3.76Å; Y36-W51 HydrophobicContact CE1-CG 3.76Å; Y36-W51 AromaticContact CE1-CZ2 3.98Å; Y36-W51 HydrophobicContact CE1-CZ2 3.98Å; Y36-W51 AromaticContact CE1-NE1 3.35Å; Y36-W51 VanDerWaalsContact CE1-NE1 3.35Å; A39-W51 HydrophobicContact CB-CH2 3.87Å; A39-W51 HydrophobicContact CB-CZ2 3.76Å; Y46-W51 HydrophobicContact CE2-CZ2 4.35Å; Y46-W51 AromaticContact CZ-CZ2 3.85Å; Y46-W51 AromaticContact CZ-NE1 3.94Å; Y46-W51 WeakPolarHBondContact OH-CZ2 3.21Å; Y46-W51 PolarHBondContact OH-NE1 3.24Å; W51-F53 HydrophobicContact CB-CE2 4.38Å; W51-F53 HydrophobicContact CB-CZ 4.19Å; W51-F53 VanDerWaalsContact O-CE2 3.31Å; W51-F53 WeakPolarHBondContact O-CE2 3.39Å; W51-M63 HydrophobicContact CD2-CE 4.42Å; W51-M63 HydrophobicContact CE3-CB 3.81Å; W51-M63 HydrophobicContact CE3-CE 4.17Å; W51-M63 HydrophobicContact CZ3-CB 4.16Å; W51-M64 CarbonylContact C-O 3.49Å; W51-M64 VanDerWaalsContact CA-O 3.31Å; W51-M64 WeakPolarHBondContact CA-O 3.39Å; W51-P65 HydrophobicContact CD2-CB 4.42Å; W51-P65 HydrophobicContact CE3-CB 4.49Å; W51-P65 HydrophobicContact CH2-CB 4.16Å; W51-P65 HydrophobicContact CH2-CG 4.35Å; W51-P65 HydrophobicContact CZ2-CB 4.05Å; W51-P65 HydrophobicContact CZ3-CB 4.38Å; W51-P65 HydrophobicContact CZ3-CG 4.48Å; W51-L92 HydrophobicContact CH2-CD1 3.81Å; W51-L92 HydrophobicContact CZ3-CD1 4.34Å
52H89.1Confident87.8Confident56 Ų5657.7 Ų57.726%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-94.9135.1173.1-59.3-76000109.3I54 M63 M64 D66H52-I54 HydrophobicContact CB-CD1 3.91Å; H52-M63 WeakPolarHBondContact O-CA 2.85Å; H52-M64 HydrophobicContact CB-CE 3.62Å; H52-M64 HydrophobicContact CB-CG 3.72Å; H52-M64 PolarHBondContact N-O 3.43Å; H52-M64 PolarHBondContact O-N 3.12Å; H52-D66 IonicContact CD2-OD1 3.08Å; H52-D66 IonicContact CE1-OD1 3.88Å; H52-D66 IonicContact NE2-OD1 2.76Å; H52-D66 PolarHBondContact NE2-OD1 3.5Å
53F90.5Very high87.8Confident7 Ų757.4 Ų57.43%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-105.6102.9-178.9-60.7-85.3000108.8V11 R16 F19 L20 W51 M63V11-F53 WeakPolarHBondContact CB-O 3.23Å; V11-F53 HydrophobicContact CG1-CB 3.94Å; V11-F53 WeakPolarHBondContact CG1-O 3.31Å; V11-F53 WeakPolarHBondContact CG2-O 3.36Å; R16-F53 HydrophobicContact CB-CD2 4Å; R16-F53 HydrophobicContact CB-CE1 4.42Å; R16-F53 HydrophobicContact CB-CE2 3.68Å; R16-F53 HydrophobicContact CB-CZ 3.94Å; R16-F53 HydrophobicContact CG-CD1 4.46Å; R16-F53 HydrophobicContact CG-CD2 4.32Å; R16-F53 HydrophobicContact CG-CE1 3.77Å; R16-F53 HydrophobicContact CG-CE2 3.64Å; R16-F53 HydrophobicContact CG-CZ 3.34Å; F19-F53 HydrophobicContact CD1-CB 3.73Å; F19-F53 AromaticContact CD1-CD1 3.57Å; F19-F53 HydrophobicContact CD1-CD1 3.57Å; F19-F53 HydrophobicContact CD1-CG 4.04Å; F19-F53 HydrophobicContact CD2-CB 4.49Å; F19-F53 HydrophobicContact CE1-CB 3.91Å; F19-F53 AromaticContact CE1-CD1 3.88Å; F19-F53 HydrophobicContact CE1-CD1 3.88Å; F19-F53 HydrophobicContact CE1-CG 4.39Å; F19-F53 HydrophobicContact CG-CB 4.02Å; F19-F53 HydrophobicContact CG-CD1 4.49Å; F19-F53 HydrophobicContact CZ-CB 4.37Å; L20-F53 HydrophobicContact CD1-CE1 4.18Å; L20-F53 HydrophobicContact CD2-CD1 4.32Å; L20-F53 HydrophobicContact CD2-CE1 3.92Å; L20-F53 HydrophobicContact CG-CD1 4.44Å; L20-F53 HydrophobicContact CG-CE1 4.05Å; W51-F53 HydrophobicContact CB-CE2 4.38Å; W51-F53 HydrophobicContact CB-CZ 4.19Å; W51-F53 VanDerWaalsContact O-CE2 3.31Å; W51-F53 WeakPolarHBondContact O-CE2 3.39Å; F53-M63 HydrophobicContact CD1-CE 4.43Å; F53-M63 HydrophobicContact CD1-CG 3.73Å; F53-M63 HydrophobicContact CD1-SD 4.38Å; F53-M63 HydrophobicContact CE1-CE 3.55Å; F53-M63 HydrophobicContact CE1-CG 3.82Å; F53-M63 HydrophobicContact CE1-SD 3.93Å; F53-M63 HydrophobicContact CZ-CE 4.14Å
54I89.3Confident87.7Confident7 Ų758.6 Ų58.64%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-99.3121.4-171.9-52.4-41.2000110.2L9 F19 H52 G61 Y62 M64L9-I54 HydrophobicContact CB-CD1 3.61Å; L9-I54 HydrophobicContact CD1-CB 4.48Å; L9-I54 HydrophobicContact CD1-CD1 3.32Å; L9-I54 HydrophobicContact CD1-CG1 3.86Å; L9-I54 HydrophobicContact CD1-CG2 3.87Å; L9-I54 HydrophobicContact CG-CD1 3.99Å; F19-I54 WeakPolarHBondContact CZ-O 3.26Å; H52-I54 HydrophobicContact CB-CD1 3.91Å; I54-G61 CarbonylContact O-C 3.42Å; I54-G61 WeakPolarHBondContact O-CA 3.34Å; I54-Y62 HydrophobicContact CB-CD1 4.29Å; I54-Y62 HydrophobicContact CB-CD2 4.34Å; I54-Y62 HydrophobicContact CB-CE1 3.87Å; I54-Y62 HydrophobicContact CB-CE2 3.96Å; I54-Y62 HydrophobicContact CB-CG 4.49Å; I54-Y62 HydrophobicContact CG1-CD2 4.47Å; I54-Y62 HydrophobicContact CG1-CE2 3.89Å; I54-Y62 HydrophobicContact CG2-CE1 3.79Å; I54-Y62 HydrophobicContact CG2-CE2 4.49Å; I54-Y62 PolarHBondContact N-O 2.9Å; I54-Y62 PolarHBondContact O-N 2.95Å; I54-M64 HydrophobicContact CD1-CE 3.98Å; I54-M64 HydrophobicContact CG1-CE 4.11Å; I54-M64 HydrophobicContact CG1-CG 4.31Å; I54-M64 HydrophobicContact CG1-SD 4.1Å
55R89.1Confident87.9Confident161 Ų16154.4 Ų54.461%0.60829%0.286SS*.EExtended strand (participates in β ladder)trans-95.1127.8174.9-167.6173.3-175.7172.20.2110.7F19F19-R55 HydrophobicContact CE2-CB 4.08Å
56L88.5Confident87.9Confident11 Ų1151.4 Ų51.46%0.05828%0.275CS..PPolyproline II helixtrans-83.2146.6179.4-67.2173.7000111.3D58 G59 G60 Y62 L123 H126L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3Å; L56-G59 WeakPolarHBondContact CB-O 3.22Å; L56-G59 WeakPolarHBondContact O-CA 3.48Å; L56-G59 PolarHBondContact O-N 3.35Å; L56-G60 PolarHBondContact N-O 3.24Å; L56-G60 VanDerWaalsContact N-O 3.12Å; L56-Y62 HydrophobicContact CD2-CD1 4.45Å; L56-Y62 HydrophobicContact CD2-CE1 3.97Å; L56-Y62 HydrophobicContact CG-CD1 4.47Å; L56-Y62 HydrophobicContact CG-CE1 4.45Å; L56-L123 HydrophobicContact CD1-CD1 4.22Å; L56-H126 HydrophobicContact CD1-CB 3.74Å; L56-H126 HydrophobicContact CD2-CB 4Å; L56-H126 VanDerWaalsContact CD2-CG 3.44Å; L56-H126 WeakPolarHBondContact CD2-ND1 3.33Å
57P83.2Confident88Confident126 Ų12651.8 Ų51.882%0.81829%0.289SS*.THydrogen-bonded Turntrans-64.2-31.5179.325.3-33.8000112.6G59P57-G59 PolarHBondContact O-N 3Å
58D83.5Confident88.3Confident79 Ų7948.8 Ų48.842%0.42228%0.28SS..THydrogen-bonded Turntrans-78.84.3175.3-67.4-42.6000113.3L56 Q122 R125L56-D58 VanDerWaalsContact C-N 3.26Å; L56-D58 PolarHBondContact O-N 3Å; D58-Q122 PolarHBondContact O-NE2 2.98Å; D58-R125 IonicContact OD1-CZ 3.12Å; D58-R125 IonicContact OD1-NE 3.63Å; D58-R125 IonicContact OD1-NH2 3.4Å; D58-R125 PolarHBondContact OD1-NH2 3.16Å; D58-R125 IonicContact OD2-CZ 2.9Å; D58-R125 IonicContact OD2-NE 2.73Å; D58-R125 PolarHBondContact OD2-NE 2.66Å; D58-R125 IonicContact OD2-NH2 3.82Å; D58-R125 PolarHBondContact OD2-NH2 3.38Å
59G86.1Confident88.7Confident12 Ų1252.5 Ų52.512%0.12428%0.281CS..SBendtrans87.6168.2-172.400000113.1L56 P57 Q122L56-G59 WeakPolarHBondContact CB-O 3.22Å; L56-G59 WeakPolarHBondContact O-CA 3.48Å; L56-G59 PolarHBondContact O-N 3.35Å; P57-G59 PolarHBondContact O-N 3Å; G59-Q122 VanDerWaalsContact C-CD 3.43Å; G59-Q122 PolarHBondContact O-OE1 3Å
60G88.6Confident89.1Confident0 Ų051.2 Ų51.20%026%0.26CS..  trans73.7-160.1-169.300000111.2Y22 L56Y22-G60 PolarHBondContact OH-N 2.9Å; L56-G60 PolarHBondContact N-O 3.24Å; L56-G60 VanDerWaalsContact N-O 3.12Å
61G91.4Very high89.4Confident3 Ų346.5 Ų46.53%0.03124%0.24CC..EExtended strand (participates in β ladder)trans167.6-179.8-174.500000112L23 I54L23-G61 VanDerWaalsContact CD1-O 3.31Å; L23-G61 WeakPolarHBondContact CD1-O 3.23Å; I54-G61 CarbonylContact O-C 3.42Å; I54-G61 WeakPolarHBondContact O-CA 3.34Å
62Y92.7Very high89.6Confident6 Ų645.5 Ų45.52%0.02424%0.236CC..EExtended strand (participates in β ladder)trans-145.5162.5175.958.7-84.4000110.9I54 L56 M64 D86 I90 T93 L123 H126I54-Y62 HydrophobicContact CB-CD1 4.29Å; I54-Y62 HydrophobicContact CB-CD2 4.34Å; I54-Y62 HydrophobicContact CB-CE1 3.87Å; I54-Y62 HydrophobicContact CB-CE2 3.96Å; I54-Y62 HydrophobicContact CB-CG 4.49Å; I54-Y62 HydrophobicContact CG1-CD2 4.47Å; I54-Y62 HydrophobicContact CG1-CE2 3.89Å; I54-Y62 HydrophobicContact CG2-CE1 3.79Å; I54-Y62 HydrophobicContact CG2-CE2 4.49Å; I54-Y62 PolarHBondContact N-O 2.9Å; I54-Y62 PolarHBondContact O-N 2.95Å; L56-Y62 HydrophobicContact CD2-CD1 4.45Å; L56-Y62 HydrophobicContact CD2-CE1 3.97Å; L56-Y62 HydrophobicContact CG-CD1 4.47Å; L56-Y62 HydrophobicContact CG-CE1 4.45Å; Y62-M64 HydrophobicContact CD2-CB 4.38Å; Y62-M64 HydrophobicContact CE2-CB 4.33Å; Y62-M64 HydrophobicContact CE2-SD 4.23Å; Y62-D86 PolarHBondContact OH-OD1 3.45Å; Y62-D86 PolarHBondContact OH-OD2 3.08Å; Y62-I90 HydrophobicContact CD1-CG1 3.99Å; Y62-I90 HydrophobicContact CD2-CG1 3.76Å; Y62-I90 HydrophobicContact CE1-CD1 4.39Å; Y62-I90 HydrophobicContact CE1-CG1 4.02Å; Y62-I90 HydrophobicContact CE2-CD1 4.38Å; Y62-I90 HydrophobicContact CE2-CG1 3.77Å; Y62-I90 HydrophobicContact CG-CG1 3.87Å; Y62-T93 WeakPolarHBondContact CB-OG1 3.49Å; Y62-L123 HydrophobicContact CD1-CD1 3.96Å; Y62-L123 HydrophobicContact CG-CD1 4.37Å; Y62-H126 AromaticContact CE1-NE2 3.89Å
63M91.7Very high89.7Confident0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-104.9131.5173.8-62.5175.254.800108.4F19 L20 F24 E32 V35 Y36 W51 H52 F53 G89 T93F19-M63 HydrophobicContact CE1-CG 4.34Å; L20-M63 HydrophobicContact CD2-CE 4.36Å; L20-M63 HydrophobicContact CD2-CG 4.39Å; L20-M63 HydrophobicContact CD2-SD 3.47Å; L20-M63 WeakPolarHBondContact CD2-SD 3.3Å; F24-M63 HydrophobicContact CE2-SD 3.88Å; F24-M63 HydrophobicContact CZ-SD 4.44Å; E32-M63 HydrophobicContact CG-CE 4.32Å; V35-M63 HydrophobicContact CG1-CE 4.3Å; V35-M63 HydrophobicContact CG2-SD 4.28Å; Y36-M63 HydrophobicContact CE1-CE 3.87Å; W51-M63 HydrophobicContact CD2-CE 4.42Å; W51-M63 HydrophobicContact CE3-CB 3.81Å; W51-M63 HydrophobicContact CE3-CE 4.17Å; W51-M63 HydrophobicContact CZ3-CB 4.16Å; H52-M63 WeakPolarHBondContact O-CA 2.85Å; F53-M63 HydrophobicContact CD1-CE 4.43Å; F53-M63 HydrophobicContact CD1-CG 3.73Å; F53-M63 HydrophobicContact CD1-SD 4.38Å; F53-M63 HydrophobicContact CE1-CE 3.55Å; F53-M63 HydrophobicContact CE1-CG 3.82Å; F53-M63 HydrophobicContact CE1-SD 3.93Å; F53-M63 HydrophobicContact CZ-CE 4.14Å; M63-G89 CarbonylContact O-C 3.53Å; M63-G89 VanDerWaalsContact O-C 3.3Å; M63-G89 WeakPolarHBondContact O-CA 3.3Å; M63-T93 PolarHBondContact N-OG1 3.37Å; M63-T93 PolarHBondContact O-OG1 3.24Å
64M91.4Very high89.5Confident25 Ų2545.7 Ų45.712%0.12324%0.241CC..EExtended strand (participates in β ladder)trans-124.1141.7174.167.1-179.7-168.600112W51 H52 I54 Y62 A85 D86W51-M64 CarbonylContact C-O 3.49Å; W51-M64 VanDerWaalsContact CA-O 3.31Å; W51-M64 WeakPolarHBondContact CA-O 3.39Å; H52-M64 HydrophobicContact CB-CE 3.62Å; H52-M64 HydrophobicContact CB-CG 3.72Å; H52-M64 PolarHBondContact N-O 3.43Å; H52-M64 PolarHBondContact O-N 3.12Å; I54-M64 HydrophobicContact CD1-CE 3.98Å; I54-M64 HydrophobicContact CG1-CE 4.11Å; I54-M64 HydrophobicContact CG1-CG 4.31Å; I54-M64 HydrophobicContact CG1-SD 4.1Å; Y62-M64 HydrophobicContact CD2-CB 4.38Å; Y62-M64 HydrophobicContact CE2-CB 4.33Å; Y62-M64 HydrophobicContact CE2-SD 4.23Å; M64-A85 WeakPolarHBondContact CB-O 3.29Å; M64-D86 HydrophobicContact SD-CB 4.35Å
65P90.9Very high89Confident0 Ų049 Ų490%028%0.277CS..EExtended strand (participates in β ladder)trans-67.4147.4173.829.4-34.4000110.6M43 Y46 W51 G67 F70 A85 A88M43-P65 HydrophobicContact CE-CG 4.21Å; M43-P65 HydrophobicContact SD-CG 4.42Å; Y46-P65 HydrophobicContact CE2-CB 4.04Å; W51-P65 HydrophobicContact CD2-CB 4.42Å; W51-P65 HydrophobicContact CE3-CB 4.49Å; W51-P65 HydrophobicContact CH2-CB 4.16Å; W51-P65 HydrophobicContact CH2-CG 4.35Å; W51-P65 HydrophobicContact CZ2-CB 4.05Å; W51-P65 HydrophobicContact CZ3-CB 4.38Å; W51-P65 HydrophobicContact CZ3-CG 4.48Å; P65-G67 PolarHBondContact O-N 2.96Å; P65-F70 HydrophobicContact CB-CE1 4.48Å; P65-F70 HydrophobicContact CB-CE2 3.97Å; P65-F70 HydrophobicContact CB-CZ 3.78Å; P65-F70 HydrophobicContact CG-CD2 3.93Å; P65-F70 HydrophobicContact CG-CE1 4.49Å; P65-F70 HydrophobicContact CG-CE2 3.47Å; P65-F70 VanDerWaalsContact CG-CE2 3.47Å; P65-F70 HydrophobicContact CG-CZ 3.78Å; P65-A85 WeakPolarHBondContact O-CB 3.43Å; P65-A88 HydrophobicContact CG-CB 4.34Å
66D89Confident88.6Confident89 Ų8945.5 Ų45.548%0.47628%0.282SS..SBendtrans-70.2124.2171.2-174.962.2000110.5F50 H52 F70F50-D66 HydrophobicContact CB-CB 3.97Å; F50-D66 VanDerWaalsContact O-CB 3.3Å; F50-D66 WeakPolarHBondContact O-CB 3.49Å; F50-D66 PolarHBondContact O-N 2.89Å; H52-D66 IonicContact CD2-OD1 3.08Å; H52-D66 IonicContact CE1-OD1 3.88Å; H52-D66 IonicContact NE2-OD1 2.76Å; H52-D66 PolarHBondContact NE2-OD1 3.5Å; D66-F70 WeakPolarHBondContact O-CZ 3.4Å
67G87.5Confident88.3Confident42 Ų4246.7 Ų46.743%0.43329%0.289SS..SBendtrans160.9177.4-177.500000111.9P65 A85P65-G67 PolarHBondContact O-N 2.96Å; G67-A85 VanDerWaalsContact O-CB 3.22Å; G67-A85 WeakPolarHBondContact O-CB 3.42Å
68D88.3Confident88.3Confident135 Ų13552.4 Ų52.472%0.72229%0.294SS*.SBendtrans-92.1-62.8176.2-17820.4000110.7S84 A85D68-S84 WeakPolarHBondContact O-CA 3.23Å; D68-A85 PolarHBondContact O-N 3.22Å
69R91.8Very high88.5Confident118 Ų11849 Ų4945%0.44528%0.276SS..EExtended strand (participates in β ladder)trans-139146.5-180-54.9-173.769.2742.1111T82 V83 E132R69-T82 HydrophobicContact CB-CG2 3.72Å; R69-T82 PolarHBondContact NH2-O 3.37Å; R69-V83 CarbonylContact C-O 3.52Å; R69-V83 WeakPolarHBondContact CA-O 3.28Å; R69-V83 WeakPolarHBondContact CB-O 3.33Å; R69-E132 IonicContact CZ-OE1 2.66Å; R69-E132 IonicContact NH1-OE1 3.68Å; R69-E132 PolarHBondContact NH1-OE1 3.37Å; R69-E132 IonicContact NH2-OE1 3.54Å; R69-E132 PolarHBondContact NH2-OE1 3.05Å
70F92.4Very high88.8Confident28 Ų2853.2 Ų53.212%0.12330%0.295CS..EExtended strand (participates in β ladder)trans-123.1132178.9-65.8-84.1000110.3M43 Y46 P65 D66 M72 T82 V83 A85 A88M43-F70 HydrophobicContact CG-CB 4.15Å; M43-F70 HydrophobicContact SD-CB 3.5Å; M43-F70 WeakPolarHBondContact SD-CB 3.48Å; M43-F70 HydrophobicContact SD-CD1 3.64Å; M43-F70 HydrophobicContact SD-CD2 4.25Å; M43-F70 HydrophobicContact SD-CE1 4.44Å; M43-F70 HydrophobicContact SD-CG 3.52Å; M43-F70 VanDerWaalsContact SD-CG 3.52Å; Y46-F70 HydrophobicContact CD2-CE1 4.16Å; P65-F70 HydrophobicContact CB-CE1 4.48Å; P65-F70 HydrophobicContact CB-CE2 3.97Å; P65-F70 HydrophobicContact CB-CZ 3.78Å; P65-F70 HydrophobicContact CG-CD2 3.93Å; P65-F70 HydrophobicContact CG-CE1 4.49Å; P65-F70 HydrophobicContact CG-CE2 3.47Å; P65-F70 VanDerWaalsContact CG-CE2 3.47Å; P65-F70 HydrophobicContact CG-CZ 3.78Å; D66-F70 WeakPolarHBondContact O-CZ 3.4Å; F70-M72 PolarHBondContact O-N 3.45Å; F70-T82 WeakPolarHBondContact O-CA 3.37Å; F70-V83 PolarHBondContact N-O 2.87Å; F70-V83 PolarHBondContact O-N 3.04Å; F70-A85 HydrophobicContact CD2-CB 4.24Å; F70-A85 HydrophobicContact CE2-CB 3.8Å; F70-A88 HydrophobicContact CD2-CB 4.23Å
71H92.9Very high89Confident50 Ų5059.7 Ų59.723%0.23132%0.32CS..EExtended strand (participates in β ladder)trans-70111.9165.5179.4-145000108.6M43 P44 V73 D80M43-H71 WeakPolarHBondContact CA-O 3.45Å; P44-H71 WeakPolarHBondContact CD-O 3.33Å; H71-V73 VanDerWaalsContact CE1-CG2 3.47Å; H71-V73 WeakPolarHBondContact CE1-CG2 3.3Å; H71-V73 WeakPolarHBondContact NE2-CG2 3.44Å; H71-D80 IonicContact CD2-OD1 2.87Å; H71-D80 IonicContact CE1-OD1 3.21Å; H71-D80 IonicContact NE2-OD1 2.81Å; H71-D80 PolarHBondContact NE2-OD1 3.33Å
72M92.9Very high89.1Confident0 Ų063.1 Ų63.10%034%0.34CS..EExtended strand (participates in β ladder)trans-108.5131.7176.8-105.5-168.3-8000112.1M42 M43 F70 F79 D80 R81 V83 A88 I91M42-M72 HydrophobicContact CB-CG 4.23Å; M42-M72 HydrophobicContact CE-SD 4.04Å; M42-M72 CarbonylContact O-C 3.3Å; M42-M72 VanDerWaalsContact O-CA 3.27Å; M42-M72 WeakPolarHBondContact O-CA 3.2Å; M43-M72 HydrophobicContact CG-CG 3.57Å; M43-M72 HydrophobicContact SD-CG 4.44Å; F70-M72 PolarHBondContact O-N 3.45Å; M72-F79 HydrophobicContact CB-CD1 4.3Å; M72-F79 HydrophobicContact CB-CE1 3.83Å; M72-D80 WeakPolarHBondContact O-CA 3.33Å; M72-R81 PolarHBondContact N-O 2.8Å; M72-R81 PolarHBondContact O-N 3.48Å; M72-V83 HydrophobicContact CE-CG2 3.1Å; M72-A88 HydrophobicContact CE-CB 3.32Å; M72-I91 HydrophobicContact CE-CD1 3.93Å; M72-I91 HydrophobicContact SD-CD1 4.35Å; M72-I91 HydrophobicContact SD-CG2 4.22Å
73V92.1Very high89.2Confident47 Ų4762.9 Ų62.929%0.28534%0.339SS..EExtended strand (participates in β ladder)trans-125117.6177.6-174.10000108.7M42 P44 H71 F79M42-V73 WeakPolarHBondContact CA-O 3.48Å; M42-V73 PolarHBondContact O-N 3.32Å; P44-V73 HydrophobicContact CG-CG2 4.17Å; H71-V73 VanDerWaalsContact CE1-CG2 3.47Å; H71-V73 WeakPolarHBondContact CE1-CG2 3.3Å; H71-V73 WeakPolarHBondContact NE2-CG2 3.44Å; V73-F79 CarbonylContact C-O 3.48Å; V73-F79 WeakPolarHBondContact CA-O 3.4Å
74N86.6Confident89.3Confident21 Ų2163.8 Ų63.811%0.11235%0.346CS..EExtended strand (participates in β ladder)trans-108.3109.1170-173.74.6000109.3M42 A76 N77 W78 F79 A139M42-N74 HydrophobicContact CE-CB 3.8Å; N74-A76 PolarHBondContact O-N 3.31Å; N74-A76 VanDerWaalsContact O-N 3.13Å; N74-A76 WeakPolarHBondContact OD1-CB 3.47Å; N74-A76 PolarHBondContact OD1-N 3.21Å; N74-A76 VanDerWaalsContact OD1-N 3.12Å; N74-N77 VanDerWaalsContact CB-OD1 3.26Å; N74-N77 WeakPolarHBondContact CB-OD1 3.35Å; N74-N77 PolarHBondContact ND2-ND2 3Å; N74-N77 PolarHBondContact ND2-OD1 3.43Å; N74-N77 PolarHBondContact O-N 2.9Å; N74-N77 PolarHBondContact O-OD1 3.28Å; N74-W78 PolarHBondContact O-N 2.82Å; N74-F79 HydrophobicContact CB-CB 3.94Å; N74-F79 PolarHBondContact N-O 3.42Å; N74-F79 PolarHBondContact O-N 2.84Å; N74-A139 PolarHBondContact ND2-O 3.34Å
75G78Confident89.3Confident75 Ų7563 Ų6377%0.77334%0.343SS*.THydrogen-bonded Turntrans-65.7-11.9178.300000114.4
76A80.2Confident89.4Confident88 Ų8864.8 Ų64.873%0.72735%0.353SS*.THydrogen-bonded Turntrans-79.8-33.8179.600000113.4N74N74-A76 PolarHBondContact O-N 3.31Å; N74-A76 VanDerWaalsContact O-N 3.13Å; N74-A76 WeakPolarHBondContact OD1-CB 3.47Å; N74-A76 PolarHBondContact OD1-N 3.21Å; N74-A76 VanDerWaalsContact OD1-N 3.12Å
77N83.2Confident89.6Confident37 Ų3760.5 Ų60.520%0.19833%0.33CS..THydrogen-bonded Turntrans-129.614.1-170.169.40.3000113.5N74 F79 A138 A139 D141N74-N77 VanDerWaalsContact CB-OD1 3.26Å; N74-N77 WeakPolarHBondContact CB-OD1 3.35Å; N74-N77 PolarHBondContact ND2-ND2 3Å; N74-N77 PolarHBondContact ND2-OD1 3.43Å; N74-N77 PolarHBondContact O-N 2.9Å; N74-N77 PolarHBondContact O-OD1 3.28Å; N77-F79 PolarHBondContact O-N 3.02Å; N77-F79 VanDerWaalsContact O-N 3.11Å; N77-F79 WeakPolarHBondContact OD1-CB 3.42Å; N77-F79 PolarHBondContact OD1-N 3.45Å; N77-A138 PolarHBondContact ND2-O 2.98Å; N77-A139 PolarHBondContact ND2-O 2.93Å; N77-D141 WeakPolarHBondContact CB-OXT 3.37Å; N77-D141 PolarHBondContact ND2-OXT 3.05Å
78W83.4Confident90Very high245 Ų24558.5 Ų58.593%0.92831%0.309SS*.THydrogen-bonded Turntrans57.920-176.3-57.687.8000114.2N74 D80N74-W78 PolarHBondContact O-N 2.82Å; W78-D80 PolarHBondContact O-N 2.73Å
79F87.3Confident90.2Very high8 Ų852.1 Ų52.14%0.03528%0.275CS..EExtended strand (participates in β ladder)trans-66.2119.7172-176.2-92.8000108.8M72 V73 N74 N77 R81 V83 A135 A138 A139M72-F79 HydrophobicContact CB-CD1 4.3Å; M72-F79 HydrophobicContact CB-CE1 3.83Å; V73-F79 CarbonylContact C-O 3.48Å; V73-F79 WeakPolarHBondContact CA-O 3.4Å; N74-F79 HydrophobicContact CB-CB 3.94Å; N74-F79 PolarHBondContact N-O 3.42Å; N74-F79 PolarHBondContact O-N 2.84Å; N77-F79 PolarHBondContact O-N 3.02Å; N77-F79 VanDerWaalsContact O-N 3.11Å; N77-F79 WeakPolarHBondContact OD1-CB 3.42Å; N77-F79 PolarHBondContact OD1-N 3.45Å; F79-R81 HydrophobicContact CE1-CB 4.1Å; F79-R81 HydrophobicContact CE2-CB 4.22Å; F79-R81 HydrophobicContact CE2-CG 4.2Å; F79-R81 HydrophobicContact CZ-CB 3.8Å; F79-R81 HydrophobicContact CZ-CG 4.28Å; F79-V83 HydrophobicContact CZ-CG1 3.97Å; F79-A135 WeakPolarHBondContact CE2-O 3.42Å; F79-A138 HydrophobicContact CD2-CB 3.92Å; F79-A138 HydrophobicContact CE2-CB 4.03Å; F79-A139 HydrophobicContact CD1-CB 4.15Å; F79-A139 HydrophobicContact CD2-CB 3.91Å; F79-A139 HydrophobicContact CE1-CB 4.05Å; F79-A139 HydrophobicContact CE2-CB 3.81Å; F79-A139 HydrophobicContact CG-CB 4.07Å; F79-A139 HydrophobicContact CZ-CB 3.86Å
80D92.1Very high90.4Very high100 Ų10046.5 Ų46.554%0.53525%0.254SS..EExtended strand (participates in β ladder)trans-14290.6176.7-177.7-15.4000107.3H71 M72 W78H71-D80 IonicContact CD2-OD1 2.87Å; H71-D80 IonicContact CE1-OD1 3.21Å; H71-D80 IonicContact NE2-OD1 2.81Å; H71-D80 PolarHBondContact NE2-OD1 3.33Å; M72-D80 WeakPolarHBondContact O-CA 3.33Å; W78-D80 PolarHBondContact O-N 2.73Å
81R92.9Very high90.5Very high136 Ų13645.1 Ų45.151%0.51325%0.248SC..EExtended strand (participates in β ladder)trans-148.9147.3-178-61.8-173.2-176.8-175.63.7111.6M72 F79M72-R81 PolarHBondContact N-O 2.8Å; M72-R81 PolarHBondContact O-N 3.48Å; F79-R81 HydrophobicContact CE1-CB 4.1Å; F79-R81 HydrophobicContact CE2-CB 4.22Å; F79-R81 HydrophobicContact CE2-CG 4.2Å; F79-R81 HydrophobicContact CZ-CB 3.8Å; F79-R81 HydrophobicContact CZ-CG 4.28Å
82T94.1Very high90.6Very high75 Ų7542.8 Ų42.846%0.4624%0.237SC..EExtended strand (participates in β ladder)trans-84.7118.5167.8-52.60000109.9R69 F70R69-T82 HydrophobicContact CB-CG2 3.72Å; R69-T82 PolarHBondContact NH2-O 3.37Å; F70-T82 WeakPolarHBondContact O-CA 3.37Å
83V94.1Very high90.7Very high1 Ų142.8 Ų42.81%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-119.7164.5178.2-590000110.8R69 F70 M72 F79 A87 A88 A135R69-V83 CarbonylContact C-O 3.52Å; R69-V83 WeakPolarHBondContact CA-O 3.28Å; R69-V83 WeakPolarHBondContact CB-O 3.33Å; F70-V83 PolarHBondContact N-O 2.87Å; F70-V83 PolarHBondContact O-N 3.04Å; M72-V83 HydrophobicContact CE-CG2 3.1Å; F79-V83 HydrophobicContact CZ-CG1 3.97Å; V83-A87 HydrophobicContact CB-CB 3.93Å; V83-A87 HydrophobicContact CG2-CB 4.16Å; V83-A88 HydrophobicContact CG2-CB 4.26Å; V83-A135 HydrophobicContact CG1-CB 3.91Å
84S94.1Very high90.8Very high20 Ų2040.7 Ų40.714%0.1422%0.224CC..EExtended strand (participates in β ladder)trans-64.8161173.8660000112.6D68 D86 A87 A88 E132D68-S84 WeakPolarHBondContact O-CA 3.23Å; S84-D86 PolarHBondContact O-N 2.98Å; S84-D86 PolarHBondContact OG-N 3.38Å; S84-A87 PolarHBondContact O-N 3.25Å; S84-A87 PolarHBondContact OG-N 3.03Å; S84-A88 WeakPolarHBondContact O-CB 3.31Å; S84-A88 PolarHBondContact O-N 3.24Å; S84-E132 WeakPolarHBondContact CB-OE2 3.35Å; S84-E132 PolarHBondContact N-OE1 3.37Å; S84-E132 PolarHBondContact N-OE2 2.99Å; S84-E132 VanDerWaalsContact N-OE2 3.14Å; S84-E132 PolarHBondContact OG-OE2 3.3Å
85A92.1Very high91.2Very high8 Ų841.8 Ų41.87%0.06623%0.23CC..Hα-helixtrans-51.7-39.1168.500000112.7M64 P65 G67 D68 F70 A88 G89M64-A85 WeakPolarHBondContact CB-O 3.29Å; P65-A85 WeakPolarHBondContact O-CB 3.43Å; G67-A85 VanDerWaalsContact O-CB 3.22Å; G67-A85 WeakPolarHBondContact O-CB 3.42Å; D68-A85 PolarHBondContact O-N 3.22Å; F70-A85 HydrophobicContact CD2-CB 4.24Å; F70-A85 HydrophobicContact CE2-CB 3.8Å; A85-A88 WeakPolarHBondContact O-CB 3.39Å; A85-A88 PolarHBondContact O-N 2.85Å; A85-G89 PolarHBondContact O-N 2.94Å
86D92Very high92Very high37 Ų3738.2 Ų38.220%0.19819%0.193CC..Hα-helixtrans-62.9-53.5179.5-162.771.8000111.4Y62 M64 S84 A88 G89 I90 H130Y62-D86 PolarHBondContact OH-OD1 3.45Å; Y62-D86 PolarHBondContact OH-OD2 3.08Å; M64-D86 HydrophobicContact SD-CB 4.35Å; S84-D86 PolarHBondContact O-N 2.98Å; S84-D86 PolarHBondContact OG-N 3.38Å; D86-A88 VanDerWaalsContact C-N 3.26Å; D86-A88 PolarHBondContact O-N 2.54Å; D86-G89 PolarHBondContact O-N 3.36Å; D86-I90 VanDerWaalsContact O-CG1 3.31Å; D86-I90 WeakPolarHBondContact O-CG1 3.49Å; D86-I90 PolarHBondContact O-N 2.79Å; D86-H130 IonicContact OD2-CD2 2.9Å; D86-H130 PolarHBondContact OD2-CD2 3.19Å; D86-H130 IonicContact OD2-NE2 3.62Å; D86-H130 PolarHBondContact OD2-NE2 3.34Å
87A94.5Very high92.6Very high0 Ų034 Ų340%016%0.159CC..Hα-helixtrans-60.4-38.1175.500000111.9V83 S84 I90 I91 E132 I136V83-A87 HydrophobicContact CB-CB 3.93Å; V83-A87 HydrophobicContact CG2-CB 4.16Å; S84-A87 PolarHBondContact O-N 3.25Å; S84-A87 PolarHBondContact OG-N 3.03Å; A87-I90 PolarHBondContact O-N 2.82Å; A87-I91 WeakPolarHBondContact O-CD1 3.5Å; A87-I91 WeakPolarHBondContact O-CG1 3.26Å; A87-I91 PolarHBondContact O-N 3.05Å; A87-E132 HydrophobicContact CB-CB 4.24Å; A87-I136 HydrophobicContact CB-CD1 4.1Å; A87-I136 HydrophobicContact CB-CG1 3.98Å
88A94.5Very high93Very high0 Ų035.2 Ų35.20%017%0.165CC..Hα-helixtrans-59.2-48.7175.500000113M43 P65 F70 M72 V83 S84 A85 D86 I90 I91 L92M43-A88 HydrophobicContact SD-CB 4.49Å; P65-A88 HydrophobicContact CG-CB 4.34Å; F70-A88 HydrophobicContact CD2-CB 4.23Å; M72-A88 HydrophobicContact CE-CB 3.32Å; V83-A88 HydrophobicContact CG2-CB 4.26Å; S84-A88 WeakPolarHBondContact O-CB 3.31Å; S84-A88 PolarHBondContact O-N 3.24Å; A85-A88 WeakPolarHBondContact O-CB 3.39Å; A85-A88 PolarHBondContact O-N 2.85Å; D86-A88 VanDerWaalsContact C-N 3.26Å; D86-A88 PolarHBondContact O-N 2.54Å; A88-I90 VanDerWaalsContact C-N 3.33Å; A88-I90 PolarHBondContact O-N 3.44Å; A88-I91 PolarHBondContact O-N 3.29Å; A88-L92 WeakPolarHBondContact O-CB 3.47Å; A88-L92 VanDerWaalsContact O-CG 3.23Å; A88-L92 WeakPolarHBondContact O-CG 3.34Å; A88-L92 PolarHBondContact O-N 3.29Å
89G94Very high93.4Very high0 Ų029.2 Ų29.20%014%0.142CC..Hα-helixtrans-62.6-41.1177.700000113.3M63 A85 D86 T93M63-G89 CarbonylContact O-C 3.53Å; M63-G89 VanDerWaalsContact O-C 3.3Å; M63-G89 WeakPolarHBondContact O-CA 3.3Å; A85-G89 PolarHBondContact O-N 2.94Å; D86-G89 PolarHBondContact O-N 3.36Å; G89-T93 VanDerWaalsContact O-CB 3.23Å; G89-T93 WeakPolarHBondContact O-CB 3.31Å; G89-T93 PolarHBondContact O-N 2.9Å; G89-T93 PolarHBondContact O-OG1 3.15Å
90I94.9Very high93.5Very high0 Ų029.1 Ų29.10%014%0.142CC..Hα-helixtrans-62.1-47.2177.3-67.1165.8000110.9Y62 D86 A87 A88 T93 S94 L123 I127 I136Y62-I90 HydrophobicContact CD1-CG1 3.99Å; Y62-I90 HydrophobicContact CD2-CG1 3.76Å; Y62-I90 HydrophobicContact CE1-CD1 4.39Å; Y62-I90 HydrophobicContact CE1-CG1 4.02Å; Y62-I90 HydrophobicContact CE2-CD1 4.38Å; Y62-I90 HydrophobicContact CE2-CG1 3.77Å; Y62-I90 HydrophobicContact CG-CG1 3.87Å; D86-I90 VanDerWaalsContact O-CG1 3.31Å; D86-I90 WeakPolarHBondContact O-CG1 3.49Å; D86-I90 PolarHBondContact O-N 2.79Å; A87-I90 PolarHBondContact O-N 2.82Å; A88-I90 VanDerWaalsContact C-N 3.33Å; A88-I90 PolarHBondContact O-N 3.44Å; I90-T93 PolarHBondContact O-N 3.32Å; I90-S94 VanDerWaalsContact O-CB 3.23Å; I90-S94 WeakPolarHBondContact O-CB 3.48Å; I90-S94 PolarHBondContact O-N 3.11Å; I90-L123 HydrophobicContact CG1-CD1 4.47Å; I90-L123 HydrophobicContact CG2-CD1 4.1Å; I90-L123 HydrophobicContact CG2-CG 4.28Å; I90-I127 HydrophobicContact CG2-CD1 3.73Å; I90-I127 HydrophobicContact CG2-CG1 3.48Å; I90-I127 VanDerWaalsContact CG2-CG1 3.48Å; I90-I136 HydrophobicContact CB-CD1 4.35Å; I90-I136 HydrophobicContact CD1-CD1 4.11Å; I90-I136 HydrophobicContact CG2-CD1 4.12Å; I90-I136 HydrophobicContact CG2-CG2 4.06Å
91I95Very high93.4Very high0 Ų025.6 Ų25.60%012%0.123CC..Hα-helixtrans-59.7-52.8178.8-69.5160.9000110.3M42 M72 A87 A88 T93 S94 L95 I136 A139 L140M42-I91 HydrophobicContact CE-CG2 4.21Å; M72-I91 HydrophobicContact CE-CD1 3.93Å; M72-I91 HydrophobicContact SD-CD1 4.35Å; M72-I91 HydrophobicContact SD-CG2 4.22Å; A87-I91 WeakPolarHBondContact O-CD1 3.5Å; A87-I91 WeakPolarHBondContact O-CG1 3.26Å; A87-I91 PolarHBondContact O-N 3.05Å; A88-I91 PolarHBondContact O-N 3.29Å; I91-T93 PolarHBondContact O-N 3.46Å; I91-S94 PolarHBondContact O-N 2.86Å; I91-L95 HydrophobicContact CG2-CD1 4.09Å; I91-L95 WeakPolarHBondContact O-CG 3.41Å; I91-L95 PolarHBondContact O-N 3.41Å; I91-I136 HydrophobicContact CD1-CG1 4.26Å; I91-I136 HydrophobicContact CG1-CB 4.24Å; I91-I136 HydrophobicContact CG1-CG1 4.13Å; I91-I136 HydrophobicContact CG1-CG2 3.95Å; I91-A139 HydrophobicContact CB-CB 4.47Å; I91-A139 HydrophobicContact CD1-CB 3.53Å; I91-A139 HydrophobicContact CG1-CB 3.8Å; I91-A139 HydrophobicContact CG2-CB 3.78Å; I91-L140 HydrophobicContact CG2-CD2 4.35Å
92L95.2Very high93.2Very high0 Ų027.1 Ų27.10%013%0.129CC..Hα-helixtrans-61.6-45.1-177.6-66.5168.9000111.6V35 L38 A39 M42 M43 W51 A88 L95 V96V35-L92 HydrophobicContact CG1-CB 4.4Å; L38-L92 HydrophobicContact CB-CD2 3.6Å; A39-L92 HydrophobicContact CB-CD1 4.01Å; M42-L92 HydrophobicContact SD-CD2 4.12Å; M43-L92 HydrophobicContact CE-CD1 3.94Å; W51-L92 HydrophobicContact CH2-CD1 3.81Å; W51-L92 HydrophobicContact CZ3-CD1 4.34Å; A88-L92 WeakPolarHBondContact O-CB 3.47Å; A88-L92 VanDerWaalsContact O-CG 3.23Å; A88-L92 WeakPolarHBondContact O-CG 3.34Å; A88-L92 PolarHBondContact O-N 3.29Å; L92-L95 PolarHBondContact O-N 3.42Å; L92-V96 VanDerWaalsContact O-CG2 3.28Å; L92-V96 WeakPolarHBondContact O-CG2 3.13Å; L92-V96 PolarHBondContact O-N 2.73Å; L92-V96 VanDerWaalsContact O-N 3.15Å
93T94.6Very high93Very high0 Ų027.8 Ų27.80%013%0.129CC..Hα-helixtrans-64.3-43178.7-55.60000111.1L23 F24 Y62 M63 G89 I90 I91 L95 V96 I97 L123L23-T93 HydrophobicContact CD2-CG2 4.2Å; F24-T93 HydrophobicContact CZ-CG2 4.33Å; Y62-T93 WeakPolarHBondContact CB-OG1 3.49Å; M63-T93 PolarHBondContact N-OG1 3.37Å; M63-T93 PolarHBondContact O-OG1 3.24Å; G89-T93 VanDerWaalsContact O-CB 3.23Å; G89-T93 WeakPolarHBondContact O-CB 3.31Å; G89-T93 PolarHBondContact O-N 2.9Å; G89-T93 PolarHBondContact O-OG1 3.15Å; I90-T93 PolarHBondContact O-N 3.32Å; I91-T93 PolarHBondContact O-N 3.46Å; T93-L95 PolarHBondContact O-N 2.91Å; T93-V96 PolarHBondContact O-N 3.38Å; T93-I97 HydrophobicContact CG2-CD1 3.8Å; T93-I97 HydrophobicContact CG2-CG1 4.34Å; T93-I97 WeakPolarHBondContact O-CG1 2.93Å; T93-I97 PolarHBondContact O-N 2.81Å; T93-L123 HydrophobicContact CG2-CD2 4.28Å
94S94.7Very high92.6Very high3 Ų329.2 Ų29.22%0.02114%0.135CC..Hα-helixtrans-61.6-43.9178.4179.90000111.7I90 I91 V96 I97 N98 L140I90-S94 VanDerWaalsContact O-CB 3.23Å; I90-S94 WeakPolarHBondContact O-CB 3.48Å; I90-S94 PolarHBondContact O-N 3.11Å; I91-S94 PolarHBondContact O-N 2.86Å; S94-V96 VanDerWaalsContact C-N 3.31Å; S94-V96 PolarHBondContact O-N 3.48Å; S94-I97 PolarHBondContact O-N 2.91Å; S94-N98 WeakPolarHBondContact O-CB 3.15Å; S94-N98 PolarHBondContact O-N 3.03Å; S94-L140 WeakPolarHBondContact OG-CD1 3.28Å
95L93.7Very high92.2Very high45 Ų4533.6 Ų33.624%0.23615%0.153CC..Hα-helixtrans-59.8-40.3175.8-69.8172.4000112.3L38 M42 I91 L92 T93 R99 L140L38-L95 HydrophobicContact CD1-CB 3.77Å; L38-L95 HydrophobicContact CD1-CD1 4.32Å; M42-L95 HydrophobicContact CE-CD1 4.09Å; M42-L95 HydrophobicContact SD-CD1 3.62Å; I91-L95 HydrophobicContact CG2-CD1 4.09Å; I91-L95 WeakPolarHBondContact O-CG 3.41Å; I91-L95 PolarHBondContact O-N 3.41Å; L92-L95 PolarHBondContact O-N 3.42Å; T93-L95 PolarHBondContact O-N 2.91Å; L95-R99 WeakPolarHBondContact O-CB 3.4Å; L95-R99 PolarHBondContact O-N 3.47Å; L95-L140 HydrophobicContact CD2-CD2 3.94Å; L95-L140 HydrophobicContact CG-CD2 3.92Å
96V94.7Very high91.9Very high0 Ų040.2 Ų40.20%019%0.187CC..Hα-helixtrans-67.6-47.6176.7177.10000111.3F24 A31 Y34 V35 L38 L92 T93 S94 N98 R99 Q100F24-V96 HydrophobicContact CE1-CG1 3.94Å; F24-V96 HydrophobicContact CZ-CG1 4.33Å; A31-V96 HydrophobicContact CB-CG1 3.82Å; Y34-V96 HydrophobicContact CD1-CB 4.22Å; Y34-V96 HydrophobicContact CD1-CG1 4.25Å; Y34-V96 HydrophobicContact CD1-CG2 3.54Å; Y34-V96 HydrophobicContact CE1-CG2 4.32Å; Y34-V96 HydrophobicContact CG-CG2 4.37Å; V35-V96 HydrophobicContact CB-CG2 4.31Å; V35-V96 HydrophobicContact CG2-CB 4.17Å; V35-V96 HydrophobicContact CG2-CG1 4.41Å; V35-V96 HydrophobicContact CG2-CG2 3.45Å; V35-V96 VanDerWaalsContact CG2-CG2 3.45Å; L38-V96 HydrophobicContact CD1-CG2 3.74Å; L92-V96 VanDerWaalsContact O-CG2 3.28Å; L92-V96 WeakPolarHBondContact O-CG2 3.13Å; L92-V96 PolarHBondContact O-N 2.73Å; L92-V96 VanDerWaalsContact O-N 3.15Å; T93-V96 PolarHBondContact O-N 3.38Å; S94-V96 VanDerWaalsContact C-N 3.31Å; S94-V96 PolarHBondContact O-N 3.48Å; V96-N98 VanDerWaalsContact C-N 3.3Å; V96-N98 PolarHBondContact O-N 2.94Å; V96-R99 PolarHBondContact O-N 3.09Å; V96-Q100 HydrophobicContact CG1-CG 4.32Å; V96-Q100 VanDerWaalsContact O-CG 3.29Å; V96-Q100 WeakPolarHBondContact O-CG 3.37Å; V96-Q100 PolarHBondContact O-N 3.02Å
97I93.7Very high91.6Very high0 Ų042.2 Ų42.20%020%0.204CC..Hα-helixtrans-57.5-46.1177.1-72.4169000110.3F24 T93 S94 R99 Q100 L101 Y116 R119 D120 L123F24-I97 HydrophobicContact CE1-CG1 4.15Å; T93-I97 HydrophobicContact CG2-CD1 3.8Å; T93-I97 HydrophobicContact CG2-CG1 4.34Å; T93-I97 WeakPolarHBondContact O-CG1 2.93Å; T93-I97 PolarHBondContact O-N 2.81Å; S94-I97 PolarHBondContact O-N 2.91Å; I97-R99 PolarHBondContact O-N 3.04Å; I97-Q100 PolarHBondContact O-N 3.33Å; I97-L101 WeakPolarHBondContact O-CB 3.31Å; I97-L101 PolarHBondContact O-N 3.29Å; I97-Y116 HydrophobicContact CG2-CD1 4.28Å; I97-R119 HydrophobicContact CD1-CB 4Å; I97-R119 HydrophobicContact CG2-CB 4.47Å; I97-D120 HydrophobicContact CG2-CB 3.77Å; I97-L123 HydrophobicContact CD1-CD2 4.1Å
98N92Very high91Very high62 Ų6245.1 Ų45.133%0.33223%0.234SC..Hα-helixtrans-63.4-44.5-178.8-156.8-85.9000111S94 V96 Q100 L101 W102S94-N98 WeakPolarHBondContact O-CB 3.15Å; S94-N98 PolarHBondContact O-N 3.03Å; V96-N98 VanDerWaalsContact C-N 3.3Å; V96-N98 PolarHBondContact O-N 2.94Å; N98-Q100 PolarHBondContact O-N 3.16Å; N98-L101 WeakPolarHBondContact O-CB 3.34Å; N98-L101 PolarHBondContact O-N 2.89Å; N98-W102 PolarHBondContact O-N 3.42Å; N98-W102 VanDerWaalsContact OD1-CD1 3.27Å; N98-W102 PolarHBondContact OD1-NE1 3.04Å; N98-W102 VanDerWaalsContact OD1-NE1 3.11Å
99R90.8Very high90.6Very high118 Ų11848.2 Ų48.245%0.44525%0.25SS..Hα-helixtrans-60.9-44.9175.6-176.1176-175.2-84-1.3112.8Y34 L95 V96 I97 L101 W102 L103Y34-R99 HydrophobicContact CE1-CB 4.33Å; Y34-R99 HydrophobicContact CE1-CG 4.38Å; Y34-R99 VanDerWaalsContact OH-CD 3.3Å; Y34-R99 WeakPolarHBondContact OH-CD 3.19Å; L95-R99 WeakPolarHBondContact O-CB 3.4Å; L95-R99 PolarHBondContact O-N 3.47Å; V96-R99 PolarHBondContact O-N 3.09Å; I97-R99 PolarHBondContact O-N 3.04Å; R99-L101 VanDerWaalsContact C-N 3.33Å; R99-W102 PolarHBondContact O-N 3.23Å; R99-L103 PolarHBondContact O-N 2.94Å
100Q90.5Very high90.2Very high6 Ų651.9 Ų51.93%0.02828%0.281CS..Hα-helixtrans-65.5-39.5178.5-67.8-66.79800111.1D27 V96 I97 N98 W102 L103 Y104 Y116D27-Q100 VanDerWaalsContact CB-NE2 3.32Å; D27-Q100 PolarHBondContact OD2-NE2 2.81Å; V96-Q100 HydrophobicContact CG1-CG 4.32Å; V96-Q100 VanDerWaalsContact O-CG 3.29Å; V96-Q100 WeakPolarHBondContact O-CG 3.37Å; V96-Q100 PolarHBondContact O-N 3.02Å; I97-Q100 PolarHBondContact O-N 3.33Å; N98-Q100 PolarHBondContact O-N 3.16Å; Q100-W102 VanDerWaalsContact C-N 3.33Å; Q100-W102 PolarHBondContact O-N 2.76Å; Q100-L103 PolarHBondContact O-N 3.35Å; Q100-Y104 WeakPolarHBondContact O-CD2 3.36Å; Q100-Y104 PolarHBondContact O-N 3.11Å; Q100-Y116 HydrophobicContact CB-CD1 3.73Å; Q100-Y116 HydrophobicContact CB-CD2 4.04Å; Q100-Y116 HydrophobicContact CB-CE1 3.37Å; Q100-Y116 HydrophobicContact CB-CE2 3.78Å; Q100-Y116 HydrophobicContact CB-CG 4.04Å; Q100-Y116 VanDerWaalsContact CB-CZ 3.41Å; Q100-Y116 HydrophobicContact CG-CE1 3.8Å; Q100-Y116 PolarHBondContact NE2-OH 2.87Å; Q100-Y116 VanDerWaalsContact NE2-OH 3.16Å
101L90Very high89.8Confident27 Ų2754.4 Ų54.414%0.14131%0.306CS..Hα-helixtrans-56.6-46.4173.8-179.864.8000111.5I97 N98 R99 Y104 H105 T113 R117I97-L101 WeakPolarHBondContact O-CB 3.31Å; I97-L101 PolarHBondContact O-N 3.29Å; N98-L101 WeakPolarHBondContact O-CB 3.34Å; N98-L101 PolarHBondContact O-N 2.89Å; R99-L101 VanDerWaalsContact C-N 3.33Å; L101-Y104 PolarHBondContact O-N 3.17Å; L101-H105 WeakPolarHBondContact O-CB 3.47Å; L101-H105 PolarHBondContact O-N 2.85Å; L101-T113 HydrophobicContact CD1-CG2 3.93Å; L101-T113 WeakPolarHBondContact CD1-O 3.18Å; L101-R117 HydrophobicContact CD1-CB 4.1Å
102W87.5Confident89.4Confident168 Ų16855.5 Ų55.564%0.63631%0.312SS*.Hα-helixtrans-62.5-43.6176.2-79.4109.5000112.7N98 R99 Q100 Y104 H105 D106N98-W102 PolarHBondContact O-N 3.42Å; N98-W102 VanDerWaalsContact OD1-CD1 3.27Å; N98-W102 PolarHBondContact OD1-NE1 3.04Å; N98-W102 VanDerWaalsContact OD1-NE1 3.11Å; R99-W102 PolarHBondContact O-N 3.23Å; Q100-W102 VanDerWaalsContact C-N 3.33Å; Q100-W102 PolarHBondContact O-N 2.76Å; W102-Y104 VanDerWaalsContact C-N 3.33Å; W102-Y104 PolarHBondContact O-N 3.31Å; W102-H105 PolarHBondContact O-N 3.45Å; W102-D106 PolarHBondContact O-N 2.98Å; W102-D106 VanDerWaalsContact O-N 3.1Å
103L89.5Confident89.2Confident89 Ų8956.2 Ų56.247%0.46632%0.316SS..Hα-helixtrans-59.6-43.1178.7-175.668000112R99 Q100 S107R99-L103 PolarHBondContact O-N 2.94Å; Q100-L103 PolarHBondContact O-N 3.35Å; L103-S107 PolarHBondContact O-N 3.46Å; L103-S107 VanDerWaalsContact O-N 3.14Å
104Y86.6Confident89Confident30 Ų3061.2 Ų61.212%0.11834%0.34CS..Hα-helixtrans-81.4-30.1-178.6-73.6-60.8000114.4D27 Q100 L101 W102 D106 S107 G108 D109 L112 T113 Y116D27-Y104 PolarHBondContact OD1-OH 2.97Å; D27-Y104 WeakPolarHBondContact OD2-CE2 3.48Å; D27-Y104 PolarHBondContact OD2-OH 3.14Å; Q100-Y104 WeakPolarHBondContact O-CD2 3.36Å; Q100-Y104 PolarHBondContact O-N 3.11Å; L101-Y104 PolarHBondContact O-N 3.17Å; W102-Y104 VanDerWaalsContact C-N 3.33Å; W102-Y104 PolarHBondContact O-N 3.31Å; Y104-D106 VanDerWaalsContact C-N 3.27Å; Y104-D106 PolarHBondContact O-N 3.26Å; Y104-S107 WeakPolarHBondContact CA-OG 3.15Å; Y104-S107 PolarHBondContact O-N 2.95Å; Y104-S107 PolarHBondContact O-OG 3.12Å; Y104-G108 PolarHBondContact O-N 3.44Å; Y104-D109 HydrophobicContact CD1-CB 3.78Å; Y104-D109 PolarHBondContact O-N 2.82Å; Y104-L112 HydrophobicContact CD1-CB 3.89Å; Y104-L112 HydrophobicContact CD1-CD1 3.91Å; Y104-L112 HydrophobicContact CD2-CB 3.84Å; Y104-L112 HydrophobicContact CD2-CD1 4.41Å; Y104-L112 HydrophobicContact CE1-CB 4.23Å; Y104-L112 HydrophobicContact CE1-CD1 3.4Å; Y104-L112 HydrophobicContact CE1-CG 4.45Å; Y104-L112 HydrophobicContact CE2-CB 4.17Å; Y104-L112 HydrophobicContact CE2-CD1 3.94Å; Y104-L112 HydrophobicContact CG-CB 3.71Å; Y104-L112 HydrophobicContact CG-CD1 4.4Å; Y104-L112 VanDerWaalsContact CZ-CD1 3.41Å; Y104-T113 WeakPolarHBondContact CB-OG1 3.48Å; Y104-T113 PolarHBondContact O-OG1 3.48Å; Y104-Y116 AromaticContact CD2-CD2 3.75Å; Y104-Y116 HydrophobicContact CD2-CD2 3.75Å; Y104-Y116 AromaticContact CD2-CE2 3.49Å; Y104-Y116 HydrophobicContact CD2-CE2 3.49Å; Y104-Y116 VanDerWaalsContact CD2-CE2 3.49Å; Y104-Y116 HydrophobicContact CE2-CD2 4.29Å; Y104-Y116 AromaticContact CE2-CE2 3.55Å; Y104-Y116 HydrophobicContact CE2-CE2 3.55Å
105H85.9Confident88.8Confident113 Ų11363.1 Ų63.152%0.52335%0.35SS..Hα-helixtrans-61.9-39.8171-176.7-85.3000111L101 W102 T113L101-H105 WeakPolarHBondContact O-CB 3.47Å; L101-H105 PolarHBondContact O-N 2.85Å; W102-H105 PolarHBondContact O-N 3.45Å; H105-T113 HydrophobicContact CB-CG2 4.5Å; H105-T113 PolarHBondContact N-OG1 3.47Å
106D85.4Confident88.8Confident147 Ų14761 Ų6179%0.78634%0.338SS*.Hα-helixtrans-72.1-38.7176.7-167.368.9000112.7W102 Y104 G108W102-D106 PolarHBondContact O-N 2.98Å; W102-D106 VanDerWaalsContact O-N 3.1Å; Y104-D106 VanDerWaalsContact C-N 3.27Å; Y104-D106 PolarHBondContact O-N 3.26Å; D106-G108 VanDerWaalsContact C-N 3.3Å; D106-G108 PolarHBondContact O-N 2.93Å
107S86.4Confident88.6Confident78 Ų7867 Ų6755%0.54536%0.361SS..Hα-helixtrans-75.7-15.1179.574.80000114.6L103 Y104L103-S107 PolarHBondContact O-N 3.46Å; L103-S107 VanDerWaalsContact O-N 3.14Å; Y104-S107 WeakPolarHBondContact CA-OG 3.15Å; Y104-S107 PolarHBondContact O-N 2.95Å; Y104-S107 PolarHBondContact O-OG 3.12Å
108G81.6Confident88.7Confident61 Ų6171.4 Ų71.463%0.62938%0.383SS*.THydrogen-bonded Turntrans8112.1-179.800000114.8Y104 D106 A110Y104-G108 PolarHBondContact O-N 3.44Å; D106-G108 VanDerWaalsContact C-N 3.3Å; D106-G108 PolarHBondContact O-N 2.93Å; G108-A110 PolarHBondContact O-N 2.82Å
109D85.7Confident88.7Confident66 Ų6669.3 Ų69.335%0.35337%0.37SS..  trans-73.797174.3-169.5-39.8000110.4Y104 G111 L112 T113Y104-D109 HydrophobicContact CD1-CB 3.78Å; Y104-D109 PolarHBondContact O-N 2.82Å; D109-G111 VanDerWaalsContact C-N 3.26Å; D109-G111 PolarHBondContact O-N 3.32Å; D109-G111 WeakPolarHBondContact OD1-CA 3.22Å; D109-G111 PolarHBondContact OD1-N 3.49Å; D109-L112 HydrophobicContact CB-CB 4.48Å; D109-L112 PolarHBondContact OD1-N 2.86Å; D109-T113 WeakPolarHBondContact O-CB 2.95Å; D109-T113 PolarHBondContact O-N 3.1Å; D109-T113 PolarHBondContact O-OG1 2.89Å
110A85.8Confident88.8Confident77 Ų7765 Ų6564%0.63636%0.356SS*.Hα-helixtrans-64.1-29.7-179.500000113.2G108 Q114G108-A110 PolarHBondContact O-N 2.82Å; A110-Q114 VanDerWaalsContact O-CB 3.24Å; A110-Q114 WeakPolarHBondContact O-CB 3.42Å; A110-Q114 PolarHBondContact O-N 3.42Å; A110-Q114 VanDerWaalsContact O-N 3.09Å
111G86.9Confident89Confident52 Ų5267.5 Ų67.554%0.53638%0.378SS..Hα-helixtrans-71-54-177.400000111.4D109 Q114 L115D109-G111 VanDerWaalsContact C-N 3.26Å; D109-G111 PolarHBondContact O-N 3.32Å; D109-G111 WeakPolarHBondContact OD1-CA 3.22Å; D109-G111 PolarHBondContact OD1-N 3.49Å; G111-Q114 PolarHBondContact O-N 3.44Å; G111-L115 PolarHBondContact O-N 3.42Å
112L86.8Confident89.1Confident24 Ų2467.3 Ų67.313%0.12638%0.376CS..Hα-helixtrans-69-39.8178.2-69.8174.4000111.4Y104 D109 Q114 L115 Y116Y104-L112 HydrophobicContact CD1-CB 3.89Å; Y104-L112 HydrophobicContact CD1-CD1 3.91Å; Y104-L112 HydrophobicContact CD2-CB 3.84Å; Y104-L112 HydrophobicContact CD2-CD1 4.41Å; Y104-L112 HydrophobicContact CE1-CB 4.23Å; Y104-L112 HydrophobicContact CE1-CD1 3.4Å; Y104-L112 HydrophobicContact CE1-CG 4.45Å; Y104-L112 HydrophobicContact CE2-CB 4.17Å; Y104-L112 HydrophobicContact CE2-CD1 3.94Å; Y104-L112 HydrophobicContact CG-CB 3.71Å; Y104-L112 HydrophobicContact CG-CD1 4.4Å; Y104-L112 VanDerWaalsContact CZ-CD1 3.41Å; D109-L112 HydrophobicContact CB-CB 4.48Å; D109-L112 PolarHBondContact OD1-N 2.86Å; L112-Q114 VanDerWaalsContact C-N 3.29Å; L112-Q114 PolarHBondContact O-N 3Å; L112-L115 HydrophobicContact CD2-CD2 4.18Å; L112-L115 WeakPolarHBondContact O-CB 3.31Å; L112-L115 PolarHBondContact O-N 3.16Å; L112-L115 VanDerWaalsContact O-N 3.14Å; L112-Y116 HydrophobicContact CB-CD2 4.39Å; L112-Y116 HydrophobicContact CB-CE2 4.29Å; L112-Y116 HydrophobicContact CD2-CE2 4.48Å; L112-Y116 WeakPolarHBondContact O-CD2 3.47Å; L112-Y116 PolarHBondContact O-N 3.44Å
113T89.7Confident89.4Confident14 Ų1459.4 Ų59.49%0.08635%0.347CS..Hα-helixtrans-55.4-45.4174.2-61.40000111.5L101 Y104 H105 D109 R117L101-T113 HydrophobicContact CD1-CG2 3.93Å; L101-T113 WeakPolarHBondContact CD1-O 3.18Å; Y104-T113 WeakPolarHBondContact CB-OG1 3.48Å; Y104-T113 PolarHBondContact O-OG1 3.48Å; H105-T113 HydrophobicContact CB-CG2 4.5Å; H105-T113 PolarHBondContact N-OG1 3.47Å; D109-T113 WeakPolarHBondContact O-CB 2.95Å; D109-T113 PolarHBondContact O-N 3.1Å; D109-T113 PolarHBondContact O-OG1 2.89Å; T113-R117 VanDerWaalsContact O-CB 3.31Å; T113-R117 WeakPolarHBondContact O-CB 3.38Å; T113-R117 PolarHBondContact O-N 2.82Å
114Q90.7Very high89.5Confident106 Ų10659.7 Ų59.750%0.49534%0.342SS..Hα-helixtrans-68.2-37.9178.9-176.258.428.900112.2A110 G111 L112 M118A110-Q114 VanDerWaalsContact O-CB 3.24Å; A110-Q114 WeakPolarHBondContact O-CB 3.42Å; A110-Q114 PolarHBondContact O-N 3.42Å; A110-Q114 VanDerWaalsContact O-N 3.09Å; G111-Q114 PolarHBondContact O-N 3.44Å; L112-Q114 VanDerWaalsContact C-N 3.29Å; L112-Q114 PolarHBondContact O-N 3Å; Q114-M118 WeakPolarHBondContact O-CB 3.47Å; Q114-M118 PolarHBondContact O-N 3.22Å
115L91.3Very high89.8Confident43 Ų4364.7 Ų64.723%0.22536%0.36CS..Hα-helixtrans-59-53.4174.5178.367.2000111G111 L112 R117 M118 R119G111-L115 PolarHBondContact O-N 3.42Å; L112-L115 HydrophobicContact CD2-CD2 4.18Å; L112-L115 WeakPolarHBondContact O-CB 3.31Å; L112-L115 PolarHBondContact O-N 3.16Å; L112-L115 VanDerWaalsContact O-N 3.14Å; L115-R117 PolarHBondContact O-N 2.68Å; L115-M118 WeakPolarHBondContact O-CB 3.41Å; L115-M118 PolarHBondContact O-N 3.14Å; L115-R119 WeakPolarHBondContact O-CG 3.42Å; L115-R119 PolarHBondContact O-N 2.83Å
116Y92.5Very high90Very high0 Ų061.7 Ų61.70%035%0.346CS..Hα-helixtrans-65.4-37.6-178.8-74.1-71.6000112.3F24 D27 I97 Q100 Y104 L112 M118 R119 D120F24-Y116 HydrophobicContact CD1-CE1 4.09Å; F24-Y116 PolarHBondContact O-OH 3.49Å; D27-Y116 PolarHBondContact OD2-OH 3.28Å; I97-Y116 HydrophobicContact CG2-CD1 4.28Å; Q100-Y116 HydrophobicContact CB-CD1 3.73Å; Q100-Y116 HydrophobicContact CB-CD2 4.04Å; Q100-Y116 HydrophobicContact CB-CE1 3.37Å; Q100-Y116 HydrophobicContact CB-CE2 3.78Å; Q100-Y116 HydrophobicContact CB-CG 4.04Å; Q100-Y116 VanDerWaalsContact CB-CZ 3.41Å; Q100-Y116 HydrophobicContact CG-CE1 3.8Å; Q100-Y116 PolarHBondContact NE2-OH 2.87Å; Q100-Y116 VanDerWaalsContact NE2-OH 3.16Å; Y104-Y116 AromaticContact CD2-CD2 3.75Å; Y104-Y116 HydrophobicContact CD2-CD2 3.75Å; Y104-Y116 AromaticContact CD2-CE2 3.49Å; Y104-Y116 HydrophobicContact CD2-CE2 3.49Å; Y104-Y116 VanDerWaalsContact CD2-CE2 3.49Å; Y104-Y116 HydrophobicContact CE2-CD2 4.29Å; Y104-Y116 AromaticContact CE2-CE2 3.55Å; Y104-Y116 HydrophobicContact CE2-CE2 3.55Å; L112-Y116 HydrophobicContact CB-CD2 4.39Å; L112-Y116 HydrophobicContact CB-CE2 4.29Å; L112-Y116 HydrophobicContact CD2-CE2 4.48Å; L112-Y116 WeakPolarHBondContact O-CD2 3.47Å; L112-Y116 PolarHBondContact O-N 3.44Å; Y116-M118 VanDerWaalsContact C-N 3.32Å; Y116-M118 PolarHBondContact O-N 3.18Å; Y116-R119 PolarHBondContact O-N 2.94Å; Y116-D120 WeakPolarHBondContact O-CB 3.43Å; Y116-D120 PolarHBondContact O-N 2.86Å
117R92.1Very high90.3Very high127 Ų12754.7 Ų54.748%0.47931%0.309SS..Hα-helixtrans-61.3-41.2173.7-175.4-177.4-70167.7-4.2112L101 T113 L115 A121L101-R117 HydrophobicContact CD1-CB 4.1Å; T113-R117 VanDerWaalsContact O-CB 3.31Å; T113-R117 WeakPolarHBondContact O-CB 3.38Å; T113-R117 PolarHBondContact O-N 2.82Å; L115-R117 PolarHBondContact O-N 2.68Å; R117-A121 PolarHBondContact O-N 2.91Å; R117-A121 VanDerWaalsContact O-N 3.11Å
118M94.2Very high90.5Very high92 Ų9254.9 Ų54.945%0.45331%0.306SS..Hα-helixtrans-65.1-43.3175.8179.5179.917600111.5Q114 L115 Y116 A121 Q122Q114-M118 WeakPolarHBondContact O-CB 3.47Å; Q114-M118 PolarHBondContact O-N 3.22Å; L115-M118 WeakPolarHBondContact O-CB 3.41Å; L115-M118 PolarHBondContact O-N 3.14Å; Y116-M118 VanDerWaalsContact C-N 3.32Å; Y116-M118 PolarHBondContact O-N 3.18Å; M118-A121 PolarHBondContact O-N 3.35Å; M118-Q122 WeakPolarHBondContact O-CB 3.14Å; M118-Q122 VanDerWaalsContact O-CG 3.26Å; M118-Q122 WeakPolarHBondContact O-CG 3.13Å; M118-Q122 PolarHBondContact O-N 3.29Å
119R93.4Very high90.9Very high17 Ų1759.6 Ų59.66%0.06431%0.31CS..Hα-helixtrans-65.1-41.7177.9-66.6-62.8180-100.2-8.5112.5Y22 L23 I97 L115 Y116 Q122 L123Y22-R119 PolarHBondContact O-NH2 3.46Å; L23-R119 HydrophobicContact CD1-CG 4.33Å; I97-R119 HydrophobicContact CD1-CB 4Å; I97-R119 HydrophobicContact CG2-CB 4.47Å; L115-R119 WeakPolarHBondContact O-CG 3.42Å; L115-R119 PolarHBondContact O-N 2.83Å; Y116-R119 PolarHBondContact O-N 2.94Å; R119-Q122 PolarHBondContact O-N 3.43Å; R119-L123 WeakPolarHBondContact O-CB 3.31Å; R119-L123 PolarHBondContact O-N 3Å
120D93.3Very high91.1Very high27 Ų2757.2 Ų57.214%0.14430%0.297CS..Hα-helixtrans-57.9-52.6175-172.368.7000110.3I97 Y116 Q122 L123 W124I97-D120 HydrophobicContact CG2-CB 3.77Å; Y116-D120 WeakPolarHBondContact O-CB 3.43Å; Y116-D120 PolarHBondContact O-N 2.86Å; D120-Q122 VanDerWaalsContact C-N 3.33Å; D120-Q122 PolarHBondContact O-N 2.87Å; D120-L123 PolarHBondContact O-N 3.09Å; D120-L123 VanDerWaalsContact O-N 3.17Å; D120-W124 VanDerWaalsContact CG-CD1 3.5Å; D120-W124 WeakPolarHBondContact O-CB 3.36Å; D120-W124 PolarHBondContact O-N 2.97Å; D120-W124 PolarHBondContact OD1-NE1 3.2Å; D120-W124 VanDerWaalsContact OD2-CD1 3.27Å; D120-W124 PolarHBondContact OD2-NE1 2.9Å
121A93.7Very high91.5Very high60 Ų6059.4 Ų59.450%0.49630%0.304SS..Hα-helixtrans-60-39178.700000113.6R117 M118 R125R117-A121 PolarHBondContact O-N 2.91Å; R117-A121 VanDerWaalsContact O-N 3.11Å; M118-A121 PolarHBondContact O-N 3.35Å; A121-R125 WeakPolarHBondContact O-CB 3.5Å; A121-R125 PolarHBondContact O-N 3.4Å; A121-R125 VanDerWaalsContact O-N 3.08Å
122Q93Very high91.7Very high23 Ų2358.8 Ų58.811%0.10729%0.287CS..Hα-helixtrans-64.2-44.8176-75.8171.6-29.800111.7D58 G59 M118 R119 D120 R125 H126D58-Q122 PolarHBondContact O-NE2 2.98Å; G59-Q122 VanDerWaalsContact C-CD 3.43Å; G59-Q122 PolarHBondContact O-OE1 3Å; M118-Q122 WeakPolarHBondContact O-CB 3.14Å; M118-Q122 VanDerWaalsContact O-CG 3.26Å; M118-Q122 WeakPolarHBondContact O-CG 3.13Å; M118-Q122 PolarHBondContact O-N 3.29Å; R119-Q122 PolarHBondContact O-N 3.43Å; D120-Q122 VanDerWaalsContact C-N 3.33Å; D120-Q122 PolarHBondContact O-N 2.87Å; Q122-R125 PolarHBondContact O-N 3.09Å; Q122-H126 PolarHBondContact O-N 2.99Å
123L92.7Very high92Very high2 Ų258.8 Ų58.81%0.0129%0.289CS..Hα-helixtrans-67.5-43178.6-169.360.6000111.1L56 Y62 I90 T93 I97 R119 D120 R125 H126 I127L56-L123 HydrophobicContact CD1-CD1 4.22Å; Y62-L123 HydrophobicContact CD1-CD1 3.96Å; Y62-L123 HydrophobicContact CG-CD1 4.37Å; I90-L123 HydrophobicContact CG1-CD1 4.47Å; I90-L123 HydrophobicContact CG2-CD1 4.1Å; I90-L123 HydrophobicContact CG2-CG 4.28Å; T93-L123 HydrophobicContact CG2-CD2 4.28Å; I97-L123 HydrophobicContact CD1-CD2 4.1Å; R119-L123 WeakPolarHBondContact O-CB 3.31Å; R119-L123 PolarHBondContact O-N 3Å; D120-L123 PolarHBondContact O-N 3.09Å; D120-L123 VanDerWaalsContact O-N 3.17Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 3.32Å; L123-H126 WeakPolarHBondContact O-CA 2.95Å; L123-H126 WeakPolarHBondContact O-CB 3.41Å; L123-H126 PolarHBondContact O-N 2.93Å; L123-I127 HydrophobicContact CG-CD1 4.38Å; L123-I127 WeakPolarHBondContact O-CG1 3.46Å; L123-I127 PolarHBondContact O-N 3.05Å
124W92.4Very high92.2Very high95 Ų9564 Ų6436%0.3632%0.316SS..Hα-helixtrans-57-42.9175-88104.3000112.9D120 H126 I127 V128 Y137 L140D120-W124 VanDerWaalsContact CG-CD1 3.5Å; D120-W124 WeakPolarHBondContact O-CB 3.36Å; D120-W124 PolarHBondContact O-N 2.97Å; D120-W124 PolarHBondContact OD1-NE1 3.2Å; D120-W124 VanDerWaalsContact OD2-CD1 3.27Å; D120-W124 PolarHBondContact OD2-NE1 2.9Å; W124-H126 VanDerWaalsContact C-N 3.26Å; W124-H126 PolarHBondContact O-N 3.14Å; W124-I127 HydrophobicContact CD2-CD1 4.44Å; W124-I127 PolarHBondContact O-N 2.87Å; W124-V128 WeakPolarHBondContact O-CG2 3.02Å; W124-V128 PolarHBondContact O-N 3.22Å; W124-Y137 HydrophobicContact CE3-CD1 4.4Å; W124-Y137 AromaticContact CE3-CE1 3.79Å; W124-Y137 HydrophobicContact CE3-CE1 3.79Å; W124-Y137 AromaticContact CH2-CD1 3.96Å; W124-Y137 HydrophobicContact CH2-CD1 3.96Å; W124-Y137 HydrophobicContact CH2-CE1 4.18Å; W124-Y137 AromaticContact CZ3-CD1 3.46Å; W124-Y137 HydrophobicContact CZ3-CD1 3.46Å; W124-Y137 VanDerWaalsContact CZ3-CD1 3.46Å; W124-Y137 AromaticContact CZ3-CE1 3.24Å; W124-Y137 HydrophobicContact CZ3-CE1 3.24Å; W124-L140 HydrophobicContact CH2-CD1 4.35Å; W124-L140 HydrophobicContact CZ2-CD1 4.14Å
125R91.9Very high92.2Very high134 Ų13459.5 Ų59.551%0.50630%0.298SS..Hα-helixtrans-62.6-35.1176.1-176.9168.5131.7112.2-7.7112.1D58 A121 Q122 L123 F129D58-R125 IonicContact OD1-CZ 3.12Å; D58-R125 IonicContact OD1-NE 3.63Å; D58-R125 IonicContact OD1-NH2 3.4Å; D58-R125 PolarHBondContact OD1-NH2 3.16Å; D58-R125 IonicContact OD2-CZ 2.9Å; D58-R125 IonicContact OD2-NE 2.73Å; D58-R125 PolarHBondContact OD2-NE 2.66Å; D58-R125 IonicContact OD2-NH2 3.82Å; D58-R125 PolarHBondContact OD2-NH2 3.38Å; A121-R125 WeakPolarHBondContact O-CB 3.5Å; A121-R125 PolarHBondContact O-N 3.4Å; A121-R125 VanDerWaalsContact O-N 3.08Å; Q122-R125 PolarHBondContact O-N 3.09Å; L123-R125 VanDerWaalsContact C-N 3.31Å; L123-R125 PolarHBondContact O-N 3.32Å; R125-F129 HydrophobicContact CG-CE2 4.47Å; R125-F129 WeakPolarHBondContact O-CD2 3.37Å
126H90.6Very high92.3Very high50 Ų5057.4 Ų57.423%0.23129%0.287CS..Hα-helixtrans-69.4-42174-176.667.8000112.3L56 Y62 Q122 L123 W124 V128 F129 H130L56-H126 HydrophobicContact CD1-CB 3.74Å; L56-H126 HydrophobicContact CD2-CB 4Å; L56-H126 VanDerWaalsContact CD2-CG 3.44Å; L56-H126 WeakPolarHBondContact CD2-ND1 3.33Å; Y62-H126 AromaticContact CE1-NE2 3.89Å; Q122-H126 PolarHBondContact O-N 2.99Å; L123-H126 WeakPolarHBondContact O-CA 2.95Å; L123-H126 WeakPolarHBondContact O-CB 3.41Å; L123-H126 PolarHBondContact O-N 2.93Å; W124-H126 VanDerWaalsContact C-N 3.26Å; W124-H126 PolarHBondContact O-N 3.14Å; H126-V128 PolarHBondContact O-N 3.04Å; H126-F129 PolarHBondContact O-N 3.17Å; H126-F129 VanDerWaalsContact O-N 3.08Å; H126-H130 PolarHBondContact O-N 3.38Å
127I91.9Very high92.3Very high0 Ų061 Ų610%030%0.301CS..Hα-helixtrans-56.2-39.8178.9-65.4165.5000111.4I90 L123 W124 F129 H130 C133 I136 Y137 L140I90-I127 HydrophobicContact CG2-CD1 3.73Å; I90-I127 HydrophobicContact CG2-CG1 3.48Å; I90-I127 VanDerWaalsContact CG2-CG1 3.48Å; L123-I127 HydrophobicContact CG-CD1 4.38Å; L123-I127 WeakPolarHBondContact O-CG1 3.46Å; L123-I127 PolarHBondContact O-N 3.05Å; W124-I127 HydrophobicContact CD2-CD1 4.44Å; W124-I127 PolarHBondContact O-N 2.87Å; I127-F129 PolarHBondContact O-N 2.72Å; I127-F129 VanDerWaalsContact O-N 3.15Å; I127-H130 WeakPolarHBondContact O-CB 3.45Å; I127-H130 PolarHBondContact O-N 2.78Å; I127-C133 HydrophobicContact CG2-CB 4.31Å; I127-C133 WeakPolarHBondContact O-CB 3.46Å; I127-I136 HydrophobicContact CD1-CG2 3.79Å; I127-I136 HydrophobicContact CG1-CG2 3.98Å; I127-I136 HydrophobicContact CG2-CB 3.97Å; I127-I136 HydrophobicContact CG2-CD1 4.21Å; I127-I136 HydrophobicContact CG2-CG2 3.7Å; I127-Y137 HydrophobicContact CB-CE1 4.24Å; I127-Y137 HydrophobicContact CG2-CD1 3.9Å; I127-Y137 HydrophobicContact CG2-CE1 3.27Å; I127-L140 HydrophobicContact CD1-CD1 4.05Å
128V91.4Very high92.3Very high82 Ų8256.5 Ų56.550%0.49729%0.291SS..Hα-helixtrans-56.7-32-179.8173.80000112.7W124 H126 Y137W124-V128 WeakPolarHBondContact O-CG2 3.02Å; W124-V128 PolarHBondContact O-N 3.22Å; H126-V128 PolarHBondContact O-N 3.04Å; V128-Y137 WeakPolarHBondContact CA-OH 3.24Å; V128-Y137 VanDerWaalsContact CG2-OH 3.32Å; V128-Y137 WeakPolarHBondContact CG2-OH 3.12Å
129F90.1Very high92.1Very high160 Ų16052.1 Ų52.170%0.70227%0.27SS*.THydrogen-bonded Turntrans-96.6-1.2179.9-60.4-71.8000113.6R125 H126 I127R125-F129 HydrophobicContact CG-CE2 4.47Å; R125-F129 WeakPolarHBondContact O-CD2 3.37Å; H126-F129 PolarHBondContact O-N 3.17Å; H126-F129 VanDerWaalsContact O-N 3.08Å; I127-F129 PolarHBondContact O-N 2.72Å; I127-F129 VanDerWaalsContact O-N 3.15Å
130H89.8Confident92Very high17 Ų1753.1 Ų53.18%0.07928%0.276CS..SBendtrans-78.4135.5-178.6-169.5-87.9000110.9D86 H126 I127 E132 C133 I136D86-H130 IonicContact OD2-CD2 2.9Å; D86-H130 PolarHBondContact OD2-CD2 3.19Å; D86-H130 IonicContact OD2-NE2 3.62Å; D86-H130 PolarHBondContact OD2-NE2 3.34Å; H126-H130 PolarHBondContact O-N 3.38Å; I127-H130 WeakPolarHBondContact O-CB 3.45Å; I127-H130 PolarHBondContact O-N 2.78Å; H130-E132 IonicContact CE1-OE2 3.76Å; H130-E132 PolarHBondContact ND1-N 2.78Å; H130-E132 PolarHBondContact O-N 3Å; H130-C133 WeakPolarHBondContact O-CB 3.42Å; H130-C133 PolarHBondContact O-N 3.04Å; H130-I136 HydrophobicContact CB-CD1 4.19Å
131P92.6Very high91.6Very high122 Ų12260 Ų6079%0.79231%0.313SS*.THydrogen-bonded Turntrans-61.3-29.1-178.923.7-35.1000113.9
132E92.2Very high91.5Very high39 Ų3960 Ų6018%0.18230%0.303CS..THydrogen-bonded Turntrans-96.423.6174.9-60.2178.5110.900112.9R69 S84 A87 H130 N134 A135 I136R69-E132 IonicContact CZ-OE1 2.66Å; R69-E132 IonicContact NH1-OE1 3.68Å; R69-E132 PolarHBondContact NH1-OE1 3.37Å; R69-E132 IonicContact NH2-OE1 3.54Å; R69-E132 PolarHBondContact NH2-OE1 3.05Å; S84-E132 WeakPolarHBondContact CB-OE2 3.35Å; S84-E132 PolarHBondContact N-OE1 3.37Å; S84-E132 PolarHBondContact N-OE2 2.99Å; S84-E132 VanDerWaalsContact N-OE2 3.14Å; S84-E132 PolarHBondContact OG-OE2 3.3Å; A87-E132 HydrophobicContact CB-CB 4.24Å; H130-E132 IonicContact CE1-OE2 3.76Å; H130-E132 PolarHBondContact ND1-N 2.78Å; H130-E132 PolarHBondContact O-N 3Å; E132-N134 VanDerWaalsContact C-N 3.26Å; E132-N134 PolarHBondContact O-N 3.05Å; E132-A135 HydrophobicContact CB-CB 4.36Å; E132-A135 WeakPolarHBondContact O-CB 3.24Å; E132-A135 PolarHBondContact O-N 3.42Å; E132-I136 PolarHBondContact O-N 3.26Å
133C93.2Very high91.4Very high25 Ų2561.9 Ų61.917%0.16931%0.314CS..Hα-helixtrans-50.6-42.6-177.761.90000113.5I127 H130 A135 I136 Y137I127-C133 HydrophobicContact CG2-CB 4.31Å; I127-C133 WeakPolarHBondContact O-CB 3.46Å; H130-C133 WeakPolarHBondContact O-CB 3.42Å; H130-C133 PolarHBondContact O-N 3.04Å; C133-A135 VanDerWaalsContact C-N 3.29Å; C133-A135 PolarHBondContact O-N 3.28Å; C133-I136 PolarHBondContact O-N 2.9Å; C133-I136 VanDerWaalsContact O-N 3.14Å; C133-Y137 HydrophobicContact CB-CE2 4Å; C133-Y137 VanDerWaalsContact O-CD2 3.24Å; C133-Y137 WeakPolarHBondContact O-CD2 3.15Å; C133-Y137 VanDerWaalsContact O-CG 3.23Å; C133-Y137 PolarHBondContact O-N 2.55Å
134N92.6Very high91.3Very high122 Ų12265.2 Ų65.265%0.65233%0.33SS*.Hα-helixtrans-62-35.1177.8-68.5-23.6000112.9E132 A138E132-N134 VanDerWaalsContact C-N 3.26Å; E132-N134 PolarHBondContact O-N 3.05Å; N134-A138 WeakPolarHBondContact O-CB 3.16Å; N134-A138 PolarHBondContact O-N 3.42Å; N134-A138 VanDerWaalsContact O-N 3.12Å
135A92.3Very high91.2Very high12 Ų1263.5 Ų63.510%0.09933%0.329CS..Hα-helixtrans-73.2-39.1175.900000110.6F79 V83 E132 C133 A138 A139F79-A135 WeakPolarHBondContact CE2-O 3.42Å; V83-A135 HydrophobicContact CG1-CB 3.91Å; E132-A135 HydrophobicContact CB-CB 4.36Å; E132-A135 WeakPolarHBondContact O-CB 3.24Å; E132-A135 PolarHBondContact O-N 3.42Å; C133-A135 VanDerWaalsContact C-N 3.29Å; C133-A135 PolarHBondContact O-N 3.28Å; A135-A138 PolarHBondContact O-N 3.26Å; A135-A139 PolarHBondContact O-N 2.93Å
136I93.5Very high91.2Very high0 Ų059.1 Ų59.10%032%0.318CS..Hα-helixtrans-62.7-47.2175.5-61.9168.1000110.4A87 I90 I91 I127 H130 E132 C133 A138 A139 L140A87-I136 HydrophobicContact CB-CD1 4.1Å; A87-I136 HydrophobicContact CB-CG1 3.98Å; I90-I136 HydrophobicContact CB-CD1 4.35Å; I90-I136 HydrophobicContact CD1-CD1 4.11Å; I90-I136 HydrophobicContact CG2-CD1 4.12Å; I90-I136 HydrophobicContact CG2-CG2 4.06Å; I91-I136 HydrophobicContact CD1-CG1 4.26Å; I91-I136 HydrophobicContact CG1-CB 4.24Å; I91-I136 HydrophobicContact CG1-CG1 4.13Å; I91-I136 HydrophobicContact CG1-CG2 3.95Å; I127-I136 HydrophobicContact CD1-CG2 3.79Å; I127-I136 HydrophobicContact CG1-CG2 3.98Å; I127-I136 HydrophobicContact CG2-CB 3.97Å; I127-I136 HydrophobicContact CG2-CD1 4.21Å; I127-I136 HydrophobicContact CG2-CG2 3.7Å; H130-I136 HydrophobicContact CB-CD1 4.19Å; E132-I136 PolarHBondContact O-N 3.26Å; C133-I136 PolarHBondContact O-N 2.9Å; C133-I136 VanDerWaalsContact O-N 3.14Å; I136-A138 VanDerWaalsContact C-N 3.35Å; I136-A138 PolarHBondContact O-N 2.75Å; I136-A139 PolarHBondContact O-N 2.92Å; I136-A139 VanDerWaalsContact O-N 3.07Å; I136-L140 HydrophobicContact CG2-CD1 3.76Å; I136-L140 HydrophobicContact CG2-CG 4.33Å; I136-L140 WeakPolarHBondContact O-CG 3.45Å; I136-L140 PolarHBondContact O-N 3.16Å; I136-L140 VanDerWaalsContact O-N 3.08Å
137Y92.5Very high91.3Very high74 Ų7459.7 Ų59.729%0.2932%0.323SS..Hα-helixtrans-58.9-45.5176.1-61.6-34.1000112.1W124 I127 V128 C133 A139 L140 D141W124-Y137 HydrophobicContact CE3-CD1 4.4Å; W124-Y137 AromaticContact CE3-CE1 3.79Å; W124-Y137 HydrophobicContact CE3-CE1 3.79Å; W124-Y137 AromaticContact CH2-CD1 3.96Å; W124-Y137 HydrophobicContact CH2-CD1 3.96Å; W124-Y137 HydrophobicContact CH2-CE1 4.18Å; W124-Y137 AromaticContact CZ3-CD1 3.46Å; W124-Y137 HydrophobicContact CZ3-CD1 3.46Å; W124-Y137 VanDerWaalsContact CZ3-CD1 3.46Å; W124-Y137 AromaticContact CZ3-CE1 3.24Å; W124-Y137 HydrophobicContact CZ3-CE1 3.24Å; I127-Y137 HydrophobicContact CB-CE1 4.24Å; I127-Y137 HydrophobicContact CG2-CD1 3.9Å; I127-Y137 HydrophobicContact CG2-CE1 3.27Å; V128-Y137 WeakPolarHBondContact CA-OH 3.24Å; V128-Y137 VanDerWaalsContact CG2-OH 3.32Å; V128-Y137 WeakPolarHBondContact CG2-OH 3.12Å; C133-Y137 HydrophobicContact CB-CE2 4Å; C133-Y137 VanDerWaalsContact O-CD2 3.24Å; C133-Y137 WeakPolarHBondContact O-CD2 3.15Å; C133-Y137 VanDerWaalsContact O-CG 3.23Å; C133-Y137 PolarHBondContact O-N 2.55Å; Y137-A139 PolarHBondContact O-N 3.41Å; Y137-L140 PolarHBondContact O-N 3.36Å; Y137-L140 VanDerWaalsContact O-N 3.12Å; Y137-D141 PolarHBondContact O-N 3.32Å
138A91.4Very high91.2Very high34 Ų3463.9 Ų63.928%0.28135%0.347SS..Hα-helixtrans-64.5-23.2177.100000113.6N77 F79 N134 A135 I136N77-A138 PolarHBondContact ND2-O 2.98Å; F79-A138 HydrophobicContact CD2-CB 3.92Å; F79-A138 HydrophobicContact CE2-CB 4.03Å; N134-A138 WeakPolarHBondContact O-CB 3.16Å; N134-A138 PolarHBondContact O-N 3.42Å; N134-A138 VanDerWaalsContact O-N 3.12Å; A135-A138 PolarHBondContact O-N 3.26Å; I136-A138 VanDerWaalsContact C-N 3.35Å; I136-A138 PolarHBondContact O-N 2.75Å
139A90.7Very high91.2Very high0 Ų062.5 Ų62.50%034%0.335CS..Hα-helixtrans-84.1-23.8175.600000113.1N74 N77 F79 I91 A135 I136 Y137N74-A139 PolarHBondContact ND2-O 3.34Å; N77-A139 PolarHBondContact ND2-O 2.93Å; F79-A139 HydrophobicContact CD1-CB 4.15Å; F79-A139 HydrophobicContact CD2-CB 3.91Å; F79-A139 HydrophobicContact CE1-CB 4.05Å; F79-A139 HydrophobicContact CE2-CB 3.81Å; F79-A139 HydrophobicContact CG-CB 4.07Å; F79-A139 HydrophobicContact CZ-CB 3.86Å; I91-A139 HydrophobicContact CB-CB 4.47Å; I91-A139 HydrophobicContact CD1-CB 3.53Å; I91-A139 HydrophobicContact CG1-CB 3.8Å; I91-A139 HydrophobicContact CG2-CB 3.78Å; A135-A139 PolarHBondContact O-N 2.93Å; I136-A139 PolarHBondContact O-N 2.92Å; I136-A139 VanDerWaalsContact O-N 3.07Å; Y137-A139 PolarHBondContact O-N 3.41Å
140L89.6Confident91.3Very high37 Ų3754.4 Ų54.419%0.19430%0.304CS..Hα-helixtrans-97.5-13.3-178.4-63.1177.5000114I91 S94 L95 W124 I127 I136 Y137I91-L140 HydrophobicContact CG2-CD2 4.35Å; S94-L140 WeakPolarHBondContact OG-CD1 3.28Å; L95-L140 HydrophobicContact CD2-CD2 3.94Å; L95-L140 HydrophobicContact CG-CD2 3.92Å; W124-L140 HydrophobicContact CH2-CD1 4.35Å; W124-L140 HydrophobicContact CZ2-CD1 4.14Å; I127-L140 HydrophobicContact CD1-CD1 4.05Å; I136-L140 HydrophobicContact CG2-CD1 3.76Å; I136-L140 HydrophobicContact CG2-CG 4.33Å; I136-L140 WeakPolarHBondContact O-CG 3.45Å; I136-L140 PolarHBondContact O-N 3.16Å; I136-L140 VanDerWaalsContact O-N 3.08Å; Y137-L140 PolarHBondContact O-N 3.36Å; Y137-L140 VanDerWaalsContact O-N 3.12Å
141D85Confident91.4Very high171 Ų17157.8 Ų57.891%0.91433%0.325SS*.  trans-68.10170.2-166-110.7000111.7N77 Y137N77-D141 WeakPolarHBondContact CB-OXT 3.37Å; N77-D141 PolarHBondContact ND2-OXT 3.05Å; Y137-D141 PolarHBondContact O-N 3.32Å

Retrieved 141 of 141 residues in 165.3 ms (Link to these results)

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