A0A077Z6C6_TRITR Loading...

EGF domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6C6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 120 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
1M54.4Low57.4Low193 Ų193127.1 Ų127.195%0.95159%0.587SS**  0-19.20-59.5-136.987.600115.1
2Y51.8Low57.6Low179 Ų179124.8 Ų124.870%0.70258%0.582SS**Hα-helixtrans-71-33-179.4-102.5-97.1000116Q5 R6Y2-Q5 PolarHBondContact O-N 2.93Å; Y2-R6 PolarHBondContact O-N 2.98Å
3L52.3Low58.2Low146 Ų146132.8 Ų132.876%0.76460%0.604SS**Hα-helixtrans-64.9-43-178.3-92.9135.8000112.7Q5 R6 V7L3-Q5 PolarHBondContact O-N 3.31Å; L3-R6 PolarHBondContact O-N 3.49Å; L3-V7 WeakPolarHBondContact O-CG2 3.43Å; L3-V7 PolarHBondContact O-N 3.49Å
4L51.5Low58.5Low111 Ų111129.6 Ų129.658%0.58159%0.594SS**Hα-helixtrans-61.7-40.5177.7-85.2159.1000112.6Y8L4-Y8 WeakPolarHBondContact O-CB 3.37Å; L4-Y8 PolarHBondContact O-N 2.89Å; L4-Y8 VanDerWaalsContact O-N 3.08Å
5Q57Low58.2Low112 Ų112123 Ų12352%0.52358%0.575SS.*Hα-helixtrans-70.2-30.4176.5-78.7-179.9-20.800113.2Y2 L3 R9Y2-Q5 PolarHBondContact O-N 2.93Å; L3-Q5 PolarHBondContact O-N 3.31Å; Q5-R9 WeakPolarHBondContact O-CB 3.32Å; Q5-R9 PolarHBondContact O-N 3.45Å; Q5-R9 VanDerWaalsContact O-N 3.08Å
6R61.4Low58Low183 Ų183126 Ų12669%0.69158%0.581SS**Hα-helixtrans-70-45.6174.6-91.7-176.8166.4-177-3.1111.5Y2 L3 Y8 R9 H10Y2-R6 PolarHBondContact O-N 2.98Å; L3-R6 PolarHBondContact O-N 3.49Å; R6-Y8 VanDerWaalsContact C-N 3.31Å; R6-Y8 PolarHBondContact O-N 3.42Å; R6-R9 PolarHBondContact O-N 3.17Å; R6-H10 WeakPolarHBondContact O-CB 3.41Å; R6-H10 PolarHBondContact O-N 3.02Å
7V60.5Low58Low98 Ų98120.7 Ų120.759%0.59456%0.558SS**Hα-helixtrans-60.7-42.3175.8177.10000110.7L3 H10 A11L3-V7 WeakPolarHBondContact O-CG2 3.43Å; L3-V7 PolarHBondContact O-N 3.49Å; V7-H10 WeakPolarHBondContact O-CB 3.34Å; V7-H10 PolarHBondContact O-N 3.37Å; V7-A11 WeakPolarHBondContact O-CB 3.43Å; V7-A11 PolarHBondContact O-N 3.2Å
8Y57.2Low57.7Low72 Ų72117.6 Ų117.628%0.28255%0.552SS.*Hα-helixtrans-63.5-43.2177.5-153.2-100.4000112.8L4 R6 H10 A11 L12 I17 L34 Q35 R36 G37L4-Y8 WeakPolarHBondContact O-CB 3.37Å; L4-Y8 PolarHBondContact O-N 2.89Å; L4-Y8 VanDerWaalsContact O-N 3.08Å; R6-Y8 VanDerWaalsContact C-N 3.31Å; R6-Y8 PolarHBondContact O-N 3.42Å; Y8-H10 VanDerWaalsContact C-N 3.33Å; Y8-H10 PolarHBondContact O-N 2.9Å; Y8-A11 PolarHBondContact O-N 3.1Å; Y8-L12 HydrophobicContact CD1-CD1 3.9Å; Y8-L12 HydrophobicContact CE1-CD1 4.14Å; Y8-L12 WeakPolarHBondContact O-CG 3.49Å; Y8-L12 PolarHBondContact O-N 3.43Å; Y8-I17 HydrophobicContact CD2-CD1 4.15Å; Y8-I17 HydrophobicContact CE1-CD1 4.34Å; Y8-I17 HydrophobicContact CE2-CD1 3.84Å; Y8-L34 PolarHBondContact OH-O 3.03Å; Y8-Q35 WeakPolarHBondContact CE1-O 3.31Å; Y8-Q35 PolarHBondContact OH-O 3.46Å; Y8-R36 WeakPolarHBondContact OH-CA 3.02Å; Y8-G37 PolarHBondContact OH-N 2.99Å
9R65.4Low57.2Low149 Ų149120.2 Ų120.256%0.56256%0.561SS**Hα-helixtrans-65.5-35173.3-83.3-171.9-80.8-148.4-4.2112.6Q5 R6 L12 R13Q5-R9 WeakPolarHBondContact O-CB 3.32Å; Q5-R9 PolarHBondContact O-N 3.45Å; Q5-R9 VanDerWaalsContact O-N 3.08Å; R6-R9 PolarHBondContact O-N 3.17Å; R9-L12 PolarHBondContact O-N 3.45Å; R9-R13 VanDerWaalsContact O-CB 3.32Å; R9-R13 WeakPolarHBondContact O-CB 3.4Å; R9-R13 PolarHBondContact O-N 3.34Å
10H64.4Low56.9Low130 Ų130119 Ų11960%0.60256%0.558SS**Hα-helixtrans-68-41.4175.7-143.2-93.7000111.4R6 V7 Y8 L12 R13 N14R6-H10 WeakPolarHBondContact O-CB 3.41Å; R6-H10 PolarHBondContact O-N 3.02Å; V7-H10 WeakPolarHBondContact O-CB 3.34Å; V7-H10 PolarHBondContact O-N 3.37Å; Y8-H10 VanDerWaalsContact C-N 3.33Å; Y8-H10 PolarHBondContact O-N 2.9Å; H10-L12 VanDerWaalsContact C-N 3.34Å; H10-L12 PolarHBondContact O-N 3.38Å; H10-R13 PolarHBondContact O-N 3.06Å; H10-N14 PolarHBondContact CE1-ND2 2.97Å; H10-N14 VanDerWaalsContact CE1-ND2 3.34Å; H10-N14 PolarHBondContact ND1-ND2 3.14Å; H10-N14 WeakPolarHBondContact O-CB 3.43Å; H10-N14 PolarHBondContact O-N 2.99Å; H10-N14 PolarHBondContact O-ND2 3.1Å
11A55.2Low56.6Low25 Ų25114.7 Ų114.721%0.20754%0.539CS..Hα-helixtrans-67-31.7175.200000113.1V7 Y8 G15 Y16 I17V7-A11 WeakPolarHBondContact O-CB 3.43Å; V7-A11 PolarHBondContact O-N 3.2Å; Y8-A11 PolarHBondContact O-N 3.1Å; A11-G15 PolarHBondContact O-N 3.18Å; A11-Y16 PolarHBondContact O-N 3.43Å; A11-Y16 VanDerWaalsContact O-N 3.17Å; A11-I17 HydrophobicContact CB-CD1 3.76Å; A11-I17 HydrophobicContact CB-CG1 4.05Å; A11-I17 PolarHBondContact O-N 3.28Å
12L60.4Low56.4Low100 Ų100116 Ų11652%0.52453%0.533SS..Hα-helixtrans-68.9-45.6170.3-78.2164.3000111.9Y8 R9 H10 N14 G15 I17Y8-L12 HydrophobicContact CD1-CD1 3.9Å; Y8-L12 HydrophobicContact CE1-CD1 4.14Å; Y8-L12 WeakPolarHBondContact O-CG 3.49Å; Y8-L12 PolarHBondContact O-N 3.43Å; R9-L12 PolarHBondContact O-N 3.45Å; H10-L12 VanDerWaalsContact C-N 3.34Å; H10-L12 PolarHBondContact O-N 3.38Å; L12-N14 VanDerWaalsContact C-N 3.33Å; L12-N14 PolarHBondContact O-N 2.79Å; L12-G15 PolarHBondContact O-N 3.2Å; L12-I17 HydrophobicContact CD2-CG2 4.28Å; L12-I17 HydrophobicContact CG-CD1 4.36Å
13R65.2Low56.7Low229 Ų229110.8 Ų110.886%0.86452%0.523SS*.Hα-helixtrans-70.2-28.7-176.8-152.9177.2-164.2171.53.4113.2R9 H10R9-R13 VanDerWaalsContact O-CB 3.32Å; R9-R13 WeakPolarHBondContact O-CB 3.4Å; R9-R13 PolarHBondContact O-N 3.34Å; H10-R13 PolarHBondContact O-N 3.06Å
14N61.8Low57.6Low88 Ų88104.2 Ų104.247%0.47149%0.489SS..THydrogen-bonded Turntrans-95.17.9177.1-69.1-81.7000113.1H10 L12 Y16H10-N14 PolarHBondContact CE1-ND2 2.97Å; H10-N14 VanDerWaalsContact CE1-ND2 3.34Å; H10-N14 PolarHBondContact ND1-ND2 3.14Å; H10-N14 WeakPolarHBondContact O-CB 3.43Å; H10-N14 PolarHBondContact O-N 2.99Å; H10-N14 PolarHBondContact O-ND2 3.1Å; L12-N14 VanDerWaalsContact C-N 3.33Å; L12-N14 PolarHBondContact O-N 2.79Å; N14-Y16 HydrophobicContact CB-CD2 3.58Å; N14-Y16 HydrophobicContact CB-CE2 3.92Å; N14-Y16 WeakPolarHBondContact O-CD2 3.47Å; N14-Y16 PolarHBondContact O-N 2.8Å
15G54.7Low58.8Low30 Ų3099.9 Ų99.931%0.30947%0.468SS..THydrogen-bonded Turntrans68.42.8175.100000115.8A11 L12 I17 S18 F19A11-G15 PolarHBondContact O-N 3.18Å; L12-G15 PolarHBondContact O-N 3.2Å; G15-I17 VanDerWaalsContact C-N 3.32Å; G15-I17 PolarHBondContact O-N 3.08Å; G15-S18 CarbonylContact O-C 3.29Å; G15-S18 WeakPolarHBondContact O-CA 3.49Å; G15-S18 WeakPolarHBondContact O-CB 3.41Å; G15-S18 PolarHBondContact O-N 2.83Å; G15-F19 PolarHBondContact O-N 3.47Å
16Y55.2Low60Low171 Ų17198.7 Ų98.767%0.67146%0.462SS*.Hα-helixtrans-62.6-37.1-179-83.5-89.9000112.7A11 N14 I20A11-Y16 PolarHBondContact O-N 3.43Å; A11-Y16 VanDerWaalsContact O-N 3.17Å; N14-Y16 HydrophobicContact CB-CD2 3.58Å; N14-Y16 HydrophobicContact CB-CE2 3.92Å; N14-Y16 WeakPolarHBondContact O-CD2 3.47Å; N14-Y16 PolarHBondContact O-N 2.8Å; Y16-I20 PolarHBondContact O-N 3.37Å
17I57.8Low60.9Low36 Ų3693.5 Ų93.519%0.18545%0.448CS..Hα-helixtrans-68.3-37.9172-81.8169.1000110.8Y8 A11 L12 G15 F19 L21Y8-I17 HydrophobicContact CD2-CD1 4.15Å; Y8-I17 HydrophobicContact CE1-CD1 4.34Å; Y8-I17 HydrophobicContact CE2-CD1 3.84Å; A11-I17 HydrophobicContact CB-CD1 3.76Å; A11-I17 HydrophobicContact CB-CG1 4.05Å; A11-I17 PolarHBondContact O-N 3.28Å; L12-I17 HydrophobicContact CD2-CG2 4.28Å; L12-I17 HydrophobicContact CG-CD1 4.36Å; G15-I17 VanDerWaalsContact C-N 3.32Å; G15-I17 PolarHBondContact O-N 3.08Å; I17-F19 PolarHBondContact O-N 2.94Å; I17-L21 HydrophobicContact CG2-CD1 3.61Å; I17-L21 WeakPolarHBondContact O-CD1 3.29Å; I17-L21 PolarHBondContact O-N 3.44Å
18S52.1Low61.7Low65 Ų6592.1 Ų92.146%0.45545%0.454SS..Hα-helixtrans-67.5-34.2178.6-177.30000113.2G15 L21 R22G15-S18 CarbonylContact O-C 3.29Å; G15-S18 WeakPolarHBondContact O-CA 3.49Å; G15-S18 WeakPolarHBondContact O-CB 3.41Å; G15-S18 PolarHBondContact O-N 2.83Å; S18-L21 PolarHBondContact O-N 3.34Å; S18-R22 PolarHBondContact O-N 3.31Å; S18-R22 VanDerWaalsContact O-N 3.1Å
19F48.3Very low62.8Low166 Ų16689.4 Ų89.473%0.72845%0.448SS*.Hα-helixtrans-73.5-36.6179.8-163.2-96.9000112.1G15 I17 S23G15-F19 PolarHBondContact O-N 3.47Å; I17-F19 PolarHBondContact O-N 2.94Å; F19-S23 PolarHBondContact O-N 2.87Å; F19-S23 PolarHBondContact O-OG 2.97Å
20I51.9Low63.3Low97 Ų9790.2 Ų90.250%0.49746%0.455SS..Hα-helixtrans-69.5-34.9171.2-63.6-172.9000110.7Y16 S24 F38Y16-I20 PolarHBondContact O-N 3.37Å; I20-S24 WeakPolarHBondContact O-CB 3.42Å; I20-S24 PolarHBondContact O-N 3.45Å; I20-S24 PolarHBondContact O-OG 3.08Å; I20-F38 HydrophobicContact CG2-CD1 4.22Å; I20-F38 HydrophobicContact CG2-CE1 3.86Å
21L50.9Low63.9Low28 Ų2886 Ų8615%0.14744%0.44CS..Hα-helixtrans-65.6-40.6176.5-101101.6000113.1I17 S18 C31 A33 F38I17-L21 HydrophobicContact CG2-CD1 3.61Å; I17-L21 WeakPolarHBondContact O-CD1 3.29Å; I17-L21 PolarHBondContact O-N 3.44Å; S18-L21 PolarHBondContact O-N 3.34Å; L21-C31 HydrophobicContact CB-CB 4.37Å; L21-C31 HydrophobicContact CD2-CB 4.06Å; L21-C31 HydrophobicContact CG-CB 4.4Å; L21-C31 VanDerWaalsContact CG-SG 3.55Å; L21-C31 WeakPolarHBondContact O-CB 3.18Å; L21-C31 PolarHBondContact O-SG 2.79Å; L21-A33 HydrophobicContact CD2-CB 3.88Å; L21-F38 HydrophobicContact CD1-CB 3.87Å; L21-F38 HydrophobicContact CD2-CB 4.24Å; L21-F38 HydrophobicContact CG-CB 3.71Å; L21-F38 HydrophobicContact CG-CG 4.41Å
22R48.6Very low64.8Low220 Ų22088.5 Ų88.583%0.8345%0.448SS*.Hα-helixtrans-74.3-31.1-176.2-94.3-177.5175.2176.6-1.4114.4S18S18-R22 PolarHBondContact O-N 3.31Å; S18-R22 VanDerWaalsContact O-N 3.1Å
23S59.7Low65.1Low70 Ų7087 Ų8749%0.4945%0.449SS..Hα-helixtrans-94.9-9.1-177.967.70000113.8F19 R50F19-S23 PolarHBondContact O-N 2.87Å; F19-S23 PolarHBondContact O-OG 2.97Å; S23-R50 PolarHBondContact O-NH2 3.04Å
24S71.1Confident65.1Low9 Ų979.8 Ų79.86%0.06343%0.428CS..Hα-helixtrans-79.6-44.6-172.9-69.90000113.2I20 Q26 F38 R50I20-S24 WeakPolarHBondContact O-CB 3.42Å; I20-S24 PolarHBondContact O-N 3.45Å; I20-S24 PolarHBondContact O-OG 3.08Å; S24-Q26 PolarHBondContact O-N 3.03Å; S24-F38 VanDerWaalsContact OG-CZ 3.26Å; S24-F38 WeakPolarHBondContact OG-CZ 3.46Å; S24-R50 WeakPolarHBondContact O-CB 3.48Å; S24-R50 VanDerWaalsContact O-CG 3.25Å; S24-R50 WeakPolarHBondContact O-CG 3.16Å; S24-R50 PolarHBondContact O-NE 3.21Å
25C76.4Confident65.2Low20 Ų2084.7 Ų84.714%0.13545%0.447CS..  trans-80.9118.1-178.4-48.20000110.8G29 C31 C40 R50C25-G29 VanDerWaalsContact CB-O 3.29Å; C25-G29 WeakPolarHBondContact CB-O 3.07Å; C25-C31 VanDerWaalsContact SG-CA 3.56Å; C25-C31 VanDerWaalsContact SG-CB 3.5Å; C25-C31 PolarHBondContact SG-SG 3.46Å; C25-C40 WeakPolarHBondContact CA-SG 3.23Å; C25-C40 HydrophobicContact CB-CB 3.79Å; C25-C40 WeakPolarHBondContact CB-SG 3Å; C25-C40 WeakPolarHBondContact SG-CA 3.18Å; C25-C40 WeakPolarHBondContact SG-CB 3.43Å; C25-C40 CovalentContact SG-SG 2.02Å; C25-C40 PolarHBondContact SG-SG 3.31Å; C25-R50 CarbonylContact C-O 3.55Å; C25-R50 WeakPolarHBondContact CA-O 3.15Å
26Q81.3Confident65.5Low87 Ų8792.3 Ų92.341%0.40747%0.467SS..  trans-83.5171171.8-62.5-166.4-3.500110.9S24 G28 G29 R50 C51 E52S24-Q26 PolarHBondContact O-N 3.03Å; Q26-G28 VanDerWaalsContact C-N 3.27Å; Q26-G28 PolarHBondContact O-N 3.04Å; Q26-G28 VanDerWaalsContact O-N 3.09Å; Q26-G29 PolarHBondContact O-N 3.49Å; Q26-R50 PolarHBondContact N-O 2.77Å; Q26-C51 WeakPolarHBondContact O-CB 3.34Å; Q26-E52 HydrophobicContact CG-CB 4.48Å
27N80.3Confident66.1Low73 Ų7386 Ų8639%0.3945%0.454SS..THydrogen-bonded Turntrans52.436.8169.8-60.1-44.1000115.8G29 P43 F46 C51 E52N27-G29 VanDerWaalsContact C-N 3.31Å; N27-G29 PolarHBondContact O-N 3.09Å; N27-P43 WeakPolarHBondContact O-CG 3.26Å; N27-F46 HydrophobicContact CB-CD1 3.14Å; N27-F46 HydrophobicContact CB-CD2 4.48Å; N27-F46 HydrophobicContact CB-CE1 3.28Å; N27-F46 HydrophobicContact CB-CG 3.82Å; N27-F46 HydrophobicContact CB-CZ 4.01Å; N27-F46 VanDerWaalsContact CG-CD1 3.44Å; N27-F46 WeakPolarHBondContact ND2-CD1 3.48Å; N27-C51 WeakPolarHBondContact CB-O 3.34Å; N27-C51 PolarHBondContact ND2-O 3.22Å; N27-E52 PolarHBondContact ND2-O 3.43Å
28G78Confident66.9Low69 Ų6985.6 Ų85.671%0.71145%0.451SS*.THydrogen-bonded Turntrans77.213178.900000114.8Q26Q26-G28 VanDerWaalsContact C-N 3.27Å; Q26-G28 PolarHBondContact O-N 3.04Å; Q26-G28 VanDerWaalsContact O-N 3.09Å
29G80.6Confident67.8Low15 Ų1588.6 Ų88.616%0.15545%0.452CS..PPolyproline II helixtrans-59.3136.1171.900000113.1C25 Q26 N27 I41C25-G29 VanDerWaalsContact CB-O 3.29Å; C25-G29 WeakPolarHBondContact CB-O 3.07Å; Q26-G29 PolarHBondContact O-N 3.49Å; N27-G29 VanDerWaalsContact C-N 3.31Å; N27-G29 PolarHBondContact O-N 3.09Å; G29-I41 CarbonylContact C-O 3.57Å; G29-I41 VanDerWaalsContact CA-O 3.31Å; G29-I41 WeakPolarHBondContact CA-O 3.2Å
30K76.3Confident69.3Low166 Ų16681.6 Ų81.672%0.72242%0.424SS*.EExtended strand (participates in β ladder)trans-87.7122.5173-84.8-177.6178.4175.60110.1I41K30-I41 HydrophobicContact CB-CB 4.37Å; K30-I41 PolarHBondContact N-O 2.03Å; K30-I41 PolarHBondContact O-N 3.27Å
31C77Confident70.7Confident42 Ų4281 Ų8128%0.28442%0.421SS..EExtended strand (participates in β ladder)trans-81.3126178.3-148.90000111L21 C25 F38L21-C31 HydrophobicContact CB-CB 4.37Å; L21-C31 HydrophobicContact CD2-CB 4.06Å; L21-C31 HydrophobicContact CG-CB 4.4Å; L21-C31 VanDerWaalsContact CG-SG 3.55Å; L21-C31 WeakPolarHBondContact O-CB 3.18Å; L21-C31 PolarHBondContact O-SG 2.79Å; C25-C31 VanDerWaalsContact SG-CA 3.56Å; C25-C31 VanDerWaalsContact SG-CB 3.5Å; C25-C31 PolarHBondContact SG-SG 3.46Å; C31-F38 WeakPolarHBondContact SG-CD2 3.4Å
32Q73.1Confident71.9Confident78 Ų7881.7 Ų81.736%0.36443%0.427SS..EExtended strand (participates in β ladder)trans-112.3123.8176.1-170.8173.827.600109.9F38 R39 I41Q32-F38 WeakPolarHBondContact O-CA 3.46Å; Q32-R39 HydrophobicContact CB-CG 4.02Å; Q32-R39 PolarHBondContact N-O 3.27Å; Q32-R39 PolarHBondContact O-N 2.6Å; Q32-I41 HydrophobicContact CB-CD1 4.26Å; Q32-I41 HydrophobicContact CB-CG1 4.43Å
33A67.5Low73.1Confident67 Ų6773 Ų7355%0.55440%0.399SS*.EExtended strand (participates in β ladder)trans-72.7136.3176.200000110.6L21L21-A33 HydrophobicContact CD2-CB 3.88Å
34L64.5Low73.5Confident79 Ų7975.7 Ų75.741%0.41442%0.415SS..  trans-111.7164.2173.9-64.3172.9000109.7Y8 R36 G37 R39Y8-L34 PolarHBondContact OH-O 3.03Å; L34-R36 PolarHBondContact O-N 2.88Å; L34-R36 VanDerWaalsContact O-N 3.1Å; L34-G37 PolarHBondContact N-O 3.38Å; L34-R39 HydrophobicContact CD1-CB 4.06Å; L34-R39 HydrophobicContact CD1-CG 4.14Å; L34-R39 HydrophobicContact CD2-CG 4.49Å; L34-R39 HydrophobicContact CG-CG 4.35Å
35Q64.9Low73.2Confident190 Ų19077.5 Ų77.589%0.88844%0.435SS*.SBendtrans-56-27.6176.1-81.8-173.2-16.600112.9Y8Y8-Q35 WeakPolarHBondContact CE1-O 3.31Å; Y8-Q35 PolarHBondContact OH-O 3.46Å
36R60.5Low73.1Confident191 Ų19179.1 Ų79.172%0.72144%0.44SS*.SBendtrans-137.2107165.3-71.3-172.9175.7-171.20.6108.9Y8 L34Y8-R36 WeakPolarHBondContact OH-CA 3.02Å; L34-R36 PolarHBondContact O-N 2.88Å; L34-R36 VanDerWaalsContact O-N 3.1Å
37G68.5Low72.5Confident38 Ų3879.1 Ų79.139%0.39244%0.439SS..SBendtrans95-155.1174.500000114.5Y8 L34Y8-G37 PolarHBondContact OH-N 2.99Å; L34-G37 PolarHBondContact N-O 3.38Å
38F73.6Confident71.9Confident27 Ų2777.2 Ų77.212%0.11844%0.437CS..EExtended strand (participates in β ladder)trans-140.5159.3-179.274.3-86.1000110.6I20 L21 S24 C31 Q32 Y49I20-F38 HydrophobicContact CG2-CD1 4.22Å; I20-F38 HydrophobicContact CG2-CE1 3.86Å; L21-F38 HydrophobicContact CD1-CB 3.87Å; L21-F38 HydrophobicContact CD2-CB 4.24Å; L21-F38 HydrophobicContact CG-CB 3.71Å; L21-F38 HydrophobicContact CG-CG 4.41Å; S24-F38 VanDerWaalsContact OG-CZ 3.26Å; S24-F38 WeakPolarHBondContact OG-CZ 3.46Å; C31-F38 WeakPolarHBondContact SG-CD2 3.4Å; Q32-F38 WeakPolarHBondContact O-CA 3.46Å; F38-Y49 HydrophobicContact CE1-CE1 4.31Å; F38-Y49 HydrophobicContact CE2-CE1 4.08Å; F38-Y49 AromaticContact CZ-CE1 3.6Å; F38-Y49 HydrophobicContact CZ-CE1 3.6Å; F38-Y49 AromaticContact CZ-CZ 3.84Å; F38-Y49 PolarHBondContact O-OH 3.06Å
39R71.8Confident71.7Confident128 Ų12880.9 Ų80.948%0.48343%0.43SS..EExtended strand (participates in β ladder)trans-131.5146.8165.368.5176.9-172.7173.13.4110.4Q32 L34Q32-R39 HydrophobicContact CB-CG 4.02Å; Q32-R39 PolarHBondContact N-O 3.27Å; Q32-R39 PolarHBondContact O-N 2.6Å; L34-R39 HydrophobicContact CD1-CB 4.06Å; L34-R39 HydrophobicContact CD1-CG 4.14Å; L34-R39 HydrophobicContact CD2-CG 4.49Å; L34-R39 HydrophobicContact CG-CG 4.35Å
40C79.6Confident71.6Confident20 Ų2084.5 Ų84.514%0.13544%0.439CS..EExtended strand (participates in β ladder)trans-92.5128.7172.3-66.20000110.4C25 C51C25-C40 WeakPolarHBondContact CA-SG 3.23Å; C25-C40 HydrophobicContact CB-CB 3.79Å; C25-C40 WeakPolarHBondContact CB-SG 3Å; C25-C40 WeakPolarHBondContact SG-CA 3.18Å; C25-C40 WeakPolarHBondContact SG-CB 3.43Å; C25-C40 CovalentContact SG-SG 2.02Å; C25-C40 PolarHBondContact SG-SG 3.31Å; C40-C51 VanDerWaalsContact CB-SG 3.51Å
41I79.9Confident71.8Confident85 Ų8576.6 Ų76.644%0.43641%0.405SS..EExtended strand (participates in β ladder)trans-91.9107.7167.6-55.2179.3000106.6G29 K30 Q32G29-I41 CarbonylContact C-O 3.57Å; G29-I41 VanDerWaalsContact CA-O 3.31Å; G29-I41 WeakPolarHBondContact CA-O 3.2Å; K30-I41 HydrophobicContact CB-CB 4.37Å; K30-I41 PolarHBondContact N-O 2.03Å; K30-I41 PolarHBondContact O-N 3.27Å; Q32-I41 HydrophobicContact CB-CD1 4.26Å; Q32-I41 HydrophobicContact CB-CG1 4.43Å
42C75.9Confident71.7Confident41 Ų4177.5 Ų77.528%0.27741%0.405SS..PPolyproline II helixtrans-81.2138.5-175.6-54.30000111.9F46 C51C42-F46 HydrophobicContact CB-CB 4.25Å; C42-F46 VanDerWaalsContact CB-O 3.23Å; C42-F46 WeakPolarHBondContact CB-O 3.32Å; C42-C51 WeakPolarHBondContact CA-SG 3.03Å; C42-C51 HydrophobicContact CB-CB 3.76Å; C42-C51 WeakPolarHBondContact CB-SG 2.97Å; C42-C51 WeakPolarHBondContact SG-CA 3.4Å; C42-C51 WeakPolarHBondContact SG-CB 3.29Å; C42-C51 CovalentContact SG-SG 2.03Å; C42-C51 PolarHBondContact SG-SG 2.02Å
43P74.9Confident71.5Confident38 Ų3878.8 Ų78.825%0.24741%0.409CS..PPolyproline II helixtrans-66.2160.4170.124.7-29.3000110.9N27 G45 F46N27-P43 WeakPolarHBondContact O-CG 3.26Å; P43-G45 PolarHBondContact O-N 2.73Å; P43-F46 HydrophobicContact CB-CD2 4.43Å; P43-F46 HydrophobicContact CG-CB 4.39Å; P43-F46 HydrophobicContact CG-CD2 3.74Å; P43-F46 HydrophobicContact CG-CE2 4.41Å; P43-F46 HydrophobicContact CG-CG 4.3Å; P43-F46 PolarHBondContact O-N 3.43Å
44P68.3Low71.2Confident127 Ų12777 Ų7783%0.82540%0.397SS*.THydrogen-bonded Turntrans-51.9130.9-179.6-25.833.9000112.2
45G64Low70.6Confident47 Ų4778.5 Ų78.549%0.48541%0.406SS..THydrogen-bonded Turntrans88.9-5.4-178.900000115.1P43 N55P43-G45 PolarHBondContact O-N 2.73Å; G45-N55 WeakPolarHBondContact O-CA 3.39Å; G45-N55 PolarHBondContact O-N 3.23Å
46F74.5Confident69.7Low53 Ų5372.1 Ų72.123%0.23239%0.385CS..EExtended strand (participates in β ladder)trans-110.7146.7175.6-63.8-91.9000111.7N27 C42 P43 C51 F53 N55N27-F46 HydrophobicContact CB-CD1 3.14Å; N27-F46 HydrophobicContact CB-CD2 4.48Å; N27-F46 HydrophobicContact CB-CE1 3.28Å; N27-F46 HydrophobicContact CB-CG 3.82Å; N27-F46 HydrophobicContact CB-CZ 4.01Å; N27-F46 VanDerWaalsContact CG-CD1 3.44Å; N27-F46 WeakPolarHBondContact ND2-CD1 3.48Å; C42-F46 HydrophobicContact CB-CB 4.25Å; C42-F46 VanDerWaalsContact CB-O 3.23Å; C42-F46 WeakPolarHBondContact CB-O 3.32Å; P43-F46 HydrophobicContact CB-CD2 4.43Å; P43-F46 HydrophobicContact CG-CB 4.39Å; P43-F46 HydrophobicContact CG-CD2 3.74Å; P43-F46 HydrophobicContact CG-CE2 4.41Å; P43-F46 HydrophobicContact CG-CG 4.3Å; P43-F46 PolarHBondContact O-N 3.43Å; F46-C51 HydrophobicContact CB-CB 4.34Å; F46-F53 CarbonylContact C-O 3.54Å; F46-F53 WeakPolarHBondContact CA-O 3.39Å; F46-N55 WeakPolarHBondContact CE1-OD1 3.44Å; F46-N55 WeakPolarHBondContact CZ-OD1 3.45Å
47F69.9Low69Low87 Ų8772.8 Ų72.838%0.38239%0.388SS..EExtended strand (participates in β ladder)trans-150.4174.1-176.860.2-86.4000111.6C51 E52 F53F47-C51 CarbonylContact O-C 3.49Å; F47-C51 VanDerWaalsContact O-C 3.29Å; F47-C51 VanDerWaalsContact O-CA 3.29Å; F47-C51 WeakPolarHBondContact O-CA 3.19Å; F47-E52 PolarHBondContact O-N 3.18Å; F47-F53 HydrophobicContact CD1-CB 4.15Å; F47-F53 HydrophobicContact CD2-CB 3.6Å; F47-F53 AromaticContact CD2-CD2 3.89Å; F47-F53 HydrophobicContact CD2-CD2 3.89Å; F47-F53 HydrophobicContact CD2-CG 4.11Å; F47-F53 HydrophobicContact CE1-CB 3.94Å; F47-F53 HydrophobicContact CE2-CB 3.36Å; F47-F53 AromaticContact CE2-CD2 3.95Å; F47-F53 HydrophobicContact CE2-CD2 3.95Å; F47-F53 AromaticContact CE2-CG 3.83Å; F47-F53 HydrophobicContact CE2-CG 3.83Å; F47-F53 HydrophobicContact CG-CB 3.99Å; F47-F53 HydrophobicContact CZ-CB 3.55Å; F47-F53 HydrophobicContact CZ-CG 4.39Å; F47-F53 PolarHBondContact N-O 2.7Å; F47-F53 WeakPolarHBondContact O-CB 3.23Å; F47-F53 PolarHBondContact O-N 2.72Å
48G67.2Low68Low34 Ų3474.1 Ų74.135%0.35139%0.385SS..SBendtrans103.5166.4-171.700000112.7R50 C51 E52G48-R50 PolarHBondContact O-N 2.7Å; G48-C51 PolarHBondContact O-N 2.75Å; G48-C51 VanDerWaalsContact O-N 3.16Å; G48-E52 VanDerWaalsContact C-OE2 3.24Å; G48-E52 WeakPolarHBondContact CA-OE2 3.25Å
49Y74.1Confident66.7Low146 Ų14682 Ų8257%0.57341%0.414SS*.THydrogen-bonded Turntrans-61.2-30.4-177.3177.7-112.9000112.1F38 E52F38-Y49 HydrophobicContact CE1-CE1 4.31Å; F38-Y49 HydrophobicContact CE2-CE1 4.08Å; F38-Y49 AromaticContact CZ-CE1 3.6Å; F38-Y49 HydrophobicContact CZ-CE1 3.6Å; F38-Y49 AromaticContact CZ-CZ 3.84Å; F38-Y49 PolarHBondContact O-OH 3.06Å; Y49-E52 PolarHBondContact N-OE2 3.31Å
50R78.6Confident65.7Low91 Ų9179 Ų7934%0.34341%0.407SS..THydrogen-bonded Turntrans-113.713.1-179.1-72-178.970.6176.73.2111.6S23 S24 C25 Q26 G48 E52S23-R50 PolarHBondContact O-NH2 3.04Å; S24-R50 WeakPolarHBondContact O-CB 3.48Å; S24-R50 VanDerWaalsContact O-CG 3.25Å; S24-R50 WeakPolarHBondContact O-CG 3.16Å; S24-R50 PolarHBondContact O-NE 3.21Å; C25-R50 CarbonylContact C-O 3.55Å; C25-R50 WeakPolarHBondContact CA-O 3.15Å; Q26-R50 PolarHBondContact N-O 2.77Å; G48-R50 PolarHBondContact O-N 2.7Å; R50-E52 VanDerWaalsContact C-OE2 3.23Å; R50-E52 VanDerWaalsContact CA-OE2 3.23Å; R50-E52 WeakPolarHBondContact CA-OE2 3.4Å; R50-E52 HydrophobicContact CB-CB 4.42Å; R50-E52 WeakPolarHBondContact CB-OE2 3.36Å; R50-E52 PolarHBondContact N-OE2 2.71Å; R50-E52 PolarHBondContact O-N 3.16Å
51C80.2Confident64.2Low0 Ų083.7 Ų83.70%045%0.447CS..SBendtrans54.528.1-170.5-450000112.8Q26 N27 C40 C42 F46 F47 G48 F53Q26-C51 WeakPolarHBondContact O-CB 3.34Å; N27-C51 WeakPolarHBondContact CB-O 3.34Å; N27-C51 PolarHBondContact ND2-O 3.22Å; C40-C51 VanDerWaalsContact CB-SG 3.51Å; C42-C51 WeakPolarHBondContact CA-SG 3.03Å; C42-C51 HydrophobicContact CB-CB 3.76Å; C42-C51 WeakPolarHBondContact CB-SG 2.97Å; C42-C51 WeakPolarHBondContact SG-CA 3.4Å; C42-C51 WeakPolarHBondContact SG-CB 3.29Å; C42-C51 CovalentContact SG-SG 2.03Å; C42-C51 PolarHBondContact SG-SG 2.02Å; F46-C51 HydrophobicContact CB-CB 4.34Å; F47-C51 CarbonylContact O-C 3.49Å; F47-C51 VanDerWaalsContact O-C 3.29Å; F47-C51 VanDerWaalsContact O-CA 3.29Å; F47-C51 WeakPolarHBondContact O-CA 3.19Å; G48-C51 PolarHBondContact O-N 2.75Å; G48-C51 VanDerWaalsContact O-N 3.16Å; C51-F53 VanDerWaalsContact C-N 3.25Å; C51-F53 PolarHBondContact O-N 2.84Å
52E74.3Confident62.7Low61 Ų6189.2 Ų89.229%0.28546%0.463SS..  trans-71.1-22.6-174.966.3-86.4-146.600112.5Q26 N27 F47 G48 Y49 R50Q26-E52 HydrophobicContact CG-CB 4.48Å; N27-E52 PolarHBondContact ND2-O 3.43Å; F47-E52 PolarHBondContact O-N 3.18Å; G48-E52 VanDerWaalsContact C-OE2 3.24Å; G48-E52 WeakPolarHBondContact CA-OE2 3.25Å; Y49-E52 PolarHBondContact N-OE2 3.31Å; R50-E52 VanDerWaalsContact C-OE2 3.23Å; R50-E52 VanDerWaalsContact CA-OE2 3.23Å; R50-E52 WeakPolarHBondContact CA-OE2 3.4Å; R50-E52 HydrophobicContact CB-CB 4.42Å; R50-E52 WeakPolarHBondContact CB-OE2 3.36Å; R50-E52 PolarHBondContact N-OE2 2.71Å; R50-E52 PolarHBondContact O-N 3.16Å
53F69.3Low61.8Low105 Ų10589.3 Ų89.346%0.46146%0.461SS..EExtended strand (participates in β ladder)trans-97.6119.8178.7-51.5-63000109.3F46 F47 C51F46-F53 CarbonylContact C-O 3.54Å; F46-F53 WeakPolarHBondContact CA-O 3.39Å; F47-F53 HydrophobicContact CD1-CB 4.15Å; F47-F53 HydrophobicContact CD2-CB 3.6Å; F47-F53 AromaticContact CD2-CD2 3.89Å; F47-F53 HydrophobicContact CD2-CD2 3.89Å; F47-F53 HydrophobicContact CD2-CG 4.11Å; F47-F53 HydrophobicContact CE1-CB 3.94Å; F47-F53 HydrophobicContact CE2-CB 3.36Å; F47-F53 AromaticContact CE2-CD2 3.95Å; F47-F53 HydrophobicContact CE2-CD2 3.95Å; F47-F53 AromaticContact CE2-CG 3.83Å; F47-F53 HydrophobicContact CE2-CG 3.83Å; F47-F53 HydrophobicContact CG-CB 3.99Å; F47-F53 HydrophobicContact CZ-CB 3.55Å; F47-F53 HydrophobicContact CZ-CG 4.39Å; F47-F53 PolarHBondContact N-O 2.7Å; F47-F53 WeakPolarHBondContact O-CB 3.23Å; F47-F53 PolarHBondContact O-N 2.72Å; C51-F53 VanDerWaalsContact C-N 3.25Å; C51-F53 PolarHBondContact O-N 2.84Å
54G61.5Low61Low28 Ų2889.2 Ų89.229%0.28946%0.46SS..EExtended strand (participates in β ladder)trans-115133.6178.900000112.6A56G54-A56 PolarHBondContact O-N 3.31Å
55N50.5Low60.9Low112 Ų11283.3 Ų83.360%0.59942%0.422SS*.  trans39.335.4154.351.7-43.2000115.5G45 F46 R57G45-N55 WeakPolarHBondContact O-CA 3.39Å; G45-N55 PolarHBondContact O-N 3.23Å; F46-N55 WeakPolarHBondContact CE1-OD1 3.44Å; F46-N55 WeakPolarHBondContact CZ-OD1 3.45Å; N55-R57 PolarHBondContact O-N 2.96Å
56A46.7Very low61Low55 Ų5585.8 Ų85.846%0.45543%0.427SS..  trans-63.89715600000104.7G54 I58G54-A56 PolarHBondContact O-N 3.31Å; A56-I58 HydrophobicContact CB-CG1 4.29Å; A56-I58 PolarHBondContact O-N 3.24Å
57R46Very low60.3Low206 Ų20687.7 Ų87.778%0.77745%0.445SS*.  trans-46.599.9142.4-72.4-178.2178.9-171.1-0.4103.8N55 R59N55-R57 PolarHBondContact O-N 2.96Å; R57-R59 PolarHBondContact O-N 2.79Å
58I47.2Very low59.8Low65 Ų6586.1 Ų86.133%0.33344%0.441SS..  trans-70.691.7171.2-66.1-171000103.2A56 L60 F92A56-I58 HydrophobicContact CB-CG1 4.29Å; A56-I58 PolarHBondContact O-N 3.24Å; I58-L60 VanDerWaalsContact C-N 3.29Å; I58-L60 HydrophobicContact CG2-CD2 4.14Å; I58-L60 HydrophobicContact CG2-CG 4.47Å; I58-L60 PolarHBondContact O-N 2.77Å; I58-L60 VanDerWaalsContact O-N 3.12Å; I58-F92 HydrophobicContact CD1-CD2 4.2Å; I58-F92 HydrophobicContact CD1-CE2 4.48Å
59R46.2Very low59.9Low193 Ų19388.6 Ų88.673%0.72845%0.451SS*.  trans-63.1105.7152.1-74.3-166.6136.7-172.9-5.5104.2R57 A61 E88R57-R59 PolarHBondContact O-N 2.79Å; R59-A61 PolarHBondContact O-N 2.95Å; R59-E88 WeakPolarHBondContact CA-O 3.46Å
60L50.1Low59.5Low66 Ų6682 Ų8235%0.34643%0.426SS..  trans-53.6113.7163.7-68.8170.1000105.1I58 W62 P64 F82I58-L60 VanDerWaalsContact C-N 3.29Å; I58-L60 HydrophobicContact CG2-CD2 4.14Å; I58-L60 HydrophobicContact CG2-CG 4.47Å; I58-L60 PolarHBondContact O-N 2.77Å; I58-L60 VanDerWaalsContact O-N 3.12Å; L60-W62 VanDerWaalsContact CB-O 3.26Å; L60-W62 WeakPolarHBondContact CB-O 3.4Å; L60-W62 PolarHBondContact O-N 2.79Å; L60-W62 VanDerWaalsContact O-N 3.13Å; L60-P64 HydrophobicContact CD1-CG 4.06Å; L60-F82 HydrophobicContact CD1-CD1 4.34Å; L60-F82 HydrophobicContact CD1-CE1 3.89Å; L60-F82 HydrophobicContact CG-CE1 4.31Å
61A49.4Very low59Low118 Ų11880.6 Ų80.698%0.97543%0.434SS*.SBendtrans-64.7-11.5176.700000111.3R59R59-A61 PolarHBondContact O-N 2.95Å
62W48.6Very low58.4Low200 Ų20086.4 Ų86.476%0.75847%0.465SS*.SBendtrans-105.1133.1172-176.6-62.7000109.2L60 P64L60-W62 VanDerWaalsContact CB-O 3.26Å; L60-W62 WeakPolarHBondContact CB-O 3.4Å; L60-W62 PolarHBondContact O-N 2.79Å; L60-W62 VanDerWaalsContact O-N 3.13Å; W62-P64 WeakPolarHBondContact O-CD 3.24Å
63D57.6Low58.3Low43 Ų4389.7 Ų89.723%0.2348%0.484CS..  trans-79.2102.9171.5-177.3-18.2000110C65 T66 N68 H86D63-C65 PolarHBondContact O-N 3.31Å; D63-C65 WeakPolarHBondContact OD1-CA 3.12Å; D63-C65 VanDerWaalsContact OD1-CB 3.23Å; D63-C65 WeakPolarHBondContact OD1-CB 3.41Å; D63-C65 PolarHBondContact OD1-N 3.24Å; D63-T66 PolarHBondContact O-N 3.04Å; D63-T66 PolarHBondContact O-OG1 3.5Å; D63-N68 WeakPolarHBondContact OD2-CB 3.29Å; D63-N68 PolarHBondContact OD2-ND2 3.33Å; D63-H86 IonicContact OD2-CG 3.83Å; D63-H86 IonicContact OD2-ND1 3.91Å
64P57.5Low58.2Low36 Ų3685.4 Ų85.423%0.23447%0.47CS..THydrogen-bonded Turntrans-68-5.8-177.232.4-38.5000113.1L60 W62 H86 C87 V102L60-P64 HydrophobicContact CD1-CG 4.06Å; W62-P64 WeakPolarHBondContact O-CD 3.24Å; P64-H86 VanDerWaalsContact CD-O 3.26Å; P64-H86 WeakPolarHBondContact CD-O 3.36Å; P64-H86 WeakPolarHBondContact CG-O 3.26Å; P64-C87 HydrophobicContact CG-CB 3.94Å; P64-V102 HydrophobicContact CB-CB 4.32Å; P64-V102 HydrophobicContact CB-CG1 4.08Å; P64-V102 HydrophobicContact CB-CG2 3.83Å
65C65.8Low58.8Low3 Ų389.5 Ų89.52%0.0248%0.478CS..THydrogen-bonded Turntrans-102.719.9-178.6-540000112.7D63 P67 N68 C76 H86D63-C65 PolarHBondContact O-N 3.31Å; D63-C65 WeakPolarHBondContact OD1-CA 3.12Å; D63-C65 VanDerWaalsContact OD1-CB 3.23Å; D63-C65 WeakPolarHBondContact OD1-CB 3.41Å; D63-C65 PolarHBondContact OD1-N 3.24Å; C65-P67 CarbonylContact O-C 3.44Å; C65-N68 PolarHBondContact O-N 2.75Å; C65-C76 HydrophobicContact CB-CB 3.71Å; C65-C76 WeakPolarHBondContact CB-SG 3.5Å; C65-C76 WeakPolarHBondContact SG-CB 3.31Å; C65-C76 CovalentContact SG-SG 2Å; C65-C76 PolarHBondContact SG-SG 3.49Å; C65-H86 VanDerWaalsContact SG-C 3.57Å
66T65.3Low59.9Low99 Ų9985.1 Ų85.161%0.60746%0.455SS*.  trans-73.8127.1-178.1-50.40000111.2D63D63-T66 PolarHBondContact O-N 3.04Å; D63-T66 PolarHBondContact O-OG1 3.5Å
67P61.6Low61.5Low94 Ų9488.5 Ų88.561%0.6146%0.46SS*.SBendcis-80.5132.19.131.7-32.9000112.8C65 P69 C70C65-P67 CarbonylContact O-C 3.44Å; P67-P69 CarbonylContact O-C 3.11Å; P67-C70 VanDerWaalsContact O-CA 3.23Å; P67-C70 WeakPolarHBondContact O-CA 3.5Å; P67-C70 PolarHBondContact O-N 2.81Å
68N59.2Low62.9Low53 Ų5380.4 Ų80.428%0.28344%0.435SS..SBendtrans-115.2140.1-172.9-178.646.7000111.4D63 C65 H86D63-N68 WeakPolarHBondContact OD2-CB 3.29Å; D63-N68 PolarHBondContact OD2-ND2 3.33Å; C65-N68 PolarHBondContact O-N 2.75Å; N68-H86 PolarHBondContact ND2-CD2 2.9Å; N68-H86 PolarHBondContact ND2-CE1 2.98Å; N68-H86 PolarHBondContact ND2-ND1 2.89Å; N68-H86 VanDerWaalsContact ND2-ND1 3.16Å; N68-H86 PolarHBondContact ND2-NE2 3.16Å; N68-H86 PolarHBondContact OD1-CD2 3.28Å; N68-H86 PolarHBondContact OD1-NE2 2.96Å
69P68Low64Low86 Ų8678.3 Ų78.356%0.55843%0.425SS*.SBendcis-62.8137.4-11.728.6-30.1000111.2P67 A71P67-P69 CarbonylContact O-C 3.11Å; P69-A71 PolarHBondContact O-N 3.4Å; P69-A71 VanDerWaalsContact O-N 3.08Å
70C65.4Low65.2Low8 Ų875 Ų755%0.05443%0.426CS..  trans-38.8118.7-179.9-69.70000109.2P67 G74 C104P67-C70 VanDerWaalsContact O-CA 3.23Å; P67-C70 WeakPolarHBondContact O-CA 3.5Å; P67-C70 PolarHBondContact O-N 2.81Å; C70-G74 PolarHBondContact O-N 3.33Å; C70-G74 VanDerWaalsContact O-N 3.14Å; C70-C104 HydrophobicContact CB-CB 3.87Å; C70-C104 WeakPolarHBondContact CB-SG 3.36Å; C70-C104 WeakPolarHBondContact SG-CB 3.23Å; C70-C104 CovalentContact SG-SG 2.07Å; C70-C104 PolarHBondContact SG-SG 3.27Å
71A69.7Low65.9Low62 Ų6275.4 Ų75.451%0.51243%0.429SS..THydrogen-bonded Turntrans-55146.4-16900000113.4P69P69-A71 PolarHBondContact O-N 3.4Å; P69-A71 VanDerWaalsContact O-N 3.08Å
72N67.9Low67.1Low122 Ų12271 Ų7165%0.65239%0.388SS*.THydrogen-bonded Turntrans62.753.5-179.1-44.8-72.9000113.9G74N72-G74 PolarHBondContact O-N 3.39Å; N72-G74 VanDerWaalsContact O-N 3.09Å
73D70.5Confident68.3Low129 Ų12967.7 Ų67.769%0.6938%0.375SS*.THydrogen-bonded Turntrans54.430.9178.8-61.6-50.4000113.6
74G67.6Low69Low16 Ų1667.4 Ų67.417%0.16538%0.382CS..EExtended strand (participates in β ladder)trans-70.8149.8172.800000111C70 N72C70-G74 PolarHBondContact O-N 3.33Å; C70-G74 VanDerWaalsContact O-N 3.14Å; N72-G74 PolarHBondContact O-N 3.39Å; N72-G74 VanDerWaalsContact O-N 3.09Å
75Y74.4Confident69.7Low114 Ų11472.4 Ų72.445%0.44740%0.401SS..EExtended strand (participates in β ladder)trans-109.4144.9169.269.9-81.8000110.3K77 S105 Q107Y75-K77 PolarHBondContact O-N 3.01Å; Y75-S105 WeakPolarHBondContact CD1-O 3.11Å; Y75-S105 WeakPolarHBondContact CE1-O 3.17Å; Y75-S105 PolarHBondContact N-O 2.86Å; Y75-S105 PolarHBondContact O-N 3.46Å; Y75-Q107 HydrophobicContact CD1-CG 3.87Å; Y75-Q107 HydrophobicContact CE1-CG 4.12Å
76C74.2Confident70Confident19 Ų1974.8 Ų74.813%0.12841%0.411CS..EExtended strand (participates in β ladder)trans-80.4122.9177.6-156.60000109.8C65 C78C65-C76 HydrophobicContact CB-CB 3.71Å; C65-C76 WeakPolarHBondContact CB-SG 3.5Å; C65-C76 WeakPolarHBondContact SG-CB 3.31Å; C65-C76 CovalentContact SG-SG 2Å; C65-C76 PolarHBondContact SG-SG 3.49Å; C76-C78 PolarHBondContact O-N 3.07Å
77K78.9Confident70.4Confident127 Ų12770.1 Ų70.155%0.55238%0.383SS*.EExtended strand (participates in β ladder)trans-85.9107173.5-166177.4-179.1179.30108.6Y75 T103Y75-K77 PolarHBondContact O-N 3.01Å; K77-T103 WeakPolarHBondContact CB-O 3.5Å; K77-T103 PolarHBondContact N-O 3.12Å; K77-T103 PolarHBondContact O-N 2.94Å
78C75.2Confident70.7Confident36 Ų3668 Ų6824%0.24336%0.364CS..PPolyproline II helixtrans-72.9147.6-179.6-57.40000112.3C76 F82 C87C76-C78 PolarHBondContact O-N 3.07Å; C78-F82 HydrophobicContact CB-CB 3.94Å; C78-F82 WeakPolarHBondContact CB-O 3.22Å; C78-C87 WeakPolarHBondContact CA-SG 3.26Å; C78-C87 HydrophobicContact CB-CB 3.79Å; C78-C87 WeakPolarHBondContact CB-SG 3.36Å; C78-C87 WeakPolarHBondContact SG-CA 3.36Å; C78-C87 WeakPolarHBondContact SG-CB 3.14Å; C78-C87 CovalentContact SG-SG 2.04Å; C78-C87 PolarHBondContact SG-SG 2.98Å
79P71.2Confident71.3Confident21 Ų2166.7 Ų66.714%0.13636%0.359CS..PPolyproline II helixtrans-59162167.1-19.331000111.2N81 F82 V102P79-N81 PolarHBondContact O-N 2.71Å; P79-F82 HydrophobicContact CB-CD2 4.01Å; P79-F82 HydrophobicContact CG-CD2 4.38Å; P79-F82 PolarHBondContact O-N 2.98Å; P79-V102 HydrophobicContact CG-CG2 3.56Å
80T71.2Confident71.3Confident122 Ų12263.1 Ų63.175%0.74834%0.337SS*.THydrogen-bonded Turntrans-53.8131.8175.9-49.30000110.5F82T80-F82 VanDerWaalsContact C-N 3.32Å; T80-F82 PolarHBondContact O-N 3.49Å
81N65.3Low71Confident76 Ų7665.5 Ų65.541%0.40635%0.352SS..THydrogen-bonded Turntrans72.611.7-177.4-47.9-43.4000116.5P79 W83 G90 T91P79-N81 PolarHBondContact O-N 2.71Å; N81-W83 WeakPolarHBondContact O-CZ3 3.45Å; N81-G90 CarbonylContact O-C 3.53Å; N81-G90 WeakPolarHBondContact O-CA 2.93Å; N81-T91 VanDerWaalsContact CB-O 3.24Å; N81-T91 WeakPolarHBondContact CB-O 2.98Å; N81-T91 PolarHBondContact O-N 2.83Å
82F75.2Confident70.5Confident24 Ų2466.5 Ų66.511%0.10535%0.345CS..EExtended strand (participates in β ladder)trans-109.9150.1168.5-72.7-98.4000111.2L60 C78 P79 T80 C87 T89 F92L60-F82 HydrophobicContact CD1-CD1 4.34Å; L60-F82 HydrophobicContact CD1-CE1 3.89Å; L60-F82 HydrophobicContact CG-CE1 4.31Å; C78-F82 HydrophobicContact CB-CB 3.94Å; C78-F82 WeakPolarHBondContact CB-O 3.22Å; P79-F82 HydrophobicContact CB-CD2 4.01Å; P79-F82 HydrophobicContact CG-CD2 4.38Å; P79-F82 PolarHBondContact O-N 2.98Å; T80-F82 VanDerWaalsContact C-N 3.32Å; T80-F82 PolarHBondContact O-N 3.49Å; F82-C87 HydrophobicContact CB-CB 4.4Å; F82-C87 WeakPolarHBondContact CD1-O 3.11Å; F82-T89 CarbonylContact C-O 3.52Å; F82-T89 VanDerWaalsContact CA-O 3.29Å; F82-T89 WeakPolarHBondContact CA-O 3.01Å; F82-F92 HydrophobicContact CE1-CE2 4.3Å; F82-F92 HydrophobicContact CE2-CE1 4.21Å; F82-F92 HydrophobicContact CE2-CE2 4.14Å; F82-F92 AromaticContact CE2-CZ 3.8Å; F82-F92 HydrophobicContact CE2-CZ 3.8Å; F82-F92 HydrophobicContact CZ-CD2 4.22Å; F82-F92 HydrophobicContact CZ-CE1 4.25Å; F82-F92 AromaticContact CZ-CE2 3.4Å; F82-F92 HydrophobicContact CZ-CE2 3.4Å; F82-F92 VanDerWaalsContact CZ-CE2 3.4Å; F82-F92 AromaticContact CZ-CZ 3.41Å; F82-F92 HydrophobicContact CZ-CZ 3.41Å; F82-F92 VanDerWaalsContact CZ-CZ 3.41Å
83W72.8Confident69.7Low131 Ų13167.6 Ų67.650%0.49634%0.344SS..EExtended strand (participates in β ladder)trans-153.7175.9178.266.690.9000110.9N81 C87 E88 T89 T91N81-W83 WeakPolarHBondContact O-CZ3 3.45Å; W83-C87 CarbonylContact O-C 3.47Å; W83-C87 WeakPolarHBondContact O-CA 3.05Å; W83-E88 PolarHBondContact O-N 3.13Å; W83-T89 HydrophobicContact CD2-CG2 4.23Å; W83-T89 VanDerWaalsContact CE2-CG2 3.4Å; W83-T89 HydrophobicContact CH2-CG2 4.36Å; W83-T89 HydrophobicContact CZ2-CG2 3.5Å; W83-T89 VanDerWaalsContact CZ2-CG2 3.5Å; W83-T89 PolarHBondContact N-O 3.39Å; W83-T89 PolarHBondContact O-N 3.45Å; W83-T89 VanDerWaalsContact O-N 3.07Å; W83-T91 HydrophobicContact CH2-CG2 3.61Å; W83-T91 HydrophobicContact CZ3-CG2 4Å
84G71.9Confident68.3Low37 Ų3767.3 Ų67.338%0.38135%0.35SS..SBendtrans105.2166.2-170.800000111H86 C87 E88G84-H86 PolarHBondContact O-N 2.04Å; G84-C87 PolarHBondContact O-N 3.49Å; G84-E88 WeakPolarHBondContact CA-OE2 3.18Å
85K73.3Confident67Low142 Ų14274.4 Ų74.462%0.61738%0.379SS*.THydrogen-bonded Turntrans-64.5-31.8-177.5-170.1-178.3169.6-177.40111.1E88K85-E88 PolarHBondContact N-OE2 2.66Å
86H71.8Confident65.5Low52 Ų5277 Ų7724%0.24139%0.393CS..THydrogen-bonded Turntrans-117.922.4-176-45.1154.7000110.8D63 P64 C65 N68 G84 E88D63-H86 IonicContact OD2-CG 3.83Å; D63-H86 IonicContact OD2-ND1 3.91Å; P64-H86 VanDerWaalsContact CD-O 3.26Å; P64-H86 WeakPolarHBondContact CD-O 3.36Å; P64-H86 WeakPolarHBondContact CG-O 3.26Å; C65-H86 VanDerWaalsContact SG-C 3.57Å; N68-H86 PolarHBondContact ND2-CD2 2.9Å; N68-H86 PolarHBondContact ND2-CE1 2.98Å; N68-H86 PolarHBondContact ND2-ND1 2.89Å; N68-H86 VanDerWaalsContact ND2-ND1 3.16Å; N68-H86 PolarHBondContact ND2-NE2 3.16Å; N68-H86 PolarHBondContact OD1-CD2 3.28Å; N68-H86 PolarHBondContact OD1-NE2 2.96Å; G84-H86 PolarHBondContact O-N 2.04Å; H86-E88 VanDerWaalsContact C-OE2 3.27Å; H86-E88 VanDerWaalsContact CA-OE2 3.31Å; H86-E88 WeakPolarHBondContact CA-OE2 3.19Å; H86-E88 PolarHBondContact N-OE2 2.91Å; H86-E88 PolarHBondContact O-N 2.75Å
87C73.1Confident63.8Low1 Ų181.6 Ų81.61%0.00742%0.423CS..SBendtrans49.830.5-173.8-490000113.2P64 C78 F82 W83 G84 T89P64-C87 HydrophobicContact CG-CB 3.94Å; C78-C87 WeakPolarHBondContact CA-SG 3.26Å; C78-C87 HydrophobicContact CB-CB 3.79Å; C78-C87 WeakPolarHBondContact CB-SG 3.36Å; C78-C87 WeakPolarHBondContact SG-CA 3.36Å; C78-C87 WeakPolarHBondContact SG-CB 3.14Å; C78-C87 CovalentContact SG-SG 2.04Å; C78-C87 PolarHBondContact SG-SG 2.98Å; F82-C87 HydrophobicContact CB-CB 4.4Å; F82-C87 WeakPolarHBondContact CD1-O 3.11Å; W83-C87 CarbonylContact O-C 3.47Å; W83-C87 WeakPolarHBondContact O-CA 3.05Å; G84-C87 PolarHBondContact O-N 3.49Å; C87-T89 PolarHBondContact O-N 3.36Å
88E69.2Low62.4Low49 Ų4979.6 Ų79.623%0.22942%0.417CS..  trans-81.5-5.6-172.574.1-80.4-16900112.9R59 W83 G84 K85 H86R59-E88 WeakPolarHBondContact CA-O 3.46Å; W83-E88 PolarHBondContact O-N 3.13Å; G84-E88 WeakPolarHBondContact CA-OE2 3.18Å; K85-E88 PolarHBondContact N-OE2 2.66Å; H86-E88 VanDerWaalsContact C-OE2 3.27Å; H86-E88 VanDerWaalsContact CA-OE2 3.31Å; H86-E88 WeakPolarHBondContact CA-OE2 3.19Å; H86-E88 PolarHBondContact N-OE2 2.91Å; H86-E88 PolarHBondContact O-N 2.75Å
89T70.7Confident60.9Low27 Ų2784.1 Ų84.117%0.16644%0.435CS..EExtended strand (participates in β ladder)trans-122.2135.2177.1-49.90000108.8F82 W83 C87F82-T89 CarbonylContact C-O 3.52Å; F82-T89 VanDerWaalsContact CA-O 3.29Å; F82-T89 WeakPolarHBondContact CA-O 3.01Å; W83-T89 HydrophobicContact CD2-CG2 4.23Å; W83-T89 VanDerWaalsContact CE2-CG2 3.4Å; W83-T89 HydrophobicContact CH2-CG2 4.36Å; W83-T89 HydrophobicContact CZ2-CG2 3.5Å; W83-T89 VanDerWaalsContact CZ2-CG2 3.5Å; W83-T89 PolarHBondContact N-O 3.39Å; W83-T89 PolarHBondContact O-N 3.45Å; W83-T89 VanDerWaalsContact O-N 3.07Å; C87-T89 PolarHBondContact O-N 3.36Å
90G67.5Low59.7Low10 Ų1089.3 Ų89.310%0.10346%0.461CS..EExtended strand (participates in β ladder)trans-160.9167.2173.500000112.8N81N81-G90 CarbonylContact O-C 3.53Å; N81-G90 WeakPolarHBondContact O-CA 2.93Å
91T60.7Low58.7Low58 Ų5889.9 Ų89.936%0.35645%0.454SS..  trans-119.6110.3173.849.60000109.2N81 W83 F93N81-T91 VanDerWaalsContact CB-O 3.24Å; N81-T91 WeakPolarHBondContact CB-O 2.98Å; N81-T91 PolarHBondContact O-N 2.83Å; W83-T91 HydrophobicContact CH2-CG2 3.61Å; W83-T91 HydrophobicContact CZ3-CG2 4Å; T91-F93 PolarHBondContact O-N 3.01Å
92F59.2Low58.4Low84 Ų8488.4 Ų88.437%0.36845%0.447SS..  trans-77.3105.2168.3-84.2-74.4000109.7I58 F82 I98I58-F92 HydrophobicContact CD1-CD2 4.2Å; I58-F92 HydrophobicContact CD1-CE2 4.48Å; F82-F92 HydrophobicContact CE1-CE2 4.3Å; F82-F92 HydrophobicContact CE2-CE1 4.21Å; F82-F92 HydrophobicContact CE2-CE2 4.14Å; F82-F92 AromaticContact CE2-CZ 3.8Å; F82-F92 HydrophobicContact CE2-CZ 3.8Å; F82-F92 HydrophobicContact CZ-CD2 4.22Å; F82-F92 HydrophobicContact CZ-CE1 4.25Å; F82-F92 AromaticContact CZ-CE2 3.4Å; F82-F92 HydrophobicContact CZ-CE2 3.4Å; F82-F92 VanDerWaalsContact CZ-CE2 3.4Å; F82-F92 AromaticContact CZ-CZ 3.41Å; F82-F92 HydrophobicContact CZ-CZ 3.41Å; F82-F92 VanDerWaalsContact CZ-CZ 3.41Å; F92-I98 HydrophobicContact CD1-CD1 4.45Å; F92-I98 HydrophobicContact CE1-CB 4.43Å; F92-I98 HydrophobicContact CE1-CD1 3.33Å; F92-I98 HydrophobicContact CE1-CG1 3.66Å; F92-I98 HydrophobicContact CE1-CG2 3.94Å; F92-I98 HydrophobicContact CZ-CD1 3.51Å; F92-I98 HydrophobicContact CZ-CG1 4.28Å; F92-I98 HydrophobicContact CZ-CG2 4.27Å
93F49.7Very low57.7Low145 Ų14591.1 Ų91.164%0.63647%0.466SS*.  trans-85.4115.7150.8-63.7-82000106.1T91 E95T91-F93 PolarHBondContact O-N 3.01Å; F93-E95 PolarHBondContact O-N 3.35Å
94C41Very low56.9Low122 Ų12287.8 Ų87.882%0.82446%0.462SS*.THydrogen-bonded Turntrans-70.378.5171.3-74.30000109.2
95E40.8Very low56.3Low165 Ų16588 Ų8877%0.77146%0.458SS*.THydrogen-bonded Turntrans-136.5-1.5162.1-153.3103.6-153.500112.4F93F93-E95 PolarHBondContact O-N 3.35Å
96F42.2Very low55.2Low170 Ų17088.5 Ų88.575%0.74646%0.46SS*.SBendtrans-137.3137.7177-75-81000113.5I98F96-I98 PolarHBondContact O-N 2.99Å
97P39.8Very low53.9Low115 Ų11591.6 Ų91.675%0.74747%0.474SS*.  trans-61.4123.7166.828-31000107.1E99P97-E99 VanDerWaalsContact C-N 3.27Å; P97-E99 PolarHBondContact O-N 3.09Å
98I48.3Very low52.3Low84 Ų8499.3 Ų99.343%0.43152%0.515SS..  trans-6592.5174.3-10.2167.5000106.4F92 F96 N100F92-I98 HydrophobicContact CD1-CD1 4.45Å; F92-I98 HydrophobicContact CE1-CB 4.43Å; F92-I98 HydrophobicContact CE1-CD1 3.33Å; F92-I98 HydrophobicContact CE1-CG1 3.66Å; F92-I98 HydrophobicContact CE1-CG2 3.94Å; F92-I98 HydrophobicContact CZ-CD1 3.51Å; F92-I98 HydrophobicContact CZ-CG1 4.28Å; F92-I98 HydrophobicContact CZ-CG2 4.27Å; F96-I98 PolarHBondContact O-N 2.99Å; I98-N100 PolarHBondContact O-N 3.14Å
99E44.5Very low50.8Low132 Ų132101 Ų10162%0.61753%0.529SS*.  trans-62.996.8154.8-82.9-162.3169.600105.3P97 K101P97-E99 VanDerWaalsContact C-N 3.27Å; P97-E99 PolarHBondContact O-N 3.09Å; E99-K101 HydrophobicContact CB-CG 4.47Å; E99-K101 PolarHBondContact O-N 2.07Å; E99-K101 IonicContact OE1-NZ 3.58Å; E99-K101 WeakPolarHBondContact OE2-CE 3.23Å; E99-K101 IonicContact OE2-NZ 2.75Å; E99-K101 PolarHBondContact OE2-NZ 2Å
100N46.2Very low49.2Very low130 Ų130106.1 Ų106.170%0.69555%0.554SS**  trans-66.557177.5-73.4-32.7000111.2I98 V102I98-N100 PolarHBondContact O-N 3.14Å; N100-V102 PolarHBondContact O-N 3.42Å
101K49.4Very low47.6Very low134 Ų134112 Ų11258%0.58358%0.583SS**  trans-99.170.3176.4-66.5-178.2-175.4156.30108.9E99E99-K101 HydrophobicContact CB-CG 4.47Å; E99-K101 PolarHBondContact O-N 2.07Å; E99-K101 IonicContact OE1-NZ 3.58Å; E99-K101 WeakPolarHBondContact OE2-CE 3.23Å; E99-K101 IonicContact OE2-NZ 2.75Å; E99-K101 PolarHBondContact OE2-NZ 2Å
102V59.4Low46.3Very low45 Ų45117.9 Ų117.927%0.27360%0.603SS.*  trans-77.8129.9164.1-172.90000106.3P64 P79 N100P64-V102 HydrophobicContact CB-CB 4.32Å; P64-V102 HydrophobicContact CB-CG1 4.08Å; P64-V102 HydrophobicContact CB-CG2 3.83Å; P79-V102 HydrophobicContact CG-CG2 3.56Å; N100-V102 PolarHBondContact O-N 3.42Å
103T60.2Low45.2Very low81 Ų81121.1 Ų121.150%0.49762%0.617SS.*EExtended strand (participates in β ladder)trans-141.1126.6-177.2-38.30000109.8K77 S105K77-T103 WeakPolarHBondContact CB-O 3.5Å; K77-T103 PolarHBondContact N-O 3.12Å; K77-T103 PolarHBondContact O-N 2.94Å; T103-S105 PolarHBondContact O-N 3.34Å
104C55.9Low44.5Very low61 Ų61122.7 Ų122.741%0.41263%0.626SS.*EExtended strand (participates in β ladder)trans-70.6120.6170-71.80000108.5C70C70-C104 HydrophobicContact CB-CB 3.87Å; C70-C104 WeakPolarHBondContact CB-SG 3.36Å; C70-C104 WeakPolarHBondContact SG-CB 3.23Å; C70-C104 CovalentContact SG-SG 2.07Å; C70-C104 PolarHBondContact SG-SG 3.27Å
105S59.1Low44.3Very low42 Ų42122.1 Ų122.129%0.29462%0.619SS.*EExtended strand (participates in β ladder)trans-100.3123.3169.1-97.50000108.5Y75 T103 Q107Y75-S105 WeakPolarHBondContact CD1-O 3.11Å; Y75-S105 WeakPolarHBondContact CE1-O 3.17Å; Y75-S105 PolarHBondContact N-O 2.86Å; Y75-S105 PolarHBondContact O-N 3.46Å; T103-S105 PolarHBondContact O-N 3.34Å; S105-Q107 PolarHBondContact O-N 3.07Å
106K49.9Very low44.1Very low152 Ų152119.6 Ų119.666%0.66161%0.614SS**EExtended strand (participates in β ladder)trans-62.9130.5166.9-69-173.5178.1-176.50107N108K106-N108 PolarHBondContact O-N 2.69Å
107Q45.3Very low43.9Very low116 Ų116120.8 Ų120.854%0.54262%0.62SS.*PPolyproline II helixtrans-55142.7159.9-96.1166.2-14.200107Y75 S105 V109Y75-Q107 HydrophobicContact CD1-CG 3.87Å; Y75-Q107 HydrophobicContact CE1-CG 4.12Å; S105-Q107 PolarHBondContact O-N 3.07Å; Q107-V109 HydrophobicContact CB-CG2 4.37Å; Q107-V109 PolarHBondContact O-N 2.72Å
108N40Very low43.6Very low163 Ų163123.3 Ų123.387%0.87263%0.626SS**  trans-61.873.8158-76.2-35.8000106.9K106 I110K106-N108 PolarHBondContact O-N 2.69Å; N108-I110 PolarHBondContact O-N 2.72Å
109V36.3Very low42.9Very low86 Ų86121.7 Ų121.752%0.52163%0.63SS.*  trans-61.8101.9152.2-176.50000101Q107 L111Q107-V109 HydrophobicContact CB-CG2 4.37Å; Q107-V109 PolarHBondContact O-N 2.72Å; V109-L111 PolarHBondContact O-N 2.69Å
110I38.4Very low42.9Very low133 Ų133125.7 Ų125.768%0.68266%0.663SS**  trans-45.9102.5156.1-58.5166.9000101.7N108 F112N108-I110 PolarHBondContact O-N 2.72Å; I110-F112 PolarHBondContact O-N 3.08Å
111L32.9Very low42.7Very low135 Ų135125.5 Ų125.571%0.70766%0.662SS**  trans-5498.9157.6-95.1116.4000101.2V109 K113V109-L111 PolarHBondContact O-N 2.69Å; L111-K113 HydrophobicContact CB-CG 4.11Å; L111-K113 HydrophobicContact CD2-CG 4.04Å; L111-K113 PolarHBondContact O-N 2.72Å
112F35.1Very low42.3Very low180 Ų180125.1 Ų125.179%0.78967%0.666SS**  -51.176.4121.5-67.3-82.4000104.2I110 H114I110-F112 PolarHBondContact O-N 3.08Å; F112-H114 PolarHBondContact O-N 2.85Å
113K34.6Very low41.4Very low153 Ų153129.5 Ų129.567%0.66569%0.688SS**  trans-42.6108.7138-86.4-177.8174.3-178.9099.1L111 T115L111-K113 HydrophobicContact CB-CG 4.11Å; L111-K113 HydrophobicContact CD2-CG 4.04Å; L111-K113 PolarHBondContact O-N 2.72Å; K113-T115 PolarHBondContact O-N 3.48Å; K113-T115 PolarHBondContact O-OG1 2.75Å
114H35.7Very low40.3Very low178 Ų178132.4 Ų132.482%0.82470%0.699SS**  trans-52.878.9142.1-81.6-127.2000104F112 V116F112-H114 PolarHBondContact O-N 2.85Å; H114-V116 PolarHBondContact O-N 3.39Å
115T36.1Very low39.3Very low110 Ų110136.8 Ų136.868%0.67572%0.717SS**  trans-53.2103.6150.8-54.80000100K113 F117K113-T115 PolarHBondContact O-N 3.48Å; K113-T115 PolarHBondContact O-OG1 2.75Å; T115-F117 VanDerWaalsContact C-N 3.31Å; T115-F117 PolarHBondContact O-N 2.64Å
116V36.3Very low38Very low111 Ų111143.1 Ų143.167%0.67375%0.745SS**  trans-35.5109162.3173.70000104.6H114 L118H114-V116 PolarHBondContact O-N 3.39Å; V116-L118 PolarHBondContact O-N 2.8Å
117F39.7Very low37.1Very low196 Ų196142.5 Ų142.586%0.8675%0.751SS**  trans-54.1103.6159.5-106.9-98.3000102.4T115 G119T115-F117 VanDerWaalsContact C-N 3.31Å; T115-F117 PolarHBondContact O-N 2.64Å; F117-G119 PolarHBondContact O-N 2.93Å
118L32.4Very low36.5Very low167 Ų167144.5 Ų144.587%0.87477%0.767SS**  trans-62.176.4150.1-72.4171.1000104V116 V120V116-L118 PolarHBondContact O-N 2.8Å; L118-V120 PolarHBondContact O-N 2.83Å
119G34.7Very low36.2Very low50 Ų50143 Ų14352%0.51576%0.758SS.*  trans-74.5112.5166.900000105.5F117F117-G119 PolarHBondContact O-N 2.93Å
120V42.4Very low36.2Very low217 Ų217148.2 Ų148.2100%1.31578%0.78SS**  trans65.20150.5-158.70000116.2L118L118-V120 PolarHBondContact O-N 2.83Å

Retrieved 120 of 120 residues in 88.2 ms (Link to these results)