A0A077ZL46_TRITR Loading...

Serine:threonine protein phosphatase PP1

AlphaFold DB , UniProt , Accession A0A077ZL46, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 125 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
1M29.7Very low33.7Very low241 Ų241113.2 Ų113.2100%1.18757%0.57SS**  0103.40-142.2-174.8-68.400105.1
2E24.5Very low34.2Very low169 Ų169121.7 Ų121.779%0.7959%0.59SS**PPolyproline II helixtrans-83.7128.5-175.8-67-124.2148.900109.8T4E2-T4 PolarHBondContact O-N 3.3Å
3P27.9Very low34.2Very low102 Ų102127.6 Ų127.666%0.66262%0.616SS**PPolyproline II helixtrans-69.1120.817527.2-30.2000109.5
4T24.5Very low34.3Very low101 Ų101125.5 Ų125.562%0.6262%0.615SS**PPolyproline II helixtrans-88.1121.6168-570000107.4E2 K107E2-T4 PolarHBondContact O-N 3.3Å; T4-K107 HydrophobicContact CG2-CG 4.34Å
5V31.6Very low34.1Very low28 Ų28127.5 Ų127.517%0.1763%0.629CS.*  trans-111.2123176.8-1750000108D59 L60V5-D59 HydrophobicContact CG1-CB 4.11Å; V5-L60 HydrophobicContact CG1-CB 3.64Å; V5-L60 HydrophobicContact CG1-CD1 4.34Å; V5-L60 HydrophobicContact CG1-CD2 4.06Å; V5-L60 HydrophobicContact CG1-CG 4.23Å
6G29.7Very low34.3Very low19 Ų19129.8 Ų129.820%0.19664%0.638CS.*  trans-77.3165.2173.900000111.8D59G6-D59 VanDerWaalsContact C-OD2 3.25Å; G6-D59 VanDerWaalsContact CA-OD2 3.28Å; G6-D59 WeakPolarHBondContact CA-OD2 3.36Å; G6-D59 WeakPolarHBondContact O-CB 3.23Å
7I42.1Very low34.9Very low35 Ų35124.7 Ų124.718%0.17963%0.626CS.*  trans-133.5117.4174.9-62.2-179.7000108.1L60 M100 V102 L106 C108I7-L60 HydrophobicContact CD1-CD2 4.14Å; I7-L60 HydrophobicContact CG1-CB 4.29Å; I7-L60 HydrophobicContact CG1-CD2 4.08Å; I7-M100 HydrophobicContact CD1-CE 3.88Å; I7-V102 HydrophobicContact CD1-CG1 4.06Å; I7-V102 HydrophobicContact CD1-CG2 3.7Å; I7-L106 HydrophobicContact CB-CD2 4.43Å; I7-L106 WeakPolarHBondContact O-CD1 3.23Å; I7-L106 WeakPolarHBondContact O-CD2 3.37Å; I7-C108 WeakPolarHBondContact CD1-SG 3.39Å
8A40.8Very low35.7Very low43 Ų43120.9 Ų120.936%0.35561%0.611SS.*  trans-88.2132.7167.300000110.5D57 I58A8-D57 WeakPolarHBondContact CB-O 3.41Å; A8-I58 HydrophobicContact CB-CB 3.93Å; A8-I58 HydrophobicContact CB-CG2 3.56Å
9K41.9Very low35.8Very low182 Ų182121.9 Ų121.979%0.79161%0.61SS**  trans-100.8111.8-177.5-179.8-177.9179.8179.70109.8
10Q44Very low36.7Very low104 Ų104118.2 Ų118.249%0.48660%0.596SS.*  trans-107.7128171.5-163.2136.5-4.800111.5M56Q10-M56 VanDerWaalsContact CD-CE 3.48Å; Q10-M56 HydrophobicContact CG-CE 4.19Å
11R33.5Very low37.7Very low221 Ų221116.6 Ų116.683%0.83460%0.597SS**  trans-102119.3168.2-90.7-175172.1-139.90.2108.9
12R40Very low39.1Very low215 Ų215109.9 Ų109.981%0.81156%0.564SS**  trans-147.1153159.9-79.3-165.6174162.2-2.1110.9
13E33.8Very low40.9Very low199 Ų199103.2 Ų103.293%0.9354%0.535SS*.  trans-64.9154.2-175.1-72.4168.5149.700113.7
14V36.8Very low43.1Very low98 Ų9899 Ų9959%0.59451%0.508SS*.  trans-121.9108.1-156.4175.10000109.8V18V14-V18 HydrophobicContact CB-CG2 4.41Å; V14-V18 HydrophobicContact CG1-CB 3.95Å; V14-V18 HydrophobicContact CG1-CG1 3.62Å; V14-V18 HydrophobicContact CG1-CG2 3.21Å
15N30.6Very low45.8Very low155 Ų15594.6 Ų94.683%0.82948%0.481SS*.SBendtrans-149.1141.5172-85.8-32.2000111.9G17N15-G17 PolarHBondContact O-N 3.19Å
16E37.3Very low48.4Very low165 Ų16594.1 Ų94.177%0.77148%0.479SS*.SBendtrans52.2-49.7-174.4-75.9-94.113000116.9V18 K19E16-V18 PolarHBondContact O-N 3.04Å; E16-K19 PolarHBondContact O-N 3.33Å
17G44.7Very low51.2Low43 Ų4395.1 Ų95.144%0.44348%0.481SS..Hα-helixtrans-61.7-8.5174.100000114.6N15 S20 S21N15-G17 PolarHBondContact O-N 3.19Å; G17-S20 PolarHBondContact O-OG 3.32Å; G17-S21 WeakPolarHBondContact O-CB 3.28Å; G17-S21 PolarHBondContact O-N 3.16Å
18V49.6Very low53.2Low57 Ų5797.7 Ų97.735%0.34550%0.502SS..Hα-helixtrans-62.7-45.1175.2-1530000111V14 E16 S20 S21 I22V14-V18 HydrophobicContact CB-CG2 4.41Å; V14-V18 HydrophobicContact CG1-CB 3.95Å; V14-V18 HydrophobicContact CG1-CG1 3.62Å; V14-V18 HydrophobicContact CG1-CG2 3.21Å; E16-V18 PolarHBondContact O-N 3.04Å; V18-S20 PolarHBondContact O-N 3.26Å; V18-S21 WeakPolarHBondContact O-CB 3.33Å; V18-S21 PolarHBondContact O-N 3.5Å; V18-I22 HydrophobicContact CG1-CG2 4.42Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 WeakPolarHBondContact O-CG2 3.48Å; V18-I22 PolarHBondContact O-N 3.44Å
19K37.1Very low55.4Low139 Ų139101.7 Ų101.760%0.60453%0.526SS*.Hα-helixtrans-66.2-40.4-174.4-73.5180-176.9169.40111.6E16 I22 T23E16-K19 PolarHBondContact O-N 3.33Å; K19-I22 WeakPolarHBondContact O-CG1 3.4Å; K19-T23 PolarHBondContact O-OG1 3.39Å
20S53.8Low57.6Low47 Ų4794.1 Ų94.133%0.32949%0.494SS..Hα-helixtrans-68.6-41174.355.60000111.2G17 V18 I22 S24 S41G17-S20 PolarHBondContact O-OG 3.32Å; V18-S20 PolarHBondContact O-N 3.26Å; S20-I22 PolarHBondContact O-N 2.94Å; S20-S24 WeakPolarHBondContact O-CB 3.42Å; S20-S24 PolarHBondContact O-N 3.36Å; S20-S24 VanDerWaalsContact O-N 3.09Å; S20-S24 PolarHBondContact O-OG 3.17Å; S20-S41 VanDerWaalsContact CA-OG 3.23Å; S20-S41 WeakPolarHBondContact CA-OG 3.38Å; S20-S41 PolarHBondContact O-OG 2.87Å
21S57.8Low59.8Low86 Ų8699.5 Ų99.560%0.60151%0.51SS*.Hα-helixtrans-59.8-42.4177.4-174.90000113.1G17 V18 T23G17-S21 WeakPolarHBondContact O-CB 3.28Å; G17-S21 PolarHBondContact O-N 3.16Å; V18-S21 WeakPolarHBondContact O-CB 3.33Å; V18-S21 PolarHBondContact O-N 3.5Å; S21-T23 PolarHBondContact O-N 3.41Å
22I60Low62.4Low100 Ų10090 Ų9051%0.51348%0.48SS..Hα-helixtrans-72.2-28.9-174.656.5164.6000115V18 K19 S20V18-I22 HydrophobicContact CG1-CG2 4.42Å; V18-I22 WeakPolarHBondContact O-CG1 3.42Å; V18-I22 WeakPolarHBondContact O-CG2 3.48Å; V18-I22 PolarHBondContact O-N 3.44Å; K19-I22 WeakPolarHBondContact O-CG1 3.4Å; S20-I22 PolarHBondContact O-N 2.94Å
23T61.3Low64.6Low29 Ų2986.7 Ų86.718%0.17847%0.468CS..Hα-helixtrans-1230.2-168.249.70000114K19 S21 S41K19-T23 PolarHBondContact O-OG1 3.39Å; S21-T23 PolarHBondContact O-N 3.41Å; T23-S41 WeakPolarHBondContact OG1-CB 3.41Å
24S74.2Confident67Low13 Ų1380.2 Ų80.29%0.09144%0.442CS..  trans-68.6150.6174.455.70000111.1S20 S41 Y42 R63S20-S24 WeakPolarHBondContact O-CB 3.42Å; S20-S24 PolarHBondContact O-N 3.36Å; S20-S24 VanDerWaalsContact O-N 3.09Å; S20-S24 PolarHBondContact O-OG 3.17Å; S24-S41 WeakPolarHBondContact CA-OG 3.31Å; S24-S41 WeakPolarHBondContact CB-OG 3.4Å; S24-S41 PolarHBondContact N-OG 3.45Å; S24-Y42 WeakPolarHBondContact CA-O 3.23Å; S24-Y42 WeakPolarHBondContact CB-O 3.38Å; S24-R63 PolarHBondContact O-NH1 2.7Å; S24-R63 PolarHBondContact O-NH2 2.91Å; S24-R63 VanDerWaalsContact O-NH2 3.1Å
25S81.9Confident69.1Low8 Ų882.1 Ų82.16%0.05644%0.444CS..EExtended strand (participates in β ladder)trans-136.6132.6-175-61.40000112.3Y42 R43 F44S25-Y42 PolarHBondContact N-O 2.82Å; S25-R43 WeakPolarHBondContact O-CA 3.44Å; S25-F44 PolarHBondContact O-N 2.85Å; S25-F44 VanDerWaalsContact O-N 3.07Å
26P85.7Confident71.1Confident19 Ų1975.1 Ų75.112%0.12341%0.407CS..EExtended strand (participates in β ladder)trans-66.1144.3173.227.8-34.8000111.6F44 F75 L80P26-F44 CarbonylContact C-O 3.54Å; P26-F44 WeakPolarHBondContact CA-O 3.3Å; P26-F44 HydrophobicContact CB-CD2 4.38Å; P26-F44 HydrophobicContact CB-CE2 3.75Å; P26-F44 HydrophobicContact CB-CZ 4.09Å; P26-F44 HydrophobicContact CG-CZ 4.47Å; P26-F75 HydrophobicContact CB-CD1 3.53Å; P26-F75 HydrophobicContact CB-CD2 3.9Å; P26-F75 HydrophobicContact CB-CE1 3.49Å; P26-F75 VanDerWaalsContact CB-CE1 3.49Å; P26-F75 HydrophobicContact CB-CE2 3.86Å; P26-F75 HydrophobicContact CB-CG 3.73Å; P26-F75 HydrophobicContact CB-CZ 3.66Å; P26-F75 HydrophobicContact CG-CG 4.46Å; P26-L80 HydrophobicContact CG-CD2 4.34Å
27V87.6Confident72.9Confident40 Ų4073.8 Ų73.824%0.24241%0.406CS..  trans-139.9121.7174.8-1800000109.2C29 L30 R43 F44V27-C29 PolarHBondContact O-N 2.96Å; V27-L30 HydrophobicContact CB-CB 3.81Å; V27-L30 HydrophobicContact CB-CD1 4.23Å; V27-L30 HydrophobicContact CG1-CB 3.85Å; V27-L30 HydrophobicContact CG1-CD1 4.49Å; V27-L30 PolarHBondContact O-N 3.41Å; V27-R43 HydrophobicContact CG2-CB 3.91Å; V27-R43 HydrophobicContact CG2-CG 4.23Å; V27-F44 PolarHBondContact N-O 3.2Å
28S85.1Confident74.1Confident88 Ų8879.5 Ų79.562%0.61541%0.414SS*.THydrogen-bonded Turntrans-65.8-34.6-171.4490000114.4L30S28-L30 VanDerWaalsContact C-N 3.33Å
29C87.5Confident75Confident127 Ų12779.7 Ų79.786%0.85843%0.427SS*.THydrogen-bonded Turntrans-9311.1-177-49.70000113.6V27V27-C29 PolarHBondContact O-N 2.96Å
30L87.2Confident76.4Confident23 Ų2376.9 Ų76.912%0.1242%0.422CS..  trans-105.4147.1-176.5-171.1150.2000109.5V27 S28 G32 V34 R43 G45 P46V27-L30 HydrophobicContact CB-CB 3.81Å; V27-L30 HydrophobicContact CB-CD1 4.23Å; V27-L30 HydrophobicContact CG1-CB 3.85Å; V27-L30 HydrophobicContact CG1-CD1 4.49Å; V27-L30 PolarHBondContact O-N 3.41Å; S28-L30 VanDerWaalsContact C-N 3.33Å; L30-G32 WeakPolarHBondContact CD2-O 3.15Å; L30-V34 HydrophobicContact CD1-CB 3.7Å; L30-V34 HydrophobicContact CD1-CG2 3.44Å; L30-V34 VanDerWaalsContact CD1-CG2 3.44Å; L30-V34 HydrophobicContact CD2-CG2 4.06Å; L30-V34 HydrophobicContact CG-CG2 3.83Å; L30-R43 HydrophobicContact CD1-CB 4.07Å; L30-G45 VanDerWaalsContact CD2-N 3.27Å; L30-G45 WeakPolarHBondContact O-CA 3.32Å; L30-P46 VanDerWaalsContact O-CD 3.31Å; L30-P46 WeakPolarHBondContact O-CD 3.46Å
31R89.3Confident77.4Confident218 Ų21875.5 Ų75.582%0.82341%0.412SS*.  trans-119.2134.6169.5-169178.3179.7-178.50.1109.1D47R31-D47 WeakPolarHBondContact CA-OD1 3.47Å; R31-D47 WeakPolarHBondContact CG-OD2 3.13Å
32G88.7Confident78.5Confident20 Ų2077 Ų7721%0.20641%0.405CS..SBendtrans73.5-144.6-178.200000113.5L30 F44 G45 D47 V48L30-G32 WeakPolarHBondContact CD2-O 3.15Å; G32-F44 WeakPolarHBondContact O-CA 3.27Å; G32-G45 PolarHBondContact O-N 3.09Å; G32-D47 VanDerWaalsContact N-CG 3.35Å; G32-D47 PolarHBondContact N-OD1 3.36Å; G32-D47 PolarHBondContact N-OD2 3.47Å; G32-V48 VanDerWaalsContact C-CG2 3.45Å; G32-V48 VanDerWaalsContact O-CG2 3.23Å; G32-V48 WeakPolarHBondContact O-CG2 3.31Å
33W87.2Confident79.7Confident147 Ų14776 Ų7656%0.55740%0.395SS*.EExtended strand (participates in β ladder)trans-112.8136.1-179.8-61.790.2000110.9Y42 R43 F44 V48W33-Y42 HydrophobicContact CB-CD1 4.39Å; W33-Y42 HydrophobicContact CE3-CG 4.31Å; W33-R43 CarbonylContact C-O 3.52Å; W33-R43 WeakPolarHBondContact CA-O 3.38Å; W33-F44 HydrophobicContact CD2-CB 4.21Å; W33-F44 HydrophobicContact CE3-CB 3.73Å; W33-F44 HydrophobicContact CE3-CD1 4.4Å; W33-F44 HydrophobicContact CH2-CB 4.34Å; W33-F44 HydrophobicContact CH2-CD1 4.34Å; W33-F44 HydrophobicContact CZ3-CB 3.81Å; W33-F44 AromaticContact CZ3-CD1 3.76Å; W33-F44 HydrophobicContact CZ3-CD1 3.76Å; W33-F44 HydrophobicContact CZ3-CG 4.12Å; W33-V48 HydrophobicContact CD2-CG1 4.25Å; W33-V48 HydrophobicContact CD2-CG2 4.48Å; W33-V48 VanDerWaalsContact CE2-CG1 3.44Å; W33-V48 HydrophobicContact CG-CG2 4.44Å; W33-V48 HydrophobicContact CH2-CG1 3.86Å; W33-V48 HydrophobicContact CZ2-CG1 3.23Å
34V84.5Confident81.1Confident62 Ų6275.4 Ų75.438%0.37639%0.39SS..EExtended strand (participates in β ladder)trans-130.3142.2171.9-179.70000109.1L30 S36 Y42 R43L30-V34 HydrophobicContact CD1-CB 3.7Å; L30-V34 HydrophobicContact CD1-CG2 3.44Å; L30-V34 VanDerWaalsContact CD1-CG2 3.44Å; L30-V34 HydrophobicContact CD2-CG2 4.06Å; L30-V34 HydrophobicContact CG-CG2 3.83Å; V34-S36 PolarHBondContact O-N 3.36Å; V34-Y42 CarbonylContact O-C 3.57Å; V34-Y42 VanDerWaalsContact O-CA 3.28Å; V34-Y42 WeakPolarHBondContact O-CA 3.4Å; V34-R43 PolarHBondContact N-O 2.89Å; V34-R43 PolarHBondContact O-N 3.47Å
35Q79.4Confident82Confident138 Ų13874.8 Ų74.865%0.64539%0.385SS*.EExtended strand (participates in β ladder)trans-57.4138.5176.9-165.9170.9-9.100111.7
36S73.8Confident82.6Confident8 Ų876.5 Ų76.56%0.05640%0.396CS..  trans-70.5141.3177.9-176.80000111V34 R38 G39 V40 S41V34-S36 PolarHBondContact O-N 3.36Å; S36-R38 PolarHBondContact O-N 3.2Å; S36-R38 WeakPolarHBondContact OG-CB 3.25Å; S36-R38 PolarHBondContact OG-N 2.97Å; S36-G39 PolarHBondContact O-N 3.33Å; S36-V40 VanDerWaalsContact CB-O 3.25Å; S36-V40 WeakPolarHBondContact CB-O 3.48Å; S36-S41 WeakPolarHBondContact CB-O 3.2Å; S36-S41 PolarHBondContact N-O 2.96Å
37N74.1Confident83.1Confident138 Ų13877.8 Ų77.874%0.73840%0.402SS*.THydrogen-bonded Turntrans-69.1-10170.564.5-16.1000112.9G39N37-G39 PolarHBondContact O-N 2.89Å
38R69.9Low83.4Confident163 Ų16376.5 Ų76.562%0.61539%0.394SS*.THydrogen-bonded Turntrans-76.2-0.4176.4-59.5178.8179.9-970.9113.3S36 V40S36-R38 PolarHBondContact O-N 3.2Å; S36-R38 WeakPolarHBondContact OG-CB 3.25Å; S36-R38 PolarHBondContact OG-N 2.97Å; R38-V40 PolarHBondContact O-N 3.35Å; R38-V40 VanDerWaalsContact O-N 3.17Å
39G68.7Low83.8Confident61 Ų6172.4 Ų72.463%0.62937%0.366SS*.SBendtrans75.1-5.2-177.300000114.5S36 N37S36-G39 PolarHBondContact O-N 3.33Å; N37-G39 PolarHBondContact O-N 2.89Å
40V67.6Low84.1Confident80 Ų8071.7 Ų71.749%0.48535%0.35SS..SBendtrans-136137178-170.70000109.1S36 R38S36-V40 VanDerWaalsContact CB-O 3.25Å; S36-V40 WeakPolarHBondContact CB-O 3.48Å; R38-V40 PolarHBondContact O-N 3.35Å; R38-V40 VanDerWaalsContact O-N 3.17Å
41S73.3Confident84.5Confident17 Ų1776.7 Ų76.712%0.11937%0.373CS..SBendtrans68.5-168.5178.4-166.80000115.5S20 T23 S24 S36S20-S41 VanDerWaalsContact CA-OG 3.23Å; S20-S41 WeakPolarHBondContact CA-OG 3.38Å; S20-S41 PolarHBondContact O-OG 2.87Å; T23-S41 WeakPolarHBondContact OG1-CB 3.41Å; S24-S41 WeakPolarHBondContact CA-OG 3.31Å; S24-S41 WeakPolarHBondContact CB-OG 3.4Å; S24-S41 PolarHBondContact N-OG 3.45Å; S36-S41 WeakPolarHBondContact CB-O 3.2Å; S36-S41 PolarHBondContact N-O 2.96Å
42Y81.1Confident84.6Confident118 Ų11870.9 Ų70.946%0.46335%0.353SS..EExtended strand (participates in β ladder)trans-126153.4-171.4-62-93.1000110.8S24 S25 W33 V34S24-Y42 WeakPolarHBondContact CA-O 3.23Å; S24-Y42 WeakPolarHBondContact CB-O 3.38Å; S25-Y42 PolarHBondContact N-O 2.82Å; W33-Y42 HydrophobicContact CB-CD1 4.39Å; W33-Y42 HydrophobicContact CE3-CG 4.31Å; V34-Y42 CarbonylContact O-C 3.57Å; V34-Y42 VanDerWaalsContact O-CA 3.28Å; V34-Y42 WeakPolarHBondContact O-CA 3.4Å
43R85.6Confident84.8Confident79 Ų7970 Ų7030%0.29835%0.345SS..EExtended strand (participates in β ladder)trans-97147.3163.8-63.2179.4-64.2156.5-0.7108.2S25 V27 L30 W33 V34S25-R43 WeakPolarHBondContact O-CA 3.44Å; V27-R43 HydrophobicContact CG2-CB 3.91Å; V27-R43 HydrophobicContact CG2-CG 4.23Å; L30-R43 HydrophobicContact CD1-CB 4.07Å; W33-R43 CarbonylContact C-O 3.52Å; W33-R43 WeakPolarHBondContact CA-O 3.38Å; V34-R43 PolarHBondContact N-O 2.89Å; V34-R43 PolarHBondContact O-N 3.47Å
44F91Very high85.1Confident16 Ų1668.1 Ų68.17%0.0735%0.349CS..EExtended strand (participates in β ladder)trans-135148.9-17656.8-95.5000112.4S25 P26 V27 G32 W33 V48 V49 L80S25-F44 PolarHBondContact O-N 2.85Å; S25-F44 VanDerWaalsContact O-N 3.07Å; P26-F44 CarbonylContact C-O 3.54Å; P26-F44 WeakPolarHBondContact CA-O 3.3Å; P26-F44 HydrophobicContact CB-CD2 4.38Å; P26-F44 HydrophobicContact CB-CE2 3.75Å; P26-F44 HydrophobicContact CB-CZ 4.09Å; P26-F44 HydrophobicContact CG-CZ 4.47Å; V27-F44 PolarHBondContact N-O 3.2Å; G32-F44 WeakPolarHBondContact O-CA 3.27Å; W33-F44 HydrophobicContact CD2-CB 4.21Å; W33-F44 HydrophobicContact CE3-CB 3.73Å; W33-F44 HydrophobicContact CE3-CD1 4.4Å; W33-F44 HydrophobicContact CH2-CB 4.34Å; W33-F44 HydrophobicContact CH2-CD1 4.34Å; W33-F44 HydrophobicContact CZ3-CB 3.81Å; W33-F44 AromaticContact CZ3-CD1 3.76Å; W33-F44 HydrophobicContact CZ3-CD1 3.76Å; W33-F44 HydrophobicContact CZ3-CG 4.12Å; F44-V48 HydrophobicContact CB-CB 3.98Å; F44-V48 HydrophobicContact CB-CG1 3.91Å; F44-V48 HydrophobicContact CB-CG2 4.14Å; F44-V48 HydrophobicContact CG-CG1 4.42Å; F44-V49 HydrophobicContact CD2-CG2 3.76Å; F44-V49 HydrophobicContact CE2-CG2 3.52Å; F44-L80 HydrophobicContact CE2-CD1 3.94Å; F44-L80 HydrophobicContact CZ-CD1 4.04Å
45G93.2Very high85.6Confident0 Ų072.9 Ų72.90%037%0.365CS..  trans-82.9173.1178.400000113.3L30 G32 D47 V48L30-G45 VanDerWaalsContact CD2-N 3.27Å; L30-G45 WeakPolarHBondContact O-CA 3.32Å; G32-G45 PolarHBondContact O-N 3.09Å; G45-D47 WeakPolarHBondContact CA-OD1 3.36Å; G45-D47 PolarHBondContact O-N 3.27Å; G45-V48 PolarHBondContact O-N 2.94Å
46P94.8Very high86.2Confident44 Ų4469 Ų6929%0.28635%0.347SS..Hα-helixtrans-64.7-28.1173.727.6-32.7000112.7L30 V48 V49 E50 F75 A76L30-P46 VanDerWaalsContact O-CD 3.31Å; L30-P46 WeakPolarHBondContact O-CD 3.46Å; P46-V48 VanDerWaalsContact C-N 3.34Å; P46-V48 PolarHBondContact O-N 3.35Å; P46-V49 WeakPolarHBondContact O-CB 3.36Å; P46-V49 PolarHBondContact O-N 3.49Å; P46-E50 PolarHBondContact O-N 3.07Å; P46-F75 HydrophobicContact CB-CE1 4.08Å; P46-F75 HydrophobicContact CB-CZ 4.03Å; P46-F75 HydrophobicContact CG-CZ 4.45Å; P46-A76 HydrophobicContact CB-CB 3.67Å
47D94.6Very high87.1Confident47 Ų4775.6 Ų75.625%0.25138%0.382SS..Hα-helixtrans-62.3-39.617661.9-46.2000112.4R31 G32 G45 V49 E50 E51R31-D47 WeakPolarHBondContact CA-OD1 3.47Å; R31-D47 WeakPolarHBondContact CG-OD2 3.13Å; G32-D47 VanDerWaalsContact N-CG 3.35Å; G32-D47 PolarHBondContact N-OD1 3.36Å; G32-D47 PolarHBondContact N-OD2 3.47Å; G45-D47 WeakPolarHBondContact CA-OD1 3.36Å; G45-D47 PolarHBondContact O-N 3.27Å; D47-V49 VanDerWaalsContact C-N 3.31Å; D47-V49 PolarHBondContact O-N 2.83Å; D47-E50 PolarHBondContact O-N 3.04Å; D47-E51 WeakPolarHBondContact O-CB 3.31Å; D47-E51 PolarHBondContact O-N 3.03Å
48V94Very high88Confident12 Ų1270 Ų707%0.07335%0.352CS..Hα-helixtrans-64.5-38.5175.6173.80000111.4G32 W33 F44 G45 P46 F52G32-V48 VanDerWaalsContact C-CG2 3.45Å; G32-V48 VanDerWaalsContact O-CG2 3.23Å; G32-V48 WeakPolarHBondContact O-CG2 3.31Å; W33-V48 HydrophobicContact CD2-CG1 4.25Å; W33-V48 HydrophobicContact CD2-CG2 4.48Å; W33-V48 VanDerWaalsContact CE2-CG1 3.44Å; W33-V48 HydrophobicContact CG-CG2 4.44Å; W33-V48 HydrophobicContact CH2-CG1 3.86Å; W33-V48 HydrophobicContact CZ2-CG1 3.23Å; F44-V48 HydrophobicContact CB-CB 3.98Å; F44-V48 HydrophobicContact CB-CG1 3.91Å; F44-V48 HydrophobicContact CB-CG2 4.14Å; F44-V48 HydrophobicContact CG-CG1 4.42Å; G45-V48 PolarHBondContact O-N 2.94Å; P46-V48 VanDerWaalsContact C-N 3.34Å; P46-V48 PolarHBondContact O-N 3.35Å; V48-F52 VanDerWaalsContact O-CB 3.25Å; V48-F52 WeakPolarHBondContact O-CB 3.36Å; V48-F52 PolarHBondContact O-N 2.9Å
49V94Very high89Confident2 Ų266.4 Ų66.41%0.01235%0.345CS..Hα-helixtrans-66.7-45.6176.9173.80000110.2F44 P46 D47 F52 C53 I61 F75 A76 K79 L80F44-V49 HydrophobicContact CD2-CG2 3.76Å; F44-V49 HydrophobicContact CE2-CG2 3.52Å; P46-V49 WeakPolarHBondContact O-CB 3.36Å; P46-V49 PolarHBondContact O-N 3.49Å; D47-V49 VanDerWaalsContact C-N 3.31Å; D47-V49 PolarHBondContact O-N 2.83Å; V49-F52 PolarHBondContact O-N 3.05Å; V49-C53 WeakPolarHBondContact O-CB 3.42Å; V49-C53 PolarHBondContact O-N 2.77Å; V49-C53 PolarHBondContact O-SG 2.81Å; V49-C53 VanDerWaalsContact O-SG 3.35Å; V49-I61 HydrophobicContact CG1-CD1 3.97Å; V49-F75 HydrophobicContact CG2-CD1 4Å; V49-F75 HydrophobicContact CG2-CE1 3.9Å; V49-A76 HydrophobicContact CB-CB 3.71Å; V49-A76 HydrophobicContact CG1-CB 3.69Å; V49-A76 HydrophobicContact CG2-CB 4.24Å; V49-K79 HydrophobicContact CG1-CB 3.81Å; V49-L80 HydrophobicContact CG1-CB 3.96Å; V49-L80 HydrophobicContact CG2-CB 4.48Å; V49-L80 HydrophobicContact CG2-CD1 4.01Å
50E95.1Very high90.1Very high112 Ų11263.9 Ų63.952%0.52332%0.317SS..Hα-helixtrans-60.4-49.7177.6-174.6172.3-156.300111.6P46 D47 F52 C53 T54 K79P46-E50 PolarHBondContact O-N 3.07Å; D47-E50 PolarHBondContact O-N 3.04Å; E50-F52 VanDerWaalsContact C-N 3.32Å; E50-F52 PolarHBondContact O-N 3.24Å; E50-C53 PolarHBondContact O-N 3.35Å; E50-T54 PolarHBondContact O-N 3.39Å; E50-T54 PolarHBondContact O-OG1 2.83Å; E50-K79 HydrophobicContact CB-CD 4.5Å
51E93.7Very high91.4Very high129 Ų12961.9 Ų61.960%0.60330%0.303SS*.Hα-helixtrans-58-44.5176.3-173.5-170.5159.500111.4D47 T54 K55D47-E51 WeakPolarHBondContact O-CB 3.31Å; D47-E51 PolarHBondContact O-N 3.03Å; E51-T54 PolarHBondContact O-N 3.03Å; E51-K55 WeakPolarHBondContact O-CB 3.36Å; E51-K55 PolarHBondContact O-N 2.86Å
52F93Very high92.4Very high95 Ų9563.9 Ų63.942%0.41732%0.32SS..Hα-helixtrans-63.2-46178.5-177.3-93000111.8V48 V49 E50 T54 K55 M56 I58 I61V48-F52 VanDerWaalsContact O-CB 3.25Å; V48-F52 WeakPolarHBondContact O-CB 3.36Å; V48-F52 PolarHBondContact O-N 2.9Å; V49-F52 PolarHBondContact O-N 3.05Å; E50-F52 VanDerWaalsContact C-N 3.32Å; E50-F52 PolarHBondContact O-N 3.24Å; F52-T54 PolarHBondContact O-N 3.21Å; F52-K55 PolarHBondContact O-N 3.22Å; F52-M56 HydrophobicContact CD1-CG 4.23Å; F52-M56 HydrophobicContact CD2-CG 4.09Å; F52-M56 HydrophobicContact CE1-CB 4.47Å; F52-M56 HydrophobicContact CE1-CG 3.94Å; F52-M56 HydrophobicContact CE2-CG 3.77Å; F52-M56 HydrophobicContact CE2-SD 4.47Å; F52-M56 HydrophobicContact CG-CG 4.32Å; F52-M56 HydrophobicContact CZ-CG 3.7Å; F52-M56 VanDerWaalsContact O-CB 3.31Å; F52-M56 WeakPolarHBondContact O-CB 3.22Å; F52-M56 VanDerWaalsContact O-CG 3.3Å; F52-M56 WeakPolarHBondContact O-CG 3.46Å; F52-M56 PolarHBondContact O-N 2.82Å; F52-I58 HydrophobicContact CD1-CD1 4.07Å; F52-I58 HydrophobicContact CE1-CD1 3.71Å; F52-I61 HydrophobicContact CD1-CD1 3.55Å; F52-I61 HydrophobicContact CD1-CG1 4.11Å; F52-I61 HydrophobicContact CE1-CD1 4.05Å; F52-I61 HydrophobicContact CE1-CG1 4.29Å; F52-I61 HydrophobicContact CG-CD1 4.39Å
53C92.5Very high93Very high3 Ų360.1 Ų60.12%0.0231%0.305CS..Hα-helixtrans-60.1-46.1177.6-75.50000111.5V49 E50 D57 I58 K79V49-C53 WeakPolarHBondContact O-CB 3.42Å; V49-C53 PolarHBondContact O-N 2.77Å; V49-C53 PolarHBondContact O-SG 2.81Å; V49-C53 VanDerWaalsContact O-SG 3.35Å; E50-C53 PolarHBondContact O-N 3.35Å; C53-D57 PolarHBondContact O-N 2.92Å; C53-I58 HydrophobicContact CB-CG1 4.27Å; C53-I58 VanDerWaalsContact CB-O 3.27Å; C53-I58 WeakPolarHBondContact CB-O 2.98Å; C53-I58 PolarHBondContact O-N 2.82Å; C53-K79 HydrophobicContact CB-CD 4.35Å
54T93.9Very high93.3Very high106 Ų10658.9 Ų58.965%0.6531%0.312SS*.Hα-helixtrans-62.4-46176-62.40000112E50 E51 F52 M56 D57E50-T54 PolarHBondContact O-N 3.39Å; E50-T54 PolarHBondContact O-OG1 2.83Å; E51-T54 PolarHBondContact O-N 3.03Å; F52-T54 PolarHBondContact O-N 3.21Å; T54-M56 VanDerWaalsContact C-N 3.33Å; T54-M56 PolarHBondContact O-N 2.86Å; T54-D57 PolarHBondContact O-N 2.83Å
55K93.6Very high93.1Very high163 Ų16362.3 Ų62.371%0.70933%0.328SS*.Hα-helixtrans-65.7-36.2-177.9179.8176.6-179.71750112.8E51 F52E51-K55 WeakPolarHBondContact O-CB 3.36Å; E51-K55 PolarHBondContact O-N 2.86Å; F52-K55 PolarHBondContact O-N 3.22Å
56M92.3Very high92.7Very high55 Ų5564.8 Ų64.827%0.27134%0.34SS..Hα-helixtrans-93.1-2.5-176.8-62.5-60.6-6300113.2Q10 F52 T54 I58Q10-M56 VanDerWaalsContact CD-CE 3.48Å; Q10-M56 HydrophobicContact CG-CE 4.19Å; F52-M56 HydrophobicContact CD1-CG 4.23Å; F52-M56 HydrophobicContact CD2-CG 4.09Å; F52-M56 HydrophobicContact CE1-CB 4.47Å; F52-M56 HydrophobicContact CE1-CG 3.94Å; F52-M56 HydrophobicContact CE2-CG 3.77Å; F52-M56 HydrophobicContact CE2-SD 4.47Å; F52-M56 HydrophobicContact CG-CG 4.32Å; F52-M56 HydrophobicContact CZ-CG 3.7Å; F52-M56 VanDerWaalsContact O-CB 3.31Å; F52-M56 WeakPolarHBondContact O-CB 3.22Å; F52-M56 VanDerWaalsContact O-CG 3.3Å; F52-M56 WeakPolarHBondContact O-CG 3.46Å; F52-M56 PolarHBondContact O-N 2.82Å; T54-M56 VanDerWaalsContact C-N 3.33Å; T54-M56 PolarHBondContact O-N 2.86Å; M56-I58 VanDerWaalsContact C-N 3.35Å; M56-I58 HydrophobicContact CB-CD1 4.44Å; M56-I58 HydrophobicContact CB-CG1 4.27Å; M56-I58 HydrophobicContact CB-CG2 3.99Å; M56-I58 WeakPolarHBondContact O-CG2 3.32Å; M56-I58 PolarHBondContact O-N 3.42Å
57D93.2Very high92.5Very high147 Ų14764.8 Ų64.879%0.78634%0.339SS*.THydrogen-bonded Turntrans52.950.6-175.1-163.134.6000112.1A8 C53 T54A8-D57 WeakPolarHBondContact CB-O 3.41Å; C53-D57 PolarHBondContact O-N 2.92Å; T54-D57 PolarHBondContact O-N 2.83Å
58I92.6Very high92.3Very high22 Ų2263 Ų6311%0.11333%0.33CS..  trans-126.7149.5179.173.3174.1000111.2A8 F52 C53 M56 I61A8-I58 HydrophobicContact CB-CB 3.93Å; A8-I58 HydrophobicContact CB-CG2 3.56Å; F52-I58 HydrophobicContact CD1-CD1 4.07Å; F52-I58 HydrophobicContact CE1-CD1 3.71Å; C53-I58 HydrophobicContact CB-CG1 4.27Å; C53-I58 VanDerWaalsContact CB-O 3.27Å; C53-I58 WeakPolarHBondContact CB-O 2.98Å; C53-I58 PolarHBondContact O-N 2.82Å; M56-I58 VanDerWaalsContact C-N 3.35Å; M56-I58 HydrophobicContact CB-CD1 4.44Å; M56-I58 HydrophobicContact CB-CG1 4.27Å; M56-I58 HydrophobicContact CB-CG2 3.99Å; M56-I58 WeakPolarHBondContact O-CG2 3.32Å; M56-I58 PolarHBondContact O-N 3.42Å; I58-I61 HydrophobicContact CD1-CG1 4.05Å
59D91.3Very high92.2Very high86 Ų8669.7 Ų69.746%0.4636%0.36SS..SBendtrans-90.5-30.6179-44.1-63.8000113.4V5 G6V5-D59 HydrophobicContact CG1-CB 4.11Å; G6-D59 VanDerWaalsContact C-OD2 3.25Å; G6-D59 VanDerWaalsContact CA-OD2 3.28Å; G6-D59 WeakPolarHBondContact CA-OD2 3.36Å; G6-D59 WeakPolarHBondContact O-CB 3.23Å
60L92.9Very high92.2Very high8 Ų875.6 Ų75.64%0.04239%0.386CS..  trans-143.3131.9-169.1-177.166000113.5V5 I7 N78 K79 V81 M100V5-L60 HydrophobicContact CG1-CB 3.64Å; V5-L60 HydrophobicContact CG1-CD1 4.34Å; V5-L60 HydrophobicContact CG1-CD2 4.06Å; V5-L60 HydrophobicContact CG1-CG 4.23Å; I7-L60 HydrophobicContact CD1-CD2 4.14Å; I7-L60 HydrophobicContact CG1-CB 4.29Å; I7-L60 HydrophobicContact CG1-CD2 4.08Å; L60-N78 VanDerWaalsContact CD1-O 3.23Å; L60-N78 WeakPolarHBondContact CD1-O 3.21Å; L60-K79 CarbonylContact C-O 3.55Å; L60-K79 WeakPolarHBondContact CA-O 3.41Å; L60-V81 HydrophobicContact CD1-CB 4.15Å; L60-V81 HydrophobicContact CD1-CG1 3.95Å; L60-V81 HydrophobicContact CD2-CG1 3.99Å; L60-V81 HydrophobicContact CG-CG1 4.17Å; L60-M100 HydrophobicContact CD2-SD 4.36Å
61I94.1Very high92.1Very high39 Ų3970.3 Ų70.320%0.236%0.361CS..EExtended strand (participates in β ladder)trans-95.5116.2166.1-57.1176.2000108.5V49 F52 I58 K79 L80 V81V49-I61 HydrophobicContact CG1-CD1 3.97Å; F52-I61 HydrophobicContact CD1-CD1 3.55Å; F52-I61 HydrophobicContact CD1-CG1 4.11Å; F52-I61 HydrophobicContact CE1-CD1 4.05Å; F52-I61 HydrophobicContact CE1-CG1 4.29Å; F52-I61 HydrophobicContact CG-CD1 4.39Å; I58-I61 HydrophobicContact CD1-CG1 4.05Å; I61-K79 PolarHBondContact N-O 2.8Å; I61-L80 HydrophobicContact CB-CB 4.2Å; I61-L80 HydrophobicContact CB-CD1 4.18Å; I61-L80 HydrophobicContact CB-CG 4.11Å; I61-L80 HydrophobicContact CD1-CD1 4.44Å; I61-L80 HydrophobicContact CG2-CD1 3.99Å; I61-L80 HydrophobicContact CG2-CG 4.22Å; I61-L80 CarbonylContact O-C 3.58Å; I61-L80 VanDerWaalsContact O-CA 3.31Å; I61-L80 WeakPolarHBondContact O-CA 3.17Å; I61-V81 PolarHBondContact O-N 2.76Å
62A94.2Very high92.2Very high58 Ų5867.7 Ų67.748%0.47935%0.346SS..EExtended strand (participates in β ladder)trans-97125.7170.100000110.4V81 M100A62-V81 HydrophobicContact CB-CG1 4.04Å; A62-M100 HydrophobicContact CB-CE 3.73Å
63R93.8Very high92.3Very high40 Ų4068.4 Ų68.415%0.15135%0.35CS..EExtended strand (participates in β ladder)trans-135.5171.7178.371153.7-56.7161.427.9112.1S24 H65 L80 V81 T82 I83S24-R63 PolarHBondContact O-NH1 2.7Å; S24-R63 PolarHBondContact O-NH2 2.91Å; S24-R63 VanDerWaalsContact O-NH2 3.1Å; R63-H65 PolarHBondContact NH2-CD2 2.88Å; R63-L80 HydrophobicContact CG-CD2 4.05Å; R63-L80 HydrophobicContact CG-CG 4.44Å; R63-V81 PolarHBondContact N-O 2.94Å; R63-T82 CarbonylContact O-C 3.6Å; R63-T82 WeakPolarHBondContact O-CA 3.26Å; R63-I83 PolarHBondContact O-N 3.19Å
64A91.1Very high92.4Very high53 Ų5372.3 Ų72.344%0.43837%0.367SS..  trans-126.2-130.4171.700000110.3Q66 I83A64-Q66 PolarHBondContact O-N 3.07Å; A64-I83 VanDerWaalsContact CA-O 3.27Å; A64-I83 WeakPolarHBondContact CA-O 3.12Å; A64-I83 VanDerWaalsContact CB-O 3.28Å; A64-I83 WeakPolarHBondContact CB-O 3.14Å
65H86.8Confident92.5Very high88 Ų8868.6 Ų68.641%0.40734%0.342SS..SBendtrans72.9-35170.8-179.775.5000116.8R63R63-H65 PolarHBondContact NH2-CD2 2.88Å
66Q85.1Confident92.6Very high51 Ų5161.5 Ų61.524%0.23831%0.314CS..SBendtrans-101.4130.1176.4-68.1171.8-77.300110.5A64 V68 T82 F84A64-Q66 PolarHBondContact O-N 3.07Å; Q66-V68 PolarHBondContact O-N 3.28Å; Q66-T82 HydrophobicContact CB-CG2 4.34Å; Q66-F84 VanDerWaalsContact O-CD2 3.3Å; Q66-F84 WeakPolarHBondContact O-CD2 3.39Å
67V89.9Confident92.7Very high45 Ų4565.7 Ų65.727%0.27334%0.337SS..  trans-63.8127.2168.4-173.50000107.6F84 Y89 F93 N95V67-F84 HydrophobicContact CB-CE1 4.42Å; V67-F84 HydrophobicContact CB-CE2 4.41Å; V67-F84 HydrophobicContact CB-CZ 4.34Å; V67-F84 HydrophobicContact CG1-CD1 4.28Å; V67-F84 HydrophobicContact CG1-CE1 4.15Å; V67-F84 HydrophobicContact CG2-CD2 4.42Å; V67-F84 HydrophobicContact CG2-CE1 4.04Å; V67-F84 HydrophobicContact CG2-CE2 3.8Å; V67-F84 HydrophobicContact CG2-CZ 3.59Å; V67-Y89 HydrophobicContact CG2-CD1 3.38Å; V67-Y89 HydrophobicContact CG2-CE1 3.85Å; V67-Y89 HydrophobicContact CG2-CG 3.97Å; V67-F93 HydrophobicContact CG1-CB 4.27Å; V67-F93 HydrophobicContact CG1-CD1 4.12Å; V67-F93 HydrophobicContact CG1-CG 4.09Å; V67-N95 HydrophobicContact CG1-CB 3.89Å
68V92.1Very high92.7Very high9 Ų961.6 Ų61.66%0.05532%0.316CS..  trans-127.8137.5177.6-690000108.7Q66 K70 G71 E73 T82 F84Q66-V68 PolarHBondContact O-N 3.28Å; V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 2.83Å; V68-G71 VanDerWaalsContact CG2-C 3.5Å; V68-G71 PolarHBondContact O-N 2.73Å; V68-E73 HydrophobicContact CB-CB 4.1Å; V68-E73 HydrophobicContact CG1-CB 3.76Å; V68-T82 HydrophobicContact CG1-CG2 3.92Å; V68-T82 HydrophobicContact CG2-CG2 4.38Å; V68-F84 HydrophobicContact CG2-CB 3.87Å
69E91.9Very high92.8Very high152 Ų15263.4 Ų63.471%0.7132%0.323SS*.THydrogen-bonded Turntrans-52.9-46.3-168-172.3-174.3159.900112.8G71 N95 S96E69-G71 VanDerWaalsContact C-N 3.29Å; E69-G71 PolarHBondContact O-N 2.98Å; E69-N95 CarbonylContact O-C 3.52Å; E69-N95 VanDerWaalsContact O-CA 3.26Å; E69-N95 WeakPolarHBondContact O-CA 3.44Å; E69-S96 PolarHBondContact O-N 3.1Å
70K92.8Very high93Very high127 Ų12759.3 Ų59.355%0.55230%0.301SS*.THydrogen-bonded Turntrans-885.8-177.7-61.5-178.5-177.5175.40113.8V68 Y72 V112V68-K70 VanDerWaalsContact C-N 3.32Å; V68-K70 PolarHBondContact O-N 2.83Å; K70-Y72 HydrophobicContact CB-CD1 4.25Å; K70-Y72 HydrophobicContact CB-CE1 4.16Å; K70-Y72 PolarHBondContact O-N 3.41Å; K70-V112 WeakPolarHBondContact O-CG1 3.46Å
71G93Very high93.1Very high0 Ų059 Ų590%030%0.299CS..SBendtrans73.6-3.9-171.400000114.1V68 E69 F84 S96 G98V68-G71 VanDerWaalsContact CG2-C 3.5Å; V68-G71 PolarHBondContact O-N 2.73Å; E69-G71 VanDerWaalsContact C-N 3.29Å; E69-G71 PolarHBondContact O-N 2.98Å; G71-F84 WeakPolarHBondContact CA-O 3.42Å; G71-F84 PolarHBondContact O-N 3.4Å; G71-S96 WeakPolarHBondContact CA-O 3.23Å; G71-S96 PolarHBondContact N-O 2.72Å; G71-G98 WeakPolarHBondContact O-CA 3.07Å; G71-G98 PolarHBondContact O-N 2.96Å
72Y95.8Very high93.2Very high75 Ų7557.2 Ų57.229%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-147158.1165.673.8-77.7000111.7K70 F74 T82 I110 V112K70-Y72 HydrophobicContact CB-CD1 4.25Å; K70-Y72 HydrophobicContact CB-CE1 4.16Å; K70-Y72 PolarHBondContact O-N 3.41Å; Y72-F74 HydrophobicContact CD2-CD2 4.23Å; Y72-F74 HydrophobicContact CD2-CE2 4.08Å; Y72-F74 HydrophobicContact CE2-CD2 4.14Å; Y72-F74 AromaticContact CE2-CE2 3.96Å; Y72-F74 HydrophobicContact CE2-CE2 3.96Å; Y72-T82 CarbonylContact C-O 3.45Å; Y72-T82 WeakPolarHBondContact CA-O 3.3Å; Y72-I110 HydrophobicContact CD1-CD1 4.41Å; Y72-I110 HydrophobicContact CD1-CG2 3.68Å; Y72-I110 HydrophobicContact CD2-CD1 3.45Å; Y72-I110 VanDerWaalsContact CD2-CD1 3.45Å; Y72-I110 HydrophobicContact CE1-CG2 4.26Å; Y72-I110 HydrophobicContact CE2-CD1 4.05Å; Y72-I110 HydrophobicContact CG-CD1 3.66Å; Y72-I110 HydrophobicContact CG-CG2 3.88Å; Y72-V112 HydrophobicContact CD1-CG2 3.9Å; Y72-V112 HydrophobicContact CE1-CG2 3.77Å
73E95.1Very high93.2Very high109 Ų10955.4 Ų55.451%0.50927%0.272SS..EExtended strand (participates in β ladder)trans-152.2135.5173-173.7171.178.300110.8V68 V81 T82V68-E73 HydrophobicContact CB-CB 4.1Å; V68-E73 HydrophobicContact CG1-CB 3.76Å; E73-V81 CarbonylContact O-C 3.54Å; E73-V81 WeakPolarHBondContact O-CA 3.3Å; E73-T82 PolarHBondContact N-O 2.99Å; E73-T82 PolarHBondContact O-N 3.46Å
74F95.7Very high93.3Very high85 Ų8554.7 Ų54.737%0.37327%0.27SS..EExtended strand (participates in β ladder)trans-93.7150.1174.3-76.1-74.5000111.8Y72 N78 L80 V81 I110Y72-F74 HydrophobicContact CD2-CD2 4.23Å; Y72-F74 HydrophobicContact CD2-CE2 4.08Å; Y72-F74 HydrophobicContact CE2-CD2 4.14Å; Y72-F74 AromaticContact CE2-CE2 3.96Å; Y72-F74 HydrophobicContact CE2-CE2 3.96Å; F74-N78 WeakPolarHBondContact CB-OD1 3.02Å; F74-N78 HydrophobicContact CD1-CB 3.93Å; F74-N78 HydrophobicContact CE1-CB 4.34Å; F74-N78 HydrophobicContact CG-CB 4.41Å; F74-N78 WeakPolarHBondContact CG-OD1 3.06Å; F74-L80 CarbonylContact C-O 3.45Å; F74-L80 WeakPolarHBondContact CA-O 3.41Å; F74-V81 HydrophobicContact CD1-CB 3.88Å; F74-V81 HydrophobicContact CD1-CG2 4.07Å; F74-V81 HydrophobicContact CE1-CB 3.78Å; F74-V81 HydrophobicContact CE1-CG2 3.88Å; F74-V81 HydrophobicContact CZ-CG2 4.21Å; F74-I110 HydrophobicContact CE2-CD1 4.2Å; F74-I110 HydrophobicContact CZ-CD1 4.09Å
75F95Very high93.4Very high28 Ų2855.8 Ų55.812%0.12328%0.275CS..EExtended strand (participates in β ladder)trans-142.8157.6179.5-176.9-102.4000110.3P26 P46 V49 N78 K79 L80P26-F75 HydrophobicContact CB-CD1 3.53Å; P26-F75 HydrophobicContact CB-CD2 3.9Å; P26-F75 HydrophobicContact CB-CE1 3.49Å; P26-F75 VanDerWaalsContact CB-CE1 3.49Å; P26-F75 HydrophobicContact CB-CE2 3.86Å; P26-F75 HydrophobicContact CB-CG 3.73Å; P26-F75 HydrophobicContact CB-CZ 3.66Å; P26-F75 HydrophobicContact CG-CG 4.46Å; P46-F75 HydrophobicContact CB-CE1 4.08Å; P46-F75 HydrophobicContact CB-CZ 4.03Å; P46-F75 HydrophobicContact CG-CZ 4.45Å; V49-F75 HydrophobicContact CG2-CD1 4Å; V49-F75 HydrophobicContact CG2-CE1 3.9Å; F75-N78 PolarHBondContact O-N 3.44Å; F75-K79 PolarHBondContact O-N 2.81Å; F75-L80 HydrophobicContact CB-CB 4.22Å; F75-L80 HydrophobicContact CB-CD2 3.86Å; F75-L80 HydrophobicContact CD1-CB 4.38Å; F75-L80 PolarHBondContact N-O 2.82Å; F75-L80 PolarHBondContact O-N 2.97Å; F75-L80 VanDerWaalsContact O-N 3.09Å
76A95.2Very high93.6Very high15 Ų1553.5 Ų53.512%0.12427%0.271CS..THydrogen-bonded Turntrans5060176.600000113.4P46 V49 N78 K79P46-A76 HydrophobicContact CB-CB 3.67Å; V49-A76 HydrophobicContact CB-CB 3.71Å; V49-A76 HydrophobicContact CG1-CB 3.69Å; V49-A76 HydrophobicContact CG2-CB 4.24Å; A76-N78 VanDerWaalsContact C-N 3.32Å; A76-N78 PolarHBondContact O-N 2.82Å; A76-K79 VanDerWaalsContact O-CB 3.23Å; A76-K79 WeakPolarHBondContact O-CB 3.28Å; A76-K79 WeakPolarHBondContact O-CG 3.41Å; A76-K79 PolarHBondContact O-N 3.39Å
77D94.4Very high93.9Very high142 Ų14252.8 Ų52.876%0.75927%0.271SS*.THydrogen-bonded Turntrans5248.3-179.1-164.131.4000113.4K79D77-K79 PolarHBondContact O-N 2.79Å; D77-K79 VanDerWaalsContact O-N 3.16Å
78N94.6Very high93.8Very high62 Ų6253.2 Ų53.233%0.33227%0.272SS..THydrogen-bonded Turntrans6313.2-178.2-47.4-57.9000115.5L60 F74 F75 A76 L80L60-N78 VanDerWaalsContact CD1-O 3.23Å; L60-N78 WeakPolarHBondContact CD1-O 3.21Å; F74-N78 WeakPolarHBondContact CB-OD1 3.02Å; F74-N78 HydrophobicContact CD1-CB 3.93Å; F74-N78 HydrophobicContact CE1-CB 4.34Å; F74-N78 HydrophobicContact CG-CB 4.41Å; F74-N78 WeakPolarHBondContact CG-OD1 3.06Å; F75-N78 PolarHBondContact O-N 3.44Å; A76-N78 VanDerWaalsContact C-N 3.32Å; A76-N78 PolarHBondContact O-N 2.82Å; N78-L80 VanDerWaalsContact C-N 3.32Å
79K94.3Very high93.7Very high59 Ų5957.5 Ų57.526%0.25729%0.288SS..THydrogen-bonded Turntrans-80-11.3174.4-65.5-178.2177.2-690113.9V49 E50 C53 L60 I61 F75 A76 D77V49-K79 HydrophobicContact CG1-CB 3.81Å; E50-K79 HydrophobicContact CB-CD 4.5Å; C53-K79 HydrophobicContact CB-CD 4.35Å; L60-K79 CarbonylContact C-O 3.55Å; L60-K79 WeakPolarHBondContact CA-O 3.41Å; I61-K79 PolarHBondContact N-O 2.8Å; F75-K79 PolarHBondContact O-N 2.81Å; A76-K79 VanDerWaalsContact O-CB 3.23Å; A76-K79 WeakPolarHBondContact O-CB 3.28Å; A76-K79 WeakPolarHBondContact O-CG 3.41Å; A76-K79 PolarHBondContact O-N 3.39Å; D77-K79 PolarHBondContact O-N 2.79Å; D77-K79 VanDerWaalsContact O-N 3.16Å
80L94.8Very high93.5Very high1 Ų154.4 Ų54.41%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-133.3136.7170.5-178.8152.7000110.1P26 F44 V49 I61 R63 F74 F75 N78P26-L80 HydrophobicContact CG-CD2 4.34Å; F44-L80 HydrophobicContact CE2-CD1 3.94Å; F44-L80 HydrophobicContact CZ-CD1 4.04Å; V49-L80 HydrophobicContact CG1-CB 3.96Å; V49-L80 HydrophobicContact CG2-CB 4.48Å; V49-L80 HydrophobicContact CG2-CD1 4.01Å; I61-L80 HydrophobicContact CB-CB 4.2Å; I61-L80 HydrophobicContact CB-CD1 4.18Å; I61-L80 HydrophobicContact CB-CG 4.11Å; I61-L80 HydrophobicContact CD1-CD1 4.44Å; I61-L80 HydrophobicContact CG2-CD1 3.99Å; I61-L80 HydrophobicContact CG2-CG 4.22Å; I61-L80 CarbonylContact O-C 3.58Å; I61-L80 VanDerWaalsContact O-CA 3.31Å; I61-L80 WeakPolarHBondContact O-CA 3.17Å; R63-L80 HydrophobicContact CG-CD2 4.05Å; R63-L80 HydrophobicContact CG-CG 4.44Å; F74-L80 CarbonylContact C-O 3.45Å; F74-L80 WeakPolarHBondContact CA-O 3.41Å; F75-L80 HydrophobicContact CB-CB 4.22Å; F75-L80 HydrophobicContact CB-CD2 3.86Å; F75-L80 HydrophobicContact CD1-CB 4.38Å; F75-L80 PolarHBondContact N-O 2.82Å; F75-L80 PolarHBondContact O-N 2.97Å; F75-L80 VanDerWaalsContact O-N 3.09Å; N78-L80 VanDerWaalsContact C-N 3.32Å
81V95.8Very high93.1Very high0 Ų051 Ų510%028%0.283CS..EExtended strand (participates in β ladder)trans-123.1130.4171.867.20000110.2L60 I61 A62 R63 E73 F74 I83 M100 I110L60-V81 HydrophobicContact CD1-CB 4.15Å; L60-V81 HydrophobicContact CD1-CG1 3.95Å; L60-V81 HydrophobicContact CD2-CG1 3.99Å; L60-V81 HydrophobicContact CG-CG1 4.17Å; I61-V81 PolarHBondContact O-N 2.76Å; A62-V81 HydrophobicContact CB-CG1 4.04Å; R63-V81 PolarHBondContact N-O 2.94Å; E73-V81 CarbonylContact O-C 3.54Å; E73-V81 WeakPolarHBondContact O-CA 3.3Å; F74-V81 HydrophobicContact CD1-CB 3.88Å; F74-V81 HydrophobicContact CD1-CG2 4.07Å; F74-V81 HydrophobicContact CE1-CB 3.78Å; F74-V81 HydrophobicContact CE1-CG2 3.88Å; F74-V81 HydrophobicContact CZ-CG2 4.21Å; V81-I83 HydrophobicContact CG2-CD1 3.79Å; V81-I83 HydrophobicContact CG2-CG1 4.34Å; V81-M100 HydrophobicContact CG1-SD 3.96Å; V81-I110 HydrophobicContact CG2-CD1 4.16Å
82T95Very high92.8Very high2 Ų258.5 Ų58.51%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-93.7128.9165.7-59.90000108.3R63 Q66 V68 Y72 E73R63-T82 CarbonylContact O-C 3.6Å; R63-T82 WeakPolarHBondContact O-CA 3.26Å; Q66-T82 HydrophobicContact CB-CG2 4.34Å; V68-T82 HydrophobicContact CG1-CG2 3.92Å; V68-T82 HydrophobicContact CG2-CG2 4.38Å; Y72-T82 CarbonylContact C-O 3.45Å; Y72-T82 WeakPolarHBondContact CA-O 3.3Å; E73-T82 PolarHBondContact N-O 2.99Å; E73-T82 PolarHBondContact O-N 3.46Å
83I95.4Very high92.4Very high21 Ų2159.5 Ų59.511%0.10832%0.324CS..EExtended strand (participates in β ladder)trans-115.7132172.5-57-63.6000108.7R63 A64 V81 G98 M100 I110R63-I83 PolarHBondContact O-N 3.19Å; A64-I83 VanDerWaalsContact CA-O 3.27Å; A64-I83 WeakPolarHBondContact CA-O 3.12Å; A64-I83 VanDerWaalsContact CB-O 3.28Å; A64-I83 WeakPolarHBondContact CB-O 3.14Å; V81-I83 HydrophobicContact CG2-CD1 3.79Å; V81-I83 HydrophobicContact CG2-CG1 4.34Å; I83-G98 VanDerWaalsContact CG2-O 3.31Å; I83-G98 WeakPolarHBondContact CG2-O 3.15Å; I83-M100 HydrophobicContact CD1-CB 3.97Å; I83-M100 HydrophobicContact CG1-CB 4.09Å; I83-I110 HydrophobicContact CD1-CD1 4.02Å; I83-I110 HydrophobicContact CD1-CG1 4.35Å
84F94.7Very high92.2Very high24 Ų2461.8 Ų61.811%0.10534%0.339CS..  trans-130.9119.8176.6-164.3-92.9000110.3Q66 V67 V68 G71 A86 Y89 N95 A97 G98Q66-F84 VanDerWaalsContact O-CD2 3.3Å; Q66-F84 WeakPolarHBondContact O-CD2 3.39Å; V67-F84 HydrophobicContact CB-CE1 4.42Å; V67-F84 HydrophobicContact CB-CE2 4.41Å; V67-F84 HydrophobicContact CB-CZ 4.34Å; V67-F84 HydrophobicContact CG1-CD1 4.28Å; V67-F84 HydrophobicContact CG1-CE1 4.15Å; V67-F84 HydrophobicContact CG2-CD2 4.42Å; V67-F84 HydrophobicContact CG2-CE1 4.04Å; V67-F84 HydrophobicContact CG2-CE2 3.8Å; V67-F84 HydrophobicContact CG2-CZ 3.59Å; V68-F84 HydrophobicContact CG2-CB 3.87Å; G71-F84 WeakPolarHBondContact CA-O 3.42Å; G71-F84 PolarHBondContact O-N 3.4Å; F84-A86 HydrophobicContact CD1-CB 4.48Å; F84-A86 HydrophobicContact CE1-CB 3.73Å; F84-A86 VanDerWaalsContact CE1-O 3.23Å; F84-A86 WeakPolarHBondContact CE1-O 3.36Å; F84-A86 HydrophobicContact CZ-CB 4.2Å; F84-Y89 AromaticContact CE1-CD2 3.93Å; F84-Y89 HydrophobicContact CE1-CD2 3.93Å; F84-Y89 AromaticContact CE1-CG 3.91Å; F84-Y89 HydrophobicContact CE1-CG 3.91Å; F84-Y89 HydrophobicContact CZ-CD1 4.19Å; F84-Y89 AromaticContact CZ-CD2 3.55Å; F84-Y89 HydrophobicContact CZ-CD2 3.55Å; F84-Y89 HydrophobicContact CZ-CE1 4.49Å; F84-Y89 AromaticContact CZ-CE2 3.92Å; F84-Y89 HydrophobicContact CZ-CE2 3.92Å; F84-Y89 AromaticContact CZ-CG 3.7Å; F84-Y89 HydrophobicContact CZ-CG 3.7Å; F84-N95 WeakPolarHBondContact CD1-ND2 3.43Å; F84-A97 CarbonylContact O-C 3.57Å; F84-A97 WeakPolarHBondContact O-CA 3.34Å; F84-G98 PolarHBondContact O-N 3.25Å
85S93.1Very high92Very high77 Ų7758 Ų5854%0.53832%0.323SS..  trans-108.96.6-165.3-50.90000114.9A97 G98S85-A97 WeakPolarHBondContact O-CB 2.99Å; S85-G98 PolarHBondContact OG-O 2.99Å
86A91.7Very high91.9Very high39 Ų3957.4 Ų57.432%0.32232%0.322SS..  trans-103.4104.8175.500000109.5F84 Y89 N95F84-A86 HydrophobicContact CD1-CB 4.48Å; F84-A86 HydrophobicContact CE1-CB 3.73Å; F84-A86 VanDerWaalsContact CE1-O 3.23Å; F84-A86 WeakPolarHBondContact CE1-O 3.36Å; F84-A86 HydrophobicContact CZ-CB 4.2Å; A86-Y89 HydrophobicContact CB-CD2 4.08Å; A86-N95 PolarHBondContact O-ND2 3.2Å
87P91.4Very high91.9Very high37 Ų3757.2 Ų57.224%0.2432%0.321CS..SBendtrans-73.2152.3177.332.7-29.9000109.6Y89 N95 A97 L115P87-Y89 VanDerWaalsContact C-N 3.35Å; P87-Y89 PolarHBondContact O-N 3.09Å; P87-N95 VanDerWaalsContact CA-O 3.3Å; P87-N95 WeakPolarHBondContact CA-O 3.25Å; P87-A97 HydrophobicContact CB-CB 4.02Å; P87-A97 HydrophobicContact CG-CB 4.09Å; P87-L115 HydrophobicContact CB-CB 4.1Å; P87-L115 HydrophobicContact CB-CD1 4.34Å; P87-L115 HydrophobicContact CG-CB 4.37Å; P87-L115 HydrophobicContact CG-CD1 3.85Å
88N89.2Confident91.9Very high54 Ų5450.5 Ų50.529%0.28929%0.286SS..SBendtrans49.851.7-175.8-170.722.8000113.1C90 G91 F93 N95 L115N88-C90 PolarHBondContact O-N 2.8Å; N88-G91 PolarHBondContact O-N 3.02Å; N88-G91 VanDerWaalsContact OD1-CA 3.31Å; N88-G91 WeakPolarHBondContact OD1-CA 3.27Å; N88-F93 WeakPolarHBondContact CA-O 3.31Å; N88-F93 PolarHBondContact OD1-O 3.17Å; N88-F93 VanDerWaalsContact OD1-O 3.06Å; N88-N95 PolarHBondContact N-O 2.91Å; N88-L115 HydrophobicContact CB-CB 4.25Å; N88-L115 HydrophobicContact CB-CD1 4.19Å; N88-L115 HydrophobicContact CB-CD2 3.9Å; N88-L115 HydrophobicContact CB-CG 4.34Å
89Y88.1Confident91.9Very high98 Ų9851.9 Ų51.938%0.38429%0.292SS..G310 helixtrans-54.4126.1-169.8-175.1-119.7000111.4V67 F84 A86 P87 G91 Q92 F93 N95V67-Y89 HydrophobicContact CG2-CD1 3.38Å; V67-Y89 HydrophobicContact CG2-CE1 3.85Å; V67-Y89 HydrophobicContact CG2-CG 3.97Å; F84-Y89 AromaticContact CE1-CD2 3.93Å; F84-Y89 HydrophobicContact CE1-CD2 3.93Å; F84-Y89 AromaticContact CE1-CG 3.91Å; F84-Y89 HydrophobicContact CE1-CG 3.91Å; F84-Y89 HydrophobicContact CZ-CD1 4.19Å; F84-Y89 AromaticContact CZ-CD2 3.55Å; F84-Y89 HydrophobicContact CZ-CD2 3.55Å; F84-Y89 HydrophobicContact CZ-CE1 4.49Å; F84-Y89 AromaticContact CZ-CE2 3.92Å; F84-Y89 HydrophobicContact CZ-CE2 3.92Å; F84-Y89 AromaticContact CZ-CG 3.7Å; F84-Y89 HydrophobicContact CZ-CG 3.7Å; A86-Y89 HydrophobicContact CB-CD2 4.08Å; P87-Y89 VanDerWaalsContact C-N 3.35Å; P87-Y89 PolarHBondContact O-N 3.09Å; Y89-G91 PolarHBondContact O-N 3.45Å; Y89-Q92 PolarHBondContact O-N 3.44Å; Y89-F93 AromaticContact CD1-CD2 3.86Å; Y89-F93 HydrophobicContact CD1-CD2 3.86Å; Y89-F93 AromaticContact CD1-CE2 3.92Å; Y89-F93 HydrophobicContact CD1-CE2 3.92Å; Y89-F93 HydrophobicContact CG-CD2 4.44Å; Y89-F93 WeakPolarHBondContact O-CD2 3.21Å; Y89-F93 PolarHBondContact O-N 2.97Å; Y89-N95 VanDerWaalsContact CB-OD1 3.31Å; Y89-N95 WeakPolarHBondContact CB-OD1 3.28Å; Y89-N95 PolarHBondContact N-OD1 3.04Å
90C87.6Confident91.9Very high88 Ų8851 Ų5160%0.59529%0.29SS*.G310 helixtrans52.115.7-176.2-66.10000115.7N88 Q92N88-C90 PolarHBondContact O-N 2.8Å; C90-Q92 PolarHBondContact O-N 3.47Å
91G84.7Confident91.9Very high55 Ų5553.9 Ų53.957%0.56731%0.305SS*.G310 helixtrans69.211.8-17300000114.4N88 Y89N88-G91 PolarHBondContact O-N 3.02Å; N88-G91 VanDerWaalsContact OD1-CA 3.31Å; N88-G91 WeakPolarHBondContact OD1-CA 3.27Å; Y89-G91 PolarHBondContact O-N 3.45Å
92Q87.7Confident91.8Very high158 Ų15857.1 Ų57.174%0.73832%0.324SS*.THydrogen-bonded Turntrans-115.9-15.8-171.4-69.8-179.9-200113.5Y89 C90Y89-Q92 PolarHBondContact O-N 3.44Å; C90-Q92 PolarHBondContact O-N 3.47Å
93F87.1Confident91.7Very high96 Ų9660.4 Ų60.442%0.42134%0.342SS..  trans-120.3139.7-177.6-64.4-91.8000108.8V67 N88 Y89 N95V67-F93 HydrophobicContact CG1-CB 4.27Å; V67-F93 HydrophobicContact CG1-CD1 4.12Å; V67-F93 HydrophobicContact CG1-CG 4.09Å; N88-F93 WeakPolarHBondContact CA-O 3.31Å; N88-F93 PolarHBondContact OD1-O 3.17Å; N88-F93 VanDerWaalsContact OD1-O 3.06Å; Y89-F93 AromaticContact CD1-CD2 3.86Å; Y89-F93 HydrophobicContact CD1-CD2 3.86Å; Y89-F93 AromaticContact CD1-CE2 3.92Å; Y89-F93 HydrophobicContact CD1-CE2 3.92Å; Y89-F93 HydrophobicContact CG-CD2 4.44Å; Y89-F93 WeakPolarHBondContact O-CD2 3.21Å; Y89-F93 PolarHBondContact O-N 2.97Å; F93-N95 HydrophobicContact CB-CB 4.36Å; F93-N95 WeakPolarHBondContact CB-OD1 3.33Å; F93-N95 PolarHBondContact O-N 3.06Å; F93-N95 VanDerWaalsContact O-N 3.17Å
94D90.4Very high91.7Very high156 Ų15664.2 Ų64.283%0.83438%0.377SS*.  trans-89.241.9172.5-165.121.5000111.4
95N92.5Very high91.6Very high6 Ų669.7 Ų69.73%0.03241%0.407CS..PPolyproline II helixtrans-86146.2-175.476.8-81000111.7V67 E69 F84 A86 P87 N88 Y89 F93V67-N95 HydrophobicContact CG1-CB 3.89Å; E69-N95 CarbonylContact O-C 3.52Å; E69-N95 VanDerWaalsContact O-CA 3.26Å; E69-N95 WeakPolarHBondContact O-CA 3.44Å; F84-N95 WeakPolarHBondContact CD1-ND2 3.43Å; A86-N95 PolarHBondContact O-ND2 3.2Å; P87-N95 VanDerWaalsContact CA-O 3.3Å; P87-N95 WeakPolarHBondContact CA-O 3.25Å; N88-N95 PolarHBondContact N-O 2.91Å; Y89-N95 VanDerWaalsContact CB-OD1 3.31Å; Y89-N95 WeakPolarHBondContact CB-OD1 3.28Å; Y89-N95 PolarHBondContact N-OD1 3.04Å; F93-N95 HydrophobicContact CB-CB 4.36Å; F93-N95 WeakPolarHBondContact CB-OD1 3.33Å; F93-N95 PolarHBondContact O-N 3.06Å; F93-N95 VanDerWaalsContact O-N 3.17Å
96S93.4Very high91.5Very high15 Ų1569.6 Ų69.611%0.10540%0.4CS..PPolyproline II helixtrans-79.7166.6167.9-51.20000111.3E69 G71 L114E69-S96 PolarHBondContact O-N 3.1Å; G71-S96 WeakPolarHBondContact CA-O 3.23Å; G71-S96 PolarHBondContact N-O 2.72Å; S96-L114 WeakPolarHBondContact OG-CD2 3.31Å
97A93.6Very high91.4Very high11 Ų1172 Ų729%0.09140%0.403CS..EExtended strand (participates in β ladder)trans-99.2129.5168.800000110.9F84 S85 P87 V112 T113F84-A97 CarbonylContact O-C 3.57Å; F84-A97 WeakPolarHBondContact O-CA 3.34Å; S85-A97 WeakPolarHBondContact O-CB 2.99Å; P87-A97 HydrophobicContact CB-CB 4.02Å; P87-A97 HydrophobicContact CG-CB 4.09Å; A97-V112 CarbonylContact O-C 3.53Å; A97-V112 VanDerWaalsContact O-CA 3.3Å; A97-V112 WeakPolarHBondContact O-CA 3.31Å; A97-T113 PolarHBondContact N-O 2.93Å; A97-T113 PolarHBondContact O-N 2.98Å
98G94.7Very high91.4Very high2 Ų271.9 Ų71.92%0.02140%0.403CS..EExtended strand (participates in β ladder)trans-100.2145.9171.700000112.2G71 I83 F84 S85 R111G71-G98 WeakPolarHBondContact O-CA 3.07Å; G71-G98 PolarHBondContact O-N 2.96Å; I83-G98 VanDerWaalsContact CG2-O 3.31Å; I83-G98 WeakPolarHBondContact CG2-O 3.15Å; F84-G98 PolarHBondContact O-N 3.25Å; S85-G98 PolarHBondContact OG-O 2.99Å; G98-R111 CarbonylContact C-O 3.56Å; G98-R111 WeakPolarHBondContact CA-O 3.37Å
99L94.1Very high91.6Very high91 Ų9176.8 Ų76.848%0.47642%0.417SS..EExtended strand (participates in β ladder)trans-133.1117.2169.9175.867.6000108.9L101 I110 R111L99-L101 HydrophobicContact CD2-CD2 4.05Å; L99-L101 HydrophobicContact CG-CD2 4.28Å; L99-I110 CarbonylContact O-C 3.51Å; L99-I110 WeakPolarHBondContact O-CA 3.23Å; L99-R111 HydrophobicContact CB-CB 4.47Å; L99-R111 PolarHBondContact N-O 3.4Å; L99-R111 PolarHBondContact O-N 3.28Å
100M95.2Very high91.9Very high40 Ų4074 Ų7420%0.19741%0.409CS..EExtended strand (participates in β ladder)trans-89117.1174.4-170.3174.975.200110.3I7 L60 A62 V81 I83 V102 C108 I110I7-M100 HydrophobicContact CD1-CE 3.88Å; L60-M100 HydrophobicContact CD2-SD 4.36Å; A62-M100 HydrophobicContact CB-CE 3.73Å; V81-M100 HydrophobicContact CG1-SD 3.96Å; I83-M100 HydrophobicContact CD1-CB 3.97Å; I83-M100 HydrophobicContact CG1-CB 4.09Å; M100-V102 HydrophobicContact CE-CG2 3.84Å; M100-V102 HydrophobicContact CG-CG2 4.26Å; M100-C108 HydrophobicContact CG-CB 4.36Å; M100-C108 HydrophobicContact SD-CB 4.34Å; M100-I110 HydrophobicContact CB-CG1 4.48Å; M100-I110 HydrophobicContact CG-CG1 4.36Å
101L94.7Very high92.2Very high62 Ų6276.6 Ų76.633%0.32541%0.406SS..EExtended strand (participates in β ladder)trans-95.9127.1172.4-60.5170.2000108.4L99 C108 R109 R111L99-L101 HydrophobicContact CD2-CD2 4.05Å; L99-L101 HydrophobicContact CG-CD2 4.28Å; L101-C108 CarbonylContact O-C 3.53Å; L101-C108 WeakPolarHBondContact O-CA 3.3Å; L101-R109 HydrophobicContact CB-CB 4.47Å; L101-R109 PolarHBondContact N-O 2.98Å; L101-R109 PolarHBondContact O-N 3.17Å; L101-R111 HydrophobicContact CD1-CG 3.9Å; L101-R111 VanDerWaalsContact CD1-NE 3.32Å
102V94.4Very high92.6Very high67 Ų6777.2 Ų77.241%0.40640%0.399SS..EExtended strand (participates in β ladder)trans-117.2121.7177.6-173.60000107.5I7 M100 L106 K107I7-V102 HydrophobicContact CD1-CG1 4.06Å; I7-V102 HydrophobicContact CD1-CG2 3.7Å; M100-V102 HydrophobicContact CE-CG2 3.84Å; M100-V102 HydrophobicContact CG-CG2 4.26Å; V102-L106 HydrophobicContact CG1-CD2 4.41Å; V102-K107 WeakPolarHBondContact CA-O 3.37Å
103D92.8Very high92.7Very high72 Ų7273.1 Ų73.139%0.38538%0.384SS..  trans-87.5178.6178.577.115.2000112.9N105 L106 K107D103-N105 PolarHBondContact O-N 3.41Å; D103-N105 WeakPolarHBondContact OD1-CA 3.2Å; D103-N105 WeakPolarHBondContact OD1-CB 3.4Å; D103-N105 PolarHBondContact OD1-N 2.79Å; D103-L106 WeakPolarHBondContact O-CA 3.4Å; D103-L106 PolarHBondContact O-N 2.83Å; D103-L106 PolarHBondContact OD1-N 2.96Å; D103-K107 PolarHBondContact N-O 3.4Å; D103-K107 VanDerWaalsContact N-O 3.07Å; D103-K107 WeakPolarHBondContact OD1-CB 3.43Å; D103-K107 PolarHBondContact OD1-N 2.87Å; D103-K107 WeakPolarHBondContact OD2-CB 3.19Å
104A94.1Very high92.5Very high101 Ų10174 Ų7484%0.83539%0.393SS*.THydrogen-bonded Turntrans-65-19.8-179.100000113.9L106A104-L106 VanDerWaalsContact C-N 3.27Å
105N92.9Very high91.8Very high139 Ų13970.2 Ų70.274%0.74337%0.372SS*.THydrogen-bonded Turntrans-9414.7174-56.4-53.6000111.5D103 K107D103-N105 PolarHBondContact O-N 3.41Å; D103-N105 WeakPolarHBondContact OD1-CA 3.2Å; D103-N105 WeakPolarHBondContact OD1-CB 3.4Å; D103-N105 PolarHBondContact OD1-N 2.79Å; N105-K107 PolarHBondContact O-N 3.31Å
106L90.7Very high90.4Very high75 Ų7578.4 Ų78.439%0.39341%0.408SS..  trans62.216-177.4-54.7169.8000114.1I7 V102 D103 A104 C108I7-L106 HydrophobicContact CB-CD2 4.43Å; I7-L106 WeakPolarHBondContact O-CD1 3.23Å; I7-L106 WeakPolarHBondContact O-CD2 3.37Å; V102-L106 HydrophobicContact CG1-CD2 4.41Å; D103-L106 WeakPolarHBondContact O-CA 3.4Å; D103-L106 PolarHBondContact O-N 2.83Å; D103-L106 PolarHBondContact OD1-N 2.96Å; A104-L106 VanDerWaalsContact C-N 3.27Å; L106-C108 PolarHBondContact O-N 3.25Å
107K90.4Very high88.6Confident89 Ų8984.7 Ų84.739%0.38744%0.435SS..  trans-72.4126.1176.2-174.8176.8-178.2169.80109.6T4 V102 D103 N105T4-K107 HydrophobicContact CG2-CG 4.34Å; V102-K107 WeakPolarHBondContact CA-O 3.37Å; D103-K107 PolarHBondContact N-O 3.4Å; D103-K107 VanDerWaalsContact N-O 3.07Å; D103-K107 WeakPolarHBondContact OD1-CB 3.43Å; D103-K107 PolarHBondContact OD1-N 2.87Å; D103-K107 WeakPolarHBondContact OD2-CB 3.19Å; N105-K107 PolarHBondContact O-N 3.31Å
108C92Very high86.2Confident34 Ų3491.8 Ų91.823%0.2347%0.466CS..EExtended strand (participates in β ladder)trans-91.7133.4177.9-60.80000111.4I7 M100 L101 L106I7-C108 WeakPolarHBondContact CD1-SG 3.39Å; M100-C108 HydrophobicContact CG-CB 4.36Å; M100-C108 HydrophobicContact SD-CB 4.34Å; L101-C108 CarbonylContact O-C 3.53Å; L101-C108 WeakPolarHBondContact O-CA 3.3Å; L106-C108 PolarHBondContact O-N 3.25Å
109R93.1Very high83.8Confident157 Ų15798.7 Ų98.759%0.59250%0.502SS*.EExtended strand (participates in β ladder)trans-130.5128.7169.3-176.1-173.5-56.7-176.56.2109.3L101L101-R109 HydrophobicContact CB-CB 4.47Å; L101-R109 PolarHBondContact N-O 2.98Å; L101-R109 PolarHBondContact O-N 3.17Å
110I93.8Very high81.5Confident41 Ų4198.8 Ų98.821%0.2151%0.507CS..EExtended strand (participates in β ladder)trans-98.5125.4176.6-57.1174.4000109.1Y72 F74 V81 I83 L99 M100 V112Y72-I110 HydrophobicContact CD1-CD1 4.41Å; Y72-I110 HydrophobicContact CD1-CG2 3.68Å; Y72-I110 HydrophobicContact CD2-CD1 3.45Å; Y72-I110 VanDerWaalsContact CD2-CD1 3.45Å; Y72-I110 HydrophobicContact CE1-CG2 4.26Å; Y72-I110 HydrophobicContact CE2-CD1 4.05Å; Y72-I110 HydrophobicContact CG-CD1 3.66Å; Y72-I110 HydrophobicContact CG-CG2 3.88Å; F74-I110 HydrophobicContact CE2-CD1 4.2Å; F74-I110 HydrophobicContact CZ-CD1 4.09Å; V81-I110 HydrophobicContact CG2-CD1 4.16Å; I83-I110 HydrophobicContact CD1-CD1 4.02Å; I83-I110 HydrophobicContact CD1-CG1 4.35Å; L99-I110 CarbonylContact O-C 3.51Å; L99-I110 WeakPolarHBondContact O-CA 3.23Å; M100-I110 HydrophobicContact CB-CG1 4.48Å; M100-I110 HydrophobicContact CG-CG1 4.36Å; I110-V112 HydrophobicContact CG2-CG2 4.31Å
111R94Very high79.1Confident142 Ų142105.2 Ų105.254%0.53654%0.538SS..EExtended strand (participates in β ladder)trans-97.9135.6166.6-68.1-171.4179.7179.43.4108.8G98 L99 L101G98-R111 CarbonylContact C-O 3.56Å; G98-R111 WeakPolarHBondContact CA-O 3.37Å; L99-R111 HydrophobicContact CB-CB 4.47Å; L99-R111 PolarHBondContact N-O 3.4Å; L99-R111 PolarHBondContact O-N 3.28Å; L101-R111 HydrophobicContact CD1-CG 3.9Å; L101-R111 VanDerWaalsContact CD1-NE 3.32Å
112V93.4Very high77.1Confident68 Ų68107.8 Ų107.841%0.41256%0.557SS.*EExtended strand (participates in β ladder)trans-113.6132.4177.6-1780000108.7K70 Y72 A97 I110K70-V112 WeakPolarHBondContact O-CG1 3.46Å; Y72-V112 HydrophobicContact CD1-CG2 3.9Å; Y72-V112 HydrophobicContact CE1-CG2 3.77Å; A97-V112 CarbonylContact O-C 3.53Å; A97-V112 VanDerWaalsContact O-CA 3.3Å; A97-V112 WeakPolarHBondContact O-CA 3.31Å; I110-V112 HydrophobicContact CG2-CG2 4.31Å
113T88.6Confident75Confident72 Ų72109.9 Ų109.944%0.44257%0.572SS.*EExtended strand (participates in β ladder)trans-125.2130.9177.9-540000109A97 F116A97-T113 PolarHBondContact N-O 2.93Å; A97-T113 PolarHBondContact O-N 2.98Å; T113-F116 HydrophobicContact CG2-CE2 4.22Å
114L84.4Confident73.4Confident115 Ų115111.3 Ų111.360%0.60259%0.594SS**  trans-85.7157.7171.5-67.1167.9000109.8S96 F116S96-L114 WeakPolarHBondContact OG-CD2 3.31Å; L114-F116 PolarHBondContact O-N 3.32Å
115L75.5Confident71.9Confident76 Ų76117.6 Ų117.640%0.39861%0.611SS.*  trans-60.8110.6167.4-165.988.6000107.5P87 N88 H117P87-L115 HydrophobicContact CB-CB 4.1Å; P87-L115 HydrophobicContact CB-CD1 4.34Å; P87-L115 HydrophobicContact CG-CB 4.37Å; P87-L115 HydrophobicContact CG-CD1 3.85Å; N88-L115 HydrophobicContact CB-CB 4.25Å; N88-L115 HydrophobicContact CB-CD1 4.19Å; N88-L115 HydrophobicContact CB-CD2 3.9Å; N88-L115 HydrophobicContact CB-CG 4.34Å; L115-H117 VanDerWaalsContact C-N 3.34Å; L115-H117 PolarHBondContact O-N 2.92Å
116F61.8Low70.8Confident178 Ų178116.6 Ų116.678%0.78160%0.604SS**  trans-66.5101.8163.5-72.7-79.1000106.4T113 L114 Q118T113-F116 HydrophobicContact CG2-CE2 4.22Å; L114-F116 PolarHBondContact O-N 3.32Å; F116-Q118 PolarHBondContact O-N 3.17Å
117H56.6Low69.8Low146 Ų146118.7 Ų118.768%0.67662%0.615SS**  trans-61.190.5153.7-97.474.1000106.1L115 L119L115-H117 VanDerWaalsContact C-N 3.34Å; L115-H117 PolarHBondContact O-N 2.92Å; H117-L119 PolarHBondContact O-N 2.93Å
118Q42.1Very low68.6Low160 Ų160120.4 Ų120.475%0.74863%0.628SS**  trans-67.785.5154.1-86.6-166.6-38.200106.6F116 T120F116-Q118 PolarHBondContact O-N 3.17Å; Q118-T120 PolarHBondContact O-N 2.9Å
119L44.5Very low67.3Low147 Ų147125.5 Ų125.577%0.7765%0.651SS**  trans-58.380.6143.2-74162.8000107.4H117H117-L119 PolarHBondContact O-N 2.93Å
120T46.6Very low65.6Low94 Ų94123.5 Ų123.558%0.57766%0.655SS**  trans-116.461.3149.556.30000107.3Q118 T122Q118-T120 PolarHBondContact O-N 2.9Å; T120-T122 PolarHBondContact O-N 3.08Å
121M43.7Very low63.8Low175 Ų175129 Ų12986%0.86269%0.685SS**  trans-80.272.7149.2-72.8-72.4156.700106.5
122T53.4Low61.6Low116 Ų116128.1 Ų128.171%0.71270%0.695SS**  trans-70.7121.4152.139.80000105.8T120 A124T120-T122 PolarHBondContact O-N 3.08Å; T122-A124 PolarHBondContact O-N 3.3Å
123P51.1Low59.2Low111 Ų111132.7 Ų132.772%0.72172%0.717SS**  trans-62.2131.2167.921.6-18.9000106.9I125P123-I125 PolarHBondContact O-N 3.27Å; P123-I125 VanDerWaalsContact O-N 3.08Å
124A57.8Low56.7Low102 Ų102137.8 Ų137.884%0.84374%0.74SS**  trans-58114.4160.300000106.6T122T122-A124 PolarHBondContact O-N 3.3Å
125I63Low54.2Low233 Ų233139.8 Ų139.8100%1.19575%0.753SS**  trans-79.10158.7-55.8175000106.4P123P123-I125 PolarHBondContact O-N 3.27Å; P123-I125 VanDerWaalsContact O-N 3.08Å

Retrieved 125 of 125 residues in 61.8 ms (Link to these results)