X2JGG6_DROME Loading...

Heat shock protein 26, isoform B

AlphaFold DB (P02517), UniProt , Accession X2JGG6, Species DROME (Drosophila melanogaster, Fruit fly), Gene Hsp26, Length 208 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.4Low61.5Low187 Ų18796 Ų9692%0.92154%0.543SS*.  0118.70-65.3-63.6-100.700107.2
2S71Confident60.8Low64 Ų64100.8 Ų100.845%0.44856%0.557SS.*  trans-71.3148177.7168.90000109.5S4 T5 L6S2-S4 WeakPolarHBondContact CB-OG 3.13Å; S2-S4 PolarHBondContact O-N 3.04Å; S2-S4 PolarHBondContact OG-N 3.09Å; S2-S4 PolarHBondContact OG-OG 3.48Å; S2-T5 WeakPolarHBondContact CB-OG1 3.32Å; S2-T5 PolarHBondContact N-OG1 3.24Å; S2-T5 WeakPolarHBondContact O-CB 3.36Å; S2-T5 PolarHBondContact O-N 3.01Å; S2-T5 PolarHBondContact O-OG1 3.16Å; S2-L6 PolarHBondContact O-N 3.46Å
3L70Confident59.6Low139 Ų139104 Ų10473%0.72857%0.572SS**Hα-helixtrans-53.4-32.3171.8-98.7157.8000112.1T5 L6 L7L3-T5 VanDerWaalsContact C-N 3.31Å; L3-T5 PolarHBondContact O-N 3.25Å; L3-L6 PolarHBondContact O-N 3.31Å; L3-L7 PolarHBondContact O-N 3.34Å; L3-L7 VanDerWaalsContact O-N 3.12Å
4S68.2Low58.7Low79 Ų79103.3 Ų103.355%0.55256%0.562SS**Hα-helixtrans-64-34.7174.857.60000113.1S2 S8S2-S4 WeakPolarHBondContact CB-OG 3.13Å; S2-S4 PolarHBondContact O-N 3.04Å; S2-S4 PolarHBondContact OG-N 3.09Å; S2-S4 PolarHBondContact OG-OG 3.48Å; S4-S8 PolarHBondContact O-N 3.49Å
5T65.4Low57.6Low56 Ų56106.8 Ų106.834%0.34457%0.573SS.*Hα-helixtrans-75.1-28.5178.3-26.80000111.8S2 L3 S8 L9S2-T5 WeakPolarHBondContact CB-OG1 3.32Å; S2-T5 PolarHBondContact N-OG1 3.24Å; S2-T5 WeakPolarHBondContact O-CB 3.36Å; S2-T5 PolarHBondContact O-N 3.01Å; S2-T5 PolarHBondContact O-OG1 3.16Å; L3-T5 VanDerWaalsContact C-N 3.31Å; L3-T5 PolarHBondContact O-N 3.25Å; T5-S8 PolarHBondContact O-OG 3.3Å; T5-L9 WeakPolarHBondContact O-CD1 2.9Å; T5-L9 VanDerWaalsContact O-CG 3.26Å; T5-L9 WeakPolarHBondContact O-CG 3.49Å; T5-L9 PolarHBondContact O-N 3.3Å
6L61Low56.3Low91 Ų91107.7 Ų107.748%0.47659%0.587SS.*Hα-helixtrans-74-38.5174.2-76.6171.1000111.6S2 L3 L9 V10S2-L6 PolarHBondContact O-N 3.46Å; L3-L6 PolarHBondContact O-N 3.31Å; L6-L9 PolarHBondContact O-N 3.15Å; L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.27Å; L6-V10 PolarHBondContact O-N 3.05Å; L6-V10 VanDerWaalsContact O-N 3.09Å
7L61.5Low55.5Low124 Ų124110.9 Ų110.965%0.64959%0.588SS**Hα-helixtrans-66.1-36.7177.2-74166.6000112.6L3 V10 D11L3-L7 PolarHBondContact O-N 3.34Å; L3-L7 VanDerWaalsContact O-N 3.12Å; L7-V10 PolarHBondContact O-N 3.24Å; L7-D11 PolarHBondContact O-N 3.07Å
8S56.5Low54.7Low63 Ų63110.4 Ų110.444%0.44160%0.595SS.*Hα-helixtrans-68.2-36.4175.361.60000112.7S4 T5 V10 D11 E12S4-S8 PolarHBondContact O-N 3.49Å; T5-S8 PolarHBondContact O-OG 3.3Å; S8-V10 VanDerWaalsContact C-N 3.35Å; S8-D11 PolarHBondContact O-N 3.43Å; S8-E12 PolarHBondContact O-N 2.97Å
9L53.1Low54.3Low68 Ų68107.6 Ų107.636%0.35658%0.583SS.*Hα-helixtrans-71.4-29.7177.6-72.3170000112.5T5 L6 E12 L13T5-L9 WeakPolarHBondContact O-CD1 2.9Å; T5-L9 VanDerWaalsContact O-CG 3.26Å; T5-L9 WeakPolarHBondContact O-CG 3.49Å; T5-L9 PolarHBondContact O-N 3.3Å; L6-L9 PolarHBondContact O-N 3.15Å; L9-E12 PolarHBondContact O-N 3.22Å; L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 3.07Å; L9-L13 VanDerWaalsContact O-N 3.13Å
10V61.4Low53.7Low92 Ų92110.2 Ų110.256%0.55860%0.595SS**Hα-helixtrans-69.1-35.5173.4173.20000111.1L6 L7 S8 E12L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.27Å; L6-V10 PolarHBondContact O-N 3.05Å; L6-V10 VanDerWaalsContact O-N 3.09Å; L7-V10 PolarHBondContact O-N 3.24Å; S8-V10 VanDerWaalsContact C-N 3.35Å; V10-E12 VanDerWaalsContact C-N 3.29Å
11D54.4Low53.4Low93 Ų93110.9 Ų110.950%0.49759%0.59SS.*Hα-helixtrans-67.7-30.2173.8-133.324000111.3L7 S8 K99L7-D11 PolarHBondContact O-N 3.07Å; S8-D11 PolarHBondContact O-N 3.43Å; D11-K99 WeakPolarHBondContact OD2-CE 3.43Å; D11-K99 IonicContact OD2-NZ 3.1Å; D11-K99 PolarHBondContact OD2-NZ 2.95Å
12E53.4Low52.6Low154 Ų154107.3 Ų107.372%0.7257%0.571SS**Hα-helixtrans-81.7-22.5179.2-119.1-176164.700114.3S8 L9 V10 Q14S8-E12 PolarHBondContact O-N 2.97Å; L9-E12 PolarHBondContact O-N 3.22Å; V10-E12 VanDerWaalsContact C-N 3.29Å; E12-Q14 VanDerWaalsContact C-N 3.31Å
13L44.9Very low51.2Low142 Ų142111 Ų11174%0.74359%0.585SS**THydrogen-bonded Turntrans-88.32.7179.4-71.1173.6000113.5L9 E15L9-L13 VanDerWaalsContact O-CG 3.3Å; L9-L13 WeakPolarHBondContact O-CG 3.44Å; L9-L13 PolarHBondContact O-N 3.07Å; L9-L13 VanDerWaalsContact O-N 3.13Å; L13-E15 PolarHBondContact O-N 3.31Å; L13-E15 VanDerWaalsContact O-N 3.1Å
14Q46.7Very low49.9Very low94 Ų94107.5 Ų107.544%0.43958%0.582SS.*  trans-78.692175.2-156.897.1-1200108.9E12E12-Q14 VanDerWaalsContact C-N 3.31Å
15E42.1Very low48.9Very low156 Ų156109.8 Ų109.873%0.72959%0.588SS**  trans-50.4141.3175.4-71.5177.4163.200111.7L13 R17L13-E15 PolarHBondContact O-N 3.31Å; L13-E15 VanDerWaalsContact O-N 3.1Å; E15-R17 PolarHBondContact O-N 2.63Å
16P37.1Very low47.8Very low121 Ų121109.7 Ų109.779%0.78660%0.598SS**  trans-68.5100.7-177.427.6-33.1000110.1
17R41.9Very low47.1Very low162 Ų162110.3 Ų110.361%0.61160%0.601SS**  trans-82.2115.7168.8-66.7-169.2178.4136.33.4108.9E15 P19 D154E15-R17 PolarHBondContact O-N 2.63Å; R17-P19 WeakPolarHBondContact O-CD 3.27Å; R17-D154 PolarHBondContact NH1-O 3.22Å
18S42.3Very low46.4Very low103 Ų103110.8 Ų110.872%0.7260%0.6SS**  trans-56.5121.6176.154.90000110.6I20S18-I20 PolarHBondContact O-N 3.17Å
19P45.8Very low46.3Very low56 Ų56112.5 Ų112.536%0.36461%0.609SS.*  trans-64.7120.6174.3-19.631.9000110.2R17 Y21 Q97R17-P19 WeakPolarHBondContact O-CD 3.27Å; P19-Y21 HydrophobicContact CB-CD1 4.29Å; P19-Y21 HydrophobicContact CB-CD2 3.6Å; P19-Y21 HydrophobicContact CB-CE1 3.97Å; P19-Y21 HydrophobicContact CB-CE2 3.25Å; P19-Y21 HydrophobicContact CB-CG 4.1Å; P19-Y21 VanDerWaalsContact CB-CZ 3.44Å; P19-Y21 HydrophobicContact CG-CD2 4.35Å; P19-Y21 HydrophobicContact CG-CE2 3.61Å; P19-Y21 PolarHBondContact O-N 3.04Å; P19-Q97 VanDerWaalsContact CB-NE2 3.28Å; P19-Q97 VanDerWaalsContact CG-NE2 3.34Å
20I43.9Very low46.3Very low159 Ų159116.6 Ų116.682%0.81563%0.626SS**  trans-7682.7161.9-59.5177.5000106.5S18 E22S18-I20 PolarHBondContact O-N 3.17Å; I20-E22 VanDerWaalsContact C-N 3.3Å; I20-E22 PolarHBondContact O-N 3.27Å; I20-E22 VanDerWaalsContact O-N 3.07Å
21Y46.4Very low46Very low126 Ų126115.2 Ų115.249%0.49462%0.621SS.*  trans-75.688.3165-62.7-62.9000108.1P19 L23 Q97 R130P19-Y21 HydrophobicContact CB-CD1 4.29Å; P19-Y21 HydrophobicContact CB-CD2 3.6Å; P19-Y21 HydrophobicContact CB-CE1 3.97Å; P19-Y21 HydrophobicContact CB-CE2 3.25Å; P19-Y21 HydrophobicContact CB-CG 4.1Å; P19-Y21 VanDerWaalsContact CB-CZ 3.44Å; P19-Y21 HydrophobicContact CG-CD2 4.35Å; P19-Y21 HydrophobicContact CG-CE2 3.61Å; P19-Y21 PolarHBondContact O-N 3.04Å; Y21-L23 PolarHBondContact O-N 3.35Å; Y21-Q97 PolarHBondContact OH-OE1 3.15Å; Y21-R130 PolarHBondContact OH-NE 2.77Å
22E38.5Very low45.9Very low112 Ų112120.1 Ų120.152%0.52363%0.632SS.*  trans-81.3101164.6-155.8-170.5174.800107.7I20 G24 G26I20-E22 VanDerWaalsContact C-N 3.3Å; I20-E22 PolarHBondContact O-N 3.27Å; I20-E22 VanDerWaalsContact O-N 3.07Å; E22-G24 PolarHBondContact O-N 3.32Å; E22-G26 WeakPolarHBondContact OE1-CA 3.35Å
23L40.5Very low45.8Very low142 Ų142122.6 Ų122.674%0.74364%0.636SS**  trans-67.847.5174.9-76.1166000111.7Y21 L25Y21-L23 PolarHBondContact O-N 3.35Å; L23-L25 WeakPolarHBondContact O-CB 3.33Å; L23-L25 VanDerWaalsContact O-CG 3.24Å; L23-L25 WeakPolarHBondContact O-CG 3.49Å; L23-L25 PolarHBondContact O-N 2.88Å
24G42.4Very low46Very low65 Ų65121.7 Ų121.767%0.6764%0.637SS**SBendtrans53.76.8172.500000117.2E22E22-G24 PolarHBondContact O-N 3.32Å
25L47.2Very low46Very low127 Ų127125.1 Ų125.167%0.66566%0.657SS**SBendtrans-118.32.2-170.8-70.5173.7000112L23 L27L23-L25 WeakPolarHBondContact O-CB 3.33Å; L23-L25 VanDerWaalsContact O-CG 3.24Å; L23-L25 WeakPolarHBondContact O-CG 3.49Å; L23-L25 PolarHBondContact O-N 2.88Å; L25-L27 PolarHBondContact O-N 2.72Å
26G43.7Very low46.2Very low54 Ų54122.7 Ų122.756%0.55766%0.655SS**SBendtrans62.521.617900000114.4E22E22-G26 WeakPolarHBondContact OE1-CA 3.35Å
27L46.2Very low46.6Very low103 Ų103125.2 Ų125.254%0.53966%0.661SS.*  trans-116.4113.9-176.5-69.4170.3000110L25L25-L27 PolarHBondContact O-N 2.72Å
28H46.5Very low46.8Very low135 Ų135120.5 Ų120.563%0.62566%0.663SS**  trans-61.7138.1173.3-161.9-92.5000109.9H30 S31H28-H30 PolarHBondContact O-N 2.85Å; H28-S31 WeakPolarHBondContact O-CB 3.36Å; H28-S31 PolarHBondContact O-N 3.21Å; H28-S31 PolarHBondContact O-OG 2.84Å
29P53Low47.1Very low99 Ų99122 Ų12264%0.64367%0.668SS**G310 helixtrans-59-22.7-175.417.5-28.6000114.2
30H55Low47.3Very low153 Ų153127.6 Ų127.671%0.70869%0.689SS**G310 helixtrans-83.7-5.2173.8-90-74.9000116H28 R32H28-H30 PolarHBondContact O-N 2.85Å; H30-R32 PolarHBondContact O-N 3.48Å
31S54.1Low47.5Very low63 Ų63128.9 Ų128.944%0.44169%0.691SS.*G310 helixtrans-78.71.5-178.660.50000114.5H28H28-S31 WeakPolarHBondContact O-CB 3.36Å; H28-S31 PolarHBondContact O-N 3.21Å; H28-S31 PolarHBondContact O-OG 2.84Å
32R51.9Low47.4Very low197 Ų197133.7 Ų133.774%0.74371%0.709SS**G310 helixtrans-88.65.5-176.7-71-158.1178-176.62.2116.4H30H30-R32 PolarHBondContact O-N 3.48Å
33Y52.6Low47.7Very low205 Ų205139.9 Ų139.980%0.80473%0.727SS**  trans-12151.6179.2-63.7-76.3000113.4
34V47.2Very low47.9Very low124 Ų124138 Ų13875%0.75273%0.726SS**  trans-14091.3160-167.50000108.7P36V34-P36 WeakPolarHBondContact O-CD 3.37Å
35L48.4Very low48.4Very low165 Ų165141.9 Ų141.986%0.86473%0.73SS**  trans-88.6112.1157.1-82.2162.2000107
36P44.7Very low48.9Very low106 Ų106143 Ų14369%0.68874%0.737SS**  trans-94.798156.828.1-14.2000107.4V34 G38V34-P36 WeakPolarHBondContact O-CD 3.37Å; P36-G38 VanDerWaalsContact C-N 3.26Å; P36-G38 PolarHBondContact O-N 3.18Å
37L46.3Very low49.5Very low174 Ų174143.2 Ų143.291%0.91174%0.739SS**  trans-65.497.2150.4-115.480.7000105.8
38G46.6Very low50.2Low63 Ų63140.6 Ų140.665%0.64973%0.729SS**  trans-173.293.3-176.400000111.2P36P36-G38 VanDerWaalsContact C-N 3.26Å; P36-G38 PolarHBondContact O-N 3.18Å
39T48.6Very low51.2Low135 Ų135140.6 Ų140.683%0.82874%0.741SS**  trans-61.1156.5167.939.60000111.2
40Q50.8Low52.3Low173 Ų173138.1 Ų138.181%0.80873%0.725SS**  trans72.796.8164.4-65-86.1-4.300117
41Q46.3Very low53Low185 Ų185135.1 Ų135.186%0.86473%0.727SS**  -172.8126107.2-110.9172.5-56.800111.4R43Q41-R43 PolarHBondContact O-N 3.28Å
42R44.8Very low53.9Low228 Ų228134.2 Ų134.286%0.8672%0.721SS**  trans-40.8128.8158.7-80.7-179.4164.6-151.4-0.9110.8
43R44.5Very low54.6Low242 Ų242128.4 Ų128.491%0.91371%0.708SS**  trans-129.299.1134.3-72.6-166.1176.9-172.2-0.1108.8Q41 I45Q41-R43 PolarHBondContact O-N 3.28Å; R43-I45 PolarHBondContact O-N 2.78Å
44S45.7Very low55.7Low103 Ų103125.9 Ų125.972%0.7271%0.707SS**  trans-61.4113.2158.1168.10000107.5
45I52.8Low57.2Low145 Ų145121.2 Ų121.274%0.74468%0.68SS**SBendtrans-141.388.3146.2-43.3178.2000104.9R43 G47R43-I45 PolarHBondContact O-N 2.78Å; I45-G47 PolarHBondContact O-N 3.26Å
46N57Low58.3Low151 Ų151118.2 Ų118.281%0.80767%0.67SS**SBendtrans61.327.3164.3-57-18.8000121
47G57.6Low60Low58 Ų58115.1 Ų115.160%0.59865%0.651SS**  trans-87.1131.4173.300000114.1I45I45-G47 PolarHBondContact O-N 3.26Å
48C60.5Low61.5Low49 Ų49106.9 Ų106.933%0.33161%0.608SS.*  trans-76.7133.1175.9-168.90000110.5C50 S57C48-C50 PolarHBondContact O-N 3.35Å; C48-S57 WeakPolarHBondContact CB-OG 3.43Å
49P68Low62.8Low135 Ų135108.4 Ų108.488%0.87761%0.606SS**  trans-73.9-6.2-174.428.9-35.8000114.5
50C76.1Confident64.2Low46 Ų46103.8 Ų103.831%0.31158%0.582SS.*  trans-73.1137.8-178.865.40000111C48 S52 C55 S58C48-C50 PolarHBondContact O-N 3.35Å; C50-S52 PolarHBondContact O-N 2.84Å; C50-C55 WeakPolarHBondContact SG-CB 3.48Å; C50-C55 PolarHBondContact SG-SG 2.87Å; C50-S58 WeakPolarHBondContact O-CB 3.2Å
51A69.7Low65.4Low91 Ų9195.7 Ų95.775%0.75255%0.545SS*.  trans-8213.4169.700000112.7
52S73Confident66.9Low44 Ų4491.7 Ų91.731%0.30853%0.526SS..  trans-70.8128.8-173.81770000110.9C50 I54 C55 S58C50-S52 PolarHBondContact O-N 2.84Å; S52-I54 PolarHBondContact O-N 3.37Å; S52-I54 PolarHBondContact OG-N 3.1Å; S52-C55 PolarHBondContact O-N 3.19Å; S52-S58 WeakPolarHBondContact O-CB 3.39Å; S52-S58 PolarHBondContact O-OG 3.44Å
53P65.2Low68.3Low75 Ų7585.5 Ų85.549%0.48751%0.514SS..THydrogen-bonded Turntrans-65.1-16174.826.3-33.2000113A60 L64P53-A60 HydrophobicContact CB-CB 4.39Å; P53-L64 HydrophobicContact CB-CD1 3.53Å; P53-L64 WeakPolarHBondContact O-CD1 3.42Å
54I76.8Confident69.7Low152 Ų15278.1 Ų78.178%0.77949%0.492SS*.THydrogen-bonded Turntrans-83.8-20.6-178.8-54.8168.9000111.1S52 P56S52-I54 PolarHBondContact O-N 3.37Å; S52-I54 PolarHBondContact OG-N 3.1Å; I54-P56 WeakPolarHBondContact O-CD 3.46Å
55C78.4Confident71.1Confident25 Ų2575.1 Ų75.117%0.16947%0.474CS..  trans-85.7117.7-176.9-174.90000111.1C50 S52 S57 S58 G61C50-C55 WeakPolarHBondContact SG-CB 3.48Å; C50-C55 PolarHBondContact SG-SG 2.87Å; S52-C55 PolarHBondContact O-N 3.19Å; C55-S57 PolarHBondContact O-N 2.84Å; C55-S57 PolarHBondContact SG-OG 3.47Å; C55-S58 PolarHBondContact O-N 3.27Å; C55-S58 PolarHBondContact O-OG 3.17Å; C55-G61 WeakPolarHBondContact O-CA 3.32Å
56P71.5Confident71.8Confident102 Ų10272.4 Ų72.466%0.66246%0.46SS*.THydrogen-bonded Turntrans-64.1-19-175.225.7-34.6000113.8I54 Q62I54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-Q62 WeakPolarHBondContact O-CG 3.32Å
57S79.4Confident72.1Confident42 Ų4273.5 Ų73.529%0.29445%0.453SS..THydrogen-bonded Turntrans-97.7-4.517944.50000113.9C48 C55 Q62C48-S57 WeakPolarHBondContact CB-OG 3.43Å; C55-S57 PolarHBondContact O-N 2.84Å; C55-S57 PolarHBondContact SG-OG 3.47Å; S57-Q62 PolarHBondContact O-NE2 3.16Å
58S77.5Confident72.5Confident0 Ų080.4 Ų80.40%046%0.461CS..SBendtrans-75.5155.3171.175.60000111.1C50 S52 C55 A60 G61 Q62C50-S58 WeakPolarHBondContact O-CB 3.2Å; S52-S58 WeakPolarHBondContact O-CB 3.39Å; S52-S58 PolarHBondContact O-OG 3.44Å; C55-S58 PolarHBondContact O-N 3.27Å; C55-S58 PolarHBondContact O-OG 3.17Å; S58-A60 PolarHBondContact O-N 2.84Å; S58-G61 PolarHBondContact O-N 3.39Å; S58-G61 PolarHBondContact OG-N 3.41Å; S58-Q62 WeakPolarHBondContact O-CB 3.39Å; S58-Q62 WeakPolarHBondContact O-CG 3.36Å; S58-Q62 PolarHBondContact O-N 3.39Å
59P75.4Confident72.7Confident95 Ų9584 Ų8462%0.61747%0.473SS*.Hα-helixtrans-53.6-42.1172.1-26.434.8000112.8V63P59-V63 VanDerWaalsContact O-CG2 3.32Å; P59-V63 WeakPolarHBondContact O-CG2 3.04Å; P59-V63 PolarHBondContact O-N 3.08Å; P59-V63 VanDerWaalsContact O-N 3.16Å
60A76.6Confident72.3Confident38 Ų3883.4 Ų83.431%0.31446%0.46SS..Hα-helixtrans-66.8-41.4178.100000112.6P53 S58 V63 L64P53-A60 HydrophobicContact CB-CB 4.39Å; S58-A60 PolarHBondContact O-N 2.84Å; A60-V63 PolarHBondContact O-N 3.34Å; A60-L64 WeakPolarHBondContact O-CG 3.45Å; A60-L64 PolarHBondContact O-N 2.94Å
61G77.8Confident71.3Confident4 Ų485 Ų854%0.04148%0.476CS..Hα-helixtrans-74.2-31.8179.300000113.3C55 S58 L64 A65C55-G61 WeakPolarHBondContact O-CA 3.32Å; S58-G61 PolarHBondContact O-N 3.39Å; S58-G61 PolarHBondContact OG-N 3.41Å; G61-L64 PolarHBondContact O-N 3.11Å; G61-A65 VanDerWaalsContact O-CB 3.27Å; G61-A65 WeakPolarHBondContact O-CB 3.36Å; G61-A65 PolarHBondContact O-N 2.61Å
62Q76Confident70.7Confident100 Ų10086.9 Ų86.947%0.46747%0.474SS..Hα-helixtrans-63.6-43.7170.5-72.7178.531.800111.1P56 S57 S58 L64 A65 L66P56-Q62 WeakPolarHBondContact O-CG 3.32Å; S57-Q62 PolarHBondContact O-NE2 3.16Å; S58-Q62 WeakPolarHBondContact O-CB 3.39Å; S58-Q62 WeakPolarHBondContact O-CG 3.36Å; S58-Q62 PolarHBondContact O-N 3.39Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 2.6Å; Q62-A65 PolarHBondContact O-N 3.16Å; Q62-L66 WeakPolarHBondContact O-CB 3.45Å; Q62-L66 PolarHBondContact O-N 2.95Å
63V75.5Confident69.8Low98 Ų9893.5 Ų93.559%0.59449%0.492SS*.Hα-helixtrans-61-43.6174.2171.30000111P59 A60 R67P59-V63 VanDerWaalsContact O-CG2 3.32Å; P59-V63 WeakPolarHBondContact O-CG2 3.04Å; P59-V63 PolarHBondContact O-N 3.08Å; P59-V63 VanDerWaalsContact O-N 3.16Å; A60-V63 PolarHBondContact O-N 3.34Å; V63-R67 WeakPolarHBondContact O-CB 3.48Å; V63-R67 PolarHBondContact O-N 2.95Å
64L74.2Confident68.8Low87 Ų8797.1 Ų97.146%0.45551%0.507SS..Hα-helixtrans-67.8-34.6176.3-71171.8000113P53 A60 G61 Q62 R67 R68P53-L64 HydrophobicContact CB-CD1 3.53Å; P53-L64 WeakPolarHBondContact O-CD1 3.42Å; A60-L64 WeakPolarHBondContact O-CG 3.45Å; A60-L64 PolarHBondContact O-N 2.94Å; G61-L64 PolarHBondContact O-N 3.11Å; Q62-L64 VanDerWaalsContact C-N 3.34Å; Q62-L64 PolarHBondContact O-N 2.6Å; L64-R67 PolarHBondContact O-N 2.95Å; L64-R68 PolarHBondContact O-N 3.4Å
65A73.5Confident67.3Low41 Ų4196.1 Ų96.134%0.33950%0.504SS..Hα-helixtrans-66.9-46.2175.100000111.2G61 Q62 R67 R68 E69G61-A65 VanDerWaalsContact O-CB 3.27Å; G61-A65 WeakPolarHBondContact O-CB 3.36Å; G61-A65 PolarHBondContact O-N 2.61Å; Q62-A65 PolarHBondContact O-N 3.16Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-R67 PolarHBondContact O-N 3.48Å; A65-R68 CarbonylContact O-C 3.41Å; A65-R68 WeakPolarHBondContact O-CB 3.34Å; A65-R68 PolarHBondContact O-N 3.04Å; A65-R68 VanDerWaalsContact O-N 3.08Å; A65-E69 PolarHBondContact O-N 3.14Å
66L68.7Low65.7Low88 Ų88102.7 Ų102.746%0.46154%0.535SS..Hα-helixtrans-55.8-45.1171.1-87152.8000111.1Q62 R68 E69 M70Q62-L66 WeakPolarHBondContact O-CB 3.45Å; Q62-L66 PolarHBondContact O-N 2.95Å; L66-R68 VanDerWaalsContact C-N 3.31Å; L66-R68 PolarHBondContact O-N 3.47Å; L66-E69 PolarHBondContact O-N 3.46Å; L66-M70 HydrophobicContact CD2-CE 4.32Å; L66-M70 WeakPolarHBondContact O-CB 3.18Å; L66-M70 WeakPolarHBondContact O-CG 3.19Å; L66-M70 PolarHBondContact O-N 3.32Å
67R63Low64.5Low173 Ų173103.3 Ų103.365%0.65353%0.529SS*.Hα-helixtrans-61.4-38.9176.1-166.4178-172.1125.83.2112.2V63 L64 A65 A71V63-R67 WeakPolarHBondContact O-CB 3.48Å; V63-R67 PolarHBondContact O-N 2.95Å; L64-R67 PolarHBondContact O-N 2.95Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-R67 PolarHBondContact O-N 3.48Å; R67-A71 WeakPolarHBondContact O-CB 3.44Å; R67-A71 PolarHBondContact O-N 2.8Å
68R66.5Low62.8Low204 Ų204105.1 Ų105.177%0.7753%0.53SS*.Hα-helixtrans-69.5-40.1176.4-173.1-178.3-74.1-172-3.2111.9L64 A65 L66 A71 N72L64-R68 PolarHBondContact O-N 3.4Å; A65-R68 CarbonylContact O-C 3.41Å; A65-R68 WeakPolarHBondContact O-CB 3.34Å; A65-R68 PolarHBondContact O-N 3.04Å; A65-R68 VanDerWaalsContact O-N 3.08Å; L66-R68 VanDerWaalsContact C-N 3.31Å; L66-R68 PolarHBondContact O-N 3.47Å; R68-A71 PolarHBondContact O-N 3.45Å; R68-N72 PolarHBondContact O-N 3.2Å; R68-N72 VanDerWaalsContact O-N 3.11Å
69E63.9Low61.5Low125 Ų125108.3 Ų108.358%0.58455%0.55SS*.Hα-helixtrans-63.6-43.1173.9-76.2-176.3167.700111.5A65 L66 A71 N72 R73A65-E69 PolarHBondContact O-N 3.14Å; L66-E69 PolarHBondContact O-N 3.46Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.39Å; E69-N72 PolarHBondContact O-N 2.77Å; E69-N72 VanDerWaalsContact O-N 3.16Å; E69-R73 PolarHBondContact O-N 2.78Å; E69-R73 VanDerWaalsContact O-N 3.1Å
70M59.1Low60.7Low122 Ų122104.9 Ų104.960%0.60153%0.53SS*.Hα-helixtrans-62.1-39.3174.4-71171.6-179.900111.7L66 N72 R73L66-M70 HydrophobicContact CD2-CE 4.32Å; L66-M70 WeakPolarHBondContact O-CB 3.18Å; L66-M70 WeakPolarHBondContact O-CG 3.19Å; L66-M70 PolarHBondContact O-N 3.32Å; M70-N72 VanDerWaalsContact C-N 3.27Å; M70-N72 PolarHBondContact O-N 3.12Å; M70-R73 PolarHBondContact O-N 3.14Å
71A56.5Low60Low79 Ų79107.6 Ų107.665%0.65354%0.543SS*.Hα-helixtrans-68.7-23.1175.700000113.8R67 R68 E69R67-A71 WeakPolarHBondContact O-CB 3.44Å; R67-A71 PolarHBondContact O-N 2.8Å; R68-A71 PolarHBondContact O-N 3.45Å; E69-A71 VanDerWaalsContact C-N 3.33Å; E69-A71 PolarHBondContact O-N 3.39Å
72N55.6Low59.8Low131 Ų131109.2 Ų109.270%0.70156%0.556SS**Hα-helixtrans-90.5-18.7179.7-161.810.1000112.6R68 E69 M70 N74R68-N72 PolarHBondContact O-N 3.2Å; R68-N72 VanDerWaalsContact O-N 3.11Å; E69-N72 PolarHBondContact O-N 2.77Å; E69-N72 VanDerWaalsContact O-N 3.16Å; M70-N72 VanDerWaalsContact C-N 3.27Å; M70-N72 PolarHBondContact O-N 3.12Å; N72-N74 PolarHBondContact O-N 3.2Å; N72-N74 VanDerWaalsContact O-N 3.17Å
73R54.4Low60Low182 Ų182109.9 Ų109.969%0.68756%0.559SS**SBendtrans-78.199.1170-76.4-174.7158.2155.2-3.2108.5E69 M70 D75E69-R73 PolarHBondContact O-N 2.78Å; E69-R73 VanDerWaalsContact O-N 3.1Å; M70-R73 PolarHBondContact O-N 3.14Å; R73-D75 PolarHBondContact O-N 3.05Å
74N45.3Very low60.4Low152 Ų152109.4 Ų109.481%0.81356%0.556SS**  trans-63.632.4177.8-77.9-29.7000114.8N72 I76N72-N74 PolarHBondContact O-N 3.2Å; N72-N74 VanDerWaalsContact O-N 3.17Å; N74-I76 PolarHBondContact O-N 2.91Å
75D45.8Very low61Low131 Ų131107.4 Ų107.470%0.70156%0.556SS**SBendtrans-95.280.1176.4-59.5-38.1000108.1R73 H77R73-D75 PolarHBondContact O-N 3.05Å; D75-H77 PolarHBondContact O-N 2.91Å
76I43.8Very low61.5Low163 Ų163114.1 Ų114.184%0.83658%0.578SS**  trans35.564.4162.4-46174.9000113.3N74 W78N74-I76 PolarHBondContact O-N 2.91Å; I76-W78 PolarHBondContact O-N 3.06Å
77H45.6Very low62.3Low114 Ų114116.3 Ų116.353%0.52859%0.59SS.*  trans-75.1108.6173.5174.5-79.7000109.7D75 P79 A80D75-H77 PolarHBondContact O-N 2.91Å; H77-P79 CarbonylContact O-C 3.56Å; H77-A80 WeakPolarHBondContact O-CA 3.4Å; H77-A80 PolarHBondContact O-N 3.18Å; H77-A80 VanDerWaalsContact O-N 3.12Å
78W43.5Very low63.6Low81 Ų81108.3 Ų108.331%0.30756%0.561SS.*SBendtrans-79.4127170.2-173.6-122.6000109.9I76 A80 C92 M93 D94I76-W78 PolarHBondContact O-N 3.06Å; W78-A80 HydrophobicContact CE3-CB 4.33Å; W78-A80 VanDerWaalsContact CE3-N 3.28Å; W78-A80 HydrophobicContact CZ3-CB 4.36Å; W78-A80 VanDerWaalsContact CZ3-N 3.31Å; W78-C92 WeakPolarHBondContact CZ3-O 3.46Å; W78-M93 HydrophobicContact CE3-CB 4.36Å; W78-M93 HydrophobicContact CH2-CB 2.85Å; W78-M93 HydrophobicContact CH2-CG 4.26Å; W78-M93 HydrophobicContact CZ2-CB 3.36Å; W78-M93 HydrophobicContact CZ3-CB 3.49Å; W78-M93 VanDerWaalsContact CZ3-CB 3.49Å; W78-D94 HydrophobicContact CD2-CB 4.06Å; W78-D94 VanDerWaalsContact CE2-N 3.3Å; W78-D94 HydrophobicContact CG-CB 4.17Å; W78-D94 VanDerWaalsContact CZ2-N 3.32Å
79P51.6Low64.9Low66 Ų6698.9 Ų98.943%0.42953%0.526SS..SBendcis-79.6121.76.232.7-33.7000113H77 T81 R134H77-P79 CarbonylContact O-C 3.56Å; P79-T81 PolarHBondContact O-N 2.89Å; P79-R134 VanDerWaalsContact CB-NH1 3.28Å
80A57.2Low66.3Low24 Ų2497.3 Ų97.320%0.19852%0.519CS..PPolyproline II helixtrans-58.6117177.400000107.4H77 W78 C92H77-A80 WeakPolarHBondContact O-CA 3.4Å; H77-A80 PolarHBondContact O-N 3.18Å; H77-A80 VanDerWaalsContact O-N 3.12Å; W78-A80 HydrophobicContact CE3-CB 4.33Å; W78-A80 VanDerWaalsContact CE3-N 3.28Å; W78-A80 HydrophobicContact CZ3-CB 4.36Å; W78-A80 VanDerWaalsContact CZ3-N 3.31Å; A80-C92 HydrophobicContact CB-CB 4.4Å
81T63.6Low67.9Low94 Ų9491.6 Ų91.658%0.57749%0.49SS*.PPolyproline II helixtrans-59145.7177.9-63.70000107.8P79 H83P79-T81 PolarHBondContact O-N 2.89Å; T81-H83 PolarHBondContact O-CD2 3.21Å; T81-H83 PolarHBondContact O-N 3.48Å; T81-H83 VanDerWaalsContact O-N 3.14Å; T81-H83 PolarHBondContact O-NE2 3.06Å
82A73.2Confident69.6Low39 Ų3989.4 Ų89.432%0.32247%0.47SS..PPolyproline II helixtrans-63121.3176.500000109F89 V91 Y136A82-F89 HydrophobicContact CB-CE2 3.59Å; A82-F89 HydrophobicContact CB-CZ 3.72Å; A82-V91 HydrophobicContact CB-CG2 3.6Å; A82-Y136 HydrophobicContact CB-CD1 4.02Å
83H78.9Confident71.2Confident114 Ų11483.2 Ų83.253%0.52844%0.437SS..EExtended strand (participates in β ladder)trans-119.9136.6-174.1-66.6-63.2000110.5T81 Q90T81-H83 PolarHBondContact O-CD2 3.21Å; T81-H83 PolarHBondContact O-N 3.48Å; T81-H83 VanDerWaalsContact O-N 3.14Å; T81-H83 PolarHBondContact O-NE2 3.06Å; H83-Q90 PolarHBondContact N-O 3.21Å; H83-Q90 PolarHBondContact O-N 3.06Å
84V85.5Confident73Confident87 Ų8778.1 Ų78.153%0.52742%0.423SS..EExtended strand (participates in β ladder)trans-94.6109.1167.1178.30000107.4F89 P139 Y142V84-F89 HydrophobicContact CG2-CB 4.48Å; V84-F89 HydrophobicContact CG2-CD2 3.91Å; V84-P139 HydrophobicContact CG2-CB 4.21Å; V84-P139 HydrophobicContact CG2-CG 3.79Å; V84-Y142 HydrophobicContact CG1-CE2 4.32Å; V84-Y142 VanDerWaalsContact CG1-OH 3.32Å; V84-Y142 WeakPolarHBondContact CG1-OH 3.24Å
85G85.3Confident75.4Confident45 Ų4571 Ų7146%0.46439%0.385SS..  trans-104.8-166.5-179.900000113.1D87 G88G85-D87 VanDerWaalsContact C-N 3.31Å; G85-D87 PolarHBondContact O-N 2.84Å; G85-G88 PolarHBondContact N-O 3.12Å
86K84.5Confident77.6Confident183 Ų18366.5 Ų66.580%0.79637%0.366SS*.SBendtrans-63-38.3179-172.5-178.2176.4-169.50112.4
87D85Confident79.9Confident133 Ų13361.4 Ų61.471%0.71134%0.339SS*.SBendtrans-93.5-5.2-172.9-54.8-44.6000113.2G85 K163G85-D87 VanDerWaalsContact C-N 3.31Å; G85-D87 PolarHBondContact O-N 2.84Å; D87-K163 PolarHBondContact O-N 3.36Å; D87-K163 VanDerWaalsContact O-N 3.12Å
88G91.9Very high82.2Confident5 Ų557.3 Ų57.35%0.05232%0.319CS..EExtended strand (participates in β ladder)trans137-157.8177.600000113.2G85 I161G85-G88 PolarHBondContact N-O 3.12Å; G88-I161 CarbonylContact C-O 3.52Å; G88-I161 WeakPolarHBondContact CA-O 3.36Å
89F93.6Very high84.6Confident7 Ų757 Ų573%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-87.4134.7174.6173.6-105.1000109.8A82 V84 V91 I112 P139 Y142 S160 I161A82-F89 HydrophobicContact CB-CE2 3.59Å; A82-F89 HydrophobicContact CB-CZ 3.72Å; V84-F89 HydrophobicContact CG2-CB 4.48Å; V84-F89 HydrophobicContact CG2-CD2 3.91Å; F89-V91 HydrophobicContact CE1-CG2 3.97Å; F89-V91 HydrophobicContact CZ-CG2 3.76Å; F89-I112 HydrophobicContact CD1-CD1 4.43Å; F89-I112 HydrophobicContact CE1-CD1 3.88Å; F89-P139 HydrophobicContact CB-CG 4.07Å; F89-P139 HydrophobicContact CD2-CG 3.25Å; F89-P139 HydrophobicContact CE2-CG 3.66Å; F89-P139 HydrophobicContact CG-CG 3.71Å; F89-P139 HydrophobicContact CZ-CG 4.46Å; F89-Y142 HydrophobicContact CB-CD1 3.97Å; F89-Y142 HydrophobicContact CB-CE1 3.82Å; F89-Y142 VanDerWaalsContact N-CE1 3.31Å; F89-S160 CarbonylContact O-C 3.55Å; F89-S160 WeakPolarHBondContact O-CA 3.38Å; F89-I161 HydrophobicContact CB-CB 4.26Å; F89-I161 HydrophobicContact CD1-CD1 3.88Å; F89-I161 HydrophobicContact CD1-CG1 4.01Å; F89-I161 PolarHBondContact N-O 2.82Å; F89-I161 PolarHBondContact O-N 2.86Å
90Q93.3Very high86.8Confident92 Ų9258.5 Ų58.543%0.4333%0.33SS..EExtended strand (participates in β ladder)trans-144.9142.1-179.5-173.4173.9-21.400112.3H83 C92 T158 V159H83-Q90 PolarHBondContact N-O 3.21Å; H83-Q90 PolarHBondContact O-N 3.06Å; Q90-C92 PolarHBondContact NE2-SG 2.63Å; Q90-T158 HydrophobicContact CG-CG2 3.81Å; Q90-V159 WeakPolarHBondContact CA-O 3.33Å
91V91.9Very high88.6Confident1 Ų162.4 Ų62.41%0.00636%0.356CS..EExtended strand (participates in β ladder)trans-131.2129.5170.2-179.90000107.4A82 F89 M93 Y136 T158 V159A82-V91 HydrophobicContact CB-CG2 3.6Å; F89-V91 HydrophobicContact CE1-CG2 3.97Å; F89-V91 HydrophobicContact CZ-CG2 3.76Å; V91-M93 HydrophobicContact CG1-CE 3.99Å; V91-Y136 HydrophobicContact CG1-CD1 4.17Å; V91-Y136 HydrophobicContact CG1-CD2 4.33Å; V91-Y136 HydrophobicContact CG1-CE1 3.63Å; V91-Y136 HydrophobicContact CG1-CE2 3.82Å; V91-Y136 HydrophobicContact CG1-CG 4.48Å; V91-Y136 VanDerWaalsContact CG1-CZ 3.43Å; V91-Y136 HydrophobicContact CG2-CD1 3.84Å; V91-Y136 HydrophobicContact CG2-CD2 4.38Å; V91-Y136 HydrophobicContact CG2-CE1 4.13Å; V91-Y136 HydrophobicContact CG2-CG 3.96Å; V91-T158 CarbonylContact O-C 3.53Å; V91-T158 WeakPolarHBondContact O-CA 3.41Å; V91-V159 PolarHBondContact N-O 3.19Å; V91-V159 PolarHBondContact O-N 2.91Å
92C91.5Very high90.2Very high34 Ų3459 Ų5923%0.2333%0.333CS..EExtended strand (participates in β ladder)trans-111.5146172.6-66.20000109.1W78 A80 Q90 V156 L157 T158W78-C92 WeakPolarHBondContact CZ3-O 3.46Å; A80-C92 HydrophobicContact CB-CB 4.4Å; Q90-C92 PolarHBondContact NE2-SG 2.63Å; C92-V156 HydrophobicContact CB-CG1 4.15Å; C92-L157 CarbonylContact C-O 3.57Å; C92-L157 WeakPolarHBondContact CA-O 3.31Å; C92-T158 PolarHBondContact SG-OG1 2.66Å; C92-T158 VanDerWaalsContact SG-OG1 3.37Å
93M90.9Very high91.4Very high1 Ų158.5 Ų58.51%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-146129.6179.366.2-176.882.300117.3W78 V91 V95 V114 F132 Y136 V156 L157W78-M93 HydrophobicContact CE3-CB 4.36Å; W78-M93 HydrophobicContact CH2-CB 2.85Å; W78-M93 HydrophobicContact CH2-CG 4.26Å; W78-M93 HydrophobicContact CZ2-CB 3.36Å; W78-M93 HydrophobicContact CZ3-CB 3.49Å; W78-M93 VanDerWaalsContact CZ3-CB 3.49Å; V91-M93 HydrophobicContact CG1-CE 3.99Å; M93-V95 HydrophobicContact CG-CG1 3.83Å; M93-V95 PolarHBondContact O-N 3.2Å; M93-V95 HydrophobicContact SD-CG1 4.2Å; M93-V114 HydrophobicContact CE-CB 3.93Å; M93-V114 HydrophobicContact CE-CG1 3.88Å; M93-V114 HydrophobicContact CE-CG2 3.73Å; M93-V114 HydrophobicContact SD-CB 4.07Å; M93-V114 HydrophobicContact SD-CG1 3.48Å; M93-V114 WeakPolarHBondContact SD-CG1 3.26Å; M93-V114 HydrophobicContact SD-CG2 4.46Å; M93-F132 HydrophobicContact SD-CE2 4.26Å; M93-F132 HydrophobicContact SD-CZ 4.37Å; M93-Y136 HydrophobicContact CE-CE2 3.68Å; M93-V156 CarbonylContact O-C 3.46Å; M93-V156 VanDerWaalsContact O-CA 3.3Å; M93-V156 WeakPolarHBondContact O-CA 3.33Å; M93-L157 HydrophobicContact CG-CB 3.62Å; M93-L157 HydrophobicContact CG-CD2 4Å; M93-L157 HydrophobicContact CG-CG 4.01Å; M93-L157 WeakPolarHBondContact CG-O 3.38Å; M93-L157 PolarHBondContact N-O 3.03Å; M93-L157 PolarHBondContact O-N 3.37Å; M93-L157 HydrophobicContact SD-CD2 3.97Å
94D91.8Very high92.3Very high74 Ų7456.2 Ų56.240%0.39632%0.317SS..EExtended strand (participates in β ladder)trans-71.1117.5168.9177.712.9000109.7W78 A96W78-D94 HydrophobicContact CD2-CB 4.06Å; W78-D94 VanDerWaalsContact CE2-N 3.3Å; W78-D94 HydrophobicContact CG-CB 4.17Å; W78-D94 VanDerWaalsContact CZ2-N 3.32Å; D94-A96 VanDerWaalsContact OD1-CB 3.25Å; D94-A96 WeakPolarHBondContact OD1-CB 3.24Å; D94-A96 PolarHBondContact OD1-N 2.76Å
95V94.4Very high92.9Very high3 Ų354 Ų542%0.01830%0.303CS..  trans-132.523.5178.3-67.30000110.1M93 Q97 F98 L103 F132 L151 G155 L157M93-V95 HydrophobicContact CG-CG1 3.83Å; M93-V95 PolarHBondContact O-N 3.2Å; M93-V95 HydrophobicContact SD-CG1 4.2Å; V95-Q97 PolarHBondContact O-N 2.98Å; V95-F98 HydrophobicContact CB-CD2 4.35Å; V95-F98 PolarHBondContact O-N 2.78Å; V95-L103 HydrophobicContact CB-CD1 4.09Å; V95-L103 HydrophobicContact CB-CD2 4.06Å; V95-L103 HydrophobicContact CG1-CD2 4.06Å; V95-L103 HydrophobicContact CG2-CD1 3.71Å; V95-F132 HydrophobicContact CG1-CE1 4.04Å; V95-F132 HydrophobicContact CG1-CZ 3.78Å; V95-L151 HydrophobicContact CG2-CD1 3.62Å; V95-G155 CarbonylContact C-O 3.49Å; V95-G155 VanDerWaalsContact CG2-O 3.25Å; V95-G155 WeakPolarHBondContact CG2-O 3.48Å; V95-G155 PolarHBondContact N-O 2.84Å; V95-L157 HydrophobicContact CG1-CB 4.43Å; V95-L157 HydrophobicContact CG2-CB 3.67Å
96A92.7Very high93.4Very high36 Ų3657.2 Ų57.230%0.29831%0.305SS..THydrogen-bonded Turntrans-58.4-21-177.300000113.7D94 F98 G155D94-A96 VanDerWaalsContact OD1-CB 3.25Å; D94-A96 WeakPolarHBondContact OD1-CB 3.24Å; D94-A96 PolarHBondContact OD1-N 2.76Å; A96-F98 VanDerWaalsContact C-N 3.27Å; A96-F98 PolarHBondContact O-N 2.82Å; A96-G155 PolarHBondContact N-O 3.1Å
97Q91.3Very high94Very high57 Ų5751.6 Ų51.627%0.26629%0.285SS..THydrogen-bonded Turntrans-82.51.4176-65.6165.93300113.9P19 Y21 V95 R130P19-Q97 VanDerWaalsContact CB-NE2 3.28Å; P19-Q97 VanDerWaalsContact CG-NE2 3.34Å; Y21-Q97 PolarHBondContact OH-OE1 3.15Å; V95-Q97 PolarHBondContact O-N 2.98Å; Q97-R130 VanDerWaalsContact OE1-CD 3.31Å
98F94.6Very high94.5Very high27 Ų2748.1 Ų48.112%0.11827%0.269CS..SBendtrans-120.9139.4-178.7-65.8-92.7000110.2V95 A96 E102 L103 G116 H118 R130 F132V95-F98 HydrophobicContact CB-CD2 4.35Å; V95-F98 PolarHBondContact O-N 2.78Å; A96-F98 VanDerWaalsContact C-N 3.27Å; A96-F98 PolarHBondContact O-N 2.82Å; F98-E102 WeakPolarHBondContact CA-OE2 3.37Å; F98-E102 HydrophobicContact CB-CB 4.42Å; F98-E102 HydrophobicContact CD1-CB 4.33Å; F98-L103 HydrophobicContact CB-CD1 4.48Å; F98-L103 HydrophobicContact CB-CD2 3.72Å; F98-L103 HydrophobicContact CB-CG 4.02Å; F98-L103 HydrophobicContact CG-CD2 4.04Å; F98-G116 WeakPolarHBondContact CE1-O 3.29Å; F98-H118 HydrophobicContact CD1-CB 3.97Å; F98-H118 HydrophobicContact CE1-CB 3.82Å; F98-R130 HydrophobicContact CE1-CB 4.01Å; F98-R130 HydrophobicContact CZ-CB 3.66Å; F98-F132 HydrophobicContact CD2-CD1 4.38Å; F98-F132 AromaticContact CD2-CE1 3.91Å; F98-F132 HydrophobicContact CD2-CE1 3.91Å; F98-F132 HydrophobicContact CE1-CD1 4.13Å; F98-F132 HydrophobicContact CE1-CE1 4.27Å; F98-F132 AromaticContact CE2-CD1 3.62Å; F98-F132 HydrophobicContact CE2-CD1 3.62Å; F98-F132 AromaticContact CE2-CE1 3.6Å; F98-F132 HydrophobicContact CE2-CE1 3.6Å; F98-F132 HydrophobicContact CG-CE1 4.38Å; F98-F132 AromaticContact CZ-CD1 3.47Å; F98-F132 HydrophobicContact CZ-CD1 3.47Å; F98-F132 VanDerWaalsContact CZ-CD1 3.47Å; F98-F132 AromaticContact CZ-CE1 3.8Å; F98-F132 HydrophobicContact CZ-CE1 3.8Å
99K94.4Very high94.5Very high76 Ų7654.1 Ų54.133%0.3330%0.3SS..  trans-70.6151.8169.4-61.8-171172.1-157.50109.7D11 S101 E102D11-K99 WeakPolarHBondContact OD2-CE 3.43Å; D11-K99 IonicContact OD2-NZ 3.1Å; D11-K99 PolarHBondContact OD2-NZ 2.95Å; K99-S101 PolarHBondContact O-N 3.01Å; K99-S101 VanDerWaalsContact O-N 3.1Å; K99-E102 HydrophobicContact CB-CB 4.49Å; K99-E102 HydrophobicContact CB-CG 4Å; K99-E102 PolarHBondContact N-OE2 3.37Å; K99-E102 WeakPolarHBondContact O-CA 3.41Å; K99-E102 WeakPolarHBondContact O-CB 2.8Å; K99-E102 PolarHBondContact O-N 2.98Å
100P96.4Very high94.4Very high96 Ų9659.4 Ų59.462%0.62333%0.328SS*.G310 helixtrans-53.8-34.3174.2-25.532.7000113.3E102 L103 L151P100-E102 PolarHBondContact O-N 2.95Å; P100-L103 PolarHBondContact O-N 3.26Å; P100-L151 HydrophobicContact CB-CD2 3.86Å; P100-L151 HydrophobicContact CG-CD2 3.72Å
101S96.7Very high94.4Very high107 Ų10755.3 Ų55.375%0.74831%0.31SS*.G310 helixtrans-71-14.4176.557.20000114.7K99K99-S101 PolarHBondContact O-N 3.01Å; K99-S101 VanDerWaalsContact O-N 3.1Å
102E96.8Very high94.6Very high21 Ų2155.3 Ų55.310%0.09831%0.31CS..G310 helixtrans-93.6-5.9179.2-67.1169.9178.400112.2F98 K99 P100 G116 K117 H118 R121F98-E102 WeakPolarHBondContact CA-OE2 3.37Å; F98-E102 HydrophobicContact CB-CB 4.42Å; F98-E102 HydrophobicContact CD1-CB 4.33Å; K99-E102 HydrophobicContact CB-CB 4.49Å; K99-E102 HydrophobicContact CB-CG 4Å; K99-E102 PolarHBondContact N-OE2 3.37Å; K99-E102 WeakPolarHBondContact O-CA 3.41Å; K99-E102 WeakPolarHBondContact O-CB 2.8Å; K99-E102 PolarHBondContact O-N 2.98Å; P100-E102 PolarHBondContact O-N 2.95Å; E102-G116 WeakPolarHBondContact O-CA 3.29Å; E102-K117 VanDerWaalsContact CB-O 3.32Å; E102-K117 WeakPolarHBondContact CB-O 3.39Å; E102-K117 WeakPolarHBondContact CG-O 3.41Å; E102-K117 PolarHBondContact O-N 3.27Å; E102-H118 IonicContact OE1-ND1 3.37Å; E102-H118 PolarHBondContact OE1-ND1 3.26Å; E102-H118 IonicContact OE2-CG 3.79Å; E102-H118 IonicContact OE2-ND1 3.03Å; E102-H118 PolarHBondContact OE2-ND1 2.82Å; E102-R121 IonicContact OE1-CZ 2.7Å; E102-R121 IonicContact OE1-NH1 2.71Å; E102-R121 PolarHBondContact OE1-NH1 3.08Å; E102-R121 IonicContact OE1-NH2 2.69Å; E102-R121 PolarHBondContact OE1-NH2 3.38Å
103L98Very high94.8Very high30 Ų3056 Ų5616%0.15731%0.311CS..EExtended strand (participates in β ladder)trans-101.9140.4-177.3-63.2173000111V95 F98 P100 E115 F132 L151V95-L103 HydrophobicContact CB-CD1 4.09Å; V95-L103 HydrophobicContact CB-CD2 4.06Å; V95-L103 HydrophobicContact CG1-CD2 4.06Å; V95-L103 HydrophobicContact CG2-CD1 3.71Å; F98-L103 HydrophobicContact CB-CD1 4.48Å; F98-L103 HydrophobicContact CB-CD2 3.72Å; F98-L103 HydrophobicContact CB-CG 4.02Å; F98-L103 HydrophobicContact CG-CD2 4.04Å; P100-L103 PolarHBondContact O-N 3.26Å; L103-E115 CarbonylContact C-O 3.55Å; L103-E115 WeakPolarHBondContact CA-O 3.43Å; L103-F132 HydrophobicContact CD2-CE1 4.21Å; L103-F132 HydrophobicContact CD2-CZ 4.16Å; L103-L151 HydrophobicContact CD1-CD1 4.35Å; L103-L151 HydrophobicContact CD1-CD2 4.1Å
104N98.1Very high95.1Very high65 Ų6555.9 Ų55.935%0.34831%0.311SS..EExtended strand (participates in β ladder)trans-138.3130.3177-158.6-35.4000110.5K106 V114 E115N104-K106 WeakPolarHBondContact ND2-CE 3.3Å; N104-K106 WeakPolarHBondContact OD1-CE 3.4Å; N104-K106 WeakPolarHBondContact OD1-CG 3.36Å; N104-V114 WeakPolarHBondContact O-CA 3.46Å; N104-E115 HydrophobicContact CB-CB 4.42Å; N104-E115 PolarHBondContact N-O 2.88Å; N104-E115 PolarHBondContact O-N 3.36Å
105V97.5Very high95.3Very high40 Ų4055.6 Ų55.624%0.24231%0.307CS..EExtended strand (participates in β ladder)trans-120.7123.5175.5-178.10000108.1I112 L113 V114 L157 V159V105-I112 HydrophobicContact CG1-CG2 3.96Å; V105-L113 WeakPolarHBondContact CA-O 3.45Å; V105-V114 HydrophobicContact CG1-CG2 4.28Å; V105-V114 HydrophobicContact CG2-CG1 4.09Å; V105-V114 HydrophobicContact CG2-CG2 4.17Å; V105-L157 HydrophobicContact CG2-CD2 3.99Å; V105-V159 HydrophobicContact CG1-CG1 4.39Å; V105-V159 HydrophobicContact CG1-CG2 4.27Å; V105-V159 HydrophobicContact CG2-CG2 4.34Å
106K97Very high95.5Very high113 Ų11355.4 Ų55.449%0.49131%0.306SS..EExtended strand (participates in β ladder)trans-134156.8179.3-63.7-179.9-177.3166.20110.8N104 I112 L113N104-K106 WeakPolarHBondContact ND2-CE 3.3Å; N104-K106 WeakPolarHBondContact OD1-CE 3.4Å; N104-K106 WeakPolarHBondContact OD1-CG 3.36Å; K106-I112 CarbonylContact O-C 3.56Å; K106-I112 WeakPolarHBondContact O-CA 3.44Å; K106-L113 PolarHBondContact N-O 2.84Å; K106-L113 PolarHBondContact O-N 2.87Å
107V96.4Very high95.7Very high65 Ų6559.3 Ų59.339%0.39432%0.316SS..EExtended strand (participates in β ladder)trans-105.4127.1168.2176.90000108.1S111 A144 V147V107-S111 CarbonylContact C-O 3.47Å; V107-S111 VanDerWaalsContact CA-O 3.29Å; V107-S111 WeakPolarHBondContact CA-O 3.43Å; V107-A144 HydrophobicContact CG1-CB 3.57Å; V107-V147 HydrophobicContact CG2-CB 4.16Å; V107-V147 HydrophobicContact CG2-CG1 4.43Å; V107-V147 HydrophobicContact CG2-CG2 3.87Å
108V95.2Very high95.9Very high60 Ų6057.4 Ų57.436%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-140.2125.8176.9-173.10000108.1D110 S111 L113V108-D110 PolarHBondContact O-N 3.02Å; V108-S111 PolarHBondContact N-O 2.8Å; V108-S111 WeakPolarHBondContact O-CA 3.48Å; V108-S111 VanDerWaalsContact O-CB 3.24Å; V108-S111 WeakPolarHBondContact O-CB 3.1Å; V108-S111 PolarHBondContact O-N 3.07Å; V108-L113 HydrophobicContact CB-CD1 3.75Å; V108-L113 HydrophobicContact CB-CD2 4.48Å; V108-L113 HydrophobicContact CG2-CD1 4Å; V108-L113 HydrophobicContact CG2-CD2 4.16Å
109D92.4Very high95.9Very high131 Ų13162.2 Ų62.270%0.70133%0.33SS*.THydrogen-bonded Turntrans44.862.5175.6-50.9-33.3000113.3S111D109-S111 PolarHBondContact O-N 2.72Å; D109-S111 PolarHBondContact O-OG 2.83Å; D109-S111 VanDerWaalsContact O-OG 3.08Å
110D90.8Very high95.9Very high118 Ų11865.1 Ų65.163%0.63134%0.344SS*.THydrogen-bonded Turntrans52.928.3-178.3-59-37.8000114.3V108 V138V108-D110 PolarHBondContact O-N 3.02Å; D110-V138 VanDerWaalsContact O-CB 3.29Å; D110-V138 WeakPolarHBondContact O-CB 3.43Å; D110-V138 WeakPolarHBondContact O-CG2 3.32Å; D110-V138 PolarHBondContact O-N 3.27Å
111S94.2Very high95.7Very high6 Ų664.9 Ų64.94%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-133.3142.2179.4-51.90000111V107 V108 D109 R135 Y136V107-S111 CarbonylContact C-O 3.47Å; V107-S111 VanDerWaalsContact CA-O 3.29Å; V107-S111 WeakPolarHBondContact CA-O 3.43Å; V108-S111 PolarHBondContact N-O 2.8Å; V108-S111 WeakPolarHBondContact O-CA 3.48Å; V108-S111 VanDerWaalsContact O-CB 3.24Å; V108-S111 WeakPolarHBondContact O-CB 3.1Å; V108-S111 PolarHBondContact O-N 3.07Å; D109-S111 PolarHBondContact O-N 2.72Å; D109-S111 PolarHBondContact O-OG 2.83Å; D109-S111 VanDerWaalsContact O-OG 3.08Å; S111-R135 PolarHBondContact OG-NE 2.99Å; S111-R135 PolarHBondContact OG-NH2 2.83Å; S111-Y136 CarbonylContact C-O 3.6Å; S111-Y136 VanDerWaalsContact CA-O 3.26Å; S111-Y136 WeakPolarHBondContact CA-O 3.44Å
112I95.2Very high95.5Very high1 Ų167.1 Ų67.11%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-89.1121.1171.2-51.3-179.9000107.7F89 V105 K106 V114 R135 Y136 V138 V147 V159 I161F89-I112 HydrophobicContact CD1-CD1 4.43Å; F89-I112 HydrophobicContact CE1-CD1 3.88Å; V105-I112 HydrophobicContact CG1-CG2 3.96Å; K106-I112 CarbonylContact O-C 3.56Å; K106-I112 WeakPolarHBondContact O-CA 3.44Å; I112-V114 HydrophobicContact CG2-CG2 4.08Å; I112-R135 CarbonylContact O-C 3.56Å; I112-R135 WeakPolarHBondContact O-CA 3.35Å; I112-Y136 PolarHBondContact N-O 3.25Å; I112-Y136 PolarHBondContact O-N 2.87Å; I112-V138 HydrophobicContact CD1-CG2 4.48Å; I112-V138 HydrophobicContact CG1-CG2 3.9Å; I112-V147 HydrophobicContact CD1-CG1 4.16Å; I112-V147 HydrophobicContact CD1-CG2 3.88Å; I112-V147 HydrophobicContact CG1-CG2 4.09Å; I112-V159 HydrophobicContact CD1-CG1 3.84Å; I112-V159 HydrophobicContact CG2-CG1 3.9Å; I112-I161 HydrophobicContact CD1-CD1 4.1Å; I112-I161 HydrophobicContact CD1-CG1 4.35Å
113L96.1Very high95Very high48 Ų4868.3 Ų68.325%0.25134%0.337SS..EExtended strand (participates in β ladder)trans-104.2124.4173-77.772.1000108.4V105 K106 V108 R134 R135V105-L113 WeakPolarHBondContact CA-O 3.45Å; K106-L113 PolarHBondContact N-O 2.84Å; K106-L113 PolarHBondContact O-N 2.87Å; V108-L113 HydrophobicContact CB-CD1 3.75Å; V108-L113 HydrophobicContact CB-CD2 4.48Å; V108-L113 HydrophobicContact CG2-CD1 4Å; V108-L113 HydrophobicContact CG2-CD2 4.16Å; L113-R134 WeakPolarHBondContact CA-O 3.34Å; L113-R135 HydrophobicContact CD1-CG 4.11Å; L113-R135 HydrophobicContact CG-CG 4.42Å
114V96.5Very high94.5Very high0 Ų074 Ų740%037%0.368CS..EExtended strand (participates in β ladder)trans-116.5116.7174.4-172.80000108.5M93 N104 V105 I112 F132 V133 R134 Y136 L157 V159M93-V114 HydrophobicContact CE-CB 3.93Å; M93-V114 HydrophobicContact CE-CG1 3.88Å; M93-V114 HydrophobicContact CE-CG2 3.73Å; M93-V114 HydrophobicContact SD-CB 4.07Å; M93-V114 HydrophobicContact SD-CG1 3.48Å; M93-V114 WeakPolarHBondContact SD-CG1 3.26Å; M93-V114 HydrophobicContact SD-CG2 4.46Å; N104-V114 WeakPolarHBondContact O-CA 3.46Å; V105-V114 HydrophobicContact CG1-CG2 4.28Å; V105-V114 HydrophobicContact CG2-CG1 4.09Å; V105-V114 HydrophobicContact CG2-CG2 4.17Å; I112-V114 HydrophobicContact CG2-CG2 4.08Å; V114-F132 HydrophobicContact CB-CE2 4.48Å; V114-F132 HydrophobicContact CG1-CE2 4.01Å; V114-F132 HydrophobicContact CG1-CZ 4.27Å; V114-F132 WeakPolarHBondContact O-CE2 3.3Å; V114-V133 CarbonylContact O-C 3.47Å; V114-V133 WeakPolarHBondContact O-CA 3.42Å; V114-R134 PolarHBondContact N-O 2.92Å; V114-R134 PolarHBondContact O-N 2.75Å; V114-Y136 HydrophobicContact CG2-CE2 4.32Å; V114-L157 HydrophobicContact CG1-CD2 3.59Å; V114-V159 HydrophobicContact CG2-CG2 4.23Å
115E97.5Very high94.1Very high67 Ų6779.4 Ų79.431%0.31339%0.39SS..EExtended strand (participates in β ladder)trans-115.3133.7179.9176.8173.4-144.600109.5L103 N104 H131 F132 V133L103-E115 CarbonylContact C-O 3.55Å; L103-E115 WeakPolarHBondContact CA-O 3.43Å; N104-E115 HydrophobicContact CB-CB 4.42Å; N104-E115 PolarHBondContact N-O 2.88Å; N104-E115 PolarHBondContact O-N 3.36Å; E115-H131 IonicContact OE1-CD2 3.85Å; E115-H131 IonicContact OE1-CE1 3.72Å; E115-H131 IonicContact OE1-NE2 2.84Å; E115-H131 PolarHBondContact OE1-NE2 3.22Å; E115-F132 VanDerWaalsContact CA-O 3.3Å; E115-F132 WeakPolarHBondContact CA-O 3.4Å; E115-V133 HydrophobicContact CB-CG2 4.34Å; E115-V133 HydrophobicContact CG-CG2 4.09Å
116G97.5Very high93.8Very high0 Ų078.8 Ų78.80%039%0.392CS..EExtended strand (participates in β ladder)trans-125123.3167.700000109.3F98 E102 H131 F132F98-G116 WeakPolarHBondContact CE1-O 3.29Å; E102-G116 WeakPolarHBondContact O-CA 3.29Å; G116-H131 CarbonylContact O-C 3.58Å; G116-H131 VanDerWaalsContact O-CA 3.32Å; G116-H131 WeakPolarHBondContact O-CA 3.38Å; G116-H131 PolarHBondContact O-CD2 3.32Å; G116-F132 VanDerWaalsContact CA-CE1 3.47Å; G116-F132 PolarHBondContact N-O 2.89Å; G116-F132 PolarHBondContact O-N 3.3Å
117K97.5Very high93.6Very high118 Ų11879.4 Ų79.451%0.51340%0.397SS..EExtended strand (participates in β ladder)trans-128.1105.4-177.5-171.6-177.3179.1-172.20110.9E102E102-K117 VanDerWaalsContact CB-O 3.32Å; E102-K117 WeakPolarHBondContact CB-O 3.39Å; E102-K117 WeakPolarHBondContact CG-O 3.41Å; E102-K117 PolarHBondContact O-N 3.27Å
118H94.5Very high93.4Very high17 Ų1778.2 Ų78.28%0.07939%0.387CS..EExtended strand (participates in β ladder)trans-100.6113.7174.4-175.887.9000109F98 E102 R121 M129 R130F98-H118 HydrophobicContact CD1-CB 3.97Å; F98-H118 HydrophobicContact CE1-CB 3.82Å; E102-H118 IonicContact OE1-ND1 3.37Å; E102-H118 PolarHBondContact OE1-ND1 3.26Å; E102-H118 IonicContact OE2-CG 3.79Å; E102-H118 IonicContact OE2-ND1 3.03Å; E102-H118 PolarHBondContact OE2-ND1 2.82Å; H118-R121 PolarHBondContact CE1-NH1 2.81Å; H118-M129 WeakPolarHBondContact O-CG 3.07Å; H118-R130 HydrophobicContact CB-CB 4.01Å; H118-R130 PolarHBondContact N-O 2.82Å; H118-R130 PolarHBondContact O-N 2.95Å; H118-R130 VanDerWaalsContact O-N 3.11Å
119E95Very high93.4Very high128 Ų12881.6 Ų81.660%0.59840%0.401SS*.EExtended strand (participates in β ladder)trans-64.5161.8175-64-176.3160.800111.5R121E119-R121 PolarHBondContact O-N 2.76Å; E119-R121 VanDerWaalsContact O-N 3.16Å
120E95.6Very high93.5Very high136 Ų13677.5 Ų77.564%0.63638%0.375SS*.EExtended strand (participates in β ladder)trans-60.1119.9179.3-171.9172-15800111H127 I128 M129E120-H127 HydrophobicContact CG-CB 3.99Å; E120-H127 WeakPolarHBondContact OE1-CB 3.25Å; E120-I128 WeakPolarHBondContact CA-O 3.46Å; E120-M129 HydrophobicContact CB-CB 4.32Å
121R91.4Very high93.7Very high92 Ų9277 Ų7735%0.34737%0.369SS..EExtended strand (participates in β ladder)trans-137.7159.6174.4-64.3-172.3-164.1129.810.5110.2E102 H118 E119 H127 I128E102-R121 IonicContact OE1-CZ 2.7Å; E102-R121 IonicContact OE1-NH1 2.71Å; E102-R121 PolarHBondContact OE1-NH1 3.08Å; E102-R121 IonicContact OE1-NH2 2.69Å; E102-R121 PolarHBondContact OE1-NH2 3.38Å; H118-R121 PolarHBondContact CE1-NH1 2.81Å; E119-R121 PolarHBondContact O-N 2.76Å; E119-R121 VanDerWaalsContact O-N 3.16Å; R121-H127 CarbonylContact O-C 3.58Å; R121-H127 WeakPolarHBondContact O-CA 3.25Å; R121-I128 PolarHBondContact N-O 2.76Å; R121-I128 PolarHBondContact O-N 3.05Å
122Q91.5Very high93.8Very high154 Ų15478.5 Ų78.572%0.7238%0.375SS*.EExtended strand (participates in β ladder)trans-78.3129.4174.7-163.5163.91.800109.9G126Q122-G126 CarbonylContact C-O 3.47Å; Q122-G126 WeakPolarHBondContact CA-O 3.31Å; Q122-G126 WeakPolarHBondContact CG-O 3.4Å
123D86.5Confident93.8Very high45 Ų4582.5 Ų82.524%0.24140%0.399CS..EExtended strand (participates in β ladder)trans-120.2-175.1169.674.91000110.5H125 G126 I128 R130D123-H125 PolarHBondContact O-N 3.22Å; D123-H125 WeakPolarHBondContact OD1-CA 3.46Å; D123-H125 PolarHBondContact OD1-N 2.96Å; D123-G126 PolarHBondContact N-O 2.83Å; D123-G126 PolarHBondContact O-N 2.98Å; D123-G126 PolarHBondContact OD1-N 2.47Å; D123-G126 VanDerWaalsContact OD1-N 3.17Å; D123-I128 HydrophobicContact CB-CG2 3.85Å; D123-I128 VanDerWaalsContact OD2-CG2 3.25Å; D123-I128 WeakPolarHBondContact OD2-CG2 3.3Å; D123-R130 IonicContact OD2-NH2 3.84Å
124D88Confident93.7Very high151 Ų15183.9 Ų83.981%0.80740%0.401SS*.THydrogen-bonded Turntrans-60.5-14.7-178.8-63.2-31.4000113.9
125H89Confident93.6Very high177 Ų17791.2 Ų91.282%0.81943%0.429SS*.THydrogen-bonded Turntrans-1143.1-174.6-58.9-54.6000113.9D123D123-H125 PolarHBondContact O-N 3.22Å; D123-H125 WeakPolarHBondContact OD1-CA 3.46Å; D123-H125 PolarHBondContact OD1-N 2.96Å
126G93Very high93.4Very high27 Ų2789.5 Ų89.528%0.27842%0.42SS..EExtended strand (participates in β ladder)trans126.5-134.6-178.900000111Q122 D123Q122-G126 CarbonylContact C-O 3.47Å; Q122-G126 WeakPolarHBondContact CA-O 3.31Å; Q122-G126 WeakPolarHBondContact CG-O 3.4Å; D123-G126 PolarHBondContact N-O 2.83Å; D123-G126 PolarHBondContact O-N 2.98Å; D123-G126 PolarHBondContact OD1-N 2.47Å; D123-G126 VanDerWaalsContact OD1-N 3.17Å
127H92.8Very high93.2Very high127 Ų12796.6 Ų96.659%0.58845%0.45SS*.EExtended strand (participates in β ladder)trans-102.3133.3175.8-65-79.6000110.1E120 R121E120-H127 HydrophobicContact CG-CB 3.99Å; E120-H127 WeakPolarHBondContact OE1-CB 3.25Å; R121-H127 CarbonylContact O-C 3.58Å; R121-H127 WeakPolarHBondContact O-CA 3.25Å
128I91.7Very high93Very high39 Ų3991.3 Ų91.320%0.243%0.428CS..EExtended strand (participates in β ladder)trans-128.4133.7-179.7-168135.9000111.4E120 R121 D123 R130E120-I128 WeakPolarHBondContact CA-O 3.46Å; R121-I128 PolarHBondContact N-O 2.76Å; R121-I128 PolarHBondContact O-N 3.05Å; D123-I128 HydrophobicContact CB-CG2 3.85Å; D123-I128 VanDerWaalsContact OD2-CG2 3.25Å; D123-I128 WeakPolarHBondContact OD2-CG2 3.3Å; I128-R130 HydrophobicContact CG1-CG 3.97Å
129M94.8Very high92.9Very high131 Ų13192 Ų9265%0.64543%0.434SS*.EExtended strand (participates in β ladder)trans-124.2134.6168.3-170.8-17486.100107.9H118 E120H118-M129 WeakPolarHBondContact O-CG 3.07Å; E120-M129 HydrophobicContact CB-CB 4.32Å
130R93.7Very high92.8Very high45 Ų4592.8 Ų92.817%0.1744%0.443CS..EExtended strand (participates in β ladder)trans-129.5134.3178.7-54.8-179.2178.591.2-4.7109.8Y21 Q97 F98 H118 D123 I128Y21-R130 PolarHBondContact OH-NE 2.77Å; Q97-R130 VanDerWaalsContact OE1-CD 3.31Å; F98-R130 HydrophobicContact CE1-CB 4.01Å; F98-R130 HydrophobicContact CZ-CB 3.66Å; H118-R130 HydrophobicContact CB-CB 4.01Å; H118-R130 PolarHBondContact N-O 2.82Å; H118-R130 PolarHBondContact O-N 2.95Å; H118-R130 VanDerWaalsContact O-N 3.11Å; D123-R130 IonicContact OD2-NH2 3.84Å; I128-R130 HydrophobicContact CG1-CG 3.97Å
131H96.9Very high92.5Very high108 Ų10889.3 Ų89.350%0.544%0.443SS..EExtended strand (participates in β ladder)trans-141.7131173.5-178-151000109.3E115 G116E115-H131 IonicContact OE1-CD2 3.85Å; E115-H131 IonicContact OE1-CE1 3.72Å; E115-H131 IonicContact OE1-NE2 2.84Å; E115-H131 PolarHBondContact OE1-NE2 3.22Å; G116-H131 CarbonylContact O-C 3.58Å; G116-H131 VanDerWaalsContact O-CA 3.32Å; G116-H131 WeakPolarHBondContact O-CA 3.38Å; G116-H131 PolarHBondContact O-CD2 3.32Å
132F95.9Very high92.6Very high38 Ų3886.5 Ų86.517%0.16743%0.433CS..EExtended strand (participates in β ladder)trans-135.8150.7169.979-96.3000110.9M93 V95 F98 L103 V114 E115 G116 R134M93-F132 HydrophobicContact SD-CE2 4.26Å; M93-F132 HydrophobicContact SD-CZ 4.37Å; V95-F132 HydrophobicContact CG1-CE1 4.04Å; V95-F132 HydrophobicContact CG1-CZ 3.78Å; F98-F132 HydrophobicContact CD2-CD1 4.38Å; F98-F132 AromaticContact CD2-CE1 3.91Å; F98-F132 HydrophobicContact CD2-CE1 3.91Å; F98-F132 HydrophobicContact CE1-CD1 4.13Å; F98-F132 HydrophobicContact CE1-CE1 4.27Å; F98-F132 AromaticContact CE2-CD1 3.62Å; F98-F132 HydrophobicContact CE2-CD1 3.62Å; F98-F132 AromaticContact CE2-CE1 3.6Å; F98-F132 HydrophobicContact CE2-CE1 3.6Å; F98-F132 HydrophobicContact CG-CE1 4.38Å; F98-F132 AromaticContact CZ-CD1 3.47Å; F98-F132 HydrophobicContact CZ-CD1 3.47Å; F98-F132 VanDerWaalsContact CZ-CD1 3.47Å; F98-F132 AromaticContact CZ-CE1 3.8Å; F98-F132 HydrophobicContact CZ-CE1 3.8Å; L103-F132 HydrophobicContact CD2-CE1 4.21Å; L103-F132 HydrophobicContact CD2-CZ 4.16Å; V114-F132 HydrophobicContact CB-CE2 4.48Å; V114-F132 HydrophobicContact CG1-CE2 4.01Å; V114-F132 HydrophobicContact CG1-CZ 4.27Å; V114-F132 WeakPolarHBondContact O-CE2 3.3Å; E115-F132 VanDerWaalsContact CA-O 3.3Å; E115-F132 WeakPolarHBondContact CA-O 3.4Å; G116-F132 VanDerWaalsContact CA-CE1 3.47Å; G116-F132 PolarHBondContact N-O 2.89Å; G116-F132 PolarHBondContact O-N 3.3Å; F132-R134 HydrophobicContact CD2-CG 3.99Å; F132-R134 HydrophobicContact CE2-CG 4.43Å
133V95.2Very high92.6Very high85 Ų8585.2 Ų85.252%0.51543%0.425SS..EExtended strand (participates in β ladder)trans-133.8125.5167.3-177.40000107.6V114 E115V114-V133 CarbonylContact O-C 3.47Å; V114-V133 WeakPolarHBondContact O-CA 3.42Å; E115-V133 HydrophobicContact CB-CG2 4.34Å; E115-V133 HydrophobicContact CG-CG2 4.09Å
134R93.6Very high92.9Very high76 Ų7684.1 Ų84.129%0.28742%0.422SS..EExtended strand (participates in β ladder)trans-123130175.6-68-177.2-172.5-162.49.4109.8P79 L113 V114 F132 Y136P79-R134 VanDerWaalsContact CB-NH1 3.28Å; L113-R134 WeakPolarHBondContact CA-O 3.34Å; V114-R134 PolarHBondContact N-O 2.92Å; V114-R134 PolarHBondContact O-N 2.75Å; F132-R134 HydrophobicContact CD2-CG 3.99Å; F132-R134 HydrophobicContact CE2-CG 4.43Å; R134-Y136 HydrophobicContact CB-CE2 3.82Å; R134-Y136 WeakPolarHBondContact CD-OH 3.42Å
135R94.2Very high93.1Very high154 Ų15485.8 Ų85.858%0.58143%0.425SS*.EExtended strand (participates in β ladder)trans-110.3128177.8-174.7179.3179.5168.97.6109.6S111 I112 L113S111-R135 PolarHBondContact OG-NE 2.99Å; S111-R135 PolarHBondContact OG-NH2 2.83Å; I112-R135 CarbonylContact O-C 3.56Å; I112-R135 WeakPolarHBondContact O-CA 3.35Å; L113-R135 HydrophobicContact CD1-CG 4.11Å; L113-R135 HydrophobicContact CG-CG 4.42Å
136Y93.6Very high93.3Very high32 Ų3280.9 Ų80.913%0.12540%0.403CS..EExtended strand (participates in β ladder)trans-117.6124.9173.2-55.8-82.4000108.9A82 V91 M93 S111 I112 V114 R134 V138A82-Y136 HydrophobicContact CB-CD1 4.02Å; V91-Y136 HydrophobicContact CG1-CD1 4.17Å; V91-Y136 HydrophobicContact CG1-CD2 4.33Å; V91-Y136 HydrophobicContact CG1-CE1 3.63Å; V91-Y136 HydrophobicContact CG1-CE2 3.82Å; V91-Y136 HydrophobicContact CG1-CG 4.48Å; V91-Y136 VanDerWaalsContact CG1-CZ 3.43Å; V91-Y136 HydrophobicContact CG2-CD1 3.84Å; V91-Y136 HydrophobicContact CG2-CD2 4.38Å; V91-Y136 HydrophobicContact CG2-CE1 4.13Å; V91-Y136 HydrophobicContact CG2-CG 3.96Å; M93-Y136 HydrophobicContact CE-CE2 3.68Å; S111-Y136 CarbonylContact C-O 3.6Å; S111-Y136 VanDerWaalsContact CA-O 3.26Å; S111-Y136 WeakPolarHBondContact CA-O 3.44Å; I112-Y136 PolarHBondContact N-O 3.25Å; I112-Y136 PolarHBondContact O-N 2.87Å; V114-Y136 HydrophobicContact CG2-CE2 4.32Å; R134-Y136 HydrophobicContact CB-CE2 3.82Å; R134-Y136 WeakPolarHBondContact CD-OH 3.42Å; Y136-V138 PolarHBondContact O-N 2.9Å
137K93.3Very high93.4Very high148 Ų14881.1 Ų81.164%0.64340%0.399SS*.EExtended strand (participates in β ladder)trans-69.2131.7173.4-171.4-177.6175-169.30108.8
138V93.4Very high93.6Very high8 Ų878.4 Ų78.45%0.04839%0.391CS..PPolyproline II helixtrans-67.6128.7171.5176.40000108.1D110 I112 Y136 A144 I161D110-V138 VanDerWaalsContact O-CB 3.29Å; D110-V138 WeakPolarHBondContact O-CB 3.43Å; D110-V138 WeakPolarHBondContact O-CG2 3.32Å; D110-V138 PolarHBondContact O-N 3.27Å; I112-V138 HydrophobicContact CD1-CG2 4.48Å; I112-V138 HydrophobicContact CG1-CG2 3.9Å; Y136-V138 PolarHBondContact O-N 2.9Å; V138-A144 HydrophobicContact CG2-CB 4.25Å; V138-I161 HydrophobicContact CB-CD1 4.36Å; V138-I161 HydrophobicContact CG1-CD1 3.65Å; V138-I161 HydrophobicContact CG2-CD1 3.97Å
139P92.5Very high93.8Very high32 Ų3279.5 Ų79.521%0.20840%0.402CS..PPolyproline II helixtrans-64.1152.3177.9-18.629.9000112V84 F89 G141 Y142V84-P139 HydrophobicContact CG2-CB 4.21Å; V84-P139 HydrophobicContact CG2-CG 3.79Å; F89-P139 HydrophobicContact CB-CG 4.07Å; F89-P139 HydrophobicContact CD2-CG 3.25Å; F89-P139 HydrophobicContact CE2-CG 3.66Å; F89-P139 HydrophobicContact CG-CG 3.71Å; F89-P139 HydrophobicContact CZ-CG 4.46Å; P139-G141 PolarHBondContact O-N 2.88Å; P139-Y142 HydrophobicContact CB-CD2 3.78Å; P139-Y142 HydrophobicContact CB-CE2 4.21Å; P139-Y142 HydrophobicContact CG-CD2 4.25Å; P139-Y142 WeakPolarHBondContact O-CB 3.38Å; P139-Y142 PolarHBondContact O-N 3.06Å
140D91.3Very high93.9Very high144 Ų14479.4 Ų79.477%0.7740%0.4SS*.THydrogen-bonded Turntrans-59.7138.5179.7-56.4-34.3000111.1Y142D140-Y142 VanDerWaalsContact C-N 3.27Å; D140-Y142 PolarHBondContact O-N 3.48Å
141G90.7Very high94.1Very high63 Ų6380.7 Ų80.765%0.64941%0.41SS*.THydrogen-bonded Turntrans84.7-14.8-177.700000115.2P139 P164P139-G141 PolarHBondContact O-N 2.88Å; G141-P164 WeakPolarHBondContact O-CG 3.48Å
142Y93.2Very high93.9Very high32 Ų3277.7 Ų77.713%0.12540%0.401CS..  trans-81.7140.1172.7-74.2-102.7000110.8V84 F89 P139 D140 I161 P162 P164V84-Y142 HydrophobicContact CG1-CE2 4.32Å; V84-Y142 VanDerWaalsContact CG1-OH 3.32Å; V84-Y142 WeakPolarHBondContact CG1-OH 3.24Å; F89-Y142 HydrophobicContact CB-CD1 3.97Å; F89-Y142 HydrophobicContact CB-CE1 3.82Å; F89-Y142 VanDerWaalsContact N-CE1 3.31Å; P139-Y142 HydrophobicContact CB-CD2 3.78Å; P139-Y142 HydrophobicContact CB-CE2 4.21Å; P139-Y142 HydrophobicContact CG-CD2 4.25Å; P139-Y142 WeakPolarHBondContact O-CB 3.38Å; P139-Y142 PolarHBondContact O-N 3.06Å; D140-Y142 VanDerWaalsContact C-N 3.27Å; D140-Y142 PolarHBondContact O-N 3.48Å; Y142-I161 HydrophobicContact CD1-CB 3.83Å; Y142-I161 HydrophobicContact CD1-CG2 3.71Å; Y142-I161 HydrophobicContact CG-CG2 4.42Å; Y142-P162 WeakPolarHBondContact CD1-O 3.2Å; Y142-P162 WeakPolarHBondContact CE1-O 3.36Å; Y142-P164 HydrophobicContact CD1-CG 4.26Å; Y142-P164 HydrophobicContact CD2-CG 4.17Å; Y142-P164 HydrophobicContact CE1-CG 4.44Å; Y142-P164 HydrophobicContact CE2-CG 4.34Å; Y142-P164 HydrophobicContact CG-CG 4.13Å
143K91.8Very high93.8Very high127 Ų12781.5 Ų81.555%0.55243%0.432SS*.  trans-92.5119.7179.2-66.2-175.8179-175.50109.9E145 Q146 I161K143-E145 PolarHBondContact O-N 3.26Å; K143-Q146 HydrophobicContact CB-CG 3.99Å; K143-Q146 WeakPolarHBondContact O-CB 3.44Å; K143-Q146 PolarHBondContact O-N 3Å; K143-I161 WeakPolarHBondContact O-CG2 3.26Å
144A91.6Very high93.5Very high22 Ų2281 Ų8118%0.18243%0.427CS..G310 helixtrans-64.8-22.8-179.500000113.1V107 V138 Q146 V147V107-A144 HydrophobicContact CG1-CB 3.57Å; V138-A144 HydrophobicContact CG2-CB 4.25Å; A144-Q146 PolarHBondContact O-N 2.67Å; A144-V147 WeakPolarHBondContact O-CB 3.25Å; A144-V147 WeakPolarHBondContact O-CG2 3.44Å; A144-V147 PolarHBondContact O-N 3.37Å
145E92.1Very high93.4Very high186 Ų18677.7 Ų77.787%0.86942%0.416SS*.G310 helixtrans-63-21.7171.6-62.1173.9-175.700113.5K143 V147K143-E145 PolarHBondContact O-N 3.26Å; E145-V147 VanDerWaalsContact C-N 3.34Å
146Q94.3Very high93.4Very high75 Ų7572.3 Ų72.335%0.3540%0.401SS..G310 helixtrans-94.39.3-178.5-59.8-178-35.300112.6K143 A144 V148 I161 P162K143-Q146 HydrophobicContact CB-CG 3.99Å; K143-Q146 WeakPolarHBondContact O-CB 3.44Å; K143-Q146 PolarHBondContact O-N 3Å; A144-Q146 PolarHBondContact O-N 2.67Å; Q146-V148 PolarHBondContact O-N 2.78Å; Q146-I161 HydrophobicContact CB-CG2 4.04Å; Q146-P162 HydrophobicContact CB-CG 3.83Å; Q146-P162 WeakPolarHBondContact O-CD 3.39Å
147V95.7Very high93.5Very high32 Ų3271.2 Ų71.219%0.19440%0.397CS..  trans-63.1127.3176172.90000109.8V107 I112 A144 E145 V159 S160 I161V107-V147 HydrophobicContact CG2-CB 4.16Å; V107-V147 HydrophobicContact CG2-CG1 4.43Å; V107-V147 HydrophobicContact CG2-CG2 3.87Å; I112-V147 HydrophobicContact CD1-CG1 4.16Å; I112-V147 HydrophobicContact CD1-CG2 3.88Å; I112-V147 HydrophobicContact CG1-CG2 4.09Å; A144-V147 WeakPolarHBondContact O-CB 3.25Å; A144-V147 WeakPolarHBondContact O-CG2 3.44Å; A144-V147 PolarHBondContact O-N 3.37Å; E145-V147 VanDerWaalsContact C-N 3.34Å; V147-V159 HydrophobicContact CG1-CG1 3.72Å; V147-S160 WeakPolarHBondContact CA-O 3.41Å; V147-I161 HydrophobicContact CB-CG1 4.4Å; V147-I161 HydrophobicContact CG2-CD1 3.69Å; V147-I161 HydrophobicContact CG2-CG1 3.57Å
148V96.5Very high93.6Very high70 Ų7065.6 Ų65.642%0.42438%0.375SS..EExtended strand (participates in β ladder)trans-124.1139.5174.2-179.70000108.8Q146 Q150 V159 S160Q146-V148 PolarHBondContact O-N 2.78Å; V148-Q150 HydrophobicContact CG1-CG 4.47Å; V148-V159 WeakPolarHBondContact O-CA 3.42Å; V148-S160 PolarHBondContact N-O 2.69Å; V148-S160 PolarHBondContact O-N 2.7Å
149S96.3Very high93.7Very high62 Ų6265.2 Ų65.243%0.43437%0.373SS..EExtended strand (participates in β ladder)trans-120143.817465.70000111T158S149-T158 CarbonylContact C-O 3.16Å; S149-T158 VanDerWaalsContact CA-O 3.3Å; S149-T158 WeakPolarHBondContact CA-O 3.21Å
150Q96.5Very high93.8Very high129 Ų12965.2 Ų65.260%0.60337%0.373SS*.EExtended strand (participates in β ladder)trans-139.7132.7178.7-62-179.912.600108.6V148 L157 T158V148-Q150 HydrophobicContact CG1-CG 4.47Å; Q150-L157 CarbonylContact O-C 3.54Å; Q150-L157 WeakPolarHBondContact O-CA 3.33Å; Q150-T158 PolarHBondContact N-O 3.37Å; Q150-T158 PolarHBondContact O-N 3.11Å
151L96.5Very high94Very high71 Ų7158.4 Ų58.437%0.37234%0.337SS..EExtended strand (participates in β ladder)trans-109.8119.9175.3179.163.8000108.7V95 P100 L103 L157V95-L151 HydrophobicContact CG2-CD1 3.62Å; P100-L151 HydrophobicContact CB-CD2 3.86Å; P100-L151 HydrophobicContact CG-CD2 3.72Å; L103-L151 HydrophobicContact CD1-CD1 4.35Å; L103-L151 HydrophobicContact CD1-CD2 4.1Å; L151-L157 HydrophobicContact CD1-CB 4.05Å
152S94.2Very high94.2Very high46 Ų4658.2 Ų58.232%0.32232%0.324SS..  trans-80.6157.9175.660.50000111.6D154 G155 V156S152-D154 WeakPolarHBondContact CB-OD1 3.32Å; S152-D154 PolarHBondContact O-N 2.79Å; S152-D154 PolarHBondContact OG-OD1 3.41Å; S152-G155 PolarHBondContact O-N 2.9Å; S152-V156 PolarHBondContact N-O 2.91Å; S152-V156 WeakPolarHBondContact OG-CA 3.21Å; S152-V156 VanDerWaalsContact OG-CB 3.31Å; S152-V156 WeakPolarHBondContact OG-CB 3.3Å; S152-V156 PolarHBondContact OG-N 3.02Å; S152-V156 PolarHBondContact OG-O 3.17Å
153S92.6Very high94.1Very high117 Ų11762.8 Ų62.882%0.81835%0.345SS*.THydrogen-bonded Turntrans-66.1-22.1-177.754.90000114G155S153-G155 VanDerWaalsContact C-N 3.25Å
154D89.2Confident93.9Very high75 Ų7558.8 Ų58.840%0.40133%0.332SS..THydrogen-bonded Turntrans-83.72.8174.762.9-24.8000113.5R17 S152R17-D154 PolarHBondContact NH1-O 3.22Å; S152-D154 WeakPolarHBondContact CB-OD1 3.32Å; S152-D154 PolarHBondContact O-N 2.79Å; S152-D154 PolarHBondContact OG-OD1 3.41Å
155G91.7Very high93.3Very high7 Ų766.5 Ų66.57%0.07236%0.364CS..SBendtrans91.723.1173.200000114.7V95 A96 S152 S153V95-G155 CarbonylContact C-O 3.49Å; V95-G155 VanDerWaalsContact CG2-O 3.25Å; V95-G155 WeakPolarHBondContact CG2-O 3.48Å; V95-G155 PolarHBondContact N-O 2.84Å; A96-G155 PolarHBondContact N-O 3.1Å; S152-G155 PolarHBondContact O-N 2.9Å; S153-G155 VanDerWaalsContact C-N 3.25Å
156V94.7Very high92.3Very high41 Ų4161.6 Ų61.625%0.24836%0.355CS..EExtended strand (participates in β ladder)trans-102.8113.7177.2-173.20000110.7C92 M93 S152C92-V156 HydrophobicContact CB-CG1 4.15Å; M93-V156 CarbonylContact O-C 3.46Å; M93-V156 VanDerWaalsContact O-CA 3.3Å; M93-V156 WeakPolarHBondContact O-CA 3.33Å; S152-V156 PolarHBondContact N-O 2.91Å; S152-V156 WeakPolarHBondContact OG-CA 3.21Å; S152-V156 VanDerWaalsContact OG-CB 3.31Å; S152-V156 WeakPolarHBondContact OG-CB 3.3Å; S152-V156 PolarHBondContact OG-N 3.02Å; S152-V156 PolarHBondContact OG-O 3.17Å
157L95.9Very high90.6Very high8 Ų864.3 Ų64.34%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-84.7117.2172.1172.566000109.8C92 M93 V95 V105 V114 Q150 L151 V159C92-L157 CarbonylContact C-O 3.57Å; C92-L157 WeakPolarHBondContact CA-O 3.31Å; M93-L157 HydrophobicContact CG-CB 3.62Å; M93-L157 HydrophobicContact CG-CD2 4Å; M93-L157 HydrophobicContact CG-CG 4.01Å; M93-L157 WeakPolarHBondContact CG-O 3.38Å; M93-L157 PolarHBondContact N-O 3.03Å; M93-L157 PolarHBondContact O-N 3.37Å; M93-L157 HydrophobicContact SD-CD2 3.97Å; V95-L157 HydrophobicContact CG1-CB 4.43Å; V95-L157 HydrophobicContact CG2-CB 3.67Å; V105-L157 HydrophobicContact CG2-CD2 3.99Å; V114-L157 HydrophobicContact CG1-CD2 3.59Å; Q150-L157 CarbonylContact O-C 3.54Å; Q150-L157 WeakPolarHBondContact O-CA 3.33Å; L151-L157 HydrophobicContact CD1-CB 4.05Å; L157-V159 HydrophobicContact CD1-CG2 4.42Å; L157-V159 HydrophobicContact CD2-CG2 4.5Å; L157-V159 HydrophobicContact CG-CG2 4.18Å
158T94.3Very high88.8Confident30 Ų3070.4 Ų70.418%0.18440%0.403CS..EExtended strand (participates in β ladder)trans-103.2123.9172.9-62.30000109.6Q90 V91 C92 S149 Q150Q90-T158 HydrophobicContact CG-CG2 3.81Å; V91-T158 CarbonylContact O-C 3.53Å; V91-T158 WeakPolarHBondContact O-CA 3.41Å; C92-T158 PolarHBondContact SG-OG1 2.66Å; C92-T158 VanDerWaalsContact SG-OG1 3.37Å; S149-T158 CarbonylContact C-O 3.16Å; S149-T158 VanDerWaalsContact CA-O 3.3Å; S149-T158 WeakPolarHBondContact CA-O 3.21Å; Q150-T158 PolarHBondContact N-O 3.37Å; Q150-T158 PolarHBondContact O-N 3.11Å
159V95.8Very high86.6Confident1 Ų173.4 Ų73.41%0.00642%0.417CS..EExtended strand (participates in β ladder)trans-113.9126.7171.9-173.20000108.5Q90 V91 V105 I112 V114 V147 V148 L157Q90-V159 WeakPolarHBondContact CA-O 3.33Å; V91-V159 PolarHBondContact N-O 3.19Å; V91-V159 PolarHBondContact O-N 2.91Å; V105-V159 HydrophobicContact CG1-CG1 4.39Å; V105-V159 HydrophobicContact CG1-CG2 4.27Å; V105-V159 HydrophobicContact CG2-CG2 4.34Å; I112-V159 HydrophobicContact CD1-CG1 3.84Å; I112-V159 HydrophobicContact CG2-CG1 3.9Å; V114-V159 HydrophobicContact CG2-CG2 4.23Å; V147-V159 HydrophobicContact CG1-CG1 3.72Å; V148-V159 WeakPolarHBondContact O-CA 3.42Å; L157-V159 HydrophobicContact CD1-CG2 4.42Å; L157-V159 HydrophobicContact CD2-CG2 4.5Å; L157-V159 HydrophobicContact CG-CG2 4.18Å
160S95.2Very high84.7Confident31 Ų3179.1 Ų79.122%0.21743%0.434CS..EExtended strand (participates in β ladder)trans-136.8153.5-173.362.50000112.1F89 V147 V148F89-S160 CarbonylContact O-C 3.55Å; F89-S160 WeakPolarHBondContact O-CA 3.38Å; V147-S160 WeakPolarHBondContact CA-O 3.41Å; V148-S160 PolarHBondContact N-O 2.69Å; V148-S160 PolarHBondContact O-N 2.7Å
161I95.8Very high83.1Confident1 Ų176.9 Ų76.91%0.00543%0.432CS..EExtended strand (participates in β ladder)trans-127.5123.5168.1-50.2173.5000106.6G88 F89 I112 V138 Y142 K143 Q146 V147G88-I161 CarbonylContact C-O 3.52Å; G88-I161 WeakPolarHBondContact CA-O 3.36Å; F89-I161 HydrophobicContact CB-CB 4.26Å; F89-I161 HydrophobicContact CD1-CD1 3.88Å; F89-I161 HydrophobicContact CD1-CG1 4.01Å; F89-I161 PolarHBondContact N-O 2.82Å; F89-I161 PolarHBondContact O-N 2.86Å; I112-I161 HydrophobicContact CD1-CD1 4.1Å; I112-I161 HydrophobicContact CD1-CG1 4.35Å; V138-I161 HydrophobicContact CB-CD1 4.36Å; V138-I161 HydrophobicContact CG1-CD1 3.65Å; V138-I161 HydrophobicContact CG2-CD1 3.97Å; Y142-I161 HydrophobicContact CD1-CB 3.83Å; Y142-I161 HydrophobicContact CD1-CG2 3.71Å; Y142-I161 HydrophobicContact CG-CG2 4.42Å; K143-I161 WeakPolarHBondContact O-CG2 3.26Å; Q146-I161 HydrophobicContact CB-CG2 4.04Å; V147-I161 HydrophobicContact CB-CG1 4.4Å; V147-I161 HydrophobicContact CG2-CD1 3.69Å; V147-I161 HydrophobicContact CG2-CG1 3.57Å
162P94.2Very high81.9Confident59 Ų5982.9 Ų82.938%0.38346%0.455SS..EExtended strand (participates in β ladder)trans-59.3149178.827-34.8000110.1Y142 Q146Y142-P162 WeakPolarHBondContact CD1-O 3.2Å; Y142-P162 WeakPolarHBondContact CE1-O 3.36Å; Q146-P162 HydrophobicContact CB-CG 3.83Å; Q146-P162 WeakPolarHBondContact O-CD 3.39Å
163K91.1Very high81.1Confident128 Ų12888.7 Ų88.756%0.55748%0.477SS*.PPolyproline II helixtrans-54133.3174-169.3174.8-178.8176.60109.7D87 Q165D87-K163 PolarHBondContact O-N 3.36Å; D87-K163 VanDerWaalsContact O-N 3.12Å; K163-Q165 PolarHBondContact O-N 3.1Å
164P87.1Confident80.7Confident44 Ų4493.3 Ų93.329%0.28648%0.477SS..PPolyproline II helixtrans-53.4129.9173-24.534000108.1G141 Y142 A166G141-P164 WeakPolarHBondContact O-CG 3.48Å; Y142-P164 HydrophobicContact CD1-CG 4.26Å; Y142-P164 HydrophobicContact CD2-CG 4.17Å; Y142-P164 HydrophobicContact CE1-CG 4.44Å; Y142-P164 HydrophobicContact CE2-CG 4.34Å; Y142-P164 HydrophobicContact CG-CG 4.13Å; P164-A166 PolarHBondContact O-N 3.03Å
165Q79.7Confident80.6Confident184 Ų18496.7 Ų96.786%0.8649%0.493SS*.PPolyproline II helixtrans-54.4117.1167.6-70.1178.6-7.200105.3K163 V167K163-Q165 PolarHBondContact O-N 3.1Å; Q165-V167 PolarHBondContact O-N 2.83Å; Q165-V167 VanDerWaalsContact O-N 3.14Å
166A70.7Confident80.4Confident82 Ų82103.1 Ų103.168%0.67853%0.525SS*.PPolyproline II helixtrans-48.2130.916100000104P164 E168P164-A166 PolarHBondContact O-N 3.03Å; A166-E168 PolarHBondContact O-N 3.16Å
167V59.7Low80.3Confident132 Ų132108.8 Ų108.880%0.855%0.549SS*.  trans-57.891.9166.5-179.70000102.8Q165 D169Q165-V167 PolarHBondContact O-N 2.83Å; Q165-V167 VanDerWaalsContact O-N 3.14Å; V167-D169 VanDerWaalsContact C-N 3.26Å; V167-D169 PolarHBondContact O-N 3.13Å
168E57.8Low80Confident160 Ų160115.9 Ų115.975%0.74859%0.585SS**  trans-52.7113.6162.9-72.3-170.9174.700100.5A166 K170A166-E168 PolarHBondContact O-N 3.16Å; E168-K170 PolarHBondContact O-N 3.34Å
169D49.8Very low79.7Confident134 Ų134122.3 Ų122.372%0.71761%0.613SS**  trans-49.995.3164.3-76.7-47.4000104.2V167 S171V167-D169 VanDerWaalsContact C-N 3.26Å; V167-D169 PolarHBondContact O-N 3.13Å; D169-S171 PolarHBondContact O-N 3.09Å; D169-S171 PolarHBondContact O-OG 3.46Å
170K57.3Low79.2Confident181 Ų181131.5 Ų131.579%0.78766%0.656SS**  trans-67.339.7161.9-65.1-172.3-176.4-178.80108E168 K172E168-K170 PolarHBondContact O-N 3.34Å; K170-K172 PolarHBondContact O-N 3.18Å
171S61.6Low78.8Confident83 Ų83134.5 Ų134.558%0.5867%0.673SS**  trans-46.5100.3141.764.50000104.9D169 E173D169-S171 PolarHBondContact O-N 3.09Å; D169-S171 PolarHBondContact O-OG 3.46Å; S171-E173 PolarHBondContact O-N 3.35Å
172K71.2Confident78.2Confident196 Ų196136.8 Ų136.885%0.85270%0.697SS**  trans-7154.4167.9-64.9177.6-178.3177.20106.8K170 R174K170-K172 PolarHBondContact O-N 3.18Å; K172-R174 PolarHBondContact O-N 3.29Å; K172-R174 VanDerWaalsContact O-N 3.15Å
173E78.1Confident78Confident168 Ų168137.7 Ų137.779%0.78570%0.702SS**  trans-65.7116.8175.2-172.3175.2-179.300106.2S171S171-E173 PolarHBondContact O-N 3.35Å
174R83.8Confident77.6Confident214 Ų214135.2 Ų135.281%0.80871%0.705SS**  trans-121.4119.8176.6-159.9-174.7-166.7-147.23.5106.6K172 I176K172-R174 PolarHBondContact O-N 3.29Å; K172-R174 VanDerWaalsContact O-N 3.15Å; R174-I176 PolarHBondContact O-N 2.71Å; R174-I176 VanDerWaalsContact O-N 3.15Å
175I86.6Confident77.3Confident146 Ų146140.1 Ų140.175%0.74972%0.724SS**  trans-67.5113.5170.2-59.8171.4000107
176I88.7Confident77.3Confident142 Ų142137.3 Ų137.373%0.72871%0.714SS**  trans-93.3123.8172.6-56.5176.1000107.2R174 I178R174-I176 PolarHBondContact O-N 2.71Å; R174-I176 VanDerWaalsContact O-N 3.15Å; I176-I178 PolarHBondContact O-N 3.27Å
177Q91.6Very high77.4Confident161 Ų161137.6 Ų137.675%0.75271%0.705SS**  trans-65.8130.8176.1-64.7-65.1-17.600110.1Q179Q177-Q179 PolarHBondContact O-N 2.8Å
178I89.9Confident78.2Confident156 Ų156137 Ų13780%0.870%0.701SS**  trans-76.3113.6177.6-61173.7000108.4I176I176-I178 PolarHBondContact O-N 3.27Å
179Q87.6Confident79.2Confident166 Ų166138.9 Ų138.978%0.77671%0.707SS**  trans-85.1119.7168.4-66.8-177.47.700108.9Q177 V181Q177-Q179 PolarHBondContact O-N 2.8Å; Q179-V181 PolarHBondContact O-N 3.34Å
180Q86.2Confident80.4Confident193 Ų193136.8 Ų136.890%0.90271%0.708SS**  trans-69.4115.9172.1-70.9-176.7-0.300109.1
181V85.7Confident81.2Confident95 Ų95136.1 Ų136.158%0.57671%0.713SS**  trans-113.4158.9171.1-65.50000109Q179Q179-V181 PolarHBondContact O-N 3.34Å
182G85.1Confident81.9Confident49 Ų49141 Ų14151%0.50573%0.727SS.*SBendtrans-63.8-161.3-178.600000114.2A184G182-A184 PolarHBondContact O-N 3.36Å
183P88.2Confident81.6Confident78 Ų78136.7 Ų136.751%0.50672%0.721SS.*  trans-53.2126.5-175.8-26.534.7000113.3H185 L186P183-H185 WeakPolarHBondContact CB-CE1 3.47Å; P183-H185 PolarHBondContact O-N 3.28Å; P183-L186 PolarHBondContact O-N 3.3Å
184A83.2Confident80.8Confident75 Ų75137.5 Ų137.562%0.6273%0.725SS**G310 helixtrans-53.6-34.6-169.900000114.7G182 L186 N187G182-A184 PolarHBondContact O-N 3.36Å; A184-L186 PolarHBondContact O-N 2.99Å; A184-L186 VanDerWaalsContact O-N 3.16Å; A184-N187 PolarHBondContact O-N 3.27Å; A184-N187 VanDerWaalsContact O-N 3.09Å
185H81.5Confident79.6Confident148 Ų148133.6 Ų133.669%0.68573%0.725SS**G310 helixtrans-64.1-18.3-178.767.5-86.6000114P183P183-H185 WeakPolarHBondContact CB-CE1 3.47Å; P183-H185 PolarHBondContact O-N 3.28Å
186L79Confident78.1Confident124 Ų124135.7 Ų135.765%0.64973%0.728SS**G310 helixtrans-88.3-17.3176.9-58.8177.6000112.9P183 A184P183-L186 PolarHBondContact O-N 3.3Å; A184-L186 PolarHBondContact O-N 2.99Å; A184-L186 VanDerWaalsContact O-N 3.16Å
187N73.2Confident76.2Confident89 Ų89132.5 Ų132.548%0.47673%0.731SS.*THydrogen-bonded Turntrans-106.4-5.5-168.8-73.180.5000114.1A184 K189A184-N187 PolarHBondContact O-N 3.27Å; A184-N187 VanDerWaalsContact O-N 3.09Å; N187-K189 PolarHBondContact O-N 3.12Å
188V77Confident74.3Confident118 Ų118134.8 Ų134.872%0.71574%0.738SS**  trans-89.9104.2177.1-177.20000109.6
189K78.2Confident72.6Confident200 Ų200136.2 Ų136.287%0.8774%0.742SS**  trans-83.1132.8164.6-68.8-175.5179.8-177.20108.9N187 N191N187-K189 PolarHBondContact O-N 3.12Å; K189-N191 PolarHBondContact O-N 3.44Å
190A74.8Confident70.8Confident91 Ų91136.3 Ų136.375%0.75275%0.748SS**  trans-63.6133.8171.600000109.5E192A190-E192 PolarHBondContact O-N 3.17Å
191N74.3Confident69.1Low167 Ų167130.7 Ų130.789%0.89374%0.741SS**  trans-79.7107.4172-1286.7000107.2K189 S193K189-N191 PolarHBondContact O-N 3.44Å; N191-S193 PolarHBondContact O-N 3.25Å
192E75.8Confident67.6Low186 Ų186130.7 Ų130.787%0.86975%0.751SS**  trans-69.3118.5175.3-70.2179.1174.600109.3A190 E194A190-E192 PolarHBondContact O-N 3.17Å; E192-E194 PolarHBondContact O-N 2.93Å
193S65.6Low66.2Low105 Ų105134.8 Ų134.873%0.73477%0.769SS**  trans-76.5117.2171.751.20000109.8N191 V195N191-S193 PolarHBondContact O-N 3.25Å; S193-V195 PolarHBondContact O-N 3.48Å
194E61.1Low64.8Low185 Ų185138.2 Ų138.286%0.86478%0.783SS**  trans-57.8108170-70.5-177.2161.600110.8E192 K196E192-E194 PolarHBondContact O-N 2.93Å; E194-K196 PolarHBondContact O-N 2.71Å
195V58.3Low63.6Low132 Ų132137.7 Ų137.780%0.879%0.785SS**  trans-82.7103.9167.3-1800000108S193 G197S193-V195 PolarHBondContact O-N 3.48Å; V195-G197 PolarHBondContact O-N 3.25Å
196K54.7Low62.6Low189 Ų189140.1 Ų140.182%0.82279%0.794SS**  trans-60.3113.6167.5-79.8-176.1174.5179.60109.9E194E194-K196 PolarHBondContact O-N 2.71Å
197G48.6Very low62Low76 Ų76142.2 Ų142.278%0.78481%0.805SS**  trans-62.3131.1174.200000112.6V195V195-G197 PolarHBondContact O-N 3.25Å
198K52.4Low60.9Low208 Ų208151.2 Ų151.290%0.90484%0.84SS**  trans-107.8110157.6-83.8-178.2174.9177.90107
199E53.3Low60.1Low187 Ų187152.9 Ų152.987%0.87485%0.847SS**  trans-83.9125.2172.5-167.7175.5-163.300108.4
200N51.3Low59.2Low168 Ų168150.4 Ų150.490%0.89885%0.845SS**  trans-150103.8161.4-87.6-28.7000107.8
201G50Low58.3Low75 Ų75153.7 Ų153.777%0.77385%0.851SS**  trans-89.3123.5-178.600000114
202A55.2Low57.4Low94 Ų94152.9 Ų152.978%0.77785%0.848SS**  trans48.9140.5139.400000122.4
203P54.6Low56.2Low136 Ų136150.8 Ų150.888%0.88385%0.847SS**  trans-119.5127.7131.233.8-22.4000110.3
204N58.5Low55.6Low149 Ų149153.9 Ų153.980%0.79785%0.854SS**  trans-95.4118.1172.4-164.420.4000109.1
205G57.4Low55.2Low65 Ų65151.6 Ų151.667%0.6785%0.854SS**  trans-82.4144.116600000110.7
206K62.3Low54.9Low198 Ų198153.2 Ų153.286%0.86186%0.858SS**  trans-129.3116.8162.5-104.9-176.9177.8178.50108.3
207D66.3Low55Low168 Ų168150.2 Ų150.290%0.89886%0.861SS**  trans-64.7127.6165-61-59.5000110.7
208K49.6Very low55.5Low278 Ų278156.9 Ų156.9100%1.20987%0.868SS**  -168.40128.1-144.4179.3-177.5-175.20111

Retrieved 208 of 208 residues in 75 ms (Link to these results)