A0A5K4F6P8_SCHMA Loading...

UPF0506 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6P8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 98 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
1M52.9Low64.4Low247 Ų247126.6 Ų126.6100%1.21763%0.629SS**  0100.40-71.3154.2119.200107.7
2S58Low64.5Low86 Ų86124.1 Ų124.160%0.60162%0.618SS**  trans-83.9126.4-169.8-173.10000110.5Y4 M5S2-Y4 PolarHBondContact O-N 2.92Å; S2-M5 PolarHBondContact O-N 3.39Å
3K65.4Low64.5Low170 Ų170124.6 Ų124.674%0.73962%0.615SS**Hα-helixtrans-51.2-21.8178.9-60178.677.8166.20112.7M5 Q6 F7K3-M5 PolarHBondContact O-N 2.9Å; K3-Q6 PolarHBondContact O-N 2.99Å; K3-F7 PolarHBondContact O-N 3.36Å
4Y68.3Low64.5Low172 Ų172122.6 Ų122.668%0.67561%0.606SS**Hα-helixtrans-60.2-39.5175.6-154-105.8000113.4S2 Q6 F7 I8S2-Y4 PolarHBondContact O-N 2.92Å; Y4-Q6 VanDerWaalsContact C-N 3.3Å; Y4-Q6 PolarHBondContact O-N 3.01Å; Y4-F7 PolarHBondContact O-N 3.39Å; Y4-I8 HydrophobicContact CD1-CD1 3.54Å; Y4-I8 HydrophobicContact CD1-CG1 4.37Å; Y4-I8 HydrophobicContact CE1-CD1 3.54Å; Y4-I8 HydrophobicContact CE1-CG1 4.29Å; Y4-I8 WeakPolarHBondContact O-CG1 3.19Å; Y4-I8 PolarHBondContact O-N 3.36Å
5M61.9Low64.5Low150 Ų150123 Ų12374%0.73960%0.603SS**Hα-helixtrans-68.3-29.8178.4-76.5-168155.400112.7S2 K3 C9S2-M5 PolarHBondContact O-N 3.39Å; K3-M5 PolarHBondContact O-N 2.9Å; M5-C9 PolarHBondContact O-N 2.9Å
6Q68Low64.2Low136 Ų136122.8 Ų122.864%0.63660%0.604SS**Hα-helixtrans-70.3-40.7176.8-172.7175.7-4200111.6K3 Y4 L10K3-Q6 PolarHBondContact O-N 2.99Å; Y4-Q6 VanDerWaalsContact C-N 3.3Å; Y4-Q6 PolarHBondContact O-N 3.01Å; Q6-L10 HydrophobicContact CG-CD1 4.04Å; Q6-L10 PolarHBondContact O-N 3.19Å; Q6-L10 VanDerWaalsContact O-N 3.16Å
7F64.8Low64Low151 Ų151123.9 Ų123.966%0.66261%0.607SS**Hα-helixtrans-67.8-39.5179-93.5-88.1000113K3 Y4 L10 S11K3-F7 PolarHBondContact O-N 3.36Å; Y4-F7 PolarHBondContact O-N 3.39Å; F7-L10 PolarHBondContact O-N 3.04Å; F7-S11 PolarHBondContact O-N 3.32Å; F7-S11 PolarHBondContact O-OG 3.48Å
8I72.6Confident63.9Low73 Ų73123.8 Ų123.837%0.37461%0.608SS.*Hα-helixtrans-63-45.9178.6-63.9164.6000110.3Y4 L10 S11 L12Y4-I8 HydrophobicContact CD1-CD1 3.54Å; Y4-I8 HydrophobicContact CD1-CG1 4.37Å; Y4-I8 HydrophobicContact CE1-CD1 3.54Å; Y4-I8 HydrophobicContact CE1-CG1 4.29Å; Y4-I8 WeakPolarHBondContact O-CG1 3.19Å; Y4-I8 PolarHBondContact O-N 3.36Å; I8-L10 PolarHBondContact O-N 3.09Å; I8-S11 PolarHBondContact O-N 3.14Å; I8-S11 PolarHBondContact O-OG 3.22Å; I8-L12 HydrophobicContact CG2-CD1 3.98Å; I8-L12 HydrophobicContact CG2-CG 4.49Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.45Å
9C64Low63.7Low69 Ų69126.3 Ų126.347%0.46662%0.618SS.*Hα-helixtrans-59.6-49.6176.2-75.30000112M5 S11 L12 F13M5-C9 PolarHBondContact O-N 2.9Å; C9-S11 VanDerWaalsContact C-N 3.3Å; C9-S11 PolarHBondContact O-N 2.79Å; C9-L12 PolarHBondContact O-N 2.9Å; C9-L12 VanDerWaalsContact O-N 3.16Å; C9-F13 WeakPolarHBondContact O-CD2 3.47Å; C9-F13 PolarHBondContact O-N 3.39Å
10L68Low63.3Low94 Ų94122.4 Ų122.449%0.49261%0.612SS.*Hα-helixtrans-58.1-41.2178.4-93.8143.8000112.4Q6 F7 I8 F13 I14Q6-L10 HydrophobicContact CG-CD1 4.04Å; Q6-L10 PolarHBondContact O-N 3.19Å; Q6-L10 VanDerWaalsContact O-N 3.16Å; F7-L10 PolarHBondContact O-N 3.04Å; I8-L10 PolarHBondContact O-N 3.09Å; L10-F13 PolarHBondContact O-N 3.12Å; L10-I14 WeakPolarHBondContact O-CD1 3.35Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 3.04Å
11S64.4Low62.8Low45 Ų45122.9 Ų122.932%0.31562%0.616SS.*Hα-helixtrans-64.3-43.6176.266.90000112.2F7 I8 C9 F13 I14 F15F7-S11 PolarHBondContact O-N 3.32Å; F7-S11 PolarHBondContact O-OG 3.48Å; I8-S11 PolarHBondContact O-N 3.14Å; I8-S11 PolarHBondContact O-OG 3.22Å; C9-S11 VanDerWaalsContact C-N 3.3Å; C9-S11 PolarHBondContact O-N 2.79Å; S11-F13 VanDerWaalsContact C-N 3.35Å; S11-F13 PolarHBondContact O-N 3.18Å; S11-I14 PolarHBondContact O-N 2.6Å; S11-I14 VanDerWaalsContact O-N 3.12Å; S11-F15 WeakPolarHBondContact O-CD2 3.02Å; S11-F15 PolarHBondContact O-N 3.32Å
12L65.9Low62.8Low96 Ų96115.8 Ų115.850%0.50359%0.589SS.*Hα-helixtrans-63.1-40.4179.4-71.4169000111.8I8 C9 I14 F15 I16I8-L12 HydrophobicContact CG2-CD1 3.98Å; I8-L12 HydrophobicContact CG2-CG 4.49Å; I8-L12 WeakPolarHBondContact O-CG 3.45Å; I8-L12 PolarHBondContact O-N 3.45Å; C9-L12 PolarHBondContact O-N 2.9Å; C9-L12 VanDerWaalsContact O-N 3.16Å; L12-I14 VanDerWaalsContact C-N 3.32Å; L12-I14 PolarHBondContact O-N 2.91Å; L12-F15 PolarHBondContact O-N 3.16Å; L12-I16 WeakPolarHBondContact O-CD1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.48Å; L12-I16 PolarHBondContact O-N 3.32Å
13F64.2Low62.7Low131 Ų131119.9 Ų119.958%0.57560%0.598SS**Hα-helixtrans-60.2-42.1173.4-81.7-74.9000112C9 L10 S11 I16 H17C9-F13 WeakPolarHBondContact O-CD2 3.47Å; C9-F13 PolarHBondContact O-N 3.39Å; L10-F13 PolarHBondContact O-N 3.12Å; S11-F13 VanDerWaalsContact C-N 3.35Å; S11-F13 PolarHBondContact O-N 3.18Å; F13-I16 PolarHBondContact O-N 3.37Å; F13-H17 PolarHBondContact O-CD2 3.01Å; F13-H17 PolarHBondContact O-N 2.03Å; F13-H17 VanDerWaalsContact O-N 3.14Å
14I65.3Low62.2Low97 Ų97119 Ų11950%0.49760%0.6SS.*Hα-helixtrans-66.8-44.1179.3-63.4163.2000110.9L10 S11 L12 I16 H17 I18L10-I14 WeakPolarHBondContact O-CD1 3.35Å; L10-I14 VanDerWaalsContact O-CG1 3.28Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 3.04Å; S11-I14 PolarHBondContact O-N 2.6Å; S11-I14 VanDerWaalsContact O-N 3.12Å; L12-I14 VanDerWaalsContact C-N 3.32Å; L12-I14 PolarHBondContact O-N 2.91Å; I14-I16 PolarHBondContact O-N 2.96Å; I14-H17 PolarHBondContact O-N 3.47Å; I14-I18 HydrophobicContact CG2-CD1 4.35Å; I14-I18 HydrophobicContact CG2-CG1 3.95Å; I14-I18 WeakPolarHBondContact O-CG1 3.01Å; I14-I18 PolarHBondContact O-N 3.48Å
15F63.8Low61.4Low128 Ų128114.8 Ų114.856%0.56160%0.601SS**Hα-helixtrans-62.4-41.4177.5-73.8-69.6000112.4S11 L12 H17 I18 E19S11-F15 WeakPolarHBondContact O-CD2 3.02Å; S11-F15 PolarHBondContact O-N 3.32Å; L12-F15 PolarHBondContact O-N 3.16Å; F15-H17 VanDerWaalsContact C-N 3.26Å; F15-H17 PolarHBondContact O-N 2.95Å; F15-I18 PolarHBondContact O-N 3.15Å; F15-E19 PolarHBondContact O-N 3.43Å
16I60.1Low61.2Low119 Ų119114 Ų11461%0.6160%0.595SS**Hα-helixtrans-62.1-34.4176.3-64.6163.1000111.4L12 F13 I14L12-I16 WeakPolarHBondContact O-CD1 3.25Å; L12-I16 WeakPolarHBondContact O-CG1 3.48Å; L12-I16 PolarHBondContact O-N 3.32Å; F13-I16 PolarHBondContact O-N 3.37Å; I14-I16 PolarHBondContact O-N 2.96Å
17H61.4Low60.6Low143 Ų143118 Ų11866%0.66261%0.605SS**Hα-helixtrans-81.5-27.5179.7-74-56.8000114.3F13 I14 F15F13-H17 PolarHBondContact O-CD2 3.01Å; F13-H17 PolarHBondContact O-N 2.03Å; F13-H17 VanDerWaalsContact O-N 3.14Å; I14-H17 PolarHBondContact O-N 3.47Å; F15-H17 VanDerWaalsContact C-N 3.26Å; F15-H17 PolarHBondContact O-N 2.95Å
18I61.6Low60.5Low122 Ų122117.7 Ų117.763%0.62660%0.599SS**Hα-helixtrans-78.1-37.1-175.8-60.9-98000111.6I14 F15I14-I18 HydrophobicContact CG2-CD1 4.35Å; I14-I18 HydrophobicContact CG2-CG1 3.95Å; I14-I18 WeakPolarHBondContact O-CG1 3.01Å; I14-I18 PolarHBondContact O-N 3.48Å; F15-I18 PolarHBondContact O-N 3.15Å
19E60.3Low60.9Low170 Ų170124.6 Ų124.679%0.79462%0.62SS**SBendtrans-89.3-4.2-178.5-65.4-17486.800113.4F15 L21F15-E19 PolarHBondContact O-N 3.43Å; E19-L21 VanDerWaalsContact C-N 3.27Å; E19-L21 PolarHBondContact O-N 3.24Å
20G55Low62.1Low49 Ų49123.9 Ų123.951%0.50562%0.616SS.*  trans-85.440178.900000114.5P22G20-P22 WeakPolarHBondContact O-CD 3.1Å
21L52.2Low63.2Low133 Ų133120.2 Ų120.270%0.69660%0.598SS**  trans-96.878.4162.6-102.6107.7000109.9E19 E23E19-L21 VanDerWaalsContact C-N 3.27Å; E19-L21 PolarHBondContact O-N 3.24Å; L21-E23 PolarHBondContact O-N 2.75Å
22P54.4Low64.5Low97 Ų97122.1 Ų122.163%0.6361%0.609SS**  trans-70.6118.5159.731.6-29.9000108.2G20G20-P22 WeakPolarHBondContact O-CD 3.1Å
23E54.3Low65.9Low172 Ų172121.9 Ų121.980%0.80461%0.608SS**  trans59.762.1140.9-58.8174.880.800118.5L21 A25L21-E23 PolarHBondContact O-N 2.75Å; E23-A25 VanDerWaalsContact C-N 3.28Å
24I55.1Low67.3Low153 Ų153118.4 Ų118.479%0.78561%0.608SS**  trans-87.63.2154.860.4162.8000113.5E26I24-E26 PolarHBondContact O-N 2.02Å
25A53.1Low68.6Low83 Ų83114.6 Ų114.669%0.68659%0.593SS**  trans-7864.3154.200000107.4E23 R27E23-A25 VanDerWaalsContact C-N 3.28Å; A25-R27 PolarHBondContact O-N 3.36Å
26E56.8Low70Confident134 Ų134113.4 Ų113.463%0.62659%0.586SS**  trans-53.989.3149.3-172.6-166.8161.600103.6I24 R28I24-E26 PolarHBondContact O-N 2.02Å; E26-R28 PolarHBondContact O-N 3.18Å
27R54.6Low71.6Confident220 Ų220107.7 Ų107.783%0.8356%0.557SS**  trans-57.798.4170-113-144.4-91-118.62.4101.5A25 R29A25-R27 PolarHBondContact O-N 3.36Å; R27-R29 WeakPolarHBondContact O-CG 3.34Å; R27-R29 PolarHBondContact O-N 3.15Å
28R62.9Low73Confident143 Ų143102.3 Ų102.354%0.5453%0.532SS..  trans-57.592.5-177.7-64.9-171.3-160.9166.15.7105.3E26 C30E26-R28 PolarHBondContact O-N 3.18Å; R28-C30 PolarHBondContact O-N 3.15Å; R28-C30 VanDerWaalsContact O-N 3.13Å
29R80.9Confident74Confident219 Ų219100.7 Ų100.783%0.82652%0.518SS*.PPolyproline II helixtrans-69.8119.5-176.7-75.6-175.7-170.2164.94.3103.1R27R27-R29 WeakPolarHBondContact O-CG 3.34Å; R27-R29 PolarHBondContact O-N 3.15Å
30C89.3Confident75.2Confident54 Ų5494.2 Ų94.237%0.36549%0.492SS..PPolyproline II helixtrans-59.2148.316763.10000108R28 P44 C46R28-C30 PolarHBondContact O-N 3.15Å; R28-C30 VanDerWaalsContact O-N 3.13Å; C30-P44 CarbonylContact C-O 3.37Å; C30-P44 WeakPolarHBondContact CA-O 3.26Å; C30-P44 HydrophobicContact CB-CG 4.35Å; C30-P44 WeakPolarHBondContact CB-O 2.77Å; C30-C46 VanDerWaalsContact CA-SG 3.59Å; C30-C46 HydrophobicContact CB-CB 3.86Å; C30-C46 WeakPolarHBondContact CB-SG 3.42Å; C30-C46 PolarHBondContact O-SG 3Å; C30-C46 WeakPolarHBondContact SG-CA 3.37Å; C30-C46 WeakPolarHBondContact SG-CB 2.87Å; C30-C46 CovalentContact SG-SG 2.03Å; C30-C46 PolarHBondContact SG-SG 3.43Å
31S90.9Very high76.6Confident16 Ų1698.2 Ų98.211%0.11250%0.5CS..BIsolated β-bridgetrans-83130.1179.9-164.20000109.5G35 Y36 P44 C46S31-G35 VanDerWaalsContact OG-CA 3.29Å; S31-G35 WeakPolarHBondContact OG-CA 3.46Å; S31-Y36 WeakPolarHBondContact CB-O 3.04Å; S31-Y36 PolarHBondContact OG-N 3.28Å; S31-Y36 VanDerWaalsContact OG-N 3.17Å; S31-Y36 PolarHBondContact OG-O 2.86Å; S31-P44 PolarHBondContact N-O 2.03Å; S31-C46 PolarHBondContact O-N 2.76Å; S31-C46 PolarHBondContact O-SG 2.03Å; S31-C46 VanDerWaalsContact O-SG 3.42Å
32P93Very high78.1Confident85 Ų8598 Ų9855%0.55249%0.494SS*.PPolyproline II helixtrans-65.6169.7178.429.7-35.4000111G34 G35 C61P32-G34 PolarHBondContact O-N 3.06Å; P32-G35 WeakPolarHBondContact O-CA 3.34Å; P32-G35 PolarHBondContact O-N 3.24Å; P32-C61 WeakPolarHBondContact O-CB 3.45Å
33L94.1Very high79.7Confident92 Ų9298.5 Ų98.548%0.48248%0.484SS..THydrogen-bonded Turntrans-56.2131.4173.3-169.375.5000110.7G35 K63L33-G35 PolarHBondContact O-N 3.3Å; L33-K63 HydrophobicContact CD1-CG 3.68Å; L33-K63 HydrophobicContact CD2-CD 4.43Å; L33-K63 HydrophobicContact CD2-CG 4Å
34G93.3Very high81.4Confident57 Ų5792.6 Ų92.659%0.58846%0.461SS*.THydrogen-bonded Turntrans80.3-4.8-17300000114.3P32 T60 C61P32-G34 PolarHBondContact O-N 3.06Å; G34-T60 WeakPolarHBondContact O-CG2 3.4Å; G34-C61 PolarHBondContact N-O 2.8Å
35G93.3Very high83.1Confident17 Ų1786.4 Ų86.418%0.17543%0.431CS..  trans-78.6166.3175.200000113S31 P32 L33 T60 C61S31-G35 VanDerWaalsContact OG-CA 3.29Å; S31-G35 WeakPolarHBondContact OG-CA 3.46Å; P32-G35 WeakPolarHBondContact O-CA 3.34Å; P32-G35 PolarHBondContact O-N 3.24Å; L33-G35 PolarHBondContact O-N 3.3Å; G35-T60 CarbonylContact O-C 3.56Å; G35-T60 WeakPolarHBondContact O-CA 3.45Å; G35-C61 PolarHBondContact O-N 3.33Å
36Y93.5Very high84.9Confident103 Ų10383.6 Ų83.640%0.40441%0.406SS..EExtended strand (participates in β ladder)trans-67.1142.4178.7172.6-97.1000112.4S31 D38 Y43 A57S31-Y36 WeakPolarHBondContact CB-O 3.04Å; S31-Y36 PolarHBondContact OG-N 3.28Å; S31-Y36 VanDerWaalsContact OG-N 3.17Å; S31-Y36 PolarHBondContact OG-O 2.86Å; Y36-D38 HydrophobicContact CE1-CB 4.38Å; Y36-Y43 HydrophobicContact CD1-CD1 4.09Å; Y36-Y43 HydrophobicContact CD1-CG 4.14Å; Y36-Y43 HydrophobicContact CE1-CD1 4.11Å; Y36-Y43 HydrophobicContact CE1-CD2 4Å; Y36-Y43 HydrophobicContact CE1-CE1 4.44Å; Y36-Y43 HydrophobicContact CE1-CE2 4.32Å; Y36-Y43 AromaticContact CE1-CG 3.87Å; Y36-Y43 HydrophobicContact CE1-CG 3.87Å; Y36-A57 PolarHBondContact OH-O 3.09Å
37C93.3Very high86.4Confident0 Ų086.4 Ų86.40%042%0.419CS..EExtended strand (participates in β ladder)trans-150.4158.2168.164.20000110C51 G59 T60C37-C51 VanDerWaalsContact C-SG 3.55Å; C37-C51 HydrophobicContact CB-CB 3.82Å; C37-C51 WeakPolarHBondContact CB-SG 3.31Å; C37-C51 WeakPolarHBondContact SG-CA 3.36Å; C37-C51 WeakPolarHBondContact SG-CB 3.33Å; C37-C51 CovalentContact SG-SG 2.03Å; C37-C51 PolarHBondContact SG-SG 3.03Å; C37-G59 PolarHBondContact N-O 2.85Å; C37-G59 CarbonylContact O-C 3.52Å; C37-G59 VanDerWaalsContact O-C 3.29Å; C37-G59 WeakPolarHBondContact O-CA 2.94Å; C37-G59 PolarHBondContact O-N 3.26Å; C37-T60 PolarHBondContact SG-N 2.03Å; C37-T60 VanDerWaalsContact SG-N 3.45Å
38D90.4Very high87.9Confident29 Ų2985.7 Ų85.716%0.15542%0.422CS..  trans-127.312.3-179.964.3-9.7000112.5Y36 S40 Y43 A57Y36-D38 HydrophobicContact CE1-CB 4.38Å; D38-S40 PolarHBondContact O-N 2.94Å; D38-S40 VanDerWaalsContact O-N 3.13Å; D38-S40 WeakPolarHBondContact OD1-CA 3.39Å; D38-S40 WeakPolarHBondContact OD1-CB 3.19Å; D38-S40 PolarHBondContact OD1-N 2.86Å; D38-S40 PolarHBondContact OD1-OG 3.36Å; D38-S40 WeakPolarHBondContact OD2-CB 3.18Å; D38-S40 PolarHBondContact OD2-OG 3.4Å; D38-Y43 VanDerWaalsContact OD2-CD2 3.31Å; D38-Y43 WeakPolarHBondContact OD2-CD2 3.41Å; D38-A57 HydrophobicContact CB-CB 4.25Å; D38-A57 WeakPolarHBondContact CB-O 3.01Å
39R84.2Confident89.3Confident88 Ų8879.9 Ų79.933%0.33240%0.403SS..SBendtrans63.84.8-172.8-124.6-179.7176.4162.98.8114.2C51 L53 G70 E76R39-C51 HydrophobicContact CG-CB 4.21Å; R39-C51 PolarHBondContact N-SG 3.45Å; R39-C51 VanDerWaalsContact N-SG 3.43Å; R39-L53 HydrophobicContact CB-CD1 4.12Å; R39-L53 HydrophobicContact CB-CD2 4.21Å; R39-L53 HydrophobicContact CB-CG 4.23Å; R39-L53 VanDerWaalsContact CD-CD1 3.49Å; R39-L53 HydrophobicContact CG-CD1 4.33Å; R39-L53 HydrophobicContact CG-CG 4.42Å; R39-G70 PolarHBondContact NH2-O 2.87Å; R39-E76 IonicContact NH2-OE2 3.58Å
40S85.5Confident89.9Confident35 Ų3570.3 Ų70.325%0.24537%0.369CS..SBendtrans-81.2170.5171.685.10000110.7D38 F42 Y43D38-S40 PolarHBondContact O-N 2.94Å; D38-S40 VanDerWaalsContact O-N 3.13Å; D38-S40 WeakPolarHBondContact OD1-CA 3.39Å; D38-S40 WeakPolarHBondContact OD1-CB 3.19Å; D38-S40 PolarHBondContact OD1-N 2.86Å; D38-S40 PolarHBondContact OD1-OG 3.36Å; D38-S40 WeakPolarHBondContact OD2-CB 3.18Å; D38-S40 PolarHBondContact OD2-OG 3.4Å; S40-F42 PolarHBondContact O-N 2.83Å; S40-F42 WeakPolarHBondContact OG-CB 3.03Å; S40-F42 WeakPolarHBondContact OG-CD2 3.47Å; S40-F42 PolarHBondContact OG-N 3.49Å; S40-Y43 PolarHBondContact OG-N 3.32Å
41I83Confident90.2Very high132 Ų13268.6 Ų68.668%0.67736%0.357SS*.SBendtrans-78.6-9.7174.8-52.2168.8000110.7
42F84.1Confident90.4Very high129 Ų12969.6 Ų69.657%0.56636%0.36SS*.SBendtrans-79.7-35.9179-58.2-75.4000111.6S40 P44S40-F42 PolarHBondContact O-N 2.83Å; S40-F42 WeakPolarHBondContact OG-CB 3.03Å; S40-F42 WeakPolarHBondContact OG-CD2 3.47Å; S40-F42 PolarHBondContact OG-N 3.49Å; F42-P44 VanDerWaalsContact O-CD 3.25Å; F42-P44 WeakPolarHBondContact O-CD 3.25Å
43Y87.4Confident90.4Very high108 Ų10867.9 Ų67.942%0.42435%0.346SS..SBendtrans-120.964.8178.5-55-83.3000111.7Y36 D38 S40Y36-Y43 HydrophobicContact CD1-CD1 4.09Å; Y36-Y43 HydrophobicContact CD1-CG 4.14Å; Y36-Y43 HydrophobicContact CE1-CD1 4.11Å; Y36-Y43 HydrophobicContact CE1-CD2 4Å; Y36-Y43 HydrophobicContact CE1-CE1 4.44Å; Y36-Y43 HydrophobicContact CE1-CE2 4.32Å; Y36-Y43 AromaticContact CE1-CG 3.87Å; Y36-Y43 HydrophobicContact CE1-CG 3.87Å; D38-Y43 VanDerWaalsContact OD2-CD2 3.31Å; D38-Y43 WeakPolarHBondContact OD2-CD2 3.41Å; S40-Y43 PolarHBondContact OG-N 3.32Å
44P90.1Very high90.2Very high48 Ų4868.8 Ų68.831%0.31235%0.347SS..PPolyproline II helixtrans-69.3145.7177.830.5-33.6000110.3C30 S31 F42C30-P44 CarbonylContact C-O 3.37Å; C30-P44 WeakPolarHBondContact CA-O 3.26Å; C30-P44 HydrophobicContact CB-CG 4.35Å; C30-P44 WeakPolarHBondContact CB-O 2.77Å; S31-P44 PolarHBondContact N-O 2.03Å; F42-P44 VanDerWaalsContact O-CD 3.25Å; F42-P44 WeakPolarHBondContact O-CD 3.25Å
45C91.9Very high90Very high22 Ų2268 Ų6815%0.14934%0.339CS..BIsolated β-bridgetrans-76.4145.7170.7-62.90000111.1S49 C61C45-S49 WeakPolarHBondContact CB-OG 3.13Å; C45-C61 WeakPolarHBondContact CA-SG 3.31Å; C45-C61 HydrophobicContact CB-CB 3.71Å; C45-C61 WeakPolarHBondContact CB-SG 2.97Å; C45-C61 WeakPolarHBondContact SG-CA 3.11Å; C45-C61 WeakPolarHBondContact SG-CB 3.33Å; C45-C61 CovalentContact SG-SG 2.03Å; C45-C61 PolarHBondContact SG-SG 2.76Å
46C91.4Very high89.6Confident24 Ų2477 Ų7716%0.16237%0.374CS..SBendtrans-72152.8177.8-66.60000112.2C30 S31 S49C30-C46 VanDerWaalsContact CA-SG 3.59Å; C30-C46 HydrophobicContact CB-CB 3.86Å; C30-C46 WeakPolarHBondContact CB-SG 3.42Å; C30-C46 PolarHBondContact O-SG 3Å; C30-C46 WeakPolarHBondContact SG-CA 3.37Å; C30-C46 WeakPolarHBondContact SG-CB 2.87Å; C30-C46 CovalentContact SG-SG 2.03Å; C30-C46 PolarHBondContact SG-SG 3.43Å; S31-C46 PolarHBondContact O-N 2.76Å; S31-C46 PolarHBondContact O-SG 2.03Å; S31-C46 VanDerWaalsContact O-SG 3.42Å; C46-S49 WeakPolarHBondContact O-CB 2.97Å; C46-S49 PolarHBondContact O-N 2.88Å; C46-S49 PolarHBondContact O-OG 3.14Å
47E87.1Confident89.2Confident194 Ų19474 Ų7491%0.90737%0.371SS*.THydrogen-bonded Turntrans58.8-140.9174.1-51.5-177.894.100113.3S49E47-S49 VanDerWaalsContact C-N 3.26Å; E47-S49 PolarHBondContact O-N 2.76Å
48K87.2Confident89.2Confident204 Ų20478.2 Ų78.289%0.88739%0.393SS*.THydrogen-bonded Turntrans-90.921.5176.4-62.4-178180177.70112.6
49S91.8Very high89.4Confident21 Ų2176.9 Ų76.915%0.14739%0.386CS..  trans-82.7159.3177.869.20000111.2C45 C46 E47 V62C45-S49 WeakPolarHBondContact CB-OG 3.13Å; C46-S49 WeakPolarHBondContact O-CB 2.97Å; C46-S49 PolarHBondContact O-N 2.88Å; C46-S49 PolarHBondContact O-OG 3.14Å; E47-S49 VanDerWaalsContact C-N 3.26Å; E47-S49 PolarHBondContact O-N 2.76Å; S49-V62 CarbonylContact C-O 3.29Å; S49-V62 WeakPolarHBondContact CA-O 3.02Å; S49-V62 VanDerWaalsContact CB-O 3.29Å; S49-V62 WeakPolarHBondContact CB-O 3.29Å
50V93.9Very high89.9Confident19 Ų1974.5 Ų74.512%0.11538%0.381CS..EExtended strand (participates in β ladder)trans-128.1146.1-169.8-62.50000110.5K52 C61 V62 L65 E76V50-K52 PolarHBondContact O-N 3.49Å; V50-C61 WeakPolarHBondContact O-CA 3.43Å; V50-V62 HydrophobicContact CG2-CG2 3.83Å; V50-V62 WeakPolarHBondContact CG2-O 2.97Å; V50-V62 PolarHBondContact N-O 2.83Å; V50-V62 PolarHBondContact O-N 3.42Å; V50-L65 HydrophobicContact CG2-CD2 4.1Å; V50-L65 HydrophobicContact CG2-CG 3.78Å; V50-E76 HydrophobicContact CB-CB 4.37Å; V50-E76 HydrophobicContact CB-CG 4.4Å; V50-E76 HydrophobicContact CG1-CB 3.93Å; V50-E76 HydrophobicContact CG1-CG 3.77Å
51C94.3Very high90.4Very high17 Ų1772.9 Ų72.912%0.11537%0.37CS..EExtended strand (participates in β ladder)trans-84.8111.8-176.9-174.50000111.3C37 R39 L53C37-C51 VanDerWaalsContact C-SG 3.55Å; C37-C51 HydrophobicContact CB-CB 3.82Å; C37-C51 WeakPolarHBondContact CB-SG 3.31Å; C37-C51 WeakPolarHBondContact SG-CA 3.36Å; C37-C51 WeakPolarHBondContact SG-CB 3.33Å; C37-C51 CovalentContact SG-SG 2.03Å; C37-C51 PolarHBondContact SG-SG 3.03Å; R39-C51 HydrophobicContact CG-CB 4.21Å; R39-C51 PolarHBondContact N-SG 3.45Å; R39-C51 VanDerWaalsContact N-SG 3.43Å; C51-L53 PolarHBondContact O-N 2.96Å
52K94.9Very high91Very high38 Ų3868.2 Ų68.217%0.16535%0.347CS..EExtended strand (participates in β ladder)trans-8799.3173.8-177.3179.8-177.5167.10109.7V50 H54 G59 T60 V62 L65 W69V50-K52 PolarHBondContact O-N 3.49Å; K52-H54 PolarHBondContact O-N 2.58Å; K52-G59 CarbonylContact O-C 3.53Å; K52-G59 WeakPolarHBondContact O-CA 3.36Å; K52-T60 VanDerWaalsContact CB-O 3.31Å; K52-T60 WeakPolarHBondContact CB-O 3.5Å; K52-T60 PolarHBondContact N-O 2.84Å; K52-T60 PolarHBondContact O-N 2.79Å; K52-V62 HydrophobicContact CB-CG1 4.03Å; K52-V62 HydrophobicContact CB-CG2 3.76Å; K52-V62 HydrophobicContact CD-CG1 3.93Å; K52-V62 HydrophobicContact CD-CG2 4.36Å; K52-L65 HydrophobicContact CB-CD2 3.8Å; K52-L65 HydrophobicContact CG-CD2 4.15Å; K52-W69 HydrophobicContact CD-CD2 4.36Å; K52-W69 HydrophobicContact CD-CE3 4.29Å; K52-W69 HydrophobicContact CD-CH2 4.26Å; K52-W69 HydrophobicContact CD-CZ2 4.34Å; K52-W69 HydrophobicContact CD-CZ3 4.21Å; K52-W69 HydrophobicContact CG-CD2 3.96Å; K52-W69 HydrophobicContact CG-CE3 3.49Å; K52-W69 VanDerWaalsContact CG-CE3 3.49Å; K52-W69 HydrophobicContact CG-CH2 4.05Å; K52-W69 HydrophobicContact CG-CZ2 4.47Å; K52-W69 HydrophobicContact CG-CZ3 3.52Å
53L93.4Very high91.6Very high49 Ų4969.8 Ų69.826%0.25735%0.354SS..EExtended strand (participates in β ladder)trans-73115.2178.3-76.7-180000112.1R39 C51 N58 W69R39-L53 HydrophobicContact CB-CD1 4.12Å; R39-L53 HydrophobicContact CB-CD2 4.21Å; R39-L53 HydrophobicContact CB-CG 4.23Å; R39-L53 VanDerWaalsContact CD-CD1 3.49Å; R39-L53 HydrophobicContact CG-CD1 4.33Å; R39-L53 HydrophobicContact CG-CG 4.42Å; C51-L53 PolarHBondContact O-N 2.96Å; L53-N58 CarbonylContact C-O 3.59Å; L53-N58 WeakPolarHBondContact CA-O 3.1Å; L53-W69 VanDerWaalsContact O-CZ3 3.25Å; L53-W69 WeakPolarHBondContact O-CZ3 3.29Å
54H91Very high91.9Very high110 Ų11066.9 Ų66.951%0.50935%0.349SS..EExtended strand (participates in β ladder)trans-82.9-16172.5-61.9-69.3000113K52 N58 T60 W69K52-H54 PolarHBondContact O-N 2.58Å; H54-N58 PolarHBondContact N-O 2.66Å; H54-T60 PolarHBondContact CD2-OG1 3.46Å; H54-T60 VanDerWaalsContact CD2-OG1 3.32Å; H54-T60 PolarHBondContact NE2-OG1 2.9Å; H54-W69 AromaticContact ND1-CH2 3.93Å
55G87.4Confident92.1Very high40 Ų4064.7 Ų64.741%0.41233%0.334SS..EExtended strand (participates in β ladder)trans-170.9-161.4178.700000111.8A57 N58G55-A57 PolarHBondContact O-N 2.9Å; G55-N58 PolarHBondContact N-O 3.17Å; G55-N58 VanDerWaalsContact N-O 3.14Å
56F87Confident92.2Very high207 Ų20768 Ų6891%0.90835%0.351SS*.THydrogen-bonded Turntrans-65.6117.5176.2-175.9-98.7000110.4N58F56-N58 PolarHBondContact O-N 3.13Å
57A85Confident92.3Very high41 Ų4169.9 Ų69.934%0.33936%0.361SS..THydrogen-bonded Turntrans51.926.417900000114.9Y36 D38 G55Y36-A57 PolarHBondContact OH-O 3.09Å; D38-A57 HydrophobicContact CB-CB 4.25Å; D38-A57 WeakPolarHBondContact CB-O 3.01Å; G55-A57 PolarHBondContact O-N 2.9Å
58N91.6Very high92.5Very high87 Ų8765.8 Ų65.847%0.46535%0.346SS..EExtended strand (participates in β ladder)trans-136.6122.9176.5-174.3-17.1000109.5L53 H54 G55 F56L53-N58 CarbonylContact C-O 3.59Å; L53-N58 WeakPolarHBondContact CA-O 3.1Å; H54-N58 PolarHBondContact N-O 2.66Å; G55-N58 PolarHBondContact N-O 3.17Å; G55-N58 VanDerWaalsContact N-O 3.14Å; F56-N58 PolarHBondContact O-N 3.13Å
59G95.4Very high92.7Very high1 Ų159.6 Ų59.61%0.0132%0.317CS..EExtended strand (participates in β ladder)trans-158.6175.5-176.200000113.1C37 K52C37-G59 PolarHBondContact N-O 2.85Å; C37-G59 CarbonylContact O-C 3.52Å; C37-G59 VanDerWaalsContact O-C 3.29Å; C37-G59 WeakPolarHBondContact O-CA 2.94Å; C37-G59 PolarHBondContact O-N 3.26Å; K52-G59 CarbonylContact O-C 3.53Å; K52-G59 WeakPolarHBondContact O-CA 3.36Å
60T95.5Very high92.8Very high39 Ų3960 Ų6024%0.23933%0.325CS..EExtended strand (participates in β ladder)trans-128138.7-178.6-47.70000110.2G34 G35 C37 K52 H54 V62G34-T60 WeakPolarHBondContact O-CG2 3.4Å; G35-T60 CarbonylContact O-C 3.56Å; G35-T60 WeakPolarHBondContact O-CA 3.45Å; C37-T60 PolarHBondContact SG-N 2.03Å; C37-T60 VanDerWaalsContact SG-N 3.45Å; K52-T60 VanDerWaalsContact CB-O 3.31Å; K52-T60 WeakPolarHBondContact CB-O 3.5Å; K52-T60 PolarHBondContact N-O 2.84Å; K52-T60 PolarHBondContact O-N 2.79Å; H54-T60 PolarHBondContact CD2-OG1 3.46Å; H54-T60 VanDerWaalsContact CD2-OG1 3.32Å; H54-T60 PolarHBondContact NE2-OG1 2.9Å; T60-V62 PolarHBondContact O-N 3.44Å
61C95.6Very high92.7Very high1 Ų159.2 Ų59.21%0.00732%0.32CS..EExtended strand (participates in β ladder)trans-71.8120.1174-64.10000110.9P32 G34 G35 C45 V50P32-C61 WeakPolarHBondContact O-CB 3.45Å; G34-C61 PolarHBondContact N-O 2.8Å; G35-C61 PolarHBondContact O-N 3.33Å; C45-C61 WeakPolarHBondContact CA-SG 3.31Å; C45-C61 HydrophobicContact CB-CB 3.71Å; C45-C61 WeakPolarHBondContact CB-SG 2.97Å; C45-C61 WeakPolarHBondContact SG-CA 3.11Å; C45-C61 WeakPolarHBondContact SG-CB 3.33Å; C45-C61 CovalentContact SG-SG 2.03Å; C45-C61 PolarHBondContact SG-SG 2.76Å; V50-C61 WeakPolarHBondContact O-CA 3.43Å
62V96Very high92.5Very high33 Ų3364.8 Ų64.820%0.235%0.348CS..EExtended strand (participates in β ladder)trans-125161.6178.7-61.10000110.3S49 V50 K52 T60 C64 L65S49-V62 CarbonylContact C-O 3.29Å; S49-V62 WeakPolarHBondContact CA-O 3.02Å; S49-V62 VanDerWaalsContact CB-O 3.29Å; S49-V62 WeakPolarHBondContact CB-O 3.29Å; V50-V62 HydrophobicContact CG2-CG2 3.83Å; V50-V62 WeakPolarHBondContact CG2-O 2.97Å; V50-V62 PolarHBondContact N-O 2.83Å; V50-V62 PolarHBondContact O-N 3.42Å; K52-V62 HydrophobicContact CB-CG1 4.03Å; K52-V62 HydrophobicContact CB-CG2 3.76Å; K52-V62 HydrophobicContact CD-CG1 3.93Å; K52-V62 HydrophobicContact CD-CG2 4.36Å; T60-V62 PolarHBondContact O-N 3.44Å; V62-C64 VanDerWaalsContact C-N 3.35Å; V62-C64 VanDerWaalsContact CG2-O 3.29Å; V62-C64 WeakPolarHBondContact CG2-O 3.43Å; V62-C64 PolarHBondContact O-N 3.11Å; V62-L65 HydrophobicContact CG2-CD2 4.08Å
63K95.3Very high92.3Very high163 Ų16365.5 Ų65.571%0.70936%0.357SS*.SBendtrans-66.8-38.8-179.5-68.4-174.2179.2178.60112.3L33L33-K63 HydrophobicContact CD1-CG 3.68Å; L33-K63 HydrophobicContact CD2-CD 4.43Å; L33-K63 HydrophobicContact CD2-CG 4Å
64C94.7Very high92.3Very high46 Ų4666.9 Ų66.931%0.31137%0.365SS..SBendtrans-156.3157.8176.959.60000109.3V62 E76 C78V62-C64 VanDerWaalsContact C-N 3.35Å; V62-C64 VanDerWaalsContact CG2-O 3.29Å; V62-C64 WeakPolarHBondContact CG2-O 3.43Å; V62-C64 PolarHBondContact O-N 3.11Å; C64-E76 CarbonylContact C-O 3.43Å; C64-E76 WeakPolarHBondContact CA-O 3.45Å; C64-C78 HydrophobicContact CB-CB 3.91Å; C64-C78 WeakPolarHBondContact CB-SG 3.42Å; C64-C78 VanDerWaalsContact SG-CA 3.6Å; C64-C78 WeakPolarHBondContact SG-CB 3.38Å; C64-C78 CovalentContact SG-SG 2.03Å; C64-C78 PolarHBondContact SG-SG 3.44Å
65L95.1Very high92.3Very high2 Ų266.5 Ų66.51%0.0137%0.374CS..BIsolated β-bridgetrans-86.3132.6178-64.5176.8000110.3V50 K52 V62 W69 G70 C71 E76 C77 C78 C87V50-L65 HydrophobicContact CG2-CD2 4.1Å; V50-L65 HydrophobicContact CG2-CG 3.78Å; K52-L65 HydrophobicContact CB-CD2 3.8Å; K52-L65 HydrophobicContact CG-CD2 4.15Å; V62-L65 HydrophobicContact CG2-CD2 4.08Å; L65-W69 HydrophobicContact CB-CB 3.94Å; L65-W69 HydrophobicContact CD1-CB 4.47Å; L65-W69 HydrophobicContact CD2-CB 4.22Å; L65-W69 HydrophobicContact CG-CB 4.43Å; L65-G70 VanDerWaalsContact CD1-O 3.25Å; L65-G70 WeakPolarHBondContact CD1-O 3.48Å; L65-C71 HydrophobicContact CD1-CB 4.07Å; L65-E76 HydrophobicContact CD1-CB 3.92Å; L65-E76 HydrophobicContact CG-CB 4.42Å; L65-E76 PolarHBondContact N-O 3.48Å; L65-C77 WeakPolarHBondContact O-CA 3.29Å; L65-C78 PolarHBondContact O-N 3.18Å; L65-C78 PolarHBondContact O-SG 3.12Å; L65-C78 VanDerWaalsContact O-SG 3.32Å; L65-C87 VanDerWaalsContact CB-SG 3.55Å
66D93.8Very high92.5Very high92 Ų9266 Ų6649%0.49236%0.361SS..PPolyproline II helixtrans-67.9173.9171.6-72.8-69.7000111.6W69 C87D66-W69 WeakPolarHBondContact O-CB 3.04Å; D66-W69 PolarHBondContact O-N 3.31Å; D66-C87 WeakPolarHBondContact O-CB 3.37Å
67V92.8Very high92.9Very high63 Ų6356.4 Ų56.438%0.38232%0.32SS..THydrogen-bonded Turntrans-57.4147.8173-177.40000110.6W69 P89V67-W69 PolarHBondContact O-N 3.5Å; V67-P89 HydrophobicContact CG1-CB 4.49Å; V67-P89 HydrophobicContact CG1-CG 4.48Å; V67-P89 HydrophobicContact CG2-CB 4.17Å
68D90.6Very high93.3Very high109 Ų10957.2 Ų57.258%0.58332%0.322SS*.THydrogen-bonded Turntrans68.3-1.5-177.4-77.8-66.9000116.7C87D68-C87 PolarHBondContact N-O 2.58Å
69W92.8Very high93.3Very high74 Ų7453.6 Ų53.628%0.2830%0.304SS..SBendtrans-78.3145.3172.6-71.584.9000112.2K52 L53 H54 L65 D66 V67 C71 K86 C87K52-W69 HydrophobicContact CD-CD2 4.36Å; K52-W69 HydrophobicContact CD-CE3 4.29Å; K52-W69 HydrophobicContact CD-CH2 4.26Å; K52-W69 HydrophobicContact CD-CZ2 4.34Å; K52-W69 HydrophobicContact CD-CZ3 4.21Å; K52-W69 HydrophobicContact CG-CD2 3.96Å; K52-W69 HydrophobicContact CG-CE3 3.49Å; K52-W69 VanDerWaalsContact CG-CE3 3.49Å; K52-W69 HydrophobicContact CG-CH2 4.05Å; K52-W69 HydrophobicContact CG-CZ2 4.47Å; K52-W69 HydrophobicContact CG-CZ3 3.52Å; L53-W69 VanDerWaalsContact O-CZ3 3.25Å; L53-W69 WeakPolarHBondContact O-CZ3 3.29Å; H54-W69 AromaticContact ND1-CH2 3.93Å; L65-W69 HydrophobicContact CB-CB 3.94Å; L65-W69 HydrophobicContact CD1-CB 4.47Å; L65-W69 HydrophobicContact CD2-CB 4.22Å; L65-W69 HydrophobicContact CG-CB 4.43Å; D66-W69 WeakPolarHBondContact O-CB 3.04Å; D66-W69 PolarHBondContact O-N 3.31Å; V67-W69 PolarHBondContact O-N 3.5Å; W69-C71 PolarHBondContact O-N 2.68Å; W69-K86 CarbonylContact O-C 3.43Å; W69-K86 WeakPolarHBondContact O-CA 3.15Å; W69-C87 PolarHBondContact O-N 2.98Å
70G92.1Very high93.2Very high30 Ų3055.2 Ų55.231%0.30932%0.321SS..BIsolated β-bridgetrans-66.1121.3-179.900000111.4R39 L65 V85R39-G70 PolarHBondContact NH2-O 2.87Å; L65-G70 VanDerWaalsContact CD1-O 3.25Å; L65-G70 WeakPolarHBondContact CD1-O 3.48Å; G70-V85 CarbonylContact C-O 3.57Å; G70-V85 WeakPolarHBondContact CA-O 2.9Å
71C92.9Very high93.1Very high1 Ų156.3 Ų56.31%0.00732%0.324CS..  trans-126153-178.955.90000111.1L65 W69 E76 C77 C82 V85 K86 C87L65-C71 HydrophobicContact CD1-CB 4.07Å; W69-C71 PolarHBondContact O-N 2.68Å; C71-E76 HydrophobicContact CB-CB 4.43Å; C71-C77 VanDerWaalsContact CB-SG 3.53Å; C71-C82 HydrophobicContact CB-CB 3.86Å; C71-C82 WeakPolarHBondContact CB-SG 3.06Å; C71-C82 PolarHBondContact O-SG 2.67Å; C71-C82 WeakPolarHBondContact SG-CA 3.01Å; C71-C82 WeakPolarHBondContact SG-CB 3.42Å; C71-C82 CovalentContact SG-SG 2.02Å; C71-C82 PolarHBondContact SG-SG 3.35Å; C71-V85 PolarHBondContact N-O 3.49Å; C71-V85 WeakPolarHBondContact O-CG1 3.28Å; C71-K86 PolarHBondContact SG-O 2.93Å; C71-C87 PolarHBondContact SG-N 2.65Å; C71-C87 VanDerWaalsContact SG-N 3.36Å
72L90.5Very high93Very high135 Ų13557.3 Ų57.371%0.70733%0.331SS*.SBendtrans-105.6-32.5170.8-59.8169.3000111.3E76L72-E76 WeakPolarHBondContact CB-OE1 3.48Å; L72-E76 PolarHBondContact N-OE1 2.03Å; L72-E76 VanDerWaalsContact N-OE1 3.15Å; L72-E76 PolarHBondContact N-OE2 3.13Å
73S90.8Very high92.9Very high52 Ų5261 Ų6136%0.36435%0.346SS..SBendtrans-126.5150.2178-177.60000112.6S75 E76S73-S75 PolarHBondContact O-N 2.97Å; S73-S75 PolarHBondContact OG-OG 3.03Å; S73-S75 VanDerWaalsContact OG-OG 3.09Å; S73-E76 PolarHBondContact N-OE1 3.03Å; S73-E76 WeakPolarHBondContact O-CB 3.21Å; S73-E76 PolarHBondContact O-N 3.33Å
74N92.6Very high92.7Very high79 Ų7959.7 Ų59.742%0.42235%0.346SS..G310 helixtrans-56.2-33.8174.4-78.435.4000113E76 C77 G80 C82N74-E76 PolarHBondContact O-N 3.42Å; N74-C77 PolarHBondContact O-N 3.02Å; N74-G80 WeakPolarHBondContact CB-O 3.48Å; N74-G80 PolarHBondContact ND2-O 3.46Å; N74-G80 VanDerWaalsContact ND2-O 3.15Å; N74-G80 CarbonylContact O-C 3.57Å; N74-G80 VanDerWaalsContact O-CA 3.26Å; N74-G80 WeakPolarHBondContact O-CA 3.15Å; N74-C82 WeakPolarHBondContact OD1-CB 3.38Å; N74-C82 PolarHBondContact OD1-N 3.4Å; N74-C82 VanDerWaalsContact OD1-N 3.15Å; N74-C82 PolarHBondContact OD1-O 3.36Å
75S90.7Very high92.6Very high101 Ų10162 Ų6271%0.70636%0.359SS*.G310 helixtrans-67.5-16.2179.255.70000113.6S73S73-S75 PolarHBondContact O-N 2.97Å; S73-S75 PolarHBondContact OG-OG 3.03Å; S73-S75 VanDerWaalsContact OG-OG 3.09Å
76E92.1Very high92.5Very high29 Ų2966.8 Ų66.814%0.13638%0.38CS..G310 helixtrans-77.3-29.5177.2-61.5172.6-134.500112.2R39 V50 C64 L65 C71 L72 S73 N74R39-E76 IonicContact NH2-OE2 3.58Å; V50-E76 HydrophobicContact CB-CB 4.37Å; V50-E76 HydrophobicContact CB-CG 4.4Å; V50-E76 HydrophobicContact CG1-CB 3.93Å; V50-E76 HydrophobicContact CG1-CG 3.77Å; C64-E76 CarbonylContact C-O 3.43Å; C64-E76 WeakPolarHBondContact CA-O 3.45Å; L65-E76 HydrophobicContact CD1-CB 3.92Å; L65-E76 HydrophobicContact CG-CB 4.42Å; L65-E76 PolarHBondContact N-O 3.48Å; C71-E76 HydrophobicContact CB-CB 4.43Å; L72-E76 WeakPolarHBondContact CB-OE1 3.48Å; L72-E76 PolarHBondContact N-OE1 2.03Å; L72-E76 VanDerWaalsContact N-OE1 3.15Å; L72-E76 PolarHBondContact N-OE2 3.13Å; S73-E76 PolarHBondContact N-OE1 3.03Å; S73-E76 WeakPolarHBondContact O-CB 3.21Å; S73-E76 PolarHBondContact O-N 3.33Å; N74-E76 PolarHBondContact O-N 3.42Å
77C94.4Very high92.5Very high7 Ų762.4 Ų62.45%0.04736%0.356CS..BIsolated β-bridgetrans-83137.6-175.9-58.20000111.2L65 C71 N74 S79 G80 I81 C87L65-C77 WeakPolarHBondContact O-CA 3.29Å; C71-C77 VanDerWaalsContact CB-SG 3.53Å; N74-C77 PolarHBondContact O-N 3.02Å; C77-S79 WeakPolarHBondContact CB-OG 3.49Å; C77-S79 PolarHBondContact O-N 3.14Å; C77-S79 VanDerWaalsContact O-N 3.14Å; C77-G80 PolarHBondContact O-N 3.34Å; C77-I81 PolarHBondContact SG-O 3.19Å; C77-C87 WeakPolarHBondContact CA-SG 3.33Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.14Å; C77-C87 WeakPolarHBondContact SG-CA 3.06Å; C77-C87 WeakPolarHBondContact SG-CB 3.02Å; C77-C87 CovalentContact SG-SG 2.03Å; C77-C87 PolarHBondContact SG-SG 3.22Å
78C93.9Very high92.5Very high57 Ų5762.4 Ų62.439%0.38535%0.352SS..THydrogen-bonded Turntrans-60.7-26172.1-52.40000111.6C64 L65 G80C64-C78 HydrophobicContact CB-CB 3.91Å; C64-C78 WeakPolarHBondContact CB-SG 3.42Å; C64-C78 VanDerWaalsContact SG-CA 3.6Å; C64-C78 WeakPolarHBondContact SG-CB 3.38Å; C64-C78 CovalentContact SG-SG 2.03Å; C64-C78 PolarHBondContact SG-SG 3.44Å; L65-C78 PolarHBondContact O-N 3.18Å; L65-C78 PolarHBondContact O-SG 3.12Å; L65-C78 VanDerWaalsContact O-SG 3.32Å; C78-G80 VanDerWaalsContact C-N 3.33Å
79S91.7Very high92.5Very high12 Ų1260.7 Ų60.78%0.08435%0.347CS..THydrogen-bonded Turntrans-78.1-12.4173.363.70000114.3C77 I81 Q88 K90C77-S79 WeakPolarHBondContact CB-OG 3.49Å; C77-S79 PolarHBondContact O-N 3.14Å; C77-S79 VanDerWaalsContact O-N 3.14Å; S79-I81 PolarHBondContact O-N 3.33Å; S79-I81 PolarHBondContact OG-N 3.43Å; S79-I81 PolarHBondContact OG-O 3.28Å; S79-Q88 WeakPolarHBondContact CB-O 3.38Å; S79-Q88 PolarHBondContact OG-O 3.02Å; S79-K90 WeakPolarHBondContact O-CE 3.25Å; S79-K90 WeakPolarHBondContact O-CG 3.37Å
80G93.1Very high92.1Very high35 Ų3563.9 Ų63.936%0.36136%0.362SS..SBendtrans67.713.3-173.300000114.2N74 C77 C78N74-G80 WeakPolarHBondContact CB-O 3.48Å; N74-G80 PolarHBondContact ND2-O 3.46Å; N74-G80 VanDerWaalsContact ND2-O 3.15Å; N74-G80 CarbonylContact O-C 3.57Å; N74-G80 VanDerWaalsContact O-CA 3.26Å; N74-G80 WeakPolarHBondContact O-CA 3.15Å; C77-G80 PolarHBondContact O-N 3.34Å; C78-G80 VanDerWaalsContact C-N 3.33Å
81I93Very high91.3Very high61 Ų6171.5 Ų71.531%0.31339%0.387SS..  trans-129.8107.9-176.8-54.7171.6000108.6C77 S79 C87 Q88 K90C77-I81 PolarHBondContact SG-O 3.19Å; S79-I81 PolarHBondContact O-N 3.33Å; S79-I81 PolarHBondContact OG-N 3.43Å; S79-I81 PolarHBondContact OG-O 3.28Å; I81-C87 WeakPolarHBondContact O-CA 3.44Å; I81-Q88 HydrophobicContact CB-CB 4.2Å; I81-Q88 HydrophobicContact CG2-CB 3.8Å; I81-Q88 HydrophobicContact CG2-CG 4.2Å; I81-Q88 PolarHBondContact O-N 3.16Å; I81-K90 HydrophobicContact CD1-CG 4.49Å
82C94.2Very high90.1Very high22 Ų2281 Ų8115%0.14943%0.428CS..EExtended strand (participates in β ladder)trans-103.3118.1167.4-174.20000108.3C71 N74C71-C82 HydrophobicContact CB-CB 3.86Å; C71-C82 WeakPolarHBondContact CB-SG 3.06Å; C71-C82 PolarHBondContact O-SG 2.67Å; C71-C82 WeakPolarHBondContact SG-CA 3.01Å; C71-C82 WeakPolarHBondContact SG-CB 3.42Å; C71-C82 CovalentContact SG-SG 2.02Å; C71-C82 PolarHBondContact SG-SG 3.35Å; N74-C82 WeakPolarHBondContact OD1-CB 3.38Å; N74-C82 PolarHBondContact OD1-N 3.4Å; N74-C82 VanDerWaalsContact OD1-N 3.15Å; N74-C82 PolarHBondContact OD1-O 3.36Å
83H93.7Very high88.8Confident110 Ų11081.8 Ų81.851%0.50943%0.432SS..EExtended strand (participates in β ladder)trans-142134.1179.5-175-103.6000109.6V85 K86 Q88H83-V85 VanDerWaalsContact C-N 3.26Å; H83-V85 PolarHBondContact O-N 3.16Å; H83-K86 PolarHBondContact N-O 3.39Å; H83-K86 PolarHBondContact O-N 3.19Å; H83-K86 VanDerWaalsContact O-N 3.12Å; H83-Q88 HydrophobicContact CB-CG 3.64Å; H83-Q88 PolarHBondContact O-NE2 2.74Å
84L91.7Very high87.4Confident137 Ų13789 Ų8972%0.71746%0.457SS*.THydrogen-bonded Turntrans53.743.8-173.6-59.9167.7000112.1K86L84-K86 PolarHBondContact O-N 3.34Å; L84-K86 VanDerWaalsContact O-N 3.09Å
85V91.7Very high85.9Confident95 Ų9591.7 Ų91.758%0.57647%0.47SS*.THydrogen-bonded Turntrans60.818.8179.5-160.60000112.5G70 C71 H83G70-V85 CarbonylContact C-O 3.57Å; G70-V85 WeakPolarHBondContact CA-O 2.9Å; C71-V85 PolarHBondContact N-O 3.49Å; C71-V85 WeakPolarHBondContact O-CG1 3.28Å; H83-V85 VanDerWaalsContact C-N 3.26Å; H83-V85 PolarHBondContact O-N 3.16Å
86K93.4Very high84.6Confident102 Ų10293.2 Ų93.244%0.44347%0.47SS..EExtended strand (participates in β ladder)trans-134.3143.4179.1-69-175.5177.6-172.80111.9W69 C71 H83 L84 Q88W69-K86 CarbonylContact O-C 3.43Å; W69-K86 WeakPolarHBondContact O-CA 3.15Å; C71-K86 PolarHBondContact SG-O 2.93Å; H83-K86 PolarHBondContact N-O 3.39Å; H83-K86 PolarHBondContact O-N 3.19Å; H83-K86 VanDerWaalsContact O-N 3.12Å; L84-K86 PolarHBondContact O-N 3.34Å; L84-K86 VanDerWaalsContact O-N 3.09Å; K86-Q88 PolarHBondContact O-N 3.38Å
87C93.5Very high83.5Confident0 Ų098.9 Ų98.90%050%0.5CS..EExtended strand (participates in β ladder)trans-67.9125.3172.9-68.50000110.3L65 D66 D68 W69 C71 C77 I81L65-C87 VanDerWaalsContact CB-SG 3.55Å; D66-C87 WeakPolarHBondContact O-CB 3.37Å; D68-C87 PolarHBondContact N-O 2.58Å; W69-C87 PolarHBondContact O-N 2.98Å; C71-C87 PolarHBondContact SG-N 2.65Å; C71-C87 VanDerWaalsContact SG-N 3.36Å; C77-C87 WeakPolarHBondContact CA-SG 3.33Å; C77-C87 HydrophobicContact CB-CB 3.68Å; C77-C87 WeakPolarHBondContact CB-SG 3.14Å; C77-C87 WeakPolarHBondContact SG-CA 3.06Å; C77-C87 WeakPolarHBondContact SG-CB 3.02Å; C77-C87 CovalentContact SG-SG 2.03Å; C77-C87 PolarHBondContact SG-SG 3.22Å; I81-C87 WeakPolarHBondContact O-CA 3.44Å
88Q93.4Very high81.9Confident63 Ų63111.6 Ų111.629%0.29455%0.549SS..PPolyproline II helixtrans-98.7152179.6-63.8-60.4-41.800111S79 I81 H83 K86S79-Q88 WeakPolarHBondContact CB-O 3.38Å; S79-Q88 PolarHBondContact OG-O 3.02Å; I81-Q88 HydrophobicContact CB-CB 4.2Å; I81-Q88 HydrophobicContact CG2-CB 3.8Å; I81-Q88 HydrophobicContact CG2-CG 4.2Å; I81-Q88 PolarHBondContact O-N 3.16Å; H83-Q88 HydrophobicContact CB-CG 3.64Å; H83-Q88 PolarHBondContact O-NE2 2.74Å; K86-Q88 PolarHBondContact O-N 3.38Å
89P91Very high81.3Confident72 Ų72114.4 Ų114.447%0.46856%0.557SS.*PPolyproline II helixtrans-66.7143.7172.328.3-32.9000111V67 K91V67-P89 HydrophobicContact CG1-CB 4.49Å; V67-P89 HydrophobicContact CG1-CG 4.48Å; V67-P89 HydrophobicContact CG2-CB 4.17Å; P89-K91 PolarHBondContact O-N 3.32Å; P89-K91 VanDerWaalsContact O-N 3.16Å
90K83.6Confident80.8Confident141 Ų141119.7 Ų119.761%0.61358%0.582SS**PPolyproline II helixtrans-62.8118.7167.6-74.3-174.7-179.9177.20107.8S79 I81 K92S79-K90 WeakPolarHBondContact O-CE 3.25Å; S79-K90 WeakPolarHBondContact O-CG 3.37Å; I81-K90 HydrophobicContact CD1-CG 4.49Å; K90-K92 PolarHBondContact O-N 3.35Å
91K75.7Confident80.1Confident191 Ų191124.4 Ų124.483%0.8360%0.595SS**  trans-58.6108.9171.9-68.8-177.5-178.1179.40107.6P89 L93P89-K91 PolarHBondContact O-N 3.32Å; P89-K91 VanDerWaalsContact O-N 3.16Å; K91-L93 PolarHBondContact O-N 3.4Å
92K66.7Low79.3Confident199 Ų199128.2 Ų128.287%0.86561%0.611SS**  trans-66.1103.8162.1-71.1-159.2179.4-171.90105.4K90 K94K90-K92 PolarHBondContact O-N 3.35Å; K92-K94 PolarHBondContact O-N 3.5Å
93L63.4Low78.4Confident152 Ų152134.8 Ų134.880%0.79664%0.64SS**  trans-53110.1163.1-106.184.2000105.9K91 I95K91-L93 PolarHBondContact O-N 3.4Å; L93-I95 VanDerWaalsContact C-N 3.25Å; L93-I95 PolarHBondContact O-N 2.9Å
94K61.2Low77.4Confident203 Ų203136.5 Ų136.588%0.88365%0.649SS**  trans-67.697.8160.3-81.6-173.9174.6-176.30104.8K92 N96K92-K94 PolarHBondContact O-N 3.5Å; K94-N96 VanDerWaalsContact C-N 3.34Å; K94-N96 PolarHBondContact O-N 2.96Å
95I61.4Low76.4Confident137 Ų137136.4 Ų136.470%0.70364%0.644SS**  trans-65.4104.6166.4-57.4170.2000104.6L93 I97L93-I95 VanDerWaalsContact C-N 3.25Å; L93-I95 PolarHBondContact O-N 2.9Å; I95-I97 HydrophobicContact CG2-CG1 3.8Å; I95-I97 PolarHBondContact O-N 2.96Å
96N64.4Low75.2Confident132 Ų132139.6 Ų139.671%0.70665%0.649SS**  trans-78.397.5170.9-159.623000105.8K94 Y98K94-N96 VanDerWaalsContact C-N 3.34Å; K94-N96 PolarHBondContact O-N 2.96Å; N96-Y98 PolarHBondContact O-N 3.48Å
97I67.7Low73.7Confident148 Ų148142.8 Ų142.876%0.75967%0.666SS**  trans-80.5104171.8-60.7173.1000105.8I95I95-I97 HydrophobicContact CG2-CG1 3.8Å; I95-I97 PolarHBondContact O-N 2.96Å
98Y62.1Low71.9Confident275 Ų275155.7 Ų155.7100%1.07873%0.727SS**  trans-124.40155.4-88.9-78.9000107.9N96N96-Y98 PolarHBondContact O-N 3.48Å

Retrieved 98 of 98 residues in 90.7 ms (Link to these results)