A0A913KVJ1_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0A913KVJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 87 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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 low39.3Very low221 Ų221119.1 Ų119.1100%1.08964%0.636SS**  0101.40-178.4177.9-100.300106.8I3M1-I3 HydrophobicContact CG-CG1 4.15Å; M1-I3 PolarHBondContact O-N 2.85Å
2I25.6Very low39.4Very low162 Ų162123.9 Ų123.983%0.83165%0.652SS**  trans-74.8107.1173.5-61.6171.1000104.6D4I2-D4 PolarHBondContact O-N 2.6Å
3I35Very low40.5Very low141 Ų141119.2 Ų119.272%0.72362%0.623SS**  trans-84110.4171.8-56.2176.1000104.9M1 R5M1-I3 HydrophobicContact CG-CG1 4.15Å; M1-I3 PolarHBondContact O-N 2.85Å; I3-R5 PolarHBondContact O-N 2.9Å
4D41Very low40.9Very low143 Ų143116.7 Ų116.777%0.76562%0.619SS**  trans-47.1134.1179.6-104.3-64.1000111.8I2 Q6I2-D4 PolarHBondContact O-N 2.6Å; D4-Q6 PolarHBondContact O-N 3.46Å
5R45.1Very low41.9Very low149 Ų149118.1 Ų118.156%0.56264%0.637SS**SBendtrans-6925.3-161.9-79.6-175.2166.3-171.4-8.3116.6I3 F86 G87I3-R5 PolarHBondContact O-N 2.9Å; R5-F86 PolarHBondContact NH1-O 2.73Å; R5-G87 VanDerWaalsContact CZ-OXT 3.25Å; R5-G87 PolarHBondContact NH1-OXT 3.45Å; R5-G87 PolarHBondContact NH2-O 2.95Å; R5-G87 PolarHBondContact NH2-OXT 3.26Å
6Q37.2Very low42.9Very low157 Ų157115.3 Ų115.373%0.73465%0.645SS**  trans-144.386.4174.1-74.4-172.719.800112.2D4 A8D4-Q6 PolarHBondContact O-N 3.46Å; Q6-A8 PolarHBondContact O-N 3.35Å
7A41.7Very low43.9Very low80 Ų80112 Ų11266%0.66162%0.623SS**  trans-80.290.5157.300000108.1
8A45.7Very low44.8Very low65 Ų65110.8 Ų110.854%0.53762%0.624SS.*  trans-88124.6164.200000107.9Q6Q6-A8 PolarHBondContact O-N 3.35Å
9F43.5Very low45.7Very low67 Ų67108.6 Ų108.629%0.29461%0.61SS.*  trans-110.1137.1167.365-92.1000109.1I11 F61 V82 F84F9-I11 HydrophobicContact CD2-CD1 4.12Å; F9-I11 HydrophobicContact CD2-CG1 3.75Å; F9-I11 HydrophobicContact CE2-CD1 3.72Å; F9-I11 HydrophobicContact CE2-CG1 3.85Å; F9-F61 HydrophobicContact CE2-CZ 4.43Å; F9-F61 HydrophobicContact CZ-CZ 4.48Å; F9-V82 HydrophobicContact CZ-CB 4.46Å; F9-V82 HydrophobicContact CZ-CG2 4.27Å; F9-F84 AromaticContact CE1-CE2 3.99Å; F9-F84 HydrophobicContact CE1-CE2 3.99Å; F9-F84 HydrophobicContact CE1-CZ 4.26Å
10S40.7Very low46.3Very low85 Ų85106.7 Ų106.759%0.59460%0.604SS**EExtended strand (participates in β ladder)trans-104.9123.917358.70000108.7
11I46.8Very low47.5Very low40 Ų40103.9 Ų103.921%0.20559%0.585CS.*EExtended strand (participates in β ladder)trans-99.9119.4167.9-45.7178.5000107.2F9 F13 F61F9-I11 HydrophobicContact CD2-CD1 4.12Å; F9-I11 HydrophobicContact CD2-CG1 3.75Å; F9-I11 HydrophobicContact CE2-CD1 3.72Å; F9-I11 HydrophobicContact CE2-CG1 3.85Å; I11-F13 HydrophobicContact CB-CE1 4.2Å; I11-F13 HydrophobicContact CB-CE2 3.83Å; I11-F13 HydrophobicContact CB-CZ 3.47Å; I11-F13 VanDerWaalsContact CB-CZ 3.47Å; I11-F13 HydrophobicContact CD1-CZ 4.35Å; I11-F13 HydrophobicContact CG1-CZ 4.5Å; I11-F13 HydrophobicContact CG2-CD1 4.23Å; I11-F13 HydrophobicContact CG2-CE1 3.34Å; I11-F13 HydrophobicContact CG2-CE2 3.87Å; I11-F13 HydrophobicContact CG2-CZ 3.14Å; I11-F13 WeakPolarHBondContact O-CE2 3.33Å; I11-F61 HydrophobicContact CD1-CE2 4.49Å; I11-F61 HydrophobicContact CD1-CZ 4.44Å
12Q40.2Very low49.4Very low177 Ų17797.8 Ų97.883%0.82756%0.56SS**  trans-92.6134.7174.6-68.6-178.6-44.100109
13F54.8Low51.9Low63 Ų6392.9 Ų92.928%0.27654%0.54SS..  trans-118.4147.7-179.4-58.3-72.5000110.9I11 L19 F46I11-F13 HydrophobicContact CB-CE1 4.2Å; I11-F13 HydrophobicContact CB-CE2 3.83Å; I11-F13 HydrophobicContact CB-CZ 3.47Å; I11-F13 VanDerWaalsContact CB-CZ 3.47Å; I11-F13 HydrophobicContact CD1-CZ 4.35Å; I11-F13 HydrophobicContact CG1-CZ 4.5Å; I11-F13 HydrophobicContact CG2-CD1 4.23Å; I11-F13 HydrophobicContact CG2-CE1 3.34Å; I11-F13 HydrophobicContact CG2-CE2 3.87Å; I11-F13 HydrophobicContact CG2-CZ 3.14Å; I11-F13 WeakPolarHBondContact O-CE2 3.33Å; F13-L19 HydrophobicContact CD2-CD1 3.95Å; F13-L19 HydrophobicContact CE2-CD1 3.78Å; F13-L19 HydrophobicContact CG-CD1 4.47Å; F13-L19 HydrophobicContact CZ-CD1 4.2Å; F13-F46 AromaticContact CD1-CD1 3.69Å; F13-F46 HydrophobicContact CD1-CD1 3.69Å; F13-F46 AromaticContact CD1-CE1 3.69Å; F13-F46 HydrophobicContact CD1-CE1 3.69Å; F13-F46 HydrophobicContact CD1-CG 4.43Å; F13-F46 HydrophobicContact CD1-CZ 4.38Å; F13-F46 AromaticContact CE1-CD1 3.32Å; F13-F46 HydrophobicContact CE1-CD1 3.32Å; F13-F46 HydrophobicContact CE1-CD2 4.35Å; F13-F46 AromaticContact CE1-CE1 2.91Å; F13-F46 HydrophobicContact CE1-CE1 2.91Å; F13-F46 HydrophobicContact CE1-CE2 4.01Å; F13-F46 HydrophobicContact CE1-CG 4.02Å; F13-F46 AromaticContact CE1-CZ 3.25Å; F13-F46 HydrophobicContact CE1-CZ 3.25Å; F13-F46 AromaticContact CE2-CE1 3.9Å; F13-F46 HydrophobicContact CE2-CE1 3.9Å; F13-F46 HydrophobicContact CE2-CZ 4.4Å; F13-F46 HydrophobicContact CG-CE1 4.45Å; F13-F46 AromaticContact CZ-CD1 3.91Å; F13-F46 HydrophobicContact CZ-CD1 3.91Å; F13-F46 AromaticContact CZ-CE1 3.02Å; F13-F46 HydrophobicContact CZ-CE1 3.02Å; F13-F46 HydrophobicContact CZ-CE2 4.34Å; F13-F46 AromaticContact CZ-CZ 3.25Å; F13-F46 HydrophobicContact CZ-CZ 3.25Å
14C45.9Very low53.8Low84 Ų8487.7 Ų87.757%0.56852%0.517SS*.  trans-70.8142.3174.3-65.80000110.4G16C14-G16 PolarHBondContact O-N 2.76Å
15P55.8Low55.5Low137 Ų13784.1 Ų84.189%0.8950%0.502SS*.THydrogen-bonded Turntrans-59.7132.3174.125-32.8000110.5
16G57.9Low56.8Low74 Ų7484.1 Ų84.176%0.76350%0.503SS*.THydrogen-bonded Turntrans104.6-3.7179.300000116.1C14C14-G16 PolarHBondContact O-N 2.76Å
17Q60.2Low58.5Low59 Ų5981.2 Ų81.228%0.27650%0.498SS..  trans-83.3133.6174.5-61.9-175.41.700111.1C47Q17-C47 WeakPolarHBondContact CG-O 3.05Å
18S59.6Low59.8Low91 Ų9182 Ų8264%0.63649%0.487SS*.EExtended strand (participates in β ladder)trans-79.4126.2169.9-67.20000109.2
19L61.5Low60.8Low69 Ų6986.6 Ų86.636%0.36150%0.495SS..EExtended strand (participates in β ladder)trans-112.8117.6-177.6-170.8151.5000109.5F13 F21 F46F13-L19 HydrophobicContact CD2-CD1 3.95Å; F13-L19 HydrophobicContact CE2-CD1 3.78Å; F13-L19 HydrophobicContact CG-CD1 4.47Å; F13-L19 HydrophobicContact CZ-CD1 4.2Å; L19-F21 HydrophobicContact CD2-CB 4.05Å; L19-F46 HydrophobicContact CD1-CD1 4.05Å; L19-F46 HydrophobicContact CD1-CE1 3.54Å; L19-F46 HydrophobicContact CG-CD1 4.2Å; L19-F46 HydrophobicContact CG-CE1 3.9Å
20S59Low61.7Low70 Ų7084.6 Ų84.649%0.4949%0.489SS..EExtended strand (participates in β ladder)trans-106.6120.9168.8-660000108.7L45S20-L45 PolarHBondContact N-O 3.4Å; S20-L45 PolarHBondContact O-N 2.8Å
21F69.8Low62.7Low48 Ų4892.2 Ų92.221%0.21151%0.506CS..EExtended strand (participates in β ladder)trans-109.3128.4176.2173.1-106.4000109.8L19 F42 F44 S73 V75 L80L19-F21 HydrophobicContact CD2-CB 4.05Å; F21-F42 HydrophobicContact CE2-CB 4.26Å; F21-F42 AromaticContact CE2-CD1 3.91Å; F21-F42 HydrophobicContact CE2-CD1 3.91Å; F21-F42 AromaticContact CZ-CD1 3.73Å; F21-F42 HydrophobicContact CZ-CD1 3.73Å; F21-F42 HydrophobicContact CZ-CE1 4.36Å; F21-F44 AromaticContact CD2-CD1 3.59Å; F21-F44 HydrophobicContact CD2-CD1 3.59Å; F21-F44 AromaticContact CD2-CE1 3.14Å; F21-F44 HydrophobicContact CD2-CE1 3.14Å; F21-F44 HydrophobicContact CD2-CG 4.47Å; F21-F44 AromaticContact CD2-CZ 3.76Å; F21-F44 HydrophobicContact CD2-CZ 3.76Å; F21-F44 HydrophobicContact CE2-CD1 4.25Å; F21-F44 AromaticContact CE2-CE1 3.41Å; F21-F44 HydrophobicContact CE2-CE1 3.41Å; F21-F44 VanDerWaalsContact CE2-CE1 3.41Å; F21-F44 HydrophobicContact CE2-CE2 4.43Å; F21-F44 AromaticContact CE2-CZ 3.53Å; F21-F44 HydrophobicContact CE2-CZ 3.53Å; F21-F44 HydrophobicContact CG-CE1 4.29Å; F21-S73 WeakPolarHBondContact CE1-OG 3.34Å; F21-S73 WeakPolarHBondContact CZ-OG 3.29Å; F21-V75 HydrophobicContact CD1-CG2 4.4Å; F21-L80 HydrophobicContact CD2-CD1 4.19Å; F21-L80 HydrophobicContact CG-CD1 4.42Å
22V70.1Confident63.4Low92 Ų9298 Ų9856%0.55854%0.537SS*.EExtended strand (participates in β ladder)trans-130.5128.4172.3-178.10000108.2A43V22-A43 PolarHBondContact N-O 2.81Å; V22-A43 PolarHBondContact O-N 2.78Å
23S78Confident64.3Low60 Ų6094.4 Ų94.442%0.4252%0.523SS..EExtended strand (participates in β ladder)trans-118.8132.3171.161.40000109.9S41S23-S41 WeakPolarHBondContact CA-O 3.11Å
24S75.5Confident64.7Low32 Ų3297.5 Ų97.522%0.22455%0.549CS..EExtended strand (participates in β ladder)trans-130.9135.5171.356.10000110.2Y26 C40 S41S24-Y26 WeakPolarHBondContact OG-CE2 3.36Å; S24-C40 CarbonylContact O-C 3.56Å; S24-C40 WeakPolarHBondContact O-CA 3.49Å; S24-S41 PolarHBondContact N-O 2.05Å; S24-S41 PolarHBondContact O-N 3.05Å; S24-S41 PolarHBondContact O-OG 2.78Å; S24-S41 PolarHBondContact OG-OG 3.26Å
25C76.1Confident65.6Low68 Ų6898.2 Ų98.246%0.45955%0.546SS..EExtended strand (participates in β ladder)trans-120.4129.8174.4-70.30000108.8V39 C40C25-V39 WeakPolarHBondContact CA-O 3.33Å; C25-C40 HydrophobicContact CB-CB 4.19Å; C25-C40 WeakPolarHBondContact CB-SG 3.33Å; C25-C40 WeakPolarHBondContact SG-CB 3.1Å; C25-C40 CovalentContact SG-SG 2.05Å; C25-C40 PolarHBondContact SG-SG 2.88Å
26Y73Confident65.9Low149 Ų14995 Ų9558%0.58453%0.526SS*.EExtended strand (participates in β ladder)trans-120.1135.1177.6-57.1-80.1000109.4S24 F28 A38 V39S24-Y26 WeakPolarHBondContact OG-CE2 3.36Å; Y26-F28 PolarHBondContact O-N 2.83Å; Y26-A38 CarbonylContact O-C 3.56Å; Y26-A38 WeakPolarHBondContact O-CA 3.25Å; Y26-V39 PolarHBondContact N-O 2.87Å; Y26-V39 PolarHBondContact O-N 3.37Å
27P72.1Confident66.6Low96 Ų9692.8 Ų92.862%0.62350%0.497SS*.EExtended strand (participates in β ladder)trans-64.5122.917028.3-32.4000108.6F29P27-F29 HydrophobicContact CB-CD2 4.41Å; P27-F29 HydrophobicContact CB-CE2 3.9Å; P27-F29 HydrophobicContact CG-CE2 4.39Å
28F70.7Confident67.1Low97 Ų9791 Ų9143%0.42549%0.492SS..EExtended strand (participates in β ladder)trans-106.199.6176-171.8-107.1000108.8Y26 S30 T37 V39 Y64Y26-F28 PolarHBondContact O-N 2.83Å; F28-S30 PolarHBondContact O-N 3.22Å; F28-T37 CarbonylContact C-O 3.52Å; F28-T37 WeakPolarHBondContact CA-O 3.18Å; F28-T37 PolarHBondContact N-O 2.7Å; F28-T37 VanDerWaalsContact O-O 3.06Å; F28-T37 PolarHBondContact O-OG1 2.92Å; F28-V39 HydrophobicContact CB-CB 4.48Å; F28-V39 HydrophobicContact CB-CG2 3.62Å; F28-V39 HydrophobicContact CD1-CG2 4.49Å; F28-V39 HydrophobicContact CD2-CG2 4.47Å; F28-V39 HydrophobicContact CG-CG2 3.97Å; F28-Y64 HydrophobicContact CD1-CE1 4.14Å; F28-Y64 HydrophobicContact CE1-CE1 4.46Å
29F65.1Low67.8Low161 Ų16187.8 Ų87.871%0.70647%0.469SS*.  trans-82.988.2170.6-66.8-83.3000108.4P27 Y31P27-F29 HydrophobicContact CB-CD2 4.41Å; P27-F29 HydrophobicContact CB-CE2 3.9Å; P27-F29 HydrophobicContact CG-CE2 4.39Å; F29-Y31 PolarHBondContact O-N 2.83Å
30S63.6Low68.6Low25 Ų2584.5 Ų84.518%0.17545%0.452CS..  trans-74.8123.3162.571.80000108.2F28 L32 L33F28-S30 PolarHBondContact O-N 3.22Å; S30-L32 PolarHBondContact O-N 3.47Å; S30-L33 PolarHBondContact O-N 3.03Å; S30-L33 WeakPolarHBondContact OG-CB 3.42Å; S30-L33 WeakPolarHBondContact OG-CD1 3.39Å; S30-L33 PolarHBondContact OG-N 2.81Å
31Y61.2Low69.6Low244 Ų24482.6 Ų82.696%0.95744%0.439SS*.THydrogen-bonded Turntrans-57.1-13.3173.2-74.5-86.2000113.2F29F29-Y31 PolarHBondContact O-N 2.83Å
32L62Low70.1Confident162 Ų16280.6 Ų80.685%0.84843%0.43SS*.THydrogen-bonded Turntrans-92.8-17.9-177-65.7170.8000114.2S30S30-L32 PolarHBondContact O-N 3.47Å
33L57.8Low70.4Confident101 Ų10177.4 Ų77.453%0.52941%0.414SS..  trans-121.3120.8-179.2-75.2129.9000110.7S30 I35S30-L33 PolarHBondContact O-N 3.03Å; S30-L33 WeakPolarHBondContact OG-CB 3.42Å; S30-L33 WeakPolarHBondContact OG-CD1 3.39Å; S30-L33 PolarHBondContact OG-N 2.81Å; L33-I35 PolarHBondContact O-N 2.8Å
34P63.2Low70.4Confident129 Ų12974.6 Ų74.684%0.83839%0.394SS*.SBendtrans-721.9179.829.8-35.2000113.7
35I65.4Low70.3Confident98 Ų9876.2 Ų76.250%0.50340%0.399SS..SBendtrans-100.8125.7-177.5-54.4175.5000108L33 T37L33-I35 PolarHBondContact O-N 2.8Å; I35-T37 PolarHBondContact O-N 3.29Å
36P63.1Low70.1Confident71 Ų7173.7 Ų73.746%0.46138%0.381SS..  trans-62.2108.1174.510.3-10.1000109.2S67P36-S67 VanDerWaalsContact CB-OG 3.29Å; P36-S67 WeakPolarHBondContact CB-OG 3.45Å; P36-S67 VanDerWaalsContact CG-OG 3.24Å; P36-S67 WeakPolarHBondContact CG-OG 3.43Å; P36-S67 WeakPolarHBondContact O-CB 3.41Å; P36-S67 PolarHBondContact O-N 2.79Å; P36-S67 PolarHBondContact O-OG 3.33Å
37T71Confident70.1Confident26 Ų2668.1 Ų68.116%0.1636%0.363CS..EExtended strand (participates in β ladder)trans-101.5133.8174.6480000109.1F28 I35F28-T37 CarbonylContact C-O 3.52Å; F28-T37 WeakPolarHBondContact CA-O 3.18Å; F28-T37 PolarHBondContact N-O 2.7Å; F28-T37 VanDerWaalsContact O-O 3.06Å; F28-T37 PolarHBondContact O-OG1 2.92Å; I35-T37 PolarHBondContact O-N 3.29Å
38A70.7Confident69.9Low21 Ų2165 Ų6517%0.17435%0.346CS..EExtended strand (participates in β ladder)trans-99.8139.9166.900000108.9Y26 V65Y26-A38 CarbonylContact O-C 3.56Å; Y26-A38 WeakPolarHBondContact O-CA 3.25Å; A38-V65 PolarHBondContact N-O 2.93Å; A38-V65 PolarHBondContact O-N 2.05Å
39V75.3Confident69.9Low24 Ų2465.3 Ų65.315%0.14536%0.357CS..EExtended strand (participates in β ladder)trans-100.3116.6169.1176.60000106.9C25 Y26 F28 V62 Y64C25-V39 WeakPolarHBondContact CA-O 3.33Å; Y26-V39 PolarHBondContact N-O 2.87Å; Y26-V39 PolarHBondContact O-N 3.37Å; F28-V39 HydrophobicContact CB-CB 4.48Å; F28-V39 HydrophobicContact CB-CG2 3.62Å; F28-V39 HydrophobicContact CD1-CG2 4.49Å; F28-V39 HydrophobicContact CD2-CG2 4.47Å; F28-V39 HydrophobicContact CG-CG2 3.97Å; V39-V62 HydrophobicContact CG1-CG1 3.55Å; V39-Y64 HydrophobicContact CG2-CD1 3.54Å; V39-Y64 HydrophobicContact CG2-CE1 3.24Å; V39-Y64 HydrophobicContact CG2-CG 4.34Å
40C78.1Confident70Confident1 Ų162.6 Ų62.61%0.00735%0.349CS..EExtended strand (participates in β ladder)trans-107.8124.6177-65.60000109.4S24 C25 F42 V62 M63 V65 I71S24-C40 CarbonylContact O-C 3.56Å; S24-C40 WeakPolarHBondContact O-CA 3.49Å; C25-C40 HydrophobicContact CB-CB 4.19Å; C25-C40 WeakPolarHBondContact CB-SG 3.33Å; C25-C40 WeakPolarHBondContact SG-CB 3.1Å; C25-C40 CovalentContact SG-SG 2.05Å; C25-C40 PolarHBondContact SG-SG 2.88Å; C40-F42 HydrophobicContact CB-CE2 3.96Å; C40-F42 HydrophobicContact CB-CZ 4.13Å; C40-V62 WeakPolarHBondContact O-CA 3.4Å; C40-M63 HydrophobicContact CB-CG 3.96Å; C40-M63 HydrophobicContact CB-SD 4.47Å; C40-M63 PolarHBondContact N-O 2.8Å; C40-M63 PolarHBondContact O-N 2.81Å; C40-V65 HydrophobicContact CB-CG2 4.22Å; C40-I71 HydrophobicContact CB-CD1 3.87Å; C40-I71 WeakPolarHBondContact SG-CD1 3.21Å
41S79.7Confident70.4Confident30 Ų3070.5 Ų70.521%0.2138%0.384CS..EExtended strand (participates in β ladder)trans-106.5136.8170.857.80000110.1S23 S24 F61S23-S41 WeakPolarHBondContact CA-O 3.11Å; S24-S41 PolarHBondContact N-O 2.05Å; S24-S41 PolarHBondContact O-N 3.05Å; S24-S41 PolarHBondContact O-OG 2.78Å; S24-S41 PolarHBondContact OG-OG 3.26Å; S41-F61 CarbonylContact C-O 3.56Å; S41-F61 VanDerWaalsContact CA-O 3.26Å; S41-F61 WeakPolarHBondContact CA-O 3.31Å
42F80.1Confident71.1Confident5 Ų566.3 Ų66.32%0.02238%0.378CS..EExtended strand (participates in β ladder)trans-121.1120.3175.4-56.7-85.8000107.8F21 C40 F44 I60 F61 M63 I71 F84F21-F42 HydrophobicContact CE2-CB 4.26Å; F21-F42 AromaticContact CE2-CD1 3.91Å; F21-F42 HydrophobicContact CE2-CD1 3.91Å; F21-F42 AromaticContact CZ-CD1 3.73Å; F21-F42 HydrophobicContact CZ-CD1 3.73Å; F21-F42 HydrophobicContact CZ-CE1 4.36Å; C40-F42 HydrophobicContact CB-CE2 3.96Å; C40-F42 HydrophobicContact CB-CZ 4.13Å; F42-F44 HydrophobicContact CB-CE2 3.87Å; F42-F44 HydrophobicContact CB-CZ 4.2Å; F42-I60 CarbonylContact O-C 3.48Å; F42-I60 VanDerWaalsContact O-CA 3.31Å; F42-I60 WeakPolarHBondContact O-CA 3.33Å; F42-F61 HydrophobicContact CB-CB 4.42Å; F42-F61 PolarHBondContact N-O 2.86Å; F42-F61 PolarHBondContact O-N 3.25Å; F42-M63 HydrophobicContact CE2-CG 3.83Å; F42-M63 HydrophobicContact CE2-SD 3.58Å; F42-M63 VanDerWaalsContact CE2-SD 3.58Å; F42-M63 HydrophobicContact CZ-SD 4.15Å; F42-I71 HydrophobicContact CE1-CG2 4.14Å; F42-I71 HydrophobicContact CZ-CD1 4.2Å; F42-I71 HydrophobicContact CZ-CG2 3.84Å; F42-F84 HydrophobicContact CE2-CE1 4.28Å
43A77.1Confident71.4Confident26 Ų2662.3 Ų62.322%0.21536%0.363CS..EExtended strand (participates in β ladder)trans-111.6135.3177.300000109.7V22 L58 I59 I60V22-A43 PolarHBondContact N-O 2.81Å; V22-A43 PolarHBondContact O-N 2.78Å; A43-L58 HydrophobicContact CB-CD1 4.33Å; A43-I59 CarbonylContact C-O 3.54Å; A43-I59 WeakPolarHBondContact CA-O 3.06Å; A43-I60 HydrophobicContact CB-CG1 4.22Å
44F77.6Confident72.2Confident1 Ų162 Ų620%0.00437%0.37CS..EExtended strand (participates in β ladder)trans-127.1116.7177.3-54.9-89.5000109.5F21 F42 F46 L58 I59 F61 L80 V82F21-F44 AromaticContact CD2-CD1 3.59Å; F21-F44 HydrophobicContact CD2-CD1 3.59Å; F21-F44 AromaticContact CD2-CE1 3.14Å; F21-F44 HydrophobicContact CD2-CE1 3.14Å; F21-F44 HydrophobicContact CD2-CG 4.47Å; F21-F44 AromaticContact CD2-CZ 3.76Å; F21-F44 HydrophobicContact CD2-CZ 3.76Å; F21-F44 HydrophobicContact CE2-CD1 4.25Å; F21-F44 AromaticContact CE2-CE1 3.41Å; F21-F44 HydrophobicContact CE2-CE1 3.41Å; F21-F44 VanDerWaalsContact CE2-CE1 3.41Å; F21-F44 HydrophobicContact CE2-CE2 4.43Å; F21-F44 AromaticContact CE2-CZ 3.53Å; F21-F44 HydrophobicContact CE2-CZ 3.53Å; F21-F44 HydrophobicContact CG-CE1 4.29Å; F42-F44 HydrophobicContact CB-CE2 3.87Å; F42-F44 HydrophobicContact CB-CZ 4.2Å; F44-F46 HydrophobicContact CB-CD2 4.31Å; F44-F46 HydrophobicContact CB-CE1 3.96Å; F44-F46 HydrophobicContact CB-CE2 3.33Å; F44-F46 HydrophobicContact CB-CZ 3.15Å; F44-F46 HydrophobicContact CD1-CZ 4.17Å; F44-F46 HydrophobicContact CG-CE2 4.34Å; F44-F46 AromaticContact CG-CZ 3.86Å; F44-F46 HydrophobicContact CG-CZ 3.86Å; F44-L58 CarbonylContact O-C 3.49Å; F44-L58 WeakPolarHBondContact O-CA 3.22Å; F44-I59 PolarHBondContact N-O 3.34Å; F44-I59 PolarHBondContact O-N 2.83Å; F44-F61 AromaticContact CD2-CD2 3.69Å; F44-F61 HydrophobicContact CD2-CD2 3.69Å; F44-F61 AromaticContact CD2-CE2 3.67Å; F44-F61 HydrophobicContact CD2-CE2 3.67Å; F44-F61 AromaticContact CE2-CD2 3.45Å; F44-F61 HydrophobicContact CE2-CD2 3.45Å; F44-F61 VanDerWaalsContact CE2-CD2 3.45Å; F44-F61 AromaticContact CE2-CE2 3.66Å; F44-F61 HydrophobicContact CE2-CE2 3.66Å; F44-L80 HydrophobicContact CD1-CD1 4.16Å; F44-L80 HydrophobicContact CD1-CD2 4.36Å; F44-L80 HydrophobicContact CE1-CD1 3.48Å; F44-L80 VanDerWaalsContact CE1-CD1 3.48Å; F44-L80 HydrophobicContact CE1-CD2 3.24Å; F44-L80 HydrophobicContact CE1-CG 3.93Å; F44-L80 HydrophobicContact CZ-CD1 4.47Å; F44-L80 HydrophobicContact CZ-CD2 3.46Å; F44-L80 VanDerWaalsContact CZ-CD2 3.46Å; F44-V82 HydrophobicContact CZ-CG2 4.35Å
45L73Confident72.9Confident65 Ų6560.3 Ų60.334%0.3435%0.353SS..EExtended strand (participates in β ladder)trans-100.5124.3172.7-173.570.8000108.9S20 C56 L58S20-L45 PolarHBondContact N-O 3.4Å; S20-L45 PolarHBondContact O-N 2.8Å; L45-C56 HydrophobicContact CD1-CB 4.28Å; L45-L58 HydrophobicContact CB-CD1 3.99Å; L45-L58 HydrophobicContact CD1-CB 4.02Å; L45-L58 HydrophobicContact CD1-CD1 4.06Å
46F73.3Confident73.5Confident15 Ų1559 Ų597%0.06635%0.352CS..EExtended strand (participates in β ladder)trans-120.5123.8177.2-48.5-75000108.9F13 L19 F44 C56 S57 I59F13-F46 AromaticContact CD1-CD1 3.69Å; F13-F46 HydrophobicContact CD1-CD1 3.69Å; F13-F46 AromaticContact CD1-CE1 3.69Å; F13-F46 HydrophobicContact CD1-CE1 3.69Å; F13-F46 HydrophobicContact CD1-CG 4.43Å; F13-F46 HydrophobicContact CD1-CZ 4.38Å; F13-F46 AromaticContact CE1-CD1 3.32Å; F13-F46 HydrophobicContact CE1-CD1 3.32Å; F13-F46 HydrophobicContact CE1-CD2 4.35Å; F13-F46 AromaticContact CE1-CE1 2.91Å; F13-F46 HydrophobicContact CE1-CE1 2.91Å; F13-F46 HydrophobicContact CE1-CE2 4.01Å; F13-F46 HydrophobicContact CE1-CG 4.02Å; F13-F46 AromaticContact CE1-CZ 3.25Å; F13-F46 HydrophobicContact CE1-CZ 3.25Å; F13-F46 AromaticContact CE2-CE1 3.9Å; F13-F46 HydrophobicContact CE2-CE1 3.9Å; F13-F46 HydrophobicContact CE2-CZ 4.4Å; F13-F46 HydrophobicContact CG-CE1 4.45Å; F13-F46 AromaticContact CZ-CD1 3.91Å; F13-F46 HydrophobicContact CZ-CD1 3.91Å; F13-F46 AromaticContact CZ-CE1 3.02Å; F13-F46 HydrophobicContact CZ-CE1 3.02Å; F13-F46 HydrophobicContact CZ-CE2 4.34Å; F13-F46 AromaticContact CZ-CZ 3.25Å; F13-F46 HydrophobicContact CZ-CZ 3.25Å; L19-F46 HydrophobicContact CD1-CD1 4.05Å; L19-F46 HydrophobicContact CD1-CE1 3.54Å; L19-F46 HydrophobicContact CG-CD1 4.2Å; L19-F46 HydrophobicContact CG-CE1 3.9Å; F44-F46 HydrophobicContact CB-CD2 4.31Å; F44-F46 HydrophobicContact CB-CE1 3.96Å; F44-F46 HydrophobicContact CB-CE2 3.33Å; F44-F46 HydrophobicContact CB-CZ 3.15Å; F44-F46 HydrophobicContact CD1-CZ 4.17Å; F44-F46 HydrophobicContact CG-CE2 4.34Å; F44-F46 AromaticContact CG-CZ 3.86Å; F44-F46 HydrophobicContact CG-CZ 3.86Å; F46-C56 CarbonylContact O-C 3.55Å; F46-C56 VanDerWaalsContact O-CA 3.25Å; F46-C56 WeakPolarHBondContact O-CA 3.26Å; F46-S57 PolarHBondContact N-O 2.92Å; F46-S57 PolarHBondContact O-N 2.93Å; F46-I59 HydrophobicContact CD2-CD1 4.2Å; F46-I59 HydrophobicContact CD2-CG1 4.23Å; F46-I59 HydrophobicContact CE2-CB 4.27Å; F46-I59 HydrophobicContact CE2-CD1 3.68Å; F46-I59 HydrophobicContact CE2-CG1 3.85Å
47C72.4Confident74Confident32 Ų3259.1 Ų59.122%0.21636%0.355CS..EExtended strand (participates in β ladder)trans-111.3121.5172.8-62.50000109.8Q17 L55 C56Q17-C47 WeakPolarHBondContact CG-O 3.05Å; C47-L55 CarbonylContact C-O 3.51Å; C47-L55 WeakPolarHBondContact CA-O 3.44Å; C47-C56 HydrophobicContact CB-CB 4.21Å; C47-C56 WeakPolarHBondContact CB-SG 3.06Å; C47-C56 WeakPolarHBondContact SG-CB 3.45Å; C47-C56 CovalentContact SG-SG 2.05Å; C47-C56 PolarHBondContact SG-SG 2.63Å
48A68.1Low74.4Confident31 Ų3162.9 Ų62.926%0.25637%0.373SS..EExtended strand (participates in β ladder)trans-105.8129.5175.400000110L50 L55A48-L50 PolarHBondContact O-N 3.46Å; A48-L55 PolarHBondContact N-O 2.79Å; A48-L55 PolarHBondContact O-N 3.21Å
49P71.1Confident74.7Confident104 Ų10465.1 Ų65.168%0.67538%0.381SS*.EExtended strand (participates in β ladder)trans-71.8119.8172.129.4-32.1000109.4
50L67Low74.9Confident103 Ų10368.7 Ų68.754%0.53940%0.399SS..EExtended strand (participates in β ladder)trans-116.388.1177.8-165.4100.8000109.2A48 D52 S53 L55A48-L50 PolarHBondContact O-N 3.46Å; L50-D52 PolarHBondContact O-N 3.47Å; L50-S53 CarbonylContact C-O 3.54Å; L50-S53 WeakPolarHBondContact CA-O 3.39Å; L50-S53 WeakPolarHBondContact CB-O 3.35Å; L50-S53 PolarHBondContact N-O 2.85Å; L50-S53 PolarHBondContact O-N 2.92Å; L50-L55 HydrophobicContact CB-CD1 4.23Å; L50-L55 HydrophobicContact CB-CG 4.21Å; L50-L55 HydrophobicContact CD1-CD1 3.97Å; L50-L55 HydrophobicContact CD2-CD1 4.03Å; L50-L55 HydrophobicContact CD2-CG 4.46Å; L50-L55 HydrophobicContact CG-CD1 4.29Å
51Q71.3Confident74.8Confident191 Ų19172.1 Ų72.189%0.89341%0.414SS*.THydrogen-bonded Turntrans50.4-54175.4-67-177.12.200116.9
52D75.8Confident74.7Confident156 Ų15675 Ų7583%0.83443%0.43SS*.THydrogen-bonded Turntrans-134.6-5.1176.3-58.7-69.4000113.7L50L50-D52 PolarHBondContact O-N 3.47Å
53S68.3Low74.4Confident78 Ų7876.1 Ų76.155%0.54544%0.436SS..EExtended strand (participates in β ladder)trans-134.3141.2-175.6-68.70000111.6L50L50-S53 CarbonylContact C-O 3.54Å; L50-S53 WeakPolarHBondContact CA-O 3.39Å; L50-S53 WeakPolarHBondContact CB-O 3.35Å; L50-S53 PolarHBondContact N-O 2.85Å; L50-S53 PolarHBondContact O-N 2.92Å
54S74.5Confident74.2Confident95 Ų9581.7 Ų81.766%0.66445%0.452SS*.EExtended strand (participates in β ladder)trans-87.1112.3171-65.50000109.1C56S54-C56 PolarHBondContact O-N 3.13Å
55L78.7Confident73.7Confident94 Ų9482 Ų8249%0.49245%0.454SS..EExtended strand (participates in β ladder)trans-84.1111.2170.4-72.5-179.8000108.5C47 A48 L50C47-L55 CarbonylContact C-O 3.51Å; C47-L55 WeakPolarHBondContact CA-O 3.44Å; A48-L55 PolarHBondContact N-O 2.79Å; A48-L55 PolarHBondContact O-N 3.21Å; L50-L55 HydrophobicContact CB-CD1 4.23Å; L50-L55 HydrophobicContact CB-CG 4.21Å; L50-L55 HydrophobicContact CD1-CD1 3.97Å; L50-L55 HydrophobicContact CD2-CD1 4.03Å; L50-L55 HydrophobicContact CD2-CG 4.46Å; L50-L55 HydrophobicContact CG-CD1 4.29Å
56C78.5Confident73.3Confident71 Ų7181.1 Ų81.148%0.4845%0.452SS..EExtended strand (participates in β ladder)trans-101.4123173.3-63.60000110.3L45 F46 C47 S54L45-C56 HydrophobicContact CD1-CB 4.28Å; F46-C56 CarbonylContact O-C 3.55Å; F46-C56 VanDerWaalsContact O-CA 3.25Å; F46-C56 WeakPolarHBondContact O-CA 3.26Å; C47-C56 HydrophobicContact CB-CB 4.21Å; C47-C56 WeakPolarHBondContact CB-SG 3.06Å; C47-C56 WeakPolarHBondContact SG-CB 3.45Å; C47-C56 CovalentContact SG-SG 2.05Å; C47-C56 PolarHBondContact SG-SG 2.63Å; S54-C56 PolarHBondContact O-N 3.13Å
57S72.7Confident72.7Confident73 Ų7383.5 Ų83.551%0.5147%0.471SS..EExtended strand (participates in β ladder)trans-114129.3176.1-66.30000109.6F46F46-S57 PolarHBondContact N-O 2.92Å; F46-S57 PolarHBondContact O-N 2.93Å
58L79.9Confident72Confident105 Ų10587.7 Ų87.755%0.5550%0.495SS..EExtended strand (participates in β ladder)trans-104.2125.1175-175.972.7000109.4A43 F44 L45 I60A43-L58 HydrophobicContact CB-CD1 4.33Å; F44-L58 CarbonylContact O-C 3.49Å; F44-L58 WeakPolarHBondContact O-CA 3.22Å; L45-L58 HydrophobicContact CB-CD1 3.99Å; L45-L58 HydrophobicContact CD1-CB 4.02Å; L45-L58 HydrophobicContact CD1-CD1 4.06Å; L58-I60 HydrophobicContact CD2-CD1 3.89Å; L58-I60 HydrophobicContact CD2-CG1 4.07Å; L58-I60 HydrophobicContact CG-CD1 4.43Å; L58-I60 HydrophobicContact CG-CG1 4.06Å
59I77.2Confident71.2Confident67 Ų6787.1 Ų87.134%0.34449%0.49SS..EExtended strand (participates in β ladder)trans-113.1124.7173.3-49.9-176000108.4A43 F44 F46 F61A43-I59 CarbonylContact C-O 3.54Å; A43-I59 WeakPolarHBondContact CA-O 3.06Å; F44-I59 PolarHBondContact N-O 3.34Å; F44-I59 PolarHBondContact O-N 2.83Å; F46-I59 HydrophobicContact CD2-CD1 4.2Å; F46-I59 HydrophobicContact CD2-CG1 4.23Å; F46-I59 HydrophobicContact CE2-CB 4.27Å; F46-I59 HydrophobicContact CE2-CD1 3.68Å; F46-I59 HydrophobicContact CE2-CG1 3.85Å; I59-F61 HydrophobicContact CB-CE2 4.14Å; I59-F61 HydrophobicContact CG2-CD2 3.96Å; I59-F61 HydrophobicContact CG2-CE1 4.35Å; I59-F61 HydrophobicContact CG2-CE2 3.26Å; I59-F61 HydrophobicContact CG2-CZ 3.5Å; I59-F61 VanDerWaalsContact CG2-CZ 3.5Å
60I78.5Confident70.1Confident100 Ų10092.9 Ų92.951%0.51350%0.498SS..EExtended strand (participates in β ladder)trans-116.4124.8178.1-53.1176000109F42 A43 L58 V62F42-I60 CarbonylContact O-C 3.48Å; F42-I60 VanDerWaalsContact O-CA 3.31Å; F42-I60 WeakPolarHBondContact O-CA 3.33Å; A43-I60 HydrophobicContact CB-CG1 4.22Å; L58-I60 HydrophobicContact CD2-CD1 3.89Å; L58-I60 HydrophobicContact CD2-CG1 4.07Å; L58-I60 HydrophobicContact CG-CD1 4.43Å; L58-I60 HydrophobicContact CG-CG1 4.06Å; I60-V62 HydrophobicContact CG2-CG2 4.23Å
61F77.3Confident69.3Low73 Ų7390.5 Ų90.532%0.3249%0.485SS..EExtended strand (participates in β ladder)trans-109.7129.2172.7-60.8-92.1000109.1F9 I11 S41 F42 F44 I59F9-F61 HydrophobicContact CE2-CZ 4.43Å; F9-F61 HydrophobicContact CZ-CZ 4.48Å; I11-F61 HydrophobicContact CD1-CE2 4.49Å; I11-F61 HydrophobicContact CD1-CZ 4.44Å; S41-F61 CarbonylContact C-O 3.56Å; S41-F61 VanDerWaalsContact CA-O 3.26Å; S41-F61 WeakPolarHBondContact CA-O 3.31Å; F42-F61 HydrophobicContact CB-CB 4.42Å; F42-F61 PolarHBondContact N-O 2.86Å; F42-F61 PolarHBondContact O-N 3.25Å; F44-F61 AromaticContact CD2-CD2 3.69Å; F44-F61 HydrophobicContact CD2-CD2 3.69Å; F44-F61 AromaticContact CD2-CE2 3.67Å; F44-F61 HydrophobicContact CD2-CE2 3.67Å; F44-F61 AromaticContact CE2-CD2 3.45Å; F44-F61 HydrophobicContact CE2-CD2 3.45Å; F44-F61 VanDerWaalsContact CE2-CD2 3.45Å; F44-F61 AromaticContact CE2-CE2 3.66Å; F44-F61 HydrophobicContact CE2-CE2 3.66Å; I59-F61 HydrophobicContact CB-CE2 4.14Å; I59-F61 HydrophobicContact CG2-CD2 3.96Å; I59-F61 HydrophobicContact CG2-CE1 4.35Å; I59-F61 HydrophobicContact CG2-CE2 3.26Å; I59-F61 HydrophobicContact CG2-CZ 3.5Å; I59-F61 VanDerWaalsContact CG2-CZ 3.5Å
62V76Confident68.1Low90 Ų9088.4 Ų88.455%0.54547%0.473SS..EExtended strand (participates in β ladder)trans-116.8126.3175.3-175.70000108.2V39 C40 I60V39-V62 HydrophobicContact CG1-CG1 3.55Å; C40-V62 WeakPolarHBondContact O-CA 3.4Å; I60-V62 HydrophobicContact CG2-CG2 4.23Å
63M75.2Confident66.6Low29 Ų2983.5 Ų83.514%0.14345%0.451CS..EExtended strand (participates in β ladder)trans-125.7147.1176.166.9169.5-44.900110.6C40 F42 V65 I71 F84C40-M63 HydrophobicContact CB-CG 3.96Å; C40-M63 HydrophobicContact CB-SD 4.47Å; C40-M63 PolarHBondContact N-O 2.8Å; C40-M63 PolarHBondContact O-N 2.81Å; F42-M63 HydrophobicContact CE2-CG 3.83Å; F42-M63 HydrophobicContact CE2-SD 3.58Å; F42-M63 VanDerWaalsContact CE2-SD 3.58Å; F42-M63 HydrophobicContact CZ-SD 4.15Å; M63-V65 HydrophobicContact CE-CG2 3.32Å; M63-V65 HydrophobicContact CG-CG2 3.67Å; M63-V65 HydrophobicContact SD-CG2 3.41Å; M63-V65 WeakPolarHBondContact SD-CG2 3.27Å; M63-I71 HydrophobicContact SD-CD1 4.35Å; M63-F84 HydrophobicContact CE-CB 4.31Å; M63-F84 HydrophobicContact CE-CD1 3.11Å; M63-F84 HydrophobicContact CE-CE1 3.52Å; M63-F84 HydrophobicContact CE-CG 3.85Å; M63-F84 HydrophobicContact CE-CZ 4.49Å; M63-F84 HydrophobicContact CG-CE1 4.41Å; M63-F84 HydrophobicContact SD-CD1 3.27Å; M63-F84 WeakPolarHBondContact SD-CD1 3.14Å; M63-F84 HydrophobicContact SD-CE1 3.06Å; M63-F84 WeakPolarHBondContact SD-CE1 3.38Å; M63-F84 HydrophobicContact SD-CG 4.46Å; M63-F84 HydrophobicContact SD-CZ 4.13Å
64Y71.2Confident65.2Low143 Ų14383.2 Ų83.256%0.56145%0.448SS*.EExtended strand (participates in β ladder)trans-92.4121.9167.2-74.3-95.5000108.8F28 V39F28-Y64 HydrophobicContact CD1-CE1 4.14Å; F28-Y64 HydrophobicContact CE1-CE1 4.46Å; V39-Y64 HydrophobicContact CG2-CD1 3.54Å; V39-Y64 HydrophobicContact CG2-CE1 3.24Å; V39-Y64 HydrophobicContact CG2-CG 4.34Å
65V67.4Low63.4Low7 Ų783 Ų834%0.04244%0.443CS..EExtended strand (participates in β ladder)trans-115.5114.7-177.5-177.20000106.7A38 C40 M63 S67 I71A38-V65 PolarHBondContact N-O 2.93Å; A38-V65 PolarHBondContact O-N 2.05Å; C40-V65 HydrophobicContact CB-CG2 4.22Å; M63-V65 HydrophobicContact CE-CG2 3.32Å; M63-V65 HydrophobicContact CG-CG2 3.67Å; M63-V65 HydrophobicContact SD-CG2 3.41Å; M63-V65 WeakPolarHBondContact SD-CG2 3.27Å; V65-S67 PolarHBondContact O-N 2.97Å; V65-I71 HydrophobicContact CB-CD1 4.41Å; V65-I71 HydrophobicContact CG1-CD1 4.24Å; V65-I71 HydrophobicContact CG1-CG1 4.34Å; V65-I71 HydrophobicContact CG2-CD1 3.65Å; V65-I71 HydrophobicContact CG2-CG1 4.37Å
66P65.9Low61.4Low46 Ų4686.9 Ų86.930%0.29946%0.456SS..EExtended strand (participates in β ladder)trans-59.6133.8167.724.2-29.7000108.2T68 S69P66-T68 PolarHBondContact O-N 3.21Å; P66-S69 WeakPolarHBondContact O-CB 3.35Å; P66-S69 PolarHBondContact O-N 3.18Å
67S59Low59.5Low66 Ų6691 Ų9146%0.46247%0.473SS..THydrogen-bonded Turntrans-55.1-13.1-171.146.50000115.9P36 V65 S69P36-S67 VanDerWaalsContact CB-OG 3.29Å; P36-S67 WeakPolarHBondContact CB-OG 3.45Å; P36-S67 VanDerWaalsContact CG-OG 3.24Å; P36-S67 WeakPolarHBondContact CG-OG 3.43Å; P36-S67 WeakPolarHBondContact O-CB 3.41Å; P36-S67 PolarHBondContact O-N 2.79Å; P36-S67 PolarHBondContact O-OG 3.33Å; V65-S67 PolarHBondContact O-N 2.97Å; S67-S69 VanDerWaalsContact C-N 3.27Å; S67-S69 PolarHBondContact O-N 2.95Å
68T58Low58.1Low120 Ų12093.4 Ų93.474%0.73649%0.485SS*.THydrogen-bonded Turntrans-74.2-14.1173.4520000113.8P66P66-T68 PolarHBondContact O-N 3.21Å
69S52.5Low56.2Low19 Ų1990.5 Ų90.513%0.13347%0.473CS..PPolyproline II helixtrans-95.6123.7-173.9-64.70000111.9P66 S67 R85P66-S69 WeakPolarHBondContact O-CB 3.35Å; P66-S69 PolarHBondContact O-N 3.18Å; S67-S69 VanDerWaalsContact C-N 3.27Å; S67-S69 PolarHBondContact O-N 2.95Å; S69-R85 WeakPolarHBondContact CB-O 3.42Å; S69-R85 PolarHBondContact OG-O 2.93Å; S69-R85 VanDerWaalsContact OG-O 3.13Å
70R47.2Very low54.6Low225 Ų22587.9 Ų87.985%0.84946%0.46SS*.PPolyproline II helixtrans-82.5131.4174.4-65-178.4-178.8177.1-0.1110.2
71I49.2Very low52.8Low53 Ų5388.6 Ų88.627%0.27246%0.457SS..EExtended strand (participates in β ladder)trans-100.5125172.5-57.4172.9000107.9C40 F42 M63 V65C40-I71 HydrophobicContact CB-CD1 3.87Å; C40-I71 WeakPolarHBondContact SG-CD1 3.21Å; F42-I71 HydrophobicContact CE1-CG2 4.14Å; F42-I71 HydrophobicContact CZ-CD1 4.2Å; F42-I71 HydrophobicContact CZ-CG2 3.84Å; M63-I71 HydrophobicContact SD-CD1 4.35Å; V65-I71 HydrophobicContact CB-CD1 4.41Å; V65-I71 HydrophobicContact CG1-CD1 4.24Å; V65-I71 HydrophobicContact CG1-CG1 4.34Å; V65-I71 HydrophobicContact CG2-CD1 3.65Å; V65-I71 HydrophobicContact CG2-CG1 4.37Å
72F46.4Very low51.1Low147 Ų14785.6 Ų85.665%0.64545%0.445SS*.EExtended strand (participates in β ladder)trans-113.3116.9174.9-165.6-104.3000108.5C74F72-C74 HydrophobicContact CD1-CB 4.11Å; F72-C74 HydrophobicContact CE1-CB 3.68Å
73S46.1Very low49.6Very low52 Ų5286.3 Ų86.336%0.36444%0.441SS..EExtended strand (participates in β ladder)trans-104.2114.5171-176.30000108.2F21F21-S73 WeakPolarHBondContact CE1-OG 3.34Å; F21-S73 WeakPolarHBondContact CZ-OG 3.29Å
74C37.7Very low48.1Very low73 Ų7387 Ų8749%0.49344%0.443SS..EExtended strand (participates in β ladder)trans-119.2109.5172.2-1670000108.8F72 K76F72-C74 HydrophobicContact CD1-CB 4.11Å; F72-C74 HydrophobicContact CE1-CB 3.68Å; C74-K76 PolarHBondContact O-N 3.26Å
75V37.8Very low46.2Very low91 Ų9189.9 Ų89.955%0.55245%0.453SS*.EExtended strand (participates in β ladder)trans-84.5100.1174.3-177.70000107.4F21F21-V75 HydrophobicContact CD1-CG2 4.4Å
76K35Very low44.8Very low175 Ų17593.9 Ų93.976%0.76147%0.47SS*.EExtended strand (participates in β ladder)trans-108.2133.8162.9-155.8175.8-176.6-178.90108C74 T78 S79C74-K76 PolarHBondContact O-N 3.26Å; K76-T78 PolarHBondContact O-N 3.49Å; K76-S79 PolarHBondContact O-N 2.84Å
77N38.4Very low43.5Very low158 Ų15896.3 Ų96.385%0.84550%0.503SS*.THydrogen-bonded Turntrans-56.316.7-152.5-13318.1000119.9
78T44.9Very low42.7Very low123 Ų12397.8 Ų97.876%0.75551%0.505SS*.THydrogen-bonded Turntrans-153.8-4.1176.347.70000115.1K76K76-T78 PolarHBondContact O-N 3.49Å
79S39Very low41.9Very low44 Ų4496.6 Ų96.631%0.30849%0.492SS..EExtended strand (participates in β ladder)trans-151105.3-178.6-62.50000109K76 Y81K76-S79 PolarHBondContact O-N 2.84Å; S79-Y81 WeakPolarHBondContact O-CD2 3.24Å; S79-Y81 PolarHBondContact O-N 3.07Å
80L44Very low41.3Very low11 Ų11100.9 Ų100.96%0.05851%0.512CS..EExtended strand (participates in β ladder)trans-78.6110.4175.6-167.9126.8000108.1F21 F44 V82F21-L80 HydrophobicContact CD2-CD1 4.19Å; F21-L80 HydrophobicContact CG-CD1 4.42Å; F44-L80 HydrophobicContact CD1-CD1 4.16Å; F44-L80 HydrophobicContact CD1-CD2 4.36Å; F44-L80 HydrophobicContact CE1-CD1 3.48Å; F44-L80 VanDerWaalsContact CE1-CD1 3.48Å; F44-L80 HydrophobicContact CE1-CD2 3.24Å; F44-L80 HydrophobicContact CE1-CG 3.93Å; F44-L80 HydrophobicContact CZ-CD1 4.47Å; F44-L80 HydrophobicContact CZ-CD2 3.46Å; F44-L80 VanDerWaalsContact CZ-CD2 3.46Å; L80-V82 HydrophobicContact CD2-CG2 3.42Å; L80-V82 VanDerWaalsContact CD2-CG2 3.42Å
81Y39.7Very low40.9Very low116 Ų11693.6 Ų93.646%0.45549%0.493SS..EExtended strand (participates in β ladder)trans-102.7110.1173.5-66.7-84.8000108.8S79 F83S79-Y81 WeakPolarHBondContact O-CD2 3.24Å; S79-Y81 PolarHBondContact O-N 3.07Å; Y81-F83 HydrophobicContact CD1-CZ 4.25Å; Y81-F83 HydrophobicContact CG-CE2 4.15Å; Y81-F83 HydrophobicContact CG-CZ 4.24Å
82V42.7Very low40.4Very low10 Ų1096.2 Ų96.26%0.06151%0.506CS..EExtended strand (participates in β ladder)trans-92110.1167.6-170.20000107.7F9 F44 L80 F84F9-V82 HydrophobicContact CZ-CB 4.46Å; F9-V82 HydrophobicContact CZ-CG2 4.27Å; F44-V82 HydrophobicContact CZ-CG2 4.35Å; L80-V82 HydrophobicContact CD2-CG2 3.42Å; L80-V82 VanDerWaalsContact CD2-CG2 3.42Å; V82-F84 HydrophobicContact CB-CZ 4.21Å; V82-F84 HydrophobicContact CG1-CD1 4.07Å; V82-F84 HydrophobicContact CG1-CE1 3.37Å; V82-F84 HydrophobicContact CG1-CE2 4.17Å; V82-F84 HydrophobicContact CG1-CZ 3.46Å; V82-F84 VanDerWaalsContact CG1-CZ 3.46Å
83F43.6Very low40Very low105 Ų10592.8 Ų92.846%0.46150%0.497SS..EExtended strand (participates in β ladder)trans-95.7116.4173.9-66.7-82.6000109.8Y81Y81-F83 HydrophobicContact CD1-CZ 4.25Å; Y81-F83 HydrophobicContact CG-CE2 4.15Å; Y81-F83 HydrophobicContact CG-CZ 4.24Å
84F44.2Very low39.6Very low44 Ų4495.7 Ų95.719%0.19351%0.507CS..EExtended strand (participates in β ladder)trans-91.6111.5167.6-51.2-62.8000108.6F9 F42 M63 V82 F86F9-F84 AromaticContact CE1-CE2 3.99Å; F9-F84 HydrophobicContact CE1-CE2 3.99Å; F9-F84 HydrophobicContact CE1-CZ 4.26Å; F42-F84 HydrophobicContact CE2-CE1 4.28Å; M63-F84 HydrophobicContact CE-CB 4.31Å; M63-F84 HydrophobicContact CE-CD1 3.11Å; M63-F84 HydrophobicContact CE-CE1 3.52Å; M63-F84 HydrophobicContact CE-CG 3.85Å; M63-F84 HydrophobicContact CE-CZ 4.49Å; M63-F84 HydrophobicContact CG-CE1 4.41Å; M63-F84 HydrophobicContact SD-CD1 3.27Å; M63-F84 WeakPolarHBondContact SD-CD1 3.14Å; M63-F84 HydrophobicContact SD-CE1 3.06Å; M63-F84 WeakPolarHBondContact SD-CE1 3.38Å; M63-F84 HydrophobicContact SD-CG 4.46Å; M63-F84 HydrophobicContact SD-CZ 4.13Å; V82-F84 HydrophobicContact CB-CZ 4.21Å; V82-F84 HydrophobicContact CG1-CD1 4.07Å; V82-F84 HydrophobicContact CG1-CE1 3.37Å; V82-F84 HydrophobicContact CG1-CE2 4.17Å; V82-F84 HydrophobicContact CG1-CZ 3.46Å; V82-F84 VanDerWaalsContact CG1-CZ 3.46Å; F84-F86 HydrophobicContact CB-CD2 4.23Å; F84-F86 HydrophobicContact CB-CE2 3.5Å; F84-F86 VanDerWaalsContact CB-CE2 3.5Å; F84-F86 HydrophobicContact CB-CZ 3.95Å; F84-F86 HydrophobicContact CG-CE2 4.49Å
85R31Very low39.7Very low203 Ų20397.5 Ų97.577%0.76651%0.508SS*.  trans-95.5115.1170.8-167.2178.5-178.3-175.60.6108.8S69S69-R85 WeakPolarHBondContact CB-O 3.42Å; S69-R85 PolarHBondContact OG-O 2.93Å; S69-R85 VanDerWaalsContact OG-O 3.13Å
86F37.9Very low39.9Very low91 Ų9198 Ų9840%0.39950%0.504SS..  trans-97.8121.8173-62.2-86.4000109.4R5 F84R5-F86 PolarHBondContact NH1-O 2.73Å; F84-F86 HydrophobicContact CB-CD2 4.23Å; F84-F86 HydrophobicContact CB-CE2 3.5Å; F84-F86 VanDerWaalsContact CB-CE2 3.5Å; F84-F86 HydrophobicContact CB-CZ 3.95Å; F84-F86 HydrophobicContact CG-CE2 4.49Å
87G38.5Very low40.3Very low96 Ų9691 Ų9199%0.9948%0.481SS*.  trans-72.50174.100000112.4R5R5-G87 VanDerWaalsContact CZ-OXT 3.25Å; R5-G87 PolarHBondContact NH1-OXT 3.45Å; R5-G87 PolarHBondContact NH2-O 2.95Å; R5-G87 PolarHBondContact NH2-OXT 3.26Å

Retrieved 87 of 87 residues in 24.7 ms (Link to these results)