M4Q573_SALSA Loading...

Insulin-like growth factor-binding protein 5

AlphaFold DB , UniProt , Accession M4Q573, Species SALSA (Salmo salar, Atlantic salmon), Gene IGFBP-5B2, Length 270 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
1M53.8Low51.4Low215 Ų215130.5 Ų130.5100%1.05967%0.671SS**  0-38.10-122.1157.869.100113.5
2F50.5Low51.1Low179 Ų179129.3 Ų129.379%0.78567%0.674SS**Hα-helixtrans-69.6-35-179.9-71.9-79.9000115.6S4 F5 C6F2-S4 VanDerWaalsContact C-N 3.32Å; F2-S4 PolarHBondContact O-N 3.4Å; F2-F5 PolarHBondContact O-N 3.4Å; F2-C6 PolarHBondContact O-N 3.25Å
3L52.7Low50.8Low146 Ų146129.5 Ų129.576%0.76468%0.675SS**Hα-helixtrans-65.4-32.5177.2-95.788000113.6F5 C6 L7L3-F5 VanDerWaalsContact C-N 3.33Å; L3-C6 PolarHBondContact O-N 3.36Å; L3-L7 WeakPolarHBondContact O-CG 3.4Å; L3-L7 PolarHBondContact O-N 3.36Å
4S52.6Low49.9Very low77 Ų77124.2 Ų124.254%0.53867%0.668SS.*Hα-helixtrans-69.4-34179.3-164.90000111.5F2 L7 L8F2-S4 VanDerWaalsContact C-N 3.32Å; F2-S4 PolarHBondContact O-N 3.4Å; S4-L7 PolarHBondContact O-N 2.03Å; S4-L8 PolarHBondContact O-N 3.42Å
5F51.9Low49.5Very low147 Ų147125.5 Ų125.565%0.64567%0.674SS**Hα-helixtrans-72.2-35178.3-144.6-96.4000112.3F2 L3 L8 L9F2-F5 PolarHBondContact O-N 3.4Å; L3-F5 VanDerWaalsContact C-N 3.33Å; F5-L8 PolarHBondContact O-N 3Å; F5-L9 HydrophobicContact CE1-CD1 4.4Å; F5-L9 PolarHBondContact O-N 3.44Å; F5-L9 VanDerWaalsContact O-N 3.14Å
6C53.6Low49.3Very low86 Ų86125.1 Ų125.158%0.58168%0.677SS**Hα-helixtrans-68-33.8174.8-67.30000113F2 L3 T10F2-C6 PolarHBondContact O-N 3.25Å; L3-C6 PolarHBondContact O-N 3.36Å; C6-T10 PolarHBondContact O-N 3.35Å; C6-T10 PolarHBondContact O-OG1 2.97Å
7L53.1Low49.4Very low122 Ų122120.4 Ų120.464%0.63967%0.665SS**Hα-helixtrans-73.3-30.4176.5-70.5169.8000112.6L3 S4 T10 F11L3-L7 WeakPolarHBondContact O-CG 3.4Å; L3-L7 PolarHBondContact O-N 3.36Å; S4-L7 PolarHBondContact O-N 2.03Å; L7-T10 PolarHBondContact O-OG1 2.89Å; L7-F11 PolarHBondContact O-N 3.44Å
8L51.6Low49.5Very low107 Ų107120.6 Ų120.656%0.5668%0.676SS**Hα-helixtrans-72.4-36.8173.2-78.5160000111.8S4 F5 F11 V12S4-L8 PolarHBondContact O-N 3.42Å; F5-L8 PolarHBondContact O-N 3Å; L8-F11 PolarHBondContact O-N 2.84Å; L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 2.8Å; L8-V12 VanDerWaalsContact O-N 3.15Å
9L49.5Very low49.6Very low104 Ų104124.8 Ų124.855%0.54569%0.687SS.*Hα-helixtrans-67.4-35.9177.3-129.589.7000112.8F5 F11 L13F5-L9 HydrophobicContact CE1-CD1 4.4Å; F5-L9 PolarHBondContact O-N 3.44Å; F5-L9 VanDerWaalsContact O-N 3.14Å; L9-F11 VanDerWaalsContact C-N 3.34Å; L9-L13 PolarHBondContact O-N 2.83Å
10T51.8Low49.8Very low94 Ų94121.4 Ų121.458%0.57768%0.682SS**Hα-helixtrans-72.2-28.5175.153.20000112.4C6 L7 G14C6-T10 PolarHBondContact O-N 3.35Å; C6-T10 PolarHBondContact O-OG1 2.97Å; L7-T10 PolarHBondContact O-OG1 2.89Å; T10-G14 PolarHBondContact O-N 2.71Å
11F44.4Very low50.3Low158 Ų158121.6 Ų121.669%0.69369%0.691SS**Hα-helixtrans-71.9-35.6175-155.1-99.3000112.4L7 L8 L9 G14L7-F11 PolarHBondContact O-N 3.44Å; L8-F11 PolarHBondContact O-N 2.84Å; L9-F11 VanDerWaalsContact C-N 3.34Å; F11-G14 PolarHBondContact O-N 3.41Å
12V47.8Very low51.2Low116 Ų116120.6 Ų120.670%0.70368%0.677SS**Hα-helixtrans-73.3-31.6177.9179.30000112.2L8L8-V12 WeakPolarHBondContact O-CG2 3.49Å; L8-V12 PolarHBondContact O-N 2.8Å; L8-V12 VanDerWaalsContact O-N 3.15Å
13L47.3Very low52.2Low132 Ų132116.5 Ų116.569%0.69167%0.667SS**Hα-helixtrans-82.2-12175.7-72164.4000113.9L9L9-L13 PolarHBondContact O-N 2.83Å
14G38.5Very low53.5Low56 Ų56113.2 Ų113.258%0.57765%0.654SS**SBendtrans-81.4-15.4-178.400000115T10 F11 T16T10-G14 PolarHBondContact O-N 2.71Å; F11-G14 PolarHBondContact O-N 3.41Å; G14-T16 PolarHBondContact O-N 2.04Å
15L43.1Very low55Low143 Ų143112.2 Ų112.275%0.74965%0.647SS**  trans-86.253.5175.4-72.3162000110.8G17L15-G17 PolarHBondContact O-N 2.86Å
16T47.3Very low56.4Low119 Ų119111 Ų11173%0.7364%0.643SS**  trans-72.981.2155.150.50000106.5G14 S18G14-T16 PolarHBondContact O-N 2.04Å; T16-S18 PolarHBondContact O-N 3.15Å
17G50.1Low58Low45 Ų45112.3 Ų112.346%0.46465%0.65SS.*  trans-48.4117.816800000107.2L15 F19L15-G17 PolarHBondContact O-N 2.86Å; G17-F19 VanDerWaalsContact O-CD2 3.24Å; G17-F19 WeakPolarHBondContact O-CD2 3.42Å; G17-F19 PolarHBondContact O-N 2.92Å
18S51.2Low59.7Low125 Ų125108.6 Ų108.687%0.87463%0.634SS**  trans-64.388.1170-74.90000106.8T16 G20T16-S18 PolarHBondContact O-N 3.15Å; S18-G20 VanDerWaalsContact C-N 3.32Å; S18-G20 PolarHBondContact O-N 3.12Å
19F51.5Low61.6Low200 Ų200107.8 Ų107.888%0.87763%0.63SS**  trans-58.5104.3166.5-66.5-79.5000105.5G17 S21G17-F19 VanDerWaalsContact O-CD2 3.24Å; G17-F19 WeakPolarHBondContact O-CD2 3.42Å; G17-F19 PolarHBondContact O-N 2.92Å; F19-S21 PolarHBondContact O-N 2.79Å
20G53.8Low63.6Low57 Ų57110.2 Ų110.259%0.58864%0.639SS**  trans-51.4139.6166.200000107.8S18 Y22S18-G20 VanDerWaalsContact C-N 3.32Å; S18-G20 PolarHBondContact O-N 3.12Å; G20-Y22 PolarHBondContact O-N 3.18Å
21S60.5Low65.4Low126 Ų126112.4 Ų112.488%0.88164%0.64SS**  trans-61.7103.7174.3-56.50000108.4F19F19-S21 PolarHBondContact O-N 2.79Å
22Y71.5Confident67.4Low193 Ų193106.1 Ų106.176%0.75762%0.617SS**  trans-93.6129175.3176.8-113.5000108.8G20 P24G20-Y22 PolarHBondContact O-N 3.18Å; Y22-P24 HydrophobicContact CD1-CB 4.18Å; Y22-P24 HydrophobicContact CD1-CG 4.29Å; Y22-P24 HydrophobicContact CE1-CB 3.57Å; Y22-P24 HydrophobicContact CE1-CG 4.17Å; Y22-P24 VanDerWaalsContact O-CD 3.26Å; Y22-P24 WeakPolarHBondContact O-CD 3.05Å
23V73.4Confident69.4Low94 Ų94104.1 Ų104.157%0.5760%0.603SS**  trans-107.993.8176.5-175.10000107.8A208V23-A208 HydrophobicContact CG1-CB 3.97Å
24P79.7Confident71.4Confident77 Ų77102.2 Ų102.250%0.560%0.6SS.*PPolyproline II helixtrans-69.7153.9176.725.8-30.9000111.5Y22Y22-P24 HydrophobicContact CD1-CB 4.18Å; Y22-P24 HydrophobicContact CD1-CG 4.29Å; Y22-P24 HydrophobicContact CE1-CB 3.57Å; Y22-P24 HydrophobicContact CE1-CG 4.17Å; Y22-P24 VanDerWaalsContact O-CD 3.26Å; Y22-P24 WeakPolarHBondContact O-CD 3.05Å
25C82.8Confident73.9Confident56 Ų56106.1 Ų106.138%0.37861%0.605SS.*PPolyproline II helixtrans-62.7151.1159.1-73.10000110.1C51C25-C51 HydrophobicContact CB-CB 3.63Å; C25-C51 WeakPolarHBondContact CB-SG 3.43Å; C25-C51 WeakPolarHBondContact SG-CA 3.01Å; C25-C51 WeakPolarHBondContact SG-CB 3.37Å; C25-C51 CovalentContact SG-SG 2.04Å; C25-C51 PolarHBondContact SG-SG 3.04Å
26E81.9Confident76.3Confident120 Ų120101 Ų10156%0.56158%0.58SS**PPolyproline II helixtrans-61.6134.5168.7-166.4170.9155.400109.5L209E26-L209 HydrophobicContact CB-CD1 4.29Å; E26-L209 WeakPolarHBondContact OE2-CD1 3.32Å; E26-L209 WeakPolarHBondContact OE2-CD2 3.49Å
27P87.8Confident78.3Confident115 Ų11599 Ų9975%0.74757%0.57SS**PPolyproline II helixtrans-62.9142.1175.525-32.6000110.4D29P27-D29 PolarHBondContact O-N 3.21Å
28C88.9Confident80.2Confident43 Ų43102.6 Ų102.629%0.29159%0.585SS.*PPolyproline II helixtrans-73.5120.6178.5-62.80000110L33 C53C28-L33 HydrophobicContact CB-CD2 4.23Å; C28-L33 HydrophobicContact CB-CG 4.24Å; C28-C53 HydrophobicContact CB-CB 3.72Å; C28-C53 WeakPolarHBondContact CB-SG 2.96Å; C28-C53 WeakPolarHBondContact SG-CA 3.44Å; C28-C53 WeakPolarHBondContact SG-CB 3.08Å; C28-C53 CovalentContact SG-SG 2.03Å; C28-C53 PolarHBondContact SG-SG 3.38Å
29D90.3Very high82Confident91 Ų91100.6 Ų100.649%0.48757%0.567SS.*PPolyproline II helixtrans-82.1166.8173.172.6-14.2000111.3P27 K31 A32 L33P27-D29 PolarHBondContact O-N 3.21Å; D29-K31 PolarHBondContact O-N 3.19Å; D29-A32 PolarHBondContact O-N 3.26Å; D29-A32 WeakPolarHBondContact OD1-CB 3.36Å; D29-A32 PolarHBondContact OD1-N 3.27Å; D29-L33 WeakPolarHBondContact O-CG 3.01Å; D29-L33 PolarHBondContact O-N 2.86Å; D29-L33 VanDerWaalsContact O-N 3.12Å
30Q92.1Very high83.8Confident154 Ų15493.1 Ų93.172%0.7254%0.539SS*.Hα-helixtrans-61.2-30.3-178.2-164.467.81000112.1S34Q30-S34 WeakPolarHBondContact O-CB 3.44Å; Q30-S34 PolarHBondContact O-N 3.41Å; Q30-S34 PolarHBondContact O-OG 3.13Å
31K90.1Very high85.5Confident141 Ų14197 Ų9761%0.61355%0.551SS**Hα-helixtrans-68.9-43.3177.2-174-179.8178.9179.90111.7D29 L33 S34 M35D29-K31 PolarHBondContact O-N 3.19Å; K31-L33 VanDerWaalsContact C-N 3.32Å; K31-S34 PolarHBondContact O-N 2.88Å; K31-S34 PolarHBondContact O-OG 2.99Å; K31-M35 HydrophobicContact CG-CE 4.36Å; K31-M35 WeakPolarHBondContact O-CE 3.35Å; K31-M35 WeakPolarHBondContact O-CG 3.43Å; K31-M35 PolarHBondContact O-N 2.72Å
32A86.7Confident86.9Confident25 Ų2595.3 Ų95.321%0.20755%0.554CS.*Hα-helixtrans-63.5-40.5175.300000111.6D29 M35 C53D29-A32 PolarHBondContact O-N 3.26Å; D29-A32 WeakPolarHBondContact OD1-CB 3.36Å; D29-A32 PolarHBondContact OD1-N 3.27Å; A32-M35 PolarHBondContact O-N 2.04Å; A32-C53 HydrophobicContact CB-CB 4.35Å
33L89.5Confident87.9Confident75 Ų7588.3 Ų88.339%0.39353%0.532SS..Hα-helixtrans-67.7-37.3178.1-67.4170.3000112.5C28 D29 K31 M35 C36 C53C28-L33 HydrophobicContact CB-CD2 4.23Å; C28-L33 HydrophobicContact CB-CG 4.24Å; D29-L33 WeakPolarHBondContact O-CG 3.01Å; D29-L33 PolarHBondContact O-N 2.86Å; D29-L33 VanDerWaalsContact O-N 3.12Å; K31-L33 VanDerWaalsContact C-N 3.32Å; L33-M35 PolarHBondContact O-N 2.84Å; L33-C36 WeakPolarHBondContact O-CB 3.34Å; L33-C36 PolarHBondContact O-N 3.15Å; L33-C53 HydrophobicContact CD2-CB 4.25Å
34S89.9Confident88.8Confident92 Ų9288.6 Ų88.664%0.64353%0.527SS*.Hα-helixtrans-71.7-17.717968.20000114Q30 K31 C36Q30-S34 WeakPolarHBondContact O-CB 3.44Å; Q30-S34 PolarHBondContact O-N 3.41Å; Q30-S34 PolarHBondContact O-OG 3.13Å; K31-S34 PolarHBondContact O-N 2.88Å; K31-S34 PolarHBondContact O-OG 2.99Å; S34-C36 VanDerWaalsContact C-N 3.33Å
35M91Very high89.5Confident137 Ų13788.5 Ų88.568%0.67552%0.522SS*.THydrogen-bonded Turntrans-87.2-0.1174.9-66.9-175.5-62.700113.4K31 A32 L33K31-M35 HydrophobicContact CG-CE 4.36Å; K31-M35 WeakPolarHBondContact O-CE 3.35Å; K31-M35 WeakPolarHBondContact O-CG 3.43Å; K31-M35 PolarHBondContact O-N 2.72Å; A32-M35 PolarHBondContact O-N 2.04Å; L33-M35 PolarHBondContact O-N 2.84Å
36C91.7Very high90Very high35 Ų3587 Ų8724%0.23651%0.512CS..SBendtrans-69144-179.3-71.90000112.2L33 S34 C54L33-C36 WeakPolarHBondContact O-CB 3.34Å; L33-C36 PolarHBondContact O-N 3.15Å; S34-C36 VanDerWaalsContact C-N 3.33Å; C36-C54 WeakPolarHBondContact CA-SG 3.48Å; C36-C54 HydrophobicContact CB-CB 3.69Å; C36-C54 WeakPolarHBondContact CB-SG 3.29Å; C36-C54 WeakPolarHBondContact SG-CA 3.47Å; C36-C54 WeakPolarHBondContact SG-CB 3.28Å; C36-C54 CovalentContact SG-SG 2.04Å; C36-C54 PolarHBondContact SG-SG 3.38Å
37P90.3Very high90.3Very high78 Ų7886.5 Ų86.551%0.50651%0.507SS..PPolyproline II helixtrans-63159.9171.329.6-34.9000110.4V39P37-V39 PolarHBondContact O-N 3.24Å
38P90.6Very high90.4Very high120 Ų12082.5 Ų82.578%0.77948%0.479SS*.PPolyproline II helixtrans-53.9137.9175.221.9-32.4000110.7P40P38-P40 WeakPolarHBondContact O-CD 3.42Å
39V87.4Confident90.3Very high83 Ų8380.9 Ų80.950%0.50347%0.468SS..PPolyproline II helixtrans-61.3123.5-176.2-179.30000108.9P37 L45 L55P37-V39 PolarHBondContact O-N 3.24Å; V39-L45 HydrophobicContact CG1-CD1 3.42Å; V39-L45 VanDerWaalsContact CG1-CD1 3.42Å; V39-L45 HydrophobicContact CG1-CD2 3.71Å; V39-L45 HydrophobicContact CG1-CG 4.22Å; V39-L55 HydrophobicContact CG1-CD1 4.44Å
40P89.1Confident90Very high43 Ų4379.3 Ų79.328%0.27947%0.473SS..PPolyproline II helixtrans-59.5139.8179.3-24.834.6000111.9P38 L45 C57P38-P40 WeakPolarHBondContact O-CD 3.42Å; P40-L45 HydrophobicContact CB-CD2 4.46Å; P40-L45 WeakPolarHBondContact O-CD2 3.3Å; P40-C57 WeakPolarHBondContact CB-SG 3.33Å
41V90.9Very high89.7Confident139 Ų13974.8 Ų74.884%0.84246%0.458SS*.SBendtrans-104.5152.1176.1-64.30000110.7
42G90Very high89.5Confident91 Ų9168.6 Ų68.694%0.93843%0.434SS*.SBendtrans81.617.6175.400000115.6
43C91.3Very high89.6Confident46 Ų4668.9 Ų68.931%0.31143%0.434SS..SBendtrans-144.9163.817866.30000111.2L45 C57C43-L45 PolarHBondContact O-N 3.01Å; C43-C57 HydrophobicContact CB-CB 3.63Å; C43-C57 WeakPolarHBondContact CB-SG 3.21Å; C43-C57 WeakPolarHBondContact SG-CA 3.44Å; C43-C57 WeakPolarHBondContact SG-CB 3.15Å; C43-C57 CovalentContact SG-SG 2.03Å; C43-C57 PolarHBondContact SG-SG 3.33Å
44Q93.4Very high89.7Confident100 Ų10066.1 Ų66.147%0.46742%0.42SS..  trans-72.1124171.1-178.7163.3-15.700110A58 T73Q44-A58 HydrophobicContact CB-CB 4.24Å; Q44-A58 HydrophobicContact CG-CB 4.49Å; Q44-A58 WeakPolarHBondContact O-CB 3.06Å; Q44-A58 PolarHBondContact O-N 2.83Å; Q44-T73 PolarHBondContact NE2-OG1 2.98Å; Q44-T73 PolarHBondContact OE1-OG1 3.25Å
45L93.8Very high89.8Confident74 Ų7465.3 Ų65.339%0.38741%0.409SS..EExtended strand (participates in β ladder)trans-81.5134-178.9-65.9174.4000111.5V39 P40 C43 L55V39-L45 HydrophobicContact CG1-CD1 3.42Å; V39-L45 VanDerWaalsContact CG1-CD1 3.42Å; V39-L45 HydrophobicContact CG1-CD2 3.71Å; V39-L45 HydrophobicContact CG1-CG 4.22Å; P40-L45 HydrophobicContact CB-CD2 4.46Å; P40-L45 WeakPolarHBondContact O-CD2 3.3Å; C43-L45 PolarHBondContact O-N 3.01Å; L45-L55 HydrophobicContact CD1-CD1 4.29Å; L45-L55 HydrophobicContact CD2-CB 4.4Å
46V93.1Very high89.8Confident26 Ų2660 Ų6016%0.15838%0.384CS..EExtended strand (participates in β ladder)trans-137.6153.9176.8-74.50000109.8L55 T56 A58 T71V46-L55 WeakPolarHBondContact O-CA 3.35Å; V46-T56 VanDerWaalsContact CG2-O 3.32Å; V46-T56 WeakPolarHBondContact CG2-O 3.32Å; V46-T56 PolarHBondContact N-O 2.83Å; V46-T56 PolarHBondContact O-N 3.45Å; V46-A58 HydrophobicContact CB-CB 4.32Å; V46-A58 HydrophobicContact CG1-CB 3.69Å; V46-A58 VanDerWaalsContact CG2-CA 3.49Å; V46-A58 HydrophobicContact CG2-CB 3.63Å; V46-T71 WeakPolarHBondContact CG2-OG1 2.98Å
47K89.5Confident89.9Confident109 Ų10960.9 Ų60.947%0.47439%0.39SS..EExtended strand (participates in β ladder)trans-65.1147.7173.8-168.8172.2178174.70110G52 T71K47-G52 WeakPolarHBondContact CE-O 3.13Å; K47-T71 PolarHBondContact O-OG1 3.41Å
48E88.3Confident90.2Very high30 Ų3058 Ų5814%0.1437%0.372CS..PPolyproline II helixtrans-53.5146.6171.6-52.5-152.912300112.4G52 C54 T56 R233E48-G52 WeakPolarHBondContact OE2-CA 3.39Å; E48-C54 HydrophobicContact CG-CB 3.81Å; E48-C54 WeakPolarHBondContact CG-O 3.01Å; E48-C54 PolarHBondContact N-O 2.03Å; E48-C54 VanDerWaalsContact N-O 3.15Å; E48-T56 HydrophobicContact CG-CG2 4.49Å; E48-R233 IonicContact OE1-CZ 2.85Å; E48-R233 IonicContact OE1-NE 3.6Å; E48-R233 IonicContact OE1-NH1 2.84Å; E48-R233 PolarHBondContact OE1-NH1 3.03Å; E48-R233 IonicContact OE1-NH2 2.89Å; E48-R233 PolarHBondContact OE1-NH2 3.34Å; E48-R233 IonicContact OE2-CZ 3.95Å; E48-R233 IonicContact OE2-NE 3.98Å
49P86.7Confident90.4Very high10 Ų1053.8 Ų53.87%0.06534%0.343CS..SBendtrans-57.6149172.625.5-38.5000112.5T69 T71 R233P49-T69 WeakPolarHBondContact CB-O 3.31Å; P49-T69 WeakPolarHBondContact CG-O 3.02Å; P49-T71 HydrophobicContact CB-CG2 4.21Å; P49-R233 HydrophobicContact CG-CB 4.35Å; P49-R233 HydrophobicContact CG-CG 3.83Å
50G85.3Confident90.8Very high58 Ų5853.2 Ų53.260%0.59834%0.343SS*.THydrogen-bonded Turntrans72.2-130.8-177.800000112.3
51C85.1Confident91.1Very high59 Ų5957.1 Ų57.140%0.39936%0.357SS..THydrogen-bonded Turntrans-103.323.9178.2-58.40000113.1C25C25-C51 HydrophobicContact CB-CB 3.63Å; C25-C51 WeakPolarHBondContact CB-SG 3.43Å; C25-C51 WeakPolarHBondContact SG-CA 3.01Å; C25-C51 WeakPolarHBondContact SG-CB 3.37Å; C25-C51 CovalentContact SG-SG 2.04Å; C25-C51 PolarHBondContact SG-SG 3.04Å
52G85.6Confident91.2Very high10 Ų1052.9 Ų52.910%0.10334%0.341CS..  trans-68.3149179.100000112.1K47 E48K47-G52 WeakPolarHBondContact CE-O 3.13Å; E48-G52 WeakPolarHBondContact OE2-CA 3.39Å
53C90Very high91.5Very high32 Ų3252.7 Ų52.722%0.21632%0.316CS..  trans-97.4-14.4-170.7-69.50000114.4C28 A32 L33C28-C53 HydrophobicContact CB-CB 3.72Å; C28-C53 WeakPolarHBondContact CB-SG 2.96Å; C28-C53 WeakPolarHBondContact SG-CA 3.44Å; C28-C53 WeakPolarHBondContact SG-CB 3.08Å; C28-C53 CovalentContact SG-SG 2.03Å; C28-C53 PolarHBondContact SG-SG 3.38Å; A32-C53 HydrophobicContact CB-CB 4.35Å; L33-C53 HydrophobicContact CD2-CB 4.25Å
54C90.9Very high91.7Very high16 Ų1653.3 Ų53.311%0.10833%0.325CS..SBendtrans-91.9178-172.9-48.20000113.2C36 E48C36-C54 WeakPolarHBondContact CA-SG 3.48Å; C36-C54 HydrophobicContact CB-CB 3.69Å; C36-C54 WeakPolarHBondContact CB-SG 3.29Å; C36-C54 WeakPolarHBondContact SG-CA 3.47Å; C36-C54 WeakPolarHBondContact SG-CB 3.28Å; C36-C54 CovalentContact SG-SG 2.04Å; C36-C54 PolarHBondContact SG-SG 3.38Å; E48-C54 HydrophobicContact CG-CB 3.81Å; E48-C54 WeakPolarHBondContact CG-O 3.01Å; E48-C54 PolarHBondContact N-O 2.03Å; E48-C54 VanDerWaalsContact N-O 3.15Å
55L91.8Very high91.8Very high75 Ų7548.6 Ų48.639%0.39330%0.302SS..EExtended strand (participates in β ladder)trans-107.6143.1174.5-63.8175.4000110.3V39 L45 V46V39-L55 HydrophobicContact CG1-CD1 4.44Å; L45-L55 HydrophobicContact CD1-CD1 4.29Å; L45-L55 HydrophobicContact CD2-CB 4.4Å; V46-L55 WeakPolarHBondContact O-CA 3.35Å
56T91.9Very high91.8Very high27 Ų2745.6 Ų45.617%0.16629%0.29CS..EExtended strand (participates in β ladder)trans-136.2165.7173.6520000111.8V46 E48 R233V46-T56 VanDerWaalsContact CG2-O 3.32Å; V46-T56 WeakPolarHBondContact CG2-O 3.32Å; V46-T56 PolarHBondContact N-O 2.83Å; V46-T56 PolarHBondContact O-N 3.45Å; E48-T56 HydrophobicContact CG-CG2 4.49Å; T56-R233 PolarHBondContact OG1-NH2 3.06Å
57C93.9Very high91.7Very high53 Ų5348 Ų4836%0.35830%0.304SS..EExtended strand (participates in β ladder)trans-65.4137.1169.7-67.30000111.3P40 C43P40-C57 WeakPolarHBondContact CB-SG 3.33Å; C43-C57 HydrophobicContact CB-CB 3.63Å; C43-C57 WeakPolarHBondContact CB-SG 3.21Å; C43-C57 WeakPolarHBondContact SG-CA 3.44Å; C43-C57 WeakPolarHBondContact SG-CB 3.15Å; C43-C57 CovalentContact SG-SG 2.03Å; C43-C57 PolarHBondContact SG-SG 3.33Å
58A95Very high91.6Very high16 Ų1645.6 Ų45.613%0.13229%0.293CS..PPolyproline II helixtrans-75.2148.2174.300000111.9Q44 V46 T71Q44-A58 HydrophobicContact CB-CB 4.24Å; Q44-A58 HydrophobicContact CG-CB 4.49Å; Q44-A58 WeakPolarHBondContact O-CB 3.06Å; Q44-A58 PolarHBondContact O-N 2.83Å; V46-A58 HydrophobicContact CB-CB 4.32Å; V46-A58 HydrophobicContact CG1-CB 3.69Å; V46-A58 VanDerWaalsContact CG2-CA 3.49Å; V46-A58 HydrophobicContact CG2-CB 3.63Å; A58-T71 CarbonylContact C-O 3.46Å; A58-T71 VanDerWaalsContact CA-O 3.3Å; A58-T71 WeakPolarHBondContact CA-O 3.45Å
59L95.6Very high91.8Very high33 Ų3346.1 Ų46.117%0.17330%0.298CS..BIsolated β-bridgetrans-76.5135170.5-59.7178.2000110.6Q63 A64 C65 G70 T71 T73 C98L59-Q63 HydrophobicContact CB-CB 4.28Å; L59-A64 WeakPolarHBondContact CD1-O 3.33Å; L59-C65 HydrophobicContact CD1-CB 3.77Å; L59-G70 WeakPolarHBondContact CD1-O 3.19Å; L59-T71 PolarHBondContact N-O 3.33Å; L59-T73 WeakPolarHBondContact O-CB 3.48Å; L59-T73 PolarHBondContact O-N 3.44Å; L59-C98 VanDerWaalsContact CB-SG 3.51Å
60S95.3Very high91.9Very high70 Ų7047 Ų4749%0.4931%0.309SS..PPolyproline II helixtrans-75.6166.7175.6-49.80000112.2Q63 C98S60-Q63 WeakPolarHBondContact O-CB 3.06Å; S60-Q63 PolarHBondContact O-N 3.19Å; S60-C98 WeakPolarHBondContact O-CB 3.05Å
61E94.9Very high92.3Very high126 Ų12646.1 Ų46.159%0.58929%0.292SS*.THydrogen-bonded Turntrans-56.7139.5174.7-167.6168.7-161.200111.8Q63 L76 C98E61-Q63 PolarHBondContact O-N 3.15Å; E61-L76 VanDerWaalsContact CA-CD1 3.49Å; E61-L76 HydrophobicContact CB-CD1 3.68Å; E61-L76 HydrophobicContact CG-CD1 4.21Å; E61-C98 WeakPolarHBondContact CA-O 3.3Å
62G93.3Very high92.8Very high49 Ų4944.2 Ų44.251%0.50528%0.279SS..THydrogen-bonded Turntrans81.5-14.1-179.300000115.2C98G62-C98 PolarHBondContact N-O 3.34Å
63Q96.4Very high93.1Very high88 Ų8845.1 Ų45.141%0.41128%0.282SS..  trans-69.7146.6178.1-68.1-168.2-54.400112.3L59 S60 E61 V97 C98L59-Q63 HydrophobicContact CB-CB 4.28Å; S60-Q63 WeakPolarHBondContact O-CB 3.06Å; S60-Q63 PolarHBondContact O-N 3.19Å; E61-Q63 PolarHBondContact O-N 3.15Å; Q63-V97 WeakPolarHBondContact O-CA 3.03Å; Q63-C98 PolarHBondContact O-N 3.25Å
64A96.4Very high93.2Very high59 Ų5951.5 Ų51.549%0.48831%0.309SS..EExtended strand (participates in β ladder)trans-66.3136.2176.100000111.1L59 G96L59-A64 WeakPolarHBondContact CD1-O 3.33Å; A64-G96 CarbonylContact C-O 3.43Å; A64-G96 VanDerWaalsContact CA-O 3.29Å; A64-G96 WeakPolarHBondContact CA-O 3.42Å
65C95.4Very high93.1Very high0 Ų053.4 Ų53.40%033%0.331CS..EExtended strand (participates in β ladder)trans-148.1168.3-176.469.10000112.1L59 T69 C78 G94 G96 V97 C98L59-C65 HydrophobicContact CD1-CB 3.77Å; C65-T69 VanDerWaalsContact CA-OG1 3.28Å; C65-T69 WeakPolarHBondContact CA-OG1 3.48Å; C65-C78 HydrophobicContact CB-CB 3.88Å; C65-C78 WeakPolarHBondContact CB-SG 2.77Å; C65-C78 PolarHBondContact O-SG 2.94Å; C65-C78 WeakPolarHBondContact SG-CA 3.43Å; C65-C78 WeakPolarHBondContact SG-CB 2.94Å; C65-C78 CovalentContact SG-SG 2.03Å; C65-C78 PolarHBondContact SG-SG 2.03Å; C65-G94 CarbonylContact O-C 3.45Å; C65-G94 VanDerWaalsContact O-CA 3.31Å; C65-G94 WeakPolarHBondContact O-CA 3.39Å; C65-G96 PolarHBondContact N-O 3.26Å; C65-G96 CarbonylContact O-C 3.56Å; C65-G96 WeakPolarHBondContact O-CA 2.98Å; C65-G96 PolarHBondContact O-N 3.26Å; C65-V97 PolarHBondContact SG-N 3.45Å; C65-V97 VanDerWaalsContact SG-N 3.35Å; C65-C98 PolarHBondContact SG-N 3.22Å
66G93.4Very high93.2Very high12 Ų1251.2 Ų51.212%0.12432%0.32CS..  trans-173.2-171.9177.700000112.6Y68 T69 C78 L91G66-Y68 VanDerWaalsContact C-N 3.25Å; G66-Y68 PolarHBondContact O-N 3.43Å; G66-T69 PolarHBondContact N-OG1 3.35Å; G66-T69 PolarHBondContact O-N 2.81Å; G66-T69 PolarHBondContact O-OG1 3.48Å; G66-T69 VanDerWaalsContact O-OG1 3.13Å; G66-C78 PolarHBondContact N-SG 2.96Å; G66-L91 CarbonylContact C-O 3.53Å; G66-L91 WeakPolarHBondContact CA-O 3.48Å
67V91Very high93.2Very high75 Ų7556 Ų5646%0.45534%0.335SS..THydrogen-bonded Turntrans-63.1-32.7-177178.10000112.4L91 L92V67-L91 HydrophobicContact CG2-CB 4.28Å; V67-L91 PolarHBondContact N-O 3.43Å; V67-L92 HydrophobicContact CB-CD2 4.18Å; V67-L92 HydrophobicContact CG1-CD2 4.39Å; V67-L92 HydrophobicContact CG2-CD2 3.96Å; V67-L92 HydrophobicContact CG2-CG 4.47Å
68Y87.9Confident93.2Very high60 Ų6055.2 Ų55.224%0.23533%0.33CS..THydrogen-bonded Turntrans-11111-175.3-54.3-65.9000113.3G66 L92 S230 R233 R235G66-Y68 VanDerWaalsContact C-N 3.25Å; G66-Y68 PolarHBondContact O-N 3.43Å; Y68-L92 HydrophobicContact CE2-CD2 3.8Å; Y68-S230 WeakPolarHBondContact CE1-OG 3.4Å; Y68-S230 PolarHBondContact OH-OG 2.83Å; Y68-R233 WeakPolarHBondContact CD1-O 3.49Å; Y68-R235 HydrophobicContact CD2-CB 4.22Å; Y68-R235 HydrophobicContact CD2-CG 4.48Å; Y68-R235 HydrophobicContact CE1-CB 4.26Å; Y68-R235 HydrophobicContact CE2-CB 3.93Å; Y68-R235 HydrophobicContact CE2-CG 3.78Å
69T91.1Very high93.2Very high41 Ų4155.9 Ų55.925%0.25233%0.331SS..SBendtrans-100.4-178.4179.972.30000111.1P49 C65 G66P49-T69 WeakPolarHBondContact CB-O 3.31Å; P49-T69 WeakPolarHBondContact CG-O 3.02Å; C65-T69 VanDerWaalsContact CA-OG1 3.28Å; C65-T69 WeakPolarHBondContact CA-OG1 3.48Å; G66-T69 PolarHBondContact N-OG1 3.35Å; G66-T69 PolarHBondContact O-N 2.81Å; G66-T69 PolarHBondContact O-OG1 3.48Å; G66-T69 VanDerWaalsContact O-OG1 3.13Å
70G90.5Very high93.1Very high29 Ų2954.7 Ų54.730%0.29933%0.325SS..PPolyproline II helixtrans-52.7153.7167.700000113L59L59-G70 WeakPolarHBondContact CD1-O 3.19Å
71T92.9Very high92.8Very high39 Ų3957.7 Ų57.724%0.23933%0.326CS..PPolyproline II helixtrans-86.5136.9-179.532.70000110.1V46 K47 P49 A58 L59V46-T71 WeakPolarHBondContact CG2-OG1 2.98Å; K47-T71 PolarHBondContact O-OG1 3.41Å; P49-T71 HydrophobicContact CB-CG2 4.21Å; A58-T71 CarbonylContact C-O 3.46Å; A58-T71 VanDerWaalsContact CA-O 3.3Å; A58-T71 WeakPolarHBondContact CA-O 3.45Å; L59-T71 PolarHBondContact N-O 3.33Å
72C94.9Very high92.4Very high19 Ų1957 Ų5713%0.12833%0.326CS..BIsolated β-bridgetrans-66154.3177.4-56.70000111.5L76 C98C72-L76 HydrophobicContact CB-CB 3.91Å; C72-C98 VanDerWaalsContact CA-SG 3.58Å; C72-C98 HydrophobicContact CB-CB 3.77Å; C72-C98 WeakPolarHBondContact CB-SG 3.08Å; C72-C98 WeakPolarHBondContact SG-CA 3.15Å; C72-C98 WeakPolarHBondContact SG-CB 3.25Å; C72-C98 CovalentContact SG-SG 2.04Å; C72-C98 PolarHBondContact SG-SG 2.73Å
73T93.3Very high92Very high28 Ų2856.9 Ų56.917%0.17233%0.325CS..PPolyproline II helixtrans-63161.1175.3-163.90000112.5Q44 L59 G75 L76Q44-T73 PolarHBondContact NE2-OG1 2.98Å; Q44-T73 PolarHBondContact OE1-OG1 3.25Å; L59-T73 WeakPolarHBondContact O-CB 3.48Å; L59-T73 PolarHBondContact O-N 3.44Å; T73-G75 PolarHBondContact O-N 3.3Å; T73-L76 HydrophobicContact CG2-CB 4.5Å; T73-L76 HydrophobicContact CG2-CD1 3.61Å; T73-L76 HydrophobicContact CG2-CG 3.84Å; T73-L76 PolarHBondContact O-N 3.24Å
74H90.9Very high91.4Very high166 Ų16655.1 Ų55.177%0.76932%0.317SS*.THydrogen-bonded Turntrans-56.5134.2-177.8-178.1-89.7000111.3L76H74-L76 VanDerWaalsContact C-N 3.31Å
75G89.9Confident91Very high56 Ų5660.6 Ų60.658%0.57733%0.332SS*.THydrogen-bonded Turntrans87.3-9.1-176.600000114.7T73T73-G75 PolarHBondContact O-N 3.3Å
76L92.6Very high90.7Very high30 Ų3066.6 Ų66.616%0.15736%0.358CS..  trans-105.8151172.2-55.6-172.2000111.2E61 C72 T73 H74 C98E61-L76 VanDerWaalsContact CA-CD1 3.49Å; E61-L76 HydrophobicContact CB-CD1 3.68Å; E61-L76 HydrophobicContact CG-CD1 4.21Å; C72-L76 HydrophobicContact CB-CB 3.91Å; T73-L76 HydrophobicContact CG2-CB 4.5Å; T73-L76 HydrophobicContact CG2-CD1 3.61Å; T73-L76 HydrophobicContact CG2-CG 3.84Å; T73-L76 PolarHBondContact O-N 3.24Å; H74-L76 VanDerWaalsContact C-N 3.31Å; L76-C98 HydrophobicContact CB-CB 4.46Å; L76-C98 HydrophobicContact CD1-CB 4.06Å
77R93.5Very high90.5Very high127 Ų12767.4 Ų67.448%0.47936%0.361SS..EExtended strand (participates in β ladder)trans-120.7151.5169.6-69.9-165.9-179.7156.810.7110L79 C98 T99 E101R77-L79 HydrophobicContact CB-CD2 3.95Å; R77-L79 HydrophobicContact CB-CG 4.07Å; R77-L79 PolarHBondContact O-N 3.48Å; R77-C98 WeakPolarHBondContact O-CA 3.47Å; R77-T99 PolarHBondContact N-O 3.24Å; R77-T99 PolarHBondContact O-N 3.33Å; R77-T99 VanDerWaalsContact O-O 3.14Å; R77-E101 HydrophobicContact CG-CG 4.19Å; R77-E101 IonicContact CZ-OE1 2.66Å; R77-E101 IonicContact CZ-OE2 2.95Å; R77-E101 VanDerWaalsContact CZ-OE2 3.25Å; R77-E101 IonicContact NE-OE1 3.42Å; R77-E101 PolarHBondContact NE-OE1 3.3Å; R77-E101 IonicContact NH1-OE1 3.58Å; R77-E101 PolarHBondContact NH1-OE1 2.95Å; R77-E101 IonicContact NH1-OE2 2.71Å; R77-E101 PolarHBondContact NH1-OE2 3.15Å; R77-E101 VanDerWaalsContact NH2-CD 3.34Å; R77-E101 IonicContact NH2-OE1 3.13Å; R77-E101 PolarHBondContact NH2-OE1 2.71Å; R77-E101 IonicContact NH2-OE2 3.35Å; R77-E101 PolarHBondContact NH2-OE2 3.37Å
78C94.1Very high90.5Very high37 Ų3767.4 Ų67.425%0.2536%0.358CS..EExtended strand (participates in β ladder)trans-78.8104.2170.4-173.50000109.6C65 G66C65-C78 HydrophobicContact CB-CB 3.88Å; C65-C78 WeakPolarHBondContact CB-SG 2.77Å; C65-C78 PolarHBondContact O-SG 2.94Å; C65-C78 WeakPolarHBondContact SG-CA 3.43Å; C65-C78 WeakPolarHBondContact SG-CB 2.94Å; C65-C78 CovalentContact SG-SG 2.03Å; C65-C78 PolarHBondContact SG-SG 2.03Å; G66-C78 PolarHBondContact N-SG 2.96Å
79L93.6Very high90.5Very high29 Ų2968.6 Ų68.615%0.15237%0.366CS..EExtended strand (participates in β ladder)trans-113.5148.4-176.3-58.3-178.5000111.2R77 G96 V97 T99 Y104R77-L79 HydrophobicContact CB-CD2 3.95Å; R77-L79 HydrophobicContact CB-CG 4.07Å; R77-L79 PolarHBondContact O-N 3.48Å; L79-G96 CarbonylContact O-C 3.47Å; L79-G96 WeakPolarHBondContact O-CA 3.4Å; L79-V97 PolarHBondContact N-O 2.91Å; L79-V97 PolarHBondContact O-N 2.86Å; L79-T99 HydrophobicContact CB-CG2 3.88Å; L79-T99 HydrophobicContact CD1-CG2 3.77Å; L79-T99 HydrophobicContact CG-CG2 4.05Å; L79-Y104 HydrophobicContact CB-CD2 4.41Å; L79-Y104 HydrophobicContact CD1-CG 4.39Å
80P93.4Very high90.5Very high9 Ų966.6 Ų66.66%0.05835%0.354CS..PPolyproline II helixtrans-60.6152.2171.4-14.727.5000110.8P87 L91 Y104 L138P80-P87 HydrophobicContact CB-CB 3.71Å; P80-P87 HydrophobicContact CG-CB 3.58Å; P80-L91 HydrophobicContact CG-CD1 3.89Å; P80-L91 HydrophobicContact CG-CD2 4.29Å; P80-L91 HydrophobicContact CG-CG 3.95Å; P80-Y104 HydrophobicContact CB-CE2 4.23Å; P80-Y104 HydrophobicContact CG-CE2 4.23Å; P80-L138 HydrophobicContact CG-CD1 4.21Å; P80-L138 HydrophobicContact CG-CD2 4.17Å
81R90.4Very high90.6Very high132 Ų13266.4 Ų66.450%0.49835%0.346SS..PPolyproline II helixtrans-67.1149.6172-66.2175.8-179.1-98.9-1.5110.5G83 E84 R95 V97R81-G83 PolarHBondContact O-N 3.23Å; R81-E84 HydrophobicContact CB-CG 4.08Å; R81-E84 WeakPolarHBondContact O-CG 3.48Å; R81-E84 PolarHBondContact O-N 3.03Å; R81-R95 PolarHBondContact NE-O 3.44Å; R81-V97 HydrophobicContact CG-CG2 3.98Å; R81-V97 VanDerWaalsContact CZ-CG2 3.45Å
82N85.8Confident90.4Very high111 Ų11167.3 Ų67.359%0.59435%0.349SS*.THydrogen-bonded Turntrans-61.6134173.8-66.1-29.6000109.5
83G83.8Confident90.2Very high47 Ų4770.2 Ų70.249%0.48536%0.36SS..THydrogen-bonded Turntrans91.3-3.3-178.300000115.7R81 E85 L107R81-G83 PolarHBondContact O-N 3.23Å; G83-E85 PolarHBondContact O-N 2.96Å; G83-L107 VanDerWaalsContact N-CD1 3.33Å
84E85.6Confident90.1Very high51 Ų5169.8 Ų69.824%0.23836%0.362CS..  trans-66.7118.5177.1-78.8-84.8-172.300111.5R81 K86 P87 A90 R95R81-E84 HydrophobicContact CB-CG 4.08Å; R81-E84 WeakPolarHBondContact O-CG 3.48Å; R81-E84 PolarHBondContact O-N 3.03Å; E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.37Å; E84-P87 HydrophobicContact CB-CG 4.45Å; E84-P87 WeakPolarHBondContact O-CD 3.48Å; E84-P87 VanDerWaalsContact O-CG 3.3Å; E84-P87 WeakPolarHBondContact O-CG 3.26Å; E84-A90 HydrophobicContact CG-CB 4.07Å; E84-R95 IonicContact OE1-NE 3.37Å; E84-R95 PolarHBondContact OE1-NE 3.11Å; E84-R95 IonicContact OE1-NH2 3.9Å; E84-R95 IonicContact OE2-NH2 3.37Å; E84-R95 PolarHBondContact OE2-NH2 3.26Å
85E87.2Confident90.3Very high175 Ų17566.5 Ų66.582%0.81834%0.342SS*.SBendtrans-66.5-31.3177.6-63.2-172.8167.600113G83 P87G83-E85 PolarHBondContact O-N 2.96Å; E85-P87 VanDerWaalsContact C-CD 3.46Å; E85-P87 WeakPolarHBondContact O-CD 3.05Å
86K88.1Confident90.5Very high126 Ų12663.8 Ų63.855%0.54832%0.315SS..SBendtrans-124.471.1-179.8-63.4177.9-174.7168.10110.4E84 L88 H89 A90E84-K86 VanDerWaalsContact C-N 3.29Å; E84-K86 PolarHBondContact O-N 3.37Å; K86-L88 PolarHBondContact O-N 3.2Å; K86-H89 HydrophobicContact CB-CB 3.79Å; K86-H89 WeakPolarHBondContact O-CA 3.05Å; K86-H89 WeakPolarHBondContact O-CB 3.19Å; K86-H89 PolarHBondContact O-N 2.89Å; K86-A90 PolarHBondContact O-N 2.04Å
87P90.6Very high90.7Very high28 Ų2863.4 Ų63.418%0.18231%0.314CS..Hα-helixtrans-59.6-40.4-170.2-26.134.7000114.7P80 E84 E85 H89 A90 L91 L138P80-P87 HydrophobicContact CB-CB 3.71Å; P80-P87 HydrophobicContact CG-CB 3.58Å; E84-P87 HydrophobicContact CB-CG 4.45Å; E84-P87 WeakPolarHBondContact O-CD 3.48Å; E84-P87 VanDerWaalsContact O-CG 3.3Å; E84-P87 WeakPolarHBondContact O-CG 3.26Å; E85-P87 VanDerWaalsContact C-CD 3.46Å; E85-P87 WeakPolarHBondContact O-CD 3.05Å; P87-H89 VanDerWaalsContact C-N 3.31Å; P87-H89 PolarHBondContact O-N 3.25Å; P87-A90 WeakPolarHBondContact O-CB 3.03Å; P87-A90 PolarHBondContact O-N 2.03Å; P87-L91 PolarHBondContact O-N 2.87Å; P87-L91 VanDerWaalsContact O-N 3.11Å; P87-L138 HydrophobicContact CB-CD1 3.52Å; P87-L138 HydrophobicContact CB-CD2 3.87Å; P87-L138 HydrophobicContact CB-CG 4.06Å; P87-L138 HydrophobicContact CG-CD1 3.9Å
88L90.2Very high90.8Very high76 Ų7657.4 Ų57.440%0.39829%0.291SS..Hα-helixtrans-64.5-38176.3-71.1174.3000111.8K86 A90 L91 L92 V136 L138K86-L88 PolarHBondContact O-N 3.2Å; L88-A90 VanDerWaalsContact C-N 3.35Å; L88-L91 PolarHBondContact O-N 2.88Å; L88-L92 WeakPolarHBondContact O-CG 3Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-L92 VanDerWaalsContact O-N 3.09Å; L88-V136 HydrophobicContact CD1-CB 3.76Å; L88-V136 HydrophobicContact CD1-CG1 4.25Å; L88-V136 WeakPolarHBondContact CD1-O 3.46Å; L88-L138 HydrophobicContact CD2-CD2 3.46Å; L88-L138 VanDerWaalsContact CD2-CD2 3.46Å; L88-L138 HydrophobicContact CG-CD2 3.72Å
89H87.9Confident90.7Very high84 Ų8457.2 Ų57.239%0.38929%0.289SS..Hα-helixtrans-67.9-39176.6-164.179.8000110.7K86 P87 L91 L92 H93K86-H89 HydrophobicContact CB-CB 3.79Å; K86-H89 WeakPolarHBondContact O-CA 3.05Å; K86-H89 WeakPolarHBondContact O-CB 3.19Å; K86-H89 PolarHBondContact O-N 2.89Å; P87-H89 VanDerWaalsContact C-N 3.31Å; P87-H89 PolarHBondContact O-N 3.25Å; H89-L91 PolarHBondContact O-N 3.49Å; H89-L92 PolarHBondContact O-N 2.81Å; H89-H93 AromaticContact CD2-CD2 3.82Å; H89-H93 AromaticContact CE1-CD2 3.77Å; H89-H93 AromaticContact CE1-NE2 3.4Å; H89-H93 PolarHBondContact CE1-NE2 2.86Å; H89-H93 AromaticContact NE2-CD2 3.57Å; H89-H93 AromaticContact NE2-NE2 3.43Å; H89-H93 PolarHBondContact NE2-NE2 2.04Å; H89-H93 PolarHBondContact O-CD2 3.48Å; H89-H93 PolarHBondContact O-N 3.37Å
90A90.9Very high90.5Very high0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-57.8-46174.300000112.2E84 K86 P87 L88 L92 H93 G94 R95E84-A90 HydrophobicContact CG-CB 4.07Å; K86-A90 PolarHBondContact O-N 2.04Å; P87-A90 WeakPolarHBondContact O-CB 3.03Å; P87-A90 PolarHBondContact O-N 2.03Å; L88-A90 VanDerWaalsContact C-N 3.35Å; A90-L92 PolarHBondContact O-N 3.21Å; A90-H93 CarbonylContact O-C 3.55Å; A90-H93 PolarHBondContact O-N 3.37Å; A90-H93 VanDerWaalsContact O-N 3.15Å; A90-G94 PolarHBondContact O-N 3.43Å; A90-R95 HydrophobicContact CB-CB 4.17Å; A90-R95 PolarHBondContact O-N 3.09Å
91L92.3Very high89.6Confident24 Ų2463.6 Ų63.613%0.12632%0.319CS..Hα-helixtrans-64.4-38.4176.6-67.5175.1000113G66 V67 P80 P87 L88 H89 H93 G94G66-L91 CarbonylContact C-O 3.53Å; G66-L91 WeakPolarHBondContact CA-O 3.48Å; V67-L91 HydrophobicContact CG2-CB 4.28Å; V67-L91 PolarHBondContact N-O 3.43Å; P80-L91 HydrophobicContact CG-CD1 3.89Å; P80-L91 HydrophobicContact CG-CD2 4.29Å; P80-L91 HydrophobicContact CG-CG 3.95Å; P87-L91 PolarHBondContact O-N 2.87Å; P87-L91 VanDerWaalsContact O-N 3.11Å; L88-L91 PolarHBondContact O-N 2.88Å; H89-L91 PolarHBondContact O-N 3.49Å; L91-H93 PolarHBondContact O-N 3.45Å; L91-G94 PolarHBondContact O-N 3.49Å
92L89.4Confident88.7Confident59 Ų5966.7 Ų66.731%0.30934%0.336SS..Hα-helixtrans-64.6-22.2175.8-73.8169.6000113V67 Y68 L88 H89 A90 R235V67-L92 HydrophobicContact CB-CD2 4.18Å; V67-L92 HydrophobicContact CG1-CD2 4.39Å; V67-L92 HydrophobicContact CG2-CD2 3.96Å; V67-L92 HydrophobicContact CG2-CG 4.47Å; Y68-L92 HydrophobicContact CE2-CD2 3.8Å; L88-L92 WeakPolarHBondContact O-CG 3Å; L88-L92 PolarHBondContact O-N 3.4Å; L88-L92 VanDerWaalsContact O-N 3.09Å; H89-L92 PolarHBondContact O-N 2.81Å; A90-L92 PolarHBondContact O-N 3.21Å; L92-R235 PolarHBondContact O-NH1 3.2Å
93H89.9Confident87.4Confident79 Ų7963.1 Ų63.137%0.36633%0.325SS..THydrogen-bonded Turntrans-105.313179.8-74.6-96.9000113.1H89 A90 L91 R95 R235H89-H93 AromaticContact CD2-CD2 3.82Å; H89-H93 AromaticContact CE1-CD2 3.77Å; H89-H93 AromaticContact CE1-NE2 3.4Å; H89-H93 PolarHBondContact CE1-NE2 2.86Å; H89-H93 AromaticContact NE2-CD2 3.57Å; H89-H93 AromaticContact NE2-NE2 3.43Å; H89-H93 PolarHBondContact NE2-NE2 2.04Å; H89-H93 PolarHBondContact O-CD2 3.48Å; H89-H93 PolarHBondContact O-N 3.37Å; A90-H93 CarbonylContact O-C 3.55Å; A90-H93 PolarHBondContact O-N 3.37Å; A90-H93 VanDerWaalsContact O-N 3.15Å; L91-H93 PolarHBondContact O-N 3.45Å; H93-R95 VanDerWaalsContact C-N 3.27Å; H93-R95 PolarHBondContact O-N 3.33Å; H93-R235 PolarHBondContact NE2-NH1 3.25Å
94G92.8Very high86.5Confident20 Ų2063.4 Ų63.421%0.20631%0.312CS..THydrogen-bonded Turntrans72.316.6175.400000114.8C65 A90 L91 G96C65-G94 CarbonylContact O-C 3.45Å; C65-G94 VanDerWaalsContact O-CA 3.31Å; C65-G94 WeakPolarHBondContact O-CA 3.39Å; A90-G94 PolarHBondContact O-N 3.43Å; L91-G94 PolarHBondContact O-N 3.49Å; G94-G96 VanDerWaalsContact C-N 3.35Å
95R94.4Very high85.5Confident96 Ų9669.1 Ų69.136%0.36234%0.336SS..  trans-89.81.7-179.6-60-160.5-55-91.53.9114.2R81 E84 A90 H93R81-R95 PolarHBondContact NE-O 3.44Å; E84-R95 IonicContact OE1-NE 3.37Å; E84-R95 PolarHBondContact OE1-NE 3.11Å; E84-R95 IonicContact OE1-NH2 3.9Å; E84-R95 IonicContact OE2-NH2 3.37Å; E84-R95 PolarHBondContact OE2-NH2 3.26Å; A90-R95 HydrophobicContact CB-CB 4.17Å; A90-R95 PolarHBondContact O-N 3.09Å; H93-R95 VanDerWaalsContact C-N 3.27Å; H93-R95 PolarHBondContact O-N 3.33Å
96G94.4Very high84.3Confident0 Ų064.5 Ų64.50%032%0.321CS..EExtended strand (participates in β ladder)trans-67.9173.7171.100000111.9A64 C65 L79 G94A64-G96 CarbonylContact C-O 3.43Å; A64-G96 VanDerWaalsContact CA-O 3.29Å; A64-G96 WeakPolarHBondContact CA-O 3.42Å; C65-G96 PolarHBondContact N-O 3.26Å; C65-G96 CarbonylContact O-C 3.56Å; C65-G96 WeakPolarHBondContact O-CA 2.98Å; C65-G96 PolarHBondContact O-N 3.26Å; L79-G96 CarbonylContact O-C 3.47Å; L79-G96 WeakPolarHBondContact O-CA 3.4Å; G94-G96 VanDerWaalsContact C-N 3.35Å
97V95.6Very high82.8Confident22 Ų2264.3 Ų64.313%0.13333%0.326CS..EExtended strand (participates in β ladder)trans-133.9138.8176.9172.40000109.6Q63 C65 L79 R81 T99Q63-V97 WeakPolarHBondContact O-CA 3.03Å; C65-V97 PolarHBondContact SG-N 3.45Å; C65-V97 VanDerWaalsContact SG-N 3.35Å; L79-V97 PolarHBondContact N-O 2.91Å; L79-V97 PolarHBondContact O-N 2.86Å; R81-V97 HydrophobicContact CG-CG2 3.98Å; R81-V97 VanDerWaalsContact CZ-CG2 3.45Å; V97-T99 PolarHBondContact O-N 3.19Å
98C95.6Very high81Confident0 Ų069.9 Ų69.90%035%0.349CS..EExtended strand (participates in β ladder)trans-71109.3170.8-67.90000109.6L59 S60 E61 G62 Q63 C65 C72 L76 R77L59-C98 VanDerWaalsContact CB-SG 3.51Å; S60-C98 WeakPolarHBondContact O-CB 3.05Å; E61-C98 WeakPolarHBondContact CA-O 3.3Å; G62-C98 PolarHBondContact N-O 3.34Å; Q63-C98 PolarHBondContact O-N 3.25Å; C65-C98 PolarHBondContact SG-N 3.22Å; C72-C98 VanDerWaalsContact CA-SG 3.58Å; C72-C98 HydrophobicContact CB-CB 3.77Å; C72-C98 WeakPolarHBondContact CB-SG 3.08Å; C72-C98 WeakPolarHBondContact SG-CA 3.15Å; C72-C98 WeakPolarHBondContact SG-CB 3.25Å; C72-C98 CovalentContact SG-SG 2.04Å; C72-C98 PolarHBondContact SG-SG 2.73Å; L76-C98 HydrophobicContact CB-CB 4.46Å; L76-C98 HydrophobicContact CD1-CB 4.06Å; R77-C98 WeakPolarHBondContact O-CA 3.47Å
99T93.4Very high79Confident34 Ų3471.1 Ų71.121%0.20936%0.362CS..EExtended strand (participates in β ladder)trans-145.8163.5-178.5-178.70000110.2R77 L79 V97R77-T99 PolarHBondContact N-O 3.24Å; R77-T99 PolarHBondContact O-N 3.33Å; R77-T99 VanDerWaalsContact O-O 3.14Å; L79-T99 HydrophobicContact CB-CG2 3.88Å; L79-T99 HydrophobicContact CD1-CG2 3.77Å; L79-T99 HydrophobicContact CG-CG2 4.05Å; V97-T99 PolarHBondContact O-N 3.19Å
100N88.5Confident76.8Confident66 Ų6671.4 Ų71.435%0.35337%0.371SS..  trans-67.8155.3171.868.133.6000111.5K102 G103N100-K102 PolarHBondContact O-N 3.31Å; N100-K102 PolarHBondContact OD1-N 2.91Å; N100-G103 PolarHBondContact O-N 2.98Å; N100-G103 PolarHBondContact OD1-N 3.37Å
101E74.8Confident74.7Confident105 Ų10577.9 Ų77.949%0.49140%0.404SS..G310 helixtrans-63.6-25.4-179.5-69.4178.8-133.900113.3R77 G103R77-E101 HydrophobicContact CG-CG 4.19Å; R77-E101 IonicContact CZ-OE1 2.66Å; R77-E101 IonicContact CZ-OE2 2.95Å; R77-E101 VanDerWaalsContact CZ-OE2 3.25Å; R77-E101 IonicContact NE-OE1 3.42Å; R77-E101 PolarHBondContact NE-OE1 3.3Å; R77-E101 IonicContact NH1-OE1 3.58Å; R77-E101 PolarHBondContact NH1-OE1 2.95Å; R77-E101 IonicContact NH1-OE2 2.71Å; R77-E101 PolarHBondContact NH1-OE2 3.15Å; R77-E101 VanDerWaalsContact NH2-CD 3.34Å; R77-E101 IonicContact NH2-OE1 3.13Å; R77-E101 PolarHBondContact NH2-OE1 2.71Å; R77-E101 IonicContact NH2-OE2 3.35Å; R77-E101 PolarHBondContact NH2-OE2 3.37Å; E101-G103 PolarHBondContact O-N 2.85Å
102K70.9Confident72.3Confident198 Ų19883.4 Ų83.486%0.86143%0.434SS*.G310 helixtrans-70.9-16.9179.6-62.7-178.3-178.8179.10112.8N100N100-K102 PolarHBondContact O-N 3.31Å; N100-K102 PolarHBondContact OD1-N 2.91Å
103G59.4Low70Confident35 Ų3588.6 Ų88.636%0.36146%0.456SS..G310 helixtrans-83.1-12.1-178.900000115.4N100 E101N100-G103 PolarHBondContact O-N 2.98Å; N100-G103 PolarHBondContact OD1-N 3.37Å; E101-G103 PolarHBondContact O-N 2.85Å
104Y65.1Low67.8Low54 Ų5493.4 Ų93.421%0.21248%0.479CS..  trans-99111.5-176.3-174.3-101.3000112.2L79 P80 P106 L138L79-Y104 HydrophobicContact CB-CD2 4.41Å; L79-Y104 HydrophobicContact CD1-CG 4.39Å; P80-Y104 HydrophobicContact CB-CE2 4.23Å; P80-Y104 HydrophobicContact CG-CE2 4.23Å; Y104-P106 HydrophobicContact CD1-CG 4.34Å; Y104-P106 HydrophobicContact CE1-CB 4.26Å; Y104-P106 HydrophobicContact CE1-CG 3.81Å; Y104-L138 HydrophobicContact CE1-CD1 4Å; Y104-L138 WeakPolarHBondContact OH-CD1 3.5Å
105K64.3Low65.5Low170 Ų17097 Ų9774%0.73950%0.501SS*.  trans-110.9112.6168.5-73.6-176.8-178.7179.90108.7L107K105-L107 PolarHBondContact O-N 3.48Å
106P62Low62.9Low78 Ų78100.3 Ų100.351%0.50653%0.525SS..  trans-57.4135.2173.7-13.222.3000110Y104 H108Y104-P106 HydrophobicContact CD1-CG 4.34Å; Y104-P106 HydrophobicContact CE1-CB 4.26Å; Y104-P106 HydrophobicContact CE1-CG 3.81Å; P106-H108 PolarHBondContact O-N 2.63Å
107L56.1Low60Low122 Ų122109 Ų10964%0.63957%0.566SS**SBendtrans-62.5-23.6178.2-117.287.9000113G83 K105G83-L107 VanDerWaalsContact N-CD1 3.33Å; K105-L107 PolarHBondContact O-N 3.48Å
108H53.8Low57.2Low145 Ų145116 Ų11667%0.67160%0.596SS**SBendtrans-130.8122178.1-70.9-12.4000110.6P106P106-H108 PolarHBondContact O-N 2.63Å
109P47.5Very low54.2Low103 Ų103123.9 Ų123.967%0.66963%0.633SS**  trans-53.4148.3155.5-16.729.2000108.9I111P109-I111 PolarHBondContact O-N 2.9Å
110P42.4Very low51.4Low90 Ų90128.8 Ų128.858%0.58466%0.658SS**  trans-52.8120.6166.3-1729000107.7D112P110-D112 PolarHBondContact O-N 3.24Å; P110-D112 VanDerWaalsContact O-N 3.12Å
111I45.7Very low48.8Very low136 Ų136131.6 Ų131.670%0.69768%0.678SS**  trans-69.1110.7170.7-62.3174.3000105.5P109 H113P109-I111 PolarHBondContact O-N 2.9Å; I111-H113 HydrophobicContact CG2-CB 4.38Å; I111-H113 PolarHBondContact O-N 3.47Å
112D41.7Very low47Very low140 Ų140133.6 Ų133.675%0.74969%0.691SS**  trans-72.579171.7-53.6-37.7000107.7P110 E114P110-D112 PolarHBondContact O-N 3.24Å; P110-D112 VanDerWaalsContact O-N 3.12Å; D112-E114 PolarHBondContact O-N 2.99Å; D112-E114 VanDerWaalsContact O-N 3.14Å
113H41.9Very low45.3Very low167 Ų167129.6 Ų129.677%0.77368%0.684SS**  trans-86.971.6171.5-124.8-70.9000109I111I111-H113 HydrophobicContact CG2-CB 4.38Å; I111-H113 PolarHBondContact O-N 3.47Å
114E43.6Very low43.9Very low180 Ų180134.1 Ų134.184%0.84170%0.704SS**  trans-108.198.3159-162.2175.7-176.100105.9D112D112-E114 PolarHBondContact O-N 2.99Å; D112-E114 VanDerWaalsContact O-N 3.14Å
115S44.6Very low42.7Very low95 Ų95140.4 Ų140.466%0.66474%0.736SS**  trans152.6106.8157.7-69.50000109.4
116L38.8Very low41.2Very low167 Ų167139.8 Ų139.887%0.87474%0.739SS**  trans154.479.6140.7-81.5161.9000108.7
117E34.7Very low39.6Very low183 Ų183142.1 Ų142.186%0.85575%0.752SS**  trans-91.3147.8149.6-67.4-175.115700107.6
118H37.2Very low38.8Very low167 Ų167146 Ų14677%0.77377%0.766SS**  trans84.9121.5-174.3-7865.1000115
119E32.3Very low37.8Very low166 Ų166146.1 Ų146.178%0.77677%0.772SS**  cis-149.1162.739.2-105.8-96.2119.500112.6
120D34.4Very low37.1Very low137 Ų137149.3 Ų149.373%0.73378%0.778SS**  trans-66.9163.5-173.2-82-44.9000116.6
121T32.9Very low36.6Very low125 Ų125151.5 Ų151.577%0.76778%0.784SS**  trans114.7119.2138.2-23.60000118.9
122L37.8Very low35.8Very low147 Ų147150.5 Ų150.577%0.7778%0.777SS**  trans75.4111.2152.9-120.770.2000121.7
123T35.3Very low35.4Very low115 Ų115147.9 Ų147.971%0.70677%0.768SS**  trans50.9120.313853.90000118.9
124T29.1Very low35.1Very low129 Ų129144.5 Ų144.579%0.79177%0.768SS**  -175.7141.4106.2-55.50000108.4
125E39.4Very low34.8Very low187 Ų187143.7 Ų143.787%0.87476%0.762SS**  trans-54.2128.6177-56.3179.9154.400112.8
126I32.8Very low34.6Very low156 Ų156143.4 Ų143.480%0.876%0.756SS**  trans-142.5114.4159.9-50.1178.3000109.4
127T28.6Very low34.9Very low127 Ų127138.9 Ų138.978%0.77974%0.737SS**  trans-2.1132.516431.30000120.8D129T127-D129 PolarHBondContact O-N 3.26Å
128E40.7Very low35.5Very low203 Ų203133.1 Ų133.195%0.94971%0.712SS**SBendtrans-55.784.3159.7-70178.1117.600112.2
129D33.3Very low36.2Very low148 Ų148132 Ų13279%0.79171%0.711SS**  trans-160.680153.9-152.412.9000112.5T127T127-D129 PolarHBondContact O-N 3.26Å
130Q31.1Very low36.9Very low170 Ų170126.7 Ų126.779%0.79469%0.69SS**  trans-169.370.4154.7-110.7178.87.700110.9Q132Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 2.95Å
131L31.7Very low37.8Very low137 Ų137126.8 Ų126.872%0.71768%0.684SS**  trans-74.787.6168.2-173.266000109.2P133L131-P133 VanDerWaalsContact O-CD 3.23Å; L131-P133 WeakPolarHBondContact O-CD 3.09Å
132Q29.1Very low38.9Very low114 Ų114128.2 Ų128.253%0.53368%0.682SS.*  trans-64.1119.5168.4-66.2-16132.600109.2Q130Q130-Q132 VanDerWaalsContact C-N 3.33Å; Q130-Q132 PolarHBondContact O-N 2.95Å
133P34.1Very low39.8Very low86 Ų86127.3 Ų127.356%0.55868%0.678SS**  trans-64.8140.8169.526-30.1000108.5L131 K135L131-P133 VanDerWaalsContact O-CD 3.23Å; L131-P133 WeakPolarHBondContact O-CD 3.09Å; P133-K135 PolarHBondContact O-N 3.41Å
134A34.7Very low41.1Very low95 Ų95125.9 Ų125.979%0.78567%0.666SS**  trans-52.1107.5177.800000110.1V136A134-V136 PolarHBondContact O-N 2.99Å; A134-V136 VanDerWaalsContact O-N 3.07Å
135K37.3Very low42.6Very low163 Ų163124.2 Ų124.271%0.70965%0.651SS**  trans-71.1100.6174.5-75.9168-179.8166.80107.4P133 P137P133-K135 PolarHBondContact O-N 3.41Å; K135-P137 WeakPolarHBondContact O-CD 3.36Å
136V40.3Very low43.8Very low90 Ų90119.3 Ų119.355%0.54563%0.631SS.*  trans-77.9120.6169.1179.10000107L88 A134 L138L88-V136 HydrophobicContact CD1-CB 3.76Å; L88-V136 HydrophobicContact CD1-CG1 4.25Å; L88-V136 WeakPolarHBondContact CD1-O 3.46Å; A134-V136 PolarHBondContact O-N 2.99Å; A134-V136 VanDerWaalsContact O-N 3.07Å; V136-L138 PolarHBondContact O-N 2.87Å
137P45.2Very low45.8Very low72 Ų72114 Ų11447%0.46861%0.608SS.*  trans-58.8134.2176.8-23.834.2000110.8K135 L139K135-P137 WeakPolarHBondContact O-CD 3.36Å; P137-L139 PolarHBondContact O-N 2.79Å; P137-L139 VanDerWaalsContact O-N 3.16Å
138L48.4Very low48.1Very low62 Ų62114.2 Ų114.233%0.32560%0.598SS.*SBendtrans-61.1-20.7176.4-71.6163.9000113.5P80 P87 L88 Y104 V136P80-L138 HydrophobicContact CG-CD1 4.21Å; P80-L138 HydrophobicContact CG-CD2 4.17Å; P87-L138 HydrophobicContact CB-CD1 3.52Å; P87-L138 HydrophobicContact CB-CD2 3.87Å; P87-L138 HydrophobicContact CB-CG 4.06Å; P87-L138 HydrophobicContact CG-CD1 3.9Å; L88-L138 HydrophobicContact CD2-CD2 3.46Å; L88-L138 VanDerWaalsContact CD2-CD2 3.46Å; L88-L138 HydrophobicContact CG-CD2 3.72Å; Y104-L138 HydrophobicContact CE1-CD1 4Å; Y104-L138 WeakPolarHBondContact OH-CD1 3.5Å; V136-L138 PolarHBondContact O-N 2.87Å
139L51Low49.7Very low144 Ų144110.6 Ų110.675%0.75458%0.579SS**SBendtrans-134.797.7168.1-159.578000106.6P137 K141P137-L139 PolarHBondContact O-N 2.79Å; P137-L139 VanDerWaalsContact O-N 3.16Å; L139-K141 PolarHBondContact O-N 2.91Å
140P47.3Very low51.7Low54 Ų54107 Ų10735%0.35156%0.559SS.*  trans-65.4121.5172.7-10.924.4000107.9Q142 I145P140-Q142 PolarHBondContact O-N 3.16Å; P140-Q142 VanDerWaalsContact O-N 3.08Å; P140-I145 HydrophobicContact CB-CD1 3.23Å; P140-I145 HydrophobicContact CB-CG1 3.8Å; P140-I145 HydrophobicContact CG-CD1 3.85Å
141K54.5Low54.1Low139 Ų139105 Ų10560%0.60455%0.55SS*.  trans-59118.3163.1-69.9-175.4-179.2175.90106.2L139 D143 L144 I145L139-K141 PolarHBondContact O-N 2.91Å; K141-D143 PolarHBondContact O-N 2.99Å; K141-L144 HydrophobicContact CB-CB 4.37Å; K141-L144 PolarHBondContact O-N 3.25Å; K141-I145 PolarHBondContact O-N 2.66Å
142Q54.5Low56.2Low154 Ų154101.5 Ų101.572%0.7254%0.54SS*.Hα-helixtrans-49.8-36-177.8-16477.85.500110.7P140 L144 I145 N146P140-Q142 PolarHBondContact O-N 3.16Å; P140-Q142 VanDerWaalsContact O-N 3.08Å; Q142-L144 PolarHBondContact O-N 3.12Å; Q142-I145 PolarHBondContact O-N 3.2Å; Q142-N146 WeakPolarHBondContact O-CB 3.31Å; Q142-N146 PolarHBondContact O-N 3.15Å
143D58.2Low58.5Low128 Ų128101.9 Ų101.968%0.68454%0.543SS*.Hα-helixtrans-65.2-36.3179.1-55.7-42.8000114K141 N146 S147K141-D143 PolarHBondContact O-N 2.99Å; D143-N146 PolarHBondContact O-N 3.41Å; D143-S147 WeakPolarHBondContact O-CB 3.29Å; D143-S147 PolarHBondContact O-N 2.88Å; D143-S147 PolarHBondContact O-OG 2.85Å
144L62Low60.8Low85 Ų85105.7 Ų105.745%0.44555%0.547SS..Hα-helixtrans-74.7-36179.6-17566.4000111.9K141 Q142 N146 S147 K148K141-L144 HydrophobicContact CB-CB 4.37Å; K141-L144 PolarHBondContact O-N 3.25Å; Q142-L144 PolarHBondContact O-N 3.12Å; L144-N146 VanDerWaalsContact C-N 3.34Å; L144-S147 PolarHBondContact O-OG 3.47Å; L144-S147 VanDerWaalsContact O-OG 3.07Å; L144-K148 WeakPolarHBondContact O-CG 3.06Å; L144-K148 PolarHBondContact O-N 2.81Å
145I59.6Low63.1Low94 Ų94109.2 Ų109.248%0.48254%0.544SS..Hα-helixtrans-66.3-43171.5-67.7-173.7000109.4P140 K141 Q142 K149P140-I145 HydrophobicContact CB-CD1 3.23Å; P140-I145 HydrophobicContact CB-CG1 3.8Å; P140-I145 HydrophobicContact CG-CD1 3.85Å; K141-I145 PolarHBondContact O-N 2.66Å; Q142-I145 PolarHBondContact O-N 3.2Å; I145-K149 VanDerWaalsContact O-CB 3.29Å; I145-K149 WeakPolarHBondContact O-CB 3.46Å; I145-K149 PolarHBondContact O-N 2.77Å
146N65.6Low65.1Low84 Ų84103.3 Ų103.345%0.44952%0.521SS..Hα-helixtrans-66.4-40.1-178.7-149.122.8000111.4Q142 D143 L144 K149 I150Q142-N146 WeakPolarHBondContact O-CB 3.31Å; Q142-N146 PolarHBondContact O-N 3.15Å; D143-N146 PolarHBondContact O-N 3.41Å; L144-N146 VanDerWaalsContact C-N 3.34Å; N146-K149 PolarHBondContact O-N 2.81Å; N146-I150 WeakPolarHBondContact O-CB 3.42Å; N146-I150 WeakPolarHBondContact O-CD1 3.26Å; N146-I150 WeakPolarHBondContact O-CG1 3.31Å; N146-I150 PolarHBondContact O-N 3.37Å
147S74.4Confident67Low46 Ų46104.4 Ų104.432%0.32252%0.518SS..Hα-helixtrans-64.4-46.6177.773.80000112.5D143 L144 K149 I150 Q151D143-S147 WeakPolarHBondContact O-CB 3.29Å; D143-S147 PolarHBondContact O-N 2.88Å; D143-S147 PolarHBondContact O-OG 2.85Å; L144-S147 PolarHBondContact O-OG 3.47Å; L144-S147 VanDerWaalsContact O-OG 3.07Å; S147-K149 VanDerWaalsContact C-N 3.33Å; S147-K149 PolarHBondContact O-N 3.44Å; S147-I150 PolarHBondContact O-N 3.48Å; S147-Q151 WeakPolarHBondContact O-CG 3.3Å; S147-Q151 PolarHBondContact O-N 3.16Å
148K76.4Confident68.7Low131 Ų131105.3 Ų105.357%0.5752%0.519SS*.Hα-helixtrans-63.9-38.3176.4-71.4-176179.2-1760112L144 Q151 A152L144-K148 WeakPolarHBondContact O-CG 3.06Å; L144-K148 PolarHBondContact O-N 2.81Å; K148-Q151 PolarHBondContact O-N 3.06Å; K148-A152 WeakPolarHBondContact O-CB 3.39Å; K148-A152 PolarHBondContact O-N 3.11Å
149K74.3Confident70.1Confident126 Ų126109.1 Ų109.155%0.54853%0.529SS..Hα-helixtrans-62-45.3173.7-175.3-178.8177.7-177.10111.2I145 N146 S147 A152 M153I145-K149 VanDerWaalsContact O-CB 3.29Å; I145-K149 WeakPolarHBondContact O-CB 3.46Å; I145-K149 PolarHBondContact O-N 2.77Å; N146-K149 PolarHBondContact O-N 2.81Å; S147-K149 VanDerWaalsContact C-N 3.33Å; S147-K149 PolarHBondContact O-N 3.44Å; K149-A152 PolarHBondContact O-N 2.89Å; K149-M153 WeakPolarHBondContact O-CB 3.37Å; K149-M153 VanDerWaalsContact O-CG 3.24Å; K149-M153 WeakPolarHBondContact O-CG 3.47Å; K149-M153 PolarHBondContact O-N 3.07Å
150I75.1Confident71.4Confident74 Ų74107.8 Ų107.838%0.37952%0.517SS..Hα-helixtrans-62.6-44.6178.2-69.2162.4000110.9N146 S147 M153 R154N146-I150 WeakPolarHBondContact O-CB 3.42Å; N146-I150 WeakPolarHBondContact O-CD1 3.26Å; N146-I150 WeakPolarHBondContact O-CG1 3.31Å; N146-I150 PolarHBondContact O-N 3.37Å; S147-I150 PolarHBondContact O-N 3.48Å; I150-M153 PolarHBondContact O-N 3.15Å; I150-R154 WeakPolarHBondContact O-CG 3.39Å; I150-R154 PolarHBondContact O-N 3.34Å
151Q81.8Confident72.8Confident128 Ų128112 Ų11260%0.59853%0.526SS*.Hα-helixtrans-60.6-45.3176.8-73.5176.6-6.600112S147 K148 M153 R154 K155S147-Q151 WeakPolarHBondContact O-CG 3.3Å; S147-Q151 PolarHBondContact O-N 3.16Å; K148-Q151 PolarHBondContact O-N 3.06Å; Q151-M153 PolarHBondContact O-N 3.28Å; Q151-R154 PolarHBondContact O-N 3.45Å; Q151-K155 PolarHBondContact O-N 3.41Å; Q151-K155 VanDerWaalsContact O-N 3.07Å
152A76.6Confident73.7Confident62 Ų62108.3 Ų108.351%0.51252%0.521SS..Hα-helixtrans-62.7-41.1177.100000112.5K148 K149 K155 D156K148-A152 WeakPolarHBondContact O-CB 3.39Å; K148-A152 PolarHBondContact O-N 3.11Å; K149-A152 PolarHBondContact O-N 2.89Å; A152-K155 PolarHBondContact O-N 3.08Å; A152-D156 PolarHBondContact O-N 3.2Å
153M77.5Confident74.4Confident122 Ų122106.5 Ų106.560%0.60151%0.513SS*.Hα-helixtrans-65.3-38.6176.8-71.1-64.6-65.400112.5K149 I150 Q151 D156 K157K149-M153 WeakPolarHBondContact O-CB 3.37Å; K149-M153 VanDerWaalsContact O-CG 3.24Å; K149-M153 WeakPolarHBondContact O-CG 3.47Å; K149-M153 PolarHBondContact O-N 3.07Å; I150-M153 PolarHBondContact O-N 3.15Å; Q151-M153 PolarHBondContact O-N 3.28Å; M153-D156 PolarHBondContact O-N 3.06Å; M153-K157 WeakPolarHBondContact O-CB 3.45Å; M153-K157 PolarHBondContact O-N 3.27Å
154R82.6Confident74.9Confident166 Ų166103.4 Ų103.463%0.62651%0.505SS*.Hα-helixtrans-62.2-48.7174.4-72.7176.5-176.2-179.31.4110.9I150 Q151 D156 K157 D158I150-R154 WeakPolarHBondContact O-CG 3.39Å; I150-R154 PolarHBondContact O-N 3.34Å; Q151-R154 PolarHBondContact O-N 3.45Å; R154-D156 VanDerWaalsContact C-N 3.33Å; R154-D156 PolarHBondContact O-N 3.21Å; R154-K157 WeakPolarHBondContact O-CB 3.41Å; R154-K157 PolarHBondContact O-N 2.88Å; R154-K157 VanDerWaalsContact O-N 3.12Å; R154-D158 PolarHBondContact O-N 3.41Å
155K83.1Confident75.2Confident170 Ų170107.1 Ų107.174%0.73952%0.518SS*.Hα-helixtrans-59-39.8177.8-169173.1-178.3172.10113Q151 A152 R159Q151-K155 PolarHBondContact O-N 3.41Å; Q151-K155 VanDerWaalsContact O-N 3.07Å; A152-K155 PolarHBondContact O-N 3.08Å; K155-R159 WeakPolarHBondContact O-CB 3.21Å; K155-R159 PolarHBondContact O-N 2.89Å
156D78.3Confident75.1Confident39 Ų39109.6 Ų109.621%0.20953%0.531CS..Hα-helixtrans-67.3-41.1175-175.564.7000112.6A152 M153 R154 D158 R159 K160A152-D156 PolarHBondContact O-N 3.2Å; M153-D156 PolarHBondContact O-N 3.06Å; R154-D156 VanDerWaalsContact C-N 3.33Å; R154-D156 PolarHBondContact O-N 3.21Å; D156-D158 VanDerWaalsContact C-N 3.34Å; D156-D158 PolarHBondContact O-N 2.87Å; D156-R159 PolarHBondContact O-N 3.14Å; D156-R159 IonicContact OD1-CZ 3.37Å; D156-R159 IonicContact OD1-NE 2.75Å; D156-R159 IonicContact OD1-NH2 2.75Å; D156-R159 PolarHBondContact OD1-NH2 2.76Å; D156-K160 WeakPolarHBondContact O-CG 3.44Å; D156-K160 PolarHBondContact O-N 2.87Å; D156-K160 VanDerWaalsContact OD2-CE 3.3Å; D156-K160 WeakPolarHBondContact OD2-CE 3.43Å; D156-K160 IonicContact OD2-NZ 3.3Å; D156-K160 PolarHBondContact OD2-NZ 3.05Å
157K80.3Confident74.6Confident113 Ų113116.3 Ų116.349%0.49155%0.55SS.*Hα-helixtrans-62.4-42177.3-176177.7178.6178.90111.5M153 R154 K160 R161M153-K157 WeakPolarHBondContact O-CB 3.45Å; M153-K157 PolarHBondContact O-N 3.27Å; R154-K157 WeakPolarHBondContact O-CB 3.41Å; R154-K157 PolarHBondContact O-N 2.88Å; R154-K157 VanDerWaalsContact O-N 3.12Å; K157-K160 PolarHBondContact O-N 3.46Å; K157-R161 VanDerWaalsContact CE-CZ 3.46Å; K157-R161 VanDerWaalsContact CE-NH2 3.33Å; K157-R161 WeakPolarHBondContact O-CG 3.11Å; K157-R161 PolarHBondContact O-N 3.28Å
158D81.5Confident73.8Confident91 Ų91119.1 Ų119.149%0.48757%0.569SS.*Hα-helixtrans-68.2-40.7178.3-64.4-27.5000111.3R154 D156 K160 R161 A162R154-D158 PolarHBondContact O-N 3.41Å; D156-D158 VanDerWaalsContact C-N 3.34Å; D156-D158 PolarHBondContact O-N 2.87Å; D158-K160 PolarHBondContact O-N 3.32Å; D158-R161 PolarHBondContact O-N 3.15Å; D158-A162 PolarHBondContact O-N 2.98Å
159R77.8Confident72.5Confident141 Ų141120.2 Ų120.253%0.53258%0.58SS.*Hα-helixtrans-58.5-45.4172.3-177.8175.662.9172.71.2112.5K155 D156 A162 Q163K155-R159 WeakPolarHBondContact O-CB 3.21Å; K155-R159 PolarHBondContact O-N 2.89Å; D156-R159 PolarHBondContact O-N 3.14Å; D156-R159 IonicContact OD1-CZ 3.37Å; D156-R159 IonicContact OD1-NE 2.75Å; D156-R159 IonicContact OD1-NH2 2.75Å; D156-R159 PolarHBondContact OD1-NH2 2.76Å; R159-A162 PolarHBondContact O-N 2.88Å; R159-Q163 PolarHBondContact O-N 2.85Å
160K77.9Confident71.2Confident116 Ų116117.4 Ų117.450%0.50459%0.586SS.*Hα-helixtrans-65.5-38177.5-78.3172.8173156.70112.6D156 K157 D158 Q163 A164D156-K160 WeakPolarHBondContact O-CG 3.44Å; D156-K160 PolarHBondContact O-N 2.87Å; D156-K160 VanDerWaalsContact OD2-CE 3.3Å; D156-K160 WeakPolarHBondContact OD2-CE 3.43Å; D156-K160 IonicContact OD2-NZ 3.3Å; D156-K160 PolarHBondContact OD2-NZ 3.05Å; K157-K160 PolarHBondContact O-N 3.46Å; D158-K160 PolarHBondContact O-N 3.32Å; K160-Q163 PolarHBondContact O-N 3.09Å; K160-A164 WeakPolarHBondContact O-CB 2.89Å; K160-A164 PolarHBondContact O-N 3.44Å
161R76.9Confident70.3Confident143 Ų143119.9 Ų119.954%0.5461%0.608SS.*Hα-helixtrans-65.5-40174.7-76.6171.1167.6-172-10.3112K157 D158 A164 K165K157-R161 VanDerWaalsContact CE-CZ 3.46Å; K157-R161 VanDerWaalsContact CE-NH2 3.33Å; K157-R161 WeakPolarHBondContact O-CG 3.11Å; K157-R161 PolarHBondContact O-N 3.28Å; D158-R161 PolarHBondContact O-N 3.15Å; R161-A164 PolarHBondContact O-N 3.18Å; R161-K165 WeakPolarHBondContact O-CG 3.47Å; R161-K165 PolarHBondContact O-N 3.24Å; R161-K165 VanDerWaalsContact O-N 3.09Å
162A73.6Confident68.8Low61 Ų61122.2 Ų122.250%0.50462%0.62SS.*Hα-helixtrans-62.7-43.9173.900000111.6D158 R159 A164 K165 L166D158-A162 PolarHBondContact O-N 2.98Å; R159-A162 PolarHBondContact O-N 2.88Å; A162-A164 PolarHBondContact O-N 3.44Å; A162-K165 PolarHBondContact O-N 3.07Å; A162-L166 PolarHBondContact O-N 3.19Å
163Q68.8Low66.9Low116 Ų116126.3 Ų126.354%0.54263%0.634SS.*Hα-helixtrans-63.9-37.1175.6-76177.2-13.900113.4R159 K160 L166R159-Q163 PolarHBondContact O-N 2.85Å; K160-Q163 PolarHBondContact O-N 3.09Å; Q163-L166 PolarHBondContact O-N 2.05Å
164A68.9Low65.4Low63 Ų63130.5 Ų130.552%0.52164%0.644SS.*Hα-helixtrans-69.6-35.3176.900000112.8K160 R161 A162 L166 R167K160-A164 WeakPolarHBondContact O-CB 2.89Å; K160-A164 PolarHBondContact O-N 3.44Å; R161-A164 PolarHBondContact O-N 3.18Å; A162-A164 PolarHBondContact O-N 3.44Å; A164-L166 VanDerWaalsContact C-N 3.32Å; A164-L166 PolarHBondContact O-N 2.86Å; A164-R167 PolarHBondContact O-N 3.2Å
165K67.9Low63.6Low164 Ų164126.8 Ų126.871%0.71364%0.644SS**Hα-helixtrans-65.9-33.6175.2-76.6-177.2177.2-172.30112.6R161 A162 R167 S168R161-K165 WeakPolarHBondContact O-CG 3.47Å; R161-K165 PolarHBondContact O-N 3.24Å; R161-K165 VanDerWaalsContact O-N 3.09Å; A162-K165 PolarHBondContact O-N 3.07Å; K165-R167 VanDerWaalsContact C-N 3.29Å; K165-R167 PolarHBondContact O-N 2.86Å; K165-S168 PolarHBondContact O-N 3.46Å
166L57.4Low61.7Low145 Ų145124.6 Ų124.676%0.75965%0.647SS**Hα-helixtrans-69.7-24.7178.3-159.571.3000113A162 Q163 A164A162-L166 PolarHBondContact O-N 3.19Å; Q163-L166 PolarHBondContact O-N 2.05Å; A164-L166 VanDerWaalsContact C-N 3.32Å; A164-L166 PolarHBondContact O-N 2.86Å
167R56.5Low59.7Low226 Ų226130.1 Ų130.185%0.85368%0.676SS**THydrogen-bonded Turntrans-86.6-3.9-179.6-69.8-178.2176.5-175.9-1.9114.7A164 K165A164-R167 PolarHBondContact O-N 3.2Å; K165-R167 VanDerWaalsContact C-N 3.29Å; K165-R167 PolarHBondContact O-N 2.86Å
168S55.9Low58Low104 Ų104130.4 Ų130.473%0.72769%0.689SS**THydrogen-bonded Turntrans-98.35.3-174-165.60000114.4K165K165-S168 PolarHBondContact O-N 3.46Å
169I50.7Low56.2Low155 Ų155133.1 Ų133.180%0.79570%0.702SS**  trans-113.8118.9176.5-56.3174.4000108.4
170G46.5Very low54.5Low66 Ų66132.8 Ų132.868%0.6871%0.711SS**  trans-152166.816500000110
171P55.9Low52.7Low127 Ų127136.1 Ų136.183%0.82573%0.725SS**  cis-130.8160.61238.2-20.3000117.7
172M49.8Very low51.2Low176 Ų176137.5 Ų137.587%0.86774%0.737SS**  trans51.2116.3154.3-76-66-147.900123.3
173D36.4Very low50Low148 Ų148141.9 Ų141.979%0.79175%0.747SS**  trans-140.9140130.3-167.811.7000109.4S175D173-S175 PolarHBondContact O-N 3.46Å
174Y47.1Very low49.3Very low210 Ų210139.8 Ų139.882%0.82474%0.744SS**  trans-80.998.3-173.1-165.1-92000109.1
175S44.4Very low49.2Very low89 Ų89146.2 Ų146.262%0.62276%0.763SS**  trans-130139.6165.4-76.80000108.9D173 L177D173-S175 PolarHBondContact O-N 3.46Å; S175-L177 PolarHBondContact O-N 3.37Å
176P43.1Very low49.2Very low123 Ų123141.9 Ų141.980%0.79975%0.745SS**  trans-54.5119.9-179.6-20.730.6000109.1
177L37Very low50.6Low155 Ų155135.2 Ų135.281%0.81271%0.711SS**  trans-37.6123.8179.1-63.3164000110.6S175 I179S175-L177 PolarHBondContact O-N 3.37Å; L177-I179 PolarHBondContact O-N 2.94Å
178P43.3Very low52.3Low119 Ų119125.8 Ų125.877%0.77368%0.679SS**  trans-58.9114.8152.6-722.4000104.2D180P178-D180 PolarHBondContact O-N 3.34Å
179I44.2Very low54.2Low149 Ų149120.9 Ų120.976%0.76465%0.645SS**  trans-46.5109.2169.2-66.7167.3000105.9L177 K181L177-I179 PolarHBondContact O-N 2.94Å; I179-K181 PolarHBondContact O-N 3.05Å
180D42.2Very low56.2Low133 Ų133117.8 Ų117.871%0.71162%0.623SS**  trans-64.288-175.8-170.710.9000108P178 H182P178-D180 PolarHBondContact O-N 3.34Å; D180-H182 PolarHBondContact O-N 2.93Å
181K41.1Very low58.3Low187 Ų187121.6 Ų121.681%0.81362%0.617SS**THydrogen-bonded Turntrans-74.637.7177.1-83-173175.9-179.60111.5I179I179-K181 PolarHBondContact O-N 3.05Å
182H45.5Very low59.9Low171 Ų171120.9 Ų120.979%0.79260%0.601SS**THydrogen-bonded Turntrans-128.432.7171.2-97.4-64.8000112.6D180D180-H182 PolarHBondContact O-N 2.93Å
183E48.2Very low61.9Low153 Ų153114 Ų11472%0.71557%0.567SS**SBendtrans-67.7128.6142-117.6-154.4133.600107E185E183-E185 PolarHBondContact O-N 3.07Å
184P53.6Low64.3Low73 Ų73110.1 Ų110.147%0.47455%0.546SS..  trans-63.3134.7-171.228.9-34.3000109.3F186P184-F186 HydrophobicContact CB-CD2 3.46Å; P184-F186 VanDerWaalsContact CB-CD2 3.46Å; P184-F186 HydrophobicContact CB-CE2 3.42Å; P184-F186 VanDerWaalsContact CB-CE2 3.42Å; P184-F186 HydrophobicContact CB-CG 4.45Å; P184-F186 HydrophobicContact CB-CZ 4.4Å; P184-F186 HydrophobicContact CG-CD2 3.63Å; P184-F186 HydrophobicContact CG-CE2 3.86Å; P184-F186 PolarHBondContact O-N 3.23Å
185E67Low66.2Low197 Ų197102.4 Ų102.492%0.92153%0.531SS*.  trans-48.122177.1-73.5179129.700116.8E183E183-E185 PolarHBondContact O-N 3.07Å
186F67.4Low68.2Low74 Ų74100.3 Ų100.333%0.32551%0.512SS..  trans-83.8131.1-176.8-58.5-59.4000111.8P184 R190P184-F186 HydrophobicContact CB-CD2 3.46Å; P184-F186 VanDerWaalsContact CB-CD2 3.46Å; P184-F186 HydrophobicContact CB-CE2 3.42Å; P184-F186 VanDerWaalsContact CB-CE2 3.42Å; P184-F186 HydrophobicContact CB-CG 4.45Å; P184-F186 HydrophobicContact CB-CZ 4.4Å; P184-F186 HydrophobicContact CG-CD2 3.63Å; P184-F186 HydrophobicContact CG-CE2 3.86Å; P184-F186 PolarHBondContact O-N 3.23Å; F186-R190 HydrophobicContact CB-CB 3.7Å; F186-R190 HydrophobicContact CB-CG 3.64Å; F186-R190 HydrophobicContact CD1-CG 4.24Å; F186-R190 HydrophobicContact CD2-CG 4.16Å; F186-R190 HydrophobicContact CG-CB 4.34Å; F186-R190 HydrophobicContact CG-CG 3.78Å
187G86.3Confident70.2Confident5 Ų597.6 Ų97.65%0.05249%0.49CS..  trans-58.4173.6175.600000115C189 R190 R191 K219 G220G187-C189 VanDerWaalsContact C-N 3.25Å; G187-C189 PolarHBondContact O-N 3.46Å; G187-C189 VanDerWaalsContact O-N 3.15Å; G187-R190 PolarHBondContact O-N 2.84Å; G187-R191 PolarHBondContact O-N 3Å; G187-K219 PolarHBondContact N-O 3.33Å; G187-G220 CarbonylContact C-O 3.51Å; G187-G220 WeakPolarHBondContact CA-O 3.36Å
188P93.1Very high72.3Confident28 Ų2894.9 Ų94.918%0.18247%0.473CS..Hα-helixtrans-59.2-29.2-17325.5-36.3000114.4K192 F221 F222 Y244P188-K192 PolarHBondContact O-N 3.4Å; P188-F221 HydrophobicContact CG-CD1 4.01Å; P188-F221 HydrophobicContact CG-CE1 4.33Å; P188-F222 HydrophobicContact CB-CE2 4.23Å; P188-F222 HydrophobicContact CG-CD2 4.41Å; P188-F222 HydrophobicContact CG-CE2 4.34Å; P188-Y244 HydrophobicContact CG-CD1 4.09Å
189C94.7Very high74Confident0 Ų091.3 Ų91.30%046%0.458CS..Hα-helixtrans-67.2-45.3178.6-178.40000111.6G187 K192 L193 C216 G220 F221 F222G187-C189 VanDerWaalsContact C-N 3.25Å; G187-C189 PolarHBondContact O-N 3.46Å; G187-C189 VanDerWaalsContact O-N 3.15Å; C189-K192 PolarHBondContact O-N 3.33Å; C189-L193 WeakPolarHBondContact O-CB 3.23Å; C189-L193 PolarHBondContact O-N 3Å; C189-C216 HydrophobicContact CB-CB 3.8Å; C189-C216 WeakPolarHBondContact CB-SG 3.24Å; C189-C216 PolarHBondContact O-SG 2.72Å; C189-C216 WeakPolarHBondContact SG-CA 3.46Å; C189-C216 WeakPolarHBondContact SG-CB 3.42Å; C189-C216 CovalentContact SG-SG 2.05Å; C189-C216 PolarHBondContact SG-SG 3.06Å; C189-G220 WeakPolarHBondContact CA-O 3.44Å; C189-G220 WeakPolarHBondContact CB-O 3.2Å; C189-G220 PolarHBondContact N-O 3.42Å; C189-F221 VanDerWaalsContact CB-C 3.4Å; C189-F222 VanDerWaalsContact CA-CE2 3.44Å; C189-F222 HydrophobicContact CB-CB 4.3Å; C189-F222 HydrophobicContact CB-CD1 3.87Å; C189-F222 HydrophobicContact CB-CD2 3.54Å; C189-F222 HydrophobicContact CB-CE1 4.02Å; C189-F222 HydrophobicContact CB-CE2 3.7Å; C189-F222 HydrophobicContact CB-CG 3.64Å; C189-F222 HydrophobicContact CB-CZ 3.94Å
190R92.8Very high75.5Confident90 Ų9086 Ų8634%0.3443%0.431SS..Hα-helixtrans-66.6-40.8-177.1-178.955.9175.7-83.80.2111.6F186 G187 K192 L193 D194 G220F186-R190 HydrophobicContact CB-CB 3.7Å; F186-R190 HydrophobicContact CB-CG 3.64Å; F186-R190 HydrophobicContact CD1-CG 4.24Å; F186-R190 HydrophobicContact CD2-CG 4.16Å; F186-R190 HydrophobicContact CG-CB 4.34Å; F186-R190 HydrophobicContact CG-CG 3.78Å; G187-R190 PolarHBondContact O-N 2.84Å; R190-K192 VanDerWaalsContact C-N 3.33Å; R190-K192 PolarHBondContact O-N 2.75Å; R190-L193 WeakPolarHBondContact O-CB 3.43Å; R190-L193 PolarHBondContact O-N 2.87Å; R190-D194 IonicContact NE-OD1 3.62Å; R190-D194 PolarHBondContact NE-OD1 3.04Å; R190-D194 VanDerWaalsContact NE-OD1 3.13Å; R190-D194 IonicContact NE-OD2 2.72Å; R190-D194 PolarHBondContact NE-OD2 2.95Å; R190-D194 WeakPolarHBondContact O-CB 3.49Å; R190-D194 PolarHBondContact O-N 2.94Å; R190-G220 PolarHBondContact N-O 3.07Å; R190-G220 VanDerWaalsContact N-O 3.09Å
191R90.8Very high76.8Confident146 Ų14686 Ų8655%0.55143%0.425SS*.Hα-helixtrans-58-45.2173.1-75-174.7-77.9129.2-7111.7G187 D194 G195G187-R191 PolarHBondContact O-N 3Å; R191-D194 PolarHBondContact O-N 2.99Å; R191-G195 PolarHBondContact O-N 3.13Å
192K90.6Very high77.9Confident113 Ų11383.4 Ų83.449%0.49142%0.419SS..Hα-helixtrans-62-43.8175.1-173.7173.1-174.3170.50112.2P188 C189 R190 G195 I196 F222P188-K192 PolarHBondContact O-N 3.4Å; C189-K192 PolarHBondContact O-N 3.33Å; R190-K192 VanDerWaalsContact C-N 3.33Å; R190-K192 PolarHBondContact O-N 2.75Å; K192-G195 PolarHBondContact O-N 3.12Å; K192-I196 HydrophobicContact CG-CD1 4.15Å; K192-I196 WeakPolarHBondContact O-CG1 3.3Å; K192-I196 PolarHBondContact O-N 3.22Å; K192-F222 HydrophobicContact CB-CZ 4.5Å; K192-F222 HydrophobicContact CD-CE1 4.34Å; K192-F222 HydrophobicContact CD-CZ 3.88Å
193L90.2Very high78.8Confident30 Ų3078.8 Ų78.816%0.15740%0.403CS..Hα-helixtrans-62.1-46.4178.5-179.364.5000111.8C189 R190 G195 I196 I197 L213 P214C189-L193 WeakPolarHBondContact O-CB 3.23Å; C189-L193 PolarHBondContact O-N 3Å; R190-L193 WeakPolarHBondContact O-CB 3.43Å; R190-L193 PolarHBondContact O-N 2.87Å; L193-G195 VanDerWaalsContact C-N 3.32Å; L193-G195 PolarHBondContact O-N 3.41Å; L193-I196 WeakPolarHBondContact O-CB 3.3Å; L193-I196 PolarHBondContact O-N 3.07Å; L193-I197 HydrophobicContact CD1-CD1 4.14Å; L193-I197 HydrophobicContact CD1-CG1 4.47Å; L193-I197 HydrophobicContact CG-CD1 3.89Å; L193-I197 WeakPolarHBondContact O-CG1 3.3Å; L193-I197 PolarHBondContact O-N 2.99Å; L193-L213 HydrophobicContact CD1-CB 4.11Å; L193-L213 HydrophobicContact CD1-CD2 4.05Å; L193-L213 HydrophobicContact CD1-CG 3.8Å; L193-P214 HydrophobicContact CB-CG 4.16Å; L193-P214 HydrophobicContact CD1-CG 4.36Å
194D88.6Confident79.3Confident67 Ų6777.8 Ų77.836%0.35841%0.413SS..Hα-helixtrans-64.5-38.5179.9-70.2-19.1000111R190 R191 I197 Q198R190-D194 IonicContact NE-OD1 3.62Å; R190-D194 PolarHBondContact NE-OD1 3.04Å; R190-D194 VanDerWaalsContact NE-OD1 3.13Å; R190-D194 IonicContact NE-OD2 2.72Å; R190-D194 PolarHBondContact NE-OD2 2.95Å; R190-D194 WeakPolarHBondContact O-CB 3.49Å; R190-D194 PolarHBondContact O-N 2.94Å; R191-D194 PolarHBondContact O-N 2.99Å; D194-I197 PolarHBondContact O-N 3.38Å; D194-Q198 VanDerWaalsContact O-CB 3.29Å; D194-Q198 WeakPolarHBondContact O-CB 3.45Å; D194-Q198 PolarHBondContact O-N 2.98Å
195G87Confident79.5Confident48 Ų4884.6 Ų84.650%0.49543%0.429SS..Hα-helixtrans-61-43.8172.600000113.1R191 K192 L193 Q198 G199R191-G195 PolarHBondContact O-N 3.13Å; K192-G195 PolarHBondContact O-N 3.12Å; L193-G195 VanDerWaalsContact C-N 3.32Å; L193-G195 PolarHBondContact O-N 3.41Å; G195-Q198 PolarHBondContact O-N 3.42Å; G195-G199 PolarHBondContact O-N 3.13Å
196I86.1Confident79.2Confident45 Ų4578.7 Ų78.723%0.23141%0.407CS..Hα-helixtrans-61.2-47.9174.9-69.9163.3000110.7K192 L193 Q198 G199 M200 L213 P214K192-I196 HydrophobicContact CG-CD1 4.15Å; K192-I196 WeakPolarHBondContact O-CG1 3.3Å; K192-I196 PolarHBondContact O-N 3.22Å; L193-I196 WeakPolarHBondContact O-CB 3.3Å; L193-I196 PolarHBondContact O-N 3.07Å; I196-Q198 VanDerWaalsContact C-N 3.32Å; I196-Q198 PolarHBondContact O-N 3.47Å; I196-G199 PolarHBondContact O-N 3.5Å; I196-M200 HydrophobicContact CG2-CE 3.38Å; I196-M200 WeakPolarHBondContact O-CG 3.21Å; I196-M200 PolarHBondContact O-N 3.46Å; I196-M200 VanDerWaalsContact O-N 3.15Å; I196-L213 HydrophobicContact CG2-CD1 4.11Å; I196-P214 HydrophobicContact CD1-CG 4.38Å
197I84.3Confident78.8Confident67 Ų6782.3 Ų82.334%0.34443%0.426SS..Hα-helixtrans-63.3-40.6-179.9-68.9168.1000110.9L193 D194 M200 K201L193-I197 HydrophobicContact CD1-CD1 4.14Å; L193-I197 HydrophobicContact CD1-CG1 4.47Å; L193-I197 HydrophobicContact CG-CD1 3.89Å; L193-I197 WeakPolarHBondContact O-CG1 3.3Å; L193-I197 PolarHBondContact O-N 2.99Å; D194-I197 PolarHBondContact O-N 3.38Å; I197-M200 PolarHBondContact O-N 3.37Å; I197-K201 PolarHBondContact O-N 2.85Å
198Q82.4Confident77.4Confident97 Ų9784.1 Ų84.145%0.45344%0.441SS..Hα-helixtrans-64.9-43.3178.9-170.461.523.800111D194 G195 I196 M200 K201D194-Q198 VanDerWaalsContact O-CB 3.29Å; D194-Q198 WeakPolarHBondContact O-CB 3.45Å; D194-Q198 PolarHBondContact O-N 2.98Å; G195-Q198 PolarHBondContact O-N 3.42Å; I196-Q198 VanDerWaalsContact C-N 3.32Å; I196-Q198 PolarHBondContact O-N 3.47Å; Q198-M200 PolarHBondContact O-N 2.99Å; Q198-K201 WeakPolarHBondContact O-CB 3.45Å; Q198-K201 PolarHBondContact O-N 3.01Å; Q198-K201 VanDerWaalsContact O-N 3.13Å
199G77.6Confident75.4Confident44 Ų4487.7 Ų87.745%0.45446%0.458SS..Hα-helixtrans-62.5-28175.300000113.9G195 I196G195-G199 PolarHBondContact O-N 3.13Å; I196-G199 PolarHBondContact O-N 3.5Å
200M75.4Confident73.7Confident38 Ų3892.2 Ų92.219%0.18749%0.49CS..Hα-helixtrans-74.9-26.3175.3-68.5-175.3-160.900113.8I196 I197 Q198 D202 T203 V206 L211 L213I196-M200 HydrophobicContact CG2-CE 3.38Å; I196-M200 WeakPolarHBondContact O-CG 3.21Å; I196-M200 PolarHBondContact O-N 3.46Å; I196-M200 VanDerWaalsContact O-N 3.15Å; I197-M200 PolarHBondContact O-N 3.37Å; Q198-M200 PolarHBondContact O-N 2.99Å; M200-D202 PolarHBondContact O-N 3.44Å; M200-T203 PolarHBondContact O-N 2.91Å; M200-T203 PolarHBondContact O-OG1 3.41Å; M200-T203 VanDerWaalsContact O-OG1 3.06Å; M200-V206 HydrophobicContact SD-CG1 4.34Å; M200-L211 HydrophobicContact CE-CB 4.05Å; M200-L211 HydrophobicContact CE-CD1 3.71Å; M200-L211 HydrophobicContact CE-CD2 3.31Å; M200-L211 HydrophobicContact CE-CG 3.85Å; M200-L211 HydrophobicContact SD-CD1 4.04Å; M200-L211 HydrophobicContact SD-CD2 4.41Å; M200-L213 HydrophobicContact CE-CD1 3.62Å
201K69.6Low72.6Confident134 Ų13490.1 Ų90.158%0.58349%0.485SS*.Hα-helixtrans-63.6-27.8-179.6-72.2178.2-171.5162.80112.4I197 Q198 T203I197-K201 PolarHBondContact O-N 2.85Å; Q198-K201 WeakPolarHBondContact O-CB 3.45Å; Q198-K201 PolarHBondContact O-N 3.01Å; Q198-K201 VanDerWaalsContact O-N 3.13Å; K201-T203 VanDerWaalsContact C-N 3.33Å
202D65.7Low72.3Confident132 Ų13285.8 Ų85.871%0.70647%0.469SS*.THydrogen-bonded Turntrans-86.7-7.5-176.8-56.9-27.9000112M200M200-D202 PolarHBondContact O-N 3.44Å
203T64.7Low72.2Confident74 Ų7484.2 Ų84.245%0.45447%0.465SS..  trans-111.7116178.456.50000111.6M200 K201 R205M200-T203 PolarHBondContact O-N 2.91Å; M200-T203 PolarHBondContact O-OG1 3.41Å; M200-T203 VanDerWaalsContact O-OG1 3.06Å; K201-T203 VanDerWaalsContact C-N 3.33Å; T203-R205 PolarHBondContact O-N 3.06Å; T203-R205 VanDerWaalsContact O-N 3.12Å
204S57.3Low72.3Confident131 Ų13183 Ų8392%0.91646%0.46SS*.SBendtrans-62.8-17.8179.1175.90000114
205R58.6Low72.5Confident217 Ų21783.1 Ų83.182%0.81946%0.46SS*.SBendtrans-123.8111.5175.7-71.3-176.4176.2-176.7-0.9110.7T203 M207T203-R205 PolarHBondContact O-N 3.06Å; T203-R205 VanDerWaalsContact O-N 3.12Å; R205-M207 PolarHBondContact O-N 3.24Å; R205-M207 VanDerWaalsContact O-N 3.15Å
206V61.3Low72.8Confident73 Ų7382.2 Ų82.244%0.44245%0.446SS..  trans-71.4101.3169.5176.80000107.4M200 A208 L211M200-V206 HydrophobicContact SD-CG1 4.34Å; V206-A208 VanDerWaalsContact C-N 3.26Å; V206-A208 PolarHBondContact O-N 3.44Å; V206-L211 HydrophobicContact CB-CD1 4.25Å; V206-L211 HydrophobicContact CG1-CD1 3.11Å
207M58.3Low73.1Confident149 Ų14983 Ų8373%0.73445%0.451SS*.  trans-69.984.4173.3-71.9-138.2-141.100109.9R205 L209 S210 L211R205-M207 PolarHBondContact O-N 3.24Å; R205-M207 VanDerWaalsContact O-N 3.15Å; M207-L209 PolarHBondContact O-N 3.3Å; M207-S210 PolarHBondContact O-N 3.15Å; M207-L211 WeakPolarHBondContact O-CD1 3.3Å; M207-L211 VanDerWaalsContact O-CG 3.31Å; M207-L211 WeakPolarHBondContact O-CG 3.12Å
208A55.6Low73.3Confident44 Ų4489.6 Ų89.636%0.36447%0.471SS..THydrogen-bonded Turntrans-54.6-24.2-173.700000114.4V23 V206 S210V23-A208 HydrophobicContact CG1-CB 3.97Å; V206-A208 VanDerWaalsContact C-N 3.26Å; V206-A208 PolarHBondContact O-N 3.44Å; A208-S210 VanDerWaalsContact C-N 3.32Å; A208-S210 PolarHBondContact O-N 3.14Å
209L53Low73.6Confident102 Ų10292.6 Ų92.653%0.53448%0.483SS..THydrogen-bonded Turntrans-67.4-23.4-174.7-89.984000115.2E26 M207 R231E26-L209 HydrophobicContact CB-CD1 4.29Å; E26-L209 WeakPolarHBondContact OE2-CD1 3.32Å; E26-L209 WeakPolarHBondContact OE2-CD2 3.49Å; M207-L209 PolarHBondContact O-N 3.3Å; L209-R231 PolarHBondContact O-NH2 3.47Å
210S57.5Low74.2Confident96 Ų9690.6 Ų90.667%0.67146%0.462SS*.THydrogen-bonded Turntrans-117-0.8-177.5640000114.3M207 A208 Y212M207-S210 PolarHBondContact O-N 3.15Å; A208-S210 VanDerWaalsContact C-N 3.32Å; A208-S210 PolarHBondContact O-N 3.14Å; S210-Y212 PolarHBondContact O-N 2.66Å; S210-Y212 VanDerWaalsContact O-N 3.15Å
211L71.3Confident75.1Confident46 Ų4691.8 Ų91.824%0.24147%0.466CS..  trans-83.8101.2-171.7-68.7171.5000111.6M200 V206 M207 P229M200-L211 HydrophobicContact CE-CB 4.05Å; M200-L211 HydrophobicContact CE-CD1 3.71Å; M200-L211 HydrophobicContact CE-CD2 3.31Å; M200-L211 HydrophobicContact CE-CG 3.85Å; M200-L211 HydrophobicContact SD-CD1 4.04Å; M200-L211 HydrophobicContact SD-CD2 4.41Å; V206-L211 HydrophobicContact CB-CD1 4.25Å; V206-L211 HydrophobicContact CG1-CD1 3.11Å; M207-L211 WeakPolarHBondContact O-CD1 3.3Å; M207-L211 VanDerWaalsContact O-CG 3.31Å; M207-L211 WeakPolarHBondContact O-CG 3.12Å; L211-P229 VanDerWaalsContact O-CG 3.29Å; L211-P229 WeakPolarHBondContact O-CG 3.44Å
212Y82.6Confident76.2Confident55 Ų5586.1 Ų86.122%0.21644%0.442CS..  trans-91.2115.7168.6171.1-109.9000109.9S210 P214 Q226 W239S210-Y212 PolarHBondContact O-N 2.66Å; S210-Y212 VanDerWaalsContact O-N 3.15Å; Y212-P214 HydrophobicContact CE1-CB 4.14Å; Y212-Q226 WeakPolarHBondContact OH-CB 3.34Å; Y212-Q226 PolarHBondContact OH-OE1 3.42Å; Y212-W239 HydrophobicContact CD2-CH2 4.04Å; Y212-W239 HydrophobicContact CE1-CZ2 4.45Å; Y212-W239 AromaticContact CE2-CH2 3.43Å; Y212-W239 HydrophobicContact CE2-CH2 3.43Å; Y212-W239 VanDerWaalsContact CE2-CH2 3.43Å; Y212-W239 AromaticContact CE2-CZ2 3.79Å; Y212-W239 HydrophobicContact CE2-CZ2 3.79Å; Y212-W239 AromaticContact CZ-CH2 3.82Å; Y212-W239 AromaticContact CZ-CZ2 3.66Å; Y212-W239 WeakPolarHBondContact OH-CZ2 3.49Å
213L89.2Confident77.5Confident79 Ų7985.1 Ų85.141%0.41443%0.431SS..  trans-99.3122.1168.7-90.865.4000109.3L193 I196 M200L193-L213 HydrophobicContact CD1-CB 4.11Å; L193-L213 HydrophobicContact CD1-CD2 4.05Å; L193-L213 HydrophobicContact CD1-CG 3.8Å; I196-L213 HydrophobicContact CG2-CD1 4.11Å; M200-L213 HydrophobicContact CE-CD1 3.62Å
214P92.4Very high78.8Confident6 Ų684.9 Ų84.94%0.03942%0.422CS..  trans-70.6141.9178.330.5-35.8000111.4L193 I196 Y212 C216 F222L193-P214 HydrophobicContact CB-CG 4.16Å; L193-P214 HydrophobicContact CD1-CG 4.36Å; I196-P214 HydrophobicContact CD1-CG 4.38Å; Y212-P214 HydrophobicContact CE1-CB 4.14Å; P214-C216 PolarHBondContact O-N 3.26Å; P214-F222 HydrophobicContact CB-CD1 4.09Å; P214-F222 HydrophobicContact CB-CE1 3.64Å; P214-F222 HydrophobicContact CG-CE1 4.4Å
215N92.6Very high80.3Confident69 Ų6981.8 Ų81.837%0.36939%0.392SS..  trans-84112.7175.9-62.1-83.5000109.2K223 Q226N215-K223 HydrophobicContact CB-CB 4.24Å; N215-K223 HydrophobicContact CB-CD 4.29Å; N215-K223 HydrophobicContact CB-CG 4.44Å; N215-K223 WeakPolarHBondContact O-CB 3.19Å; N215-K223 PolarHBondContact O-N 2.75Å; N215-Q226 PolarHBondContact ND2-OE1 3.25Å; N215-Q226 PolarHBondContact O-NE2 3.27Å
216C93.8Very high81.8Confident29 Ų2971.5 Ų71.520%0.19635%0.353CS..BIsolated β-bridgetrans-100.3151.3179-47.90000111.7C189 P214 F221 K223C189-C216 HydrophobicContact CB-CB 3.8Å; C189-C216 WeakPolarHBondContact CB-SG 3.24Å; C189-C216 PolarHBondContact O-SG 2.72Å; C189-C216 WeakPolarHBondContact SG-CA 3.46Å; C189-C216 WeakPolarHBondContact SG-CB 3.42Å; C189-C216 CovalentContact SG-SG 2.05Å; C189-C216 PolarHBondContact SG-SG 3.06Å; P214-C216 PolarHBondContact O-N 3.26Å; C216-F221 CarbonylContact C-O 3.49Å; C216-F221 VanDerWaalsContact CA-O 3.27Å; C216-F221 WeakPolarHBondContact CA-O 3.44Å; C216-K223 VanDerWaalsContact O-CE 3.3Å; C216-K223 WeakPolarHBondContact O-CE 3.09Å
217D91.4Very high82.9Confident62 Ų6269.8 Ų69.833%0.33234%0.344SS..  trans-79.3-175.9167.473.512.1000111.5K219 G220 F221 K223D217-K219 VanDerWaalsContact C-N 3.3Å; D217-K219 PolarHBondContact O-N 3.41Å; D217-K219 VanDerWaalsContact OD1-C 3.31Å; D217-K219 WeakPolarHBondContact OD1-CA 3.27Å; D217-K219 PolarHBondContact OD1-N 2.98Å; D217-G220 PolarHBondContact O-N 3.32Å; D217-G220 PolarHBondContact OD1-N 3.46Å; D217-F221 PolarHBondContact N-O 3.21Å; D217-F221 PolarHBondContact OD1-N 2.94Å; D217-K223 HydrophobicContact CB-CG 4.32Å
218R88.5Confident84.1Confident205 Ų20568.1 Ų68.177%0.77433%0.333SS*.THydrogen-bonded Turntrans-69.3-26.8179.9-63.6-175.5-178.1-173.22.4113G220R218-G220 VanDerWaalsContact C-N 3.32Å
219K88.4Confident85.2Confident159 Ų15969.4 Ų69.469%0.69134%0.337SS*.THydrogen-bonded Turntrans-85.2-7.2178.5-63.1-179-179.1-179.80112G187 D217 F221G187-K219 PolarHBondContact N-O 3.33Å; D217-K219 VanDerWaalsContact C-N 3.3Å; D217-K219 PolarHBondContact O-N 3.41Å; D217-K219 VanDerWaalsContact OD1-C 3.31Å; D217-K219 WeakPolarHBondContact OD1-CA 3.27Å; D217-K219 PolarHBondContact OD1-N 2.98Å; K219-F221 HydrophobicContact CB-CD2 3.82Å; K219-F221 HydrophobicContact CB-CE2 4.18Å
220G91.2Very high86.3Confident2 Ų267.1 Ų67.12%0.02133%0.33CS..SBendtrans86.712.518000000114.5G187 C189 R190 D217 R218G187-G220 CarbonylContact C-O 3.51Å; G187-G220 WeakPolarHBondContact CA-O 3.36Å; C189-G220 WeakPolarHBondContact CA-O 3.44Å; C189-G220 WeakPolarHBondContact CB-O 3.2Å; C189-G220 PolarHBondContact N-O 3.42Å; R190-G220 PolarHBondContact N-O 3.07Å; R190-G220 VanDerWaalsContact N-O 3.09Å; D217-G220 PolarHBondContact O-N 3.32Å; D217-G220 PolarHBondContact OD1-N 3.46Å; R218-G220 VanDerWaalsContact C-N 3.32Å
221F94.1Very high87Confident63 Ų6370.9 Ų70.928%0.27633%0.33SS..SBendtrans-85.8164.7170.5-67.1-90.1000111P188 C189 C216 D217 K219 K223 K243 Y244P188-F221 HydrophobicContact CG-CD1 4.01Å; P188-F221 HydrophobicContact CG-CE1 4.33Å; C189-F221 VanDerWaalsContact CB-C 3.4Å; C216-F221 CarbonylContact C-O 3.49Å; C216-F221 VanDerWaalsContact CA-O 3.27Å; C216-F221 WeakPolarHBondContact CA-O 3.44Å; D217-F221 PolarHBondContact N-O 3.21Å; D217-F221 PolarHBondContact OD1-N 2.94Å; K219-F221 HydrophobicContact CB-CD2 3.82Å; K219-F221 HydrophobicContact CB-CE2 4.18Å; F221-K223 PolarHBondContact O-N 3.05Å; F221-K243 HydrophobicContact CB-CB 4.4Å; F221-K243 HydrophobicContact CD1-CB 4.23Å; F221-K243 HydrophobicContact CD1-CG 4.44Å; F221-Y244 HydrophobicContact CE1-CE1 4.49Å
222F93.6Very high86.8Confident16 Ų1670.2 Ų70.27%0.0733%0.333CS..BIsolated β-bridgetrans-69.5130.8178.2-72.3-94.5000109.5P188 C189 K192 P214 V241 K243 Y244 G245P188-F222 HydrophobicContact CB-CE2 4.23Å; P188-F222 HydrophobicContact CG-CD2 4.41Å; P188-F222 HydrophobicContact CG-CE2 4.34Å; C189-F222 VanDerWaalsContact CA-CE2 3.44Å; C189-F222 HydrophobicContact CB-CB 4.3Å; C189-F222 HydrophobicContact CB-CD1 3.87Å; C189-F222 HydrophobicContact CB-CD2 3.54Å; C189-F222 HydrophobicContact CB-CE1 4.02Å; C189-F222 HydrophobicContact CB-CE2 3.7Å; C189-F222 HydrophobicContact CB-CG 3.64Å; C189-F222 HydrophobicContact CB-CZ 3.94Å; K192-F222 HydrophobicContact CB-CZ 4.5Å; K192-F222 HydrophobicContact CD-CE1 4.34Å; K192-F222 HydrophobicContact CD-CZ 3.88Å; P214-F222 HydrophobicContact CB-CD1 4.09Å; P214-F222 HydrophobicContact CB-CE1 3.64Å; P214-F222 HydrophobicContact CG-CE1 4.4Å; F222-V241 HydrophobicContact CB-CG2 3.98Å; F222-K243 PolarHBondContact N-O 3.33Å; F222-K243 VanDerWaalsContact N-O 3.14Å; F222-Y244 VanDerWaalsContact CD2-O 3.3Å; F222-Y244 WeakPolarHBondContact CD2-O 3.3Å; F222-Y244 WeakPolarHBondContact CE2-O 3.43Å; F222-G245 VanDerWaalsContact CD2-N 3.33Å
223K93.1Very high86.1Confident111 Ų11171.8 Ų71.848%0.48334%0.339SS..PPolyproline II helixtrans-61.6141.4165.7-72.5-165.7175.4-174.60109.1N215 C216 D217 F221 K225 Q226 V241N215-K223 HydrophobicContact CB-CB 4.24Å; N215-K223 HydrophobicContact CB-CD 4.29Å; N215-K223 HydrophobicContact CB-CG 4.44Å; N215-K223 WeakPolarHBondContact O-CB 3.19Å; N215-K223 PolarHBondContact O-N 2.75Å; C216-K223 VanDerWaalsContact O-CE 3.3Å; C216-K223 WeakPolarHBondContact O-CE 3.09Å; D217-K223 HydrophobicContact CB-CG 4.32Å; F221-K223 PolarHBondContact O-N 3.05Å; K223-K225 PolarHBondContact O-N 3.01Å; K223-K225 VanDerWaalsContact O-N 3.16Å; K223-Q226 PolarHBondContact O-NE2 3.14Å; K223-V241 WeakPolarHBondContact O-CG2 3.38Å
224R90.5Very high85.3Confident68 Ų6875.9 Ų75.926%0.25735%0.353SS..SBendtrans-54.8-37.5-178.4-157.3-176.6-176.596.313.8113.3C240 V241 C260 K261 D262 L263R224-C240 CarbonylContact O-C 2.94Å; R224-C240 WeakPolarHBondContact O-CA 3.45Å; R224-V241 WeakPolarHBondContact CA-O 3.38Å; R224-V241 WeakPolarHBondContact CG-O 3.07Å; R224-V241 PolarHBondContact O-N 3Å; R224-C260 HydrophobicContact CB-CB 4.25Å; R224-C260 WeakPolarHBondContact CD-O 3.48Å; R224-C260 HydrophobicContact CG-CB 3.65Å; R224-C260 PolarHBondContact NE-O 3.35Å; R224-K261 PolarHBondContact NE-O 3.49Å; R224-K261 PolarHBondContact NH2-O 3.28Å; R224-D262 WeakPolarHBondContact CD-OD1 3.49Å; R224-D262 VanDerWaalsContact CZ-CA 3.42Å; R224-D262 IonicContact CZ-OD1 3.25Å; R224-D262 IonicContact NE-OD1 3.57Å; R224-D262 IonicContact NH1-OD1 2.91Å; R224-D262 PolarHBondContact NH1-OD1 3.29Å; R224-L263 VanDerWaalsContact NH2-N 3.17Å
225K89.3Confident84.7Confident67 Ų6779.3 Ų79.329%0.29137%0.365SS..EExtended strand (participates in β ladder)trans-98.4120.2174.2-175169.7177.9161.70110.3K223 C238 G256 I258K223-K225 PolarHBondContact O-N 3.01Å; K223-K225 VanDerWaalsContact O-N 3.16Å; K225-C238 HydrophobicContact CG-CB 4.25Å; K225-G256 PolarHBondContact NZ-O 3.34Å; K225-I258 HydrophobicContact CD-CG2 4.01Å; K225-I258 HydrophobicContact CG-CG2 4.23Å; K225-I258 PolarHBondContact NZ-O 3.05Å
226Q89.4Confident84Confident0 Ų076.3 Ų76.30%035%0.351CS..EExtended strand (participates in β ladder)trans-110.9146.4172.7-65.7-59.4-37.100110Y212 N215 K223 C238 W239 V241Y212-Q226 WeakPolarHBondContact OH-CB 3.34Å; Y212-Q226 PolarHBondContact OH-OE1 3.42Å; N215-Q226 PolarHBondContact ND2-OE1 3.25Å; N215-Q226 PolarHBondContact O-NE2 3.27Å; K223-Q226 PolarHBondContact O-NE2 3.14Å; Q226-C238 CarbonylContact O-C 3.55Å; Q226-C238 WeakPolarHBondContact O-CA 3.47Å; Q226-C238 VanDerWaalsContact O-CB 3.3Å; Q226-C238 WeakPolarHBondContact O-CB 3.49Å; Q226-W239 HydrophobicContact CB-CD2 4.08Å; Q226-W239 HydrophobicContact CB-CH2 4.27Å; Q226-W239 HydrophobicContact CB-CZ2 3.72Å; Q226-W239 PolarHBondContact N-O 2.95Å; Q226-W239 PolarHBondContact O-N 3.41Å; Q226-V241 HydrophobicContact CB-CG1 4.48Å; Q226-V241 HydrophobicContact CG-CB 4.42Å; Q226-V241 HydrophobicContact CG-CG1 3.92Å; Q226-V241 HydrophobicContact CG-CG2 3.54Å
227C86.2Confident83.5Confident37 Ų3779.3 Ų79.325%0.2536%0.364CS..EExtended strand (participates in β ladder)trans-138.2141-179.1-57.80000111I237 C238C227-I237 CarbonylContact C-O 3.47Å; C227-I237 VanDerWaalsContact CA-O 3.31Å; C227-I237 WeakPolarHBondContact CA-O 3.36Å; C227-C238 HydrophobicContact CB-CB 4.07Å; C227-C238 WeakPolarHBondContact CB-SG 3.24Å; C227-C238 WeakPolarHBondContact SG-CB 3.42Å; C227-C238 CovalentContact SG-SG 2.04Å; C227-C238 PolarHBondContact SG-SG 3.45Å
228K83.4Confident83.3Confident114 Ų11476.7 Ų76.750%0.49635%0.351SS..PPolyproline II helixtrans-72.5156.7165.9-66.2-150.3179.1177.90110.1G236 I237 W239K228-G236 VanDerWaalsContact O-CA 3.25Å; K228-G236 WeakPolarHBondContact O-CA 3.33Å; K228-I237 PolarHBondContact N-O 3.12Å; K228-W239 HydrophobicContact CB-CZ3 4.46Å; K228-W239 HydrophobicContact CG-CH2 3.83Å; K228-W239 HydrophobicContact CG-CZ3 3.59Å
229P78.7Confident83.2Confident71 Ų7168.4 Ų68.446%0.46132%0.32SS..PPolyproline II helixtrans-53.9151.3167.7-23.633.1000111.7L211L211-P229 VanDerWaalsContact O-CG 3.29Å; L211-P229 WeakPolarHBondContact O-CG 3.44Å
230S75.9Confident83.3Confident55 Ų5561 Ų6139%0.38529%0.288SS..PPolyproline II helixtrans-67.6144.7175.6-58.30000110.4Y68 K234 G236Y68-S230 WeakPolarHBondContact CE1-OG 3.4Å; Y68-S230 PolarHBondContact OH-OG 2.83Å; S230-K234 WeakPolarHBondContact CB-O 3.29Å; S230-G236 PolarHBondContact OG-N 3.49Å
231R71.8Confident83.3Confident175 Ų17561 Ų6166%0.6629%0.287SS*.BIsolated β-bridgetrans-118.9106.8177.7-72-168.8171.4-179.2-4.3109.5L209 R233 K234L209-R231 PolarHBondContact O-NH2 3.47Å; R231-R233 PolarHBondContact O-N 2.94Å; R231-K234 PolarHBondContact N-O 3.34Å; R231-K234 PolarHBondContact O-N 3.36Å; R231-K234 VanDerWaalsContact O-N 3.15Å
232G67.9Low83.2Confident31 Ų3160.8 Ų60.832%0.3229%0.289SS..THydrogen-bonded Turntrans59.1-120.1-175.700000111.3
233R66.3Low83.1Confident89 Ų8965.8 Ų65.834%0.33631%0.311SS..THydrogen-bonded Turntrans-81.3-14.7-179.5-44.2-162.7158156.6-17.2114.8E48 P49 T56 Y68 R231E48-R233 IonicContact OE1-CZ 2.85Å; E48-R233 IonicContact OE1-NE 3.6Å; E48-R233 IonicContact OE1-NH1 2.84Å; E48-R233 PolarHBondContact OE1-NH1 3.03Å; E48-R233 IonicContact OE1-NH2 2.89Å; E48-R233 PolarHBondContact OE1-NH2 3.34Å; E48-R233 IonicContact OE2-CZ 3.95Å; E48-R233 IonicContact OE2-NE 3.98Å; P49-R233 HydrophobicContact CG-CB 4.35Å; P49-R233 HydrophobicContact CG-CG 3.83Å; T56-R233 PolarHBondContact OG1-NH2 3.06Å; Y68-R233 WeakPolarHBondContact CD1-O 3.49Å; R231-R233 PolarHBondContact O-N 2.94Å
234K73.4Confident83Confident165 Ų16567 Ų6772%0.71731%0.313SS*.BIsolated β-bridgetrans-92.7128.7-171.6-66.7-172.6-179.5-177.60109.8S230 R231S230-K234 WeakPolarHBondContact CB-O 3.29Å; R231-K234 PolarHBondContact N-O 3.34Å; R231-K234 PolarHBondContact O-N 3.36Å; R231-K234 VanDerWaalsContact O-N 3.15Å
235R79Confident83Confident77 Ų7765 Ų6529%0.29132%0.315SS..PPolyproline II helixtrans-55.3141.2169.7-168.9162.2-176.5157.6-6.5109.1Y68 L92 H93 I237Y68-R235 HydrophobicContact CD2-CB 4.22Å; Y68-R235 HydrophobicContact CD2-CG 4.48Å; Y68-R235 HydrophobicContact CE1-CB 4.26Å; Y68-R235 HydrophobicContact CE2-CB 3.93Å; Y68-R235 HydrophobicContact CE2-CG 3.78Å; L92-R235 PolarHBondContact O-NH1 3.2Å; H93-R235 PolarHBondContact NE2-NH1 3.25Å; R235-I237 PolarHBondContact O-N 2.94Å
236G78.6Confident83.1Confident7 Ų765 Ų657%0.07232%0.323CS..PPolyproline II helixtrans-52.1138.9175.700000111.7K228 S230K228-G236 VanDerWaalsContact O-CA 3.25Å; K228-G236 WeakPolarHBondContact O-CA 3.33Å; S230-G236 PolarHBondContact OG-N 3.49Å
237I83.1Confident83Confident92 Ų9269.8 Ų69.847%0.47235%0.345SS..PPolyproline II helixtrans-69.4132.4174.3-62.2171000107.9C227 K228 R235 W239 Y253C227-I237 CarbonylContact C-O 3.47Å; C227-I237 VanDerWaalsContact CA-O 3.31Å; C227-I237 WeakPolarHBondContact CA-O 3.36Å; K228-I237 PolarHBondContact N-O 3.12Å; R235-I237 PolarHBondContact O-N 2.94Å; I237-W239 WeakPolarHBondContact O-CZ3 3.29Å; I237-Y253 HydrophobicContact CG2-CD1 3.16Å; I237-Y253 HydrophobicContact CG2-CE1 3.81Å; I237-Y253 HydrophobicContact CG2-CG 3.98Å
238C86.1Confident82.9Confident7 Ų769.3 Ų69.35%0.04734%0.341CS..EExtended strand (participates in β ladder)trans-117.7150.4179-560000111.4K225 Q226 C227 I258K225-C238 HydrophobicContact CG-CB 4.25Å; Q226-C238 CarbonylContact O-C 3.55Å; Q226-C238 WeakPolarHBondContact O-CA 3.47Å; Q226-C238 VanDerWaalsContact O-CB 3.3Å; Q226-C238 WeakPolarHBondContact O-CB 3.49Å; C227-C238 HydrophobicContact CB-CB 4.07Å; C227-C238 WeakPolarHBondContact CB-SG 3.24Å; C227-C238 WeakPolarHBondContact SG-CB 3.42Å; C227-C238 CovalentContact SG-SG 2.04Å; C227-C238 PolarHBondContact SG-SG 3.45Å; C238-I258 HydrophobicContact CB-CG2 3.65Å
239W88.3Confident82.6Confident31 Ų3169.7 Ų69.712%0.11736%0.355CS..EExtended strand (participates in β ladder)trans-141.8163.5176.862.899.4000110.2Y212 Q226 K228 I237 V241 Y253Y212-W239 HydrophobicContact CD2-CH2 4.04Å; Y212-W239 HydrophobicContact CE1-CZ2 4.45Å; Y212-W239 AromaticContact CE2-CH2 3.43Å; Y212-W239 HydrophobicContact CE2-CH2 3.43Å; Y212-W239 VanDerWaalsContact CE2-CH2 3.43Å; Y212-W239 AromaticContact CE2-CZ2 3.79Å; Y212-W239 HydrophobicContact CE2-CZ2 3.79Å; Y212-W239 AromaticContact CZ-CH2 3.82Å; Y212-W239 AromaticContact CZ-CZ2 3.66Å; Y212-W239 WeakPolarHBondContact OH-CZ2 3.49Å; Q226-W239 HydrophobicContact CB-CD2 4.08Å; Q226-W239 HydrophobicContact CB-CH2 4.27Å; Q226-W239 HydrophobicContact CB-CZ2 3.72Å; Q226-W239 PolarHBondContact N-O 2.95Å; Q226-W239 PolarHBondContact O-N 3.41Å; K228-W239 HydrophobicContact CB-CZ3 4.46Å; K228-W239 HydrophobicContact CG-CH2 3.83Å; K228-W239 HydrophobicContact CG-CZ3 3.59Å; I237-W239 WeakPolarHBondContact O-CZ3 3.29Å; W239-V241 VanDerWaalsContact CD1-CG1 3.44Å; W239-V241 VanDerWaalsContact NE1-CG1 3.34Å; W239-Y253 HydrophobicContact CB-CE1 4.25Å
240C90.4Very high82.1Confident3 Ų370.4 Ų70.42%0.0238%0.376CS..EExtended strand (participates in β ladder)trans-95.8140.4176.2-55.60000111.4R224 Q247 V248 T251 I258 C260R224-C240 CarbonylContact O-C 2.94Å; R224-C240 WeakPolarHBondContact O-CA 3.45Å; C240-Q247 WeakPolarHBondContact O-CA 3.35Å; C240-V248 HydrophobicContact CB-CB 4.37Å; C240-V248 HydrophobicContact CB-CG2 4.44Å; C240-V248 PolarHBondContact O-N 3.09Å; C240-T251 HydrophobicContact CB-CG2 3.71Å; C240-I258 WeakPolarHBondContact SG-CD1 3.48Å; C240-C260 VanDerWaalsContact CA-SG 3.53Å; C240-C260 HydrophobicContact CB-CB 3.84Å; C240-C260 WeakPolarHBondContact CB-SG 3.5Å; C240-C260 WeakPolarHBondContact SG-CA 3.41Å; C240-C260 WeakPolarHBondContact SG-CB 3.18Å; C240-C260 CovalentContact SG-SG 2.03Å; C240-C260 PolarHBondContact SG-SG 3.49Å
241V91.3Very high81.5Confident2 Ų269.2 Ų69.21%0.01237%0.366CS..BIsolated β-bridgetrans-130.4158.2175.6-58.90000110.8F222 K223 R224 Q226 W239 S246F222-V241 HydrophobicContact CB-CG2 3.98Å; K223-V241 WeakPolarHBondContact O-CG2 3.38Å; R224-V241 WeakPolarHBondContact CA-O 3.38Å; R224-V241 WeakPolarHBondContact CG-O 3.07Å; R224-V241 PolarHBondContact O-N 3Å; Q226-V241 HydrophobicContact CB-CG1 4.48Å; Q226-V241 HydrophobicContact CG-CB 4.42Å; Q226-V241 HydrophobicContact CG-CG1 3.92Å; Q226-V241 HydrophobicContact CG-CG2 3.54Å; W239-V241 VanDerWaalsContact CD1-CG1 3.44Å; W239-V241 VanDerWaalsContact NE1-CG1 3.34Å; V241-S246 CarbonylContact C-O 3.06Å; V241-S246 WeakPolarHBondContact CA-O 3.44Å; V241-S246 WeakPolarHBondContact CB-O 3.5Å
242D91Very high80.7Confident59 Ų5967 Ų6732%0.31637%0.368SS..  trans-74.7179165.771.614.7000112Y244 G245 S246D242-Y244 PolarHBondContact O-N 3.3Å; D242-Y244 VanDerWaalsContact O-N 3.11Å; D242-Y244 VanDerWaalsContact OD1-C 3.3Å; D242-Y244 VanDerWaalsContact OD1-CA 3.3Å; D242-Y244 WeakPolarHBondContact OD1-CA 3.45Å; D242-Y244 WeakPolarHBondContact OD1-CB 3.39Å; D242-Y244 PolarHBondContact OD1-N 3.47Å; D242-G245 PolarHBondContact O-N 3.4Å; D242-G245 PolarHBondContact OD1-N 3.32Å; D242-S246 PolarHBondContact N-O 2.84Å; D242-S246 PolarHBondContact OD1-N 2.75Å; D242-S246 VanDerWaalsContact OD2-CB 3.3Å; D242-S246 WeakPolarHBondContact OD2-CB 3.43Å; D242-S246 PolarHBondContact OD2-OG 3.01Å
243K90.9Very high80.3Confident121 Ų12171.3 Ų71.353%0.52638%0.375SS..THydrogen-bonded Turntrans-61.5-18.9179.569.2-172.5-177.6-172.70114.1F221 F222F221-K243 HydrophobicContact CB-CB 4.4Å; F221-K243 HydrophobicContact CD1-CB 4.23Å; F221-K243 HydrophobicContact CD1-CG 4.44Å; F222-K243 PolarHBondContact N-O 3.33Å; F222-K243 VanDerWaalsContact N-O 3.14Å
244Y91.4Very high79.7Confident135 Ų13570.9 Ų70.953%0.52939%0.385SS..THydrogen-bonded Turntrans-97.5-6.7179.4-57.5-75000113.1P188 F221 F222 D242P188-Y244 HydrophobicContact CG-CD1 4.09Å; F221-Y244 HydrophobicContact CE1-CE1 4.49Å; F222-Y244 VanDerWaalsContact CD2-O 3.3Å; F222-Y244 WeakPolarHBondContact CD2-O 3.3Å; F222-Y244 WeakPolarHBondContact CE2-O 3.43Å; D242-Y244 PolarHBondContact O-N 3.3Å; D242-Y244 VanDerWaalsContact O-N 3.11Å; D242-Y244 VanDerWaalsContact OD1-C 3.3Å; D242-Y244 VanDerWaalsContact OD1-CA 3.3Å; D242-Y244 WeakPolarHBondContact OD1-CA 3.45Å; D242-Y244 WeakPolarHBondContact OD1-CB 3.39Å; D242-Y244 PolarHBondContact OD1-N 3.47Å
245G90.2Very high78.8Confident28 Ų2866 Ų6629%0.28938%0.382SS..SBendtrans95.18.217700000114.6F222 D242F222-G245 VanDerWaalsContact CD2-N 3.33Å; D242-G245 PolarHBondContact O-N 3.4Å; D242-G245 PolarHBondContact OD1-N 3.32Å
246S90.8Very high77.7Confident67 Ų6762.6 Ų62.647%0.46937%0.371SS..PPolyproline II helixtrans-76.8134.3175.3-48.10000110.2V241 D242V241-S246 CarbonylContact C-O 3.06Å; V241-S246 WeakPolarHBondContact CA-O 3.44Å; V241-S246 WeakPolarHBondContact CB-O 3.5Å; D242-S246 PolarHBondContact N-O 2.84Å; D242-S246 PolarHBondContact OD1-N 2.75Å; D242-S246 VanDerWaalsContact OD2-CB 3.3Å; D242-S246 WeakPolarHBondContact OD2-CB 3.43Å; D242-S246 PolarHBondContact OD2-OG 3.01Å
247Q88.2Confident76.9Confident99 Ų9967.7 Ų67.746%0.46340%0.397SS..BIsolated β-bridgetrans-67.9134.5-178.8-173.5172.10.500111.3C240 Y253C240-Q247 WeakPolarHBondContact O-CA 3.35Å; Q247-Y253 PolarHBondContact NE2-OH 3.34Å
248V84.2Confident76.5Confident28 Ų2864.1 Ų64.117%0.1738%0.378CS..PPolyproline II helixtrans-81.5130.7178.1-176.80000109.7C240 T251 L263C240-V248 HydrophobicContact CB-CB 4.37Å; C240-V248 HydrophobicContact CB-CG2 4.44Å; C240-V248 PolarHBondContact O-N 3.09Å; V248-T251 PolarHBondContact O-OG1 3.4Å; V248-L263 HydrophobicContact CG1-CD1 4.11Å
249P76.8Confident76Confident122 Ų12271.2 Ų71.279%0.79241%0.411SS*.THydrogen-bonded Turntrans-57147.9177.7-23.232.7000113T251P249-T251 PolarHBondContact O-N 3.47Å
250G67.8Low75.7Confident86 Ų8671 Ų7189%0.88741%0.414SS*.THydrogen-bonded Turntrans80.49.1173.900000115.9D252G250-D252 PolarHBondContact O-N 2.96Å
251T63.5Low75.1Confident30 Ų3079.1 Ų79.118%0.18445%0.449CS..  trans-97.981.8178.254.50000110.7C240 V248 P249 I258C240-T251 HydrophobicContact CB-CG2 3.71Å; V248-T251 PolarHBondContact O-OG1 3.4Å; P249-T251 PolarHBondContact O-N 3.47Å; T251-I258 HydrophobicContact CG2-CD1 4.18Å
252D55.1Low73.8Confident129 Ų12984.6 Ų84.669%0.6948%0.478SS*.  trans-82.9150.2179.8-152.3-3.4000112.4G250 S254G250-D252 PolarHBondContact O-N 2.96Å; D252-S254 VanDerWaalsContact C-N 3.28Å; D252-S254 PolarHBondContact O-N 3.46Å
253Y60.4Low72.3Confident120 Ų12088.1 Ų88.147%0.47150%0.496SS..  trans-73.753.9-158.4-63-76.6000115.3I237 W239 Q247 G255I237-Y253 HydrophobicContact CG2-CD1 3.16Å; I237-Y253 HydrophobicContact CG2-CE1 3.81Å; I237-Y253 HydrophobicContact CG2-CG 3.98Å; W239-Y253 HydrophobicContact CB-CE1 4.25Å; Q247-Y253 PolarHBondContact NE2-OH 3.34Å; Y253-G255 PolarHBondContact O-N 3.27Å
254S53.5Low70.4Confident80 Ų8091.3 Ų91.356%0.55951%0.513SS*.  trans-74.3109.1172.755.60000110.2D252 G256D252-S254 VanDerWaalsContact C-N 3.28Å; D252-S254 PolarHBondContact O-N 3.46Å; S254-G256 PolarHBondContact O-N 3.39Å
255G54.3Low68Low63 Ų6390 Ų9065%0.64952%0.523SS*.SBendtrans-43.7130.3-170.600000115.4Y253 D257Y253-G255 PolarHBondContact O-N 3.27Å; G255-D257 PolarHBondContact O-N 2.93Å
256G55.5Low65.5Low6 Ų694.1 Ų94.16%0.06255%0.548CS..SBendtrans73.4-40.2167.300000116.8K225 S254K225-G256 PolarHBondContact NZ-O 3.34Å; S254-G256 PolarHBondContact O-N 3.39Å
257D61.8Low63Low114 Ų11496.3 Ų96.361%0.6156%0.563SS**  trans-113.831.7-164.4-152.721000114.7G255 Q259G255-D257 PolarHBondContact O-N 2.93Å; D257-Q259 PolarHBondContact O-N 3.27Å
258I75.3Confident60.9Low16 Ų1699 Ų998%0.08258%0.579CS.*  trans-66.1125.4169.2-172.8168.9000110.5K225 C238 C240 T251K225-I258 HydrophobicContact CD-CG2 4.01Å; K225-I258 HydrophobicContact CG-CG2 4.23Å; K225-I258 PolarHBondContact NZ-O 3.05Å; C238-I258 HydrophobicContact CB-CG2 3.65Å; C240-I258 WeakPolarHBondContact SG-CD1 3.48Å; T251-I258 HydrophobicContact CG2-CD1 4.18Å
259Q76.3Confident58.6Low157 Ų157105 Ų10573%0.73461%0.61SS**  trans-97.7111.6170-65.5-163.2700109.7D257 K261D257-Q259 PolarHBondContact O-N 3.27Å; Q259-K261 PolarHBondContact O-N 3.43Å
260C81.8Confident56.5Low27 Ų27112.2 Ų112.218%0.18263%0.634CS.*  trans-85.195.5175.3-570000108.6R224 C240R224-C260 HydrophobicContact CB-CB 4.25Å; R224-C260 WeakPolarHBondContact CD-O 3.48Å; R224-C260 HydrophobicContact CG-CB 3.65Å; R224-C260 PolarHBondContact NE-O 3.35Å; C240-C260 VanDerWaalsContact CA-SG 3.53Å; C240-C260 HydrophobicContact CB-CB 3.84Å; C240-C260 WeakPolarHBondContact CB-SG 3.5Å; C240-C260 WeakPolarHBondContact SG-CA 3.41Å; C240-C260 WeakPolarHBondContact SG-CB 3.18Å; C240-C260 CovalentContact SG-SG 2.03Å; C240-C260 PolarHBondContact SG-SG 3.49Å
261K76.3Confident55.9Low173 Ų173113.6 Ų113.675%0.75262%0.621SS**  trans-65.3141.1175.1-67.7-177.4179.2-177.20110.7R224 Q259R224-K261 PolarHBondContact NE-O 3.49Å; R224-K261 PolarHBondContact NH2-O 3.28Å; Q259-K261 PolarHBondContact O-N 3.43Å
262D64.5Low55.5Low117 Ų117117.9 Ų117.963%0.62664%0.644SS**  trans-66.8133.3171.8-63.1-50.1000111.5R224 E264R224-D262 WeakPolarHBondContact CD-OD1 3.49Å; R224-D262 VanDerWaalsContact CZ-CA 3.42Å; R224-D262 IonicContact CZ-OD1 3.25Å; R224-D262 IonicContact NE-OD1 3.57Å; R224-D262 IonicContact NH1-OD1 2.91Å; R224-D262 PolarHBondContact NH1-OD1 3.29Å; D262-E264 PolarHBondContact O-N 3.48Å
263L58.8Low55.5Low133 Ų133117.3 Ų117.370%0.69664%0.641SS**SBendtrans-88.711.1-179.1-79.1172000111.3R224 V248 S265R224-L263 VanDerWaalsContact NH2-N 3.17Å; V248-L263 HydrophobicContact CG1-CD1 4.11Å; L263-S265 PolarHBondContact O-N 3.22Å
264E51.6Low55.2Low187 Ų187117.2 Ų117.287%0.87465%0.651SS**  trans-99.169.9175.1-79.2-179.4157.500110.1D262D262-E264 PolarHBondContact O-N 3.48Å
265S40.9Very low55.3Low107 Ų107119.5 Ų119.575%0.74866%0.657SS**SBendtrans-159.139.5160.280.60000113L263L263-S265 PolarHBondContact O-N 3.22Å
266S37.3Very low55.4Low116 Ų116123.3 Ų123.381%0.81166%0.658SS**SBendtrans-143.241.5176.1-47.10000112.6
267S39.8Very low55.4Low112 Ų112131.6 Ų131.678%0.78370%0.7SS**SBendtrans-147.752.116855.10000110.8
268I42.6Very low54.9Low155 Ų155133 Ų13380%0.79571%0.707SS**SBendtrans-142.997.7153.2-54.4179.7000105.7
269N36.9Very low53.2Low155 Ų155142.8 Ų142.883%0.82976%0.759SS**  trans154.576.1151.7-78-10.5000108.8
270E31.7Very low51.1Low274 Ų274141.5 Ų141.5100%1.2876%0.762SS**  trans-148.10134.8-135.8174.5134.100108.7

Retrieved 270 of 270 residues in 366.2 ms (Link to these results)