A0A077ZHD1_TRITR Loading...

Small ribosomal subunit protein uS12

AlphaFold DB , UniProt , Accession A0A077ZHD1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 143 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
1M58.6Low90.2Very high255 Ų255133.5 Ų133.5100%1.25669%0.687SS**  01290-75.1-175.4-16900109.9
2G84.4Confident90.6Very high73 Ų73134.7 Ų134.775%0.75368%0.683SS**  trans-125.6-171-170.400000114.6
3K90.3Very high91Very high137 Ų137129.1 Ų129.160%0.59666%0.655SS**  trans-60.5139.117259.6-175.3171.9179.50110.6K5 L13 R16K3-K5 PolarHBondContact O-N 2.86Å; K3-L13 HydrophobicContact CB-CD2 4.15Å; K3-R16 VanDerWaalsContact CB-NH2 3.26Å
4P92.9Very high91.4Very high40 Ų40134.6 Ų134.626%0.2666%0.664SS.*  trans-62.2134.9176.327.2-34.6000109.8A9 K12 L13P4-A9 HydrophobicContact CB-CB 3.86Å; P4-A9 HydrophobicContact CG-CB 4.12Å; P4-K12 HydrophobicContact CG-CD 4.11Å; P4-K12 HydrophobicContact CG-CG 4.22Å; P4-L13 HydrophobicContact CG-CD2 3.81Å; P4-L13 HydrophobicContact CG-CG 4.17Å
5K94.1Very high91.8Very high199 Ų199128.7 Ų128.787%0.86564%0.639SS**  trans-108.8-1.5-176.6-63.3-175.5-179.7-179.50114K3K3-K5 PolarHBondContact O-N 2.86Å
6G93.9Very high92Very high50 Ų50127.1 Ų127.152%0.51562%0.623SS.*SBendtrans-68.8146.4-178.700000112.8R8 A9G6-R8 PolarHBondContact O-N 2.67Å; G6-R8 VanDerWaalsContact O-N 3.17Å; G6-A9 WeakPolarHBondContact O-CB 3.43Å; G6-A9 PolarHBondContact O-N 2.88Å
7I94.3Very high92.2Very high171 Ų171129.3 Ų129.388%0.87762%0.623SS**THydrogen-bonded Turntrans-58-30.1-177.6-167.6167.3000113.4
8R95.6Very high92.4Very high244 Ų244130.1 Ų130.192%0.92162%0.618SS**THydrogen-bonded Turntrans-91.512.2176.8-61.8-177.2179.9170.5-0.6114.5G6G6-R8 PolarHBondContact O-N 2.67Å; G6-R8 VanDerWaalsContact O-N 3.17Å
9A95.3Very high92.6Very high16 Ų16128.7 Ų128.713%0.13261%0.611CS.*  trans-89.86.3-175.400000115.4P4 G6 R11 K12 L13P4-A9 HydrophobicContact CB-CB 3.86Å; P4-A9 HydrophobicContact CG-CB 4.12Å; G6-A9 WeakPolarHBondContact O-CB 3.43Å; G6-A9 PolarHBondContact O-N 2.88Å; A9-R11 PolarHBondContact O-N 3.41Å; A9-K12 PolarHBondContact O-N 3.1Å; A9-L13 PolarHBondContact O-N 2.89Å; A9-L13 VanDerWaalsContact O-N 3.12Å
10A95.9Very high92.8Very high69 Ų69127.4 Ų127.457%0.5761%0.605SS**Hα-helixtrans-55-44.5-172.600000113.8K12 L13 R14A10-K12 PolarHBondContact O-N 3.19Å; A10-L13 PolarHBondContact O-N 3.46Å; A10-R14 PolarHBondContact O-N 3.41Å
11R96.6Very high92.9Very high214 Ų214126.3 Ų126.381%0.80860%0.595SS**Hα-helixtrans-59-47.5179.1-174.5-177.7-69.2164.9-1.7111.6A9 L13 R14 T15A9-R11 PolarHBondContact O-N 3.41Å; R11-L13 PolarHBondContact O-N 3.19Å; R11-R14 PolarHBondContact O-N 2.93Å; R11-T15 PolarHBondContact O-N 3.03Å; R11-T15 PolarHBondContact O-OG1 3.14Å
12K95.4Very high94.7Very high148 Ų148119.3 Ų119.364%0.64355%0.554SS**Hα-helixtrans-62-42.6179.1-174.8166.5-179171.30111.4P4 A9 A10 R16P4-K12 HydrophobicContact CG-CD 4.11Å; P4-K12 HydrophobicContact CG-CG 4.22Å; A9-K12 PolarHBondContact O-N 3.1Å; A10-K12 PolarHBondContact O-N 3.19Å; K12-R16 VanDerWaalsContact O-CB 3.27Å; K12-R16 WeakPolarHBondContact O-CB 3.46Å; K12-R16 PolarHBondContact O-N 3Å
13L96.4Very high95.3Very high62 Ų62122.9 Ų122.933%0.32555%0.551SS.*Hα-helixtrans-62.5-43.8176.6-68.9173.8000112.2K3 P4 A9 A10 R11 R17K3-L13 HydrophobicContact CB-CD2 4.15Å; P4-L13 HydrophobicContact CG-CD2 3.81Å; P4-L13 HydrophobicContact CG-CG 4.17Å; A9-L13 PolarHBondContact O-N 2.89Å; A9-L13 VanDerWaalsContact O-N 3.12Å; A10-L13 PolarHBondContact O-N 3.46Å; R11-L13 PolarHBondContact O-N 3.19Å; L13-R17 PolarHBondContact O-N 3.26Å
14R96.7Very high95.5Very high207 Ų207120 Ų12078%0.78154%0.542SS*.Hα-helixtrans-64.4-49.9178.1-176.6180175.5-170.1-0.7112.1A10 R11 R16 R17 R18A10-R14 PolarHBondContact O-N 3.41Å; R11-R14 PolarHBondContact O-N 2.93Å; R14-R16 PolarHBondContact O-N 3.45Å; R14-R17 PolarHBondContact O-N 3.08Å; R14-R18 PolarHBondContact O-N 3.32Å
15T96.2Very high95.5Very high45 Ų45126 Ų12628%0.27656%0.564SS.*Hα-helixtrans-60-48179.8-61.70000110.8R11 R17 R18 E19R11-T15 PolarHBondContact O-N 3.03Å; R11-T15 PolarHBondContact O-OG1 3.14Å; T15-R17 VanDerWaalsContact C-N 3.34Å; T15-R17 PolarHBondContact O-N 3.28Å; T15-R18 WeakPolarHBondContact O-CB 3.49Å; T15-R18 PolarHBondContact O-N 3.03Å; T15-E19 VanDerWaalsContact CG2-OE1 3.29Å; T15-E19 WeakPolarHBondContact CG2-OE1 3.18Å; T15-E19 PolarHBondContact O-N 3.43Å
16R95.5Very high95.5Very high104 Ų104120.6 Ų120.639%0.39255%0.552SS.*Hα-helixtrans-57.4-45.4176.4-171.2-178.572.21579.8111.8K3 K12 R14 R18 E19 Q20K3-R16 VanDerWaalsContact CB-NH2 3.26Å; K12-R16 VanDerWaalsContact O-CB 3.27Å; K12-R16 WeakPolarHBondContact O-CB 3.46Å; K12-R16 PolarHBondContact O-N 3Å; R14-R16 PolarHBondContact O-N 3.45Å; R16-R18 VanDerWaalsContact C-N 3.3Å; R16-R18 PolarHBondContact O-N 3.45Å; R16-E19 PolarHBondContact O-N 3.4Å; R16-Q20 HydrophobicContact CG-CG 4.24Å; R16-Q20 VanDerWaalsContact O-CB 3.3Å; R16-Q20 WeakPolarHBondContact O-CB 3.44Å; R16-Q20 WeakPolarHBondContact O-CG 3.28Å; R16-Q20 PolarHBondContact O-N 2.98Å
17R95.6Very high95.5Very high164 Ų164121 Ų12162%0.61954%0.538SS*.Hα-helixtrans-64.8-34.6177.8-177.357.4173.6173.1-0.7112.2L13 R14 T15 R21L13-R17 PolarHBondContact O-N 3.26Å; R14-R17 PolarHBondContact O-N 3.08Å; T15-R17 VanDerWaalsContact C-N 3.34Å; T15-R17 PolarHBondContact O-N 3.28Å; R17-R21 WeakPolarHBondContact O-CB 3.3Å; R17-R21 WeakPolarHBondContact O-CG 3.29Å; R17-R21 PolarHBondContact O-N 3.28Å
18R96.1Very high95.5Very high143 Ų143118.1 Ų118.154%0.5452%0.519SS..Hα-helixtrans-66.4-46.4176.4-176.1-17967.1-177.31.3111.4R14 T15 R16 R21 W22R14-R18 PolarHBondContact O-N 3.32Å; T15-R18 WeakPolarHBondContact O-CB 3.49Å; T15-R18 PolarHBondContact O-N 3.03Å; R16-R18 VanDerWaalsContact C-N 3.3Å; R16-R18 PolarHBondContact O-N 3.45Å; R18-R21 PolarHBondContact O-N 2.85Å; R18-W22 VanDerWaalsContact O-CD1 3.23Å
19E96Very high95.2Very high104 Ų104111.1 Ų111.149%0.48650%0.495SS..Hα-helixtrans-62-48.1175.8-71.8163.9-175.700110.8T15 R16 R21 W22T15-E19 VanDerWaalsContact CG2-OE1 3.29Å; T15-E19 WeakPolarHBondContact CG2-OE1 3.18Å; T15-E19 PolarHBondContact O-N 3.43Å; R16-E19 PolarHBondContact O-N 3.4Å; E19-R21 PolarHBondContact O-N 2.93Å; E19-W22 WeakPolarHBondContact O-CB 3.38Å; E19-W22 PolarHBondContact O-N 3.25Å
20Q95.8Very high95Very high102 Ų102113.1 Ų113.148%0.47751%0.512SS..Hα-helixtrans-65-27.6-178.7-68.4-62.2-41.600113.5R16 W22 H23R16-Q20 HydrophobicContact CG-CG 4.24Å; R16-Q20 VanDerWaalsContact O-CB 3.3Å; R16-Q20 WeakPolarHBondContact O-CB 3.44Å; R16-Q20 WeakPolarHBondContact O-CG 3.28Å; R16-Q20 PolarHBondContact O-N 2.98Å; Q20-W22 PolarHBondContact O-N 2.82Å; Q20-H23 PolarHBondContact O-N 2.95Å; Q20-H23 VanDerWaalsContact O-N 3.13Å; Q20-H23 PolarHBondContact OE1-CD2 3.05Å
21R96.7Very high94.8Very high105 Ų105113.9 Ų113.940%0.39651%0.507SS..Hα-helixtrans-60.5-28.6173.8-92-168.7-98.9-176.7-8.7112.7R17 R18 E19 H23 D24 Y27R17-R21 WeakPolarHBondContact O-CB 3.3Å; R17-R21 WeakPolarHBondContact O-CG 3.29Å; R17-R21 PolarHBondContact O-N 3.28Å; R18-R21 PolarHBondContact O-N 2.85Å; E19-R21 PolarHBondContact O-N 2.93Å; R21-H23 PolarHBondContact O-N 2.73Å; R21-D24 WeakPolarHBondContact O-CB 3.49Å; R21-D24 PolarHBondContact O-N 3.4Å; R21-D24 VanDerWaalsContact O-N 3.11Å; R21-Y27 HydrophobicContact CB-CD1 3.84Å; R21-Y27 HydrophobicContact CB-CD2 4.34Å; R21-Y27 HydrophobicContact CB-CE1 3.82Å; R21-Y27 HydrophobicContact CB-CE2 4.32Å; R21-Y27 HydrophobicContact CB-CG 4.11Å; R21-Y27 HydrophobicContact CG-CD2 4.43Å; R21-Y27 HydrophobicContact CG-CE2 4.43Å; R21-Y27 WeakPolarHBondContact O-CB 3.25Å; R21-Y27 WeakPolarHBondContact O-CD1 3.38Å
22W96.2Very high94.6Very high109 Ų109108.8 Ų108.841%0.41350%0.495SS..THydrogen-bonded Turntrans-71.3-16.5178.2-69.2106.9000114R18 E19 Q20 D24 Y27 K28 N31R18-W22 VanDerWaalsContact O-CD1 3.23Å; E19-W22 WeakPolarHBondContact O-CB 3.38Å; E19-W22 PolarHBondContact O-N 3.25Å; Q20-W22 PolarHBondContact O-N 2.82Å; W22-D24 VanDerWaalsContact C-N 3.32Å; W22-Y27 HydrophobicContact CD2-CD1 4.41Å; W22-Y27 HydrophobicContact CD2-CE1 4.09Å; W22-Y27 HydrophobicContact CE3-CD1 4.33Å; W22-Y27 HydrophobicContact CE3-CE1 4.28Å; W22-Y27 HydrophobicContact CZ2-CE1 4.39Å; W22-K28 HydrophobicContact CE3-CG 4.36Å; W22-N31 HydrophobicContact CH2-CB 3.78Å; W22-N31 HydrophobicContact CZ3-CB 3.94Å
23H95.3Very high94.3Very high147 Ų147102.5 Ų102.568%0.68147%0.472SS*.THydrogen-bonded Turntrans-79.7-15.2170.8-60.6-64.6000112.7Q20 R21 K25Q20-H23 PolarHBondContact O-N 2.95Å; Q20-H23 VanDerWaalsContact O-N 3.13Å; Q20-H23 PolarHBondContact OE1-CD2 3.05Å; R21-H23 PolarHBondContact O-N 2.73Å; H23-K25 PolarHBondContact O-N 3.29Å
24D95.7Very high93.8Very high77 Ų77101.9 Ų101.941%0.41247%0.471SS..SBendtrans-75.2120.3169.8-176.6-82.4000110.3R21 W22 S26 Y27 K28R21-D24 WeakPolarHBondContact O-CB 3.49Å; R21-D24 PolarHBondContact O-N 3.4Å; R21-D24 VanDerWaalsContact O-N 3.11Å; W22-D24 VanDerWaalsContact C-N 3.32Å; D24-S26 VanDerWaalsContact C-N 3.29Å; D24-S26 PolarHBondContact O-N 2.66Å; D24-S26 WeakPolarHBondContact OD1-CA 3.49Å; D24-S26 WeakPolarHBondContact OD1-CB 3.31Å; D24-S26 PolarHBondContact OD1-N 2.79Å; D24-S26 PolarHBondContact OD1-OG 3.39Å; D24-Y27 PolarHBondContact O-N 3.47Å; D24-Y27 PolarHBondContact OD1-N 2.9Å; D24-K28 WeakPolarHBondContact O-CB 3.39Å; D24-K28 PolarHBondContact O-N 2.84Å
25K93.5Very high93.1Very high165 Ų16598.9 Ų98.972%0.71746%0.459SS*.Hα-helixtrans-61.3-36.8-176.4-175.8176.7-177.81750112.7H23 K29H23-K25 PolarHBondContact O-N 3.29Å; K25-K29 WeakPolarHBondContact O-CB 3.41Å; K25-K29 PolarHBondContact O-N 2.71Å
26S92.4Very high92.7Very high86 Ų86104.5 Ų104.560%0.60148%0.476SS*.Hα-helixtrans-72.2-43.4-178.5770000110.8D24 K29 A30D24-S26 VanDerWaalsContact C-N 3.29Å; D24-S26 PolarHBondContact O-N 2.66Å; D24-S26 WeakPolarHBondContact OD1-CA 3.49Å; D24-S26 WeakPolarHBondContact OD1-CB 3.31Å; D24-S26 PolarHBondContact OD1-N 2.79Å; D24-S26 PolarHBondContact OD1-OG 3.39Å; S26-K29 PolarHBondContact O-N 3.15Å; S26-A30 WeakPolarHBondContact O-CB 3.46Å; S26-A30 PolarHBondContact O-N 3.46Å
27Y94.7Very high92.4Very high59 Ų59108.1 Ų108.123%0.23149%0.494CS..Hα-helixtrans-61-48174.4-173.9-91.3000110.8R21 W22 D24 K29 A30 N31R21-Y27 HydrophobicContact CB-CD1 3.84Å; R21-Y27 HydrophobicContact CB-CD2 4.34Å; R21-Y27 HydrophobicContact CB-CE1 3.82Å; R21-Y27 HydrophobicContact CB-CE2 4.32Å; R21-Y27 HydrophobicContact CB-CG 4.11Å; R21-Y27 HydrophobicContact CG-CD2 4.43Å; R21-Y27 HydrophobicContact CG-CE2 4.43Å; R21-Y27 WeakPolarHBondContact O-CB 3.25Å; R21-Y27 WeakPolarHBondContact O-CD1 3.38Å; W22-Y27 HydrophobicContact CD2-CD1 4.41Å; W22-Y27 HydrophobicContact CD2-CE1 4.09Å; W22-Y27 HydrophobicContact CE3-CD1 4.33Å; W22-Y27 HydrophobicContact CE3-CE1 4.28Å; W22-Y27 HydrophobicContact CZ2-CE1 4.39Å; D24-Y27 PolarHBondContact O-N 3.47Å; D24-Y27 PolarHBondContact OD1-N 2.9Å; Y27-K29 PolarHBondContact O-N 3.03Å; Y27-A30 PolarHBondContact O-N 2.82Å; Y27-N31 WeakPolarHBondContact CD1-ND2 2.94Å; Y27-N31 VanDerWaalsContact CD2-ND2 3.28Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.21Å; Y27-N31 HydrophobicContact CE1-CB 4.4Å; Y27-N31 WeakPolarHBondContact CE1-ND2 3.36Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.48Å; Y27-N31 VanDerWaalsContact CZ-ND2 3.28Å; Y27-N31 WeakPolarHBondContact O-CB 3.26Å; Y27-N31 PolarHBondContact O-N 2.81Å; Y27-N31 PolarHBondContact O-ND2 2.85Å
28K94.4Very high92.1Very high110 Ų110104 Ų10448%0.47849%0.49SS..Hα-helixtrans-58.4-48.6177.1-171.9174-176.5175.70111.3W22 D24 A30 N31 L32W22-K28 HydrophobicContact CE3-CG 4.36Å; D24-K28 WeakPolarHBondContact O-CB 3.39Å; D24-K28 PolarHBondContact O-N 2.84Å; K28-A30 VanDerWaalsContact C-N 3.3Å; K28-A30 PolarHBondContact O-N 3.27Å; K28-N31 PolarHBondContact O-N 2.83Å; K28-L32 WeakPolarHBondContact O-CB 3.24Å; K28-L32 PolarHBondContact O-N 2.89Å
29K90.1Very high91.9Very high97 Ų9799.4 Ų99.442%0.42248%0.477SS..Hα-helixtrans-63.8-33.9-179.4-170.8174.4-179.1178.80113K25 S26 Y27 K108K25-K29 WeakPolarHBondContact O-CB 3.41Å; K25-K29 PolarHBondContact O-N 2.71Å; S26-K29 PolarHBondContact O-N 3.15Å; Y27-K29 PolarHBondContact O-N 3.03Å; K29-K108 PolarHBondContact NZ-O 3.41Å
30A89.6Confident91.9Very high59 Ų5995.6 Ų95.649%0.48846%0.461SS..Hα-helixtrans-73.2-43.9177.700000112.2S26 Y27 K28S26-A30 WeakPolarHBondContact O-CB 3.46Å; S26-A30 PolarHBondContact O-N 3.46Å; Y27-A30 PolarHBondContact O-N 2.82Å; K28-A30 VanDerWaalsContact C-N 3.3Å; K28-A30 PolarHBondContact O-N 3.27Å
31N92.9Very high91.8Very high85 Ų8591 Ų9146%0.45544%0.44SS..Hα-helixtrans-90-19.7-172.6-65.5-77.3000114.2W22 Y27 K28 G33W22-N31 HydrophobicContact CH2-CB 3.78Å; W22-N31 HydrophobicContact CZ3-CB 3.94Å; Y27-N31 WeakPolarHBondContact CD1-ND2 2.94Å; Y27-N31 VanDerWaalsContact CD2-ND2 3.28Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.21Å; Y27-N31 HydrophobicContact CE1-CB 4.4Å; Y27-N31 WeakPolarHBondContact CE1-ND2 3.36Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.48Å; Y27-N31 VanDerWaalsContact CZ-ND2 3.28Å; Y27-N31 WeakPolarHBondContact O-CB 3.26Å; Y27-N31 PolarHBondContact O-N 2.81Å; Y27-N31 PolarHBondContact O-ND2 2.85Å; K28-N31 PolarHBondContact O-N 2.83Å; N31-G33 PolarHBondContact O-N 3.42Å
32L91.8Very high91.6Very high107 Ų10787.9 Ų87.956%0.5644%0.44SS*.THydrogen-bonded Turntrans-79.2-4.7176.1-153.694.7000113K28 T34K28-L32 WeakPolarHBondContact O-CB 3.24Å; K28-L32 PolarHBondContact O-N 2.89Å; L32-T34 PolarHBondContact O-N 2.96Å
33G88.8Confident91.3Very high16 Ų1683.3 Ų83.317%0.16543%0.426CS..  trans69.110.1-178.900000115.9N31 R35 W36 K37N31-G33 PolarHBondContact O-N 3.42Å; G33-R35 PolarHBondContact O-N 3.13Å; G33-W36 VanDerWaalsContact CA-CZ3 3.44Å; G33-W36 PolarHBondContact O-N 3.44Å; G33-K37 PolarHBondContact O-N 3.46Å
34T85.9Confident91.2Very high48 Ų4878.6 Ų78.629%0.29441%0.413SS..Hα-helixtrans-55.4-29.6178.2-45.40000112.6L32 W36 S38L32-T34 PolarHBondContact O-N 2.96Å; T34-W36 PolarHBondContact O-N 2.84Å; T34-S38 PolarHBondContact O-N 2.85Å
35R83.2Confident91.2Very high144 Ų14479.3 Ų79.354%0.54342%0.424SS..Hα-helixtrans-58.7-32.6176.3179.5177.4176.5176.1-2112.8G33 N39 G43G33-R35 PolarHBondContact O-N 3.13Å; R35-N39 WeakPolarHBondContact O-CB 3.16Å; R35-G43 PolarHBondContact NH2-O 3.37Å
36W86.7Confident91.4Very high163 Ų16375.5 Ų75.562%0.61741%0.409SS*.Hα-helixtrans-94.3-41.7-177.7-53.8-68.4000111.5G33 T34G33-W36 VanDerWaalsContact CA-CZ3 3.44Å; G33-W36 PolarHBondContact O-N 3.44Å; T34-W36 PolarHBondContact O-N 2.84Å
37K88.3Confident91.6Very high180 Ų18071.7 Ų71.778%0.78338%0.382SS*.Hα-helixtrans-70.3-50.5-177.4-169.8173.6-178175.60112.9G33 K79G33-K37 PolarHBondContact O-N 3.46Å; K37-K79 PolarHBondContact O-NZ 2.9Å
38S90.9Very high91.8Very high77 Ų7773 Ų7354%0.53839%0.389SS..THydrogen-bonded Turntrans-98-21.7-167.1-49.30000113.7T34 P40T34-S38 PolarHBondContact O-N 2.85Å; S38-P40 WeakPolarHBondContact O-CD 3.32Å
39N91.9Very high91.9Very high47 Ų4767.7 Ų67.725%0.25137%0.366SS..  trans-71.6126.2179.5-173.5-5.1000110.3R35 F41 G42R35-N39 WeakPolarHBondContact O-CB 3.16Å; N39-F41 PolarHBondContact O-N 3.17Å; N39-F41 VanDerWaalsContact O-N 3.14Å; N39-F41 PolarHBondContact OD1-N 3.18Å; N39-G42 PolarHBondContact O-N 2.91Å
40P94.4Very high92.3Very high25 Ų2566.4 Ų66.416%0.16236%0.363CS..THydrogen-bonded Turntrans-54.1-32172.3-26.835.5000113.1S38 G42 L74 N77 K79 I81 F120S38-P40 WeakPolarHBondContact O-CD 3.32Å; P40-G42 VanDerWaalsContact C-N 3.32Å; P40-G42 PolarHBondContact O-N 2.86Å; P40-L74 HydrophobicContact CB-CD1 3.94Å; P40-L74 VanDerWaalsContact O-CD1 3.25Å; P40-L74 WeakPolarHBondContact O-CD1 3.5Å; P40-N77 PolarHBondContact O-ND2 2.84Å; P40-K79 HydrophobicContact CB-CD 4.45Å; P40-I81 HydrophobicContact CB-CG2 3.67Å; P40-I81 HydrophobicContact CG-CG2 3.97Å; P40-F120 HydrophobicContact CB-CZ 4.17Å; P40-F120 HydrophobicContact CG-CE2 4.17Å; P40-F120 HydrophobicContact CG-CZ 3.93Å
41F94.8Very high92.7Very high6 Ų663.6 Ų63.63%0.02634%0.34CS..THydrogen-bonded Turntrans-83.5-1.3179.1-729.7000113.8N39 G43 A44 A47 L74 K76 I81 V102 F120N39-F41 PolarHBondContact O-N 3.17Å; N39-F41 VanDerWaalsContact O-N 3.14Å; N39-F41 PolarHBondContact OD1-N 3.18Å; F41-G43 PolarHBondContact O-N 2.93Å; F41-G43 VanDerWaalsContact O-N 3.08Å; F41-A44 WeakPolarHBondContact O-CB 3.5Å; F41-A44 PolarHBondContact O-N 2.76Å; F41-A44 VanDerWaalsContact O-N 3.07Å; F41-A47 HydrophobicContact CD1-CB 3.59Å; F41-A47 HydrophobicContact CE1-CB 3.63Å; F41-A47 HydrophobicContact CG-CB 4.06Å; F41-A47 HydrophobicContact CZ-CB 4.12Å; F41-L74 HydrophobicContact CD1-CD1 3.97Å; F41-L74 HydrophobicContact CE1-CD1 4.26Å; F41-L74 HydrophobicContact CE1-CD2 4.35Å; F41-K76 VanDerWaalsContact C-NZ 3.27Å; F41-K76 PolarHBondContact O-NZ 3.32Å; F41-I81 HydrophobicContact CE1-CD1 3.96Å; F41-V102 HydrophobicContact CE1-CG1 4.4Å; F41-V102 HydrophobicContact CZ-CB 4.07Å; F41-V102 HydrophobicContact CZ-CG1 3.89Å; F41-V102 WeakPolarHBondContact CZ-O 3.39Å; F41-F120 HydrophobicContact CD1-CD1 4.48Å; F41-F120 AromaticContact CD1-CE1 3.91Å; F41-F120 HydrophobicContact CD1-CE1 3.91Å; F41-F120 HydrophobicContact CD1-CZ 4.35Å; F41-F120 HydrophobicContact CD2-CE1 4.22Å; F41-F120 AromaticContact CE1-CD1 3.72Å; F41-F120 HydrophobicContact CE1-CD1 3.72Å; F41-F120 AromaticContact CE1-CE1 3.58Å; F41-F120 HydrophobicContact CE1-CE1 3.58Å; F41-F120 HydrophobicContact CE1-CG 4.42Å; F41-F120 HydrophobicContact CE1-CZ 4.18Å; F41-F120 AromaticContact CE2-CD1 3.9Å; F41-F120 HydrophobicContact CE2-CD1 3.9Å; F41-F120 AromaticContact CE2-CE1 3.93Å; F41-F120 HydrophobicContact CE2-CE1 3.93Å; F41-F120 HydrophobicContact CG-CE1 4.22Å; F41-F120 AromaticContact CZ-CD1 3.38Å; F41-F120 HydrophobicContact CZ-CD1 3.38Å; F41-F120 AromaticContact CZ-CE1 3.6Å; F41-F120 HydrophobicContact CZ-CE1 3.6Å; F41-F120 HydrophobicContact CZ-CG 4.25Å
42G91.4Very high92.9Very high38 Ų3862.1 Ų62.139%0.39233%0.332SS..THydrogen-bonded Turntrans57.626-18000000113.8N39 P40N39-G42 PolarHBondContact O-N 2.91Å; P40-G42 VanDerWaalsContact C-N 3.32Å; P40-G42 PolarHBondContact O-N 2.86Å
43G90.5Very high93.2Very high13 Ų1360.7 Ų60.713%0.13432%0.322CS..THydrogen-bonded Turntrans91.7-9.1-178.600000116.1R35 F41R35-G43 PolarHBondContact NH2-O 3.37Å; F41-G43 PolarHBondContact O-N 2.93Å; F41-G43 VanDerWaalsContact O-N 3.08Å
44A94.3Very high93.6Very high49 Ų4963.5 Ų63.541%0.40533%0.33SS..  trans-70.1159.6174.200000112.6F41F41-A44 WeakPolarHBondContact O-CB 3.5Å; F41-A44 PolarHBondContact O-N 2.76Å; F41-A44 VanDerWaalsContact O-N 3.07Å
45S95.2Very high94.1Very high92 Ų9262.7 Ų62.764%0.64333%0.325SS*.SBendtrans-75.3-37.9177.357.20000112.7
46H96.9Very high94.8Very high84 Ų8458.3 Ų58.339%0.38932%0.324SS..EExtended strand (participates in β ladder)trans-131.2160.1-178.8-60.478.7000110.6L101 V102 A103H46-L101 HydrophobicContact CB-CD1 4.05Å; H46-L101 HydrophobicContact CB-CG 4.49Å; H46-V102 VanDerWaalsContact CA-O 3.3Å; H46-V102 WeakPolarHBondContact CA-O 3.42Å; H46-A103 VanDerWaalsContact CD2-CB 3.47Å; H46-A103 WeakPolarHBondContact CD2-CB 3.25Å
47A97.1Very high95.3Very high6 Ų651.7 Ų51.75%0.0530%0.302CS..EExtended strand (participates in β ladder)trans-143.6141.7170.200000110.4F41 L74 V102F41-A47 HydrophobicContact CD1-CB 3.59Å; F41-A47 HydrophobicContact CE1-CB 3.63Å; F41-A47 HydrophobicContact CG-CB 4.06Å; F41-A47 HydrophobicContact CZ-CB 4.12Å; A47-L74 HydrophobicContact CB-CD1 4.22Å; A47-L74 HydrophobicContact CB-CD2 3.64Å; A47-V102 PolarHBondContact N-O 3.06Å; A47-V102 PolarHBondContact O-N 3.01Å
48K97.8Very high95.7Very high86 Ų8649.6 Ų49.637%0.37430%0.295SS..EExtended strand (participates in β ladder)trans-85.9142.8172.4-171-174.1-88.6-136.70109.3I75 E99 V100K48-I75 HydrophobicContact CB-CD1 4.45Å; K48-I75 HydrophobicContact CD-CD1 3.75Å; K48-I75 HydrophobicContact CG-CD1 3.77Å; K48-I75 PolarHBondContact O-N 3.44Å; K48-E99 HydrophobicContact CD-CG 3.94Å; K48-E99 WeakPolarHBondContact CD-OE1 3.43Å; K48-E99 VanDerWaalsContact CE-CD 3.49Å; K48-E99 WeakPolarHBondContact CE-OE1 3.31Å; K48-E99 HydrophobicContact CG-CG 3.77Å; K48-E99 WeakPolarHBondContact CG-OE1 3.42Å; K48-E99 IonicContact NZ-OE1 2.86Å; K48-E99 PolarHBondContact NZ-OE1 3.36Å; K48-E99 IonicContact NZ-OE2 3.94Å; K48-E99 PolarHBondContact NZ-OE2 2.88Å; K48-V100 WeakPolarHBondContact CA-O 3.38Å
49G97.8Very high96Very high0 Ų046.3 Ų46.30%027%0.272CS..EExtended strand (participates in β ladder)trans-153.7168.2-179.700000112.3Q73 E99 V100G49-Q73 CarbonylContact C-O 3.57Å; G49-Q73 WeakPolarHBondContact CA-O 3.44Å; G49-E99 WeakPolarHBondContact O-CA 3.46Å; G49-V100 PolarHBondContact N-O 3.13Å; G49-V100 WeakPolarHBondContact O-CG2 3.35Å; G49-V100 PolarHBondContact O-N 3.41Å
50I98Very high96.2Very high70 Ų7049 Ų4936%0.35928%0.281SS..EExtended strand (participates in β ladder)trans-106.3136.1177.1-61.8170.4000108.2V72 Q73 I75 D98I50-V72 CarbonylContact O-C 3.53Å; I50-V72 VanDerWaalsContact O-CA 3.31Å; I50-V72 WeakPolarHBondContact O-CA 3.48Å; I50-Q73 PolarHBondContact N-O 2.89Å; I50-Q73 PolarHBondContact O-N 2.78Å; I50-I75 HydrophobicContact CD1-CG1 4.27Å; I50-I75 HydrophobicContact CG1-CD1 4.26Å; I50-I75 HydrophobicContact CG1-CG1 4.06Å; I50-D98 WeakPolarHBondContact CA-O 3.22Å
51V98.1Very high96.2Very high0 Ų054.8 Ų54.80%031%0.307CS..EExtended strand (participates in β ladder)trans-72.2129.1175.6172.20000110.2V70 I94 E95 N97 D98 V100V51-V70 HydrophobicContact CB-CG1 3.99Å; V51-V70 HydrophobicContact CG1-CG1 3.2Å; V51-V70 HydrophobicContact CG2-CG1 3.72Å; V51-I94 HydrophobicContact CB-CG2 4.5Å; V51-I94 HydrophobicContact CG1-CG2 4.31Å; V51-I94 HydrophobicContact CG2-CG2 3.75Å; V51-E95 WeakPolarHBondContact CB-O 3.22Å; V51-E95 WeakPolarHBondContact CG1-O 3.32Å; V51-N97 WeakPolarHBondContact O-CA 3.06Å; V51-N97 PolarHBondContact O-N 3.08Å; V51-D98 HydrophobicContact CG2-CB 4.37Å; V51-D98 PolarHBondContact N-O 2.66Å; V51-V100 HydrophobicContact CG2-CB 4.42Å; V51-V100 HydrophobicContact CG2-CG1 3.6Å; V51-V100 HydrophobicContact CG2-CG2 3.9Å
52L97.9Very high96.3Very high54 Ų5460.4 Ų60.428%0.28334%0.343SS..EExtended strand (participates in β ladder)trans-95.6-49.3174.2-61.6178.8000111.7R71 Q73 K80L52-R71 HydrophobicContact CB-CB 4.3Å; L52-R71 HydrophobicContact CD1-CG 4.25Å; L52-R71 PolarHBondContact N-O 2.83Å; L52-Q73 HydrophobicContact CD1-CB 4.11Å; L52-Q73 HydrophobicContact CD2-CB 4.23Å; L52-Q73 HydrophobicContact CG-CB 4.18Å; L52-K80 HydrophobicContact CD1-CD 3.92Å; L52-K80 HydrophobicContact CD1-CG 4.08Å
53E97.5Very high96.5Very high76 Ų7662.1 Ų62.136%0.35534%0.343SS..EExtended strand (participates in β ladder)trans-158.2155.1-175.860.2-177.8161.500110.7V55 V70 R71E53-V55 HydrophobicContact CG-CG2 3.91Å; E53-V70 WeakPolarHBondContact O-CG1 3.34Å; E53-R71 HydrophobicContact CG-CB 3.58Å; E53-R71 HydrophobicContact CG-CG 4.43Å; E53-R71 PolarHBondContact O-N 3.06Å; E53-R71 IonicContact OE1-CZ 3.21Å; E53-R71 IonicContact OE1-NE 2.66Å; E53-R71 PolarHBondContact OE1-NE 2.91Å; E53-R71 IonicContact OE1-NH2 3.73Å; E53-R71 PolarHBondContact OE1-NH2 2.8Å
54K97.6Very high96.7Very high76 Ų7667.1 Ų67.133%0.3338%0.377SS..EExtended strand (participates in β ladder)trans-85.4127.2172.9-60175.9-166.5-177.60108.8L91 I94 E95K54-L91 HydrophobicContact CB-CD1 4.32Å; K54-L91 HydrophobicContact CB-CD2 4.49Å; K54-L91 HydrophobicContact CD-CD1 4.26Å; K54-L91 HydrophobicContact CD-CD2 4.43Å; K54-L91 HydrophobicContact CD-CG 4.2Å; K54-L91 HydrophobicContact CG-CD1 4.09Å; K54-I94 WeakPolarHBondContact CE-O 3.49Å; K54-I94 PolarHBondContact NZ-O 3.36Å; K54-E95 IonicContact NZ-OE1 2.64Å; K54-E95 PolarHBondContact NZ-OE1 3.35Å; K54-E95 IonicContact NZ-OE2 3.07Å; K54-E95 PolarHBondContact NZ-OE2 3.29Å
55V97Very high96.8Very high31 Ų3166.4 Ų66.419%0.18837%0.371CS..EExtended strand (participates in β ladder)trans-121.5127.1-175-176.80000110.5E53 V57 C69 R71E53-V55 HydrophobicContact CG-CG2 3.91Å; V55-V57 HydrophobicContact CG1-CG2 4.02Å; V55-C69 PolarHBondContact N-O 3.02Å; V55-C69 CarbonylContact O-C 3.52Å; V55-C69 WeakPolarHBondContact O-CA 3.44Å; V55-C69 WeakPolarHBondContact O-CB 3.4Å; V55-C69 PolarHBondContact O-N 2.97Å; V55-R71 HydrophobicContact CG2-CB 4.22Å
56G96.6Very high96.8Very high51 Ų5167.2 Ų67.253%0.52637%0.367SS..EExtended strand (participates in β ladder)trans-86.7117.6165.500000110.5
57V96.8Very high96.8Very high24 Ų2467 Ų6715%0.14536%0.362CS..EExtended strand (participates in β ladder)trans-104.5123.2176.1-178.60000109V55 R67 C69 I115 P116 V118V55-V57 HydrophobicContact CG1-CG2 4.02Å; V57-R67 HydrophobicContact CB-CB 4.49Å; V57-R67 PolarHBondContact N-O 2.89Å; V57-R67 WeakPolarHBondContact O-CA 3.3Å; V57-R67 WeakPolarHBondContact O-CB 3.24Å; V57-R67 PolarHBondContact O-N 2.89Å; V57-C69 HydrophobicContact CG2-CB 3.95Å; V57-I115 HydrophobicContact CG1-CG2 4.28Å; V57-P116 HydrophobicContact CG1-CG 3.64Å; V57-V118 HydrophobicContact CG2-CG2 4.33Å
58E97Very high96.9Very high137 Ų13771.7 Ų71.764%0.6438%0.382SS*.EExtended strand (participates in β ladder)trans-66.1137.9175.8-164.4176.1177.800111.2P116E58-P116 WeakPolarHBondContact O-CD 3.42Å; E58-P116 WeakPolarHBondContact O-CG 2.98Å
59A97.5Very high96.9Very high7 Ų767.6 Ų67.66%0.05836%0.364CS..PPolyproline II helixtrans-69.6151.7177.200000111.4N63 A65 R67 D114A59-N63 HydrophobicContact CB-CB 4.19Å; A59-A65 HydrophobicContact CB-CB 4.16Å; A59-A65 WeakPolarHBondContact CB-O 3.35Å; A59-A65 PolarHBondContact N-O 2.83Å; A59-R67 HydrophobicContact CB-CG 4.45Å; A59-D114 HydrophobicContact CB-CB 4.29Å
60K96.2Very high96.9Very high103 Ų10367.6 Ų67.645%0.44836%0.364SS..PPolyproline II helixtrans-69.8144.4169.8-68.3177.2-177.7178.90110.7N63 D114 P116K60-N63 PolarHBondContact O-N 3.16Å; K60-N63 VanDerWaalsContact O-N 3.1Å; K60-D114 HydrophobicContact CB-CB 4.34Å; K60-D114 WeakPolarHBondContact CG-O 3.43Å; K60-D114 PolarHBondContact N-O 3.34Å; K60-P116 HydrophobicContact CG-CB 4.26Å
61Q94.2Very high96.9Very high148 Ų14869 Ų6969%0.69237%0.365SS*.THydrogen-bonded Turntrans-51.7140.1165.1-62.1-57.7-37.700110.3
62P96.3Very high96.9Very high123 Ų12369 Ų6980%0.79937%0.365SS*.THydrogen-bonded Turncis-87.46.812.836.5-38000115.2
63N96.6Very high96.9Very high74 Ų7469.9 Ų69.940%0.39637%0.368SS..  trans-88.3147.6-175.9-62.3-18.1000111.3A59 K60 D114A59-N63 HydrophobicContact CB-CB 4.19Å; K60-N63 PolarHBondContact O-N 3.16Å; K60-N63 VanDerWaalsContact O-N 3.1Å; N63-D114 PolarHBondContact ND2-OD2 3.35Å
64S94.5Very high96.9Very high119 Ų11966.3 Ų66.383%0.83235%0.351SS*.  trans-116.3107.6167.9-177.20000109.3
65A95.8Very high96.9Very high34 Ų3467.1 Ų67.128%0.28136%0.358SS..  trans-164.3153.1177.300000111.3A59A59-A65 HydrophobicContact CB-CB 4.16Å; A59-A65 WeakPolarHBondContact CB-O 3.35Å; A59-A65 PolarHBondContact N-O 2.83Å
66I96.3Very high96.8Very high109 Ų10970.9 Ų70.956%0.55937%0.371SS*.EExtended strand (participates in β ladder)trans-100.1108.3169.2-59.1174.3000108.8K68I66-K68 PolarHBondContact O-N 2.68Å
67R97.1Very high96.7Very high79 Ų7971.4 Ų71.430%0.29836%0.362SS..EExtended strand (participates in β ladder)trans-78.4115177.4-60.5-68.1-175.1-152.4-2.8109.8V57 A59 C69 F84 D114 I115V57-R67 HydrophobicContact CB-CB 4.49Å; V57-R67 PolarHBondContact N-O 2.89Å; V57-R67 WeakPolarHBondContact O-CA 3.3Å; V57-R67 WeakPolarHBondContact O-CB 3.24Å; V57-R67 PolarHBondContact O-N 2.89Å; A59-R67 HydrophobicContact CB-CG 4.45Å; R67-C69 PolarHBondContact O-N 2.69Å; R67-C69 PolarHBondContact O-SG 3.37Å; R67-F84 HydrophobicContact CB-CD2 4.44Å; R67-F84 HydrophobicContact CB-CE2 4.17Å; R67-D114 IonicContact CZ-OD1 2.93Å; R67-D114 IonicContact CZ-OD2 2.83Å; R67-D114 IonicContact NE-OD1 2.76Å; R67-D114 PolarHBondContact NE-OD1 3.41Å; R67-D114 IonicContact NE-OD2 3.42Å; R67-D114 PolarHBondContact NE-OD2 3.23Å; R67-D114 IonicContact NH2-OD1 3.41Å; R67-D114 PolarHBondContact NH2-OD1 2.89Å; R67-D114 IonicContact NH2-OD2 2.67Å; R67-D114 PolarHBondContact NH2-OD2 2.64Å; R67-I115 HydrophobicContact CB-CG1 4.46Å; R67-I115 HydrophobicContact CB-CG2 4.17Å; R67-I115 HydrophobicContact CG-CD1 4.49Å; R67-I115 HydrophobicContact CG-CG1 4.03Å; R67-I115 HydrophobicContact CG-CG2 4.43Å
68K97.7Very high96.6Very high105 Ų10571.9 Ų71.946%0.45737%0.372SS..EExtended strand (participates in β ladder)trans-70.3115.5-179.8-56-55.6-178.7174.50110.5I66 F84 V85 L91I66-K68 PolarHBondContact O-N 2.68Å; K68-F84 VanDerWaalsContact O-CD2 3.25Å; K68-F84 WeakPolarHBondContact O-CD2 3.48Å; K68-V85 PolarHBondContact O-N 2.99Å; K68-L91 HydrophobicContact CB-CB 4.37Å; K68-L91 HydrophobicContact CB-CD2 4.11Å; K68-L91 HydrophobicContact CD-CD2 4.01Å; K68-L91 HydrophobicContact CG-CD2 4.24Å
69C97.6Very high96.6Very high0 Ų069.3 Ų69.30%036%0.359CS..EExtended strand (participates in β ladder)trans-128.8172.2-179-61.30000110.2V55 V57 R67 T82 A83V55-C69 PolarHBondContact N-O 3.02Å; V55-C69 CarbonylContact O-C 3.52Å; V55-C69 WeakPolarHBondContact O-CA 3.44Å; V55-C69 WeakPolarHBondContact O-CB 3.4Å; V55-C69 PolarHBondContact O-N 2.97Å; V57-C69 HydrophobicContact CG2-CB 3.95Å; R67-C69 PolarHBondContact O-N 2.69Å; R67-C69 PolarHBondContact O-SG 3.37Å; C69-T82 HydrophobicContact CB-CG2 3.77Å; C69-A83 CarbonylContact C-O 3.51Å; C69-A83 VanDerWaalsContact CA-O 3.26Å; C69-A83 WeakPolarHBondContact CA-O 3.43Å; C69-A83 WeakPolarHBondContact CB-O 2.97Å
70V97.9Very high96.6Very high0 Ų075.9 Ų75.90%039%0.386CS..EExtended strand (participates in β ladder)trans-136.3138.3178.7-161.60000108.7V51 E53 V72 T82 A83 V85 L91 I94V51-V70 HydrophobicContact CB-CG1 3.99Å; V51-V70 HydrophobicContact CG1-CG1 3.2Å; V51-V70 HydrophobicContact CG2-CG1 3.72Å; E53-V70 WeakPolarHBondContact O-CG1 3.34Å; V70-V72 HydrophobicContact CB-CG2 4.33Å; V70-V72 HydrophobicContact CG1-CG2 4.37Å; V70-T82 WeakPolarHBondContact O-CA 3.46Å; V70-A83 PolarHBondContact N-O 2.88Å; V70-A83 PolarHBondContact O-N 2.96Å; V70-V85 HydrophobicContact CG2-CG2 3.29Å; V70-L91 HydrophobicContact CG2-CD1 4.09Å; V70-I94 HydrophobicContact CG1-CG2 4.49Å; V70-I94 HydrophobicContact CG2-CD1 4.12Å; V70-I94 HydrophobicContact CG2-CG2 4.47Å
71R98.3Very high96.6Very high99 Ų9971.5 Ų71.537%0.37437%0.368SS..EExtended strand (participates in β ladder)trans-82.6124.7168-159.9100.871.3169.81.3108L52 E53 V55 I81L52-R71 HydrophobicContact CB-CB 4.3Å; L52-R71 HydrophobicContact CD1-CG 4.25Å; L52-R71 PolarHBondContact N-O 2.83Å; E53-R71 HydrophobicContact CG-CB 3.58Å; E53-R71 HydrophobicContact CG-CG 4.43Å; E53-R71 PolarHBondContact O-N 3.06Å; E53-R71 IonicContact OE1-CZ 3.21Å; E53-R71 IonicContact OE1-NE 2.66Å; E53-R71 PolarHBondContact OE1-NE 2.91Å; E53-R71 IonicContact OE1-NH2 3.73Å; E53-R71 PolarHBondContact OE1-NH2 2.8Å; V55-R71 HydrophobicContact CG2-CB 4.22Å; R71-I81 CarbonylContact C-O 3.43Å; R71-I81 WeakPolarHBondContact CA-O 3.43Å
72V98.3Very high96.8Very high0 Ų066.3 Ų66.30%035%0.346CS..EExtended strand (participates in β ladder)trans-124.2130.7-175.6-179.30000109.3I50 V70 K80 I81 A83 V100 V102I50-V72 CarbonylContact O-C 3.53Å; I50-V72 VanDerWaalsContact O-CA 3.31Å; I50-V72 WeakPolarHBondContact O-CA 3.48Å; V70-V72 HydrophobicContact CB-CG2 4.33Å; V70-V72 HydrophobicContact CG1-CG2 4.37Å; V72-K80 CarbonylContact O-C 3.44Å; V72-K80 WeakPolarHBondContact O-CA 3.49Å; V72-I81 HydrophobicContact CB-CG1 4.01Å; V72-I81 PolarHBondContact N-O 2.9Å; V72-I81 WeakPolarHBondContact O-CG1 2.8Å; V72-I81 PolarHBondContact O-N 2.8Å; V72-A83 HydrophobicContact CG2-CB 4.36Å; V72-V100 HydrophobicContact CB-CG2 4.44Å; V72-V100 HydrophobicContact CG1-CG2 3.71Å; V72-V100 HydrophobicContact CG2-CG2 3.79Å; V72-V102 HydrophobicContact CG1-CG2 4.08Å; V72-V102 HydrophobicContact CG2-CG2 4.41Å
73Q98.1Very high96.9Very high73 Ų7360.5 Ų60.534%0.34131%0.308SS..EExtended strand (participates in β ladder)trans-95120.9168.3-171.8169.62.300109.5G49 I50 L52 I75 G78 K80G49-Q73 CarbonylContact C-O 3.57Å; G49-Q73 WeakPolarHBondContact CA-O 3.44Å; I50-Q73 PolarHBondContact N-O 2.89Å; I50-Q73 PolarHBondContact O-N 2.78Å; L52-Q73 HydrophobicContact CD1-CB 4.11Å; L52-Q73 HydrophobicContact CD2-CB 4.23Å; L52-Q73 HydrophobicContact CG-CB 4.18Å; Q73-I75 PolarHBondContact O-N 2.86Å; Q73-G78 WeakPolarHBondContact CG-O 3.48Å; Q73-G78 PolarHBondContact NE2-O 2.98Å; Q73-K80 HydrophobicContact CG-CG 4.49Å
74L98Very high96.9Very high1 Ų158.6 Ų58.61%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-71.1129.3178.9-65-177000110.9P40 F41 A47 K76 N77 G78 K79 I81P40-L74 HydrophobicContact CB-CD1 3.94Å; P40-L74 VanDerWaalsContact O-CD1 3.25Å; P40-L74 WeakPolarHBondContact O-CD1 3.5Å; F41-L74 HydrophobicContact CD1-CD1 3.97Å; F41-L74 HydrophobicContact CE1-CD1 4.26Å; F41-L74 HydrophobicContact CE1-CD2 4.35Å; A47-L74 HydrophobicContact CB-CD1 4.22Å; A47-L74 HydrophobicContact CB-CD2 3.64Å; L74-K76 VanDerWaalsContact C-N 3.33Å; L74-K76 PolarHBondContact O-N 2.58Å; L74-N77 VanDerWaalsContact CB-OD1 3.24Å; L74-N77 WeakPolarHBondContact CB-OD1 3.47Å; L74-N77 PolarHBondContact O-N 2.83Å; L74-G78 VanDerWaalsContact O-CA 3.3Å; L74-G78 WeakPolarHBondContact O-CA 3.3Å; L74-G78 PolarHBondContact O-N 2.83Å; L74-K79 PolarHBondContact N-O 3.47Å; L74-I81 HydrophobicContact CD1-CD1 4.37Å; L74-I81 HydrophobicContact CD1-CG2 4.46Å; L74-I81 HydrophobicContact CD2-CD1 3.72Å; L74-I81 HydrophobicContact CD2-CG1 4.37Å; L74-I81 HydrophobicContact CG-CD1 4.11Å; L74-I81 HydrophobicContact CG-CG1 4.41Å
75I96.9Very high97.1Very high93 Ų9353.1 Ų53.148%0.47726%0.258SS..THydrogen-bonded Turntrans-62-41.8-176.6-64.8172.4000111.2K48 I50 Q73 N77 E99K48-I75 HydrophobicContact CB-CD1 4.45Å; K48-I75 HydrophobicContact CD-CD1 3.75Å; K48-I75 HydrophobicContact CG-CD1 3.77Å; K48-I75 PolarHBondContact O-N 3.44Å; I50-I75 HydrophobicContact CD1-CG1 4.27Å; I50-I75 HydrophobicContact CG1-CD1 4.26Å; I50-I75 HydrophobicContact CG1-CG1 4.06Å; Q73-I75 PolarHBondContact O-N 2.86Å; I75-N77 VanDerWaalsContact C-N 3.32Å; I75-N77 PolarHBondContact O-N 2.89Å; I75-E99 HydrophobicContact CD1-CG 4.29Å
76K94.8Very high97.1Very high109 Ų10953 Ų5347%0.47425%0.254SS..THydrogen-bonded Turntrans-68.6-22.8-172.866.4175.6174.9-1690115.9F41 L74F41-K76 VanDerWaalsContact C-NZ 3.27Å; F41-K76 PolarHBondContact O-NZ 3.32Å; L74-K76 VanDerWaalsContact C-N 3.33Å; L74-K76 PolarHBondContact O-N 2.58Å
77N94.5Very high97.1Very high63 Ų6354.2 Ų54.234%0.33725%0.252SS..THydrogen-bonded Turntrans-148.15.2-171.462.38.9000114.3P40 L74 I75 K79P40-N77 PolarHBondContact O-ND2 2.84Å; L74-N77 VanDerWaalsContact CB-OD1 3.24Å; L74-N77 WeakPolarHBondContact CB-OD1 3.47Å; L74-N77 PolarHBondContact O-N 2.83Å; I75-N77 VanDerWaalsContact C-N 3.32Å; I75-N77 PolarHBondContact O-N 2.89Å; N77-K79 PolarHBondContact O-N 3.14Å; N77-K79 PolarHBondContact OD1-N 3.19Å
78G95.4Very high97Very high34 Ų3457.2 Ų57.235%0.35127%0.273SS..  trans64.84178.600000115.2Q73 L74 K80Q73-G78 WeakPolarHBondContact CG-O 3.48Å; Q73-G78 PolarHBondContact NE2-O 2.98Å; L74-G78 VanDerWaalsContact O-CA 3.3Å; L74-G78 WeakPolarHBondContact O-CA 3.3Å; L74-G78 PolarHBondContact O-N 2.83Å; G78-K80 PolarHBondContact O-N 2.84Å
79K96.5Very high96.8Very high83 Ų8353.8 Ų53.836%0.36127%0.268SS..  trans-69.7128.3-178.4-70.6-175.9178.1-179.80109.9K37 P40 L74 N77K37-K79 PolarHBondContact O-NZ 2.9Å; P40-K79 HydrophobicContact CB-CD 4.45Å; L74-K79 PolarHBondContact N-O 3.47Å; N77-K79 PolarHBondContact O-N 3.14Å; N77-K79 PolarHBondContact OD1-N 3.19Å
80K97.5Very high96.7Very high145 Ų14553.8 Ų53.863%0.6327%0.268SS*.EExtended strand (participates in β ladder)trans-81.1130173.5-60-177.6-178.3-1770109.7L52 V72 Q73 G78L52-K80 HydrophobicContact CD1-CD 3.92Å; L52-K80 HydrophobicContact CD1-CG 4.08Å; V72-K80 CarbonylContact O-C 3.44Å; V72-K80 WeakPolarHBondContact O-CA 3.49Å; Q73-K80 HydrophobicContact CG-CG 4.49Å; G78-K80 PolarHBondContact O-N 2.84Å
81I97.2Very high96.6Very high11 Ų1155.2 Ų55.26%0.05628%0.276CS..EExtended strand (participates in β ladder)trans-131.9156.8177.262.4171.4000109.9P40 F41 R71 V72 L74 V102 F120P40-I81 HydrophobicContact CB-CG2 3.67Å; P40-I81 HydrophobicContact CG-CG2 3.97Å; F41-I81 HydrophobicContact CE1-CD1 3.96Å; R71-I81 CarbonylContact C-O 3.43Å; R71-I81 WeakPolarHBondContact CA-O 3.43Å; V72-I81 HydrophobicContact CB-CG1 4.01Å; V72-I81 PolarHBondContact N-O 2.9Å; V72-I81 WeakPolarHBondContact O-CG1 2.8Å; V72-I81 PolarHBondContact O-N 2.8Å; L74-I81 HydrophobicContact CD1-CD1 4.37Å; L74-I81 HydrophobicContact CD1-CG2 4.46Å; L74-I81 HydrophobicContact CD2-CD1 3.72Å; L74-I81 HydrophobicContact CD2-CG1 4.37Å; L74-I81 HydrophobicContact CG-CD1 4.11Å; L74-I81 HydrophobicContact CG-CG1 4.41Å; I81-V102 HydrophobicContact CD1-CB 4.44Å; I81-V102 HydrophobicContact CD1-CG1 3.96Å; I81-V102 HydrophobicContact CD1-CG2 4.5Å; I81-F120 HydrophobicContact CB-CD2 4.1Å; I81-F120 HydrophobicContact CB-CE2 4.17Å; I81-F120 HydrophobicContact CD1-CD2 3.97Å; I81-F120 HydrophobicContact CD1-CE2 4.35Å; I81-F120 HydrophobicContact CD1-CG 4.23Å; I81-F120 HydrophobicContact CG2-CD2 4.41Å; I81-F120 HydrophobicContact CG2-CE2 3.99Å
82T97.7Very high96.5Very high39 Ų3956.6 Ų56.624%0.23929%0.29CS..EExtended strand (participates in β ladder)trans-102130.6167.3-51.80000108.7C69 V70 V118C69-T82 HydrophobicContact CB-CG2 3.77Å; V70-T82 WeakPolarHBondContact O-CA 3.46Å; T82-V118 HydrophobicContact CG2-CG2 3.84Å
83A97.8Very high96.3Very high0 Ų059.5 Ų59.50%030%0.303CS..EExtended strand (participates in β ladder)trans-122.7138177.100000110.5C69 V70 V72 V102 F120 V122C69-A83 CarbonylContact C-O 3.51Å; C69-A83 VanDerWaalsContact CA-O 3.26Å; C69-A83 WeakPolarHBondContact CA-O 3.43Å; C69-A83 WeakPolarHBondContact CB-O 2.97Å; V70-A83 PolarHBondContact N-O 2.88Å; V70-A83 PolarHBondContact O-N 2.96Å; V72-A83 HydrophobicContact CG2-CB 4.36Å; A83-V102 HydrophobicContact CB-CG1 3.86Å; A83-F120 WeakPolarHBondContact CA-O 3.49Å; A83-F120 HydrophobicContact CB-CB 4.18Å; A83-V122 HydrophobicContact CB-CG2 4.03Å
84F98Very high96.2Very high35 Ų3556 Ų5615%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-77.9141175.8177.3-117000111.1R67 K68 P86 F105 I115 V118 F120 K121 V122R67-F84 HydrophobicContact CB-CD2 4.44Å; R67-F84 HydrophobicContact CB-CE2 4.17Å; K68-F84 VanDerWaalsContact O-CD2 3.25Å; K68-F84 WeakPolarHBondContact O-CD2 3.48Å; F84-P86 HydrophobicContact CD1-CB 4.36Å; F84-P86 HydrophobicContact CE1-CB 4.13Å; F84-P86 WeakPolarHBondContact O-CD 3.17Å; F84-F105 HydrophobicContact CB-CE1 4.46Å; F84-F105 HydrophobicContact CB-CE2 4.07Å; F84-F105 HydrophobicContact CB-CZ 3.48Å; F84-F105 VanDerWaalsContact CB-CZ 3.48Å; F84-F105 HydrophobicContact CD1-CE1 4.04Å; F84-F105 AromaticContact CD1-CZ 3.71Å; F84-F105 HydrophobicContact CD1-CZ 3.71Å; F84-F105 AromaticContact CG-CZ 3.9Å; F84-F105 HydrophobicContact CG-CZ 3.9Å; F84-I115 HydrophobicContact CB-CD1 4.23Å; F84-I115 HydrophobicContact CD1-CD1 4.06Å; F84-I115 HydrophobicContact CD2-CD1 3.57Å; F84-I115 HydrophobicContact CE1-CD1 4.28Å; F84-I115 HydrophobicContact CE2-CD1 3.84Å; F84-I115 HydrophobicContact CG-CD1 3.69Å; F84-I115 HydrophobicContact CZ-CD1 4.19Å; F84-V118 HydrophobicContact CB-CG1 4Å; F84-F120 PolarHBondContact N-O 3.41Å; F84-K121 CarbonylContact O-C 3.58Å; F84-K121 VanDerWaalsContact O-CA 3.31Å; F84-K121 WeakPolarHBondContact O-CA 3.29Å; F84-V122 PolarHBondContact O-N 3.29Å
85V97.6Very high96Very high4 Ų460 Ų602%0.02431%0.306CS..  trans-94.9111.9170.3-169.60000108.3K68 V70 C90 L91 I94 V122 L130K68-V85 PolarHBondContact O-N 2.99Å; V70-V85 HydrophobicContact CG2-CG2 3.29Å; V85-C90 HydrophobicContact CG1-CB 3.6Å; V85-L91 HydrophobicContact CG2-CD1 3.95Å; V85-I94 HydrophobicContact CB-CD1 4.46Å; V85-I94 HydrophobicContact CG1-CD1 3.88Å; V85-I94 HydrophobicContact CG2-CD1 3.68Å; V85-V122 HydrophobicContact CG2-CG2 4.38Å; V85-L130 HydrophobicContact CG1-CD1 3.95Å
86P96.4Very high95.9Very high30 Ų3060.8 Ų60.820%0.19531%0.307CS..  trans-77.3154.6-178.432.1-33.5000111.6F84 C90 L130F84-P86 HydrophobicContact CD1-CB 4.36Å; F84-P86 HydrophobicContact CE1-CB 4.13Å; F84-P86 WeakPolarHBondContact O-CD 3.17Å; P86-C90 VanDerWaalsContact O-CB 3.3Å; P86-C90 WeakPolarHBondContact O-CB 3.41Å; P86-C90 PolarHBondContact O-SG 3.39Å; P86-L130 HydrophobicContact CG-CD2 3.88Å
87R95.6Very high96Very high135 Ų13561.7 Ų61.751%0.50932%0.317SS..SBendtrans69.8160.6179-50.5175.1178.6-83-7113.6L131 Y134R87-L131 VanDerWaalsContact CZ-CD1 3.42Å; R87-L131 VanDerWaalsContact NE-CD1 3.31Å; R87-L131 VanDerWaalsContact NH2-CD1 3.34Å; R87-Y134 HydrophobicContact CB-CD2 4.08Å; R87-Y134 HydrophobicContact CB-CE2 4.03Å; R87-Y134 HydrophobicContact CB-CG 4.42Å; R87-Y134 VanDerWaalsContact CD-CD1 3.46Å
88D94.8Very high96Very high142 Ų14259.5 Ų59.576%0.75931%0.306SS*.THydrogen-bonded Turntrans-71.4149.1-178.5-168.319.9000111.8C90D88-C90 PolarHBondContact O-N 2.84Å; D88-C90 PolarHBondContact O-SG 3.44Å
89G94Very high96.1Very high33 Ų3360.6 Ų60.634%0.3430%0.302SS..THydrogen-bonded Turntrans63.9-7.9179.200000116L91 N92G89-L91 PolarHBondContact O-N 2.89Å; G89-L91 VanDerWaalsContact O-N 3.08Å; G89-N92 VanDerWaalsContact O-CB 3.29Å; G89-N92 WeakPolarHBondContact O-CB 3.47Å; G89-N92 PolarHBondContact O-N 3.07Å
90C96.2Very high96.1Very high1 Ų156.7 Ų56.71%0.00729%0.285CS..G310 helixtrans-68.9-14.9-170.3-73.90000114.5V85 P86 D88 N92 F93 L130 Y134V85-C90 HydrophobicContact CG1-CB 3.6Å; P86-C90 VanDerWaalsContact O-CB 3.3Å; P86-C90 WeakPolarHBondContact O-CB 3.41Å; P86-C90 PolarHBondContact O-SG 3.39Å; D88-C90 PolarHBondContact O-N 2.84Å; D88-C90 PolarHBondContact O-SG 3.44Å; C90-N92 PolarHBondContact O-N 2.85Å; C90-F93 HydrophobicContact CB-CD2 4.3Å; C90-F93 PolarHBondContact O-N 3.49Å; C90-L130 HydrophobicContact CB-CD1 4.26Å; C90-L130 HydrophobicContact CB-CD2 3.89Å; C90-L130 HydrophobicContact CB-CG 4.26Å; C90-Y134 VanDerWaalsContact SG-CD2 3.54Å
91L95.6Very high96.2Very high30 Ų3051.9 Ų51.916%0.15727%0.266CS..G310 helixtrans-64-28.4171.7-171.467.5000111.6K54 K68 V70 V85 G89 F93 I94K54-L91 HydrophobicContact CB-CD1 4.32Å; K54-L91 HydrophobicContact CB-CD2 4.49Å; K54-L91 HydrophobicContact CD-CD1 4.26Å; K54-L91 HydrophobicContact CD-CD2 4.43Å; K54-L91 HydrophobicContact CD-CG 4.2Å; K54-L91 HydrophobicContact CG-CD1 4.09Å; K68-L91 HydrophobicContact CB-CB 4.37Å; K68-L91 HydrophobicContact CB-CD2 4.11Å; K68-L91 HydrophobicContact CD-CD2 4.01Å; K68-L91 HydrophobicContact CG-CD2 4.24Å; V70-L91 HydrophobicContact CG2-CD1 4.09Å; V85-L91 HydrophobicContact CG2-CD1 3.95Å; G89-L91 PolarHBondContact O-N 2.89Å; G89-L91 VanDerWaalsContact O-N 3.08Å; L91-F93 PolarHBondContact O-N 2.89Å; L91-I94 PolarHBondContact O-N 3.34Å; L91-I94 VanDerWaalsContact O-N 3.15Å
92N95Very high96.2Very high127 Ų12751.4 Ų51.468%0.67926%0.263SS*.G310 helixtrans-69.8-17.3179.3-57.4-10000112.4G89 C90 I94G89-N92 VanDerWaalsContact O-CB 3.29Å; G89-N92 WeakPolarHBondContact O-CB 3.47Å; G89-N92 PolarHBondContact O-N 3.07Å; C90-N92 PolarHBondContact O-N 2.85Å; N92-I94 VanDerWaalsContact C-N 3.31Å
93F94.5Very high96.2Very high61 Ų6149.8 Ų49.827%0.26825%0.254SS..G310 helixtrans-85-5.7175.3-62.6-55.9000113.4C90 L91 L133 R140C90-F93 HydrophobicContact CB-CD2 4.3Å; C90-F93 PolarHBondContact O-N 3.49Å; L91-F93 PolarHBondContact O-N 2.89Å; F93-L133 HydrophobicContact CB-CD1 4.04Å; F93-L133 HydrophobicContact CD1-CB 4.23Å; F93-L133 HydrophobicContact CD2-CB 4.04Å; F93-L133 HydrophobicContact CE1-CB 4.29Å; F93-L133 HydrophobicContact CE2-CB 4.13Å; F93-L133 HydrophobicContact CG-CB 4.11Å; F93-L133 HydrophobicContact CG-CD1 4.22Å; F93-L133 HydrophobicContact CZ-CB 4.25Å; F93-R140 PolarHBondContact O-NH1 3.28Å
94I95.4Very high96.1Very high0 Ų051.3 Ų51.30%027%0.27CS..  trans-115.4128.6-175-61172.9000107.8V51 K54 V70 V85 L91 N92 V122 V125 L130V51-I94 HydrophobicContact CB-CG2 4.5Å; V51-I94 HydrophobicContact CG1-CG2 4.31Å; V51-I94 HydrophobicContact CG2-CG2 3.75Å; K54-I94 WeakPolarHBondContact CE-O 3.49Å; K54-I94 PolarHBondContact NZ-O 3.36Å; V70-I94 HydrophobicContact CG1-CG2 4.49Å; V70-I94 HydrophobicContact CG2-CD1 4.12Å; V70-I94 HydrophobicContact CG2-CG2 4.47Å; V85-I94 HydrophobicContact CB-CD1 4.46Å; V85-I94 HydrophobicContact CG1-CD1 3.88Å; V85-I94 HydrophobicContact CG2-CD1 3.68Å; L91-I94 PolarHBondContact O-N 3.34Å; L91-I94 VanDerWaalsContact O-N 3.15Å; N92-I94 VanDerWaalsContact C-N 3.31Å; I94-V122 HydrophobicContact CD1-CG1 4.15Å; I94-V122 HydrophobicContact CD1-CG2 4.4Å; I94-V125 HydrophobicContact CD1-CG2 3.98Å; I94-V125 HydrophobicContact CG1-CB 4.43Å; I94-V125 HydrophobicContact CG1-CG1 4.04Å; I94-V125 HydrophobicContact CG1-CG2 3.53Å; I94-L130 HydrophobicContact CD1-CD1 4.11Å
95E95Very high95.9Very high86 Ų8651.9 Ų51.940%0.40227%0.272SS..  trans-111.8166.1171.4-64.9-53.2148.900111.7V51 K54 D98V51-E95 WeakPolarHBondContact CB-O 3.22Å; V51-E95 WeakPolarHBondContact CG1-O 3.32Å; K54-E95 IonicContact NZ-OE1 2.64Å; K54-E95 PolarHBondContact NZ-OE1 3.35Å; K54-E95 IonicContact NZ-OE2 3.07Å; K54-E95 PolarHBondContact NZ-OE2 3.29Å; E95-D98 PolarHBondContact N-OD2 2.99Å; E95-D98 WeakPolarHBondContact O-CB 3.4Å; E95-D98 PolarHBondContact O-N 2.97Å
96E95.2Very high95.7Very high109 Ų10955 Ų5551%0.50931%0.305SS..THydrogen-bonded Turntrans-64.2146.2171.5-66.3-178.8178.900110.4D98E96-D98 PolarHBondContact O-N 3.3Å; E96-D98 VanDerWaalsContact O-N 3.16Å
97N95.5Very high95.5Very high127 Ų12760.8 Ų60.868%0.67932%0.323SS*.THydrogen-bonded Turntrans65.93.2-173.2-49.4-55.9000115.7V51V51-N97 WeakPolarHBondContact O-CA 3.06Å; V51-N97 PolarHBondContact O-N 3.08Å
98D95.7Very high95.2Very high18 Ų1863 Ų6310%0.09634%0.337CS..  trans-65.5145.2173-85.6-17.6000112.5I50 V51 E95 E96 V125 R140I50-D98 WeakPolarHBondContact CA-O 3.22Å; V51-D98 HydrophobicContact CG2-CB 4.37Å; V51-D98 PolarHBondContact N-O 2.66Å; E95-D98 PolarHBondContact N-OD2 2.99Å; E95-D98 WeakPolarHBondContact O-CB 3.4Å; E95-D98 PolarHBondContact O-N 2.97Å; E96-D98 PolarHBondContact O-N 3.3Å; E96-D98 VanDerWaalsContact O-N 3.16Å; D98-V125 HydrophobicContact CB-CG1 4.29Å; D98-R140 IonicContact OD1-CZ 3.32Å; D98-R140 IonicContact OD1-NH1 3.03Å; D98-R140 IonicContact OD1-NH2 2.69Å; D98-R140 PolarHBondContact OD1-NH2 3.46Å; D98-R140 IonicContact OD2-CZ 3.4Å; D98-R140 IonicContact OD2-NH1 3.6Å; D98-R140 PolarHBondContact OD2-NH1 3.18Å; D98-R140 IonicContact OD2-NH2 2.68Å; D98-R140 PolarHBondContact OD2-NH2 2.95Å
99E96.5Very high95Very high57 Ų5758.4 Ų58.427%0.26632%0.323SS..EExtended strand (participates in β ladder)trans-79.9126.6168.5-155.4-149.3101.500110.8K48 G49 I75 A126K48-E99 HydrophobicContact CD-CG 3.94Å; K48-E99 WeakPolarHBondContact CD-OE1 3.43Å; K48-E99 VanDerWaalsContact CE-CD 3.49Å; K48-E99 WeakPolarHBondContact CE-OE1 3.31Å; K48-E99 HydrophobicContact CG-CG 3.77Å; K48-E99 WeakPolarHBondContact CG-OE1 3.42Å; K48-E99 IonicContact NZ-OE1 2.86Å; K48-E99 PolarHBondContact NZ-OE1 3.36Å; K48-E99 IonicContact NZ-OE2 3.94Å; K48-E99 PolarHBondContact NZ-OE2 2.88Å; G49-E99 WeakPolarHBondContact O-CA 3.46Å; I75-E99 HydrophobicContact CD1-CG 4.29Å; E99-A126 PolarHBondContact O-N 3.17Å
100V97.6Very high95Very high1 Ų161.9 Ų61.91%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-126.8143.3-179.4-66.40000112.2K48 G49 V51 V72 V102 V122 K124 V125K48-V100 WeakPolarHBondContact CA-O 3.38Å; G49-V100 PolarHBondContact N-O 3.13Å; G49-V100 WeakPolarHBondContact O-CG2 3.35Å; G49-V100 PolarHBondContact O-N 3.41Å; V51-V100 HydrophobicContact CG2-CB 4.42Å; V51-V100 HydrophobicContact CG2-CG1 3.6Å; V51-V100 HydrophobicContact CG2-CG2 3.9Å; V72-V100 HydrophobicContact CB-CG2 4.44Å; V72-V100 HydrophobicContact CG1-CG2 3.71Å; V72-V100 HydrophobicContact CG2-CG2 3.79Å; V100-V102 HydrophobicContact CG2-CG2 4.03Å; V100-V122 HydrophobicContact CB-CG1 4.36Å; V100-V122 HydrophobicContact CG1-CG1 4.38Å; V100-K124 VanDerWaalsContact CA-O 3.32Å; V100-K124 WeakPolarHBondContact CA-O 3.42Å; V100-V125 HydrophobicContact CG1-CB 4.46Å; V100-V125 HydrophobicContact CG1-CG1 4.22Å; V100-V125 HydrophobicContact CG1-CG2 4.21Å
101L98Very high95Very high44 Ų4463.1 Ų63.123%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-94.6122.3168.1-172.368.6000109.5H46 V123 K124H46-L101 HydrophobicContact CB-CD1 4.05Å; H46-L101 HydrophobicContact CB-CG 4.49Å; L101-V123 PolarHBondContact O-N 3.26Å; L101-K124 HydrophobicContact CB-CB 3.75Å; L101-K124 HydrophobicContact CB-CG 4.15Å; L101-K124 HydrophobicContact CD2-CD 3.97Å; L101-K124 HydrophobicContact CD2-CG 3.99Å; L101-K124 PolarHBondContact N-O 2.91Å; L101-K124 PolarHBondContact O-N 3.04Å
102V97.8Very high94.9Very high0 Ų063.7 Ų63.70%035%0.345CS..EExtended strand (participates in β ladder)trans-110.5138.8-177.2-169.40000110.5F41 H46 A47 V72 I81 A83 V100 F120 K121F41-V102 HydrophobicContact CE1-CG1 4.4Å; F41-V102 HydrophobicContact CZ-CB 4.07Å; F41-V102 HydrophobicContact CZ-CG1 3.89Å; F41-V102 WeakPolarHBondContact CZ-O 3.39Å; H46-V102 VanDerWaalsContact CA-O 3.3Å; H46-V102 WeakPolarHBondContact CA-O 3.42Å; A47-V102 PolarHBondContact N-O 3.06Å; A47-V102 PolarHBondContact O-N 3.01Å; V72-V102 HydrophobicContact CG1-CG2 4.08Å; V72-V102 HydrophobicContact CG2-CG2 4.41Å; I81-V102 HydrophobicContact CD1-CB 4.44Å; I81-V102 HydrophobicContact CD1-CG1 3.96Å; I81-V102 HydrophobicContact CD1-CG2 4.5Å; A83-V102 HydrophobicContact CB-CG1 3.86Å; V100-V102 HydrophobicContact CG2-CG2 4.03Å; V102-F120 HydrophobicContact CG1-CB 3.57Å; V102-F120 HydrophobicContact CG1-CG 4.26Å; V102-K121 WeakPolarHBondContact CA-O 3.21Å; V102-K121 WeakPolarHBondContact CG1-O 3.2Å
103A97.5Very high94.9Very high6 Ų660.6 Ų60.65%0.0534%0.342CS..EExtended strand (participates in β ladder)trans-121.2159.517400000111.5H46 F120 K121 V123H46-A103 VanDerWaalsContact CD2-CB 3.47Å; H46-A103 WeakPolarHBondContact CD2-CB 3.25Å; A103-F120 CarbonylContact O-C 3.59Å; A103-F120 VanDerWaalsContact O-CA 3.22Å; A103-F120 WeakPolarHBondContact O-CA 3.3Å; A103-F120 WeakPolarHBondContact O-CB 3.41Å; A103-K121 HydrophobicContact CB-CG 4.35Å; A103-K121 PolarHBondContact N-O 3.46Å; A103-K121 PolarHBondContact O-N 3.38Å; A103-V123 HydrophobicContact CB-CG2 3.53Å
104G96Very high95Very high32 Ų3258.7 Ų58.733%0.3334%0.335SS..EExtended strand (participates in β ladder)trans-70.6156.3165.400000112G106G104-G106 VanDerWaalsContact C-N 3.27Å; G104-G106 PolarHBondContact O-N 3.05Å
105F94.7Very high95Very high47 Ų4759.2 Ų59.221%0.20634%0.338CS..  trans-76-5.6176.1-88.7-61.7000115.6F84 V112 I115 V118 R119 F120 K121F84-F105 HydrophobicContact CB-CE1 4.46Å; F84-F105 HydrophobicContact CB-CE2 4.07Å; F84-F105 HydrophobicContact CB-CZ 3.48Å; F84-F105 VanDerWaalsContact CB-CZ 3.48Å; F84-F105 HydrophobicContact CD1-CE1 4.04Å; F84-F105 AromaticContact CD1-CZ 3.71Å; F84-F105 HydrophobicContact CD1-CZ 3.71Å; F84-F105 AromaticContact CG-CZ 3.9Å; F84-F105 HydrophobicContact CG-CZ 3.9Å; F105-V112 HydrophobicContact CB-CB 4.21Å; F105-V112 HydrophobicContact CB-CG2 3.29Å; F105-V112 HydrophobicContact CD1-CB 4.47Å; F105-V112 HydrophobicContact CD1-CG2 4.39Å; F105-V112 HydrophobicContact CD2-CB 4.26Å; F105-V112 HydrophobicContact CD2-CG2 4.04Å; F105-V112 HydrophobicContact CG-CB 4.13Å; F105-V112 HydrophobicContact CG-CG2 3.73Å; F105-I115 HydrophobicContact CZ-CD1 4.21Å; F105-V118 HydrophobicContact CE2-CG1 4.05Å; F105-R119 WeakPolarHBondContact CD2-O 3.35Å; F105-R119 PolarHBondContact N-O 2.96Å; F105-R119 VanDerWaalsContact N-O 3.17Å; F105-F120 VanDerWaalsContact CE2-O 3.24Å; F105-F120 WeakPolarHBondContact CE2-O 3.24Å; F105-K121 HydrophobicContact CD1-CB 4.13Å; F105-K121 HydrophobicContact CD1-CD 4.03Å; F105-K121 HydrophobicContact CD1-CG 4.3Å; F105-K121 HydrophobicContact CE1-CB 3.79Å; F105-K121 HydrophobicContact CE1-CD 4.21Å; F105-K121 HydrophobicContact CE1-CG 4.41Å; F105-K121 HydrophobicContact CZ-CB 4.12Å
106G92Very high95Very high70 Ų7057.5 Ų57.572%0.72233%0.334SS*.SBendtrans94.9-11-179.200000115.5G104 K108G104-G106 VanDerWaalsContact C-N 3.27Å; G104-G106 PolarHBondContact O-N 3.05Å; G106-K108 VanDerWaalsContact C-N 3.26Å; G106-K108 PolarHBondContact O-N 3.43Å; G106-K108 VanDerWaalsContact O-N 3.13Å
107R93Very high95Very high150 Ų15055.3 Ų55.357%0.56634%0.34SS*.SBendtrans-86.442.1174.8-61.8-169.689.3-16810113.7G109 H110 A111 V112R107-G109 PolarHBondContact O-N 2.9Å; R107-H110 HydrophobicContact CB-CB 4.07Å; R107-H110 VanDerWaalsContact O-CB 3.29Å; R107-H110 WeakPolarHBondContact O-CB 3.3Å; R107-H110 PolarHBondContact O-CD2 3.04Å; R107-H110 PolarHBondContact O-N 3.28Å; R107-A111 PolarHBondContact NH1-O 3.41Å; R107-V112 HydrophobicContact CB-CG2 4.05Å; R107-V112 VanDerWaalsContact CD-CG2 3.44Å; R107-V112 HydrophobicContact CG-CG2 3.58Å
108K89.6Confident95.1Very high183 Ų18349.4 Ų49.480%0.79631%0.309SS*.THydrogen-bonded Turntrans49.434.4174.9-60.1-179.3-179.7176.10115.6K29 G106K29-K108 PolarHBondContact NZ-O 3.41Å; G106-K108 VanDerWaalsContact C-N 3.26Å; G106-K108 PolarHBondContact O-N 3.43Å; G106-K108 VanDerWaalsContact O-N 3.13Å
109G90.3Very high95.1Very high45 Ų4554.8 Ų54.846%0.46433%0.328SS..THydrogen-bonded Turntrans939-17900000115R107 R119R107-G109 PolarHBondContact O-N 2.9Å; G109-R119 WeakPolarHBondContact O-CD 3.49Å
110H94Very high95.2Very high106 Ų10652.9 Ų52.949%0.49132%0.319SS..  trans-93.4152.4172-58.8-66.4000111.3R107R107-H110 HydrophobicContact CB-CB 4.07Å; R107-H110 VanDerWaalsContact O-CB 3.29Å; R107-H110 WeakPolarHBondContact O-CB 3.3Å; R107-H110 PolarHBondContact O-CD2 3.04Å; R107-H110 PolarHBondContact O-N 3.28Å
111A95.4Very high95.2Very high26 Ų2656.7 Ų56.722%0.21534%0.335CS..  trans-66.5157.1171.500000110.9R107 V118R107-A111 PolarHBondContact NH1-O 3.41Å; A111-V118 VanDerWaalsContact CA-O 3.3Å; A111-V118 WeakPolarHBondContact CA-O 3.41Å; A111-V118 WeakPolarHBondContact CB-O 3.42Å
112V94.6Very high95.1Very high43 Ų4354.7 Ų54.726%0.26133%0.325SS..  trans-123.2142-173.2-177.40000110.7F105 R107 I115F105-V112 HydrophobicContact CB-CB 4.21Å; F105-V112 HydrophobicContact CB-CG2 3.29Å; F105-V112 HydrophobicContact CD1-CB 4.47Å; F105-V112 HydrophobicContact CD1-CG2 4.39Å; F105-V112 HydrophobicContact CD2-CB 4.26Å; F105-V112 HydrophobicContact CD2-CG2 4.04Å; F105-V112 HydrophobicContact CG-CB 4.13Å; F105-V112 HydrophobicContact CG-CG2 3.73Å; R107-V112 HydrophobicContact CB-CG2 4.05Å; R107-V112 VanDerWaalsContact CD-CG2 3.44Å; R107-V112 HydrophobicContact CG-CG2 3.58Å; V112-I115 PolarHBondContact O-N 3.11Å
113G94.5Very high95.1Very high61 Ų6156.7 Ų56.763%0.62934%0.337SS*.THydrogen-bonded Turntrans59.5-139177.100000112.3I115G113-I115 VanDerWaalsContact C-N 3.34Å
114D96.1Very high95.1Very high22 Ų2260.6 Ų60.612%0.11835%0.353CS..THydrogen-bonded Turntrans-89.16.2-178.463.6-8000113.6A59 K60 N63 R67 P116A59-D114 HydrophobicContact CB-CB 4.29Å; K60-D114 HydrophobicContact CB-CB 4.34Å; K60-D114 WeakPolarHBondContact CG-O 3.43Å; K60-D114 PolarHBondContact N-O 3.34Å; N63-D114 PolarHBondContact ND2-OD2 3.35Å; R67-D114 IonicContact CZ-OD1 2.93Å; R67-D114 IonicContact CZ-OD2 2.83Å; R67-D114 IonicContact NE-OD1 2.76Å; R67-D114 PolarHBondContact NE-OD1 3.41Å; R67-D114 IonicContact NE-OD2 3.42Å; R67-D114 PolarHBondContact NE-OD2 3.23Å; R67-D114 IonicContact NH2-OD1 3.41Å; R67-D114 PolarHBondContact NH2-OD1 2.89Å; R67-D114 IonicContact NH2-OD2 2.67Å; R67-D114 PolarHBondContact NH2-OD2 2.64Å; D114-P116 WeakPolarHBondContact O-CD 3.4Å
115I95.2Very high95.1Very high11 Ų1159.1 Ų59.16%0.05634%0.338CS..  trans-89.6106.6-177.2-37.4-177.5000109.5V57 R67 F84 F105 V112 G113 V118V57-I115 HydrophobicContact CG1-CG2 4.28Å; R67-I115 HydrophobicContact CB-CG1 4.46Å; R67-I115 HydrophobicContact CB-CG2 4.17Å; R67-I115 HydrophobicContact CG-CD1 4.49Å; R67-I115 HydrophobicContact CG-CG1 4.03Å; R67-I115 HydrophobicContact CG-CG2 4.43Å; F84-I115 HydrophobicContact CB-CD1 4.23Å; F84-I115 HydrophobicContact CD1-CD1 4.06Å; F84-I115 HydrophobicContact CD2-CD1 3.57Å; F84-I115 HydrophobicContact CE1-CD1 4.28Å; F84-I115 HydrophobicContact CE2-CD1 3.84Å; F84-I115 HydrophobicContact CG-CD1 3.69Å; F84-I115 HydrophobicContact CZ-CD1 4.19Å; F105-I115 HydrophobicContact CZ-CD1 4.21Å; V112-I115 PolarHBondContact O-N 3.11Å; G113-I115 VanDerWaalsContact C-N 3.34Å; I115-V118 HydrophobicContact CB-CB 4.36Å; I115-V118 HydrophobicContact CG2-CB 3.63Å; I115-V118 HydrophobicContact CG2-CG1 4.46Å; I115-V118 HydrophobicContact CG2-CG2 3.53Å
116P96.3Very high95.1Very high50 Ų5058 Ų5833%0.32534%0.337SS..SBendtrans-69.1134.9-178.629.6-34.8000111.4V57 E58 K60 D114 V118V57-P116 HydrophobicContact CG1-CG 3.64Å; E58-P116 WeakPolarHBondContact O-CD 3.42Å; E58-P116 WeakPolarHBondContact O-CG 2.98Å; K60-P116 HydrophobicContact CG-CB 4.26Å; D114-P116 WeakPolarHBondContact O-CD 3.4Å; P116-V118 PolarHBondContact O-N 2.79Å
117G94.8Very high95.1Very high62 Ų6260 Ų6064%0.63933%0.331SS*.SBendtrans72.2-19.9172.800000116.6R119G117-R119 PolarHBondContact O-N 3.45Å
118V96.8Very high95.3Very high3 Ų353.3 Ų53.32%0.01831%0.307CS..  trans-83.1116.4-175.6-171.60000111V57 T82 F84 F105 A111 I115 P116 F120V57-V118 HydrophobicContact CG2-CG2 4.33Å; T82-V118 HydrophobicContact CG2-CG2 3.84Å; F84-V118 HydrophobicContact CB-CG1 4Å; F105-V118 HydrophobicContact CE2-CG1 4.05Å; A111-V118 VanDerWaalsContact CA-O 3.3Å; A111-V118 WeakPolarHBondContact CA-O 3.41Å; A111-V118 WeakPolarHBondContact CB-O 3.42Å; I115-V118 HydrophobicContact CB-CB 4.36Å; I115-V118 HydrophobicContact CG2-CB 3.63Å; I115-V118 HydrophobicContact CG2-CG1 4.46Å; I115-V118 HydrophobicContact CG2-CG2 3.53Å; P116-V118 PolarHBondContact O-N 2.79Å; V118-F120 WeakPolarHBondContact CG1-O 3.15Å
119R96.7Very high95.6Very high131 Ų13146.5 Ų46.549%0.49428%0.282SS..  trans-107.9-7.8-174.8-61.5165.8-174.5-174.74.2113.3F105 G109 G117F105-R119 WeakPolarHBondContact CD2-O 3.35Å; F105-R119 PolarHBondContact N-O 2.96Å; F105-R119 VanDerWaalsContact N-O 3.17Å; G109-R119 WeakPolarHBondContact O-CD 3.49Å; G117-R119 PolarHBondContact O-N 3.45Å
120F97.5Very high95.8Very high18 Ų1844.6 Ų44.68%0.07926%0.261CS..EExtended strand (participates in β ladder)trans-129.8158.3-168.9-54.9-72.3000111.4P40 F41 I81 A83 F84 V102 A103 F105 V118P40-F120 HydrophobicContact CB-CZ 4.17Å; P40-F120 HydrophobicContact CG-CE2 4.17Å; P40-F120 HydrophobicContact CG-CZ 3.93Å; F41-F120 HydrophobicContact CD1-CD1 4.48Å; F41-F120 AromaticContact CD1-CE1 3.91Å; F41-F120 HydrophobicContact CD1-CE1 3.91Å; F41-F120 HydrophobicContact CD1-CZ 4.35Å; F41-F120 HydrophobicContact CD2-CE1 4.22Å; F41-F120 AromaticContact CE1-CD1 3.72Å; F41-F120 HydrophobicContact CE1-CD1 3.72Å; F41-F120 AromaticContact CE1-CE1 3.58Å; F41-F120 HydrophobicContact CE1-CE1 3.58Å; F41-F120 HydrophobicContact CE1-CG 4.42Å; F41-F120 HydrophobicContact CE1-CZ 4.18Å; F41-F120 AromaticContact CE2-CD1 3.9Å; F41-F120 HydrophobicContact CE2-CD1 3.9Å; F41-F120 AromaticContact CE2-CE1 3.93Å; F41-F120 HydrophobicContact CE2-CE1 3.93Å; F41-F120 HydrophobicContact CG-CE1 4.22Å; F41-F120 AromaticContact CZ-CD1 3.38Å; F41-F120 HydrophobicContact CZ-CD1 3.38Å; F41-F120 AromaticContact CZ-CE1 3.6Å; F41-F120 HydrophobicContact CZ-CE1 3.6Å; F41-F120 HydrophobicContact CZ-CG 4.25Å; I81-F120 HydrophobicContact CB-CD2 4.1Å; I81-F120 HydrophobicContact CB-CE2 4.17Å; I81-F120 HydrophobicContact CD1-CD2 3.97Å; I81-F120 HydrophobicContact CD1-CE2 4.35Å; I81-F120 HydrophobicContact CD1-CG 4.23Å; I81-F120 HydrophobicContact CG2-CD2 4.41Å; I81-F120 HydrophobicContact CG2-CE2 3.99Å; A83-F120 WeakPolarHBondContact CA-O 3.49Å; A83-F120 HydrophobicContact CB-CB 4.18Å; F84-F120 PolarHBondContact N-O 3.41Å; V102-F120 HydrophobicContact CG1-CB 3.57Å; V102-F120 HydrophobicContact CG1-CG 4.26Å; A103-F120 CarbonylContact O-C 3.59Å; A103-F120 VanDerWaalsContact O-CA 3.22Å; A103-F120 WeakPolarHBondContact O-CA 3.3Å; A103-F120 WeakPolarHBondContact O-CB 3.41Å; F105-F120 VanDerWaalsContact CE2-O 3.24Å; F105-F120 WeakPolarHBondContact CE2-O 3.24Å; V118-F120 WeakPolarHBondContact CG1-O 3.15Å
121K97.4Very high96Very high80 Ų8042.9 Ų42.935%0.34826%0.255SS..EExtended strand (participates in β ladder)trans-133.4151.3175.664.2177.7-179.6178.90111.4F84 V102 A103 F105F84-K121 CarbonylContact O-C 3.58Å; F84-K121 VanDerWaalsContact O-CA 3.31Å; F84-K121 WeakPolarHBondContact O-CA 3.29Å; V102-K121 WeakPolarHBondContact CA-O 3.21Å; V102-K121 WeakPolarHBondContact CG1-O 3.2Å; A103-K121 HydrophobicContact CB-CG 4.35Å; A103-K121 PolarHBondContact N-O 3.46Å; A103-K121 PolarHBondContact O-N 3.38Å; F105-K121 HydrophobicContact CD1-CB 4.13Å; F105-K121 HydrophobicContact CD1-CD 4.03Å; F105-K121 HydrophobicContact CD1-CG 4.3Å; F105-K121 HydrophobicContact CE1-CB 3.79Å; F105-K121 HydrophobicContact CE1-CD 4.21Å; F105-K121 HydrophobicContact CE1-CG 4.41Å; F105-K121 HydrophobicContact CZ-CB 4.12Å
122V97.9Very high96Very high3 Ų342.4 Ų42.42%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-77.3139.8172.3-177.40000109.9A83 F84 V85 I94 V100 V125 L130A83-V122 HydrophobicContact CB-CG2 4.03Å; F84-V122 PolarHBondContact O-N 3.29Å; V85-V122 HydrophobicContact CG2-CG2 4.38Å; I94-V122 HydrophobicContact CD1-CG1 4.15Å; I94-V122 HydrophobicContact CD1-CG2 4.4Å; V100-V122 HydrophobicContact CB-CG1 4.36Å; V100-V122 HydrophobicContact CG1-CG1 4.38Å; V122-V125 HydrophobicContact CG1-CG2 3.97Å; V122-L130 HydrophobicContact CG1-CD1 4.06Å
123V97.8Very high96Very high42 Ų4240.8 Ų40.826%0.25524%0.242SC..EExtended strand (participates in β ladder)trans-120.4-41.8179.7-177.90000111.9L101 A103 L130L101-V123 PolarHBondContact O-N 3.26Å; A103-V123 HydrophobicContact CB-CG2 3.53Å; V123-L130 PolarHBondContact O-N 3.46Å
124K97.2Very high96.1Very high87 Ų8742.9 Ų42.938%0.37823%0.231SC..EExtended strand (participates in β ladder)trans-134.2153.2177.8-55.7-169.7176.4-178.30110.3V100 L101 V128V100-K124 VanDerWaalsContact CA-O 3.32Å; V100-K124 WeakPolarHBondContact CA-O 3.42Å; L101-K124 HydrophobicContact CB-CB 3.75Å; L101-K124 HydrophobicContact CB-CG 4.15Å; L101-K124 HydrophobicContact CD2-CD 3.97Å; L101-K124 HydrophobicContact CD2-CG 3.99Å; L101-K124 PolarHBondContact N-O 2.91Å; L101-K124 PolarHBondContact O-N 3.04Å; K124-V128 CarbonylContact C-O 3.5Å; K124-V128 WeakPolarHBondContact CA-O 3.49Å; K124-V128 VanDerWaalsContact CB-O 3.24Å; K124-V128 WeakPolarHBondContact CB-O 3.48Å
125V96.1Very high96.1Very high2 Ų247.7 Ų47.71%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-135.3132.6176.1-172.80000106.7I94 D98 V100 V122 N127 V128 L130I94-V125 HydrophobicContact CD1-CG2 3.98Å; I94-V125 HydrophobicContact CG1-CB 4.43Å; I94-V125 HydrophobicContact CG1-CG1 4.04Å; I94-V125 HydrophobicContact CG1-CG2 3.53Å; D98-V125 HydrophobicContact CB-CG1 4.29Å; V100-V125 HydrophobicContact CG1-CB 4.46Å; V100-V125 HydrophobicContact CG1-CG1 4.22Å; V100-V125 HydrophobicContact CG1-CG2 4.21Å; V122-V125 HydrophobicContact CG1-CG2 3.97Å; V125-N127 VanDerWaalsContact C-N 3.25Å; V125-N127 PolarHBondContact O-N 3.28Å; V125-V128 PolarHBondContact N-O 3.29Å; V125-V128 WeakPolarHBondContact O-CA 3.28Å; V125-V128 PolarHBondContact O-N 3.44Å; V125-V128 VanDerWaalsContact O-O 3.07Å; V125-L130 HydrophobicContact CG2-CD1 3.84Å
126A93.2Very high96Very high24 Ų2450.3 Ų50.320%0.19828%0.281CS..THydrogen-bonded Turntrans47.446.8-17900000112.8E99 V128E99-A126 PolarHBondContact O-N 3.17Å; A126-V128 PolarHBondContact O-N 2.97Å
127N93.3Very high96Very high110 Ų11055.7 Ų55.759%0.58830%0.299SS*.THydrogen-bonded Turntrans60.2-0.8-174.1-66.8-47.8000117.1V125V125-N127 VanDerWaalsContact C-N 3.25Å; V125-N127 PolarHBondContact O-N 3.28Å
128V95.7Very high95.9Very high11 Ų1159.1 Ų59.17%0.06730%0.296CS..EExtended strand (participates in β ladder)trans-96.1142.3175.3-171.60000110.4K124 V125 A126 L130 L133 K138 L141K124-V128 CarbonylContact C-O 3.5Å; K124-V128 WeakPolarHBondContact CA-O 3.49Å; K124-V128 VanDerWaalsContact CB-O 3.24Å; K124-V128 WeakPolarHBondContact CB-O 3.48Å; V125-V128 PolarHBondContact N-O 3.29Å; V125-V128 WeakPolarHBondContact O-CA 3.28Å; V125-V128 PolarHBondContact O-N 3.44Å; V125-V128 VanDerWaalsContact O-O 3.07Å; A126-V128 PolarHBondContact O-N 2.97Å; V128-L130 PolarHBondContact O-N 3.04Å; V128-L133 HydrophobicContact CB-CD1 4.44Å; V128-L133 HydrophobicContact CB-CD2 4.37Å; V128-L133 HydrophobicContact CB-CG 4.39Å; V128-L133 HydrophobicContact CG1-CD1 4.37Å; V128-L133 HydrophobicContact CG1-CD2 3.74Å; V128-L133 HydrophobicContact CG1-CG 3.81Å; V128-K138 HydrophobicContact CG1-CB 3.74Å; V128-K138 HydrophobicContact CG1-CD 3.98Å; V128-K138 HydrophobicContact CG1-CG 4.48Å; V128-L141 HydrophobicContact CG2-CD1 3.96Å; V128-L141 HydrophobicContact CG2-CG 4.2Å
129S96.4Very high95.6Very high40 Ų4066.7 Ų66.728%0.2833%0.332SS..EExtended strand (participates in β ladder)trans-69.3131.4175.7-1790000111.2L131 A132 L133S129-L131 PolarHBondContact O-N 3.02Å; S129-L131 PolarHBondContact OG-N 2.94Å; S129-A132 WeakPolarHBondContact O-CA 3.42Å; S129-A132 WeakPolarHBondContact O-CB 3.15Å; S129-A132 PolarHBondContact O-N 2.96Å; S129-L133 PolarHBondContact O-N 3.34Å
130L95.9Very high95Very high4 Ų464.2 Ų64.22%0.02132%0.322CS..Hα-helixtrans-61.8-30.7176.4-171.2132.4000112V85 P86 C90 I94 V122 V123 V125 V128 A132 Y134V85-L130 HydrophobicContact CG1-CD1 3.95Å; P86-L130 HydrophobicContact CG-CD2 3.88Å; C90-L130 HydrophobicContact CB-CD1 4.26Å; C90-L130 HydrophobicContact CB-CD2 3.89Å; C90-L130 HydrophobicContact CB-CG 4.26Å; I94-L130 HydrophobicContact CD1-CD1 4.11Å; V122-L130 HydrophobicContact CG1-CD1 4.06Å; V123-L130 PolarHBondContact O-N 3.46Å; V125-L130 HydrophobicContact CG2-CD1 3.84Å; V128-L130 PolarHBondContact O-N 3.04Å; L130-A132 VanDerWaalsContact C-N 3.34Å; L130-Y134 VanDerWaalsContact O-CB 3.28Å; L130-Y134 WeakPolarHBondContact O-CB 3.27Å; L130-Y134 PolarHBondContact O-N 3.25Å
131L96.6Very high94.2Very high70 Ų7068.7 Ų68.737%0.36635%0.346SS..Hα-helixtrans-67.5-34.9173-176.464.8000112.5R87 S129 K135R87-L131 VanDerWaalsContact CZ-CD1 3.42Å; R87-L131 VanDerWaalsContact NE-CD1 3.31Å; R87-L131 VanDerWaalsContact NH2-CD1 3.34Å; S129-L131 PolarHBondContact O-N 3.02Å; S129-L131 PolarHBondContact OG-N 2.94Å; L131-K135 HydrophobicContact CD1-CD 4.49Å; L131-K135 WeakPolarHBondContact O-CB 3.4Å; L131-K135 WeakPolarHBondContact O-CG 3.29Å; L131-K135 PolarHBondContact O-N 3.05Å; L131-K135 VanDerWaalsContact O-N 3.14Å
132A96.4Very high93.1Very high17 Ų1776.2 Ų76.214%0.1437%0.373CS..Hα-helixtrans-72.8-40.9178.300000111S129 L130 K135 G136 K137 K138S129-A132 WeakPolarHBondContact O-CA 3.42Å; S129-A132 WeakPolarHBondContact O-CB 3.15Å; S129-A132 PolarHBondContact O-N 2.96Å; L130-A132 VanDerWaalsContact C-N 3.34Å; A132-K135 PolarHBondContact O-N 3.5Å; A132-G136 PolarHBondContact O-N 3.17Å; A132-K137 HydrophobicContact CB-CB 4.44Å; A132-K137 PolarHBondContact O-N 3.18Å; A132-K138 HydrophobicContact CB-CB 4.08Å; A132-K138 HydrophobicContact CB-CD 4.33Å; A132-K138 HydrophobicContact CB-CG 4.09Å; A132-K138 PolarHBondContact O-N 3.28Å
133L95.2Very high91.6Very high9 Ų984.8 Ų84.85%0.04743%0.433CS..Hα-helixtrans-60-49.8172.1-65.1173.5000110.9F93 V128 S129 K135 G136 K138 R140F93-L133 HydrophobicContact CB-CD1 4.04Å; F93-L133 HydrophobicContact CD1-CB 4.23Å; F93-L133 HydrophobicContact CD2-CB 4.04Å; F93-L133 HydrophobicContact CE1-CB 4.29Å; F93-L133 HydrophobicContact CE2-CB 4.13Å; F93-L133 HydrophobicContact CG-CB 4.11Å; F93-L133 HydrophobicContact CG-CD1 4.22Å; F93-L133 HydrophobicContact CZ-CB 4.25Å; V128-L133 HydrophobicContact CB-CD1 4.44Å; V128-L133 HydrophobicContact CB-CD2 4.37Å; V128-L133 HydrophobicContact CB-CG 4.39Å; V128-L133 HydrophobicContact CG1-CD1 4.37Å; V128-L133 HydrophobicContact CG1-CD2 3.74Å; V128-L133 HydrophobicContact CG1-CG 3.81Å; S129-L133 PolarHBondContact O-N 3.34Å; L133-K135 VanDerWaalsContact C-N 3.28Å; L133-K135 PolarHBondContact O-N 2.96Å; L133-G136 PolarHBondContact O-N 2.98Å; L133-K138 WeakPolarHBondContact CD2-O 3.19Å; L133-R140 HydrophobicContact CD2-CB 4.26Å
134Y95.6Very high91.3Very high104 Ų10487 Ų8741%0.40844%0.442SS..Hα-helixtrans-58.3-37178.7175.8-102.8000113.6R87 C90 L130 G136R87-Y134 HydrophobicContact CB-CD2 4.08Å; R87-Y134 HydrophobicContact CB-CE2 4.03Å; R87-Y134 HydrophobicContact CB-CG 4.42Å; R87-Y134 VanDerWaalsContact CD-CD1 3.46Å; C90-Y134 VanDerWaalsContact SG-CD2 3.54Å; L130-Y134 VanDerWaalsContact O-CB 3.28Å; L130-Y134 WeakPolarHBondContact O-CB 3.27Å; L130-Y134 PolarHBondContact O-N 3.25Å; Y134-G136 VanDerWaalsContact C-N 3.32Å
135K96.5Very high91Very high124 Ų12486.9 Ų86.954%0.53945%0.445SS..THydrogen-bonded Turntrans-86.82.7178.3-69.4-171.4175.8-1680113.7L131 A132 L133 K137L131-K135 HydrophobicContact CD1-CD 4.49Å; L131-K135 WeakPolarHBondContact O-CB 3.4Å; L131-K135 WeakPolarHBondContact O-CG 3.29Å; L131-K135 PolarHBondContact O-N 3.05Å; L131-K135 VanDerWaalsContact O-N 3.14Å; A132-K135 PolarHBondContact O-N 3.5Å; L133-K135 VanDerWaalsContact C-N 3.28Å; L133-K135 PolarHBondContact O-N 2.96Å; K135-K137 HydrophobicContact CB-CG 4.05Å; K135-K137 PolarHBondContact O-N 3.12Å
136G93.3Very high90.7Very high65 Ų6591.7 Ų91.767%0.6747%0.469SS*.THydrogen-bonded Turntrans63.517.8-17500000114.5A132 L133 Y134A132-G136 PolarHBondContact O-N 3.17Å; L133-G136 PolarHBondContact O-N 2.98Å; Y134-G136 VanDerWaalsContact C-N 3.32Å
137K95.1Very high90.6Very high164 Ų16495.6 Ų95.671%0.71349%0.485SS*.SBendtrans-79.8-21.7-179.6-69.3-166.1173.3-160.70113.2A132 K135A132-K137 HydrophobicContact CB-CB 4.44Å; A132-K137 PolarHBondContact O-N 3.18Å; K135-K137 HydrophobicContact CB-CG 4.05Å; K135-K137 PolarHBondContact O-N 3.12Å
138K93.8Very high90.4Very high133 Ų13394.8 Ų94.858%0.57848%0.478SS*.SBendtrans-140.9148.8175.1-70.1-166.1172.5-161.50107.5V128 A132 L133V128-K138 HydrophobicContact CG1-CB 3.74Å; V128-K138 HydrophobicContact CG1-CD 3.98Å; V128-K138 HydrophobicContact CG1-CG 4.48Å; A132-K138 HydrophobicContact CB-CB 4.08Å; A132-K138 HydrophobicContact CB-CD 4.33Å; A132-K138 HydrophobicContact CB-CG 4.09Å; A132-K138 PolarHBondContact O-N 3.28Å; L133-K138 WeakPolarHBondContact CD2-O 3.19Å
139E89.9Confident90Very high163 Ų163100.3 Ų100.376%0.76251%0.506SS*.PPolyproline II helixtrans-96.1161.6170.7-63.6-172.4171.500110.5
140R84.3Confident89.6Confident78 Ų78104.6 Ų104.629%0.29452%0.522SS..PPolyproline II helixtrans-70.2131173.3178.3177167.5124.94.7108.3F93 D98 L133 R142F93-R140 PolarHBondContact O-NH1 3.28Å; D98-R140 IonicContact OD1-CZ 3.32Å; D98-R140 IonicContact OD1-NH1 3.03Å; D98-R140 IonicContact OD1-NH2 2.69Å; D98-R140 PolarHBondContact OD1-NH2 3.46Å; D98-R140 IonicContact OD2-CZ 3.4Å; D98-R140 IonicContact OD2-NH1 3.6Å; D98-R140 PolarHBondContact OD2-NH1 3.18Å; D98-R140 IonicContact OD2-NH2 2.68Å; D98-R140 PolarHBondContact OD2-NH2 2.95Å; L133-R140 HydrophobicContact CD2-CB 4.26Å; R140-R142 PolarHBondContact O-N 3.45Å
141L80.6Confident89.1Confident112 Ų112112.4 Ų112.459%0.58656%0.561SS**PPolyproline II helixtrans-61.4125.3172-70.4158.4000108.2V128V128-L141 HydrophobicContact CG2-CD1 3.96Å; V128-L141 HydrophobicContact CG2-CG 4.2Å
142R73.3Confident88.4Confident239 Ų239115.9 Ų115.990%0.90258%0.577SS**PPolyproline II helixtrans-75.5128.8173.3-65-176.4-170.3175.83.9108.1R140R140-R142 PolarHBondContact O-N 3.45Å
143S67.3Low87.7Confident183 Ų183124.9 Ų124.9100%1.2862%0.616SS**  trans-88.10167.3-480000109.7

Retrieved 143 of 143 residues in 69.8 ms (Link to these results)

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