A0A060XES7_ONCMY Loading...

BRICHOS domain containing 5

AlphaFold DB , UniProt , Accession A0A060XES7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene bricd5, Length 225 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
1M39.1Very low35Very low241 Ų241187.1 Ų187.1100%1.18790%0.902SS**  0105.40-84.8178.7168.900108.2
2V33.6Very low34.7Very low147 Ų147177.3 Ų177.389%0.89189%0.886SS**  trans-118.4114174.9-168.20000107
3R40.4Very low34.5Very low247 Ų247175.8 Ų175.893%0.93288%0.881SS**PPolyproline II helixtrans-72.4128.8-176.1-75.6178.8176-175.5-1.6110
4C37Very low34.4Very low133 Ų133174.9 Ų174.990%0.89987%0.873SS**PPolyproline II helixtrans-83.1125.6162.2-75.80000109.3
5W36.7Very low34.1Very low254 Ų254172.7 Ų172.796%0.96287%0.866SS**PPolyproline II helixtrans-85123171.3-126.1-26.4000108.6
6K34.5Very low34Very low205 Ų205168.4 Ų168.489%0.89186%0.857SS**PPolyproline II helixtrans-87125.7161.4-87.3-175.1174.9-179.60108.3
7R31.6Very low34.2Very low228 Ų228169.8 Ų169.886%0.8686%0.859SS**PPolyproline II helixtrans-98.7122.7160.9-178.8173.1-74.2-133.8-1.1107.4
8L34.5Very low34Very low154 Ų154173.9 Ų173.981%0.80686%0.863SS**PPolyproline II helixtrans-85.8128.5180-167.383.6000108.5
9E34.8Very low34.4Very low181 Ų181174.6 Ų174.685%0.84687%0.866SS**  trans-131.8128.2159.9-90.2174.8177.200109.4
10T32.1Very low34.3Very low115 Ų115173.7 Ų173.771%0.70686%0.864SS**  trans-98.4127.3-175.437.40000111
11T31Very low34.6Very low153 Ų153173.8 Ų173.894%0.93986%0.862SS**  trans179.7135.7153.52.90000105.2
12G30.8Very low34.3Very low69 Ų69165.7 Ų165.771%0.71184%0.84SS**  cis151.3124.810.600000105.6
13L31.9Very low34.8Very low158 Ų158164.1 Ų164.183%0.82783%0.833SS**  trans75121.3159.8-139.174.1000121.4
14E33.3Very low34.8Very low163 Ų163159.1 Ų159.176%0.76283%0.83SS**  trans47.2118.6146.9-72.3173.899.300122.2
15D30.2Very low34.9Very low143 Ų143159 Ų15977%0.76583%0.825SS**  138.5136.8107.3-147.2-8.4000114.7
16S32.3Very low35.3Very low104 Ų104151.6 Ų151.673%0.72781%0.812SS**  trans64.1130.9154.7-79.90000123.9
17Q36.9Very low35.6Very low191 Ų191147.1 Ų147.189%0.89381%0.805SS**  trans-53136.2172.2-70.8161.1-81.500114.7
18R31.1Very low36.5Very low245 Ų245144.8 Ų144.893%0.92580%0.804SS**  trans-167.5153.2130.6-110.8-178.1-166.4113.80.4112.3
19M42.2Very low37.4Very low187 Ų187146.2 Ų146.292%0.92180%0.804SS**  trans-41.1141.7175.6-69154.576.600113.5
20D31.4Very low38.6Very low156 Ų156142 Ų14283%0.83479%0.792SS**  trans-157.2142144.2-145-2.9000113.8
21E41.3Very low40Very low176 Ų176142.5 Ų142.582%0.82279%0.786SS**PPolyproline II helixtrans-55.1130.2171.3-105.5170.7109.700110.8P23E21-P23 WeakPolarHBondContact O-CD 3.1Å
22G33.1Very low41.6Very low70 Ų70143.9 Ų143.972%0.72278%0.78SS**PPolyproline II helixtrans-70.8125.2174.600000111.3T24G22-T24 PolarHBondContact O-N 2.64Å
23P42.9Very low43.4Very low115 Ų115143.3 Ų143.375%0.74777%0.768SS**PPolyproline II helixtrans-77.4121.4173.429-29.2000109.7E21 V25E21-P23 WeakPolarHBondContact O-CD 3.1Å; P23-V25 PolarHBondContact O-N 3.08Å
24T41.4Very low45.3Very low141 Ų141141.9 Ų141.987%0.86576%0.755SS**  trans-62.6102.3163.143.20000109.2G22 S26G22-T24 PolarHBondContact O-N 2.64Å; T24-S26 PolarHBondContact O-N 3.46Å; T24-S26 VanDerWaalsContact O-N 3.09Å
25V37.8Very low47.4Very low130 Ų130141 Ų14179%0.78875%0.745SS**  trans-70103.4173.2179.70000108.8P23P23-V25 PolarHBondContact O-N 3.08Å
26S45.3Very low49.9Very low99 Ų99138.9 Ų138.969%0.69274%0.737SS**  trans-77.7117.8172.4-178.20000110.1T24 Q28T24-S26 PolarHBondContact O-N 3.46Å; T24-S26 VanDerWaalsContact O-N 3.09Å; S26-Q28 PolarHBondContact O-N 3.06Å; S26-Q28 VanDerWaalsContact O-N 3.09Å
27C42.4Very low52.2Low111 Ų111138 Ų13875%0.7573%0.728SS**  trans-76.787.2169.1-80.40000109.9F29C27-F29 PolarHBondContact O-N 2.86Å; C27-F29 VanDerWaalsContact O-N 3.09Å
28Q50.7Low54.5Low180 Ų180133.1 Ų133.184%0.84171%0.707SS**  trans-73.196.8165.5-94.3174.2-24.400109.6S26S26-Q28 PolarHBondContact O-N 3.06Å; S26-Q28 VanDerWaalsContact O-N 3.09Å
29F51.8Low57.2Low184 Ų184124.9 Ų124.981%0.80769%0.687SS**  trans-59.6127.6162.9-94.2-93.3000108.7C27 H31C27-F29 PolarHBondContact O-N 2.86Å; C27-F29 VanDerWaalsContact O-N 3.09Å; F29-H31 VanDerWaalsContact C-N 3.26Å; F29-H31 PolarHBondContact O-N 3.26Å
30P60.3Low59.4Low92 Ų92118.2 Ų118.260%0.59766%0.662SS**  trans-7585.4-178.530.5-32.8000108.6K32 A33P30-K32 PolarHBondContact O-N 3.07Å; P30-A33 HydrophobicContact CB-CB 4.44Å; P30-A33 HydrophobicContact CG-CB 4.28Å; P30-A33 PolarHBondContact O-N 3.37Å
31H62.7Low62.1Low125 Ų125114.4 Ų114.458%0.57964%0.644SS**Hα-helixtrans-46.1-35.3175.1-173.8-106.5000111.4F29 A33 F34 W35F29-H31 VanDerWaalsContact C-N 3.26Å; F29-H31 PolarHBondContact O-N 3.26Å; H31-A33 PolarHBondContact O-N 3.01Å; H31-F34 WeakPolarHBondContact O-CB 3.29Å; H31-F34 PolarHBondContact O-N 3.35Å; H31-W35 AromaticContact CD2-CD1 3.98Å; H31-W35 AromaticContact CD2-NE1 3.69Å; H31-W35 AromaticContact CE1-CD1 3.36Å; H31-W35 AromaticContact CE1-CE2 3.76Å; H31-W35 AromaticContact CE1-NE1 2.83Å; H31-W35 PolarHBondContact CE1-NE1 3.46Å; H31-W35 AromaticContact CG-CD1 3.83Å; H31-W35 AromaticContact CG-NE1 3.92Å; H31-W35 AromaticContact ND1-CD1 3.41Å; H31-W35 AromaticContact ND1-NE1 3.42Å; H31-W35 PolarHBondContact ND1-NE1 3.02Å; H31-W35 AromaticContact NE2-CD1 3.68Å; H31-W35 AromaticContact NE2-NE1 2.97Å; H31-W35 PolarHBondContact NE2-NE1 2.92Å; H31-W35 VanDerWaalsContact O-CD1 3.22Å; H31-W35 PolarHBondContact O-N 3.13Å; H31-W35 VanDerWaalsContact O-N 3.1Å
32K62.9Low64.6Low183 Ų183111.1 Ų111.180%0.79663%0.632SS**Hα-helixtrans-58-39.7176.2-66.3-175.1176.5179.80114P30 W35 V36P30-K32 PolarHBondContact O-N 3.07Å; K32-W35 PolarHBondContact O-N 2.87Å; K32-V36 VanDerWaalsContact O-CG2 3.31Å; K32-V36 WeakPolarHBondContact O-CG2 3.1Å; K32-V36 PolarHBondContact O-N 3.41Å
33A69.3Low67.3Low57 Ų57113 Ų11347%0.47162%0.624SS.*Hα-helixtrans-70.1-34.9179.700000111.9P30 H31 T37P30-A33 HydrophobicContact CB-CB 4.44Å; P30-A33 HydrophobicContact CG-CB 4.28Å; P30-A33 PolarHBondContact O-N 3.37Å; H31-A33 PolarHBondContact O-N 3.01Å; A33-T37 PolarHBondContact O-N 2.66Å; A33-T37 VanDerWaalsContact O-N 3.11Å; A33-T37 PolarHBondContact O-OG1 2.96Å
34F72.8Confident69.5Low127 Ų127113.1 Ų113.156%0.55762%0.618SS**Hα-helixtrans-65.7-42.6175.3179-101.2000112.1H31 T37 L38H31-F34 WeakPolarHBondContact O-CB 3.29Å; H31-F34 PolarHBondContact O-N 3.35Å; F34-T37 WeakPolarHBondContact CA-OG1 2.94Å; F34-T37 PolarHBondContact O-N 3.28Å; F34-T37 PolarHBondContact O-OG1 2.78Å; F34-T37 VanDerWaalsContact O-OG1 3.09Å; F34-L38 WeakPolarHBondContact O-CB 3.25Å; F34-L38 PolarHBondContact O-N 3.26Å
35W75.6Confident71.7Confident145 Ų145110.1 Ų110.155%0.54960%0.6SS.*Hα-helixtrans-68.2-36.5178.4-81.981.7000113.2H31 K32 L38 S39H31-W35 AromaticContact CD2-CD1 3.98Å; H31-W35 AromaticContact CD2-NE1 3.69Å; H31-W35 AromaticContact CE1-CD1 3.36Å; H31-W35 AromaticContact CE1-CE2 3.76Å; H31-W35 AromaticContact CE1-NE1 2.83Å; H31-W35 PolarHBondContact CE1-NE1 3.46Å; H31-W35 AromaticContact CG-CD1 3.83Å; H31-W35 AromaticContact CG-NE1 3.92Å; H31-W35 AromaticContact ND1-CD1 3.41Å; H31-W35 AromaticContact ND1-NE1 3.42Å; H31-W35 PolarHBondContact ND1-NE1 3.02Å; H31-W35 AromaticContact NE2-CD1 3.68Å; H31-W35 AromaticContact NE2-NE1 2.97Å; H31-W35 PolarHBondContact NE2-NE1 2.92Å; H31-W35 VanDerWaalsContact O-CD1 3.22Å; H31-W35 PolarHBondContact O-N 3.13Å; H31-W35 VanDerWaalsContact O-N 3.1Å; K32-W35 PolarHBondContact O-N 2.87Å; W35-L38 PolarHBondContact O-N 2.77Å; W35-S39 PolarHBondContact O-N 2.83Å
36V83Confident74Confident98 Ų98108.9 Ų108.959%0.59459%0.588SS**Hα-helixtrans-68.3-40.6176.3172.40000111.5K32 S39 A40K32-V36 VanDerWaalsContact O-CG2 3.31Å; K32-V36 WeakPolarHBondContact O-CG2 3.1Å; K32-V36 PolarHBondContact O-N 3.41Å; V36-S39 PolarHBondContact O-N 2.82Å; V36-S39 PolarHBondContact O-OG 3.33Å; V36-S39 VanDerWaalsContact O-OG 3.14Å; V36-A40 WeakPolarHBondContact O-CB 3.34Å; V36-A40 PolarHBondContact O-N 2.78Å
37T81Confident75.9Confident87 Ų87108.6 Ų108.653%0.53458%0.577SS.*Hα-helixtrans-67.8-37.4175.229.30000111.9A33 F34 T41A33-T37 PolarHBondContact O-N 2.66Å; A33-T37 VanDerWaalsContact O-N 3.11Å; A33-T37 PolarHBondContact O-OG1 2.96Å; F34-T37 WeakPolarHBondContact CA-OG1 2.94Å; F34-T37 PolarHBondContact O-N 3.28Å; F34-T37 PolarHBondContact O-OG1 2.78Å; F34-T37 VanDerWaalsContact O-OG1 3.09Å; T37-T41 WeakPolarHBondContact O-CB 3.39Å; T37-T41 WeakPolarHBondContact O-CG2 3.39Å; T37-T41 PolarHBondContact O-N 3.13Å; T37-T41 PolarHBondContact O-OG1 2.97Å
38L86.1Confident77.7Confident87 Ų87105.1 Ų105.146%0.45556%0.557SS.*Hα-helixtrans-65.4-42.4175.2-170.169.3000112F34 W35 T41 L42F34-L38 WeakPolarHBondContact O-CB 3.25Å; F34-L38 PolarHBondContact O-N 3.26Å; W35-L38 PolarHBondContact O-N 2.77Å; L38-T41 WeakPolarHBondContact CA-OG1 3.46Å; L38-T41 PolarHBondContact O-OG1 3.01Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 PolarHBondContact O-N 2.85Å
39S86.9Confident79Confident72 Ų72101.3 Ų101.350%0.50354%0.542SS..Hα-helixtrans-67.4-41.1177.979.40000112W35 V36 L42 L43W35-S39 PolarHBondContact O-N 2.83Å; V36-S39 PolarHBondContact O-N 2.82Å; V36-S39 PolarHBondContact O-OG 3.33Å; V36-S39 VanDerWaalsContact O-OG 3.14Å; S39-L42 PolarHBondContact O-N 2.66Å; S39-L43 WeakPolarHBondContact O-CB 3.31Å; S39-L43 PolarHBondContact O-N 2.65Å
40A89.8Confident80Confident48 Ų4894 Ų9440%0.39752%0.518SS..Hα-helixtrans-65.2-41.1178.700000112V36 L43 L44V36-A40 WeakPolarHBondContact O-CB 3.34Å; V36-A40 PolarHBondContact O-N 2.78Å; A40-L43 PolarHBondContact O-N 2.76Å; A40-L44 WeakPolarHBondContact O-CG 3.38Å; A40-L44 PolarHBondContact O-N 2.88Å; A40-L44 VanDerWaalsContact O-N 3.13Å
41T87.9Confident80.5Confident76 Ų7693.6 Ų93.647%0.46651%0.514SS..Hα-helixtrans-67-42.4176.248.70000111.8T37 L38 L43 L44 V45T37-T41 WeakPolarHBondContact O-CB 3.39Å; T37-T41 WeakPolarHBondContact O-CG2 3.39Å; T37-T41 PolarHBondContact O-N 3.13Å; T37-T41 PolarHBondContact O-OG1 2.97Å; L38-T41 WeakPolarHBondContact CA-OG1 3.46Å; L38-T41 PolarHBondContact O-OG1 3.01Å; T41-L43 VanDerWaalsContact C-N 3.34Å; T41-L43 PolarHBondContact O-N 2.89Å; T41-L44 PolarHBondContact O-N 2.93Å; T41-V45 WeakPolarHBondContact O-CG2 3.48Å; T41-V45 PolarHBondContact O-N 2.82Å
42L92.4Very high80.4Confident106 Ų10695 Ų9556%0.55551%0.514SS*.Hα-helixtrans-60.8-42.9175.7-17368.4000111.9L38 S39 L44 V45 I46L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 PolarHBondContact O-N 2.85Å; S39-L42 PolarHBondContact O-N 2.66Å; L42-L44 PolarHBondContact O-N 2.85Å; L42-V45 PolarHBondContact O-N 2.9Å; L42-I46 HydrophobicContact CG-CD1 4.19Å; L42-I46 WeakPolarHBondContact O-CG1 3.48Å; L42-I46 PolarHBondContact O-N 2.87Å
43L90.7Very high80.2Confident109 Ų10988.6 Ų88.657%0.57150%0.5SS*.Hα-helixtrans-62.6-42.5178.9-152.4107.3000111.6S39 A40 T41 V45 I46 I47S39-L43 WeakPolarHBondContact O-CB 3.31Å; S39-L43 PolarHBondContact O-N 2.65Å; A40-L43 PolarHBondContact O-N 2.76Å; T41-L43 VanDerWaalsContact C-N 3.34Å; T41-L43 PolarHBondContact O-N 2.89Å; L43-V45 VanDerWaalsContact C-N 3.33Å; L43-V45 PolarHBondContact O-N 2.82Å; L43-I46 PolarHBondContact O-N 2.89Å; L43-I47 HydrophobicContact CD2-CD1 3.91Å; L43-I47 HydrophobicContact CG-CD1 4.44Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 2.8Å
44L88.8Confident79.6Confident118 Ų11893.2 Ų93.262%0.61851%0.511SS*.Hα-helixtrans-63.1-38.3175.7-73.4170.7000112.2A40 T41 L42 I47 A48A40-L44 WeakPolarHBondContact O-CG 3.38Å; A40-L44 PolarHBondContact O-N 2.88Å; A40-L44 VanDerWaalsContact O-N 3.13Å; T41-L44 PolarHBondContact O-N 2.93Å; L42-L44 PolarHBondContact O-N 2.85Å; L44-I47 PolarHBondContact O-N 3Å; L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.46Å; L44-A48 PolarHBondContact O-N 3.22Å
45V88.4Confident78.7Confident79 Ų7994 Ų9448%0.47952%0.521SS..Hα-helixtrans-64.7-43175.5172.20000111T41 L42 L43 A48 L49T41-V45 WeakPolarHBondContact O-CG2 3.48Å; T41-V45 PolarHBondContact O-N 2.82Å; L42-V45 PolarHBondContact O-N 2.9Å; L43-V45 VanDerWaalsContact C-N 3.33Å; L43-V45 PolarHBondContact O-N 2.82Å; V45-A48 PolarHBondContact O-N 2.74Å; V45-L49 HydrophobicContact CG1-CD1 3.83Å; V45-L49 HydrophobicContact CG1-CG 4.39Å; V45-L49 WeakPolarHBondContact O-CB 3.47Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.45Å; V45-L49 PolarHBondContact O-N 2.92Å
46I86.1Confident77.4Confident103 Ų10397.8 Ų97.853%0.52854%0.535SS..Hα-helixtrans-63.8-44.2177.4-66.4166.9000110.8L42 L43 A48 L49 G50L42-I46 HydrophobicContact CG-CD1 4.19Å; L42-I46 WeakPolarHBondContact O-CG1 3.48Å; L42-I46 PolarHBondContact O-N 2.87Å; L43-I46 PolarHBondContact O-N 2.89Å; I46-A48 PolarHBondContact O-N 2.8Å; I46-L49 PolarHBondContact O-N 2.05Å; I46-G50 PolarHBondContact O-N 2.9Å
47I83.6Confident76Confident93 Ų9398.2 Ų98.248%0.47754%0.537SS..Hα-helixtrans-62.4-44.4176.3-66.2165.5000110.3L43 L44 L49 G50 V51L43-I47 HydrophobicContact CD2-CD1 3.91Å; L43-I47 HydrophobicContact CG-CD1 4.44Å; L43-I47 VanDerWaalsContact O-CG1 3.31Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 2.8Å; L44-I47 PolarHBondContact O-N 3Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 2.82Å; I47-G50 PolarHBondContact O-N 3.27Å; I47-V51 HydrophobicContact CG2-CG2 4.28Å; I47-V51 WeakPolarHBondContact O-CB 3.37Å; I47-V51 VanDerWaalsContact O-CG2 3.24Å; I47-V51 WeakPolarHBondContact O-CG2 3.24Å; I47-V51 PolarHBondContact O-N 2.97Å
48A80.3Confident74.8Confident39 Ų39103.6 Ų103.632%0.32255%0.548SS..Hα-helixtrans-65-34177.300000113L44 V45 I46 R52L44-A48 VanDerWaalsContact O-CB 3.32Å; L44-A48 WeakPolarHBondContact O-CB 3.46Å; L44-A48 PolarHBondContact O-N 3.22Å; V45-A48 PolarHBondContact O-N 2.74Å; I46-A48 PolarHBondContact O-N 2.8Å; A48-R52 WeakPolarHBondContact O-CB 3.44Å; A48-R52 WeakPolarHBondContact O-CG 3.49Å; A48-R52 PolarHBondContact O-N 3.04Å; A48-R52 VanDerWaalsContact O-N 3.08Å; A48-R52 PolarHBondContact O-NE 2.74Å
49L79.3Confident73.2Confident99 Ų99108 Ų10852%0.51857%0.566SS.*Hα-helixtrans-72.2-41.3173.4-73.5168000112V45 I46 I47 R52 G53V45-L49 HydrophobicContact CG1-CD1 3.83Å; V45-L49 HydrophobicContact CG1-CG 4.39Å; V45-L49 WeakPolarHBondContact O-CB 3.47Å; V45-L49 VanDerWaalsContact O-CG 3.28Å; V45-L49 WeakPolarHBondContact O-CG 3.45Å; V45-L49 PolarHBondContact O-N 2.92Å; I46-L49 PolarHBondContact O-N 2.05Å; I47-L49 VanDerWaalsContact C-N 3.33Å; I47-L49 PolarHBondContact O-N 2.82Å; L49-R52 PolarHBondContact O-N 3.23Å; L49-G53 PolarHBondContact O-N 2.74Å
50G72.9Confident71.7Confident30 Ų30109.4 Ų109.431%0.30957%0.573SS.*Hα-helixtrans-62.4-46.6174.900000111.6I46 I47 R52 G53 H54I46-G50 PolarHBondContact O-N 2.9Å; I47-G50 PolarHBondContact O-N 3.27Å; G50-R52 VanDerWaalsContact C-N 3.34Å; G50-R52 PolarHBondContact O-N 2.69Å; G50-G53 PolarHBondContact O-N 2.79Å; G50-G53 VanDerWaalsContact O-N 3.14Å; G50-H54 PolarHBondContact O-CD2 2.04Å; G50-H54 PolarHBondContact O-N 2.93Å
51V69.3Low70.6Confident84 Ų84111.1 Ų111.151%0.50958%0.576SS.*Hα-helixtrans-61.9-41.1175.3174.40000111I47 H54 L55I47-V51 HydrophobicContact CG2-CG2 4.28Å; I47-V51 WeakPolarHBondContact O-CB 3.37Å; I47-V51 VanDerWaalsContact O-CG2 3.24Å; I47-V51 WeakPolarHBondContact O-CG2 3.24Å; I47-V51 PolarHBondContact O-N 2.97Å; V51-H54 PolarHBondContact O-N 3.43Å; V51-L55 VanDerWaalsContact O-CB 3.32Å; V51-L55 WeakPolarHBondContact O-CB 3.44Å; V51-L55 PolarHBondContact O-N 3.47Å
52R61.4Low70.1Confident155 Ų155109.7 Ų109.759%0.58557%0.572SS**Hα-helixtrans-64.3-36.9172.9-83.1-177.8-73-120.3-0.3113.3A48 L49 G50 W56A48-R52 WeakPolarHBondContact O-CB 3.44Å; A48-R52 WeakPolarHBondContact O-CG 3.49Å; A48-R52 PolarHBondContact O-N 3.04Å; A48-R52 VanDerWaalsContact O-N 3.08Å; A48-R52 PolarHBondContact O-NE 2.74Å; L49-R52 PolarHBondContact O-N 3.23Å; G50-R52 VanDerWaalsContact C-N 3.34Å; G50-R52 PolarHBondContact O-N 2.69Å; R52-W56 PolarHBondContact O-N 2.69Å
53G59Low69.6Low48 Ų48107.3 Ų107.350%0.49556%0.558SS.*Hα-helixtrans-68.9-36.4176.200000113L49 G50L49-G53 PolarHBondContact O-N 2.74Å; G50-G53 PolarHBondContact O-N 2.79Å; G50-G53 VanDerWaalsContact O-N 3.14Å
54H57Low69Low154 Ų154106.5 Ų106.571%0.71356%0.557SS**Hα-helixtrans-80.6-25.7176.2-66.5-59.7000113.5G50 V51 W56G50-H54 PolarHBondContact O-CD2 2.04Å; G50-H54 PolarHBondContact O-N 2.93Å; V51-H54 PolarHBondContact O-N 3.43Å; H54-W56 VanDerWaalsContact C-N 3.27Å
55L53.1Low68.4Low144 Ų144101 Ų10175%0.75453%0.529SS*.SBendtrans-79.8-8.4174.2-136.881.7000113.1V51 V57V51-L55 VanDerWaalsContact O-CB 3.32Å; V51-L55 WeakPolarHBondContact O-CB 3.44Å; V51-L55 PolarHBondContact O-N 3.47Å; L55-V57 PolarHBondContact O-N 3.12Å
56W48.2Very low68Low225 Ų225104.7 Ų104.785%0.85253%0.534SS*.  trans-80.755.8164.9-128.9-25.2000109.5R52 H54 R58R52-W56 PolarHBondContact O-N 2.69Å; H54-W56 VanDerWaalsContact C-N 3.27Å; W56-R58 PolarHBondContact O-N 3.29Å
57V53.6Low67.3Low106 Ų10699.9 Ų99.964%0.64251%0.509SS*.  trans-55.5115.1164.8174.10000105.8L55 Q59L55-V57 PolarHBondContact O-N 3.12Å; V57-Q59 PolarHBondContact O-N 3.21Å
58R55.5Low66.6Low200 Ų20097.5 Ų97.576%0.75550%0.499SS*.  trans-49.6109.5170.3-83.6-178.5174177.50.2106.9W56 P60 H86W56-R58 PolarHBondContact O-N 3.29Å; R58-P60 WeakPolarHBondContact O-CD 3.11Å; R58-H86 PolarHBondContact NH1-NE2 3.02Å
59Q52.8Low66.1Low180 Ų18095.8 Ų95.884%0.84149%0.485SS*.  trans-63126.3171.9-84.2165.9-71.200107.6V57 D61V57-Q59 PolarHBondContact O-N 3.21Å; Q59-D61 PolarHBondContact O-N 3.48Å; Q59-D61 VanDerWaalsContact O-N 3.13Å
60P56.2Low65.5Low101 Ų10192.8 Ų92.866%0.65647%0.472SS*.  trans-64115.617023.5-28.1000107.5R58 A62R58-P60 WeakPolarHBondContact O-CD 3.11Å; P60-A62 PolarHBondContact O-N 3.31Å
61D66.6Low65.3Low84 Ų8492.6 Ų92.645%0.44946%0.464SS..  trans-77.656173.1-165.29.6000109.3Q59 Q63Q59-D61 PolarHBondContact O-N 3.48Å; Q59-D61 VanDerWaalsContact O-N 3.13Å; D61-Q63 PolarHBondContact OD1-NE2 3.37Å
62A76.1Confident65Low47 Ų4795.2 Ų95.239%0.38847%0.474SS..EExtended strand (participates in β ladder)trans-92.5116.5177.700000108.5P60 L82 V83P60-A62 PolarHBondContact O-N 3.31Å; A62-L82 HydrophobicContact CB-CD1 4.22Å; A62-V83 CarbonylContact C-O 3.57Å; A62-V83 WeakPolarHBondContact CA-O 3.03Å
63Q82.1Confident65.1Low55 Ų5593 Ų9326%0.25748%0.478SS..EExtended strand (participates in β ladder)trans-111.6127.5-175.8-61.317913.700109.1D61 V83D61-Q63 PolarHBondContact OD1-NE2 3.37Å; Q63-V83 PolarHBondContact N-O 3.37Å; Q63-V83 PolarHBondContact O-N 3.37Å
64V79.2Confident65.5Low92 Ų9293.3 Ų93.356%0.55848%0.481SS*.EExtended strand (participates in β ladder)trans-97.6117.8175.5-179.80000109.2A81 L82V64-A81 WeakPolarHBondContact CA-O 3.49Å; V64-L82 HydrophobicContact CG2-CD1 3.55Å
65V76.8Confident66.3Low4 Ų489.1 Ų89.12%0.02447%0.466CS..EExtended strand (participates in β ladder)trans-102122.6172.4-174.60000108.3I67 S80 A81 M144V65-I67 HydrophobicContact CG1-CG1 4.08Å; V65-S80 CarbonylContact O-C 3.53Å; V65-S80 VanDerWaalsContact O-CA 3.31Å; V65-S80 WeakPolarHBondContact O-CA 3.08Å; V65-A81 HydrophobicContact CB-CB 4.4Å; V65-A81 PolarHBondContact N-O 2.94Å; V65-A81 PolarHBondContact O-N 3.29Å; V65-M144 HydrophobicContact CG1-CB 4.48Å; V65-M144 HydrophobicContact CG2-CB 3.6Å; V65-M144 HydrophobicContact CG2-CG 4.26Å
66R78.4Confident67.2Low156 Ų15687.6 Ų87.659%0.58946%0.458SS*.EExtended strand (participates in β ladder)trans-94.5136.8171.7-68.2-179.5-179141.71.9109.1E147 V148R66-E147 HydrophobicContact CB-CG 4Å; R66-E147 WeakPolarHBondContact O-CA 3.08Å; R66-V148 PolarHBondContact O-N 2.92Å
67I72.4Confident68.5Low1 Ų177.8 Ų77.81%0.00542%0.422CS..EExtended strand (participates in β ladder)trans-131.9124.5-177.9-49.6178.9000106.9V65 V69 Q79 Y92 L150 P211V65-I67 HydrophobicContact CG1-CG1 4.08Å; I67-V69 HydrophobicContact CG2-CG2 3.41Å; I67-V69 VanDerWaalsContact CG2-CG2 3.41Å; I67-Q79 CarbonylContact C-O 3.58Å; I67-Q79 HydrophobicContact CB-CB 4.39Å; I67-Q79 PolarHBondContact N-O 2.84Å; I67-Q79 CarbonylContact O-C 3.47Å; I67-Q79 WeakPolarHBondContact O-CA 3.13Å; I67-Q79 PolarHBondContact O-N 2.85Å; I67-Y92 HydrophobicContact CD1-CE1 4.34Å; I67-L150 HydrophobicContact CG2-CD1 3.34Å; I67-P211 HydrophobicContact CD1-CG 3.85Å
68T69Low69.9Low43 Ų4380 Ų8026%0.26442%0.423SS..EExtended strand (participates in β ladder)trans-110.6119.8171.8-50.20000107.5L76T68-L76 HydrophobicContact CG2-CB 3.88Å; T68-L76 HydrophobicContact CG2-CD1 4.27Å; T68-L76 HydrophobicContact CG2-CD2 4.08Å; T68-L76 HydrophobicContact CG2-CG 4.29Å
69V69.1Low71.4Confident3 Ų370.9 Ų70.92%0.01839%0.389CS..EExtended strand (participates in β ladder)trans-130134.1-175.3-166.70000109.6I67 I77 L150 C209I67-V69 HydrophobicContact CG2-CG2 3.41Å; I67-V69 VanDerWaalsContact CG2-CG2 3.41Å; V69-I77 PolarHBondContact N-O 3.45Å; V69-I77 VanDerWaalsContact N-O 3.12Å; V69-I77 PolarHBondContact O-N 2.86Å; V69-L150 HydrophobicContact CG1-CB 4.19Å; V69-L150 HydrophobicContact CG1-CD2 4.31Å; V69-L150 HydrophobicContact CG2-CB 4.22Å; V69-L150 HydrophobicContact CG2-CD1 3.93Å; V69-L150 HydrophobicContact CG2-CD2 4.13Å; V69-L150 HydrophobicContact CG2-CG 4.33Å; V69-C209 HydrophobicContact CB-CB 4.34Å; V69-C209 HydrophobicContact CG1-CB 4.28Å; V69-C209 HydrophobicContact CG2-CB 3.75Å
70P66.5Low73.1Confident37 Ų3764.1 Ų64.124%0.2436%0.361CS..EExtended strand (participates in β ladder)trans-63.2143.7170.226.3-33.3000110.8T75 L76 R156P70-T75 CarbonylContact C-O 3.39Å; P70-T75 WeakPolarHBondContact CA-O 3.14Å; P70-L76 HydrophobicContact CB-CD2 4.3Å; P70-R156 PolarHBondContact O-NH2 2.78Å
71D68.4Low74.7Confident26 Ų2659.3 Ų59.314%0.13933%0.33CS..  trans-80.7-173.617073.45.2000111.7T73 G74 T75 I77D71-T73 VanDerWaalsContact CG-OG1 3.27Å; D71-T73 PolarHBondContact O-N 2.86Å; D71-T73 VanDerWaalsContact OD1-CA 3.25Å; D71-T73 WeakPolarHBondContact OD1-CA 3.35Å; D71-T73 WeakPolarHBondContact OD1-CB 3.36Å; D71-T73 PolarHBondContact OD1-N 2.74Å; D71-T73 PolarHBondContact OD1-OG1 2.89Å; D71-T73 PolarHBondContact OD2-OG1 2.83Å; D71-G74 PolarHBondContact O-N 2.79Å; D71-G74 VanDerWaalsContact O-N 3.08Å; D71-G74 PolarHBondContact OD1-N 3.1Å; D71-T75 PolarHBondContact N-O 3.43Å; D71-T75 PolarHBondContact OD1-N 2.83Å; D71-I77 HydrophobicContact CB-CD1 3.42Å; D71-I77 VanDerWaalsContact CB-CD1 3.42Å; D71-I77 HydrophobicContact CB-CG1 3.84Å
72L63Low75.8Confident138 Ų13858.7 Ų58.772%0.72333%0.327SS*.THydrogen-bonded Turntrans-61.4-20.8177.2-69.7171.4000113.7
73T65Low76.4Confident110 Ų11056.6 Ų56.668%0.67531%0.309SS*.THydrogen-bonded Turntrans-95.6-2.2178.270.80000113D71 T75D71-T73 VanDerWaalsContact CG-OG1 3.27Å; D71-T73 PolarHBondContact O-N 2.86Å; D71-T73 VanDerWaalsContact OD1-CA 3.25Å; D71-T73 WeakPolarHBondContact OD1-CA 3.35Å; D71-T73 WeakPolarHBondContact OD1-CB 3.36Å; D71-T73 PolarHBondContact OD1-N 2.74Å; D71-T73 PolarHBondContact OD1-OG1 2.89Å; D71-T73 PolarHBondContact OD2-OG1 2.83Å; T73-T75 VanDerWaalsContact C-N 3.33Å; T73-T75 PolarHBondContact OG1-OG1 3.02Å
74G66.8Low76.8Confident54 Ų5455.3 Ų55.356%0.55730%0.304SS*.SBendtrans83.84.8-174.200000114.1D71D71-G74 PolarHBondContact O-N 2.79Å; D71-G74 VanDerWaalsContact O-N 3.08Å; D71-G74 PolarHBondContact OD1-N 3.1Å
75T73.3Confident77.3Confident65 Ų6553.2 Ų53.240%0.39929%0.287SS..  trans-79.2130.5177.2-53.50000109.8P70 D71 T73 I77 P97P70-T75 CarbonylContact C-O 3.39Å; P70-T75 WeakPolarHBondContact CA-O 3.14Å; D71-T75 PolarHBondContact N-O 3.43Å; D71-T75 PolarHBondContact OD1-N 2.83Å; T73-T75 VanDerWaalsContact C-N 3.33Å; T73-T75 PolarHBondContact OG1-OG1 3.02Å; T75-I77 PolarHBondContact O-N 3.48Å; T75-P97 HydrophobicContact CG2-CB 4.42Å; T75-P97 HydrophobicContact CG2-CG 3.9Å
76L73.1Confident77.8Confident113 Ų11358.3 Ų58.359%0.59231%0.311SS*.EExtended strand (participates in β ladder)trans-69.6116-179.2-65.2173.3000111.6T68 P70T68-L76 HydrophobicContact CG2-CB 3.88Å; T68-L76 HydrophobicContact CG2-CD1 4.27Å; T68-L76 HydrophobicContact CG2-CD2 4.08Å; T68-L76 HydrophobicContact CG2-CG 4.29Å; P70-L76 HydrophobicContact CB-CD2 4.3Å
77I75.4Confident78.4Confident18 Ų1854.5 Ų54.59%0.09230%0.302CS..EExtended strand (participates in β ladder)trans-85.3135.5168.5-68.2174.1000108.9V69 D71 T75 V94V69-I77 PolarHBondContact N-O 3.45Å; V69-I77 VanDerWaalsContact N-O 3.12Å; V69-I77 PolarHBondContact O-N 2.86Å; D71-I77 HydrophobicContact CB-CD1 3.42Å; D71-I77 VanDerWaalsContact CB-CD1 3.42Å; D71-I77 HydrophobicContact CB-CG1 3.84Å; T75-I77 PolarHBondContact O-N 3.48Å; I77-V94 HydrophobicContact CG2-CG1 3.66Å
78K82.9Confident79.3Confident154 Ų15457.6 Ų57.667%0.6732%0.319SS*.EExtended strand (participates in β ladder)trans-90.4117.9171.7-69.1-178.2-178.7176.80109T95K78-T95 PolarHBondContact O-N 3.27Å
79Q87.1Confident80.5Confident8 Ų856.4 Ų56.44%0.03731%0.31CS..EExtended strand (participates in β ladder)trans-124.1145.5176.5179.4177.6-25.400109.7I67 Y92 S93 V94 C209I67-Q79 CarbonylContact C-O 3.58Å; I67-Q79 HydrophobicContact CB-CB 4.39Å; I67-Q79 PolarHBondContact N-O 2.84Å; I67-Q79 CarbonylContact O-C 3.47Å; I67-Q79 WeakPolarHBondContact O-CA 3.13Å; I67-Q79 PolarHBondContact O-N 2.85Å; Q79-Y92 HydrophobicContact CG-CD1 4.05Å; Q79-S93 CarbonylContact C-O 3.46Å; Q79-S93 VanDerWaalsContact CA-O 3.31Å; Q79-S93 WeakPolarHBondContact CA-O 3.48Å; Q79-V94 HydrophobicContact CG-CG2 3.94Å; Q79-C209 PolarHBondContact NE2-O 2.61Å
80S87.9Confident81.7Confident37 Ų3756.2 Ų56.226%0.25931%0.309SS..EExtended strand (participates in β ladder)trans-135.6141170.160.60000110.1V65 Y92 S93V65-S80 CarbonylContact O-C 3.53Å; V65-S80 VanDerWaalsContact O-CA 3.31Å; V65-S80 WeakPolarHBondContact O-CA 3.08Å; S80-Y92 CarbonylContact O-C 3.58Å; S80-Y92 WeakPolarHBondContact O-CA 3.38Å; S80-S93 PolarHBondContact N-O 3.45Å; S80-S93 PolarHBondContact O-N 3.29Å
81A88.9Confident83Confident0 Ų056 Ų560%031%0.307CS..EExtended strand (participates in β ladder)trans-110.8119.2171.300000108.9V64 V65 T91 Y92V64-A81 WeakPolarHBondContact CA-O 3.49Å; V65-A81 HydrophobicContact CB-CB 4.4Å; V65-A81 PolarHBondContact N-O 2.94Å; V65-A81 PolarHBondContact O-N 3.29Å; A81-T91 CarbonylContact C-O 3.58Å; A81-T91 WeakPolarHBondContact CA-O 3.43Å; A81-Y92 HydrophobicContact CB-CD1 3.77Å; A81-Y92 HydrophobicContact CB-CE1 3.47Å; A81-Y92 VanDerWaalsContact CB-CE1 3.47Å
82L89.9Confident84.1Confident72 Ų7254.7 Ų54.738%0.37730%0.3SS..EExtended strand (participates in β ladder)trans-89.9116.6164.8174.969.5000107.6A62 V64 V90 T91A62-L82 HydrophobicContact CB-CD1 4.22Å; V64-L82 HydrophobicContact CG2-CD1 3.55Å; L82-V90 CarbonylContact O-C 3.54Å; L82-V90 WeakPolarHBondContact O-CA 3.49Å; L82-T91 PolarHBondContact N-O 3Å; L82-T91 PolarHBondContact O-N 3.33Å
83V89.6Confident85.5Confident3 Ų349.8 Ų49.82%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-106.8110-179.8-176.20000107.9A62 Q63 K85 V90 L139 L140A62-V83 CarbonylContact C-O 3.57Å; A62-V83 WeakPolarHBondContact CA-O 3.03Å; Q63-V83 PolarHBondContact N-O 3.37Å; Q63-V83 PolarHBondContact O-N 3.37Å; V83-K85 HydrophobicContact CG1-CG 4.01Å; V83-V90 HydrophobicContact CG1-CG2 4.45Å; V83-V90 HydrophobicContact CG2-CG1 4.5Å; V83-L139 HydrophobicContact CG2-CB 4.45Å; V83-L140 HydrophobicContact CG1-CD2 3.93Å
84D90.6Very high86.7Confident27 Ų2744.8 Ų44.814%0.14425%0.247CC..EExtended strand (participates in β ladder)trans-102.696.7171.7-179.4-10.5000108.6H86 N87 D88 L89D84-H86 PolarHBondContact O-N 2.8Å; D84-H86 PolarHBondContact OD1-N 2.87Å; D84-N87 PolarHBondContact O-N 2.95Å; D84-N87 PolarHBondContact OD1-N 3.44Å; D84-N87 PolarHBondContact OD1-ND2 2.95Å; D84-N87 PolarHBondContact OD2-ND2 3.17Å; D84-D88 PolarHBondContact O-N 3.39Å; D84-D88 VanDerWaalsContact O-N 3.13Å; D84-L89 HydrophobicContact CB-CB 4.22Å; D84-L89 PolarHBondContact N-O 3.1Å; D84-L89 PolarHBondContact O-N 2.92Å
85K88.3Confident87.6Confident48 Ų4844.2 Ų44.221%0.20923%0.233CC..THydrogen-bonded Turntrans-68.3-23.7-177.4-62.7-172.6178.8-155.20112.9V83 L140 Q142V83-K85 HydrophobicContact CG1-CG 4.01Å; K85-L140 WeakPolarHBondContact CD-O 3.21Å; K85-L140 VanDerWaalsContact CE-O 3.22Å; K85-L140 WeakPolarHBondContact CE-O 3.33Å; K85-L140 PolarHBondContact NZ-O 3.34Å; K85-L140 VanDerWaalsContact NZ-O 3.1Å; K85-Q142 PolarHBondContact NZ-O 2.97Å
86H87.6Confident87.9Confident112 Ų11242.1 Ų42.152%0.51922%0.221SC..THydrogen-bonded Turntrans-75.3-34.3-177.1-170.855.4000111.8R58 D84R58-H86 PolarHBondContact NH1-NE2 3.02Å; D84-H86 PolarHBondContact O-N 2.8Å; D84-H86 PolarHBondContact OD1-N 2.87Å
87N90.9Very high87.9Confident76 Ų7640.6 Ų40.641%0.40622%0.218SC..THydrogen-bonded Turntrans-104.43.5-177.4-63.2-61.4000113.1D84 L89D84-N87 PolarHBondContact O-N 2.95Å; D84-N87 PolarHBondContact OD1-N 3.44Å; D84-N87 PolarHBondContact OD1-ND2 2.95Å; D84-N87 PolarHBondContact OD2-ND2 3.17Å; N87-L89 VanDerWaalsContact C-N 3.29Å; N87-L89 HydrophobicContact CB-CD1 3.71Å; N87-L89 HydrophobicContact CB-CG 3.79Å; N87-L89 WeakPolarHBondContact O-CG 3.5Å; N87-L89 PolarHBondContact O-N 3.02Å
88D92.8Very high88.1Confident66 Ų6643 Ų4335%0.35324%0.24SC..THydrogen-bonded Turntrans54.444.1-175.3-60.3-61.1000112.6D84 V108 K109 L140D84-D88 PolarHBondContact O-N 3.39Å; D84-D88 VanDerWaalsContact O-N 3.13Å; D88-V108 HydrophobicContact CB-CB 4.18Å; D88-V108 VanDerWaalsContact O-CB 3.31Å; D88-V108 WeakPolarHBondContact O-CB 3.43Å; D88-V108 WeakPolarHBondContact O-CG2 2.95Å; D88-V108 PolarHBondContact O-N 3.09Å; D88-K109 HydrophobicContact CB-CB 4.21Å; D88-L140 HydrophobicContact CB-CD1 4.5Å
89L93.8Very high88Confident17 Ų1741.6 Ų41.69%0.08924%0.24CC..EExtended strand (participates in β ladder)trans-113.6139-178.1-55.3172.1000111.4D84 N87 L105 F106 D107 P177D84-L89 HydrophobicContact CB-CB 4.22Å; D84-L89 PolarHBondContact N-O 3.1Å; D84-L89 PolarHBondContact O-N 2.92Å; N87-L89 VanDerWaalsContact C-N 3.29Å; N87-L89 HydrophobicContact CB-CD1 3.71Å; N87-L89 HydrophobicContact CB-CG 3.79Å; N87-L89 WeakPolarHBondContact O-CG 3.5Å; N87-L89 PolarHBondContact O-N 3.02Å; L89-L105 HydrophobicContact CB-CD1 4.47Å; L89-F106 WeakPolarHBondContact CA-O 3.34Å; L89-D107 HydrophobicContact CD2-CB 3.92Å; L89-P177 HydrophobicContact CD1-CG 3.46Å; L89-P177 VanDerWaalsContact CD1-CG 3.46Å; L89-P177 HydrophobicContact CD2-CG 4.39Å
90V93.1Very high87.9Confident0 Ų044.9 Ų44.90%026%0.255CS..EExtended strand (participates in β ladder)trans-129.8119.6170.6-177.90000109.1L82 V83 Y92 F106 M136 L139 L140L82-V90 CarbonylContact O-C 3.54Å; L82-V90 WeakPolarHBondContact O-CA 3.49Å; V83-V90 HydrophobicContact CG1-CG2 4.45Å; V83-V90 HydrophobicContact CG2-CG1 4.5Å; V90-Y92 HydrophobicContact CG1-CD2 4Å; V90-Y92 HydrophobicContact CG1-CE2 3.59Å; V90-F106 HydrophobicContact CB-CB 4.28Å; V90-F106 PolarHBondContact N-O 2.81Å; V90-F106 PolarHBondContact O-N 3.01Å; V90-M136 HydrophobicContact CB-SD 3.66Å; V90-M136 HydrophobicContact CG1-SD 3.91Å; V90-M136 HydrophobicContact CG2-SD 3.82Å; V90-L139 HydrophobicContact CG1-CD1 3.96Å; V90-L140 HydrophobicContact CG2-CD2 4.11Å; V90-L140 HydrophobicContact CG2-CG 4.23Å
91T94.3Very high87.9Confident31 Ų3145.2 Ų45.219%0.1926%0.255CS..EExtended strand (participates in β ladder)trans-112.3114178.4-50.70000110.5A81 L82 T103 V104 L105A81-T91 CarbonylContact C-O 3.58Å; A81-T91 WeakPolarHBondContact CA-O 3.43Å; L82-T91 PolarHBondContact N-O 3Å; L82-T91 PolarHBondContact O-N 3.33Å; T91-T103 HydrophobicContact CG2-CG2 3.64Å; T91-V104 CarbonylContact C-O 3.59Å; T91-V104 WeakPolarHBondContact CA-O 3.46Å; T91-L105 WeakPolarHBondContact OG1-CD1 3.37Å
92Y92.8Very high88Confident0 Ų047.4 Ų47.40%026%0.264CS..EExtended strand (participates in β ladder)trans-89133.9169.5-75.8-78.8000111.2I67 Q79 S80 A81 V90 T103 V104 F106 M136 L139 I208 F210I67-Y92 HydrophobicContact CD1-CE1 4.34Å; Q79-Y92 HydrophobicContact CG-CD1 4.05Å; S80-Y92 CarbonylContact O-C 3.58Å; S80-Y92 WeakPolarHBondContact O-CA 3.38Å; A81-Y92 HydrophobicContact CB-CD1 3.77Å; A81-Y92 HydrophobicContact CB-CE1 3.47Å; A81-Y92 VanDerWaalsContact CB-CE1 3.47Å; V90-Y92 HydrophobicContact CG1-CD2 4Å; V90-Y92 HydrophobicContact CG1-CE2 3.59Å; Y92-T103 CarbonylContact O-C 3.55Å; Y92-T103 VanDerWaalsContact O-CA 3.3Å; Y92-T103 WeakPolarHBondContact O-CA 3.28Å; Y92-V104 PolarHBondContact N-O 3.05Å; Y92-V104 PolarHBondContact O-N 2.86Å; Y92-F106 HydrophobicContact CD2-CD2 4.03Å; Y92-F106 AromaticContact CD2-CE2 3.73Å; Y92-F106 HydrophobicContact CD2-CE2 3.73Å; Y92-F106 HydrophobicContact CE2-CD2 4.37Å; Y92-F106 HydrophobicContact CE2-CE2 4.1Å; Y92-M136 HydrophobicContact CE2-CE 4.05Å; Y92-L139 HydrophobicContact CE2-CD1 4.21Å; Y92-L139 WeakPolarHBondContact OH-CD1 3.45Å; Y92-I208 HydrophobicContact CD1-CG2 4.33Å; Y92-I208 HydrophobicContact CD2-CG2 4.15Å; Y92-I208 HydrophobicContact CE2-CG2 4.41Å; Y92-I208 HydrophobicContact CG-CG2 4.07Å; Y92-F210 HydrophobicContact CE2-CD1 4.13Å; Y92-F210 AromaticContact CE2-CE1 3.88Å; Y92-F210 HydrophobicContact CE2-CE1 3.88Å; Y92-F210 AromaticContact CZ-CD1 3.92Å; Y92-F210 VanDerWaalsContact OH-CD1 3.31Å; Y92-F210 WeakPolarHBondContact OH-CD1 3.42Å
93S92.4Very high88.2Confident35 Ų3545.4 Ų45.425%0.24525%0.254CS..EExtended strand (participates in β ladder)trans-118.9116.9166.8-62.20000108Q79 S80 Y102Q79-S93 CarbonylContact C-O 3.46Å; Q79-S93 VanDerWaalsContact CA-O 3.31Å; Q79-S93 WeakPolarHBondContact CA-O 3.48Å; S80-S93 PolarHBondContact N-O 3.45Å; S80-S93 PolarHBondContact O-N 3.29Å; S93-Y102 WeakPolarHBondContact CA-O 3.11Å
94V88.4Confident88.5Confident5 Ų545.2 Ų45.23%0.0325%0.254CS..EExtended strand (participates in β ladder)trans-114.5114.7-177.2-176.30000108.2I77 Q79 T101 Y102 D207I77-V94 HydrophobicContact CG2-CG1 3.66Å; Q79-V94 HydrophobicContact CG-CG2 3.94Å; V94-T101 CarbonylContact O-C 3.48Å; V94-T101 VanDerWaalsContact O-CA 3.3Å; V94-T101 WeakPolarHBondContact O-CA 3.48Å; V94-Y102 PolarHBondContact N-O 2.77Å; V94-Y102 PolarHBondContact O-N 2.98Å; V94-D207 WeakPolarHBondContact CG1-O 3.43Å
95T86.9Confident88.8Confident42 Ų4244.1 Ų44.126%0.25825%0.247SC..EExtended strand (participates in β ladder)trans-102.3112.7177.7-55.80000110.2K78 H100 T101K78-T95 PolarHBondContact O-N 3.27Å; T95-H100 WeakPolarHBondContact CA-O 3.13Å; T95-T101 PolarHBondContact OG1-OG1 3.38Å
96S78.4Confident89.2Confident21 Ų2142 Ų4215%0.14724%0.238CC..  trans-65.7161.4173.161.90000112.9A98 N99 H100S96-A98 PolarHBondContact O-N 3.23Å; S96-A98 VanDerWaalsContact O-N 3.15Å; S96-N99 WeakPolarHBondContact O-CA 3.35Å; S96-N99 PolarHBondContact O-N 3.38Å; S96-H100 PolarHBondContact N-O 3.13Å; S96-H100 WeakPolarHBondContact OG-CA 3.18Å; S96-H100 WeakPolarHBondContact OG-CB 3.46Å; S96-H100 PolarHBondContact OG-N 3.41Å; S96-H100 VanDerWaalsContact OG-N 3.12Å; S96-H100 PolarHBondContact OG-O 2.94Å
97P74.8Confident89.6Confident81 Ų8136.7 Ų36.753%0.52621%0.214SC..THydrogen-bonded Turntrans-58.2-26.8175.5-25.835.4000114.2T75 N99T75-P97 HydrophobicContact CG2-CB 4.42Å; T75-P97 HydrophobicContact CG2-CG 3.9Å; P97-N99 PolarHBondContact O-N 3.06Å
98A78.9Confident89.8Confident67 Ų6734.4 Ų34.455%0.55420%0.203SC*.THydrogen-bonded Turntrans-78.810.4174.900000113.6S96 H100S96-A98 PolarHBondContact O-N 3.23Å; S96-A98 VanDerWaalsContact O-N 3.15Å; A98-H100 PolarHBondContact O-N 3.08Å
99N81.4Confident89.8Confident126 Ų12637.9 Ų37.967%0.67421%0.214SC*.SBendtrans6121-175.9-64-41.4000115S96 P97S96-N99 WeakPolarHBondContact O-CA 3.35Å; S96-N99 PolarHBondContact O-N 3.38Å; P97-N99 PolarHBondContact O-N 3.06Å
100H83.6Confident89.9Confident77 Ų7740.7 Ų40.736%0.35623%0.227SC..  trans-83.4129.6166-60.3142000110.2T95 S96 A98 Y102 M118T95-H100 WeakPolarHBondContact CA-O 3.13Å; S96-H100 PolarHBondContact N-O 3.13Å; S96-H100 WeakPolarHBondContact OG-CA 3.18Å; S96-H100 WeakPolarHBondContact OG-CB 3.46Å; S96-H100 PolarHBondContact OG-N 3.41Å; S96-H100 VanDerWaalsContact OG-N 3.12Å; S96-H100 PolarHBondContact OG-O 2.94Å; A98-H100 PolarHBondContact O-N 3.08Å; H100-Y102 HydrophobicContact CB-CE2 4.29Å; H100-M118 HydrophobicContact CB-CB 3.82Å; H100-M118 HydrophobicContact CB-CG 3.77Å
101T88.2Confident90Very high43 Ų4341.1 Ų41.126%0.26423%0.232SC..EExtended strand (participates in β ladder)trans-111.5119.9-179.7-59.70000110V94 T95 M118V94-T101 CarbonylContact O-C 3.48Å; V94-T101 VanDerWaalsContact O-CA 3.3Å; V94-T101 WeakPolarHBondContact O-CA 3.48Å; T95-T101 PolarHBondContact OG1-OG1 3.38Å; T101-M118 WeakPolarHBondContact O-CB 3.3Å; T101-M118 VanDerWaalsContact O-SD 3.36Å
102Y91.5Very high90.1Very high47 Ų4741 Ų4118%0.18423%0.23CC..EExtended strand (participates in β ladder)trans-98.5140.1174.2-46.4-93000108.6S93 V94 H100 P117 M118 I206S93-Y102 WeakPolarHBondContact CA-O 3.11Å; V94-Y102 PolarHBondContact N-O 2.77Å; V94-Y102 PolarHBondContact O-N 2.98Å; H100-Y102 HydrophobicContact CB-CE2 4.29Å; Y102-P117 HydrophobicContact CD1-CB 3.94Å; Y102-P117 HydrophobicContact CE1-CB 4.34Å; Y102-M118 HydrophobicContact CE1-CB 4.38Å; Y102-I206 HydrophobicContact CD1-CD1 4.26Å; Y102-I206 HydrophobicContact CD1-CG1 4.04Å; Y102-I206 HydrophobicContact CG-CD1 4.46Å; Y102-I206 HydrophobicContact CG-CG1 4.22Å; Y102-I206 HydrophobicContact CG-CG2 4.41Å
103T94.6Very high90.3Very high29 Ų2941 Ų4118%0.17823%0.23CC..EExtended strand (participates in β ladder)trans-113.3132.1175.7-58.10000109.9T91 Y92 K116 L181T91-T103 HydrophobicContact CG2-CG2 3.64Å; Y92-T103 CarbonylContact O-C 3.55Å; Y92-T103 VanDerWaalsContact O-CA 3.3Å; Y92-T103 WeakPolarHBondContact O-CA 3.28Å; T103-K116 PolarHBondContact N-O 3.49Å; T103-K116 PolarHBondContact O-N 2.9Å; T103-L181 HydrophobicContact CG2-CD1 3.76Å; T103-L181 HydrophobicContact CG2-CD2 4.28Å
104V95.6Very high90.5Very high0 Ų039.4 Ų39.40%022%0.218CC..EExtended strand (participates in β ladder)trans-126.2116.7175.1-171.80000108.5T91 Y92 F106 I113 C114 Y115 I206 I208T91-V104 CarbonylContact C-O 3.59Å; T91-V104 WeakPolarHBondContact CA-O 3.46Å; Y92-V104 PolarHBondContact N-O 3.05Å; Y92-V104 PolarHBondContact O-N 2.86Å; V104-F106 HydrophobicContact CB-CE2 4.39Å; V104-F106 HydrophobicContact CG1-CD2 4.22Å; V104-F106 HydrophobicContact CG1-CE2 3.61Å; V104-F106 HydrophobicContact CG1-CZ 4.1Å; V104-I113 HydrophobicContact CG1-CG2 3.78Å; V104-C114 CarbonylContact C-O 3.57Å; V104-C114 WeakPolarHBondContact CA-O 3.2Å; V104-Y115 HydrophobicContact CB-CD1 4.28Å; V104-Y115 HydrophobicContact CG1-CD1 3.57Å; V104-Y115 HydrophobicContact CG1-CE1 3.6Å; V104-Y115 HydrophobicContact CG1-CG 4.35Å; V104-Y115 HydrophobicContact CG2-CD1 3.75Å; V104-Y115 HydrophobicContact CG2-CE1 4.34Å; V104-I206 HydrophobicContact CG2-CG2 4.23Å; V104-I208 HydrophobicContact CB-CD1 4.15Å; V104-I208 HydrophobicContact CG1-CD1 3.96Å; V104-I208 HydrophobicContact CG2-CD1 3.78Å; V104-I208 HydrophobicContact CG2-CG1 4.28Å
105L96.5Very high90.8Very high3 Ų339.3 Ų39.32%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-107.3120.6-179.3173.366.2000109.3L89 T91 I113 C114 P177 L178 L181L89-L105 HydrophobicContact CB-CD1 4.47Å; T91-L105 WeakPolarHBondContact OG1-CD1 3.37Å; L105-I113 CarbonylContact O-C 3.56Å; L105-I113 WeakPolarHBondContact O-CA 3.07Å; L105-C114 HydrophobicContact CB-CB 4.49Å; L105-C114 PolarHBondContact N-O 3.3Å; L105-C114 PolarHBondContact O-N 2.82Å; L105-P177 HydrophobicContact CD1-CG 4.31Å; L105-P177 HydrophobicContact CD2-CB 4.32Å; L105-P177 HydrophobicContact CD2-CG 3.87Å; L105-L178 HydrophobicContact CD2-CD2 3.84Å; L105-L178 HydrophobicContact CD2-CG 3.83Å; L105-L178 HydrophobicContact CG-CD2 4.43Å; L105-L181 HydrophobicContact CB-CD2 3.7Å; L105-L181 HydrophobicContact CD2-CD2 4.1Å
106F96.4Very high91.2Very high3 Ų338.9 Ų38.91%0.01321%0.212CC..EExtended strand (participates in β ladder)trans-97.6116.4169.6-65.1-99.9000108.3L89 V90 Y92 V104 V108 I113 M128 M136 F210L89-F106 WeakPolarHBondContact CA-O 3.34Å; V90-F106 HydrophobicContact CB-CB 4.28Å; V90-F106 PolarHBondContact N-O 2.81Å; V90-F106 PolarHBondContact O-N 3.01Å; Y92-F106 HydrophobicContact CD2-CD2 4.03Å; Y92-F106 AromaticContact CD2-CE2 3.73Å; Y92-F106 HydrophobicContact CD2-CE2 3.73Å; Y92-F106 HydrophobicContact CE2-CD2 4.37Å; Y92-F106 HydrophobicContact CE2-CE2 4.1Å; V104-F106 HydrophobicContact CB-CE2 4.39Å; V104-F106 HydrophobicContact CG1-CD2 4.22Å; V104-F106 HydrophobicContact CG1-CE2 3.61Å; V104-F106 HydrophobicContact CG1-CZ 4.1Å; F106-V108 HydrophobicContact CB-CG2 4.5Å; F106-I113 HydrophobicContact CD1-CB 4.49Å; F106-I113 HydrophobicContact CD1-CD1 4.06Å; F106-I113 HydrophobicContact CD1-CG1 3.82Å; F106-I113 HydrophobicContact CD1-CG2 4.03Å; F106-I113 HydrophobicContact CE1-CD1 3.71Å; F106-I113 HydrophobicContact CE1-CG1 3.95Å; F106-I113 HydrophobicContact CE1-CG2 3.88Å; F106-I113 HydrophobicContact CE2-CG2 4.45Å; F106-I113 HydrophobicContact CG-CG2 4.39Å; F106-I113 HydrophobicContact CZ-CG2 4.1Å; F106-M128 HydrophobicContact CD1-CE 4.28Å; F106-M136 HydrophobicContact CB-CG 4.03Å; F106-M136 HydrophobicContact CB-SD 3.72Å; F106-M136 HydrophobicContact CD1-CE 4.33Å; F106-M136 HydrophobicContact CD1-CG 3.79Å; F106-M136 HydrophobicContact CD1-SD 3.79Å; F106-M136 HydrophobicContact CD2-CE 4.37Å; F106-M136 HydrophobicContact CD2-SD 3.79Å; F106-M136 HydrophobicContact CE1-CE 4.29Å; F106-M136 HydrophobicContact CE1-CG 4.46Å; F106-M136 HydrophobicContact CE1-SD 4.33Å; F106-M136 HydrophobicContact CE2-CE 4.35Å; F106-M136 HydrophobicContact CE2-SD 4.35Å; F106-M136 HydrophobicContact CG-CE 4.37Å; F106-M136 HydrophobicContact CG-CG 3.98Å; F106-M136 HydrophobicContact CG-SD 3.49Å; F106-M136 WeakPolarHBondContact CG-SD 3.38Å; F106-M136 HydrophobicContact CZ-CE 4.31Å; F106-F210 HydrophobicContact CZ-CE1 4.32Å; F106-F210 HydrophobicContact CZ-CZ 4.31Å
107D95.9Very high91.7Very high2 Ų238 Ų381%0.01121%0.206CC..EExtended strand (participates in β ladder)trans-101.290.1169.4-175.7-21.6000107.8L89 K109 H110 G111 L112 L178L89-D107 HydrophobicContact CD2-CB 3.92Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 2.87Å; D107-K109 PolarHBondContact OD1-N 3.03Å; D107-H110 VanDerWaalsContact CG-ND1 3.26Å; D107-H110 PolarHBondContact O-N 2.78Å; D107-H110 IonicContact OD1-CG 3.85Å; D107-H110 PolarHBondContact OD1-N 3.26Å; D107-H110 IonicContact OD1-ND1 3.54Å; D107-H110 PolarHBondContact OD1-ND1 2.05Å; D107-H110 VanDerWaalsContact OD1-ND1 3.1Å; D107-H110 IonicContact OD2-CE1 2.92Å; D107-H110 IonicContact OD2-CG 2.74Å; D107-H110 IonicContact OD2-ND1 2.74Å; D107-H110 PolarHBondContact OD2-ND1 2.67Å; D107-G111 WeakPolarHBondContact O-CA 3.42Å; D107-G111 PolarHBondContact O-N 3.19Å; D107-L112 HydrophobicContact CB-CB 4.44Å; D107-L112 PolarHBondContact N-O 3.44Å; D107-L112 PolarHBondContact O-N 2.76Å; D107-L178 HydrophobicContact CB-CD1 3.99Å
108V95.3Very high92Very high28 Ų2837.2 Ų37.217%0.1720%0.196CC..THydrogen-bonded Turntrans-69.2-32.6-173-175.40000110.6D88 F106 G111 M128 Y133 M136 L140D88-V108 HydrophobicContact CB-CB 4.18Å; D88-V108 VanDerWaalsContact O-CB 3.31Å; D88-V108 WeakPolarHBondContact O-CB 3.43Å; D88-V108 WeakPolarHBondContact O-CG2 2.95Å; D88-V108 PolarHBondContact O-N 3.09Å; F106-V108 HydrophobicContact CB-CG2 4.5Å; V108-G111 PolarHBondContact O-N 3.23Å; V108-M128 HydrophobicContact CG2-CE 4.16Å; V108-M128 HydrophobicContact CG2-SD 4.41Å; V108-Y133 HydrophobicContact CG1-CD1 3.86Å; V108-Y133 HydrophobicContact CG1-CE1 4.06Å; V108-M136 HydrophobicContact CG2-CB 3.79Å; V108-M136 HydrophobicContact CG2-CG 3.95Å; V108-L140 HydrophobicContact CB-CD1 4.28Å; V108-L140 HydrophobicContact CG1-CD1 4.33Å; V108-L140 HydrophobicContact CG2-CD1 3.94Å
109K93.5Very high91.4Very high138 Ų13840.7 Ų40.760%0.621%0.205SC*.THydrogen-bonded Turntrans-63.4-43.2178.2-176.5-176.3173.4-157.40112D88 D107D88-K109 HydrophobicContact CB-CB 4.21Å; D107-K109 VanDerWaalsContact C-N 3.27Å; D107-K109 PolarHBondContact O-N 2.87Å; D107-K109 PolarHBondContact OD1-N 3.03Å
110H94.8Very high90.8Very high77 Ų7736.6 Ų36.636%0.35618%0.182SC..THydrogen-bonded Turntrans-97.1-3.3-179.5-54.5118.7000113.6D107 L112 E175D107-H110 VanDerWaalsContact CG-ND1 3.26Å; D107-H110 PolarHBondContact O-N 2.78Å; D107-H110 IonicContact OD1-CG 3.85Å; D107-H110 PolarHBondContact OD1-N 3.26Å; D107-H110 IonicContact OD1-ND1 3.54Å; D107-H110 PolarHBondContact OD1-ND1 2.05Å; D107-H110 VanDerWaalsContact OD1-ND1 3.1Å; D107-H110 IonicContact OD2-CE1 2.92Å; D107-H110 IonicContact OD2-CG 2.74Å; D107-H110 IonicContact OD2-ND1 2.74Å; D107-H110 PolarHBondContact OD2-ND1 2.67Å; H110-L112 HydrophobicContact CB-CD1 4.44Å; H110-E175 IonicContact CE1-OE2 3.79Å; H110-E175 PolarHBondContact CE1-OE2 2.84Å; H110-E175 VanDerWaalsContact CE1-OE2 3.31Å; H110-E175 IonicContact NE2-OE2 3.91Å; H110-E175 PolarHBondContact NE2-OE2 3.34Å
111G96.1Very high90.8Very high9 Ų940.6 Ų40.69%0.09320%0.201CC..THydrogen-bonded Turntrans7036176.400000113.5D107 V108 M128 Y133D107-G111 WeakPolarHBondContact O-CA 3.42Å; D107-G111 PolarHBondContact O-N 3.19Å; V108-G111 PolarHBondContact O-N 3.23Å; G111-M128 PolarHBondContact O-N 2.84Å; G111-Y133 WeakPolarHBondContact CA-OH 3.48Å
112L96.5Very high90.9Very high28 Ų2840 Ų4015%0.14720%0.196CC..EExtended strand (participates in β ladder)trans-120.8146.8-176-65.1175.3000111.9D107 H110 L125 S126 L178 W189D107-L112 HydrophobicContact CB-CB 4.44Å; D107-L112 PolarHBondContact N-O 3.44Å; D107-L112 PolarHBondContact O-N 2.76Å; H110-L112 HydrophobicContact CB-CD1 4.44Å; L112-L125 HydrophobicContact CB-CD1 4.33Å; L112-L125 HydrophobicContact CD2-CG 4.43Å; L112-S126 WeakPolarHBondContact CA-O 3.4Å; L112-L178 HydrophobicContact CB-CD1 4.31Å; L112-L178 HydrophobicContact CD1-CD1 3.98Å; L112-W189 HydrophobicContact CD2-CH2 3.69Å; L112-W189 HydrophobicContact CD2-CZ3 3.97Å
113I97.3Very high91Very high0 Ų037.7 Ų37.70%019%0.187CC..EExtended strand (participates in β ladder)trans-122.4126.8170.1-43.9173000107.8V104 L105 F106 Y115 L125 S126 M128 D132V104-I113 HydrophobicContact CG1-CG2 3.78Å; L105-I113 CarbonylContact O-C 3.56Å; L105-I113 WeakPolarHBondContact O-CA 3.07Å; F106-I113 HydrophobicContact CD1-CB 4.49Å; F106-I113 HydrophobicContact CD1-CD1 4.06Å; F106-I113 HydrophobicContact CD1-CG1 3.82Å; F106-I113 HydrophobicContact CD1-CG2 4.03Å; F106-I113 HydrophobicContact CE1-CD1 3.71Å; F106-I113 HydrophobicContact CE1-CG1 3.95Å; F106-I113 HydrophobicContact CE1-CG2 3.88Å; F106-I113 HydrophobicContact CE2-CG2 4.45Å; F106-I113 HydrophobicContact CG-CG2 4.39Å; F106-I113 HydrophobicContact CZ-CG2 4.1Å; I113-Y115 HydrophobicContact CB-CE2 3.97Å; I113-Y115 HydrophobicContact CG2-CD2 4.26Å; I113-Y115 HydrophobicContact CG2-CE1 4.02Å; I113-Y115 HydrophobicContact CG2-CE2 3.6Å; I113-Y115 VanDerWaalsContact CG2-CZ 3.46Å; I113-L125 CarbonylContact O-C 3.53Å; I113-L125 WeakPolarHBondContact O-CA 3.49Å; I113-S126 PolarHBondContact N-O 2.82Å; I113-S126 PolarHBondContact O-N 2.76Å; I113-M128 HydrophobicContact CD1-CG 3.92Å; I113-M128 HydrophobicContact CG1-CB 4.49Å; I113-M128 HydrophobicContact CG1-CG 3.41Å; I113-M128 VanDerWaalsContact CG1-CG 3.41Å; I113-D132 HydrophobicContact CD1-CB 4.16Å
114C96.2Very high91Very high1 Ų136.3 Ų36.31%0.00718%0.179CC..EExtended strand (participates in β ladder)trans-115123.5174179.70000110.9V104 L105 Y124 L125 L178 L181 C182V104-C114 CarbonylContact C-O 3.57Å; V104-C114 WeakPolarHBondContact CA-O 3.2Å; L105-C114 HydrophobicContact CB-CB 4.49Å; L105-C114 PolarHBondContact N-O 3.3Å; L105-C114 PolarHBondContact O-N 2.82Å; C114-Y124 WeakPolarHBondContact CA-O 3.37Å; C114-L125 HydrophobicContact CB-CD1 4.03Å; C114-L178 HydrophobicContact CB-CD2 3.17Å; C114-L181 HydrophobicContact CB-CD2 4.3Å; C114-C182 PolarHBondContact SG-SG 3.32Å
115Y95.4Very high91Very high3 Ų336.3 Ų36.31%0.01218%0.179CC..EExtended strand (participates in β ladder)trans-103.1121.1175-52-94.8000108.9V104 I113 P117 C123 Y124 L161 I206 I208 V218 F220V104-Y115 HydrophobicContact CB-CD1 4.28Å; V104-Y115 HydrophobicContact CG1-CD1 3.57Å; V104-Y115 HydrophobicContact CG1-CE1 3.6Å; V104-Y115 HydrophobicContact CG1-CG 4.35Å; V104-Y115 HydrophobicContact CG2-CD1 3.75Å; V104-Y115 HydrophobicContact CG2-CE1 4.34Å; I113-Y115 HydrophobicContact CB-CE2 3.97Å; I113-Y115 HydrophobicContact CG2-CD2 4.26Å; I113-Y115 HydrophobicContact CG2-CE1 4.02Å; I113-Y115 HydrophobicContact CG2-CE2 3.6Å; I113-Y115 VanDerWaalsContact CG2-CZ 3.46Å; Y115-P117 WeakPolarHBondContact O-CD 3.43Å; Y115-C123 WeakPolarHBondContact O-CA 3.4Å; Y115-Y124 WeakPolarHBondContact CD2-O 3.31Å; Y115-Y124 PolarHBondContact N-O 3.26Å; Y115-Y124 PolarHBondContact O-N 3.26Å; Y115-L161 HydrophobicContact CD2-CD1 4.32Å; Y115-L161 HydrophobicContact CE2-CD1 3.68Å; Y115-I206 HydrophobicContact CD1-CD1 4.39Å; Y115-I208 HydrophobicContact CE1-CD1 4.16Å; Y115-V218 HydrophobicContact CE1-CB 4.43Å; Y115-V218 HydrophobicContact CE1-CG1 4.09Å; Y115-V218 HydrophobicContact CE1-CG2 4.26Å; Y115-F220 AromaticContact CD1-CZ 3.93Å; Y115-F220 HydrophobicContact CD1-CZ 3.93Å; Y115-F220 HydrophobicContact CD2-CE1 4.22Å; Y115-F220 AromaticContact CD2-CZ 3.82Å; Y115-F220 HydrophobicContact CD2-CZ 3.82Å; Y115-F220 HydrophobicContact CE1-CZ 4.43Å; Y115-F220 HydrophobicContact CE2-CZ 4.33Å; Y115-F220 HydrophobicContact CG-CE1 4.36Å; Y115-F220 AromaticContact CG-CZ 3.6Å; Y115-F220 HydrophobicContact CG-CZ 3.6Å
116K93.8Very high91Very high34 Ų3436.4 Ų36.415%0.14818%0.179CC..EExtended strand (participates in β ladder)trans-115.597.5174.7178.470.3-153.9154.90109.2T103 Q120 N122 C123 L181 S185T103-K116 PolarHBondContact N-O 3.49Å; T103-K116 PolarHBondContact O-N 2.9Å; K116-Q120 PolarHBondContact NZ-O 3.33Å; K116-N122 PolarHBondContact NZ-O 2.88Å; K116-N122 VanDerWaalsContact NZ-O 3.12Å; K116-C123 WeakPolarHBondContact CD-SG 3.45Å; K116-L181 HydrophobicContact CB-CD1 3.99Å; K116-L181 HydrophobicContact CB-CD2 4.3Å; K116-L181 HydrophobicContact CB-CG 4.06Å; K116-L181 HydrophobicContact CG-CD1 4.14Å; K116-L181 HydrophobicContact CG-CG 4.47Å; K116-S185 PolarHBondContact NZ-OG 3.14Å
117P89.4Confident91Very high3 Ų343.4 Ų43.42%0.01921%0.21CC..  trans-72.1153.8175.2-1731.6000112.6Y102 Y115 Q120 Y124 F204 I206Y102-P117 HydrophobicContact CD1-CB 3.94Å; Y102-P117 HydrophobicContact CE1-CB 4.34Å; Y115-P117 WeakPolarHBondContact O-CD 3.43Å; P117-Q120 HydrophobicContact CB-CB 4.39Å; P117-Q120 HydrophobicContact CB-CG 4.12Å; P117-Y124 HydrophobicContact CG-CD2 4.03Å; P117-Y124 HydrophobicContact CG-CE2 3.81Å; P117-F204 HydrophobicContact CB-CE2 4.2Å; P117-F204 HydrophobicContact CB-CZ 4.32Å; P117-F204 HydrophobicContact CG-CD2 4.47Å; P117-F204 HydrophobicContact CG-CE1 4.2Å; P117-F204 HydrophobicContact CG-CE2 3.57Å; P117-F204 HydrophobicContact CG-CZ 3.43Å; P117-F204 VanDerWaalsContact CG-CZ 3.43Å; P117-I206 HydrophobicContact CG-CD1 4.45Å
118M81.1Confident91Very high64 Ų6444 Ų4432%0.31521%0.213SC..THydrogen-bonded Turntrans-61.5136.7176-16866.6144.700111H100 T101 Y102 Q120H100-M118 HydrophobicContact CB-CB 3.82Å; H100-M118 HydrophobicContact CB-CG 3.77Å; T101-M118 WeakPolarHBondContact O-CB 3.3Å; T101-M118 VanDerWaalsContact O-SD 3.36Å; Y102-M118 HydrophobicContact CE1-CB 4.38Å; M118-Q120 PolarHBondContact O-N 2.9Å
119N67.1Low90.9Very high140 Ų14047.3 Ų47.375%0.74923%0.226SC*.THydrogen-bonded Turntrans5522.7171.9-62.7-19.4000115.4
120Q68.4Low90.9Very high39 Ų3948.1 Ų48.118%0.18223%0.23CC..  trans-104143.5171-63.5-147-8.900111K116 P117 M118 N122 Y124 Y203K116-Q120 PolarHBondContact NZ-O 3.33Å; P117-Q120 HydrophobicContact CB-CB 4.39Å; P117-Q120 HydrophobicContact CB-CG 4.12Å; M118-Q120 PolarHBondContact O-N 2.9Å; Q120-N122 PolarHBondContact O-N 2.85Å; Q120-Y124 PolarHBondContact OE1-OH 2.89Å; Q120-Y203 VanDerWaalsContact NE2-CZ 3.28Å; Q120-Y203 PolarHBondContact NE2-OH 3.34Å
121E83.6Confident90.6Very high162 Ų16246.4 Ų46.476%0.75723%0.226SC*.SBendtrans-73.10.4171.3-62.9-177.617700112.2S185 S186E121-S185 CarbonylContact O-C 3.57Å; E121-S185 WeakPolarHBondContact O-CA 3.33Å; E121-S185 WeakPolarHBondContact O-CB 3.49Å; E121-S186 PolarHBondContact O-N 2.97Å
122N90.4Very high90.5Very high29 Ų2946.2 Ų46.216%0.15522%0.223CC..EExtended strand (participates in β ladder)trans-114.4146.4-174-59.3-16.4000111.9K116 Q120 Y124 S186K116-N122 PolarHBondContact NZ-O 2.88Å; K116-N122 VanDerWaalsContact NZ-O 3.12Å; Q120-N122 PolarHBondContact O-N 2.85Å; N122-Y124 HydrophobicContact CB-CE1 4.33Å; N122-Y124 HydrophobicContact CB-CE2 4.09Å; N122-S186 CarbonylContact C-O 3.55Å; N122-S186 VanDerWaalsContact CA-O 3.24Å; N122-S186 WeakPolarHBondContact CA-O 3.31Å; N122-S186 PolarHBondContact OD1-OG 3.42Å
123C93.8Very high90.3Very high0 Ų049 Ų490%023%0.233CC..EExtended strand (participates in β ladder)trans-114.9150161.9-82.50000108.4Y115 K116 C182 S186 I187 H188Y115-C123 WeakPolarHBondContact O-CA 3.4Å; K116-C123 WeakPolarHBondContact CD-SG 3.45Å; C123-C182 HydrophobicContact CB-CB 3.91Å; C123-C182 WeakPolarHBondContact CB-SG 3.35Å; C123-C182 VanDerWaalsContact SG-CA 3.55Å; C123-C182 WeakPolarHBondContact SG-CB 3.34Å; C123-C182 CovalentContact SG-SG 2.04Å; C123-C182 PolarHBondContact SG-SG 3.12Å; C123-S186 PolarHBondContact N-O 2.83Å; C123-I187 HydrophobicContact CB-CB 4.41Å; C123-I187 HydrophobicContact CB-CG1 3.88Å; C123-I187 HydrophobicContact CB-CG2 4.43Å; C123-I187 WeakPolarHBondContact O-CA 3.43Å; C123-H188 PolarHBondContact O-N 3.43Å
124Y94.5Very high90Very high0 Ų054 Ų540%026%0.255CS..EExtended strand (participates in β ladder)trans-122.4124.3179.2-56.5-80.2000109.2C114 Y115 P117 Q120 N122 V163 H188 T190 F204 F220C114-Y124 WeakPolarHBondContact CA-O 3.37Å; Y115-Y124 WeakPolarHBondContact CD2-O 3.31Å; Y115-Y124 PolarHBondContact N-O 3.26Å; Y115-Y124 PolarHBondContact O-N 3.26Å; P117-Y124 HydrophobicContact CG-CD2 4.03Å; P117-Y124 HydrophobicContact CG-CE2 3.81Å; Q120-Y124 PolarHBondContact OE1-OH 2.89Å; N122-Y124 HydrophobicContact CB-CE1 4.33Å; N122-Y124 HydrophobicContact CB-CE2 4.09Å; Y124-V163 HydrophobicContact CD1-CG1 4.21Å; Y124-V163 HydrophobicContact CD1-CG2 3.75Å; Y124-V163 HydrophobicContact CE1-CB 4.47Å; Y124-V163 HydrophobicContact CE1-CG1 4Å; Y124-V163 HydrophobicContact CE1-CG2 3.57Å; Y124-H188 WeakPolarHBondContact CA-O 3.22Å; Y124-H188 HydrophobicContact CD1-CB 4.29Å; Y124-T190 HydrophobicContact CD1-CG2 3.95Å; Y124-T190 HydrophobicContact CG-CG2 4.25Å; Y124-F204 AromaticContact CD2-CZ 3.89Å; Y124-F204 HydrophobicContact CD2-CZ 3.89Å; Y124-F204 AromaticContact CE2-CE1 3.75Å; Y124-F204 HydrophobicContact CE2-CE1 3.75Å; Y124-F204 AromaticContact CE2-CZ 3.5Å; Y124-F204 HydrophobicContact CE2-CZ 3.5Å; Y124-F204 VanDerWaalsContact CE2-CZ 3.5Å; Y124-F220 HydrophobicContact CD1-CD1 4.3Å; Y124-F220 HydrophobicContact CD2-CD1 4.34Å; Y124-F220 HydrophobicContact CD2-CE1 4.22Å; Y124-F220 HydrophobicContact CG-CD1 4.03Å; Y124-F220 AromaticContact CG-CE1 3.88Å; Y124-F220 HydrophobicContact CG-CE1 3.88Å
125L95.6Very high89.6Confident0 Ų054.8 Ų54.80%026%0.26CS..EExtended strand (participates in β ladder)trans-107.2131.7-177.8-163.866.3000109.2L112 I113 C114 V169 L174 L178 I187 H188 W189 T190L112-L125 HydrophobicContact CB-CD1 4.33Å; L112-L125 HydrophobicContact CD2-CG 4.43Å; I113-L125 CarbonylContact O-C 3.53Å; I113-L125 WeakPolarHBondContact O-CA 3.49Å; C114-L125 HydrophobicContact CB-CD1 4.03Å; L125-V169 HydrophobicContact CD2-CG2 4.48Å; L125-L174 HydrophobicContact CD2-CD2 3.95Å; L125-L178 HydrophobicContact CD1-CD2 4.13Å; L125-I187 HydrophobicContact CB-CG2 3.96Å; L125-H188 PolarHBondContact N-O 2.92Å; L125-W189 HydrophobicContact CB-CD2 4.46Å; L125-W189 HydrophobicContact CB-CE3 4.01Å; L125-W189 HydrophobicContact CB-CZ3 4.11Å; L125-W189 HydrophobicContact CD2-CD2 4.35Å; L125-W189 HydrophobicContact CD2-CE3 4.13Å; L125-W189 HydrophobicContact CD2-CH2 3.35Å; L125-W189 HydrophobicContact CD2-CZ2 3.6Å; L125-W189 HydrophobicContact CD2-CZ3 3.65Å; L125-W189 HydrophobicContact CG-CE3 4.02Å; L125-W189 HydrophobicContact CG-CH2 3.84Å; L125-W189 HydrophobicContact CG-CZ2 4.45Å; L125-W189 HydrophobicContact CG-CZ3 3.59Å; L125-W189 CarbonylContact O-C 3.59Å; L125-W189 WeakPolarHBondContact O-CA 3.44Å; L125-T190 PolarHBondContact O-N 2.98Å; L125-T190 PolarHBondContact O-OG1 3.44Å
126S95.8Very high89.2Confident5 Ų554.7 Ų54.74%0.03526%0.259CS..EExtended strand (participates in β ladder)trans-126.9155174-169.90000109.7L112 I113 T190L112-S126 WeakPolarHBondContact CA-O 3.4Å; I113-S126 PolarHBondContact N-O 2.82Å; I113-S126 PolarHBondContact O-N 2.76Å; S126-T190 WeakPolarHBondContact CB-OG1 3.47Å
127K95.7Very high88.8Confident149 Ų14957.8 Ų57.865%0.64828%0.275SS*.EExtended strand (participates in β ladder)trans-81.7144.4164.5-65.2-174178-176.20109.1W189K127-W189 HydrophobicContact CG-CZ3 4.1Å
128M95.9Very high88.3Confident15 Ų1559.1 Ų59.17%0.07428%0.284CS..  trans-71.6137.1171-70.3-17872.600110.4F106 V108 G111 I113 D132 Y133 M136F106-M128 HydrophobicContact CD1-CE 4.28Å; V108-M128 HydrophobicContact CG2-CE 4.16Å; V108-M128 HydrophobicContact CG2-SD 4.41Å; G111-M128 PolarHBondContact O-N 2.84Å; I113-M128 HydrophobicContact CD1-CG 3.92Å; I113-M128 HydrophobicContact CG1-CB 4.49Å; I113-M128 HydrophobicContact CG1-CG 3.41Å; I113-M128 VanDerWaalsContact CG1-CG 3.41Å; M128-D132 HydrophobicContact CB-CB 4.06Å; M128-D132 HydrophobicContact CE-CB 3.68Å; M128-D132 HydrophobicContact CG-CB 4.16Å; M128-Y133 HydrophobicContact CB-CD2 4.2Å; M128-Y133 HydrophobicContact CB-CE1 4.38Å; M128-Y133 HydrophobicContact CB-CE2 3.56Å; M128-Y133 HydrophobicContact CE-CD1 3.84Å; M128-Y133 HydrophobicContact CE-CE1 4.03Å; M128-Y133 HydrophobicContact CE-CG 4.09Å; M128-Y133 HydrophobicContact SD-CD1 4.49Å; M128-Y133 HydrophobicContact SD-CE1 4.09Å; M128-M136 HydrophobicContact CE-CB 4.48Å; M128-M136 HydrophobicContact CE-CG 3.93Å
129E95Very high88.3Confident97 Ų9756.1 Ų56.145%0.45327%0.269SS..  trans-105.5178.1166.3-52.9-179.7164.100110.5S131 D132 Y133 R192E129-S131 VanDerWaalsContact C-N 3.29Å; E129-S131 PolarHBondContact O-N 2.92Å; E129-D132 PolarHBondContact N-OD2 3.36Å; E129-D132 WeakPolarHBondContact O-CB 3.42Å; E129-D132 PolarHBondContact O-N 2.9Å; E129-Y133 WeakPolarHBondContact O-CD2 3.46Å; E129-Y133 PolarHBondContact O-N 2.9Å; E129-R192 VanDerWaalsContact CB-NH1 3.27Å; E129-R192 VanDerWaalsContact CG-NH1 3.31Å; E129-R192 VanDerWaalsContact OE2-CD 3.28Å; E129-R192 WeakPolarHBondContact OE2-CD 3.31Å; E129-R192 IonicContact OE2-CZ 3.31Å; E129-R192 IonicContact OE2-NE 2.74Å; E129-R192 IonicContact OE2-NH1 3.48Å; E129-R192 PolarHBondContact OE2-NH1 3.15Å
130K93.3Very high89.1Confident156 Ų15650.6 Ų50.668%0.67824%0.24SC*.Hα-helixtrans-53.4-43.9-174.1-165.2-172.2-178.6-121.60113.3D132 Y133 E134K130-D132 VanDerWaalsContact C-N 3.27Å; K130-D132 PolarHBondContact O-N 3.48Å; K130-Y133 PolarHBondContact O-N 2.7Å; K130-E134 WeakPolarHBondContact CE-OE1 3.31Å; K130-E134 IonicContact NZ-OE1 3.73Å; K130-E134 PolarHBondContact NZ-OE1 3.13Å; K130-E134 WeakPolarHBondContact O-CG 3.22Å; K130-E134 PolarHBondContact O-N 3.22Å
131S88.8Confident89.6Confident40 Ų4055.2 Ų55.228%0.2826%0.261SS..Hα-helixtrans-61.6-34.3178.449.80000112.6E129 E134 N135E129-S131 VanDerWaalsContact C-N 3.29Å; E129-S131 PolarHBondContact O-N 2.92Å; S131-E134 PolarHBondContact O-N 2.74Å; S131-N135 WeakPolarHBondContact O-CB 3.48Å; S131-N135 VanDerWaalsContact O-CG 3.24Å; S131-N135 PolarHBondContact O-N 3.42Å; S131-N135 PolarHBondContact O-ND2 3.27Å
132D92.7Very high88.8Confident5 Ų552.8 Ų52.83%0.02725%0.25CC..Hα-helixtrans-68.3-43.7178.3-55.8-58.2000110.9I113 M128 E129 K130 N135 M136 R192I113-D132 HydrophobicContact CD1-CB 4.16Å; M128-D132 HydrophobicContact CB-CB 4.06Å; M128-D132 HydrophobicContact CE-CB 3.68Å; M128-D132 HydrophobicContact CG-CB 4.16Å; E129-D132 PolarHBondContact N-OD2 3.36Å; E129-D132 WeakPolarHBondContact O-CB 3.42Å; E129-D132 PolarHBondContact O-N 2.9Å; K130-D132 VanDerWaalsContact C-N 3.27Å; K130-D132 PolarHBondContact O-N 3.48Å; D132-N135 PolarHBondContact O-N 2.86Å; D132-M136 WeakPolarHBondContact O-CB 3.06Å; D132-M136 VanDerWaalsContact O-CG 3.28Å; D132-M136 WeakPolarHBondContact O-CG 3.08Å; D132-M136 PolarHBondContact O-N 3.02Å; D132-R192 IonicContact OD1-CZ 3.86Å; D132-R192 IonicContact OD1-NH1 3.19Å; D132-R192 IonicContact OD1-NH2 2.82Å; D132-R192 PolarHBondContact OD1-NH2 3.23Å; D132-R192 IonicContact OD2-CZ 3.1Å; D132-R192 VanDerWaalsContact OD2-CZ 3.28Å; D132-R192 IonicContact OD2-NH1 3.58Å; D132-R192 PolarHBondContact OD2-NH1 2.81Å; D132-R192 IonicContact OD2-NH2 3.6Å; D132-R192 PolarHBondContact OD2-NH2 2.8Å
133Y93.1Very high87.2Confident88 Ų8855.7 Ų55.735%0.34527%0.272SS..Hα-helixtrans-61.6-45.1174.5-68.7-77.3000111.5V108 G111 M128 E129 K130 N135 M136 Q137V108-Y133 HydrophobicContact CG1-CD1 3.86Å; V108-Y133 HydrophobicContact CG1-CE1 4.06Å; G111-Y133 WeakPolarHBondContact CA-OH 3.48Å; M128-Y133 HydrophobicContact CB-CD2 4.2Å; M128-Y133 HydrophobicContact CB-CE1 4.38Å; M128-Y133 HydrophobicContact CB-CE2 3.56Å; M128-Y133 HydrophobicContact CE-CD1 3.84Å; M128-Y133 HydrophobicContact CE-CE1 4.03Å; M128-Y133 HydrophobicContact CE-CG 4.09Å; M128-Y133 HydrophobicContact SD-CD1 4.49Å; M128-Y133 HydrophobicContact SD-CE1 4.09Å; E129-Y133 WeakPolarHBondContact O-CD2 3.46Å; E129-Y133 PolarHBondContact O-N 2.9Å; K130-Y133 PolarHBondContact O-N 2.7Å; Y133-N135 VanDerWaalsContact C-N 3.34Å; Y133-N135 PolarHBondContact O-N 3.18Å; Y133-M136 PolarHBondContact O-N 2.63Å; Y133-Q137 VanDerWaalsContact O-CB 3.22Å; Y133-Q137 WeakPolarHBondContact O-CB 3.4Å; Y133-Q137 PolarHBondContact O-N 3.46Å
134E89.7Confident85.4Confident103 Ų10357.3 Ų57.348%0.48128%0.28SS..Hα-helixtrans-59.8-43.9177.9-71.8172.7-179.400111.2K130 S131K130-E134 WeakPolarHBondContact CE-OE1 3.31Å; K130-E134 IonicContact NZ-OE1 3.73Å; K130-E134 PolarHBondContact NZ-OE1 3.13Å; K130-E134 WeakPolarHBondContact O-CG 3.22Å; K130-E134 PolarHBondContact O-N 3.22Å; S131-E134 PolarHBondContact O-N 2.74Å
135N87.6Confident83.4Confident19 Ų1965.1 Ų65.110%0.10232%0.317CS..Hα-helixtrans-63-43.3175.5-73.5-30.3000112S131 D132 Y133 S138 F210S131-N135 WeakPolarHBondContact O-CB 3.48Å; S131-N135 VanDerWaalsContact O-CG 3.24Å; S131-N135 PolarHBondContact O-N 3.42Å; S131-N135 PolarHBondContact O-ND2 3.27Å; D132-N135 PolarHBondContact O-N 2.86Å; Y133-N135 VanDerWaalsContact C-N 3.34Å; Y133-N135 PolarHBondContact O-N 3.18Å; N135-S138 PolarHBondContact O-OG 2.98Å; N135-F210 HydrophobicContact CB-CD1 4.23Å; N135-F210 HydrophobicContact CB-CE1 4.28Å; N135-F210 HydrophobicContact CB-CG 4.45Å; N135-F210 HydrophobicContact CB-CZ 4.48Å
136M89Confident81.4Confident0 Ų070.9 Ų70.90%035%0.352CS..Hα-helixtrans-75.1-35.2-176.5-69.5-54.794.900113.4V90 Y92 F106 V108 M128 D132 Y133 S138 L139 L140 F210V90-M136 HydrophobicContact CB-SD 3.66Å; V90-M136 HydrophobicContact CG1-SD 3.91Å; V90-M136 HydrophobicContact CG2-SD 3.82Å; Y92-M136 HydrophobicContact CE2-CE 4.05Å; F106-M136 HydrophobicContact CB-CG 4.03Å; F106-M136 HydrophobicContact CB-SD 3.72Å; F106-M136 HydrophobicContact CD1-CE 4.33Å; F106-M136 HydrophobicContact CD1-CG 3.79Å; F106-M136 HydrophobicContact CD1-SD 3.79Å; F106-M136 HydrophobicContact CD2-CE 4.37Å; F106-M136 HydrophobicContact CD2-SD 3.79Å; F106-M136 HydrophobicContact CE1-CE 4.29Å; F106-M136 HydrophobicContact CE1-CG 4.46Å; F106-M136 HydrophobicContact CE1-SD 4.33Å; F106-M136 HydrophobicContact CE2-CE 4.35Å; F106-M136 HydrophobicContact CE2-SD 4.35Å; F106-M136 HydrophobicContact CG-CE 4.37Å; F106-M136 HydrophobicContact CG-CG 3.98Å; F106-M136 HydrophobicContact CG-SD 3.49Å; F106-M136 WeakPolarHBondContact CG-SD 3.38Å; F106-M136 HydrophobicContact CZ-CE 4.31Å; V108-M136 HydrophobicContact CG2-CB 3.79Å; V108-M136 HydrophobicContact CG2-CG 3.95Å; M128-M136 HydrophobicContact CE-CB 4.48Å; M128-M136 HydrophobicContact CE-CG 3.93Å; D132-M136 WeakPolarHBondContact O-CB 3.06Å; D132-M136 VanDerWaalsContact O-CG 3.28Å; D132-M136 WeakPolarHBondContact O-CG 3.08Å; D132-M136 PolarHBondContact O-N 3.02Å; Y133-M136 PolarHBondContact O-N 2.63Å; M136-S138 PolarHBondContact O-N 2.82Å; M136-L139 HydrophobicContact CE-CD1 3.71Å; M136-L139 WeakPolarHBondContact O-CB 3.43Å; M136-L139 PolarHBondContact O-N 2.98Å; M136-L139 HydrophobicContact SD-CD1 4.1Å; M136-L140 PolarHBondContact O-N 2.78Å; M136-L140 VanDerWaalsContact O-N 3.09Å; M136-F210 HydrophobicContact CE-CD1 3.62Å; M136-F210 HydrophobicContact CE-CE1 3.24Å; M136-F210 HydrophobicContact CE-CZ 4.3Å
137Q85.3Confident79.5Confident100 Ų10076.4 Ų76.447%0.46738%0.377SS..Hα-helixtrans-61.2-34.7-178.6-171.7164.122.800111.7Y133 L139 L140 Q141Y133-Q137 VanDerWaalsContact O-CB 3.22Å; Y133-Q137 WeakPolarHBondContact O-CB 3.4Å; Y133-Q137 PolarHBondContact O-N 3.46Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 3.08Å; Q137-L140 PolarHBondContact O-N 3.1Å; Q137-Q141 VanDerWaalsContact CG-CD 3.43Å; Q137-Q141 HydrophobicContact CG-CG 4.04Å; Q137-Q141 VanDerWaalsContact O-CB 3.29Å; Q137-Q141 WeakPolarHBondContact O-CB 3.37Å; Q137-Q141 VanDerWaalsContact O-CG 3.29Å; Q137-Q141 WeakPolarHBondContact O-CG 3.5Å; Q137-Q141 PolarHBondContact O-N 3.28Å
138S78Confident77.9Confident31 Ų3171.2 Ų71.222%0.21736%0.358CS..Hα-helixtrans-58.4-38174.474.20000113N135 M136 Q142N135-S138 PolarHBondContact O-OG 2.98Å; M136-S138 PolarHBondContact O-N 2.82Å; S138-Q142 VanDerWaalsContact O-CB 3.31Å; S138-Q142 WeakPolarHBondContact O-CB 3.35Å; S138-Q142 WeakPolarHBondContact O-CG 3.3Å; S138-Q142 PolarHBondContact O-N 3.03Å
139L80.9Confident76.2Confident1 Ų176.9 Ų76.91%0.00539%0.388CS..Hα-helixtrans-77.9-42.8-179.2-69.2159.2000112.7V83 V90 Y92 M136 Q137 M144 P211V83-L139 HydrophobicContact CG2-CB 4.45Å; V90-L139 HydrophobicContact CG1-CD1 3.96Å; Y92-L139 HydrophobicContact CE2-CD1 4.21Å; Y92-L139 WeakPolarHBondContact OH-CD1 3.45Å; M136-L139 HydrophobicContact CE-CD1 3.71Å; M136-L139 WeakPolarHBondContact O-CB 3.43Å; M136-L139 PolarHBondContact O-N 2.98Å; M136-L139 HydrophobicContact SD-CD1 4.1Å; Q137-L139 VanDerWaalsContact C-N 3.28Å; Q137-L139 PolarHBondContact O-N 3.08Å; L139-M144 HydrophobicContact CD2-CE 4.24Å; L139-P211 HydrophobicContact CD2-CG 3.51Å
140L83.5Confident74.8Confident24 Ų2472.8 Ų72.813%0.12637%0.369CS..Hα-helixtrans-68.8-38.6-178.2-69.9169.5000111V83 K85 D88 V90 V108 M136 Q137V83-L140 HydrophobicContact CG1-CD2 3.93Å; K85-L140 WeakPolarHBondContact CD-O 3.21Å; K85-L140 VanDerWaalsContact CE-O 3.22Å; K85-L140 WeakPolarHBondContact CE-O 3.33Å; K85-L140 PolarHBondContact NZ-O 3.34Å; K85-L140 VanDerWaalsContact NZ-O 3.1Å; D88-L140 HydrophobicContact CB-CD1 4.5Å; V90-L140 HydrophobicContact CG2-CD2 4.11Å; V90-L140 HydrophobicContact CG2-CG 4.23Å; V108-L140 HydrophobicContact CB-CD1 4.28Å; V108-L140 HydrophobicContact CG1-CD1 4.33Å; V108-L140 HydrophobicContact CG2-CD1 3.94Å; M136-L140 PolarHBondContact O-N 2.78Å; M136-L140 VanDerWaalsContact O-N 3.09Å; Q137-L140 PolarHBondContact O-N 3.1Å
141Q79.1Confident73.1Confident135 Ų13567.4 Ų67.463%0.63136%0.358SS*.Hα-helixtrans-81-35.1-176.7-67.7-178.1-18.600113.6Q137Q137-Q141 VanDerWaalsContact CG-CD 3.43Å; Q137-Q141 HydrophobicContact CG-CG 4.04Å; Q137-Q141 VanDerWaalsContact O-CB 3.29Å; Q137-Q141 WeakPolarHBondContact O-CB 3.37Å; Q137-Q141 VanDerWaalsContact O-CG 3.29Å; Q137-Q141 WeakPolarHBondContact O-CG 3.5Å; Q137-Q141 PolarHBondContact O-N 3.28Å
142Q66.2Low71.7Confident111 Ų11173.6 Ų73.652%0.51939%0.388SS..SBendtrans-84.3140.2-177.8-67.1178.8-16.600111.5K85 S138 M144K85-Q142 PolarHBondContact NZ-O 2.97Å; S138-Q142 VanDerWaalsContact O-CB 3.31Å; S138-Q142 WeakPolarHBondContact O-CB 3.35Å; S138-Q142 WeakPolarHBondContact O-CG 3.3Å; S138-Q142 PolarHBondContact O-N 3.03Å; Q142-M144 HydrophobicContact CB-CE 3.91Å; Q142-M144 HydrophobicContact CB-CG 4.44Å; Q142-M144 HydrophobicContact CB-SD 4.13Å; Q142-M144 PolarHBondContact O-N 3.11Å
143S57.4Low70.5Confident90 Ų9082.1 Ų82.163%0.62943%0.428SS*.  trans-79.891.3163.860.70000107.4Q145S143-Q145 PolarHBondContact O-N 3.17Å; S143-Q145 VanDerWaalsContact O-N 3.14Å
144M57.1Low69.7Low34 Ų3479.3 Ų79.317%0.16742%0.419CS..  trans-70.9110.8-178.4-67-65.1-171.400109.2V65 L139 Q142 P211V65-M144 HydrophobicContact CG1-CB 4.48Å; V65-M144 HydrophobicContact CG2-CB 3.6Å; V65-M144 HydrophobicContact CG2-CG 4.26Å; L139-M144 HydrophobicContact CD2-CE 4.24Å; Q142-M144 HydrophobicContact CB-CE 3.91Å; Q142-M144 HydrophobicContact CB-CG 4.44Å; Q142-M144 HydrophobicContact CB-SD 4.13Å; Q142-M144 PolarHBondContact O-N 3.11Å; M144-P211 HydrophobicContact CE-CB 3.91Å; M144-P211 HydrophobicContact CE-CG 4.27Å
145Q51.7Low69.4Low165 Ų16580.1 Ų80.177%0.77142%0.423SS*.  trans-79.1125.8167.4-78.1166.5-1.400108.7S143S143-Q145 PolarHBondContact O-N 3.17Å; S143-Q145 VanDerWaalsContact O-N 3.14Å
146T53.6Low69.3Low120 Ų12083.4 Ų83.474%0.73643%0.434SS*.SBendtrans23.9127.7157.3-39.80000119.5
147E56.6Low69.3Low122 Ų12286.7 Ų86.757%0.5745%0.449SS*.  trans39.285.1163.1-72.4-175.6175.900116.1R66 L149R66-E147 HydrophobicContact CB-CG 4Å; R66-E147 WeakPolarHBondContact O-CA 3.08Å; E147-L149 PolarHBondContact O-N 3.24Å
148V62.2Low69.5Low39 Ų3985.6 Ų85.624%0.23645%0.45CS..EExtended strand (participates in β ladder)trans-82.9114172.7-171.40000108.9R66 L150R66-V148 PolarHBondContact O-N 2.92Å; V148-L150 HydrophobicContact CB-CD1 4.43Å; V148-L150 HydrophobicContact CG1-CD1 3.88Å
149L60.2Low70.1Confident135 Ų13585.4 Ų85.471%0.70745%0.445SS*.EExtended strand (participates in β ladder)trans-88.1109.7164.9-66.3175.5000108.1E147E147-L149 PolarHBondContact O-N 3.24Å
150L64.8Low70.6Confident11 Ų1187.7 Ų87.76%0.05846%0.456CS..  trans-73.5126.8176.1-85.275000109.4I67 V69 V148 T154 C209 N213I67-L150 HydrophobicContact CG2-CD1 3.34Å; V69-L150 HydrophobicContact CG1-CB 4.19Å; V69-L150 HydrophobicContact CG1-CD2 4.31Å; V69-L150 HydrophobicContact CG2-CB 4.22Å; V69-L150 HydrophobicContact CG2-CD1 3.93Å; V69-L150 HydrophobicContact CG2-CD2 4.13Å; V69-L150 HydrophobicContact CG2-CG 4.33Å; V148-L150 HydrophobicContact CB-CD1 4.43Å; V148-L150 HydrophobicContact CG1-CD1 3.88Å; L150-T154 HydrophobicContact CB-CG2 3.77Å; L150-T154 HydrophobicContact CD2-CG2 3.72Å; L150-T154 HydrophobicContact CG-CG2 4.24Å; L150-C209 HydrophobicContact CD2-CB 4.13Å; L150-N213 WeakPolarHBondContact CG-OD1 3.5Å
151G57.2Low71.1Confident43 Ų4386.6 Ų86.644%0.44345%0.45SS..  trans-79.7-172.5-176.800000115.1E153 T154G151-E153 VanDerWaalsContact C-N 3.28Å; G151-E153 PolarHBondContact O-N 3.46Å; G151-T154 WeakPolarHBondContact O-CG2 3.46Å
152N59.1Low71.7Confident170 Ų17080.1 Ų80.191%0.90942%0.42SS*.SBendtrans-66.4-18.6-174.3-80.8-9.6000115.4T154N152-T154 VanDerWaalsContact C-N 3.32Å; N152-T154 PolarHBondContact O-N 3.04Å
153E69.1Low72.8Confident184 Ų18475 Ų7586%0.8640%0.396SS*.  trans-93.946.7178.9-64.9-174.3159.100112.1G151 Q155G151-E153 VanDerWaalsContact C-N 3.28Å; G151-E153 PolarHBondContact O-N 3.46Å; E153-Q155 PolarHBondContact O-N 2.83Å
154T75.7Confident74.3Confident28 Ų2873.2 Ų73.217%0.17238%0.378CS..  trans-78.8121.1174.238.90000110.9L150 G151 N152 R156 N213L150-T154 HydrophobicContact CB-CG2 3.77Å; L150-T154 HydrophobicContact CD2-CG2 3.72Å; L150-T154 HydrophobicContact CG-CG2 4.24Å; G151-T154 WeakPolarHBondContact O-CG2 3.46Å; N152-T154 VanDerWaalsContact C-N 3.32Å; N152-T154 PolarHBondContact O-N 3.04Å; T154-R156 PolarHBondContact O-N 2.81Å; T154-N213 CarbonylContact C-O 3.59Å; T154-N213 WeakPolarHBondContact CA-O 3.37Å; T154-N213 HydrophobicContact CG2-CB 4.45Å
155Q84.1Confident75.4Confident121 Ų12173.8 Ų73.857%0.56539%0.393SS*.EExtended strand (participates in β ladder)trans-75.7120.5173.1-176.4175.7-10.700109E153 N213 I214 C215E153-Q155 PolarHBondContact O-N 2.83Å; Q155-N213 PolarHBondContact N-O 3.1Å; Q155-I214 CarbonylContact O-C 3.52Å; Q155-I214 WeakPolarHBondContact O-CA 3.44Å; Q155-C215 PolarHBondContact O-N 3.44Å
156R84.5Confident76.6Confident88 Ų8870 Ų7033%0.33240%0.398SS..EExtended strand (participates in β ladder)trans-106.5132.1177.1-65.4-171.5-179.3-112.8-4.5110.9P70 T154 C215P70-R156 PolarHBondContact O-NH2 2.78Å; T154-R156 PolarHBondContact O-N 2.81Å; R156-C215 WeakPolarHBondContact CA-O 3.32Å; R156-C215 HydrophobicContact CG-CB 4.15Å
157Q88.3Confident77.8Confident68 Ų6865.3 Ų65.332%0.31837%0.37SS..EExtended strand (participates in β ladder)trans-132.2158.8172.164.8-174.519.600110.7C215 V216 S217Q157-C215 PolarHBondContact N-O 3.11Å; Q157-V216 HydrophobicContact CG-CB 4.32Å; Q157-V216 HydrophobicContact CG-CG1 4.27Å; Q157-V216 HydrophobicContact CG-CG2 3.69Å; Q157-V216 CarbonylContact O-C 3.54Å; Q157-V216 WeakPolarHBondContact O-CA 3.35Å; Q157-S217 PolarHBondContact O-N 3.01Å
158T89.7Confident79.2Confident78 Ų7865.9 Ų65.948%0.47937%0.372SS..EExtended strand (participates in β ladder)trans-118.8133179.1-57.40000108.7F160 S217T158-F160 HydrophobicContact CG2-CD2 4.48Å; T158-F160 HydrophobicContact CG2-CE1 3.94Å; T158-F160 HydrophobicContact CG2-CE2 3.93Å; T158-F160 HydrophobicContact CG2-CZ 3.63Å; T158-S217 WeakPolarHBondContact CA-O 3.34Å
159E91.8Very high80.5Confident26 Ų2664.8 Ų64.812%0.12137%0.366CS..EExtended strand (participates in β ladder)trans-118.1139174.2-71-176.6-166.700109.5R192 V216 S217 V218 C219E159-R192 IonicContact OE1-CZ 2.78Å; E159-R192 IonicContact OE1-NH2 3Å; E159-R192 IonicContact OE2-CZ 3.7Å; E159-R192 IonicContact OE2-NE 3.96Å; E159-R192 PolarHBondContact OE2-NE 3.46Å; E159-R192 IonicContact OE2-NH2 3.28Å; E159-R192 PolarHBondContact OE2-NH2 3.05Å; E159-V216 HydrophobicContact CB-CG1 4.19Å; E159-V216 HydrophobicContact CG-CG1 3.77Å; E159-S217 PolarHBondContact N-O 2.85Å; E159-V218 WeakPolarHBondContact O-CA 3.44Å; E159-C219 PolarHBondContact O-N 2.77Å
160F91.6Very high81.8Confident50 Ų5062.7 Ų62.722%0.21936%0.356CS..EExtended strand (participates in β ladder)trans-110.5124.1179.7-60.4-81000110.5T158 R192 Q193 P196 V202 C219 Y221T158-F160 HydrophobicContact CG2-CD2 4.48Å; T158-F160 HydrophobicContact CG2-CE1 3.94Å; T158-F160 HydrophobicContact CG2-CE2 3.93Å; T158-F160 HydrophobicContact CG2-CZ 3.63Å; F160-R192 CarbonylContact O-C 3.56Å; F160-R192 WeakPolarHBondContact O-CA 3.31Å; F160-Q193 PolarHBondContact O-N 3.47Å; F160-P196 VanDerWaalsContact CD1-CD 3.41Å; F160-P196 HydrophobicContact CD1-CG 4.35Å; F160-P196 HydrophobicContact CE1-CG 4.21Å; F160-V202 HydrophobicContact CE1-CG2 4.41Å; F160-C219 CarbonylContact C-O 3.55Å; F160-C219 WeakPolarHBondContact CA-O 3.31Å; F160-C219 HydrophobicContact CD1-CB 3.79Å; F160-C219 HydrophobicContact CE1-CB 4.06Å; F160-Y221 HydrophobicContact CB-CE1 3.93Å
161L92.7Very high82.8Confident0 Ų063.7 Ų63.70%036%0.362CS..EExtended strand (participates in β ladder)trans-111115.2177.6-66.4-171.7000110.6Y115 R191 R192 V218 C219 F220 Y221Y115-L161 HydrophobicContact CD2-CD1 4.32Å; Y115-L161 HydrophobicContact CE2-CD1 3.68Å; L161-R191 WeakPolarHBondContact CA-O 3.43Å; L161-R192 HydrophobicContact CD2-CB 4.24Å; L161-R192 HydrophobicContact CD2-CG 3.45Å; L161-R192 VanDerWaalsContact CD2-CG 3.45Å; L161-V218 HydrophobicContact CD1-CG1 3.44Å; L161-V218 VanDerWaalsContact CD1-CG1 3.44Å; L161-V218 HydrophobicContact CG-CG1 3.76Å; L161-C219 PolarHBondContact N-O 2.8Å; L161-F220 HydrophobicContact CB-CD1 3.9Å; L161-F220 HydrophobicContact CB-CE1 3.95Å; L161-F220 HydrophobicContact CB-CG 4.47Å; L161-F220 HydrophobicContact CD1-CD1 4.41Å; L161-F220 HydrophobicContact CD1-CE1 3.61Å; L161-F220 HydrophobicContact CD1-CZ 3.72Å; L161-F220 HydrophobicContact CG-CE1 4.38Å; L161-F220 WeakPolarHBondContact O-CA 3.4Å; L161-Y221 WeakPolarHBondContact O-CD1 3.34Å; L161-Y221 PolarHBondContact O-N 2.9Å
162G91.5Very high84.1Confident0 Ų065.5 Ų65.50%037%0.368CS..EExtended strand (participates in β ladder)trans-81.2120.1171.300000110.8T190 R191 Y221G162-T190 CarbonylContact O-C 3.6Å; G162-T190 VanDerWaalsContact O-CA 3.25Å; G162-T190 WeakPolarHBondContact O-CA 3.33Å; G162-R191 PolarHBondContact N-O 3.12Å; G162-R191 PolarHBondContact O-N 2.93Å; G162-Y221 CarbonylContact C-O 3.56Å; G162-Y221 VanDerWaalsContact CA-O 3.31Å; G162-Y221 WeakPolarHBondContact CA-O 3.48Å
163V90.9Very high85.5Confident3 Ų362 Ų622%0.01835%0.353CS..EExtended strand (participates in β ladder)trans-73.4121.7170.7-173.60000108.4Y124 H188 T190 F220 Y221 Y222 L223Y124-V163 HydrophobicContact CD1-CG1 4.21Å; Y124-V163 HydrophobicContact CD1-CG2 3.75Å; Y124-V163 HydrophobicContact CE1-CB 4.47Å; Y124-V163 HydrophobicContact CE1-CG1 4Å; Y124-V163 HydrophobicContact CE1-CG2 3.57Å; V163-H188 HydrophobicContact CG1-CB 3.71Å; V163-T190 HydrophobicContact CG2-CG2 4.19Å; V163-F220 HydrophobicContact CG2-CD1 4.45Å; V163-Y221 PolarHBondContact N-O 3.39Å; V163-Y222 HydrophobicContact CB-CD1 3.81Å; V163-Y222 HydrophobicContact CB-CE1 4.04Å; V163-Y222 HydrophobicContact CB-CG 4.5Å; V163-Y222 HydrophobicContact CG1-CD1 3.95Å; V163-Y222 HydrophobicContact CG1-CE1 3.8Å; V163-Y222 HydrophobicContact CG2-CD1 4.47Å; V163-Y222 HydrophobicContact CG2-CE1 4.43Å; V163-L223 PolarHBondContact O-N 3.03Å
164M88.3Confident86.4Confident53 Ų5354 Ų5426%0.26132%0.315SS..EExtended strand (participates in β ladder)trans-81.9127.1-176.3-69.8-179.263.700110.5S167 W189 R191 L223M164-S167 WeakPolarHBondContact CB-OG 3.33Å; M164-S167 PolarHBondContact O-OG 2.76Å; M164-W189 PolarHBondContact N-O 3.01Å; M164-W189 HydrophobicContact SD-CB 4.37Å; M164-R191 HydrophobicContact SD-CB 4.29Å; M164-L223 HydrophobicContact CG-CD1 4.03Å
165G80.4Confident87.1Confident46 Ų4658.3 Ų58.347%0.47433%0.334SS..EExtended strand (participates in β ladder)trans-66.5143173.100000111.4S167G165-S167 PolarHBondContact O-N 2.88Å; G165-S167 VanDerWaalsContact O-N 3.08Å
166G76.8Confident87.6Confident85 Ų8557.2 Ų57.288%0.87633%0.329SS*.EExtended strand (participates in β ladder)trans66.95.2177.400000116.1Q168G166-Q168 PolarHBondContact O-N 3.34Å
167S78.7Confident88Confident21 Ų2155.1 Ų55.115%0.14733%0.327CS..EExtended strand (participates in β ladder)trans-100.541.4-17766.80000113M164 G165 V169 W189M164-S167 WeakPolarHBondContact CB-OG 3.33Å; M164-S167 PolarHBondContact O-OG 2.76Å; G165-S167 PolarHBondContact O-N 2.88Å; G165-S167 VanDerWaalsContact O-N 3.08Å; S167-V169 PolarHBondContact O-N 3.21Å; S167-W189 PolarHBondContact O-N 3.43Å
168Q85.3Confident88.2Confident134 Ų13452 Ų5263%0.62631%0.312SS*.EExtended strand (participates in β ladder)trans-65.4132.7178.4-168174.512.200109.6G166 I187G166-Q168 PolarHBondContact O-N 3.34Å; Q168-I187 CarbonylContact C-O 3.49Å; Q168-I187 VanDerWaalsContact CA-O 3.29Å; Q168-I187 WeakPolarHBondContact CA-O 3.41Å
169V90Very high88.4Confident16 Ų1650.9 Ų50.910%0.09730%0.302CS..EExtended strand (participates in β ladder)trans-96.1134.1176.9-171.60000108.8L125 S167 V171 L174 I187 W189L125-V169 HydrophobicContact CD2-CG2 4.48Å; S167-V169 PolarHBondContact O-N 3.21Å; V169-V171 PolarHBondContact O-N 2.87Å; V169-L174 HydrophobicContact CG1-CD2 4.29Å; V169-I187 HydrophobicContact CB-CB 3.95Å; V169-I187 HydrophobicContact CB-CG2 3.83Å; V169-I187 HydrophobicContact CG2-CG2 4Å; V169-I187 PolarHBondContact N-O 3.44Å; V169-W189 HydrophobicContact CG2-CD2 4.26Å; V169-W189 HydrophobicContact CG2-CG 4.03Å; V169-W189 HydrophobicContact CG2-CZ2 4.46Å
170D87.1Confident88.4Confident92 Ų9252 Ų5249%0.49232%0.315SS..PPolyproline II helixtrans-71.6117.8169.7179.78000109.7S172 T173D170-S172 PolarHBondContact O-N 3.04Å; D170-S172 VanDerWaalsContact O-N 3.13Å; D170-S172 WeakPolarHBondContact OD1-CB 3.25Å; D170-S172 PolarHBondContact OD1-N 3.13Å; D170-S172 PolarHBondContact OD1-OG 2.89Å; D170-S172 PolarHBondContact OD2-OG 3.14Å; D170-T173 HydrophobicContact CB-CG2 3.96Å; D170-T173 WeakPolarHBondContact O-CB 3.04Å; D170-T173 PolarHBondContact O-N 2.95Å; D170-T173 PolarHBondContact O-OG1 2.87Å
171V85.2Confident88.5Confident32 Ų3251.7 Ų51.719%0.19432%0.315CS..G310 helixtrans-54.2-31.6178.1-175.20000111.4V169 T173 L174 Q179 I187V169-V171 PolarHBondContact O-N 2.87Å; V171-T173 PolarHBondContact O-N 3.44Å; V171-L174 PolarHBondContact O-N 3.14Å; V171-Q179 HydrophobicContact CG1-CG 4.15Å; V171-Q179 PolarHBondContact O-NE2 2.84Å; V171-I187 HydrophobicContact CB-CD1 3.95Å; V171-I187 HydrophobicContact CG1-CD1 4.28Å; V171-I187 HydrophobicContact CG2-CD1 3.42Å; V171-I187 VanDerWaalsContact CG2-CD1 3.42Å; V171-I187 HydrophobicContact CG2-CG1 4.19Å
172S85Confident88.5Confident80 Ų8051.7 Ų51.756%0.55932%0.315SS*.G310 helixtrans-65.7-23.1-179.186.30000113.2D170 Q179D170-S172 PolarHBondContact O-N 3.04Å; D170-S172 VanDerWaalsContact O-N 3.13Å; D170-S172 WeakPolarHBondContact OD1-CB 3.25Å; D170-S172 PolarHBondContact OD1-N 3.13Å; D170-S172 PolarHBondContact OD1-OG 2.89Å; D170-S172 PolarHBondContact OD2-OG 3.14Å; S172-Q179 PolarHBondContact O-NE2 3.47Å
173T88.8Confident88.4Confident97 Ų9758.7 Ų58.760%0.59534%0.342SS*.G310 helixtrans-86.4-11.6-179.468.60000113.4D170 V171D170-T173 HydrophobicContact CB-CG2 3.96Å; D170-T173 WeakPolarHBondContact O-CB 3.04Å; D170-T173 PolarHBondContact O-N 2.95Å; D170-T173 PolarHBondContact O-OG1 2.87Å; V171-T173 PolarHBondContact O-N 3.44Å
174L89Confident88.2Confident15 Ų1566.8 Ų66.88%0.07938%0.379CS..SBendtrans-79.9140.4174.8-64.4-176.5000110.7L125 V169 V171 L178 Q179 I187L125-L174 HydrophobicContact CD2-CD2 3.95Å; V169-L174 HydrophobicContact CG1-CD2 4.29Å; V171-L174 PolarHBondContact O-N 3.14Å; L174-L178 HydrophobicContact CB-CB 4.27Å; L174-L178 HydrophobicContact CD1-CB 4.19Å; L174-Q179 HydrophobicContact CB-CB 4.2Å; L174-Q179 WeakPolarHBondContact O-CB 3.29Å; L174-Q179 PolarHBondContact O-NE2 2.95Å; L174-I187 HydrophobicContact CD1-CD1 3.42Å; L174-I187 VanDerWaalsContact CD1-CD1 3.42Å; L174-I187 HydrophobicContact CG-CD1 4.36Å
175E90.7Very high88.3Confident120 Ų12065 Ų6556%0.56137%0.372SS*.PPolyproline II helixtrans-78.8162.3169.9-62.1-171.1-173.200110.9H110 L178 Q179H110-E175 IonicContact CE1-OE2 3.79Å; H110-E175 PolarHBondContact CE1-OE2 2.84Å; H110-E175 VanDerWaalsContact CE1-OE2 3.31Å; H110-E175 IonicContact NE2-OE2 3.91Å; H110-E175 PolarHBondContact NE2-OE2 3.34Å; E175-L178 WeakPolarHBondContact O-CB 3.31Å; E175-L178 PolarHBondContact O-N 2.99Å; E175-L178 VanDerWaalsContact O-N 3.13Å; E175-Q179 PolarHBondContact O-N 2.93Å; E175-Q179 VanDerWaalsContact O-N 3.08Å
176E92.8Very high88.8Confident98 Ų9864.3 Ų64.346%0.45836%0.36SS..THydrogen-bonded Turntrans-68.6143170.2-69.4-69.1-172.700110.3A180 R183E176-A180 WeakPolarHBondContact OE2-CB 3.29Å; E176-A180 PolarHBondContact OE2-N 3.49Å; E176-A180 VanDerWaalsContact OE2-N 3.1Å; E176-R183 IonicContact OE1-NH2 2.69Å
177P93.4Very high89.6Confident44 Ų4460.2 Ų60.229%0.28632%0.318SS..THydrogen-bonded Turncis-953.66.926-15000115.1L89 L105 Q179 A180 L181L89-P177 HydrophobicContact CD1-CG 3.46Å; L89-P177 VanDerWaalsContact CD1-CG 3.46Å; L89-P177 HydrophobicContact CD2-CG 4.39Å; L105-P177 HydrophobicContact CD1-CG 4.31Å; L105-P177 HydrophobicContact CD2-CB 4.32Å; L105-P177 HydrophobicContact CD2-CG 3.87Å; P177-Q179 VanDerWaalsContact C-N 3.28Å; P177-Q179 PolarHBondContact O-N 3.28Å; P177-A180 PolarHBondContact O-N 2.8Å; P177-L181 PolarHBondContact O-N 3.27Å
178L93.3Very high90.3Very high3 Ų360.9 Ų60.92%0.01632%0.319CS..Hα-helixtrans-60.7-40.6179.8-72.3153.2000111.2L105 D107 L112 C114 L125 L174 E175 L181 C182L105-L178 HydrophobicContact CD2-CD2 3.84Å; L105-L178 HydrophobicContact CD2-CG 3.83Å; L105-L178 HydrophobicContact CG-CD2 4.43Å; D107-L178 HydrophobicContact CB-CD1 3.99Å; L112-L178 HydrophobicContact CB-CD1 4.31Å; L112-L178 HydrophobicContact CD1-CD1 3.98Å; C114-L178 HydrophobicContact CB-CD2 3.17Å; L125-L178 HydrophobicContact CD1-CD2 4.13Å; L174-L178 HydrophobicContact CB-CB 4.27Å; L174-L178 HydrophobicContact CD1-CB 4.19Å; E175-L178 WeakPolarHBondContact O-CB 3.31Å; E175-L178 PolarHBondContact O-N 2.99Å; E175-L178 VanDerWaalsContact O-N 3.13Å; L178-L181 PolarHBondContact O-N 3.4Å; L178-C182 PolarHBondContact O-N 2.87Å
179Q93.3Very high90.7Very high54 Ų5458.1 Ų58.125%0.25230%0.302SS..Hα-helixtrans-59.8-50175.6-178.8169.978.300112.5V171 S172 L174 E175 P177 L181 C182 R183V171-Q179 HydrophobicContact CG1-CG 4.15Å; V171-Q179 PolarHBondContact O-NE2 2.84Å; S172-Q179 PolarHBondContact O-NE2 3.47Å; L174-Q179 HydrophobicContact CB-CB 4.2Å; L174-Q179 WeakPolarHBondContact O-CB 3.29Å; L174-Q179 PolarHBondContact O-NE2 2.95Å; E175-Q179 PolarHBondContact O-N 2.93Å; E175-Q179 VanDerWaalsContact O-N 3.08Å; P177-Q179 VanDerWaalsContact C-N 3.28Å; P177-Q179 PolarHBondContact O-N 3.28Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3Å; Q179-C182 CarbonylContact O-C 3.5Å; Q179-C182 PolarHBondContact O-N 3.3Å; Q179-R183 WeakPolarHBondContact O-CA 3.48Å; Q179-R183 PolarHBondContact O-N 3.41Å
180A92.8Very high90.9Very high48 Ų4857.9 Ų57.940%0.39730%0.301SS..Hα-helixtrans-61.7-40.6177.400000112.6E176 P177 C182E176-A180 WeakPolarHBondContact OE2-CB 3.29Å; E176-A180 PolarHBondContact OE2-N 3.49Å; E176-A180 VanDerWaalsContact OE2-N 3.1Å; P177-A180 PolarHBondContact O-N 2.8Å; A180-C182 PolarHBondContact O-N 2.87Å
181L92.8Very high91.1Very high45 Ų4560 Ų6024%0.23630%0.302CS..Hα-helixtrans-60-33.1179.4-177.759.9000112.5T103 L105 C114 K116 P177 L178 Q179T103-L181 HydrophobicContact CG2-CD1 3.76Å; T103-L181 HydrophobicContact CG2-CD2 4.28Å; L105-L181 HydrophobicContact CB-CD2 3.7Å; L105-L181 HydrophobicContact CD2-CD2 4.1Å; C114-L181 HydrophobicContact CB-CD2 4.3Å; K116-L181 HydrophobicContact CB-CD1 3.99Å; K116-L181 HydrophobicContact CB-CD2 4.3Å; K116-L181 HydrophobicContact CB-CG 4.06Å; K116-L181 HydrophobicContact CG-CD1 4.14Å; K116-L181 HydrophobicContact CG-CG 4.47Å; P177-L181 PolarHBondContact O-N 3.27Å; L178-L181 PolarHBondContact O-N 3.4Å; Q179-L181 VanDerWaalsContact C-N 3.33Å; Q179-L181 PolarHBondContact O-N 3Å
182C92.2Very high91.4Very high0 Ų060.2 Ų60.20%030%0.299CS..Hα-helixtrans-11412.9-173.8-65.30000115C114 C123 L178 Q179 A180 H184 S185 I187C114-C182 PolarHBondContact SG-SG 3.32Å; C123-C182 HydrophobicContact CB-CB 3.91Å; C123-C182 WeakPolarHBondContact CB-SG 3.35Å; C123-C182 VanDerWaalsContact SG-CA 3.55Å; C123-C182 WeakPolarHBondContact SG-CB 3.34Å; C123-C182 CovalentContact SG-SG 2.04Å; C123-C182 PolarHBondContact SG-SG 3.12Å; L178-C182 PolarHBondContact O-N 2.87Å; Q179-C182 CarbonylContact O-C 3.5Å; Q179-C182 PolarHBondContact O-N 3.3Å; A180-C182 PolarHBondContact O-N 2.87Å; C182-H184 PolarHBondContact O-N 3.08Å; C182-S185 PolarHBondContact O-N 3.21Å; C182-I187 HydrophobicContact CB-CD1 3.99Å; C182-I187 HydrophobicContact CB-CG1 3.86Å
183R89.3Confident91.5Very high147 Ų14760.2 Ų60.256%0.55529%0.29SS*.THydrogen-bonded Turntrans-50.2-30-172-173.5176.6-69.7-178.7-0.6115.4E176 Q179E176-R183 IonicContact OE1-NH2 2.69Å; Q179-R183 WeakPolarHBondContact O-CA 3.48Å; Q179-R183 PolarHBondContact O-N 3.41Å
184H87.8Confident91.1Very high172 Ų17264 Ų6480%0.79631%0.307SS*.THydrogen-bonded Turntrans-119.533-178.7-50.6109.3000112C182C182-H184 PolarHBondContact O-N 3.08Å
185S90.3Very high90.4Very high17 Ų1764.3 Ų64.312%0.11931%0.313CS..SBendtrans-138.3144.5-175.8-61.10000111.4K116 E121 C182K116-S185 PolarHBondContact NZ-OG 3.14Å; E121-S185 CarbonylContact O-C 3.57Å; E121-S185 WeakPolarHBondContact O-CA 3.33Å; E121-S185 WeakPolarHBondContact O-CB 3.49Å; C182-S185 PolarHBondContact O-N 3.21Å
186S91.4Very high89.3Confident30 Ų3060.6 Ų60.621%0.2130%0.3CS..EExtended strand (participates in β ladder)trans-70.3137.7166.779.70000108.8E121 N122 C123 H188E121-S186 PolarHBondContact O-N 2.97Å; N122-S186 CarbonylContact C-O 3.55Å; N122-S186 VanDerWaalsContact CA-O 3.24Å; N122-S186 WeakPolarHBondContact CA-O 3.31Å; N122-S186 PolarHBondContact OD1-OG 3.42Å; C123-S186 PolarHBondContact N-O 2.83Å; S186-H188 PolarHBondContact OG-NE2 2.93Å
187I93.3Very high88Confident0 Ų058 Ų580%030%0.3CS..EExtended strand (participates in β ladder)trans-110.6130.6-178.2-58.1153.2000108.2C123 L125 Q168 V169 V171 L174 C182C123-I187 HydrophobicContact CB-CB 4.41Å; C123-I187 HydrophobicContact CB-CG1 3.88Å; C123-I187 HydrophobicContact CB-CG2 4.43Å; C123-I187 WeakPolarHBondContact O-CA 3.43Å; L125-I187 HydrophobicContact CB-CG2 3.96Å; Q168-I187 CarbonylContact C-O 3.49Å; Q168-I187 VanDerWaalsContact CA-O 3.29Å; Q168-I187 WeakPolarHBondContact CA-O 3.41Å; V169-I187 HydrophobicContact CB-CB 3.95Å; V169-I187 HydrophobicContact CB-CG2 3.83Å; V169-I187 HydrophobicContact CG2-CG2 4Å; V169-I187 PolarHBondContact N-O 3.44Å; V171-I187 HydrophobicContact CB-CD1 3.95Å; V171-I187 HydrophobicContact CG1-CD1 4.28Å; V171-I187 HydrophobicContact CG2-CD1 3.42Å; V171-I187 VanDerWaalsContact CG2-CD1 3.42Å; V171-I187 HydrophobicContact CG2-CG1 4.19Å; L174-I187 HydrophobicContact CD1-CD1 3.42Å; L174-I187 VanDerWaalsContact CD1-CD1 3.42Å; L174-I187 HydrophobicContact CG-CD1 4.36Å; C182-I187 HydrophobicContact CB-CD1 3.99Å; C182-I187 HydrophobicContact CB-CG1 3.86Å
188H93.1Very high86.2Confident35 Ų3566.6 Ų66.616%0.16233%0.333CS..EExtended strand (participates in β ladder)trans-120.5135.2178.2-60.4-88.7000110.2C123 Y124 L125 V163 S186C123-H188 PolarHBondContact O-N 3.43Å; Y124-H188 WeakPolarHBondContact CA-O 3.22Å; Y124-H188 HydrophobicContact CD1-CB 4.29Å; L125-H188 PolarHBondContact N-O 2.92Å; V163-H188 HydrophobicContact CG1-CB 3.71Å; S186-H188 PolarHBondContact OG-NE2 2.93Å
189W94.1Very high84.3Confident76 Ų7675.6 Ų75.629%0.28837%0.374SS..EExtended strand (participates in β ladder)trans-65.2145.1167.3-76.9107.8000111.2L112 L125 K127 M164 S167 V169L112-W189 HydrophobicContact CD2-CH2 3.69Å; L112-W189 HydrophobicContact CD2-CZ3 3.97Å; L125-W189 HydrophobicContact CB-CD2 4.46Å; L125-W189 HydrophobicContact CB-CE3 4.01Å; L125-W189 HydrophobicContact CB-CZ3 4.11Å; L125-W189 HydrophobicContact CD2-CD2 4.35Å; L125-W189 HydrophobicContact CD2-CE3 4.13Å; L125-W189 HydrophobicContact CD2-CH2 3.35Å; L125-W189 HydrophobicContact CD2-CZ2 3.6Å; L125-W189 HydrophobicContact CD2-CZ3 3.65Å; L125-W189 HydrophobicContact CG-CE3 4.02Å; L125-W189 HydrophobicContact CG-CH2 3.84Å; L125-W189 HydrophobicContact CG-CZ2 4.45Å; L125-W189 HydrophobicContact CG-CZ3 3.59Å; L125-W189 CarbonylContact O-C 3.59Å; L125-W189 WeakPolarHBondContact O-CA 3.44Å; K127-W189 HydrophobicContact CG-CZ3 4.1Å; M164-W189 PolarHBondContact N-O 3.01Å; M164-W189 HydrophobicContact SD-CB 4.37Å; S167-W189 PolarHBondContact O-N 3.43Å; V169-W189 HydrophobicContact CG2-CD2 4.26Å; V169-W189 HydrophobicContact CG2-CG 4.03Å; V169-W189 HydrophobicContact CG2-CZ2 4.46Å
190T93.6Very high82.8Confident10 Ų1077.6 Ų77.66%0.06138%0.38CS..EExtended strand (participates in β ladder)trans-124.7157.4174.357.60000110.9Y124 L125 S126 G162 V163 F220Y124-T190 HydrophobicContact CD1-CG2 3.95Å; Y124-T190 HydrophobicContact CG-CG2 4.25Å; L125-T190 PolarHBondContact O-N 2.98Å; L125-T190 PolarHBondContact O-OG1 3.44Å; S126-T190 WeakPolarHBondContact CB-OG1 3.47Å; G162-T190 CarbonylContact O-C 3.6Å; G162-T190 VanDerWaalsContact O-CA 3.25Å; G162-T190 WeakPolarHBondContact O-CA 3.33Å; V163-T190 HydrophobicContact CG2-CG2 4.19Å; T190-F220 HydrophobicContact CG2-CD1 4.2Å; T190-F220 HydrophobicContact CG2-CE1 4.11Å
191R91.1Very high82Confident137 Ų13783 Ų8352%0.51740%0.401SS..EExtended strand (participates in β ladder)trans-136.7134.8178.1-174.4-176.1-67.7177.8-1.7110.3L161 G162 M164L161-R191 WeakPolarHBondContact CA-O 3.43Å; G162-R191 PolarHBondContact N-O 3.12Å; G162-R191 PolarHBondContact O-N 2.93Å; M164-R191 HydrophobicContact SD-CB 4.29Å
192R91.2Very high81.5Confident37 Ų3783.8 Ų83.814%0.1441%0.407CS..EExtended strand (participates in β ladder)trans-60.7141.4169.9-80.5-177.1171.2142.611.8112E129 D132 E159 F160 L161E129-R192 VanDerWaalsContact CB-NH1 3.27Å; E129-R192 VanDerWaalsContact CG-NH1 3.31Å; E129-R192 VanDerWaalsContact OE2-CD 3.28Å; E129-R192 WeakPolarHBondContact OE2-CD 3.31Å; E129-R192 IonicContact OE2-CZ 3.31Å; E129-R192 IonicContact OE2-NE 2.74Å; E129-R192 IonicContact OE2-NH1 3.48Å; E129-R192 PolarHBondContact OE2-NH1 3.15Å; D132-R192 IonicContact OD1-CZ 3.86Å; D132-R192 IonicContact OD1-NH1 3.19Å; D132-R192 IonicContact OD1-NH2 2.82Å; D132-R192 PolarHBondContact OD1-NH2 3.23Å; D132-R192 IonicContact OD2-CZ 3.1Å; D132-R192 VanDerWaalsContact OD2-CZ 3.28Å; D132-R192 IonicContact OD2-NH1 3.58Å; D132-R192 PolarHBondContact OD2-NH1 2.81Å; D132-R192 IonicContact OD2-NH2 3.6Å; D132-R192 PolarHBondContact OD2-NH2 2.8Å; E159-R192 IonicContact OE1-CZ 2.78Å; E159-R192 IonicContact OE1-NH2 3Å; E159-R192 IonicContact OE2-CZ 3.7Å; E159-R192 IonicContact OE2-NE 3.96Å; E159-R192 PolarHBondContact OE2-NE 3.46Å; E159-R192 IonicContact OE2-NH2 3.28Å; E159-R192 PolarHBondContact OE2-NH2 3.05Å; F160-R192 CarbonylContact O-C 3.56Å; F160-R192 WeakPolarHBondContact O-CA 3.31Å; L161-R192 HydrophobicContact CD2-CB 4.24Å; L161-R192 HydrophobicContact CD2-CG 3.45Å; L161-R192 VanDerWaalsContact CD2-CG 3.45Å
193Q86.7Confident81Confident79 Ų7989.8 Ų89.837%0.36943%0.431SS..EExtended strand (participates in β ladder)trans-144.4153.1-178.9-66.7-70.6-63.500109.2F160 G195 Y221F160-Q193 PolarHBondContact O-N 3.47Å; Q193-G195 PolarHBondContact O-N 3.32Å; Q193-G195 VanDerWaalsContact O-N 3.07Å; Q193-Y221 HydrophobicContact CB-CE1 4.34Å; Q193-Y221 WeakPolarHBondContact CB-OH 3.43Å; Q193-Y221 WeakPolarHBondContact CG-OH 3.44Å
194D81.8Confident80.8Confident178 Ų17884.1 Ų84.195%0.95241%0.411SS*.SBendtrans-65.5-12.8179.2-61.4-37.8000113
195G74.1Confident80.9Confident20 Ų2078.3 Ų78.321%0.20639%0.389CS..  trans151.1169.4173.700000112.7Q193 G197 Y221Q193-G195 PolarHBondContact O-N 3.32Å; Q193-G195 VanDerWaalsContact O-N 3.07Å; G195-G197 PolarHBondContact O-N 3.13Å; G195-G197 VanDerWaalsContact O-N 3.13Å; G195-Y221 PolarHBondContact O-OH 3.09Å
196P66.6Low80.8Confident42 Ų4277.6 Ų77.627%0.27338%0.384SS..  trans-60.5119.8167.826.3-32.4000108F160 R200 V202F160-P196 VanDerWaalsContact CD1-CD 3.41Å; F160-P196 HydrophobicContact CD1-CG 4.35Å; F160-P196 HydrophobicContact CE1-CG 4.21Å; P196-R200 HydrophobicContact CB-CB 3.95Å; P196-V202 HydrophobicContact CG-CG2 4.13Å
197G65Low80.6Confident45 Ų4578.3 Ų78.346%0.46439%0.385SS..  trans-55.1171.3168.400000111.2G195 Q199 R200G195-G197 PolarHBondContact O-N 3.13Å; G195-G197 VanDerWaalsContact O-N 3.13Å; G197-Q199 PolarHBondContact O-N 3.44Å; G197-R200 PolarHBondContact O-N 3.46Å
198K57.3Low80.4Confident224 Ų22478.4 Ų78.497%0.97439%0.385SS*.THydrogen-bonded Turntrans-50.4-3.1-165.2-79.8-173.6175.4-179.50118.8
199Q52.5Low80.1Confident191 Ų19177 Ų7789%0.89338%0.379SS*.THydrogen-bonded Turntrans-150.638-179.6-65-179.9-28.800114.4G197G197-Q199 PolarHBondContact O-N 3.44Å
200R63Low79.6Confident97 Ų9773.6 Ų73.637%0.36637%0.367SS..  trans-115.6129.6174.9-63-173.6-169.1166.56.6112.1P196 G197 Y221 P224P196-R200 HydrophobicContact CB-CB 3.95Å; G197-R200 PolarHBondContact O-N 3.46Å; R200-Y221 HydrophobicContact CB-CD2 4.13Å; R200-P224 VanDerWaalsContact NH1-CD 3.34Å
201L74.8Confident78.8Confident162 Ų16274.1 Ų74.185%0.84837%0.37SS*.  trans-78.9122.7178.8-66.4166.9000109.4Y203L201-Y203 PolarHBondContact O-N 2.91Å
202V81.8Confident78Confident60 Ų6070.2 Ų70.236%0.36436%0.364SS..  trans-65.1128.5164.4175.50000107.7F160 P196 C219F160-V202 HydrophobicContact CE1-CG2 4.41Å; P196-V202 HydrophobicContact CG-CG2 4.13Å; V202-C219 HydrophobicContact CG1-CB 3.82Å
203Y81.6Confident77.4Confident126 Ų12671.8 Ų71.849%0.49438%0.375SS..  trans-86.9-46-176.6178.3-128.9000112.1Q120 L201 F220 Y222Q120-Y203 VanDerWaalsContact NE2-CZ 3.28Å; Q120-Y203 PolarHBondContact NE2-OH 3.34Å; L201-Y203 PolarHBondContact O-N 2.91Å; Y203-F220 PolarHBondContact N-O 3.09Å; Y203-Y222 HydrophobicContact CD1-CE2 4.42Å
204F87.1Confident77.2Confident29 Ų2969.8 Ų69.813%0.12737%0.366CS..EExtended strand (participates in β ladder)trans-157.4165.6170.566.1-86.2000110.4P117 Y124 I206 C219 F220P117-F204 HydrophobicContact CB-CE2 4.2Å; P117-F204 HydrophobicContact CB-CZ 4.32Å; P117-F204 HydrophobicContact CG-CD2 4.47Å; P117-F204 HydrophobicContact CG-CE1 4.2Å; P117-F204 HydrophobicContact CG-CE2 3.57Å; P117-F204 HydrophobicContact CG-CZ 3.43Å; P117-F204 VanDerWaalsContact CG-CZ 3.43Å; Y124-F204 AromaticContact CD2-CZ 3.89Å; Y124-F204 HydrophobicContact CD2-CZ 3.89Å; Y124-F204 AromaticContact CE2-CE1 3.75Å; Y124-F204 HydrophobicContact CE2-CE1 3.75Å; Y124-F204 AromaticContact CE2-CZ 3.5Å; Y124-F204 HydrophobicContact CE2-CZ 3.5Å; Y124-F204 VanDerWaalsContact CE2-CZ 3.5Å; F204-I206 HydrophobicContact CD2-CD1 4.45Å; F204-I206 HydrophobicContact CD2-CG1 4Å; F204-I206 HydrophobicContact CE2-CD1 3.86Å; F204-I206 HydrophobicContact CE2-CG1 3.89Å; F204-C219 WeakPolarHBondContact O-CA 3.37Å; F204-F220 HydrophobicContact CD1-CB 4.33Å; F204-F220 AromaticContact CD2-CD2 3.86Å; F204-F220 HydrophobicContact CD2-CD2 3.86Å; F204-F220 HydrophobicContact CD2-CE2 4.42Å; F204-F220 HydrophobicContact CE1-CB 3.84Å; F204-F220 HydrophobicContact CE1-CD2 4.19Å; F204-F220 HydrophobicContact CE1-CG 4.04Å; F204-F220 HydrophobicContact CE2-CB 4.35Å; F204-F220 AromaticContact CE2-CD2 3.17Å; F204-F220 HydrophobicContact CE2-CD2 3.17Å; F204-F220 AromaticContact CE2-CE2 3.53Å; F204-F220 HydrophobicContact CE2-CE2 3.53Å; F204-F220 AromaticContact CE2-CG 3.85Å; F204-F220 HydrophobicContact CE2-CG 3.85Å; F204-F220 HydrophobicContact CE2-CZ 4.42Å; F204-F220 HydrophobicContact CZ-CB 3.83Å; F204-F220 HydrophobicContact CZ-CD1 4.13Å; F204-F220 AromaticContact CZ-CD2 3.36Å; F204-F220 HydrophobicContact CZ-CD2 3.36Å; F204-F220 AromaticContact CZ-CE2 3.9Å; F204-F220 HydrophobicContact CZ-CE2 3.9Å; F204-F220 AromaticContact CZ-CG 3.49Å; F204-F220 HydrophobicContact CZ-CG 3.49Å; F204-F220 VanDerWaalsContact CZ-CG 3.49Å; F204-F220 HydrophobicContact CZ-CZ 4.47Å; F204-F220 PolarHBondContact O-N 3.09Å
205C88.6Confident77.5Confident50 Ų5061.5 Ų61.534%0.33832%0.322SS..EExtended strand (participates in β ladder)trans-128.1151169.9-51.40000110.8V218 C219C205-V218 CarbonylContact C-O 3.58Å; C205-V218 WeakPolarHBondContact CA-O 3.24Å; C205-C219 HydrophobicContact CB-CB 4.11Å; C205-C219 WeakPolarHBondContact CB-SG 3.34Å; C205-C219 VanDerWaalsContact SG-CA 3.59Å; C205-C219 WeakPolarHBondContact SG-CB 3.44Å; C205-C219 CovalentContact SG-SG 2.05Å; C205-C219 PolarHBondContact SG-SG 2.78Å
206I88.9Confident78.2Confident2 Ų260.8 Ų60.81%0.0131%0.314CS..EExtended strand (participates in β ladder)trans-119.5123.3172.4-57.2173.4000107.7Y102 V104 Y115 P117 F204 I208 V218 F220Y102-I206 HydrophobicContact CD1-CD1 4.26Å; Y102-I206 HydrophobicContact CD1-CG1 4.04Å; Y102-I206 HydrophobicContact CG-CD1 4.46Å; Y102-I206 HydrophobicContact CG-CG1 4.22Å; Y102-I206 HydrophobicContact CG-CG2 4.41Å; V104-I206 HydrophobicContact CG2-CG2 4.23Å; Y115-I206 HydrophobicContact CD1-CD1 4.39Å; P117-I206 HydrophobicContact CG-CD1 4.45Å; F204-I206 HydrophobicContact CD2-CD1 4.45Å; F204-I206 HydrophobicContact CD2-CG1 4Å; F204-I206 HydrophobicContact CE2-CD1 3.86Å; F204-I206 HydrophobicContact CE2-CG1 3.89Å; I206-I208 HydrophobicContact CG2-CG1 4.02Å; I206-V218 PolarHBondContact N-O 3.47Å; I206-V218 PolarHBondContact O-N 3.34Å; I206-F220 HydrophobicContact CD1-CE2 4.24Å
207D87.3Confident79.3Confident44 Ų4459.8 Ų59.824%0.23531%0.308CS..EExtended strand (participates in β ladder)trans-90120.2175.1-63.5-31000109.9V94 S217V94-D207 WeakPolarHBondContact CG1-O 3.43Å; D207-S217 WeakPolarHBondContact OD1-CA 3.45Å; D207-S217 WeakPolarHBondContact OD1-CB 3.32Å; D207-S217 PolarHBondContact OD1-OG 2.9Å
208I88.2Confident80.6Confident2 Ų257.8 Ų57.81%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-120.3122.8179.1-50.4169.2000108.2Y92 V104 Y115 I206 F210 C215 V216 V218Y92-I208 HydrophobicContact CD1-CG2 4.33Å; Y92-I208 HydrophobicContact CD2-CG2 4.15Å; Y92-I208 HydrophobicContact CE2-CG2 4.41Å; Y92-I208 HydrophobicContact CG-CG2 4.07Å; V104-I208 HydrophobicContact CB-CD1 4.15Å; V104-I208 HydrophobicContact CG1-CD1 3.96Å; V104-I208 HydrophobicContact CG2-CD1 3.78Å; V104-I208 HydrophobicContact CG2-CG1 4.28Å; Y115-I208 HydrophobicContact CE1-CD1 4.16Å; I206-I208 HydrophobicContact CG2-CG1 4.02Å; I208-F210 HydrophobicContact CG2-CE1 4.07Å; I208-F210 HydrophobicContact CG2-CE2 4.4Å; I208-F210 HydrophobicContact CG2-CZ 3.91Å; I208-C215 CarbonylContact O-C 3.57Å; I208-C215 VanDerWaalsContact O-CA 3.31Å; I208-C215 WeakPolarHBondContact O-CA 3.36Å; I208-V216 PolarHBondContact N-O 3.18Å; I208-V216 PolarHBondContact O-N 2.68Å; I208-V218 HydrophobicContact CD1-CG2 4.19Å
209C86.2Confident82.2Confident6 Ų647.5 Ų47.54%0.04124%0.243CC..EExtended strand (participates in β ladder)trans-109.7124177.2-65.30000112.3V69 Q79 L150 I214 C215V69-C209 HydrophobicContact CB-CB 4.34Å; V69-C209 HydrophobicContact CG1-CB 4.28Å; V69-C209 HydrophobicContact CG2-CB 3.75Å; Q79-C209 PolarHBondContact NE2-O 2.61Å; L150-C209 HydrophobicContact CD2-CB 4.13Å; C209-I214 CarbonylContact C-O 3.5Å; C209-I214 WeakPolarHBondContact CA-O 3.28Å; C209-C215 HydrophobicContact CB-CB 4.14Å; C209-C215 WeakPolarHBondContact CB-SG 3.31Å; C209-C215 WeakPolarHBondContact SG-CB 3.38Å; C209-C215 CovalentContact SG-SG 2.05Å; C209-C215 PolarHBondContact SG-SG 3.09Å
210F83.8Confident84.1Confident5 Ų538.4 Ų38.42%0.02220%0.201CC..EExtended strand (participates in β ladder)trans-89149177.9-56.2-77.6000110.3Y92 F106 N135 M136 I208 S212 N213 I214 V216Y92-F210 HydrophobicContact CE2-CD1 4.13Å; Y92-F210 AromaticContact CE2-CE1 3.88Å; Y92-F210 HydrophobicContact CE2-CE1 3.88Å; Y92-F210 AromaticContact CZ-CD1 3.92Å; Y92-F210 VanDerWaalsContact OH-CD1 3.31Å; Y92-F210 WeakPolarHBondContact OH-CD1 3.42Å; F106-F210 HydrophobicContact CZ-CE1 4.32Å; F106-F210 HydrophobicContact CZ-CZ 4.31Å; N135-F210 HydrophobicContact CB-CD1 4.23Å; N135-F210 HydrophobicContact CB-CE1 4.28Å; N135-F210 HydrophobicContact CB-CG 4.45Å; N135-F210 HydrophobicContact CB-CZ 4.48Å; M136-F210 HydrophobicContact CE-CD1 3.62Å; M136-F210 HydrophobicContact CE-CE1 3.24Å; M136-F210 HydrophobicContact CE-CZ 4.3Å; I208-F210 HydrophobicContact CG2-CE1 4.07Å; I208-F210 HydrophobicContact CG2-CE2 4.4Å; I208-F210 HydrophobicContact CG2-CZ 3.91Å; F210-S212 WeakPolarHBondContact CB-OG 3.41Å; F210-S212 PolarHBondContact O-N 3.47Å; F210-N213 PolarHBondContact O-N 3.2Å; F210-N213 VanDerWaalsContact O-N 3.17Å; F210-I214 HydrophobicContact CD2-CB 4.49Å; F210-I214 HydrophobicContact CD2-CG2 4.48Å; F210-I214 WeakPolarHBondContact CD2-O 3.4Å; F210-I214 PolarHBondContact N-O 3Å; F210-V216 HydrophobicContact CD2-CG2 4.31Å; F210-V216 HydrophobicContact CE2-CB 4.27Å; F210-V216 HydrophobicContact CE2-CG2 3.65Å
211P77.1Confident85.3Confident21 Ų2134 Ų3414%0.13618%0.184CC..THydrogen-bonded Turntrans-57.5-14.9175.8-29.539.1000115.1I67 L139 M144 N213I67-P211 HydrophobicContact CD1-CG 3.85Å; L139-P211 HydrophobicContact CD2-CG 3.51Å; M144-P211 HydrophobicContact CE-CB 3.91Å; M144-P211 HydrophobicContact CE-CG 4.27Å; P211-N213 PolarHBondContact O-N 3.02Å; P211-N213 VanDerWaalsContact O-N 3.11Å
212S75.8Confident85.8Confident54 Ų5431.8 Ų31.838%0.37817%0.165SC..THydrogen-bonded Turntrans-71.814.1172.853.40000114.6F210 I214F210-S212 WeakPolarHBondContact CB-OG 3.41Å; F210-S212 PolarHBondContact O-N 3.47Å; S212-I214 PolarHBondContact O-N 2.95Å
213N77.1Confident85.6Confident70 Ų7030.8 Ų30.837%0.37416%0.158SC..THydrogen-bonded Turntrans60.223.8-173.4-64.7-38.6000114.4L150 T154 Q155 F210 P211L150-N213 WeakPolarHBondContact CG-OD1 3.5Å; T154-N213 CarbonylContact C-O 3.59Å; T154-N213 WeakPolarHBondContact CA-O 3.37Å; T154-N213 HydrophobicContact CG2-CB 4.45Å; Q155-N213 PolarHBondContact N-O 3.1Å; F210-N213 PolarHBondContact O-N 3.2Å; F210-N213 VanDerWaalsContact O-N 3.17Å; P211-N213 PolarHBondContact O-N 3.02Å; P211-N213 VanDerWaalsContact O-N 3.11Å
214I83.7Confident84.9Confident37 Ų3728.9 Ų28.919%0.1916%0.16CC..EExtended strand (participates in β ladder)trans-107.3128.9175.7-60.1171.9000108.4Q155 C209 F210 S212 V216Q155-I214 CarbonylContact O-C 3.52Å; Q155-I214 WeakPolarHBondContact O-CA 3.44Å; C209-I214 CarbonylContact C-O 3.5Å; C209-I214 WeakPolarHBondContact CA-O 3.28Å; F210-I214 HydrophobicContact CD2-CB 4.49Å; F210-I214 HydrophobicContact CD2-CG2 4.48Å; F210-I214 WeakPolarHBondContact CD2-O 3.4Å; F210-I214 PolarHBondContact N-O 3Å; S212-I214 PolarHBondContact O-N 2.95Å; I214-V216 HydrophobicContact CG2-CG2 4.18Å
215C86.8Confident83.7Confident4 Ų438.9 Ų38.93%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-115134.6169.7-64.20000110.1Q155 R156 Q157 I208 C209Q155-C215 PolarHBondContact O-N 3.44Å; R156-C215 WeakPolarHBondContact CA-O 3.32Å; R156-C215 HydrophobicContact CG-CB 4.15Å; Q157-C215 PolarHBondContact N-O 3.11Å; I208-C215 CarbonylContact O-C 3.57Å; I208-C215 VanDerWaalsContact O-CA 3.31Å; I208-C215 WeakPolarHBondContact O-CA 3.36Å; C209-C215 HydrophobicContact CB-CB 4.14Å; C209-C215 WeakPolarHBondContact CB-SG 3.31Å; C209-C215 WeakPolarHBondContact SG-CB 3.38Å; C209-C215 CovalentContact SG-SG 2.05Å; C209-C215 PolarHBondContact SG-SG 3.09Å
216V89Confident83.4Confident5 Ų538.3 Ų38.33%0.0320%0.201CC..EExtended strand (participates in β ladder)trans-118121.3179.3-175.10000108.7Q157 E159 I208 F210 I214 V218Q157-V216 HydrophobicContact CG-CB 4.32Å; Q157-V216 HydrophobicContact CG-CG1 4.27Å; Q157-V216 HydrophobicContact CG-CG2 3.69Å; Q157-V216 CarbonylContact O-C 3.54Å; Q157-V216 WeakPolarHBondContact O-CA 3.35Å; E159-V216 HydrophobicContact CB-CG1 4.19Å; E159-V216 HydrophobicContact CG-CG1 3.77Å; I208-V216 PolarHBondContact N-O 3.18Å; I208-V216 PolarHBondContact O-N 2.68Å; F210-V216 HydrophobicContact CD2-CG2 4.31Å; F210-V216 HydrophobicContact CE2-CB 4.27Å; F210-V216 HydrophobicContact CE2-CG2 3.65Å; I214-V216 HydrophobicContact CG2-CG2 4.18Å; V216-V218 HydrophobicContact CG1-CG2 3.86Å
217S89.8Confident83.2Confident22 Ų2240.2 Ų40.215%0.15421%0.211CC..EExtended strand (participates in β ladder)trans-91.5106.9169.2-162.80000108.7Q157 T158 E159 D207Q157-S217 PolarHBondContact O-N 3.01Å; T158-S217 WeakPolarHBondContact CA-O 3.34Å; E159-S217 PolarHBondContact N-O 2.85Å; D207-S217 WeakPolarHBondContact OD1-CA 3.45Å; D207-S217 WeakPolarHBondContact OD1-CB 3.32Å; D207-S217 PolarHBondContact OD1-OG 2.9Å
218V92.1Very high82.9Confident2 Ų240 Ų401%0.01221%0.21CC..EExtended strand (participates in β ladder)trans-93.5108.5-178.5-174.10000108.8Y115 E159 L161 C205 I206 I208 V216 F220Y115-V218 HydrophobicContact CE1-CB 4.43Å; Y115-V218 HydrophobicContact CE1-CG1 4.09Å; Y115-V218 HydrophobicContact CE1-CG2 4.26Å; E159-V218 WeakPolarHBondContact O-CA 3.44Å; L161-V218 HydrophobicContact CD1-CG1 3.44Å; L161-V218 VanDerWaalsContact CD1-CG1 3.44Å; L161-V218 HydrophobicContact CG-CG1 3.76Å; C205-V218 CarbonylContact C-O 3.58Å; C205-V218 WeakPolarHBondContact CA-O 3.24Å; I206-V218 PolarHBondContact N-O 3.47Å; I206-V218 PolarHBondContact O-N 3.34Å; I208-V218 HydrophobicContact CD1-CG2 4.19Å; V216-V218 HydrophobicContact CG1-CG2 3.86Å; V218-F220 HydrophobicContact CB-CE2 4.27Å; V218-F220 HydrophobicContact CG1-CD2 4.48Å; V218-F220 HydrophobicContact CG1-CE2 3.68Å; V218-F220 HydrophobicContact CG1-CZ 3.83Å
219C91.7Very high82.6Confident8 Ų842.2 Ų42.25%0.05422%0.222CC..EExtended strand (participates in β ladder)trans-105.3129.5-174.6-68.10000112E159 F160 L161 V202 F204 C205E159-C219 PolarHBondContact O-N 2.77Å; F160-C219 CarbonylContact C-O 3.55Å; F160-C219 WeakPolarHBondContact CA-O 3.31Å; F160-C219 HydrophobicContact CD1-CB 3.79Å; F160-C219 HydrophobicContact CE1-CB 4.06Å; L161-C219 PolarHBondContact N-O 2.8Å; V202-C219 HydrophobicContact CG1-CB 3.82Å; F204-C219 WeakPolarHBondContact O-CA 3.37Å; C205-C219 HydrophobicContact CB-CB 4.11Å; C205-C219 WeakPolarHBondContact CB-SG 3.34Å; C205-C219 VanDerWaalsContact SG-CA 3.59Å; C205-C219 WeakPolarHBondContact SG-CB 3.44Å; C205-C219 CovalentContact SG-SG 2.05Å; C205-C219 PolarHBondContact SG-SG 2.78Å
220F91.1Very high82.4Confident1 Ų144.5 Ų44.50%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-104.2142-174.6-65.6-100.8000111.9Y115 Y124 L161 V163 T190 Y203 F204 I206 V218Y115-F220 AromaticContact CD1-CZ 3.93Å; Y115-F220 HydrophobicContact CD1-CZ 3.93Å; Y115-F220 HydrophobicContact CD2-CE1 4.22Å; Y115-F220 AromaticContact CD2-CZ 3.82Å; Y115-F220 HydrophobicContact CD2-CZ 3.82Å; Y115-F220 HydrophobicContact CE1-CZ 4.43Å; Y115-F220 HydrophobicContact CE2-CZ 4.33Å; Y115-F220 HydrophobicContact CG-CE1 4.36Å; Y115-F220 AromaticContact CG-CZ 3.6Å; Y115-F220 HydrophobicContact CG-CZ 3.6Å; Y124-F220 HydrophobicContact CD1-CD1 4.3Å; Y124-F220 HydrophobicContact CD2-CD1 4.34Å; Y124-F220 HydrophobicContact CD2-CE1 4.22Å; Y124-F220 HydrophobicContact CG-CD1 4.03Å; Y124-F220 AromaticContact CG-CE1 3.88Å; Y124-F220 HydrophobicContact CG-CE1 3.88Å; L161-F220 HydrophobicContact CB-CD1 3.9Å; L161-F220 HydrophobicContact CB-CE1 3.95Å; L161-F220 HydrophobicContact CB-CG 4.47Å; L161-F220 HydrophobicContact CD1-CD1 4.41Å; L161-F220 HydrophobicContact CD1-CE1 3.61Å; L161-F220 HydrophobicContact CD1-CZ 3.72Å; L161-F220 HydrophobicContact CG-CE1 4.38Å; L161-F220 WeakPolarHBondContact O-CA 3.4Å; V163-F220 HydrophobicContact CG2-CD1 4.45Å; T190-F220 HydrophobicContact CG2-CD1 4.2Å; T190-F220 HydrophobicContact CG2-CE1 4.11Å; Y203-F220 PolarHBondContact N-O 3.09Å; F204-F220 HydrophobicContact CD1-CB 4.33Å; F204-F220 AromaticContact CD2-CD2 3.86Å; F204-F220 HydrophobicContact CD2-CD2 3.86Å; F204-F220 HydrophobicContact CD2-CE2 4.42Å; F204-F220 HydrophobicContact CE1-CB 3.84Å; F204-F220 HydrophobicContact CE1-CD2 4.19Å; F204-F220 HydrophobicContact CE1-CG 4.04Å; F204-F220 HydrophobicContact CE2-CB 4.35Å; F204-F220 AromaticContact CE2-CD2 3.17Å; F204-F220 HydrophobicContact CE2-CD2 3.17Å; F204-F220 AromaticContact CE2-CE2 3.53Å; F204-F220 HydrophobicContact CE2-CE2 3.53Å; F204-F220 AromaticContact CE2-CG 3.85Å; F204-F220 HydrophobicContact CE2-CG 3.85Å; F204-F220 HydrophobicContact CE2-CZ 4.42Å; F204-F220 HydrophobicContact CZ-CB 3.83Å; F204-F220 HydrophobicContact CZ-CD1 4.13Å; F204-F220 AromaticContact CZ-CD2 3.36Å; F204-F220 HydrophobicContact CZ-CD2 3.36Å; F204-F220 AromaticContact CZ-CE2 3.9Å; F204-F220 HydrophobicContact CZ-CE2 3.9Å; F204-F220 AromaticContact CZ-CG 3.49Å; F204-F220 HydrophobicContact CZ-CG 3.49Å; F204-F220 VanDerWaalsContact CZ-CG 3.49Å; F204-F220 HydrophobicContact CZ-CZ 4.47Å; F204-F220 PolarHBondContact O-N 3.09Å; I206-F220 HydrophobicContact CD1-CE2 4.24Å; V218-F220 HydrophobicContact CB-CE2 4.27Å; V218-F220 HydrophobicContact CG1-CD2 4.48Å; V218-F220 HydrophobicContact CG1-CE2 3.68Å; V218-F220 HydrophobicContact CG1-CZ 3.83Å
221Y89.3Confident82.3Confident3 Ų347.1 Ų47.11%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-150.5155173.868.5-77.2000111.1F160 L161 G162 V163 Q193 G195 R200 L223F160-Y221 HydrophobicContact CB-CE1 3.93Å; L161-Y221 WeakPolarHBondContact O-CD1 3.34Å; L161-Y221 PolarHBondContact O-N 2.9Å; G162-Y221 CarbonylContact C-O 3.56Å; G162-Y221 VanDerWaalsContact CA-O 3.31Å; G162-Y221 WeakPolarHBondContact CA-O 3.48Å; V163-Y221 PolarHBondContact N-O 3.39Å; Q193-Y221 HydrophobicContact CB-CE1 4.34Å; Q193-Y221 WeakPolarHBondContact CB-OH 3.43Å; Q193-Y221 WeakPolarHBondContact CG-OH 3.44Å; G195-Y221 PolarHBondContact O-OH 3.09Å; R200-Y221 HydrophobicContact CB-CD2 4.13Å; Y221-L223 HydrophobicContact CD2-CD2 4.4Å; Y221-L223 HydrophobicContact CE2-CD2 3.65Å
222Y85.3Confident82.7Confident117 Ų11749 Ų4946%0.45926%0.255SS..EExtended strand (participates in β ladder)trans-82.3138.9178.4-69.6-83.5000111.8V163 Y203V163-Y222 HydrophobicContact CB-CD1 3.81Å; V163-Y222 HydrophobicContact CB-CE1 4.04Å; V163-Y222 HydrophobicContact CB-CG 4.5Å; V163-Y222 HydrophobicContact CG1-CD1 3.95Å; V163-Y222 HydrophobicContact CG1-CE1 3.8Å; V163-Y222 HydrophobicContact CG2-CD1 4.47Å; V163-Y222 HydrophobicContact CG2-CE1 4.43Å; Y203-Y222 HydrophobicContact CD1-CE2 4.42Å
223L76.9Confident83.2Confident39 Ų3948.6 Ų48.620%0.20425%0.245CC..PPolyproline II helixtrans-85.1134.8168.4-59.4177.5000109V163 M164 Y221V163-L223 PolarHBondContact O-N 3.03Å; M164-L223 HydrophobicContact CG-CD1 4.03Å; Y221-L223 HydrophobicContact CD2-CD2 4.4Å; Y221-L223 HydrophobicContact CE2-CD2 3.65Å
224P68.2Low83.7Confident85 Ų8546.8 Ų46.855%0.55224%0.235SC*.PPolyproline II helixtrans-66.5144.7169.429.6-31.6000109.3R200R200-P224 VanDerWaalsContact NH1-CD 3.34Å
225E60.9Low83.7Confident239 Ų23947.7 Ų47.7100%1.11724%0.239SC*.  trans-65.80172.8-61.5-177.717200112.2

Retrieved 225 of 225 residues in 39.5 ms (Link to these results)