A0A087XIY5_POEFO Loading...

Cytokine receptor common subunit beta-like

AlphaFold DB , UniProt , Accession A0A087XIY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 700 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
1M53Low44.6Very low211 Ų211140.2 Ų140.2100%1.03973%0.725SS**  0-61.60-61.3-49.2-9600112.7L3 L4M1-L3 PolarHBondContact O-N 3.1Å; M1-L4 PolarHBondContact O-N 2.66Å
2A49.5Very low43.7Very low74 Ų74139.8 Ų139.861%0.61272%0.723SS**Hα-helixtrans-57.7-44.3-17400000116.1L4 Q5A2-L4 VanDerWaalsContact C-N 3.29Å; A2-L4 PolarHBondContact O-N 3.01Å; A2-Q5 PolarHBondContact O-N 3.37Å
3L45.4Very low43.1Very low144 Ų144137.7 Ų137.775%0.75472%0.724SS**Hα-helixtrans-64.8-26.6-177.1-95.293.6000114.7M1 Q5 V6M1-L3 PolarHBondContact O-N 3.1Å; L3-Q5 VanDerWaalsContact C-N 3.32Å; L3-Q5 PolarHBondContact O-N 3.13Å; L3-V6 PolarHBondContact O-N 3.12Å
4L45.5Very low42.3Very low141 Ų141137.7 Ų137.774%0.73873%0.725SS**Hα-helixtrans-72.7-28.1-174.9-138.579.2000112.3M1 A2 V6 M8M1-L4 PolarHBondContact O-N 2.66Å; A2-L4 VanDerWaalsContact C-N 3.29Å; A2-L4 PolarHBondContact O-N 3.01Å; L4-V6 VanDerWaalsContact C-N 3.34Å; L4-M8 WeakPolarHBondContact O-CG 3.45Å
5Q44.7Very low41.9Very low142 Ų142137.6 Ų137.666%0.66474%0.736SS**Hα-helixtrans-73.8-25.3177.7-70.2177.6-73.200112.6A2 L3 W9A2-Q5 PolarHBondContact O-N 3.37Å; L3-Q5 VanDerWaalsContact C-N 3.32Å; L3-Q5 PolarHBondContact O-N 3.13Å; Q5-W9 VanDerWaalsContact O-CD1 3.25Å
6V47.6Very low41.6Very low97 Ų97133.4 Ų133.459%0.58873%0.726SS**Hα-helixtrans-76.6-41.1-179.9-175.30000111.6L3 L4 M8 W9L3-V6 PolarHBondContact O-N 3.12Å; L4-V6 VanDerWaalsContact C-N 3.34Å; V6-M8 VanDerWaalsContact C-N 3.32Å; V6-M8 PolarHBondContact O-N 3.02Å; V6-W9 PolarHBondContact O-N 3.34Å
7L42.1Very low41.2Very low114 Ų114135.2 Ų135.260%0.59773%0.734SS**Hα-helixtrans-66.1-32.4176.3-92.585000113W9 L10L7-W9 PolarHBondContact O-N 2.89Å; L7-W9 VanDerWaalsContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 3.37Å
8M40.4Very low40.8Very low137 Ų137137.4 Ų137.468%0.67574%0.744SS**THydrogen-bonded Turntrans-64.9-15.8178.7-74.8-65.8-61.800114.1L4 V6L4-M8 WeakPolarHBondContact O-CG 3.45Å; V6-M8 VanDerWaalsContact C-N 3.32Å; V6-M8 PolarHBondContact O-N 3.02Å
9W38.5Very low40.4Very low219 Ų219136.3 Ų136.383%0.8375%0.747SS**THydrogen-bonded Turntrans-90.5-5174.1-76.462.2000113.5Q5 V6 L7Q5-W9 VanDerWaalsContact O-CD1 3.25Å; V6-W9 PolarHBondContact O-N 3.34Å; L7-W9 PolarHBondContact O-N 2.89Å; L7-W9 VanDerWaalsContact O-N 3.15Å
10L39.8Very low40.2Very low141 Ų141132.1 Ų132.174%0.73874%0.737SS**SBendtrans-102.50.2-179.7-70.7168.3000114L7L7-L10 PolarHBondContact O-N 3.37Å
11V43.8Very low40.2Very low122 Ų122131 Ų13174%0.73974%0.736SS**SBendtrans-124.317.4-179.4-154.70000112.4P13V11-P13 WeakPolarHBondContact O-CD 3.47Å
12L34.3Very low40Very low135 Ų135123.5 Ų123.571%0.70770%0.7SS**SBendtrans-83.5114.8161.3-81.3165.7000108.3N14L12-N14 PolarHBondContact O-N 2.85Å
13P35.4Very low40.3Very low113 Ų113127.4 Ų127.473%0.73470%0.699SS**  trans-64.3132.3172.427.5-33.1000109.1V11 P15V11-P13 WeakPolarHBondContact O-CD 3.47Å; P13-P15 WeakPolarHBondContact O-CD 3.4Å
14N31.7Very low41.2Very low138 Ų138123.2 Ų123.274%0.73868%0.681SS**  trans-51.5125.3175-96.4-35.8000110.3L12 A16L12-N14 PolarHBondContact O-N 2.85Å; N14-A16 HydrophobicContact CB-CB 4.16Å; N14-A16 PolarHBondContact O-N 3.24Å
15P36.8Very low42.2Very low136 Ų136120 Ų12088%0.88368%0.682SS**SBendtrans-75.246.2170.133.4-35.6000111.2P13P13-P15 WeakPolarHBondContact O-CD 3.4Å
16A36.6Very low43.4Very low70 Ų70116.2 Ų116.258%0.57967%0.669SS**  trans-120.816.1-178.600000112.1N14N14-A16 HydrophobicContact CB-CB 4.16Å; N14-A16 PolarHBondContact O-N 3.24Å
17L36.1Very low44.5Very low165 Ų165119.2 Ų119.286%0.86468%0.676SS**SBendtrans-13257.7175-78.2176.1000111.2
18L34.1Very low45.8Very low175 Ų175119.4 Ų119.492%0.91668%0.677SS**  trans-15731.4162.9-112.9166.7000113G20L18-G20 PolarHBondContact O-N 3Å
19S31.9Very low47.1Very low115 Ų115114 Ų11480%0.80465%0.654SS**  trans-84.2108.2169.2-550000109.7
20G36.3Very low48.2Very low52 Ų52107.7 Ų107.754%0.53664%0.643SS.*  trans-62.8170.6171.600000113L18 D22L18-G20 PolarHBondContact O-N 3Å; G20-D22 PolarHBondContact O-N 3.28Å; G20-D22 VanDerWaalsContact O-N 3.1Å
21P41.5Very low49Very low110 Ų110106.5 Ų106.571%0.71465%0.646SS**SBendtrans-65.8-14.3-172.425-34.1000115.3R23P21-R23 PolarHBondContact O-N 2.61Å
22D47.5Very low49.7Very low54 Ų54102.9 Ų102.929%0.28963%0.626SS.*  trans-80.592.4-177.2-71.3-12.8000113.1G20 K69 S75G20-D22 PolarHBondContact O-N 3.28Å; G20-D22 VanDerWaalsContact O-N 3.1Å; D22-K69 IonicContact OD2-NZ 2.69Å; D22-S75 WeakPolarHBondContact OD2-CB 3.43Å; D22-S75 PolarHBondContact OD2-OG 3.15Å
23R55.6Low50.8Low155 Ų155105.3 Ų105.359%0.58564%0.64SS**  trans-84.7-13.7168.7-69.1-173.9174-156.9-2.5114.6P21 C120P21-R23 PolarHBondContact O-N 2.61Å; R23-C120 WeakPolarHBondContact CB-O 2.92Å
24C65.1Low52Low56 Ų56103 Ų10338%0.37864%0.637SS.*SBendtrans-87.4125.1176.1-76.50000110.7C120C24-C120 HydrophobicContact CB-CB 3.98Å; C24-C120 WeakPolarHBondContact CB-SG 2.95Å; C24-C120 VanDerWaalsContact SG-CA 3.54Å; C24-C120 WeakPolarHBondContact SG-CB 3.46Å; C24-C120 CovalentContact SG-SG 2.04Å; C24-C120 PolarHBondContact SG-SG 3.49Å
25G65.9Low54Low75 Ų7599.4 Ų99.477%0.77362%0.617SS**PPolyproline II helixtrans-69.2135.5169.300000110.9
26V71.1Confident56Low62 Ų6294.5 Ų94.538%0.37659%0.585SS.*PPolyproline II helixtrans-80.5121.8172-177.80000108K69 A108 F110V26-K69 HydrophobicContact CG2-CD 3.79Å; V26-A108 HydrophobicContact CG1-CB 4Å; V26-F110 HydrophobicContact CG1-CD1 4.25Å; V26-F110 HydrophobicContact CG2-CD1 3.87Å; V26-F110 HydrophobicContact CG2-CE1 3.9Å; V26-F110 HydrophobicContact CG2-CG 4.41Å; V26-F110 HydrophobicContact CG2-CZ 4.46Å
27H69.7Low58.2Low159 Ų15995.4 Ų95.474%0.73659%0.585SS**  trans-106.9128.5179.5-179.857.7000110.2S29H27-S29 PolarHBondContact O-N 3.06Å
28D70.7Confident60.5Low118 Ų11891.7 Ų91.763%0.63156%0.56SS**  trans-74.2113.5173.5-172.8-9.9000109.9S30D28-S30 WeakPolarHBondContact OD1-CB 3.13Å; D28-S30 PolarHBondContact OD1-N 3.25Å; D28-S30 PolarHBondContact OD1-OG 3.26Å; D28-S30 PolarHBondContact OD2-OG 3.49Å
29S66.5Low62.9Low25 Ų2585.3 Ų85.318%0.17553%0.526CS..  trans-103.79.2-177.742.50000113.2H27 S31 S32 M35H27-S29 PolarHBondContact O-N 3.06Å; S29-S31 PolarHBondContact O-N 2.71Å; S29-S31 VanDerWaalsContact O-N 3.08Å; S29-S32 WeakPolarHBondContact CB-OG 3.19Å; S29-S32 WeakPolarHBondContact O-CB 3.49Å; S29-S32 PolarHBondContact O-N 2.93Å; S29-S32 PolarHBondContact O-OG 2.91Å; S29-M35 PolarHBondContact OG-SD 3.11Å; S29-M35 VanDerWaalsContact OG-SD 3.41Å
30S61.3Low65.4Low86 Ų8687.2 Ų87.260%0.60152%0.523SS*.THydrogen-bonded Turntrans-56.7-24.3-174.9560000115.4D28D28-S30 WeakPolarHBondContact OD1-CB 3.13Å; D28-S30 PolarHBondContact OD1-N 3.25Å; D28-S30 PolarHBondContact OD1-OG 3.26Å; D28-S30 PolarHBondContact OD2-OG 3.49Å
31S57.4Low67.8Low115 Ų11586.2 Ų86.280%0.80451%0.507SS*.THydrogen-bonded Turntrans-1047.7178.458.10000114.3S29S29-S31 PolarHBondContact O-N 2.71Å; S29-S31 VanDerWaalsContact O-N 3.08Å
32S58.6Low70Confident47 Ų4782.6 Ų82.633%0.32948%0.482SS..  trans-104.3142.1-169.277.80000114.2S29 G34S29-S32 WeakPolarHBondContact CB-OG 3.19Å; S29-S32 WeakPolarHBondContact O-CB 3.49Å; S29-S32 PolarHBondContact O-N 2.93Å; S29-S32 PolarHBondContact O-OG 2.91Å; S32-G34 PolarHBondContact O-N 3.43Å
33N56.9Low72Confident185 Ų18584.8 Ų84.899%0.98949%0.49SS*.THydrogen-bonded Turntrans-69.87.6171.7-67.4-14000114
34G60.5Low73.6Confident66 Ų6679.7 Ų79.768%0.6848%0.478SS*.THydrogen-bonded Turntrans-11411.6-177.500000114.5S32 S36S32-G34 PolarHBondContact O-N 3.43Å; G34-S36 PolarHBondContact O-N 3.25Å
35M74.9Confident74.7Confident62 Ų6282.3 Ų82.331%0.30548%0.484SS..  trans-57.3133.3-178.9-166.463.4138.400111.8S29 L39 Q40S29-M35 PolarHBondContact OG-SD 3.11Å; S29-M35 VanDerWaalsContact OG-SD 3.41Å; M35-L39 HydrophobicContact CE-CB 3.82Å; M35-L39 HydrophobicContact CG-CB 4Å; M35-L39 HydrophobicContact SD-CB 3.54Å; M35-L39 VanDerWaalsContact SD-CB 3.54Å; M35-L39 HydrophobicContact SD-CD1 3.89Å; M35-L39 HydrophobicContact SD-CG 4.31Å; M35-Q40 HydrophobicContact CG-CB 4.27Å
36S78.8Confident75.8Confident32 Ų3282.7 Ų82.722%0.22447%0.469CS..  trans-72.3151.3179.678.90000111.6G34 W38 L39 Q40G34-S36 PolarHBondContact O-N 3.25Å; S36-W38 PolarHBondContact O-N 3.16Å; S36-W38 VanDerWaalsContact O-N 3.13Å; S36-L39 PolarHBondContact O-N 3.19Å; S36-L39 VanDerWaalsContact O-N 3.13Å; S36-L39 WeakPolarHBondContact OG-CG 3.42Å; S36-L39 PolarHBondContact OG-N 3.18Å; S36-Q40 WeakPolarHBondContact O-CB 3.19Å; S36-Q40 PolarHBondContact O-N 2.94Å
37P82.1Confident76.5Confident90 Ų9082.3 Ų82.358%0.58446%0.464SS*.Hα-helixtrans-57.8-30.7179.6-2735.7000113.8S41P37-S41 WeakPolarHBondContact O-CB 3.44Å; P37-S41 PolarHBondContact O-N 3.21Å; P37-S41 PolarHBondContact O-OG 2.82Å
38W83.4Confident77.3Confident87 Ų8781.1 Ų81.133%0.3346%0.455SS..Hα-helixtrans-71.3-47177.3-44.3-46.5000111S36 Q40 S41 L42 P59 L64 F111S36-W38 PolarHBondContact O-N 3.16Å; S36-W38 VanDerWaalsContact O-N 3.13Å; W38-Q40 VanDerWaalsContact C-N 3.34Å; W38-Q40 PolarHBondContact O-N 3.18Å; W38-S41 PolarHBondContact O-N 2.87Å; W38-S41 PolarHBondContact O-OG 2.78Å; W38-L42 PolarHBondContact O-N 3.24Å; W38-P59 HydrophobicContact CZ2-CG 4.23Å; W38-L64 HydrophobicContact CD2-CD1 3.56Å; W38-L64 HydrophobicContact CE3-CD1 3.54Å; W38-L64 HydrophobicContact CG-CD1 4.25Å; W38-L64 HydrophobicContact CH2-CD1 3.84Å; W38-L64 HydrophobicContact CH2-CD2 4.47Å; W38-L64 HydrophobicContact CZ2-CD1 3.85Å; W38-L64 HydrophobicContact CZ3-CD1 3.68Å; W38-L64 HydrophobicContact CZ3-CD2 4.1Å; W38-F111 HydrophobicContact CB-CD2 4.3Å; W38-F111 HydrophobicContact CB-CE1 4.05Å; W38-F111 HydrophobicContact CB-CE2 3.81Å; W38-F111 HydrophobicContact CB-CZ 3.67Å
39L84.8Confident77.9Confident40 Ų4083.3 Ų83.321%0.20946%0.458CS..Hα-helixtrans-63.5-37.9173.9-73.6166.7000112.1M35 S36 S41 L42 F111M35-L39 HydrophobicContact CE-CB 3.82Å; M35-L39 HydrophobicContact CG-CB 4Å; M35-L39 HydrophobicContact SD-CB 3.54Å; M35-L39 VanDerWaalsContact SD-CB 3.54Å; M35-L39 HydrophobicContact SD-CD1 3.89Å; M35-L39 HydrophobicContact SD-CG 4.31Å; S36-L39 PolarHBondContact O-N 3.19Å; S36-L39 VanDerWaalsContact O-N 3.13Å; S36-L39 WeakPolarHBondContact OG-CG 3.42Å; S36-L39 PolarHBondContact OG-N 3.18Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.49Å; L39-L42 HydrophobicContact CD2-CD2 4.35Å; L39-L42 WeakPolarHBondContact O-CB 2.97Å; L39-L42 PolarHBondContact O-N 3.13Å; L39-F111 HydrophobicContact CD2-CD2 3.99Å; L39-F111 HydrophobicContact CD2-CE2 3.7Å; L39-F111 HydrophobicContact CG-CD2 3.99Å; L39-F111 HydrophobicContact CG-CE2 3.79Å
40Q84.9Confident78.9Confident156 Ų15686 Ų8673%0.72947%0.474SS*.Hα-helixtrans-67.1-29.5176.3-167.7-176.524.200112.7M35 S36 W38M35-Q40 HydrophobicContact CG-CB 4.27Å; S36-Q40 WeakPolarHBondContact O-CB 3.19Å; S36-Q40 PolarHBondContact O-N 2.94Å; W38-Q40 VanDerWaalsContact C-N 3.34Å; W38-Q40 PolarHBondContact O-N 3.18Å
41S86.1Confident80.1Confident30 Ų3083.2 Ų83.221%0.2145%0.451CS..THydrogen-bonded Turntrans-90.9-4.3176.272.50000114.2P37 W38 L39 K57P37-S41 WeakPolarHBondContact O-CB 3.44Å; P37-S41 PolarHBondContact O-N 3.21Å; P37-S41 PolarHBondContact O-OG 2.82Å; W38-S41 PolarHBondContact O-N 2.87Å; W38-S41 PolarHBondContact O-OG 2.78Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 3.49Å; S41-K57 PolarHBondContact OG-N 3.17Å
42L88.3Confident81.6Confident34 Ų3478.1 Ų78.118%0.17842%0.415CS..  trans-73.8130.5-175.4-177.867.6000111W38 L39 C54 K55 W56 V109W38-L42 PolarHBondContact O-N 3.24Å; L39-L42 HydrophobicContact CD2-CD2 4.35Å; L39-L42 WeakPolarHBondContact O-CB 2.97Å; L39-L42 PolarHBondContact O-N 3.13Å; L42-C54 HydrophobicContact CD1-CB 4.18Å; L42-K55 WeakPolarHBondContact CA-O 3.18Å; L42-W56 HydrophobicContact CB-CB 4.43Å; L42-W56 HydrophobicContact CD1-CB 4.05Å; L42-W56 HydrophobicContact CD1-CE3 4.2Å; L42-V109 HydrophobicContact CD2-CB 3.69Å; L42-V109 HydrophobicContact CD2-CG1 3.7Å; L42-V109 HydrophobicContact CD2-CG2 4.16Å
43Q88.6Confident83.1Confident101 Ų10178.3 Ų78.347%0.47241%0.412SS..EExtended strand (participates in β ladder)trans-132.1123.4172.4-66-179-0.800108.2C54 K55Q43-C54 WeakPolarHBondContact O-CA 3.37Å; Q43-K55 HydrophobicContact CB-CD 4.49Å; Q43-K55 VanDerWaalsContact CB-CE 3.47Å; Q43-K55 HydrophobicContact CB-CG 4.02Å; Q43-K55 PolarHBondContact N-O 3.32Å; Q43-K55 PolarHBondContact O-N 2.91Å
44C89.1Confident84.6Confident48 Ų4869.6 Ų69.632%0.32437%0.366SS..EExtended strand (participates in β ladder)trans-122.1138.2177.7-61.20000110.6V52 D53 C54C44-V52 HydrophobicContact CB-CG1 4.13Å; C44-D53 CarbonylContact C-O 3.53Å; C44-D53 VanDerWaalsContact CA-O 3.27Å; C44-D53 WeakPolarHBondContact CA-O 3.27Å; C44-C54 HydrophobicContact CB-CB 4.19Å; C44-C54 WeakPolarHBondContact CB-SG 3.14Å; C44-C54 WeakPolarHBondContact SG-CB 3.41Å; C44-C54 CovalentContact SG-SG 2.04Å; C44-C54 PolarHBondContact SG-SG 2.95Å
45H89.2Confident85.9Confident111 Ų11169.8 Ų69.851%0.51435%0.348SS..EExtended strand (participates in β ladder)trans-135.9158179.4-51.5-66000108.7V52 D53H45-V52 CarbonylContact O-C 3.55Å; H45-V52 WeakPolarHBondContact O-CA 3.49Å; H45-V52 WeakPolarHBondContact O-CG1 3.34Å; H45-D53 PolarHBondContact N-O 3.35Å; H45-D53 PolarHBondContact O-N 3.03Å
46N88Confident86.5Confident83 Ų8367.1 Ų67.144%0.44434%0.335SS..EExtended strand (participates in β ladder)trans-136.8157.8-179.769.485000111.6Y48 H51 V52 L101N46-Y48 VanDerWaalsContact C-N 3.28Å; N46-Y48 WeakPolarHBondContact OD1-CA 3Å; N46-Y48 PolarHBondContact OD1-N 3.28Å; N46-H51 VanDerWaalsContact CA-O 3.26Å; N46-H51 WeakPolarHBondContact CA-O 3.39Å; N46-H51 VanDerWaalsContact CB-O 3.27Å; N46-H51 WeakPolarHBondContact CB-O 3.38Å; N46-V52 HydrophobicContact CB-CB 4.4Å; N46-V52 HydrophobicContact CB-CG1 4.49Å; N46-V52 HydrophobicContact CB-CG2 4.01Å; N46-L101 HydrophobicContact CB-CD2 4.12Å
47D87.8Confident86.8Confident53 Ų5372.1 Ų72.128%0.28335%0.352SS..  trans-86.21.7178.474.6-22.8000113.7K49 T50 H51D47-K49 PolarHBondContact O-N 2.83Å; D47-K49 PolarHBondContact OD1-N 2.95Å; D47-T50 PolarHBondContact OD1-N 3.38Å; D47-T50 PolarHBondContact OD2-N 3.5Å; D47-T50 PolarHBondContact OD2-OG1 2.02Å; D47-H51 VanDerWaalsContact CG-ND1 3.34Å; D47-H51 PolarHBondContact N-O 2.93Å; D47-H51 VanDerWaalsContact N-O 3.17Å; D47-H51 PolarHBondContact OD1-N 3.43Å; D47-H51 IonicContact OD1-ND1 2.65Å; D47-H51 IonicContact OD2-CE1 2.74Å; D47-H51 PolarHBondContact OD2-CE1 3.11Å; D47-H51 IonicContact OD2-ND1 3.1Å; D47-H51 PolarHBondContact OD2-ND1 3.24Å
48Y85.3Confident86.5Confident135 Ų13568.7 Ų68.753%0.52933%0.332SS..SBendtrans52.826.5-172.1-145.9-103.5000114.5N46 L101 G102N46-Y48 VanDerWaalsContact C-N 3.28Å; N46-Y48 WeakPolarHBondContact OD1-CA 3Å; N46-Y48 PolarHBondContact OD1-N 3.28Å; Y48-L101 HydrophobicContact CD2-CB 4.33Å; Y48-G102 WeakPolarHBondContact OH-CA 3.41Å
49K84.4Confident85.9Confident164 Ų16467.3 Ų67.371%0.71333%0.334SS*.SBendtrans-142.8-44.9-177.9-64.1176.8-177.5177.20115.1D47D47-K49 PolarHBondContact O-N 2.83Å; D47-K49 PolarHBondContact OD1-N 2.95Å
50T85.9Confident84.9Confident80 Ų8071.7 Ų71.749%0.49136%0.363SS..SBendtrans-146.1-19.9-166.166.90000116D47 K97 T98D47-T50 PolarHBondContact OD1-N 3.38Å; D47-T50 PolarHBondContact OD2-N 3.5Å; D47-T50 PolarHBondContact OD2-OG1 2.02Å; T50-K97 WeakPolarHBondContact O-CA 3.3Å; T50-T98 CarbonylContact C-O 3.07Å; T50-T98 VanDerWaalsContact CA-O 3.31Å; T50-T98 WeakPolarHBondContact CA-O 3.44Å; T50-T98 PolarHBondContact O-N 3.14Å; T50-T98 VanDerWaalsContact O-O 3.11Å
51H87Confident84Confident29 Ų2972.1 Ų72.113%0.13437%0.37CS..EExtended strand (participates in β ladder)trans-157.2155.6-175.360.9-78.8000115.8N46 D47 D53 R95 Y96N46-H51 VanDerWaalsContact CA-O 3.26Å; N46-H51 WeakPolarHBondContact CA-O 3.39Å; N46-H51 VanDerWaalsContact CB-O 3.27Å; N46-H51 WeakPolarHBondContact CB-O 3.38Å; D47-H51 VanDerWaalsContact CG-ND1 3.34Å; D47-H51 PolarHBondContact N-O 2.93Å; D47-H51 VanDerWaalsContact N-O 3.17Å; D47-H51 PolarHBondContact OD1-N 3.43Å; D47-H51 IonicContact OD1-ND1 2.65Å; D47-H51 IonicContact OD2-CE1 2.74Å; D47-H51 PolarHBondContact OD2-CE1 3.11Å; D47-H51 IonicContact OD2-ND1 3.1Å; D47-H51 PolarHBondContact OD2-ND1 3.24Å; H51-D53 IonicContact CD2-OD1 3.14Å; H51-D53 IonicContact CD2-OD2 3.3Å; H51-D53 IonicContact NE2-OD2 3.97Å; H51-R95 HydrophobicContact CB-CG 3.83Å; H51-R95 PolarHBondContact CD2-NE 2.83Å; H51-R95 PolarHBondContact CD2-NH2 2.92Å; H51-R95 PolarHBondContact NE2-NH1 2.84Å; H51-R95 PolarHBondContact NE2-NH2 3.38Å; H51-Y96 CarbonylContact C-O 3.6Å; H51-Y96 WeakPolarHBondContact CA-O 3.43Å; H51-Y96 VanDerWaalsContact CB-O 3.22Å; H51-Y96 WeakPolarHBondContact CB-O 3.44Å
52V89.2Confident83.1Confident8 Ų873 Ų735%0.04837%0.374CS..EExtended strand (participates in β ladder)trans-111.7121.2166.5-1710000108.3C44 H45 N46 L68 R95 Y96 T98 L101C44-V52 HydrophobicContact CB-CG1 4.13Å; H45-V52 CarbonylContact O-C 3.55Å; H45-V52 WeakPolarHBondContact O-CA 3.49Å; H45-V52 WeakPolarHBondContact O-CG1 3.34Å; N46-V52 HydrophobicContact CB-CB 4.4Å; N46-V52 HydrophobicContact CB-CG1 4.49Å; N46-V52 HydrophobicContact CB-CG2 4.01Å; V52-L68 HydrophobicContact CB-CD2 4.39Å; V52-L68 HydrophobicContact CG1-CD2 4.35Å; V52-R95 WeakPolarHBondContact O-CA 3.08Å; V52-Y96 PolarHBondContact N-O 2.79Å; V52-Y96 PolarHBondContact O-N 3.07Å; V52-T98 HydrophobicContact CG2-CG2 4.13Å; V52-L101 HydrophobicContact CG2-CD2 4.23Å
53D89.2Confident82.3Confident50 Ų5076.8 Ų76.827%0.26740%0.399SS..EExtended strand (participates in β ladder)trans-94.5124.8170.2-79.1-20.2000109.8C44 H45 H51 R95C44-D53 CarbonylContact C-O 3.53Å; C44-D53 VanDerWaalsContact CA-O 3.27Å; C44-D53 WeakPolarHBondContact CA-O 3.27Å; H45-D53 PolarHBondContact N-O 3.35Å; H45-D53 PolarHBondContact O-N 3.03Å; H51-D53 IonicContact CD2-OD1 3.14Å; H51-D53 IonicContact CD2-OD2 3.3Å; H51-D53 IonicContact NE2-OD2 3.97Å; D53-R95 VanDerWaalsContact CG-NH2 3.31Å; D53-R95 WeakPolarHBondContact OD1-CB 3.43Å; D53-R95 WeakPolarHBondContact OD1-CG 3.45Å; D53-R95 IonicContact OD1-CZ 2.69Å; D53-R95 VanDerWaalsContact OD1-CZ 3.3Å; D53-R95 IonicContact OD1-NE 3.5Å; D53-R95 PolarHBondContact OD1-NE 3.12Å; D53-R95 IonicContact OD1-NH2 3.5Å; D53-R95 PolarHBondContact OD1-NH2 2.66Å; D53-R95 VanDerWaalsContact OD1-NH2 3.14Å; D53-R95 IonicContact OD2-CZ 2.81Å; D53-R95 IonicContact OD2-NE 3.68Å; D53-R95 IonicContact OD2-NH2 3.71Å; D53-R95 PolarHBondContact OD2-NH2 2.89Å
54C88.8Confident81.7Confident2 Ų273 Ų731%0.01438%0.381CS..EExtended strand (participates in β ladder)trans-117.5139.3175.8-72.20000110.9L42 Q43 C44 Q93 C94L42-C54 HydrophobicContact CD1-CB 4.18Å; Q43-C54 WeakPolarHBondContact O-CA 3.37Å; C44-C54 HydrophobicContact CB-CB 4.19Å; C44-C54 WeakPolarHBondContact CB-SG 3.14Å; C44-C54 WeakPolarHBondContact SG-CB 3.41Å; C44-C54 CovalentContact SG-SG 2.04Å; C44-C54 PolarHBondContact SG-SG 2.95Å; C54-Q93 WeakPolarHBondContact O-CA 3.36Å; C54-C94 PolarHBondContact N-O 3.34Å; C54-C94 PolarHBondContact O-N 3.11Å
55K88.5Confident81.2Confident70 Ų7074.9 Ų74.930%0.30439%0.386SS..EExtended strand (participates in β ladder)trans-135143.3175.965.9-172.2174.41770110.6L42 Q43 V91 V92 Q93L42-K55 WeakPolarHBondContact CA-O 3.18Å; Q43-K55 HydrophobicContact CB-CD 4.49Å; Q43-K55 VanDerWaalsContact CB-CE 3.47Å; Q43-K55 HydrophobicContact CB-CG 4.02Å; Q43-K55 PolarHBondContact N-O 3.32Å; Q43-K55 PolarHBondContact O-N 2.91Å; K55-V91 HydrophobicContact CB-CG1 4.34Å; K55-V92 VanDerWaalsContact CA-O 3.27Å; K55-V92 WeakPolarHBondContact CA-O 3.32Å; K55-Q93 HydrophobicContact CB-CG 3.94Å
56W86.9Confident81Confident7 Ų770 Ų703%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-150.9164.1178.964.8101.4000110.6L42 V66 V91 V92 C94 F111L42-W56 HydrophobicContact CB-CB 4.43Å; L42-W56 HydrophobicContact CD1-CB 4.05Å; L42-W56 HydrophobicContact CD1-CE3 4.2Å; W56-V66 HydrophobicContact CD2-CG2 4.27Å; W56-V66 HydrophobicContact CE3-CG2 4.23Å; W56-V66 HydrophobicContact CH2-CB 4.2Å; W56-V66 HydrophobicContact CH2-CG2 3.38Å; W56-V66 HydrophobicContact CZ2-CG2 3.36Å; W56-V66 HydrophobicContact CZ3-CG2 3.84Å; W56-V91 WeakPolarHBondContact O-CA 3.47Å; W56-V92 HydrophobicContact CD2-CB 4.42Å; W56-V92 HydrophobicContact CH2-CB 4.12Å; W56-V92 HydrophobicContact CH2-CG1 3.54Å; W56-V92 HydrophobicContact CZ2-CB 3.7Å; W56-V92 HydrophobicContact CZ2-CG1 3.37Å; W56-V92 HydrophobicContact CZ3-CG1 4.35Å; W56-V92 PolarHBondContact N-O 3.38Å; W56-V92 VanDerWaalsContact N-O 3.1Å; W56-V92 PolarHBondContact O-N 2.02Å; W56-C94 HydrophobicContact CH2-CB 4.07Å; W56-C94 HydrophobicContact CZ3-CB 4.04Å; W56-C94 VanDerWaalsContact CZ3-SG 3.58Å; W56-F111 HydrophobicContact CB-CZ 4.46Å; W56-F111 AromaticContact CD1-CE1 3.76Å; W56-F111 HydrophobicContact CD2-CE1 4.1Å; W56-F111 HydrophobicContact CD2-CZ 4.42Å; W56-F111 AromaticContact CE2-CE1 3.94Å; W56-F111 HydrophobicContact CG-CE1 4.03Å; W56-F111 HydrophobicContact CG-CZ 4.06Å; W56-F111 AromaticContact NE1-CE1 3.68Å
57K85.2Confident80.8Confident136 Ų13668.6 Ų68.659%0.59135%0.352SS*.EExtended strand (participates in β ladder)trans-85.2120.3170.7-68.6-173.6175.6-171.80109.1S41 V91S41-K57 PolarHBondContact OG-N 3.17Å; K57-V91 HydrophobicContact CG-CG2 4.27Å
58A76.1Confident80.7Confident19 Ų1966.1 Ų66.116%0.15734%0.339CS..PPolyproline II helixtrans-101.1150.417900000111.3T62 G90 V92A58-T62 HydrophobicContact CB-CG2 3.88Å; A58-G90 PolarHBondContact N-O 3.39Å; A58-V92 HydrophobicContact CB-CB 4.29Å; A58-V92 HydrophobicContact CB-CG2 3.48Å; A58-V92 VanDerWaalsContact CB-CG2 3.48Å
59P69.8Low80.6Confident57 Ų5761.9 Ų61.937%0.3732%0.323SS..PPolyproline II helixtrans-60.9150.4159.4-16.831.3000110.1W38 N61 T62W38-P59 HydrophobicContact CZ2-CG 4.23Å; P59-N61 PolarHBondContact O-N 2.8Å; P59-T62 PolarHBondContact O-N 3.22Å
60T64.9Low80.2Confident133 Ų13354.7 Ų54.782%0.81629%0.292SS*.THydrogen-bonded Turntrans-57138.4166.739.40000110.1T62T60-T62 VanDerWaalsContact C-N 3.35Å; T60-T62 PolarHBondContact O-N 3.33Å
61N65Low79.3Confident165 Ų16555.9 Ų55.988%0.88230%0.295SS*.THydrogen-bonded Turntrans55.239.9-177.8-56.9-6.8000114.7P59P59-N61 PolarHBondContact O-N 2.8Å
62T68.3Low78.2Confident49 Ų4959.2 Ų59.230%0.30131%0.314SS..  trans-69.6144.1174.9-1620000113.1A58 P59 T60 L64A58-T62 HydrophobicContact CB-CG2 3.88Å; P59-T62 PolarHBondContact O-N 3.22Å; T60-T62 VanDerWaalsContact C-N 3.35Å; T60-T62 PolarHBondContact O-N 3.33Å; T62-L64 WeakPolarHBondContact OG1-CD1 2.96Å; T62-L64 VanDerWaalsContact OG1-CG 3.31Å; T62-L64 WeakPolarHBondContact OG1-CG 2.92Å; T62-L64 PolarHBondContact OG1-N 3.28Å
63T70.6Confident76.9Confident112 Ų11260.8 Ų60.869%0.68733%0.331SS*.  trans-109.815.9170.655.70000112.4Q65T63-Q65 PolarHBondContact O-N 3.18Å
64L75.6Confident76Confident21 Ų2164.8 Ų64.811%0.1134%0.343CS..PPolyproline II helixtrans-71.9119.6179-67.8168.4000111.2W38 T62 F111 M112 N113W38-L64 HydrophobicContact CD2-CD1 3.56Å; W38-L64 HydrophobicContact CE3-CD1 3.54Å; W38-L64 HydrophobicContact CG-CD1 4.25Å; W38-L64 HydrophobicContact CH2-CD1 3.84Å; W38-L64 HydrophobicContact CH2-CD2 4.47Å; W38-L64 HydrophobicContact CZ2-CD1 3.85Å; W38-L64 HydrophobicContact CZ3-CD1 3.68Å; W38-L64 HydrophobicContact CZ3-CD2 4.1Å; T62-L64 WeakPolarHBondContact OG1-CD1 2.96Å; T62-L64 VanDerWaalsContact OG1-CG 3.31Å; T62-L64 WeakPolarHBondContact OG1-CG 2.92Å; T62-L64 PolarHBondContact OG1-N 3.28Å; L64-F111 HydrophobicContact CB-CD1 4.35Å; L64-F111 HydrophobicContact CD1-CD1 4.48Å; L64-F111 HydrophobicContact CD2-CB 4.35Å; L64-M112 WeakPolarHBondContact CA-O 3.39Å; L64-N113 HydrophobicContact CD2-CB 4.29Å
65Q78.9Confident75.2Confident89 Ų8965.6 Ų65.642%0.41635%0.349SS..EExtended strand (participates in β ladder)trans-83.8134.5166.6-62.6179.1-1.900109.4T63 W67 F111 M112T63-Q65 PolarHBondContact O-N 3.18Å; Q65-W67 VanDerWaalsContact OE1-NE1 3.13Å; Q65-F111 WeakPolarHBondContact O-CA 3.4Å; Q65-M112 PolarHBondContact N-O 3.43Å; Q65-M112 PolarHBondContact O-N 3.1Å
66V85.2Confident74.8Confident7 Ų764.8 Ų64.84%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-93.6131171.8178.60000109.2W56 L68 C78 V109 F111W56-V66 HydrophobicContact CD2-CG2 4.27Å; W56-V66 HydrophobicContact CE3-CG2 4.23Å; W56-V66 HydrophobicContact CH2-CB 4.2Å; W56-V66 HydrophobicContact CH2-CG2 3.38Å; W56-V66 HydrophobicContact CZ2-CG2 3.36Å; W56-V66 HydrophobicContact CZ3-CG2 3.84Å; V66-L68 HydrophobicContact CG1-CD1 4.19Å; V66-C78 HydrophobicContact CB-CB 4.05Å; V66-C78 HydrophobicContact CG1-CB 3.92Å; V66-C78 WeakPolarHBondContact O-CB 3.32Å; V66-C78 PolarHBondContact O-N 3.38Å; V66-V109 HydrophobicContact CG1-CG1 3.64Å; V66-F111 HydrophobicContact CG2-CD1 3.66Å; V66-F111 HydrophobicContact CG2-CE1 3.48Å; V66-F111 VanDerWaalsContact CG2-CE1 3.48Å; V66-F111 HydrophobicContact CG2-CZ 4.4Å
67W84.6Confident74.6Confident55 Ų5567.5 Ų67.521%0.20837%0.365CS..EExtended strand (participates in β ladder)trans-123.7140.1179.8-73.175.8000109.6Q65 E76 P77 V109 F110Q65-W67 VanDerWaalsContact OE1-NE1 3.13Å; W67-E76 WeakPolarHBondContact CA-O 3.41Å; W67-P77 HydrophobicContact CD2-CB 4.34Å; W67-P77 HydrophobicContact CH2-CB 4.45Å; W67-P77 HydrophobicContact CH2-CG 4.41Å; W67-P77 HydrophobicContact CZ2-CB 4.21Å; W67-V109 WeakPolarHBondContact O-CA 3.29Å; W67-F110 HydrophobicContact CB-CD1 4.35Å; W67-F110 HydrophobicContact CB-CD2 4.03Å; W67-F110 HydrophobicContact CB-CE1 3.83Å; W67-F110 HydrophobicContact CB-CE2 3.46Å; W67-F110 VanDerWaalsContact CB-CE2 3.46Å; W67-F110 HydrophobicContact CB-CG 4.45Å; W67-F110 HydrophobicContact CB-CZ 3.36Å; W67-F110 HydrophobicContact CG-CE2 4.04Å; W67-F110 HydrophobicContact CG-CZ 4.18Å; W67-F110 PolarHBondContact N-O 3.25Å; W67-F110 PolarHBondContact O-N 2.91Å
68L86.1Confident74.5Confident0 Ų061.5 Ų61.50%034%0.34CS..EExtended strand (participates in β ladder)trans-112.5137.5172.3-8182000109.1V52 V66 S75 E76 C78 Y96 V109V52-L68 HydrophobicContact CB-CD2 4.39Å; V52-L68 HydrophobicContact CG1-CD2 4.35Å; V66-L68 HydrophobicContact CG1-CD1 4.19Å; L68-S75 CarbonylContact O-C 3.48Å; L68-S75 WeakPolarHBondContact O-CA 3.3Å; L68-E76 PolarHBondContact N-O 2.9Å; L68-E76 PolarHBondContact O-N 2.96Å; L68-C78 HydrophobicContact CD1-CB 3.6Å; L68-Y96 HydrophobicContact CB-CD1 4.14Å; L68-Y96 HydrophobicContact CB-CE1 4.45Å; L68-Y96 HydrophobicContact CB-CG 4.21Å; L68-Y96 HydrophobicContact CD2-CD1 3.8Å; L68-Y96 HydrophobicContact CD2-CG 4.01Å; L68-Y96 HydrophobicContact CG-CG 4.47Å; L68-V109 HydrophobicContact CD1-CG1 4.09Å; L68-V109 HydrophobicContact CD2-CG2 4.33Å; L68-V109 HydrophobicContact CG-CG1 4.3Å; L68-V109 HydrophobicContact CG-CG2 4.08Å
69K82.3Confident74.8Confident47 Ų4765.5 Ų65.520%0.20436%0.362CS..EExtended strand (participates in β ladder)trans-117.9125.3174.5-177.8170.5-1641270110.5D22 V26 G73 R74 A108 F110D22-K69 IonicContact OD2-NZ 2.69Å; V26-K69 HydrophobicContact CG2-CD 3.79Å; K69-G73 WeakPolarHBondContact CE-O 3.14Å; K69-G73 PolarHBondContact NZ-O 2.88Å; K69-R74 WeakPolarHBondContact CA-O 3.09Å; K69-A108 HydrophobicContact CB-CB 4.49Å; K69-A108 PolarHBondContact N-O 3.47Å; K69-A108 PolarHBondContact O-N 3.41Å; K69-F110 HydrophobicContact CB-CE1 3.95Å
70E75.9Confident75Confident13 Ų1368.9 Ų68.96%0.06137%0.372CS..EExtended strand (participates in β ladder)trans-86.3162.4174.3-65.1-175.6153.400111.1N72 G73 R74 Y96 T98E70-N72 WeakPolarHBondContact CB-OD1 3.28Å; E70-N72 PolarHBondContact O-N 3.3Å; E70-N72 PolarHBondContact OE2-ND2 3.41Å; E70-G73 PolarHBondContact O-N 3.28Å; E70-R74 PolarHBondContact N-O 2.95Å; E70-R74 VanDerWaalsContact N-O 3.16Å; E70-Y96 HydrophobicContact CG-CE1 4.33Å; E70-T98 WeakPolarHBondContact OE1-CB 3.47Å; E70-T98 PolarHBondContact OE1-OG1 3.36Å
71N67.6Low74.9Confident105 Ų10566 Ų6656%0.56135%0.349SS*.THydrogen-bonded Turntrans-55.8-20.4176.4-81-8.2000114.6G73 G104 N106N71-G73 PolarHBondContact O-N 3.02Å; N71-G104 PolarHBondContact ND2-O 3.2Å; N71-G104 VanDerWaalsContact ND2-O 3.1Å; N71-N106 PolarHBondContact ND2-N 3.3Å
72N62.8Low74.6Confident99 Ų9966.4 Ų66.453%0.52934%0.343SS..THydrogen-bonded Turntrans-74.7-1.8174.56028.3000113.6E70 R74E70-N72 WeakPolarHBondContact CB-OD1 3.28Å; E70-N72 PolarHBondContact O-N 3.3Å; E70-N72 PolarHBondContact OE2-ND2 3.41Å; N72-R74 VanDerWaalsContact C-N 3.32Å; N72-R74 WeakPolarHBondContact OD1-CB 3.37Å; N72-R74 PolarHBondContact OD1-N 2.71Å
73G63.5Low73.8Confident40 Ų4071.8 Ų71.841%0.41237%0.369SS..SBendtrans86.8-5.4179.100000114.8K69 E70 N71K69-G73 WeakPolarHBondContact CE-O 3.14Å; K69-G73 PolarHBondContact NZ-O 2.88Å; E70-G73 PolarHBondContact O-N 3.28Å; N71-G73 PolarHBondContact O-N 3.02Å
74R68.4Low73Confident135 Ų13575.5 Ų75.551%0.50938%0.379SS..  trans-78.7124.6-179.4-164.5166.8178.1-89.5-13.9110K69 E70 N72 E76K69-R74 WeakPolarHBondContact CA-O 3.09Å; E70-R74 PolarHBondContact N-O 2.95Å; E70-R74 VanDerWaalsContact N-O 3.16Å; N72-R74 VanDerWaalsContact C-N 3.32Å; N72-R74 WeakPolarHBondContact OD1-CB 3.37Å; N72-R74 PolarHBondContact OD1-N 2.71Å; R74-E76 VanDerWaalsContact CZ-CD 3.46Å; R74-E76 IonicContact CZ-OE1 3.92Å; R74-E76 IonicContact CZ-OE2 3.75Å; R74-E76 IonicContact NH1-OE1 3.99Å; R74-E76 PolarHBondContact NH1-OE1 2.6Å; R74-E76 IonicContact NH1-OE2 3.06Å; R74-E76 PolarHBondContact NH1-OE2 2.96Å; R74-E76 IonicContact NH2-OE1 3.64Å; R74-E76 PolarHBondContact NH2-OE1 3.03Å; R74-E76 IonicContact NH2-OE2 3.16Å
75S73.3Confident71.7Confident19 Ų1983.6 Ų83.613%0.13341%0.413CS..EExtended strand (participates in β ladder)trans-103.5134.2173.8-49.60000109.6D22 L68D22-S75 WeakPolarHBondContact OD2-CB 3.43Å; D22-S75 PolarHBondContact OD2-OG 3.15Å; L68-S75 CarbonylContact O-C 3.48Å; L68-S75 WeakPolarHBondContact O-CA 3.3Å
76E79.9Confident70.5Confident53 Ų5384.3 Ų84.325%0.24842%0.424CS..EExtended strand (participates in β ladder)trans-136.6150.5176.5-82.1-173.3135.200112.5W67 L68 R74 Y96W67-E76 WeakPolarHBondContact CA-O 3.41Å; L68-E76 PolarHBondContact N-O 2.9Å; L68-E76 PolarHBondContact O-N 2.96Å; R74-E76 VanDerWaalsContact CZ-CD 3.46Å; R74-E76 IonicContact CZ-OE1 3.92Å; R74-E76 IonicContact CZ-OE2 3.75Å; R74-E76 IonicContact NH1-OE1 3.99Å; R74-E76 PolarHBondContact NH1-OE1 2.6Å; R74-E76 IonicContact NH1-OE2 3.06Å; R74-E76 PolarHBondContact NH1-OE2 2.96Å; R74-E76 IonicContact NH2-OE1 3.64Å; R74-E76 PolarHBondContact NH2-OE1 3.03Å; R74-E76 IonicContact NH2-OE2 3.16Å; E76-Y96 HydrophobicContact CB-CD2 4.45Å; E76-Y96 HydrophobicContact CB-CE2 3.6Å; E76-Y96 HydrophobicContact CG-CE2 4.47Å; E76-Y96 WeakPolarHBondContact OE2-CE2 3.23Å; E76-Y96 PolarHBondContact OE2-OH 2.91Å
77P82.4Confident68.9Low64 Ų6487.6 Ų87.642%0.41644%0.444SS..EExtended strand (participates in β ladder)trans-74135.4179.130.9-34.4000111.2W67 V79W67-P77 HydrophobicContact CD2-CB 4.34Å; W67-P77 HydrophobicContact CH2-CB 4.45Å; W67-P77 HydrophobicContact CH2-CG 4.41Å; W67-P77 HydrophobicContact CZ2-CB 4.21Å; P77-V79 PolarHBondContact O-N 2.94Å
78C83.2Confident67.4Low10 Ų1095.3 Ų95.37%0.06848%0.479CS..  trans-79.1109.5173.3-165.70000109.4V66 L68 C94V66-C78 HydrophobicContact CB-CB 4.05Å; V66-C78 HydrophobicContact CG1-CB 3.92Å; V66-C78 WeakPolarHBondContact O-CB 3.32Å; V66-C78 PolarHBondContact O-N 3.38Å; L68-C78 HydrophobicContact CD1-CB 3.6Å; C78-C94 HydrophobicContact CB-CB 3.77Å; C78-C94 WeakPolarHBondContact CB-SG 3.43Å; C78-C94 WeakPolarHBondContact SG-CB 3.12Å; C78-C94 CovalentContact SG-SG 2.03Å; C78-C94 PolarHBondContact SG-SG 3.2Å
79V82.9Confident66.2Low103 Ų103101.5 Ų101.562%0.62451%0.512SS*.EExtended strand (participates in β ladder)trans-76.3138.7-173.3-175.10000110.4P77 F81 C94 R95P77-V79 PolarHBondContact O-N 2.94Å; V79-F81 PolarHBondContact O-N 3.47Å; V79-C94 CarbonylContact O-C 3.52Å; V79-C94 VanDerWaalsContact O-CA 3.28Å; V79-C94 WeakPolarHBondContact O-CA 3.19Å; V79-C94 WeakPolarHBondContact O-CB 3.38Å; V79-R95 PolarHBondContact N-O 2.75Å; V79-R95 PolarHBondContact O-N 2.79Å
80H72.9Confident65.6Low127 Ų127100.3 Ų100.359%0.58851%0.514SS*.EExtended strand (participates in β ladder)trans-57.6138.6177.8-72.1-60.5000112.3Q93H80-Q93 PolarHBondContact ND1-O 2.82Å
81F64.4Low65.8Low74 Ų74101.3 Ų101.333%0.32552%0.52SS..  trans-108.3105.8-176.2-171.3-117.3000111.2V79 R95V79-F81 PolarHBondContact O-N 3.47Å; F81-R95 HydrophobicContact CB-CB 3.9Å; F81-R95 HydrophobicContact CD2-CB 4.04Å; F81-R95 HydrophobicContact CG-CB 4.08Å
82K57.4Low66.4Low173 Ų17397.5 Ų97.575%0.75250%0.501SS*.SBendtrans74.9147.8-170.7-53.6179.6179.2179.30114.6
83D51.9Low67.4Low161 Ų16197.5 Ų97.586%0.86150%0.498SS*.SBendtrans-72.3130.2-174.8-54.5-69.6000113K85D83-K85 PolarHBondContact O-N 3.16Å
84E54.3Low68.5Low191 Ų19195.7 Ų95.789%0.89348%0.478SS*.SBendtrans25.562.2154.4-155.7165.6-130.400118.2
85K48.3Very low69.4Low190 Ų19092 Ų9283%0.82646%0.464SS*.  trans-129.595.6144.4-72.4-170.7178.9173.90110.2D83 T87D83-K85 PolarHBondContact O-N 3.16Å; K85-T87 PolarHBondContact O-N 3.37Å; K85-T87 VanDerWaalsContact O-N 3.09Å
86T52.9Low70.1Confident105 Ų10591.4 Ų91.464%0.64446%0.46SS*.  trans-50.4115.1149.925.80000107.8
87T52.4Low70.4Confident75 Ų7596.9 Ų96.946%0.4648%0.483SS..  trans-58.6147.4160.844.40000107.7K85 D89 G90K85-T87 PolarHBondContact O-N 3.37Å; K85-T87 VanDerWaalsContact O-N 3.09Å; T87-D89 PolarHBondContact O-N 2.83Å; T87-G90 PolarHBondContact O-N 2.84Å
88K53Low70.5Confident218 Ų21894.5 Ų94.595%0.94847%0.467SS*.THydrogen-bonded Turntrans-59.6-12.5-167-67.7-174.9175.5-176.50114.3
89D59.4Low70.4Confident129 Ų12998.7 Ų98.769%0.6950%0.496SS*.THydrogen-bonded Turntrans-90.57.3179-45.4-65.2000114.8T87 V91T87-D89 PolarHBondContact O-N 2.83Å; D89-V91 HydrophobicContact CB-CG2 4.49Å; D89-V91 PolarHBondContact O-N 2.05Å
90G70.6Confident70.2Confident23 Ų2398.1 Ų98.124%0.23749%0.488CS..  trans72.325.6175.600000114.9A58 T87A58-G90 PolarHBondContact N-O 3.39Å; T87-G90 PolarHBondContact O-N 2.84Å
91V79.9Confident70.6Confident34 Ų3493.5 Ų93.521%0.20647%0.467CS..EExtended strand (participates in β ladder)trans-85.3128.3176.9-179.90000110K55 W56 K57 D89K55-V91 HydrophobicContact CB-CG1 4.34Å; W56-V91 WeakPolarHBondContact O-CA 3.47Å; K57-V91 HydrophobicContact CG-CG2 4.27Å; D89-V91 HydrophobicContact CB-CG2 4.49Å; D89-V91 PolarHBondContact O-N 2.05Å
92V80Confident71.4Confident25 Ų2591.1 Ų91.115%0.15246%0.464CS..EExtended strand (participates in β ladder)trans-107.3148.2174.4-178.80000109.2K55 W56 A58K55-V92 VanDerWaalsContact CA-O 3.27Å; K55-V92 WeakPolarHBondContact CA-O 3.32Å; W56-V92 HydrophobicContact CD2-CB 4.42Å; W56-V92 HydrophobicContact CH2-CB 4.12Å; W56-V92 HydrophobicContact CH2-CG1 3.54Å; W56-V92 HydrophobicContact CZ2-CB 3.7Å; W56-V92 HydrophobicContact CZ2-CG1 3.37Å; W56-V92 HydrophobicContact CZ3-CG1 4.35Å; W56-V92 PolarHBondContact N-O 3.38Å; W56-V92 VanDerWaalsContact N-O 3.1Å; W56-V92 PolarHBondContact O-N 2.02Å; A58-V92 HydrophobicContact CB-CB 4.29Å; A58-V92 HydrophobicContact CB-CG2 3.48Å; A58-V92 VanDerWaalsContact CB-CG2 3.48Å
93Q85.4Confident72.4Confident99 Ų9991 Ų9146%0.46347%0.47SS..EExtended strand (participates in β ladder)trans-129.6146.9179.5-56.2-170.9-1.400110.8C54 K55 H80C54-Q93 WeakPolarHBondContact O-CA 3.36Å; K55-Q93 HydrophobicContact CB-CG 3.94Å; H80-Q93 PolarHBondContact ND1-O 2.82Å
94C85.9Confident73.6Confident1 Ų186.2 Ų86.21%0.00746%0.458CS..EExtended strand (participates in β ladder)trans-145.4157.6172.774.50000110.6C54 W56 C78 V79C54-C94 PolarHBondContact N-O 3.34Å; C54-C94 PolarHBondContact O-N 3.11Å; W56-C94 HydrophobicContact CH2-CB 4.07Å; W56-C94 HydrophobicContact CZ3-CB 4.04Å; W56-C94 VanDerWaalsContact CZ3-SG 3.58Å; C78-C94 HydrophobicContact CB-CB 3.77Å; C78-C94 WeakPolarHBondContact CB-SG 3.43Å; C78-C94 WeakPolarHBondContact SG-CB 3.12Å; C78-C94 CovalentContact SG-SG 2.03Å; C78-C94 PolarHBondContact SG-SG 3.2Å; V79-C94 CarbonylContact O-C 3.52Å; V79-C94 VanDerWaalsContact O-CA 3.28Å; V79-C94 WeakPolarHBondContact O-CA 3.19Å; V79-C94 WeakPolarHBondContact O-CB 3.38Å
95R87.4Confident74.8Confident57 Ų5779.7 Ų79.722%0.21543%0.429CS..EExtended strand (participates in β ladder)trans-125.3119.1178.5179.8171.1-70.4-147.9-12.4109.8H51 V52 D53 V79 F81H51-R95 HydrophobicContact CB-CG 3.83Å; H51-R95 PolarHBondContact CD2-NE 2.83Å; H51-R95 PolarHBondContact CD2-NH2 2.92Å; H51-R95 PolarHBondContact NE2-NH1 2.84Å; H51-R95 PolarHBondContact NE2-NH2 3.38Å; V52-R95 WeakPolarHBondContact O-CA 3.08Å; D53-R95 VanDerWaalsContact CG-NH2 3.31Å; D53-R95 WeakPolarHBondContact OD1-CB 3.43Å; D53-R95 WeakPolarHBondContact OD1-CG 3.45Å; D53-R95 IonicContact OD1-CZ 2.69Å; D53-R95 VanDerWaalsContact OD1-CZ 3.3Å; D53-R95 IonicContact OD1-NE 3.5Å; D53-R95 PolarHBondContact OD1-NE 3.12Å; D53-R95 IonicContact OD1-NH2 3.5Å; D53-R95 PolarHBondContact OD1-NH2 2.66Å; D53-R95 VanDerWaalsContact OD1-NH2 3.14Å; D53-R95 IonicContact OD2-CZ 2.81Å; D53-R95 IonicContact OD2-NE 3.68Å; D53-R95 IonicContact OD2-NH2 3.71Å; D53-R95 PolarHBondContact OD2-NH2 2.89Å; V79-R95 PolarHBondContact N-O 2.75Å; V79-R95 PolarHBondContact O-N 2.79Å; F81-R95 HydrophobicContact CB-CB 3.9Å; F81-R95 HydrophobicContact CD2-CB 4.04Å; F81-R95 HydrophobicContact CG-CB 4.08Å
96Y87.4Confident76.4Confident8 Ų876 Ų763%0.03142%0.418CS..EExtended strand (participates in β ladder)trans-91.9133.8167.3-177.3-122000109.6H51 V52 L68 E70 E76 T98H51-Y96 CarbonylContact C-O 3.6Å; H51-Y96 WeakPolarHBondContact CA-O 3.43Å; H51-Y96 VanDerWaalsContact CB-O 3.22Å; H51-Y96 WeakPolarHBondContact CB-O 3.44Å; V52-Y96 PolarHBondContact N-O 2.79Å; V52-Y96 PolarHBondContact O-N 3.07Å; L68-Y96 HydrophobicContact CB-CD1 4.14Å; L68-Y96 HydrophobicContact CB-CE1 4.45Å; L68-Y96 HydrophobicContact CB-CG 4.21Å; L68-Y96 HydrophobicContact CD2-CD1 3.8Å; L68-Y96 HydrophobicContact CD2-CG 4.01Å; L68-Y96 HydrophobicContact CG-CG 4.47Å; E70-Y96 HydrophobicContact CG-CE1 4.33Å; E76-Y96 HydrophobicContact CB-CD2 4.45Å; E76-Y96 HydrophobicContact CB-CE2 3.6Å; E76-Y96 HydrophobicContact CG-CE2 4.47Å; E76-Y96 WeakPolarHBondContact OE2-CE2 3.23Å; E76-Y96 PolarHBondContact OE2-OH 2.91Å; Y96-T98 HydrophobicContact CD1-CG2 3.91Å; Y96-T98 HydrophobicContact CE1-CG2 3.83Å
97K86.4Confident77.9Confident168 Ų16873.4 Ų73.473%0.7340%0.399SS*.EExtended strand (participates in β ladder)trans-99.2123.2177-67.8-178.4-177.8176.70109.2T50T50-K97 WeakPolarHBondContact O-CA 3.3Å
98T83.4Confident79.5Confident13 Ų1371.7 Ų71.78%0.0839%0.392CS..  trans-153.7146.2174.9-178.90000110.9T50 V52 E70 Y96 M100 L101T50-T98 CarbonylContact C-O 3.07Å; T50-T98 VanDerWaalsContact CA-O 3.31Å; T50-T98 WeakPolarHBondContact CA-O 3.44Å; T50-T98 PolarHBondContact O-N 3.14Å; T50-T98 VanDerWaalsContact O-O 3.11Å; V52-T98 HydrophobicContact CG2-CG2 4.13Å; E70-T98 WeakPolarHBondContact OE1-CB 3.47Å; E70-T98 PolarHBondContact OE1-OG1 3.36Å; Y96-T98 HydrophobicContact CD1-CG2 3.91Å; Y96-T98 HydrophobicContact CE1-CG2 3.83Å; T98-M100 WeakPolarHBondContact OG1-CB 3.34Å; T98-M100 PolarHBondContact OG1-N 2.97Å; T98-L101 HydrophobicContact CG2-CD2 4.35Å; T98-L101 HydrophobicContact CG2-CG 4.37Å
99S81Confident81.1Confident98 Ų9862.6 Ų62.669%0.68536%0.355SS*.SBendtrans-93.7-3.2168.555.90000112.7L101S99-L101 VanDerWaalsContact C-N 3.3Å; S99-L101 PolarHBondContact O-N 2.96Å; S99-L101 VanDerWaalsContact O-N 3.08Å
100M79.3Confident82.3Confident92 Ų9257.9 Ų57.945%0.45333%0.328SS..  trans-88.664.3-172.9-58-60.1-7500110.8T98 I105 H107T98-M100 WeakPolarHBondContact OG1-CB 3.34Å; T98-M100 PolarHBondContact OG1-N 2.97Å; M100-I105 HydrophobicContact CB-CD1 4.29Å; M100-I105 WeakPolarHBondContact O-CD1 3.27Å; M100-I105 WeakPolarHBondContact O-CG2 3.02Å; M100-H107 PolarHBondContact O-CE1 2.91Å
101L81.9Confident82.9Confident29 Ų2958.4 Ų58.415%0.15232%0.324CS..  trans-115.7117-177.9-64.8166.9000109.6N46 Y48 V52 T98 S99N46-L101 HydrophobicContact CB-CD2 4.12Å; Y48-L101 HydrophobicContact CD2-CB 4.33Å; V52-L101 HydrophobicContact CG2-CD2 4.23Å; T98-L101 HydrophobicContact CG2-CD2 4.35Å; T98-L101 HydrophobicContact CG2-CG 4.37Å; S99-L101 VanDerWaalsContact C-N 3.3Å; S99-L101 PolarHBondContact O-N 2.96Å; S99-L101 VanDerWaalsContact O-N 3.08Å
102G80.3Confident82.8Confident25 Ų2557.8 Ų57.826%0.25832%0.319SS..SBendtrans-176.7160.6-169.700000113.6Y48 G104 I105Y48-G102 WeakPolarHBondContact OH-CA 3.41Å; G102-G104 PolarHBondContact O-N 3.34Å; G102-I105 PolarHBondContact O-N 3.1Å; G102-I105 VanDerWaalsContact O-N 3.12Å
103I79.2Confident82.7Confident171 Ų17158.5 Ų58.588%0.87732%0.322SS*.THydrogen-bonded Turntrans-62.8126.2175.9-59.1175.4000109.1
104G76.3Confident82.1Confident59 Ų5959.7 Ų59.761%0.60833%0.331SS*.THydrogen-bonded Turntrans89.5-1.2-176.400000115.3N71 G102N71-G104 PolarHBondContact ND2-O 3.2Å; N71-G104 VanDerWaalsContact ND2-O 3.1Å; G102-G104 PolarHBondContact O-N 3.34Å
105I80.6Confident81.2Confident55 Ų5566.7 Ų66.728%0.28236%0.364SS..  trans-92.4115.3172.4-51.2-179.7000109.9M100 G102M100-I105 HydrophobicContact CB-CD1 4.29Å; M100-I105 WeakPolarHBondContact O-CD1 3.27Å; M100-I105 WeakPolarHBondContact O-CG2 3.02Å; G102-I105 PolarHBondContact O-N 3.1Å; G102-I105 VanDerWaalsContact O-N 3.12Å
106N81.7Confident80.2Confident113 Ų11366.6 Ų66.660%0.60437%0.37SS*.  trans-98.1144176.3-65.2-21.7000110.4N71N71-N106 PolarHBondContact ND2-N 3.3Å
107H84.1Confident79.1Confident50 Ų5068.7 Ų68.723%0.23138%0.383CS..EExtended strand (participates in β ladder)trans-118.1107.5173.9-69.980.3000108.5M100M100-H107 PolarHBondContact O-CE1 2.91Å
108A85.6Confident77.9Confident38 Ų3863.9 Ų63.931%0.31437%0.371SS..EExtended strand (participates in β ladder)trans-89.2116.3178.500000109.7V26 K69V26-A108 HydrophobicContact CG1-CB 4Å; K69-A108 HydrophobicContact CB-CB 4.49Å; K69-A108 PolarHBondContact N-O 3.47Å; K69-A108 PolarHBondContact O-N 3.41Å
109V86.7Confident77Confident28 Ų2869.1 Ų69.117%0.1740%0.398CS..EExtended strand (participates in β ladder)trans-98.6132.3-179.5-163.70000109.8L42 V66 W67 L68L42-V109 HydrophobicContact CD2-CB 3.69Å; L42-V109 HydrophobicContact CD2-CG1 3.7Å; L42-V109 HydrophobicContact CD2-CG2 4.16Å; V66-V109 HydrophobicContact CG1-CG1 3.64Å; W67-V109 WeakPolarHBondContact O-CA 3.29Å; L68-V109 HydrophobicContact CD1-CG1 4.09Å; L68-V109 HydrophobicContact CD2-CG2 4.33Å; L68-V109 HydrophobicContact CG-CG1 4.3Å; L68-V109 HydrophobicContact CG-CG2 4.08Å
110F84.8Confident76.3Confident29 Ų2965.1 Ų65.113%0.12737%0.37CS..EExtended strand (participates in β ladder)trans-144166.8176.962.1-83.4000111.7V26 W67 K69 M112V26-F110 HydrophobicContact CG1-CD1 4.25Å; V26-F110 HydrophobicContact CG2-CD1 3.87Å; V26-F110 HydrophobicContact CG2-CE1 3.9Å; V26-F110 HydrophobicContact CG2-CG 4.41Å; V26-F110 HydrophobicContact CG2-CZ 4.46Å; W67-F110 HydrophobicContact CB-CD1 4.35Å; W67-F110 HydrophobicContact CB-CD2 4.03Å; W67-F110 HydrophobicContact CB-CE1 3.83Å; W67-F110 HydrophobicContact CB-CE2 3.46Å; W67-F110 VanDerWaalsContact CB-CE2 3.46Å; W67-F110 HydrophobicContact CB-CG 4.45Å; W67-F110 HydrophobicContact CB-CZ 3.36Å; W67-F110 HydrophobicContact CG-CE2 4.04Å; W67-F110 HydrophobicContact CG-CZ 4.18Å; W67-F110 PolarHBondContact N-O 3.25Å; W67-F110 PolarHBondContact O-N 2.91Å; K69-F110 HydrophobicContact CB-CE1 3.95Å; F110-M112 HydrophobicContact CD2-CG 4.14Å; F110-M112 HydrophobicContact CE2-CE 3.83Å; F110-M112 HydrophobicContact CE2-CG 3.92Å; F110-M112 HydrophobicContact CE2-SD 4.13Å
111F84.3Confident75.4Confident35 Ų3563.7 Ų63.715%0.15437%0.369CS..EExtended strand (participates in β ladder)trans-113.3136.1-177.8-62-92.8000110W38 L39 W56 L64 Q65 V66W38-F111 HydrophobicContact CB-CD2 4.3Å; W38-F111 HydrophobicContact CB-CE1 4.05Å; W38-F111 HydrophobicContact CB-CE2 3.81Å; W38-F111 HydrophobicContact CB-CZ 3.67Å; L39-F111 HydrophobicContact CD2-CD2 3.99Å; L39-F111 HydrophobicContact CD2-CE2 3.7Å; L39-F111 HydrophobicContact CG-CD2 3.99Å; L39-F111 HydrophobicContact CG-CE2 3.79Å; W56-F111 HydrophobicContact CB-CZ 4.46Å; W56-F111 AromaticContact CD1-CE1 3.76Å; W56-F111 HydrophobicContact CD2-CE1 4.1Å; W56-F111 HydrophobicContact CD2-CZ 4.42Å; W56-F111 AromaticContact CE2-CE1 3.94Å; W56-F111 HydrophobicContact CG-CE1 4.03Å; W56-F111 HydrophobicContact CG-CZ 4.06Å; W56-F111 AromaticContact NE1-CE1 3.68Å; L64-F111 HydrophobicContact CB-CD1 4.35Å; L64-F111 HydrophobicContact CD1-CD1 4.48Å; L64-F111 HydrophobicContact CD2-CB 4.35Å; Q65-F111 WeakPolarHBondContact O-CA 3.4Å; V66-F111 HydrophobicContact CG2-CD1 3.66Å; V66-F111 HydrophobicContact CG2-CE1 3.48Å; V66-F111 VanDerWaalsContact CG2-CE1 3.48Å; V66-F111 HydrophobicContact CG2-CZ 4.4Å
112M76.2Confident74.2Confident21 Ų2166.8 Ų66.810%0.10339%0.393CS..EExtended strand (participates in β ladder)trans-124.1150.5171.5-77.9-170.9165.700111L64 Q65 F110L64-M112 WeakPolarHBondContact CA-O 3.39Å; Q65-M112 PolarHBondContact N-O 3.43Å; Q65-M112 PolarHBondContact O-N 3.1Å; F110-M112 HydrophobicContact CD2-CG 4.14Å; F110-M112 HydrophobicContact CE2-CE 3.83Å; F110-M112 HydrophobicContact CE2-CG 3.92Å; F110-M112 HydrophobicContact CE2-SD 4.13Å
113N79Confident73.1Confident40 Ų4067.5 Ų67.521%0.21439%0.394CS..  trans-129.7166.8158.27038.3000110.2L64 Q115 T116 T117L64-N113 HydrophobicContact CD2-CB 4.29Å; N113-Q115 PolarHBondContact O-N 3.33Å; N113-Q115 WeakPolarHBondContact OD1-CA 3.48Å; N113-Q115 WeakPolarHBondContact OD1-CB 3.09Å; N113-Q115 PolarHBondContact OD1-N 2.97Å; N113-T116 PolarHBondContact N-OG1 2.72Å; N113-T116 PolarHBondContact O-N 3.43Å; N113-T116 PolarHBondContact O-OG1 3.48Å; N113-T116 PolarHBondContact OD1-N 3.29Å; N113-T116 PolarHBondContact OD1-OG1 2.91Å; N113-T117 PolarHBondContact O-N 2.95Å; N113-T117 PolarHBondContact O-OG1 3.25Å; N113-T117 VanDerWaalsContact O-OG1 3.1Å
114N71.7Confident72Confident124 Ų12468.5 Ų68.566%0.66339%0.392SS*.Hα-helixtrans-55-28.1-175.3-60.1-1.9000114.3S118N114-S118 PolarHBondContact O-N 2.9Å; N114-S118 PolarHBondContact O-OG 3.31Å
115Q66.9Low71.1Confident147 Ų14773 Ų7369%0.68740%0.397SS*.Hα-helixtrans-77.6-41.8176.4-60.8178.7-7.300111.8N113 T117 S118 L119N113-Q115 PolarHBondContact O-N 3.33Å; N113-Q115 WeakPolarHBondContact OD1-CA 3.48Å; N113-Q115 WeakPolarHBondContact OD1-CB 3.09Å; N113-Q115 PolarHBondContact OD1-N 2.97Å; Q115-T117 VanDerWaalsContact C-N 3.34Å; Q115-S118 PolarHBondContact O-N 3.23Å; Q115-S118 PolarHBondContact O-OG 3.02Å; Q115-L119 WeakPolarHBondContact O-CG 3.06Å; Q115-L119 PolarHBondContact O-N 3.39Å
116T66.8Low70.1Confident55 Ų5575.4 Ų75.434%0.33742%0.419SS..Hα-helixtrans-65.8-36.8174.154.60000112.3N113 L119 C120N113-T116 PolarHBondContact N-OG1 2.72Å; N113-T116 PolarHBondContact O-N 3.43Å; N113-T116 PolarHBondContact O-OG1 3.48Å; N113-T116 PolarHBondContact OD1-N 3.29Å; N113-T116 PolarHBondContact OD1-OG1 2.91Å; T116-L119 PolarHBondContact O-N 3.48Å; T116-C120 PolarHBondContact O-N 3.33Å; T116-C120 PolarHBondContact O-SG 3.42Å; T116-C120 VanDerWaalsContact O-SG 3.32Å
117T64.6Low69.2Low52 Ų5276.8 Ų76.832%0.31943%0.432SS..Hα-helixtrans-61.3-47.3174.9-50.20000110.8N113 Q115 L119 C120 S121N113-T117 PolarHBondContact O-N 2.95Å; N113-T117 PolarHBondContact O-OG1 3.25Å; N113-T117 VanDerWaalsContact O-OG1 3.1Å; Q115-T117 VanDerWaalsContact C-N 3.34Å; T117-L119 PolarHBondContact O-N 2.98Å; T117-C120 PolarHBondContact O-N 2.98Å; T117-S121 PolarHBondContact O-N 3.49Å; T117-S121 PolarHBondContact O-OG 2.88Å
118S61.4Low68.5Low68 Ų6880 Ų8048%0.47645%0.45SS..Hα-helixtrans-67-35.8178.569.10000112.9N114 Q115 S121 S122N114-S118 PolarHBondContact O-N 2.9Å; N114-S118 PolarHBondContact O-OG 3.31Å; Q115-S118 PolarHBondContact O-N 3.23Å; Q115-S118 PolarHBondContact O-OG 3.02Å; S118-S121 PolarHBondContact O-N 2.86Å; S118-S122 WeakPolarHBondContact O-CB 3.44Å; S118-S122 PolarHBondContact O-N 3.44Å
119L65.4Low68.1Low122 Ų12281.5 Ų81.564%0.63945%0.452SS*.Hα-helixtrans-61-46.3172-76.2167.1000112.1Q115 T116 T117 S123Q115-L119 WeakPolarHBondContact O-CG 3.06Å; Q115-L119 PolarHBondContact O-N 3.39Å; T116-L119 PolarHBondContact O-N 3.48Å; T117-L119 PolarHBondContact O-N 2.98Å; L119-S123 WeakPolarHBondContact O-CB 3.46Å; L119-S123 PolarHBondContact O-N 3.43Å; L119-S123 VanDerWaalsContact O-N 3.09Å
120C64.7Low67.6Low15 Ų1585.8 Ų85.810%0.10147%0.474CS..Hα-helixtrans-60.6-50.8176.2-68.50000111.2R23 C24 T116 T117 S122 S123R23-C120 WeakPolarHBondContact CB-O 2.92Å; C24-C120 HydrophobicContact CB-CB 3.98Å; C24-C120 WeakPolarHBondContact CB-SG 2.95Å; C24-C120 VanDerWaalsContact SG-CA 3.54Å; C24-C120 WeakPolarHBondContact SG-CB 3.46Å; C24-C120 CovalentContact SG-SG 2.04Å; C24-C120 PolarHBondContact SG-SG 3.49Å; T116-C120 PolarHBondContact O-N 3.33Å; T116-C120 PolarHBondContact O-SG 3.42Å; T116-C120 VanDerWaalsContact O-SG 3.32Å; T117-C120 PolarHBondContact O-N 2.98Å; C120-S122 PolarHBondContact O-N 2.79Å; C120-S123 PolarHBondContact O-OG 2.89Å
121S61.6Low67.1Low62 Ų6287.8 Ų87.843%0.43449%0.488SS..Hα-helixtrans-67-36-179.1-54.50000113.8T117 S118T117-S121 PolarHBondContact O-N 3.49Å; T117-S121 PolarHBondContact O-OG 2.88Å; S118-S121 PolarHBondContact O-N 2.86Å
122S56.6Low66.6Low94 Ų9491.6 Ų91.666%0.65751%0.506SS*.Hα-helixtrans-88.1-4.4-176-1690000114.1S118 C120 K124S118-S122 WeakPolarHBondContact O-CB 3.44Å; S118-S122 PolarHBondContact O-N 3.44Å; C120-S122 PolarHBondContact O-N 2.79Å; S122-K124 PolarHBondContact O-N 3.27Å
123S57.2Low66.8Low40 Ų4094.3 Ų94.328%0.2852%0.519SS..  trans-64.3100.3-179.860.40000111.9L119 C120 H125L119-S123 WeakPolarHBondContact O-CB 3.46Å; L119-S123 PolarHBondContact O-N 3.43Å; L119-S123 VanDerWaalsContact O-N 3.09Å; C120-S123 PolarHBondContact O-OG 2.89Å; S123-H125 PolarHBondContact O-N 3.28Å
124K56.6Low67Low192 Ų19296.2 Ų96.284%0.83553%0.528SS*.  trans-75.4114.8159.9-67.8-176.9-179.3179.60106.9S122 S126S122-K124 PolarHBondContact O-N 3.27Å; K124-S126 PolarHBondContact O-N 2.77Å
125H57.9Low67.8Low152 Ų15297.7 Ų97.770%0.70453%0.525SS*.  trans-65.694174.5-63.7-83.8000109.7S123 T127S123-H125 PolarHBondContact O-N 3.28Å; H125-T127 PolarHBondContact O-N 2.97Å; H125-T127 VanDerWaalsContact O-N 3.17Å
126S58.3Low68.7Low106 Ų10691.1 Ų91.174%0.74150%0.496SS*.  trans-72.4104.7175.445.80000109.7K124 L128K124-S126 PolarHBondContact O-N 2.77Å; S126-L128 PolarHBondContact O-N 3.33Å
127T63.5Low69.8Low143 Ų14396.6 Ų96.688%0.87751%0.51SS*.  trans-63.5104.6171490000109.3H125H125-T127 PolarHBondContact O-N 2.97Å; H125-T127 VanDerWaalsContact O-N 3.17Å
128L69.3Low71.2Confident118 Ų11897.1 Ų97.162%0.61852%0.515SS*.  trans-83117.7-177.5-163.876.8000110.3S126 L130 H133S126-L128 PolarHBondContact O-N 3.33Å; L128-L130 PolarHBondContact O-N 3.49Å; L128-L130 VanDerWaalsContact O-N 3.13Å; L128-H133 VanDerWaalsContact CD1-CE1 3.4Å; L128-H133 WeakPolarHBondContact CD1-CE1 3.33Å; L128-H133 HydrophobicContact CD2-CB 4.35Å
129D76.8Confident72.8Confident68 Ų6894 Ų9436%0.36449%0.493SS..  trans-65.9112.7166.2177.90.5000109.1V131 Q132 H133D129-V131 VanDerWaalsContact C-N 3.28Å; D129-V131 PolarHBondContact O-N 2.86Å; D129-V131 WeakPolarHBondContact OD1-CB 3.47Å; D129-V131 PolarHBondContact OD1-N 3.33Å; D129-Q132 HydrophobicContact CB-CB 4.4Å; D129-Q132 HydrophobicContact CB-CG 4.18Å; D129-Q132 PolarHBondContact O-N 2.81Å; D129-Q132 WeakPolarHBondContact OD2-CG 3.3Å; D129-Q132 PolarHBondContact OD2-NE2 3.33Å; D129-H133 PolarHBondContact O-ND1 3.26Å
130L75.7Confident74.1Confident118 Ų11889.5 Ų89.562%0.61848%0.475SS*.SBendtrans-58.8-39.1178.9-179.760.5000111.7L128 Q132 H133 L134L128-L130 PolarHBondContact O-N 3.49Å; L128-L130 VanDerWaalsContact O-N 3.13Å; L130-Q132 PolarHBondContact O-N 2.9Å; L130-H133 PolarHBondContact O-N 3.12Å; L130-L134 HydrophobicContact CD1-CD2 4.07Å; L130-L134 HydrophobicContact CD1-CG 4.29Å; L130-L134 HydrophobicContact CG-CD1 4.44Å; L130-L134 HydrophobicContact CG-CD2 4.3Å; L130-L134 HydrophobicContact CG-CG 4.18Å; L130-L134 WeakPolarHBondContact O-CG 3.39Å; L130-L134 PolarHBondContact O-N 2.96Å
131V75.4Confident75.4Confident71 Ų7191.4 Ų91.443%0.4350%0.498SS..THydrogen-bonded Turntrans-61.8-36.5-175.7-173.90000110.9D129 H133 V217 G218D129-V131 VanDerWaalsContact C-N 3.28Å; D129-V131 PolarHBondContact O-N 2.86Å; D129-V131 WeakPolarHBondContact OD1-CB 3.47Å; D129-V131 PolarHBondContact OD1-N 3.33Å; V131-H133 PolarHBondContact O-N 2.79Å; V131-V217 HydrophobicContact CG1-CB 4.04Å; V131-V217 HydrophobicContact CG1-CG1 4.36Å; V131-G218 WeakPolarHBondContact O-CA 3.06Å
132Q74Confident77Confident115 Ų11589.5 Ų89.554%0.53748%0.482SS..THydrogen-bonded Turntrans-71.6-10.8176.1-67.717443.600113.9D129 L130 R219D129-Q132 HydrophobicContact CB-CB 4.4Å; D129-Q132 HydrophobicContact CB-CG 4.18Å; D129-Q132 PolarHBondContact O-N 2.81Å; D129-Q132 WeakPolarHBondContact OD2-CG 3.3Å; D129-Q132 PolarHBondContact OD2-NE2 3.33Å; L130-Q132 PolarHBondContact O-N 2.9Å; Q132-R219 VanDerWaalsContact O-CZ 3.24Å; Q132-R219 PolarHBondContact O-NE 3.06Å; Q132-R219 PolarHBondContact O-NH2 2.74Å
133H80.1Confident78.8Confident78 Ų7887.8 Ų87.836%0.36147%0.468SS..THydrogen-bonded Turntrans-118.4-15.9-172.8-67.184.2000114.1L128 D129 L130 V131 R219L128-H133 VanDerWaalsContact CD1-CE1 3.4Å; L128-H133 WeakPolarHBondContact CD1-CE1 3.33Å; L128-H133 HydrophobicContact CD2-CB 4.35Å; D129-H133 PolarHBondContact O-ND1 3.26Å; L130-H133 PolarHBondContact O-N 3.12Å; V131-H133 PolarHBondContact O-N 2.79Å; H133-R219 PolarHBondContact CD2-NH2 2.95Å; H133-R219 VanDerWaalsContact CD2-NH2 3.26Å; H133-R219 PolarHBondContact NE2-NH2 3.42Å
134L82.6Confident80.6Confident80 Ų8087.1 Ų87.142%0.41947%0.465SS..  trans-58.1146.4169.2-69.4174.5000112.1L130 R219L130-L134 HydrophobicContact CD1-CD2 4.07Å; L130-L134 HydrophobicContact CD1-CG 4.29Å; L130-L134 HydrophobicContact CG-CD1 4.44Å; L130-L134 HydrophobicContact CG-CD2 4.3Å; L130-L134 HydrophobicContact CG-CG 4.18Å; L130-L134 WeakPolarHBondContact O-CG 3.39Å; L130-L134 PolarHBondContact O-N 2.96Å; L134-R219 PolarHBondContact O-N 2.77Å
135R87.8Confident82.2Confident156 Ų15683.3 Ų83.359%0.58945%0.449SS*.BIsolated β-bridgetrans-133.2146.7170.3-54.5-169-169.1-163.64.4109.4R219R135-R219 WeakPolarHBondContact CA-O 3.34Å; R135-R219 HydrophobicContact CG-CB 4.32Å
136A87.6Confident83.7Confident9 Ų981.2 Ų81.27%0.07444%0.439CS..PPolyproline II helixtrans-64.8153.8168.400000111.2Y160 A213 S221A136-Y160 WeakPolarHBondContact CA-OH 3.46Å; A136-Y160 HydrophobicContact CB-CE2 4.46Å; A136-A213 HydrophobicContact CB-CB 4.39Å; A136-S221 WeakPolarHBondContact O-CA 3.5Å; A136-S221 WeakPolarHBondContact O-CB 3.44Å
137R89.9Confident84.8Confident169 Ų16980.4 Ų80.464%0.63842%0.424SS*.PPolyproline II helixtrans-64.6144.8165.6-77.4178.5-179.9-164.8-0.4109.7P159 Y160R137-P159 HydrophobicContact CB-CB 3.75Å; R137-P159 VanDerWaalsContact O-CB 3.31Å; R137-P159 WeakPolarHBondContact O-CB 3.18Å; R137-P159 WeakPolarHBondContact O-CG 3.35Å; R137-Y160 HydrophobicContact CB-CE2 4.46Å; R137-Y160 HydrophobicContact CG-CE1 4.32Å; R137-Y160 PolarHBondContact N-OH 3.25Å
138P93.9Very high85.1Confident64 Ų6476.2 Ų76.242%0.41640%0.401SS..PPolyproline II helixtrans-69.4142.3177.230.2-34.7000110.9K222P138-K222 WeakPolarHBondContact CB-O 3.44Å
139P94.4Very high85Confident3 Ų378.4 Ų78.42%0.01941%0.407CS..PPolyproline II helixtrans-61150.4172.9-22.334.4000112.5W156 Y172 V211 A213P139-W156 HydrophobicContact CB-CB 4.46Å; P139-W156 HydrophobicContact CB-CG 4.38Å; P139-Y172 HydrophobicContact CG-CD1 4.03Å; P139-Y172 HydrophobicContact CG-CE1 3.97Å; P139-V211 HydrophobicContact CB-CG1 3.82Å; P139-V211 HydrophobicContact CG-CG1 3.97Å; P139-V211 HydrophobicContact CG-CG2 4.47Å; P139-A213 HydrophobicContact CG-CB 3.89Å
140G91.5Very high84.9Confident26 Ų2675.9 Ų75.927%0.26840%0.397SS..EExtended strand (participates in β ladder)trans-106.8171.417800000112.8L142 W156 S157G140-L142 VanDerWaalsContact C-N 3.26Å; G140-L142 PolarHBondContact O-N 2.94Å; G140-L142 VanDerWaalsContact O-N 3.1Å; G140-W156 WeakPolarHBondContact O-CB 3.4Å; G140-S157 VanDerWaalsContact C-OG 3.31Å; G140-S157 WeakPolarHBondContact CA-OG 3.3Å; G140-S157 PolarHBondContact N-O 2.89Å; G140-S157 PolarHBondContact O-N 3.15Å; G140-S157 PolarHBondContact O-OG 2.92Å
141G91.9Very high85.5Confident56 Ų5670.3 Ų70.358%0.57737%0.369SS*.EExtended strand (participates in β ladder)trans57.230.7166.400000115.9T143G141-T143 PolarHBondContact O-N 3.33Å; G141-T143 PolarHBondContact O-OG1 2.82Å
142L95.9Very high86.3Confident21 Ų2167.5 Ų67.511%0.1135%0.35CS..EExtended strand (participates in β ladder)trans-60.6122.7175.9-17865.1000109.4G140 R155 W156 A209 V211 A227G140-L142 VanDerWaalsContact C-N 3.26Å; G140-L142 PolarHBondContact O-N 2.94Å; G140-L142 VanDerWaalsContact O-N 3.1Å; L142-R155 CarbonylContact C-O 3.56Å; L142-R155 WeakPolarHBondContact CA-O 3.49Å; L142-W156 HydrophobicContact CB-CB 4.44Å; L142-W156 HydrophobicContact CD1-CB 4.15Å; L142-W156 HydrophobicContact CD1-CD2 4.27Å; L142-W156 HydrophobicContact CD1-CE3 3.54Å; L142-W156 HydrophobicContact CD1-CZ3 4.3Å; L142-A209 WeakPolarHBondContact CD2-O 3.16Å; L142-V211 HydrophobicContact CD1-CG1 4.13Å; L142-V211 HydrophobicContact CD2-CG1 4.27Å; L142-A227 HydrophobicContact CB-CB 4.44Å; L142-A227 HydrophobicContact CD2-CB 3.98Å; L142-A227 HydrophobicContact CG-CB 3.78Å
143T95Very high87.2Confident58 Ų5865.5 Ų65.536%0.35634%0.338SS..EExtended strand (participates in β ladder)trans-139.6149.1-176.940.90000109.2G141 F145 L154 R155G141-T143 PolarHBondContact O-N 3.33Å; G141-T143 PolarHBondContact O-OG1 2.82Å; T143-F145 HydrophobicContact CG2-CZ 4.22Å; T143-F145 VanDerWaalsContact OG1-CE2 3.3Å; T143-F145 WeakPolarHBondContact OG1-CE2 3.48Å; T143-L154 CarbonylContact O-C 3.6Å; T143-L154 VanDerWaalsContact O-CA 3.28Å; T143-L154 WeakPolarHBondContact O-CA 3.36Å; T143-R155 PolarHBondContact N-O 2.85Å; T143-R155 PolarHBondContact O-N 3.17Å; T143-R155 PolarHBondContact OG1-O 3.49Å
144A93.8Very high87.9Confident26 Ų2661.8 Ų61.822%0.21532%0.321CS..EExtended strand (participates in β ladder)trans-122.9133.417700000108.9L154 W229A144-L154 HydrophobicContact CB-CD1 4.03Å; A144-L154 HydrophobicContact CB-CG 4Å; A144-W229 HydrophobicContact CB-CD2 4.03Å; A144-W229 HydrophobicContact CB-CE3 3.71Å; A144-W229 HydrophobicContact CB-CG 4.46Å; A144-W229 HydrophobicContact CB-CZ3 4.22Å
145F90.5Very high88.5Confident112 Ų11264.9 Ų64.949%0.49133%0.327SS..EExtended strand (participates in β ladder)trans-131.5142.1178.6-52.1-82.9000109T143 Y152 R153T143-F145 HydrophobicContact CG2-CZ 4.22Å; T143-F145 VanDerWaalsContact OG1-CE2 3.3Å; T143-F145 WeakPolarHBondContact OG1-CE2 3.48Å; F145-Y152 CarbonylContact O-C 3.59Å; F145-Y152 WeakPolarHBondContact O-CA 3.28Å; F145-R153 PolarHBondContact N-O 2.82Å; F145-R153 PolarHBondContact O-N 2.89Å
146E89.4Confident88.9Confident109 Ų10958.1 Ų58.151%0.50930%0.301SS..EExtended strand (participates in β ladder)trans-72.6137.7169.5-163.9164.9164.500109.5G150 Y152E146-G150 PolarHBondContact OE1-N 2.92Å; E146-Y152 HydrophobicContact CB-CD1 4.13Å; E146-Y152 HydrophobicContact CB-CE1 3.64Å; E146-Y152 HydrophobicContact CG-CE1 4.09Å; E146-Y152 HydrophobicContact CG-CE2 4.38Å; E146-Y152 PolarHBondContact OE2-OH 2.8Å
147E82.4Confident89.1Confident88 Ų8860.7 Ų60.741%0.41132%0.319SS..EExtended strand (participates in β ladder)trans-112.3-54.9-177.2179.6165.2-98.200112S151 R153 R195E147-S151 PolarHBondContact N-O 3.06Å; E147-R153 VanDerWaalsContact CD-NH2 3.29Å; E147-R153 IonicContact OE1-CZ 2.69Å; E147-R153 VanDerWaalsContact OE1-CZ 3.26Å; E147-R153 IonicContact OE1-NE 3.63Å; E147-R153 PolarHBondContact OE1-NE 2.96Å; E147-R153 IonicContact OE1-NH2 2.73Å; E147-R153 PolarHBondContact OE1-NH2 2.84Å; E147-R153 IonicContact OE2-CZ 2.67Å; E147-R153 IonicContact OE2-NE 3.81Å; E147-R153 IonicContact OE2-NH2 2.7Å; E147-R153 PolarHBondContact OE2-NH2 3.27Å; E147-R195 WeakPolarHBondContact OE2-CD 3.5Å; E147-R195 IonicContact OE2-CZ 3.82Å; E147-R195 IonicContact OE2-NE 2.77Å; E147-R195 IonicContact OE2-NH1 3.19Å; E147-R195 PolarHBondContact OE2-NH1 3.44Å
148S68.4Low89.2Confident56 Ų5654.1 Ų54.139%0.39230%0.299SS..EExtended strand (participates in β ladder)trans-156.6131.2177.662.30000111.2G150 S151 R195S148-G150 VanDerWaalsContact C-N 3.31Å; S148-G150 PolarHBondContact O-N 3.3Å; S148-G150 VanDerWaalsContact O-N 3.16Å; S148-S151 PolarHBondContact N-OG 3.06Å; S148-S151 WeakPolarHBondContact O-CB 3Å; S148-S151 PolarHBondContact O-N 2.82Å; S148-S151 PolarHBondContact O-OG 3.03Å; S148-S151 PolarHBondContact OG-OG 2.91Å; S148-R195 PolarHBondContact OG-NH1 2.97Å
149E68.5Low89Confident163 Ų16352 Ų5276%0.76229%0.285SS*.THydrogen-bonded Turntrans53.238.7163.5-140.8-172.4178.700115.4R198E149-R198 WeakPolarHBondContact O-CD 3.42Å; E149-R198 PolarHBondContact O-NH1 2.76Å
150G74Confident88.7Confident15 Ų1553.6 Ų53.616%0.15529%0.291CS..THydrogen-bonded Turntrans874.3-178.300000115.9E146 S148 Y152E146-G150 PolarHBondContact OE1-N 2.92Å; S148-G150 VanDerWaalsContact C-N 3.31Å; S148-G150 PolarHBondContact O-N 3.3Å; S148-G150 VanDerWaalsContact O-N 3.16Å; G150-Y152 WeakPolarHBondContact O-CD2 3.32Å
151S88.1Confident88.4Confident2 Ų256 Ų561%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-86.9142.3169.165.20000112.1E147 S148 R195 L196E147-S151 PolarHBondContact N-O 3.06Å; S148-S151 PolarHBondContact N-OG 3.06Å; S148-S151 WeakPolarHBondContact O-CB 3Å; S148-S151 PolarHBondContact O-N 2.82Å; S148-S151 PolarHBondContact O-OG 3.03Å; S148-S151 PolarHBondContact OG-OG 2.91Å; S151-R195 PolarHBondContact OG-NH1 2.87Å; S151-R195 PolarHBondContact OG-NH2 3.33Å; S151-L196 WeakPolarHBondContact CA-O 3.37Å
152Y92.2Very high87.9Confident12 Ų1259.4 Ų59.45%0.04731%0.314CS..EExtended strand (participates in β ladder)trans-117.4129.5-176-74.5-93.8000112.1F145 E146 G150 L196 L201 W229 K230 T231F145-Y152 CarbonylContact O-C 3.59Å; F145-Y152 WeakPolarHBondContact O-CA 3.28Å; E146-Y152 HydrophobicContact CB-CD1 4.13Å; E146-Y152 HydrophobicContact CB-CE1 3.64Å; E146-Y152 HydrophobicContact CG-CE1 4.09Å; E146-Y152 HydrophobicContact CG-CE2 4.38Å; E146-Y152 PolarHBondContact OE2-OH 2.8Å; G150-Y152 WeakPolarHBondContact O-CD2 3.32Å; Y152-L196 PolarHBondContact N-O 2.89Å; Y152-L196 PolarHBondContact O-N 2.75Å; Y152-L201 HydrophobicContact CD2-CD1 3.59Å; Y152-L201 HydrophobicContact CE2-CD1 4.43Å; Y152-L201 HydrophobicContact CG-CD1 4.38Å; Y152-W229 AromaticContact CD1-CD1 3.58Å; Y152-W229 HydrophobicContact CD1-CG 4.2Å; Y152-W229 AromaticContact CD1-NE1 3.75Å; Y152-W229 AromaticContact CD2-NE1 3.63Å; Y152-W229 AromaticContact CE1-CD1 3.5Å; Y152-W229 VanDerWaalsContact CE1-CD1 3.5Å; Y152-W229 HydrophobicContact CE1-CG 4.24Å; Y152-W229 AromaticContact CE2-CD1 3.94Å; Y152-W229 AromaticContact CE2-NE1 3.92Å; Y152-W229 AromaticContact CG-CD1 3.88Å; Y152-W229 AromaticContact CG-NE1 3.56Å; Y152-W229 AromaticContact CZ-CD1 3.71Å; Y152-K230 PolarHBondContact OH-O 2.87Å; Y152-T231 HydrophobicContact CD2-CG2 4.48Å; Y152-T231 HydrophobicContact CE2-CG2 3.92Å
153R93.6Very high87.3Confident73 Ų7364 Ų6428%0.27535%0.347SS..EExtended strand (participates in β ladder)trans-95.9119.5169.2-173.8174.6-63-80.8-10110.2F145 E147 R155 A194F145-R153 PolarHBondContact N-O 2.82Å; F145-R153 PolarHBondContact O-N 2.89Å; E147-R153 VanDerWaalsContact CD-NH2 3.29Å; E147-R153 IonicContact OE1-CZ 2.69Å; E147-R153 VanDerWaalsContact OE1-CZ 3.26Å; E147-R153 IonicContact OE1-NE 3.63Å; E147-R153 PolarHBondContact OE1-NE 2.96Å; E147-R153 IonicContact OE1-NH2 2.73Å; E147-R153 PolarHBondContact OE1-NH2 2.84Å; E147-R153 IonicContact OE2-CZ 2.67Å; E147-R153 IonicContact OE2-NE 3.81Å; E147-R153 IonicContact OE2-NH2 2.7Å; E147-R153 PolarHBondContact OE2-NH2 3.27Å; R153-R155 HydrophobicContact CG-CG 4.13Å; R153-A194 CarbonylContact C-O 3.56Å; R153-A194 WeakPolarHBondContact CA-O 3.42Å
154L95Very high86.7Confident0 Ų062.5 Ų62.50%034%0.339CS..EExtended strand (participates in β ladder)trans-93.5138.6171.5-78.266.8000109.2T143 A144 W156 L174 S193 A194 L196 A209 W229T143-L154 CarbonylContact O-C 3.6Å; T143-L154 VanDerWaalsContact O-CA 3.28Å; T143-L154 WeakPolarHBondContact O-CA 3.36Å; A144-L154 HydrophobicContact CB-CD1 4.03Å; A144-L154 HydrophobicContact CB-CG 4Å; L154-W156 HydrophobicContact CB-CZ3 4.12Å; L154-L174 HydrophobicContact CD2-CD1 3.73Å; L154-L174 HydrophobicContact CD2-CD2 4.17Å; L154-S193 CarbonylContact O-C 3.51Å; L154-S193 VanDerWaalsContact O-CA 3.23Å; L154-S193 WeakPolarHBondContact O-CA 3.13Å; L154-S193 WeakPolarHBondContact O-CB 3.33Å; L154-A194 PolarHBondContact N-O 2.87Å; L154-A194 PolarHBondContact O-N 2.91Å; L154-L196 HydrophobicContact CD1-CD1 3.82Å; L154-L196 HydrophobicContact CD1-CG 4.17Å; L154-L196 HydrophobicContact CD2-CD1 4.26Å; L154-A209 HydrophobicContact CD2-CB 3.51Å; L154-W229 HydrophobicContact CD1-CH2 4.19Å; L154-W229 HydrophobicContact CD1-CZ2 4.41Å; L154-W229 HydrophobicContact CD2-CH2 4.11Å; L154-W229 HydrophobicContact CD2-CZ3 4.27Å
155R95.5Very high86.1Confident145 Ų14565.6 Ų65.655%0.54736%0.359SS..EExtended strand (participates in β ladder)trans-136.8144.7-179.6-59.5-175.968.4178.10.9110.3L142 T143 R153L142-R155 CarbonylContact C-O 3.56Å; L142-R155 WeakPolarHBondContact CA-O 3.49Å; T143-R155 PolarHBondContact N-O 2.85Å; T143-R155 PolarHBondContact O-N 3.17Å; T143-R155 PolarHBondContact OG1-O 3.49Å; R153-R155 HydrophobicContact CG-CG 4.13Å
156W94.9Very high85.5Confident14 Ų1463.8 Ų63.85%0.05336%0.355CS..EExtended strand (participates in β ladder)trans-144.5166.41765292.9000111P139 G140 L142 L154 Y172 V189 D191 T192 A194 V211P139-W156 HydrophobicContact CB-CB 4.46Å; P139-W156 HydrophobicContact CB-CG 4.38Å; G140-W156 WeakPolarHBondContact O-CB 3.4Å; L142-W156 HydrophobicContact CB-CB 4.44Å; L142-W156 HydrophobicContact CD1-CB 4.15Å; L142-W156 HydrophobicContact CD1-CD2 4.27Å; L142-W156 HydrophobicContact CD1-CE3 3.54Å; L142-W156 HydrophobicContact CD1-CZ3 4.3Å; L154-W156 HydrophobicContact CB-CZ3 4.12Å; W156-Y172 AromaticContact CD1-CE1 3.85Å; W156-Y172 HydrophobicContact CZ2-CD1 4.47Å; W156-Y172 HydrophobicContact CZ2-CG 4.11Å; W156-Y172 AromaticContact NE1-CD1 3.19Å; W156-Y172 AromaticContact NE1-CE1 3.36Å; W156-Y172 AromaticContact NE1-CG 3.57Å; W156-Y172 AromaticContact NE1-CZ 3.89Å; W156-V189 HydrophobicContact CH2-CB 4.36Å; W156-V189 HydrophobicContact CH2-CG1 4.01Å; W156-V189 HydrophobicContact CH2-CG2 4.4Å; W156-V189 HydrophobicContact CZ2-CB 4.35Å; W156-V189 HydrophobicContact CZ2-CG1 4.09Å; W156-D191 WeakPolarHBondContact CZ2-O 3.4Å; W156-T192 PolarHBondContact N-O 3.28Å; W156-A194 HydrophobicContact CH2-CB 3.87Å; W156-A194 HydrophobicContact CZ3-CB 4.13Å; W156-V211 HydrophobicContact CB-CG1 4.23Å; W156-V211 HydrophobicContact CD2-CB 4.42Å; W156-V211 HydrophobicContact CD2-CG1 4.07Å; W156-V211 HydrophobicContact CD2-CG2 4.12Å; W156-V211 HydrophobicContact CG-CG1 3.95Å; W156-V211 HydrophobicContact CH2-CG2 4.35Å; W156-V211 HydrophobicContact CZ2-CG2 3.88Å
157S92.7Very high85.1Confident63 Ų6360.6 Ų60.644%0.44134%0.341SS..EExtended strand (participates in β ladder)trans-91.1141.5172.459.90000111.5G140G140-S157 VanDerWaalsContact C-OG 3.31Å; G140-S157 WeakPolarHBondContact CA-OG 3.3Å; G140-S157 PolarHBondContact N-O 2.89Å; G140-S157 PolarHBondContact O-N 3.15Å; G140-S157 PolarHBondContact O-OG 2.92Å
158S91.4Very high84.8Confident31 Ų3164.6 Ų64.622%0.21736%0.359CS..  trans-60.8136.1170.5177.10000109.9Y160 N167 L170 Y172S158-Y160 PolarHBondContact O-N 2.88Å; S158-Y160 VanDerWaalsContact O-N 3.12Å; S158-Y160 PolarHBondContact OG-N 2.9Å; S158-Y160 PolarHBondContact OG-O 2.87Å; S158-N167 PolarHBondContact OG-OD1 3.01Å; S158-L170 WeakPolarHBondContact OG-CD1 3.48Å; S158-Y172 WeakPolarHBondContact CB-OH 3.41Å; S158-Y172 PolarHBondContact OG-OH 2.83Å
159P89.4Confident85.4Confident19 Ų1966.8 Ų66.812%0.12337%0.367CS..SBendtrans-71.3-0.3-18028.2-34.6000114.7R137 L170 A213R137-P159 HydrophobicContact CB-CB 3.75Å; R137-P159 VanDerWaalsContact O-CB 3.31Å; R137-P159 WeakPolarHBondContact O-CB 3.18Å; R137-P159 WeakPolarHBondContact O-CG 3.35Å; P159-L170 HydrophobicContact CG-CD1 4.44Å; P159-A213 HydrophobicContact CG-CB 4.15Å
160Y89.4Confident86.4Confident37 Ų3759.8 Ų59.815%0.14534%0.335CS..SBendtrans-133.8150.2177.8-59.2-80000110.6A136 R137 S158 L166 N167 L170A136-Y160 WeakPolarHBondContact CA-OH 3.46Å; A136-Y160 HydrophobicContact CB-CE2 4.46Å; R137-Y160 HydrophobicContact CB-CE2 4.46Å; R137-Y160 HydrophobicContact CG-CE1 4.32Å; R137-Y160 PolarHBondContact N-OH 3.25Å; S158-Y160 PolarHBondContact O-N 2.88Å; S158-Y160 VanDerWaalsContact O-N 3.12Å; S158-Y160 PolarHBondContact OG-N 2.9Å; S158-Y160 PolarHBondContact OG-O 2.87Å; Y160-L166 HydrophobicContact CD1-CB 4.25Å; Y160-L166 HydrophobicContact CD1-CD1 3.86Å; Y160-L166 HydrophobicContact CD2-CB 4.2Å; Y160-L166 HydrophobicContact CE1-CB 4.47Å; Y160-L166 HydrophobicContact CE1-CD1 3.54Å; Y160-L166 HydrophobicContact CE2-CB 4.45Å; Y160-L166 HydrophobicContact CG-CB 4.11Å; Y160-N167 PolarHBondContact O-ND2 2.94Å; Y160-L170 HydrophobicContact CD2-CD1 4.24Å; Y160-L170 HydrophobicContact CD2-CD2 4.24Å; Y160-L170 HydrophobicContact CE2-CD2 4.24Å
161P84.4Confident87.2Confident75 Ų7561.6 Ų61.649%0.48735%0.345SS..  trans-67.5156.2178.328.6-35000111.8S163 S164 N167P161-S163 PolarHBondContact O-N 3.28Å; P161-S163 VanDerWaalsContact O-N 3.11Å; P161-S164 WeakPolarHBondContact O-CB 3.46Å; P161-S164 PolarHBondContact O-N 2.91Å; P161-N167 VanDerWaalsContact C-ND2 3.28Å; P161-N167 PolarHBondContact O-ND2 2.73Å
162P82.3Confident87.5Confident129 Ų12961.8 Ų61.884%0.83835%0.345SS*.THydrogen-bonded Turntrans-55.2-29.2179.6-28.436.4000114.8S164 N167P162-S164 VanDerWaalsContact C-N 3.28Å; P162-S164 PolarHBondContact O-N 2.81Å; P162-N167 WeakPolarHBondContact CA-ND2 3.13Å
163S82.3Confident87.7Confident116 Ų11663 Ų6381%0.81135%0.351SS*.THydrogen-bonded Turntrans-77.3-4.3177.852.30000115P161P161-S163 PolarHBondContact O-N 3.28Å; P161-S163 VanDerWaalsContact O-N 3.11Å
164S83.1Confident87.8Confident28 Ų2859.5 Ų59.520%0.19634%0.338CS..  trans-85.8131.3-180-169.10000111.8P161 P162 L166 N167P161-S164 WeakPolarHBondContact O-CB 3.46Å; P161-S164 PolarHBondContact O-N 2.91Å; P162-S164 VanDerWaalsContact C-N 3.28Å; P162-S164 PolarHBondContact O-N 2.81Å; S164-L166 PolarHBondContact O-N 3.24Å; S164-L166 VanDerWaalsContact O-N 3.17Å; S164-L166 PolarHBondContact OG-N 2.85Å; S164-N167 WeakPolarHBondContact O-CB 3.45Å; S164-N167 PolarHBondContact O-N 2.95Å
165S80.8Confident87.8Confident90 Ų9059.5 Ų59.563%0.62934%0.338SS*.G310 helixtrans-56.9-27.2169.951.50000113.1N167 Q168S165-N167 PolarHBondContact O-N 2.96Å; S165-Q168 PolarHBondContact O-N 3.48Å
166L78.4Confident87.7Confident75 Ų7553 Ų5339%0.39331%0.314SS..G310 helixtrans-64.4-17.3174.1-63.4177.4000113.6Y160 S164 L170Y160-L166 HydrophobicContact CD1-CB 4.25Å; Y160-L166 HydrophobicContact CD1-CD1 3.86Å; Y160-L166 HydrophobicContact CD2-CB 4.2Å; Y160-L166 HydrophobicContact CE1-CB 4.47Å; Y160-L166 HydrophobicContact CE1-CD1 3.54Å; Y160-L166 HydrophobicContact CE2-CB 4.45Å; Y160-L166 HydrophobicContact CG-CB 4.11Å; S164-L166 PolarHBondContact O-N 3.24Å; S164-L166 VanDerWaalsContact O-N 3.17Å; S164-L166 PolarHBondContact OG-N 2.85Å; L166-L170 WeakPolarHBondContact O-CG 3.38Å
167N81.1Confident87.6Confident41 Ų4154.6 Ų54.622%0.21932%0.32CS..G310 helixtrans-85.3-16.8-179.3-144.9-5.1000112.7S158 Y160 P161 P162 S164 S165 N169 L170S158-N167 PolarHBondContact OG-OD1 3.01Å; Y160-N167 PolarHBondContact O-ND2 2.94Å; P161-N167 VanDerWaalsContact C-ND2 3.28Å; P161-N167 PolarHBondContact O-ND2 2.73Å; P162-N167 WeakPolarHBondContact CA-ND2 3.13Å; S164-N167 WeakPolarHBondContact O-CB 3.45Å; S164-N167 PolarHBondContact O-N 2.95Å; S165-N167 PolarHBondContact O-N 2.96Å; N167-N169 VanDerWaalsContact C-N 3.33Å; N167-N169 PolarHBondContact O-N 2.83Å; N167-L170 VanDerWaalsContact OD1-CD1 3.32Å; N167-L170 WeakPolarHBondContact OD1-CD1 3.24Å
168Q75.5Confident87.4Confident172 Ų17252 Ų5280%0.80430%0.301SS*.THydrogen-bonded Turntrans-74.5-20.8-174.3-63.6179-8.400114S165S165-Q168 PolarHBondContact O-N 3.48Å
169N80.4Confident86.7Confident103 Ų10356.2 Ų56.255%0.55132%0.317SS*.THydrogen-bonded Turntrans-143.966.2179.4-170.11.5000109.6N167 A215 G216N167-N169 VanDerWaalsContact C-N 3.33Å; N167-N169 PolarHBondContact O-N 2.83Å; N169-A215 CarbonylContact O-C 3.53Å; N169-A215 WeakPolarHBondContact O-CA 3.42Å; N169-G216 PolarHBondContact O-N 3.01Å
170L88.9Confident85.8Confident16 Ų1659.9 Ų59.98%0.08435%0.349CS..EExtended strand (participates in β ladder)trans-97.5125.9166.7-70.3170.8000109.1S158 P159 Y160 L166 N167 Y172 R214 A215S158-L170 WeakPolarHBondContact OG-CD1 3.48Å; P159-L170 HydrophobicContact CG-CD1 4.44Å; Y160-L170 HydrophobicContact CD2-CD1 4.24Å; Y160-L170 HydrophobicContact CD2-CD2 4.24Å; Y160-L170 HydrophobicContact CE2-CD2 4.24Å; L166-L170 WeakPolarHBondContact O-CG 3.38Å; N167-L170 VanDerWaalsContact OD1-CD1 3.32Å; N167-L170 WeakPolarHBondContact OD1-CD1 3.24Å; L170-Y172 HydrophobicContact CB-CE2 4.1Å; L170-Y172 WeakPolarHBondContact CD1-OH 3.42Å; L170-R214 CarbonylContact C-O 3.6Å; L170-R214 WeakPolarHBondContact CA-O 3.41Å; L170-A215 HydrophobicContact CD2-CB 4.17Å
171S91.7Very high85.3Confident52 Ų5262.2 Ų62.236%0.36436%0.362SS..EExtended strand (participates in β ladder)trans-94.3134.2160.6-46.10000108.8A213 R214 W220S171-A213 CarbonylContact O-C 3.57Å; S171-A213 WeakPolarHBondContact O-CA 3.39Å; S171-R214 PolarHBondContact N-O 3.44Å; S171-R214 PolarHBondContact O-N 3.33Å; S171-W220 WeakPolarHBondContact O-CZ3 3.43Å
172Y94.5Very high84.8Confident7 Ų766.1 Ų66.13%0.02738%0.378CS..EExtended strand (participates in β ladder)trans-101.2153.9168.8-60-85.1000110.3P139 W156 S158 L170 V189 D191 T192 V211 R212 A213P139-Y172 HydrophobicContact CG-CD1 4.03Å; P139-Y172 HydrophobicContact CG-CE1 3.97Å; W156-Y172 AromaticContact CD1-CE1 3.85Å; W156-Y172 HydrophobicContact CZ2-CD1 4.47Å; W156-Y172 HydrophobicContact CZ2-CG 4.11Å; W156-Y172 AromaticContact NE1-CD1 3.19Å; W156-Y172 AromaticContact NE1-CE1 3.36Å; W156-Y172 AromaticContact NE1-CG 3.57Å; W156-Y172 AromaticContact NE1-CZ 3.89Å; S158-Y172 WeakPolarHBondContact CB-OH 3.41Å; S158-Y172 PolarHBondContact OG-OH 2.83Å; L170-Y172 HydrophobicContact CB-CE2 4.1Å; L170-Y172 WeakPolarHBondContact CD1-OH 3.42Å; Y172-V189 CarbonylContact C-O 3.5Å; Y172-V189 WeakPolarHBondContact CA-O 3.34Å; Y172-V189 WeakPolarHBondContact CB-O 3.47Å; Y172-V189 PolarHBondContact N-O 2.69Å; Y172-V189 PolarHBondContact O-N 2.77Å; Y172-V189 VanDerWaalsContact O-O 3.07Å; Y172-D191 WeakPolarHBondContact CD2-O 3.16Å; Y172-T192 HydrophobicContact CE2-CG2 4.22Å; Y172-V211 HydrophobicContact CD1-CG2 4.25Å; Y172-R212 CarbonylContact C-O 3.57Å; Y172-R212 WeakPolarHBondContact CA-O 3.23Å; Y172-A213 HydrophobicContact CD1-CB 3.94Å; Y172-A213 HydrophobicContact CE1-CB 3.93Å
173Q95.8Very high85Confident37 Ų3762.3 Ų62.317%0.17336%0.363CS..EExtended strand (participates in β ladder)trans-132.4113.5168.9-177.7168.36100107.9T186 E187 V211 R212 W220 W223Q173-T186 HydrophobicContact CG-CG2 3.42Å; Q173-T186 VanDerWaalsContact CG-CG2 3.42Å; Q173-E187 CarbonylContact C-O 3.56Å; Q173-E187 WeakPolarHBondContact CA-O 3.5Å; Q173-V211 WeakPolarHBondContact O-CA 3.28Å; Q173-R212 HydrophobicContact CB-CG 4.08Å; Q173-R212 PolarHBondContact N-O 2.75Å; Q173-R212 PolarHBondContact O-N 2.86Å; Q173-W220 HydrophobicContact CB-CE3 4.32Å; Q173-W220 HydrophobicContact CB-CH2 3.66Å; Q173-W220 HydrophobicContact CB-CZ2 4.32Å; Q173-W220 HydrophobicContact CB-CZ3 3.65Å; Q173-W223 WeakPolarHBondContact O-CZ3 3.32Å
174L96.1Very high85.4Confident0 Ų059.8 Ų59.80%034%0.336CS..EExtended strand (participates in β ladder)trans-83.2145.5172.417863.3000108.5L154 T186 E187 V189 A194 L196 A209L154-L174 HydrophobicContact CD2-CD1 3.73Å; L154-L174 HydrophobicContact CD2-CD2 4.17Å; L174-T186 CarbonylContact O-C 3.59Å; L174-T186 WeakPolarHBondContact O-CA 3.4Å; L174-E187 PolarHBondContact N-O 3.02Å; L174-E187 PolarHBondContact O-N 3.28Å; L174-V189 HydrophobicContact CB-CG2 3.82Å; L174-A194 HydrophobicContact CD2-CB 3.82Å; L174-L196 HydrophobicContact CD2-CD2 4.19Å; L174-A209 HydrophobicContact CD1-CB 4.21Å
175S95.4Very high85.8Confident0 Ų061.8 Ų61.80%035%0.347CS..EExtended strand (participates in β ladder)trans-142.9131.9172.8-179.80000109.4T185 T186 A209 R210 W223S175-T185 CarbonylContact C-O 3.59Å; S175-T185 WeakPolarHBondContact CA-O 3.46Å; S175-T185 PolarHBondContact OG-O 2.84Å; S175-T185 VanDerWaalsContact OG-O 3.05Å; S175-T186 PolarHBondContact OG-OG1 2.81Å; S175-A209 CarbonylContact O-C 3.57Å; S175-A209 VanDerWaalsContact O-CA 3.27Å; S175-A209 WeakPolarHBondContact O-CA 3.49Å; S175-R210 PolarHBondContact N-O 2.95Å; S175-R210 PolarHBondContact O-N 3.45Å; S175-W223 VanDerWaalsContact CB-CH2 3.44Å
176F94.1Very high86.4Confident7 Ų760.5 Ų60.53%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-143.2160.4-174.869.5-85.6000112.1T185 E187 L196 Y207 E208 A209F176-T185 HydrophobicContact CD1-CG2 4.4Å; F176-T185 HydrophobicContact CE1-CG2 3.68Å; F176-T185 HydrophobicContact CE2-CG2 4.23Å; F176-T185 HydrophobicContact CZ-CG2 3.58Å; F176-T185 PolarHBondContact N-O 2.94Å; F176-T185 WeakPolarHBondContact O-CB 3.5Å; F176-T185 PolarHBondContact O-N 3.46Å; F176-E187 HydrophobicContact CE1-CG 4.22Å; F176-L196 HydrophobicContact CD1-CD1 4.27Å; F176-L196 HydrophobicContact CD1-CD2 3.97Å; F176-L196 HydrophobicContact CD2-CD1 4.29Å; F176-L196 HydrophobicContact CE1-CD2 3.6Å; F176-L196 HydrophobicContact CG-CD1 4.14Å; F176-L196 HydrophobicContact CZ-CD2 3.9Å; F176-Y207 HydrophobicContact CD2-CD1 4.2Å; F176-Y207 HydrophobicContact CD2-CE1 4.19Å; F176-E208 CarbonylContact C-O 3.55Å; F176-E208 WeakPolarHBondContact CA-O 3.39Å; F176-E208 WeakPolarHBondContact CB-O 3.39Å; F176-A209 HydrophobicContact CB-CB 3.92Å
177R92.7Very high87Confident48 Ų4859.6 Ų59.618%0.18133%0.329CS..EExtended strand (participates in β ladder)trans-160164.2178.260.2165.3-175.2167.53.9111.1E181 G183 W184 Y207 E208R177-E181 VanDerWaalsContact CD-O 3.25Å; R177-E181 WeakPolarHBondContact CD-O 3.45Å; R177-E181 PolarHBondContact NH1-O 3.24Å; R177-G183 VanDerWaalsContact CB-O 3.23Å; R177-G183 WeakPolarHBondContact CB-O 3.42Å; R177-W184 HydrophobicContact CB-CD2 4.43Å; R177-W184 HydrophobicContact CB-CE3 4.38Å; R177-W184 HydrophobicContact CG-CD2 3.93Å; R177-W184 HydrophobicContact CG-CE3 3.91Å; R177-W184 HydrophobicContact CG-CH2 4.02Å; R177-W184 HydrophobicContact CG-CZ2 4.04Å; R177-W184 HydrophobicContact CG-CZ3 3.95Å; R177-Y207 VanDerWaalsContact C-CD1 3.47Å; R177-Y207 WeakPolarHBondContact O-CA 3.37Å; R177-Y207 WeakPolarHBondContact O-CD1 3.5Å; R177-E208 HydrophobicContact CG-CB 4.26Å; R177-E208 IonicContact CZ-OE2 3.73Å; R177-E208 VanDerWaalsContact CZ-OE2 3.23Å; R177-E208 PolarHBondContact N-O 3.5Å; R177-E208 IonicContact NE-OE2 3.75Å; R177-E208 PolarHBondContact NE-OE2 2.92Å; R177-E208 IonicContact NH2-OE1 3.15Å; R177-E208 IonicContact NH2-OE2 2.67Å; R177-E208 PolarHBondContact NH2-OE2 2.95Å; R177-E208 PolarHBondContact O-N 2.83Å
178T88.6Confident87.6Confident8 Ų862.1 Ų62.15%0.04936%0.355CS..EExtended strand (participates in β ladder)trans-71.5159.7157.968.80000110.5A180 E181 L202 R205 R206 Y207T178-A180 PolarHBondContact O-N 2.99Å; T178-A180 PolarHBondContact OG1-N 2.98Å; T178-E181 VanDerWaalsContact CB-OE2 3.25Å; T178-E181 WeakPolarHBondContact CB-OE2 3.26Å; T178-E181 WeakPolarHBondContact CG2-OE2 3.42Å; T178-E181 PolarHBondContact N-OE2 2.59Å; T178-E181 PolarHBondContact O-N 3.28Å; T178-E181 VanDerWaalsContact OG1-CG 3.27Å; T178-E181 WeakPolarHBondContact OG1-CG 3.47Å; T178-E181 PolarHBondContact OG1-N 3Å; T178-E181 PolarHBondContact OG1-OE2 3.46Å; T178-L202 HydrophobicContact CG2-CD1 4.49Å; T178-R205 HydrophobicContact CG2-CB 4.24Å; T178-R205 HydrophobicContact CG2-CG 4.46Å; T178-R206 CarbonylContact C-O 3.58Å; T178-R206 VanDerWaalsContact CA-O 3.3Å; T178-R206 WeakPolarHBondContact CA-O 3.35Å; T178-Y207 HydrophobicContact CG2-CD1 4.36Å; T178-Y207 HydrophobicContact CG2-CD2 4.47Å; T178-Y207 HydrophobicContact CG2-CE1 3.72Å; T178-Y207 HydrophobicContact CG2-CE2 3.85Å; T178-Y207 VanDerWaalsContact CG2-CZ 3.41Å; T178-Y207 WeakPolarHBondContact CG2-OH 3.47Å
179Q75.6Confident88.3Confident120 Ų12055 Ų5556%0.56132%0.323SS*.THydrogen-bonded Turntrans-66.9-14.1175.4-163.41784.400113.4R206Q179-R206 HydrophobicContact CB-CB 4.08Å; Q179-R206 PolarHBondContact N-O 3.09Å
180A71.3Confident88.5Confident96 Ų9654.5 Ų54.579%0.79333%0.334SS*.THydrogen-bonded Turntrans-94.2-9.2-179.800000113.9T178T178-A180 PolarHBondContact O-N 2.99Å; T178-A180 PolarHBondContact OG1-N 2.98Å
181E78.6Confident88.5Confident86 Ų8657.7 Ų57.740%0.40235%0.351SS..  trans-99.8135.3-178-71.8160.7129.900112.2R177 T178 G183R177-E181 VanDerWaalsContact CD-O 3.25Å; R177-E181 WeakPolarHBondContact CD-O 3.45Å; R177-E181 PolarHBondContact NH1-O 3.24Å; T178-E181 VanDerWaalsContact CB-OE2 3.25Å; T178-E181 WeakPolarHBondContact CB-OE2 3.26Å; T178-E181 WeakPolarHBondContact CG2-OE2 3.42Å; T178-E181 PolarHBondContact N-OE2 2.59Å; T178-E181 PolarHBondContact O-N 3.28Å; T178-E181 VanDerWaalsContact OG1-CG 3.27Å; T178-E181 WeakPolarHBondContact OG1-CG 3.47Å; T178-E181 PolarHBondContact OG1-N 3Å; T178-E181 PolarHBondContact OG1-OE2 3.46Å; E181-G183 VanDerWaalsContact C-N 3.33Å
182D73.6Confident88.5Confident157 Ų15757.5 Ų57.584%0.8435%0.348SS*.SBendtrans-74.6-27167.6-69.4-50.8000112.5
183G85.8Confident88.3Confident50 Ų5058.3 Ų58.352%0.51535%0.354SS..  trans-68.4153.3177.500000113.2R177 E181R177-G183 VanDerWaalsContact CB-O 3.23Å; R177-G183 WeakPolarHBondContact CB-O 3.42Å; E181-G183 VanDerWaalsContact C-N 3.33Å
184W91.1Very high88.2Confident62 Ų6257.1 Ų57.124%0.23535%0.351CS..  trans-128102.5176-80.886.5000110.8R177 T186 E208 R210R177-W184 HydrophobicContact CB-CD2 4.43Å; R177-W184 HydrophobicContact CB-CE3 4.38Å; R177-W184 HydrophobicContact CG-CD2 3.93Å; R177-W184 HydrophobicContact CG-CE3 3.91Å; R177-W184 HydrophobicContact CG-CH2 4.02Å; R177-W184 HydrophobicContact CG-CZ2 4.04Å; R177-W184 HydrophobicContact CG-CZ3 3.95Å; W184-T186 PolarHBondContact O-OG1 3.32Å; W184-T186 VanDerWaalsContact O-OG1 3.1Å; W184-E208 HydrophobicContact CH2-CB 4.05Å; W184-R210 HydrophobicContact CE3-CG 4.25Å; W184-R210 HydrophobicContact CH2-CG 4.12Å; W184-R210 HydrophobicContact CZ3-CG 3.7Å
185T91.5Very high88Confident70 Ų7061 Ų6143%0.42937%0.366SS..EExtended strand (participates in β ladder)trans-57.8142.3167.9-57.60000109.2S175 F176S175-T185 CarbonylContact C-O 3.59Å; S175-T185 WeakPolarHBondContact CA-O 3.46Å; S175-T185 PolarHBondContact OG-O 2.84Å; S175-T185 VanDerWaalsContact OG-O 3.05Å; F176-T185 HydrophobicContact CD1-CG2 4.4Å; F176-T185 HydrophobicContact CE1-CG2 3.68Å; F176-T185 HydrophobicContact CE2-CG2 4.23Å; F176-T185 HydrophobicContact CZ-CG2 3.58Å; F176-T185 PolarHBondContact N-O 2.94Å; F176-T185 WeakPolarHBondContact O-CB 3.5Å; F176-T185 PolarHBondContact O-N 3.46Å
186T93.3Very high87.8Confident64 Ų6461 Ų6139%0.39337%0.366SS..EExtended strand (participates in β ladder)trans-144.9125.4-169.5-60.70000110.9Q173 L174 S175 W184Q173-T186 HydrophobicContact CG-CG2 3.42Å; Q173-T186 VanDerWaalsContact CG-CG2 3.42Å; L174-T186 CarbonylContact O-C 3.59Å; L174-T186 WeakPolarHBondContact O-CA 3.4Å; S175-T186 PolarHBondContact OG-OG1 2.81Å; W184-T186 PolarHBondContact O-OG1 3.32Å; W184-T186 VanDerWaalsContact O-OG1 3.1Å
187E92.5Very high87.6Confident56 Ų5663.9 Ų63.926%0.26238%0.379SS..EExtended strand (participates in β ladder)trans-127.3141.9-175.3-60.6-169.6-176.900110.9Q173 L174 F176 K200Q173-E187 CarbonylContact C-O 3.56Å; Q173-E187 WeakPolarHBondContact CA-O 3.5Å; L174-E187 PolarHBondContact N-O 3.02Å; L174-E187 PolarHBondContact O-N 3.28Å; F176-E187 HydrophobicContact CE1-CG 4.22Å; E187-K200 IonicContact OE1-NZ 2.74Å; E187-K200 PolarHBondContact OE1-NZ 2.85Å; E187-K200 IonicContact OE2-NZ 3.16Å; E187-K200 PolarHBondContact OE2-NZ 2.83Å
188A92.1Very high87.2Confident93 Ų9365.9 Ų65.977%0.76939%0.387SS*.EExtended strand (participates in β ladder)trans-83.2135173.500000110
189V91.6Very high86.8Confident22 Ų2273.5 Ų73.513%0.13342%0.422CS..EExtended strand (participates in β ladder)trans-132.9134.3-176.6-170.30000109.6W156 Y172 L174 D191 S193 A194W156-V189 HydrophobicContact CH2-CB 4.36Å; W156-V189 HydrophobicContact CH2-CG1 4.01Å; W156-V189 HydrophobicContact CH2-CG2 4.4Å; W156-V189 HydrophobicContact CZ2-CB 4.35Å; W156-V189 HydrophobicContact CZ2-CG1 4.09Å; Y172-V189 CarbonylContact C-O 3.5Å; Y172-V189 WeakPolarHBondContact CA-O 3.34Å; Y172-V189 WeakPolarHBondContact CB-O 3.47Å; Y172-V189 PolarHBondContact N-O 2.69Å; Y172-V189 PolarHBondContact O-N 2.77Å; Y172-V189 VanDerWaalsContact O-O 3.07Å; L174-V189 HydrophobicContact CB-CG2 3.82Å; V189-D191 WeakPolarHBondContact CG1-O 3.17Å; V189-S193 WeakPolarHBondContact CG1-O 3.12Å; V189-A194 HydrophobicContact CG1-CB 4.12Å; V189-A194 HydrophobicContact CG2-CB 4.1Å
190A83.6Confident87.2Confident93 Ų9372.3 Ų72.377%0.76942%0.415SS*.SBendtrans-85.6-36.4179.500000113
191D88.3Confident87.9Confident84 Ų8468.3 Ų68.345%0.44938%0.38SS..SBendtrans-100.2171.2-175.7-178.234.6000112.6W156 Y172 V189 S193W156-D191 WeakPolarHBondContact CZ2-O 3.4Å; Y172-D191 WeakPolarHBondContact CD2-O 3.16Å; V189-D191 WeakPolarHBondContact CG1-O 3.17Å; D191-S193 PolarHBondContact O-N 2.88Å; D191-S193 PolarHBondContact OD2-N 2.88Å; D191-S193 PolarHBondContact OD2-OG 2.87Å
192T92Very high87.9Confident47 Ų4768.7 Ų68.729%0.28838%0.384SS..SBendtrans-716.7169.3560000115.1W156 Y172W156-T192 PolarHBondContact N-O 3.28Å; Y172-T192 HydrophobicContact CE2-CG2 4.22Å
193S91.8Very high88.2Confident24 Ų2463.7 Ų63.717%0.16836%0.36CS..EExtended strand (participates in β ladder)trans-139.9153.1171.873.80000112.5L154 V189 D191L154-S193 CarbonylContact O-C 3.51Å; L154-S193 VanDerWaalsContact O-CA 3.23Å; L154-S193 WeakPolarHBondContact O-CA 3.13Å; L154-S193 WeakPolarHBondContact O-CB 3.33Å; V189-S193 WeakPolarHBondContact CG1-O 3.12Å; D191-S193 PolarHBondContact O-N 2.88Å; D191-S193 PolarHBondContact OD2-N 2.88Å; D191-S193 PolarHBondContact OD2-OG 2.87Å
194A93.2Very high87.7Confident13 Ų1362.4 Ų62.411%0.10735%0.348CS..EExtended strand (participates in β ladder)trans-140.3151.4173.200000110.2R153 L154 W156 L174 V189R153-A194 CarbonylContact C-O 3.56Å; R153-A194 WeakPolarHBondContact CA-O 3.42Å; L154-A194 PolarHBondContact N-O 2.87Å; L154-A194 PolarHBondContact O-N 2.91Å; W156-A194 HydrophobicContact CH2-CB 3.87Å; W156-A194 HydrophobicContact CZ3-CB 4.13Å; L174-A194 HydrophobicContact CD2-CB 3.82Å; V189-A194 HydrophobicContact CG1-CB 4.12Å; V189-A194 HydrophobicContact CG2-CB 4.1Å
195R91.9Very high87.3Confident82 Ų8264 Ų6431%0.30935%0.354SS..EExtended strand (participates in β ladder)trans-113.7123.5175.2179.9170.7154.5117.54.7109E147 S148 S151 E197E147-R195 WeakPolarHBondContact OE2-CD 3.5Å; E147-R195 IonicContact OE2-CZ 3.82Å; E147-R195 IonicContact OE2-NE 2.77Å; E147-R195 IonicContact OE2-NH1 3.19Å; E147-R195 PolarHBondContact OE2-NH1 3.44Å; S148-R195 PolarHBondContact OG-NH1 2.97Å; S151-R195 PolarHBondContact OG-NH1 2.87Å; S151-R195 PolarHBondContact OG-NH2 3.33Å; R195-E197 VanDerWaalsContact CD-OE1 3.32Å; R195-E197 WeakPolarHBondContact CD-OE1 3.33Å; R195-E197 WeakPolarHBondContact CG-OE1 3.27Å; R195-E197 IonicContact CZ-OE1 2.98Å; R195-E197 IonicContact CZ-OE2 3.26Å; R195-E197 VanDerWaalsContact CZ-OE2 3.28Å; R195-E197 IonicContact NE-OE1 3.8Å; R195-E197 PolarHBondContact NE-OE1 2.97Å; R195-E197 IonicContact NE-OE2 3.66Å; R195-E197 PolarHBondContact NE-OE2 3.13Å; R195-E197 IonicContact NH2-OE1 3.17Å; R195-E197 IonicContact NH2-OE2 2.69Å; R195-E197 PolarHBondContact NH2-OE2 3.42Å
196L91.6Very high87.2Confident0 Ų068.3 Ų68.30%036%0.362CS..EExtended strand (participates in β ladder)trans-96.5106.1170.2-62.9179.5000107.2S151 Y152 L154 L174 F176 L201 W229S151-L196 WeakPolarHBondContact CA-O 3.37Å; Y152-L196 PolarHBondContact N-O 2.89Å; Y152-L196 PolarHBondContact O-N 2.75Å; L154-L196 HydrophobicContact CD1-CD1 3.82Å; L154-L196 HydrophobicContact CD1-CG 4.17Å; L154-L196 HydrophobicContact CD2-CD1 4.26Å; L174-L196 HydrophobicContact CD2-CD2 4.19Å; F176-L196 HydrophobicContact CD1-CD1 4.27Å; F176-L196 HydrophobicContact CD1-CD2 3.97Å; F176-L196 HydrophobicContact CD2-CD1 4.29Å; F176-L196 HydrophobicContact CE1-CD2 3.6Å; F176-L196 HydrophobicContact CG-CD1 4.14Å; F176-L196 HydrophobicContact CZ-CD2 3.9Å; L196-L201 HydrophobicContact CB-CD1 4Å; L196-L201 HydrophobicContact CB-CD2 4.39Å; L196-L201 HydrophobicContact CB-CG 4.33Å; L196-L201 HydrophobicContact CD1-CD2 4.3Å; L196-W229 HydrophobicContact CD1-CH2 3.9Å; L196-W229 HydrophobicContact CD1-CZ2 3.83Å
197E88.4Confident87.1Confident67 Ų6765.8 Ų65.831%0.31335%0.345SS..  trans-65.4150.8176.6-55.2-59.4159.500111.2R195 Q199 K200R195-E197 VanDerWaalsContact CD-OE1 3.32Å; R195-E197 WeakPolarHBondContact CD-OE1 3.33Å; R195-E197 WeakPolarHBondContact CG-OE1 3.27Å; R195-E197 IonicContact CZ-OE1 2.98Å; R195-E197 IonicContact CZ-OE2 3.26Å; R195-E197 VanDerWaalsContact CZ-OE2 3.28Å; R195-E197 IonicContact NE-OE1 3.8Å; R195-E197 PolarHBondContact NE-OE1 2.97Å; R195-E197 IonicContact NE-OE2 3.66Å; R195-E197 PolarHBondContact NE-OE2 3.13Å; R195-E197 IonicContact NH2-OE1 3.17Å; R195-E197 IonicContact NH2-OE2 2.69Å; R195-E197 PolarHBondContact NH2-OE2 3.42Å; E197-Q199 VanDerWaalsContact CB-OE1 3.32Å; E197-Q199 PolarHBondContact O-N 3.49Å; E197-Q199 VanDerWaalsContact O-N 3.11Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 3.22Å
198R84.1Confident87.2Confident89 Ų8965 Ų6534%0.33634%0.341SS..G310 helixtrans-52.4-37.1-177.7-170.6-166.8-173.3145.8-18.2112.5E149 K200 L201 D234E149-R198 WeakPolarHBondContact O-CD 3.42Å; E149-R198 PolarHBondContact O-NH1 2.76Å; R198-K200 PolarHBondContact O-N 3.43Å; R198-K200 VanDerWaalsContact O-N 3.13Å; R198-L201 PolarHBondContact O-N 3.15Å; R198-D234 IonicContact CZ-OD2 2.75Å; R198-D234 IonicContact NE-OD2 3.93Å; R198-D234 IonicContact NH2-OD1 2.78Å; R198-D234 PolarHBondContact NH2-OD1 3.09Å; R198-D234 VanDerWaalsContact NH2-OD1 3.1Å; R198-D234 IonicContact NH2-OD2 2.73Å; R198-D234 PolarHBondContact NH2-OD2 3.47Å
199Q82.1Confident87.4Confident169 Ų16960.5 Ų60.579%0.7931%0.305SS*.G310 helixtrans-66.9-12.8-179.2-53.482.8-3.500113.9E197E197-Q199 VanDerWaalsContact CB-OE1 3.32Å; E197-Q199 PolarHBondContact O-N 3.49Å; E197-Q199 VanDerWaalsContact O-N 3.11Å
200K83.1Confident87.6Confident94 Ų9462 Ų6241%0.40931%0.308SS..G310 helixtrans-93.4-2.3172.3-61.2-174179.2-175.80113.2E187 E197 R198E187-K200 IonicContact OE1-NZ 2.74Å; E187-K200 PolarHBondContact OE1-NZ 2.85Å; E187-K200 IonicContact OE2-NZ 3.16Å; E187-K200 PolarHBondContact OE2-NZ 2.83Å; E197-K200 WeakPolarHBondContact O-CB 3.33Å; E197-K200 PolarHBondContact O-N 3.22Å; R198-K200 PolarHBondContact O-N 3.43Å; R198-K200 VanDerWaalsContact O-N 3.13Å
201L85Confident88.2Confident13 Ų1357.6 Ų57.67%0.06827%0.271CS..SBendtrans-128.2121.6-168.6-62.5178.4000110.9Y152 L196 R198 Y207 W229 T231Y152-L201 HydrophobicContact CD2-CD1 3.59Å; Y152-L201 HydrophobicContact CE2-CD1 4.43Å; Y152-L201 HydrophobicContact CG-CD1 4.38Å; L196-L201 HydrophobicContact CB-CD1 4Å; L196-L201 HydrophobicContact CB-CD2 4.39Å; L196-L201 HydrophobicContact CB-CG 4.33Å; L196-L201 HydrophobicContact CD1-CD2 4.3Å; R198-L201 PolarHBondContact O-N 3.15Å; L201-Y207 HydrophobicContact CB-CE2 4.32Å; L201-Y207 HydrophobicContact CD2-CD1 3.92Å; L201-Y207 HydrophobicContact CD2-CD2 4.21Å; L201-Y207 HydrophobicContact CD2-CE1 3.71Å; L201-Y207 HydrophobicContact CD2-CE2 3.99Å; L201-Y207 HydrophobicContact CD2-CG 4.18Å; L201-W229 HydrophobicContact CD2-CZ2 4.32Å; L201-T231 HydrophobicContact CB-CG2 4.14Å; L201-T231 HydrophobicContact CD1-CG2 4.39Å
202L80.3Confident88.6Confident94 Ų9456.7 Ų56.749%0.49226%0.262SS..  trans-73.4132.5172.7-63.3177.3000109.8T178 R205 Y207 T231T178-L202 HydrophobicContact CG2-CD1 4.49Å; L202-R205 HydrophobicContact CB-CB 4.42Å; L202-R205 HydrophobicContact CB-CG 3.7Å; L202-Y207 PolarHBondContact N-OH 2.92Å; L202-T231 PolarHBondContact O-OG1 3.41Å
203P78.4Confident88.7Confident51 Ų5154.5 Ų54.533%0.33125%0.248SC..THydrogen-bonded Turntrans-71.2157-17929.4-35.4000112.6R205 T231 G232 D234P203-R205 PolarHBondContact O-N 2.87Å; P203-T231 WeakPolarHBondContact CA-OG1 3.45Å; P203-G232 WeakPolarHBondContact CB-O 3.5Å; P203-D234 HydrophobicContact CB-CB 3.52Å; P203-D234 HydrophobicContact CG-CB 3.67Å
204G76.5Confident88.6Confident24 Ų2458.3 Ų58.325%0.24726%0.259CS..THydrogen-bonded Turntrans64.6-10.3-177.500000116.2K230 T231 G232 D233G204-K230 WeakPolarHBondContact O-CE 3.33Å; G204-T231 PolarHBondContact N-OG1 2.9Å; G204-T231 VanDerWaalsContact N-OG1 3.12Å; G204-G232 PolarHBondContact N-O 3.49Å; G204-D233 VanDerWaalsContact CA-OD1 3.32Å; G204-D233 WeakPolarHBondContact CA-OD1 3.45Å
205R82.7Confident88.2Confident96 Ų9658.1 Ų58.136%0.36226%0.257SS..  trans-80.3155.7-177-61.1-59-174.4-153.7-9.1111.9T178 L202 P203 Y207 K230 T231 E296T178-R205 HydrophobicContact CG2-CB 4.24Å; T178-R205 HydrophobicContact CG2-CG 4.46Å; L202-R205 HydrophobicContact CB-CB 4.42Å; L202-R205 HydrophobicContact CB-CG 3.7Å; P203-R205 PolarHBondContact O-N 2.87Å; R205-Y207 HydrophobicContact CB-CD2 4.42Å; R205-Y207 HydrophobicContact CB-CE2 4.09Å; R205-K230 WeakPolarHBondContact O-CA 3.37Å; R205-T231 PolarHBondContact N-OG1 3.45Å; R205-T231 VanDerWaalsContact N-OG1 3.11Å; R205-T231 PolarHBondContact O-N 3.08Å; R205-T231 PolarHBondContact O-OG1 3.11Å; R205-T231 VanDerWaalsContact O-OG1 3.1Å; R205-E296 IonicContact CZ-OE1 3.83Å; R205-E296 IonicContact NH1-OE1 3.71Å; R205-E296 PolarHBondContact NH1-OE1 2.85Å; R205-E296 IonicContact NH1-OE2 2.75Å; R205-E296 IonicContact NH2-OE1 3.94Å; R205-E296 PolarHBondContact NH2-OE1 2.84Å
206R88.6Confident87.5Confident159 Ų15956.5 Ų56.560%0.627%0.266SS*.EExtended strand (participates in β ladder)trans-87.3131.9164.9-84.1-172153.990.71.6110.5T178 Q179 W229 K230T178-R206 CarbonylContact C-O 3.58Å; T178-R206 VanDerWaalsContact CA-O 3.3Å; T178-R206 WeakPolarHBondContact CA-O 3.35Å; Q179-R206 HydrophobicContact CB-CB 4.08Å; Q179-R206 PolarHBondContact N-O 3.09Å; R206-W229 WeakPolarHBondContact CA-O 3.34Å; R206-K230 HydrophobicContact CG-CB 4.43Å; R206-K230 HydrophobicContact CG-CG 4.49Å
207Y92.3Very high86.4Confident11 Ų1160.5 Ų60.54%0.04329%0.291CS..EExtended strand (participates in β ladder)trans-113.8146.9176.6-86.4-90.4000111.5F176 R177 T178 L201 L202 R205 S228 W229 T231F176-Y207 HydrophobicContact CD2-CD1 4.2Å; F176-Y207 HydrophobicContact CD2-CE1 4.19Å; R177-Y207 VanDerWaalsContact C-CD1 3.47Å; R177-Y207 WeakPolarHBondContact O-CA 3.37Å; R177-Y207 WeakPolarHBondContact O-CD1 3.5Å; T178-Y207 HydrophobicContact CG2-CD1 4.36Å; T178-Y207 HydrophobicContact CG2-CD2 4.47Å; T178-Y207 HydrophobicContact CG2-CE1 3.72Å; T178-Y207 HydrophobicContact CG2-CE2 3.85Å; T178-Y207 VanDerWaalsContact CG2-CZ 3.41Å; T178-Y207 WeakPolarHBondContact CG2-OH 3.47Å; L201-Y207 HydrophobicContact CB-CE2 4.32Å; L201-Y207 HydrophobicContact CD2-CD1 3.92Å; L201-Y207 HydrophobicContact CD2-CD2 4.21Å; L201-Y207 HydrophobicContact CD2-CE1 3.71Å; L201-Y207 HydrophobicContact CD2-CE2 3.99Å; L201-Y207 HydrophobicContact CD2-CG 4.18Å; L202-Y207 PolarHBondContact N-OH 2.92Å; R205-Y207 HydrophobicContact CB-CD2 4.42Å; R205-Y207 HydrophobicContact CB-CE2 4.09Å; Y207-S228 VanDerWaalsContact O-CA 3.23Å; Y207-S228 WeakPolarHBondContact O-CA 3.34Å; Y207-W229 VanDerWaalsContact CB-CE2 3.49Å; Y207-W229 VanDerWaalsContact CB-CZ2 3.49Å; Y207-W229 HydrophobicContact CD1-CZ2 4.42Å; Y207-W229 HydrophobicContact CG-CZ2 4.04Å; Y207-W229 PolarHBondContact N-O 2.81Å; Y207-W229 PolarHBondContact O-N 2.67Å; Y207-W229 VanDerWaalsContact O-N 3.1Å; Y207-T231 HydrophobicContact CD2-CG2 3.84Å; Y207-T231 HydrophobicContact CE2-CG2 4.05Å
208E94.6Very high85.9Confident39 Ų3958 Ų5818%0.18228%0.282CS..EExtended strand (participates in β ladder)trans-118.9141170.8-67.6-175.3160.800109.5F176 R177 W184 V226 A227F176-E208 CarbonylContact C-O 3.55Å; F176-E208 WeakPolarHBondContact CA-O 3.39Å; F176-E208 WeakPolarHBondContact CB-O 3.39Å; R177-E208 HydrophobicContact CG-CB 4.26Å; R177-E208 IonicContact CZ-OE2 3.73Å; R177-E208 VanDerWaalsContact CZ-OE2 3.23Å; R177-E208 PolarHBondContact N-O 3.5Å; R177-E208 IonicContact NE-OE2 3.75Å; R177-E208 PolarHBondContact NE-OE2 2.92Å; R177-E208 IonicContact NH2-OE1 3.15Å; R177-E208 IonicContact NH2-OE2 2.67Å; R177-E208 PolarHBondContact NH2-OE2 2.95Å; R177-E208 PolarHBondContact O-N 2.83Å; W184-E208 HydrophobicContact CH2-CB 4.05Å; E208-V226 HydrophobicContact CB-CG1 3.82Å; E208-V226 HydrophobicContact CG-CG1 4.11Å; E208-A227 CarbonylContact C-O 3.56Å; E208-A227 WeakPolarHBondContact CA-O 3.48Å
209A95.4Very high86Confident0 Ų059.2 Ų59.20%029%0.287CS..EExtended strand (participates in β ladder)trans-138.7152.4170.100000113.4L142 L154 L174 S175 F176 V226 A227 W229L142-A209 WeakPolarHBondContact CD2-O 3.16Å; L154-A209 HydrophobicContact CD2-CB 3.51Å; L174-A209 HydrophobicContact CD1-CB 4.21Å; S175-A209 CarbonylContact O-C 3.57Å; S175-A209 VanDerWaalsContact O-CA 3.27Å; S175-A209 WeakPolarHBondContact O-CA 3.49Å; F176-A209 HydrophobicContact CB-CB 3.92Å; A209-V226 CarbonylContact O-C 3.55Å; A209-V226 VanDerWaalsContact O-CA 3.31Å; A209-V226 WeakPolarHBondContact O-CA 3.03Å; A209-A227 PolarHBondContact N-O 3.22Å; A209-A227 PolarHBondContact O-N 2.77Å; A209-W229 HydrophobicContact CB-CH2 3.83Å; A209-W229 HydrophobicContact CB-CZ3 3.61Å
210R95.9Very high86.5Confident54 Ų5454.5 Ų54.520%0.20426%0.262CS..EExtended strand (participates in β ladder)trans-144.4148.417859.1-175.1-177-164.7-3.1109.6S175 W184 W223S175-R210 PolarHBondContact N-O 2.95Å; S175-R210 PolarHBondContact O-N 3.45Å; W184-R210 HydrophobicContact CE3-CG 4.25Å; W184-R210 HydrophobicContact CH2-CG 4.12Å; W184-R210 HydrophobicContact CZ3-CG 3.7Å; R210-W223 HydrophobicContact CB-CB 4.43Å; R210-W223 HydrophobicContact CB-CE3 4.07Å; R210-W223 HydrophobicContact CG-CD2 3.92Å; R210-W223 HydrophobicContact CG-CE3 3.58Å; R210-W223 HydrophobicContact CG-CG 4.38Å; R210-W223 HydrophobicContact CG-CZ3 3.99Å
211V96.9Very high87Confident0 Ų050.3 Ų50.30%024%0.244CC..EExtended strand (participates in β ladder)trans-125.7147.1179.165.80000111P139 L142 W156 Y172 Q173 S224P139-V211 HydrophobicContact CB-CG1 3.82Å; P139-V211 HydrophobicContact CG-CG1 3.97Å; P139-V211 HydrophobicContact CG-CG2 4.47Å; L142-V211 HydrophobicContact CD1-CG1 4.13Å; L142-V211 HydrophobicContact CD2-CG1 4.27Å; W156-V211 HydrophobicContact CB-CG1 4.23Å; W156-V211 HydrophobicContact CD2-CB 4.42Å; W156-V211 HydrophobicContact CD2-CG1 4.07Å; W156-V211 HydrophobicContact CD2-CG2 4.12Å; W156-V211 HydrophobicContact CG-CG1 3.95Å; W156-V211 HydrophobicContact CH2-CG2 4.35Å; W156-V211 HydrophobicContact CZ2-CG2 3.88Å; Y172-V211 HydrophobicContact CD1-CG2 4.25Å; Q173-V211 WeakPolarHBondContact O-CA 3.28Å; V211-S224 PolarHBondContact N-OG 2.56Å; V211-S224 WeakPolarHBondContact O-CB 3.38Å; V211-S224 PolarHBondContact O-N 2.92Å; V211-S224 PolarHBondContact O-OG 3.07Å
212R95.3Very high87.5Confident65 Ų6557.5 Ų57.525%0.24528%0.275CS..EExtended strand (participates in β ladder)trans-131.7154.1170.264.7-177.7-175.6-176.7-3.6110.8Y172 Q173 W220 S221 W223Y172-R212 CarbonylContact C-O 3.57Å; Y172-R212 WeakPolarHBondContact CA-O 3.23Å; Q173-R212 HydrophobicContact CB-CG 4.08Å; Q173-R212 PolarHBondContact N-O 2.75Å; Q173-R212 PolarHBondContact O-N 2.86Å; R212-W220 HydrophobicContact CG-CD2 4.36Å; R212-W220 HydrophobicContact CG-CE3 3.74Å; R212-W220 HydrophobicContact CG-CZ3 4.33Å; R212-S221 WeakPolarHBondContact CB-OG 3.33Å; R212-W223 HydrophobicContact CB-CD2 4.16Å; R212-W223 HydrophobicContact CB-CE3 3.7Å; R212-W223 HydrophobicContact CB-CZ3 4.03Å; R212-W223 HydrophobicContact CG-CD2 4.22Å; R212-W223 HydrophobicContact CG-CE3 3.72Å; R212-W223 HydrophobicContact CG-CH2 3.87Å; R212-W223 HydrophobicContact CG-CZ2 4.35Å; R212-W223 HydrophobicContact CG-CZ3 3.54Å
213A94Very high88.2Confident0 Ų056.4 Ų56.40%027%0.265CS..EExtended strand (participates in β ladder)trans-115154.6-179.500000111.5A136 P139 P159 S171 Y172 W220 S221A136-A213 HydrophobicContact CB-CB 4.39Å; P139-A213 HydrophobicContact CG-CB 3.89Å; P159-A213 HydrophobicContact CG-CB 4.15Å; S171-A213 CarbonylContact O-C 3.57Å; S171-A213 WeakPolarHBondContact O-CA 3.39Å; Y172-A213 HydrophobicContact CD1-CB 3.94Å; Y172-A213 HydrophobicContact CE1-CB 3.93Å; A213-W220 VanDerWaalsContact C-CE3 3.5Å; A213-S221 PolarHBondContact N-OG 2.77Å; A213-S221 WeakPolarHBondContact O-CB 3.35Å; A213-S221 PolarHBondContact O-N 2.74Å; A213-S221 PolarHBondContact O-OG 2.88Å
214R90.8Very high89.1Confident104 Ų10454.4 Ų54.439%0.39225%0.252SS..EExtended strand (participates in β ladder)trans-138.5124.8169.5173.7169.3-171.8-132.6-1.3108.1L170 S171 G218 W220L170-R214 CarbonylContact C-O 3.6Å; L170-R214 WeakPolarHBondContact CA-O 3.41Å; S171-R214 PolarHBondContact N-O 3.44Å; S171-R214 PolarHBondContact O-N 3.33Å; R214-G218 PolarHBondContact NE-O 3.16Å; R214-G218 PolarHBondContact NH2-O 2.94Å; R214-W220 HydrophobicContact CB-CD2 3.66Å; R214-W220 HydrophobicContact CB-CE3 3.41Å; R214-W220 VanDerWaalsContact CB-CE3 3.41Å; R214-W220 HydrophobicContact CB-CG 4.31Å; R214-W220 HydrophobicContact CB-CH2 4.04Å; R214-W220 HydrophobicContact CB-CZ2 4.27Å; R214-W220 HydrophobicContact CB-CZ3 3.61Å; R214-W220 HydrophobicContact CG-CD2 4.47Å
215A84.4Confident89.9Confident9 Ų958 Ų587%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-74.1162.7166.500000109.7N169 L170 V217N169-A215 CarbonylContact O-C 3.53Å; N169-A215 WeakPolarHBondContact O-CA 3.42Å; L170-A215 HydrophobicContact CD2-CB 4.17Å; A215-V217 PolarHBondContact O-N 2.84Å
216G76.6Confident90.5Very high49 Ų4957.2 Ų57.251%0.50528%0.276SS..SBendtrans-53.7-12.6177.900000116.2N169N169-G216 PolarHBondContact O-N 3.01Å
217V70.3Confident90.7Very high84 Ų8450.1 Ų50.151%0.50925%0.252SS..SBendtrans-125.7151.2169.3-65.20000112.1V131 A215V131-V217 HydrophobicContact CG1-CB 4.04Å; V131-V217 HydrophobicContact CG1-CG1 4.36Å; A215-V217 PolarHBondContact O-N 2.84Å
218G76.3Confident90.7Very high13 Ų1354.1 Ų54.113%0.13428%0.281CS..SBendtrans82.8-165.1177.200000115V131 R214V131-G218 WeakPolarHBondContact O-CA 3.06Å; R214-G218 PolarHBondContact NE-O 3.16Å; R214-G218 PolarHBondContact NH2-O 2.94Å
219R87.2Confident90.6Very high116 Ų11653.3 Ų53.344%0.43828%0.277SS..BIsolated β-bridgetrans-97.4162.8-175.1-45.5-174.8-163.9-171.96.1111.7Q132 H133 L134 R135Q132-R219 VanDerWaalsContact O-CZ 3.24Å; Q132-R219 PolarHBondContact O-NE 3.06Å; Q132-R219 PolarHBondContact O-NH2 2.74Å; H133-R219 PolarHBondContact CD2-NH2 2.95Å; H133-R219 VanDerWaalsContact CD2-NH2 3.26Å; H133-R219 PolarHBondContact NE2-NH2 3.42Å; L134-R219 PolarHBondContact O-N 2.77Å; R135-R219 WeakPolarHBondContact CA-O 3.34Å; R135-R219 HydrophobicContact CG-CB 4.32Å
220W92.2Very high90.2Very high69 Ų6956.9 Ų56.926%0.26129%0.292SS..PPolyproline II helixtrans-53.5147.1171.4-68.3101.3000112.7S171 Q173 R212 A213 R214S171-W220 WeakPolarHBondContact O-CZ3 3.43Å; Q173-W220 HydrophobicContact CB-CE3 4.32Å; Q173-W220 HydrophobicContact CB-CH2 3.66Å; Q173-W220 HydrophobicContact CB-CZ2 4.32Å; Q173-W220 HydrophobicContact CB-CZ3 3.65Å; R212-W220 HydrophobicContact CG-CD2 4.36Å; R212-W220 HydrophobicContact CG-CE3 3.74Å; R212-W220 HydrophobicContact CG-CZ3 4.33Å; A213-W220 VanDerWaalsContact C-CE3 3.5Å; R214-W220 HydrophobicContact CB-CD2 3.66Å; R214-W220 HydrophobicContact CB-CE3 3.41Å; R214-W220 VanDerWaalsContact CB-CE3 3.41Å; R214-W220 HydrophobicContact CB-CG 4.31Å; R214-W220 HydrophobicContact CB-CH2 4.04Å; R214-W220 HydrophobicContact CB-CZ2 4.27Å; R214-W220 HydrophobicContact CB-CZ3 3.61Å; R214-W220 HydrophobicContact CG-CD2 4.47Å
221S93.5Very high89.6Confident6 Ų654.6 Ų54.64%0.04228%0.284CS..PPolyproline II helixtrans-62.4171.2170.871.30000111.9A136 R212 A213A136-S221 WeakPolarHBondContact O-CA 3.5Å; A136-S221 WeakPolarHBondContact O-CB 3.44Å; R212-S221 WeakPolarHBondContact CB-OG 3.33Å; A213-S221 PolarHBondContact N-OG 2.77Å; A213-S221 WeakPolarHBondContact O-CB 3.35Å; A213-S221 PolarHBondContact O-N 2.74Å; A213-S221 PolarHBondContact O-OG 2.88Å
222K94.8Very high88.4Confident164 Ų16456.5 Ų56.571%0.71330%0.304SS*.PPolyproline II helixtrans-60.5157.4154.7-66.1-173.4178.8-175.50109.1P138P138-K222 WeakPolarHBondContact CB-O 3.44Å
223W95.9Very high86.9Confident72 Ų7256.3 Ų56.327%0.27331%0.308SS..PPolyproline II helixtrans-62.9153.1169.3-65.3109.5000111Q173 S175 R210 R212Q173-W223 WeakPolarHBondContact O-CZ3 3.32Å; S175-W223 VanDerWaalsContact CB-CH2 3.44Å; R210-W223 HydrophobicContact CB-CB 4.43Å; R210-W223 HydrophobicContact CB-CE3 4.07Å; R210-W223 HydrophobicContact CG-CD2 3.92Å; R210-W223 HydrophobicContact CG-CE3 3.58Å; R210-W223 HydrophobicContact CG-CG 4.38Å; R210-W223 HydrophobicContact CG-CZ3 3.99Å; R212-W223 HydrophobicContact CB-CD2 4.16Å; R212-W223 HydrophobicContact CB-CE3 3.7Å; R212-W223 HydrophobicContact CB-CZ3 4.03Å; R212-W223 HydrophobicContact CG-CD2 4.22Å; R212-W223 HydrophobicContact CG-CE3 3.72Å; R212-W223 HydrophobicContact CG-CH2 3.87Å; R212-W223 HydrophobicContact CG-CZ2 4.35Å; R212-W223 HydrophobicContact CG-CZ3 3.54Å
224S96.3Very high85.2Confident9 Ų957.6 Ų57.66%0.06331%0.314CS..PPolyproline II helixtrans-61.7168.7164.767.50000111.2V211V211-S224 PolarHBondContact N-OG 2.56Å; V211-S224 WeakPolarHBondContact O-CB 3.38Å; V211-S224 PolarHBondContact O-N 2.92Å; V211-S224 PolarHBondContact O-OG 3.07Å
225P94.6Very high83.5Confident100 Ų10059.3 Ų59.365%0.64933%0.331SS*.PPolyproline II helixtrans-50.5152.5153.5-23.635.1000111.3
226V94.6Very high82.1Confident78 Ų7862 Ų6247%0.47336%0.359SS..PPolyproline II helixtrans-80.5135.1178.1179.50000109.6E208 A209E208-V226 HydrophobicContact CB-CG1 3.82Å; E208-V226 HydrophobicContact CG-CG1 4.11Å; A209-V226 CarbonylContact O-C 3.55Å; A209-V226 VanDerWaalsContact O-CA 3.31Å; A209-V226 WeakPolarHBondContact O-CA 3.03Å
227A93.2Very high81.5Confident11 Ų1165.9 Ų65.99%0.09136%0.364CS..EExtended strand (participates in β ladder)trans-100.5143.1164.200000109.3L142 E208 A209L142-A227 HydrophobicContact CB-CB 4.44Å; L142-A227 HydrophobicContact CD2-CB 3.98Å; L142-A227 HydrophobicContact CG-CB 3.78Å; E208-A227 CarbonylContact C-O 3.56Å; E208-A227 WeakPolarHBondContact CA-O 3.48Å; A209-A227 PolarHBondContact N-O 3.22Å; A209-A227 PolarHBondContact O-N 2.77Å
228S92.8Very high81.5Confident94 Ų9465 Ų6566%0.65736%0.358SS*.EExtended strand (participates in β ladder)trans-135.4145.2-177.657.70000112.2Y207Y207-S228 VanDerWaalsContact O-CA 3.23Å; Y207-S228 WeakPolarHBondContact O-CA 3.34Å
229W91.3Very high81.7Confident23 Ų2365.5 Ų65.59%0.08736%0.36CS..EExtended strand (participates in β ladder)trans-146161.6177.966.4104.5000111.2A144 Y152 L154 L196 L201 R206 Y207 A209A144-W229 HydrophobicContact CB-CD2 4.03Å; A144-W229 HydrophobicContact CB-CE3 3.71Å; A144-W229 HydrophobicContact CB-CG 4.46Å; A144-W229 HydrophobicContact CB-CZ3 4.22Å; Y152-W229 AromaticContact CD1-CD1 3.58Å; Y152-W229 HydrophobicContact CD1-CG 4.2Å; Y152-W229 AromaticContact CD1-NE1 3.75Å; Y152-W229 AromaticContact CD2-NE1 3.63Å; Y152-W229 AromaticContact CE1-CD1 3.5Å; Y152-W229 VanDerWaalsContact CE1-CD1 3.5Å; Y152-W229 HydrophobicContact CE1-CG 4.24Å; Y152-W229 AromaticContact CE2-CD1 3.94Å; Y152-W229 AromaticContact CE2-NE1 3.92Å; Y152-W229 AromaticContact CG-CD1 3.88Å; Y152-W229 AromaticContact CG-NE1 3.56Å; Y152-W229 AromaticContact CZ-CD1 3.71Å; L154-W229 HydrophobicContact CD1-CH2 4.19Å; L154-W229 HydrophobicContact CD1-CZ2 4.41Å; L154-W229 HydrophobicContact CD2-CH2 4.11Å; L154-W229 HydrophobicContact CD2-CZ3 4.27Å; L196-W229 HydrophobicContact CD1-CH2 3.9Å; L196-W229 HydrophobicContact CD1-CZ2 3.83Å; L201-W229 HydrophobicContact CD2-CZ2 4.32Å; R206-W229 WeakPolarHBondContact CA-O 3.34Å; Y207-W229 VanDerWaalsContact CB-CE2 3.49Å; Y207-W229 VanDerWaalsContact CB-CZ2 3.49Å; Y207-W229 HydrophobicContact CD1-CZ2 4.42Å; Y207-W229 HydrophobicContact CG-CZ2 4.04Å; Y207-W229 PolarHBondContact N-O 2.81Å; Y207-W229 PolarHBondContact O-N 2.67Å; Y207-W229 VanDerWaalsContact O-N 3.1Å; A209-W229 HydrophobicContact CB-CH2 3.83Å; A209-W229 HydrophobicContact CB-CZ3 3.61Å
230K87.4Confident81.5Confident75 Ų7565.1 Ų65.133%0.32638%0.375SS..EExtended strand (participates in β ladder)trans-99.8134.2162.3-165.4-154.5173.3-171.30106.9Y152 G204 R205 R206 D233Y152-K230 PolarHBondContact OH-O 2.87Å; G204-K230 WeakPolarHBondContact O-CE 3.33Å; R205-K230 WeakPolarHBondContact O-CA 3.37Å; R206-K230 HydrophobicContact CG-CB 4.43Å; R206-K230 HydrophobicContact CG-CG 4.49Å; K230-D233 WeakPolarHBondContact CE-OD1 3.48Å; K230-D233 IonicContact NZ-OD1 3.62Å; K230-D233 PolarHBondContact NZ-OD1 2.91Å; K230-D233 IonicContact NZ-OD2 2.97Å; K230-D233 PolarHBondContact NZ-OD2 3.1Å
231T84.2Confident81.3Confident6 Ų664.3 Ų64.34%0.03738%0.375CS..PPolyproline II helixtrans-71.8148.8165.646.90000109.6Y152 L201 L202 P203 G204 R205 Y207Y152-T231 HydrophobicContact CD2-CG2 4.48Å; Y152-T231 HydrophobicContact CE2-CG2 3.92Å; L201-T231 HydrophobicContact CB-CG2 4.14Å; L201-T231 HydrophobicContact CD1-CG2 4.39Å; L202-T231 PolarHBondContact O-OG1 3.41Å; P203-T231 WeakPolarHBondContact CA-OG1 3.45Å; G204-T231 PolarHBondContact N-OG1 2.9Å; G204-T231 VanDerWaalsContact N-OG1 3.12Å; R205-T231 PolarHBondContact N-OG1 3.45Å; R205-T231 VanDerWaalsContact N-OG1 3.11Å; R205-T231 PolarHBondContact O-N 3.08Å; R205-T231 PolarHBondContact O-OG1 3.11Å; R205-T231 VanDerWaalsContact O-OG1 3.1Å; Y207-T231 HydrophobicContact CD2-CG2 3.84Å; Y207-T231 HydrophobicContact CE2-CG2 4.05Å
232G70.9Confident81.2Confident40 Ų4067.7 Ų67.741%0.41239%0.393SS..PPolyproline II helixtrans-56149.6170.200000112.1P203 G204P203-G232 WeakPolarHBondContact CB-O 3.5Å; G204-G232 PolarHBondContact N-O 3.49Å
233D63.9Low81.1Confident60 Ų6062.4 Ų62.432%0.32138%0.376SS..PPolyproline II helixtrans-77.8128.8175.8-53.7-85.8000109.5G204 K230 L235G204-D233 VanDerWaalsContact CA-OD1 3.32Å; G204-D233 WeakPolarHBondContact CA-OD1 3.45Å; K230-D233 WeakPolarHBondContact CE-OD1 3.48Å; K230-D233 IonicContact NZ-OD1 3.62Å; K230-D233 PolarHBondContact NZ-OD1 2.91Å; K230-D233 IonicContact NZ-OD2 2.97Å; K230-D233 PolarHBondContact NZ-OD2 3.1Å; D233-L235 PolarHBondContact O-N 2.87Å; D233-L235 VanDerWaalsContact O-N 3.1Å
234D59.3Low80.8Confident27 Ų2762.4 Ų62.414%0.14438%0.384CS..  trans-82.597.8-171-156.1-33.7000111.6R198 P203 G236 Q237R198-D234 IonicContact CZ-OD2 2.75Å; R198-D234 IonicContact NE-OD2 3.93Å; R198-D234 IonicContact NH2-OD1 2.78Å; R198-D234 PolarHBondContact NH2-OD1 3.09Å; R198-D234 VanDerWaalsContact NH2-OD1 3.1Å; R198-D234 IonicContact NH2-OD2 2.73Å; R198-D234 PolarHBondContact NH2-OD2 3.47Å; P203-D234 HydrophobicContact CB-CB 3.52Å; P203-D234 HydrophobicContact CG-CB 3.67Å; D234-G236 PolarHBondContact O-N 2.88Å; D234-G236 WeakPolarHBondContact OD1-CA 3.49Å; D234-G236 PolarHBondContact OD1-N 2.91Å; D234-Q237 HydrophobicContact CB-CB 4.27Å; D234-Q237 PolarHBondContact OD1-N 2.62Å
235L55Low80.6Confident141 Ų14167.1 Ų67.174%0.73841%0.408SS*.SBendtrans-74.8-7.1174.5-56.8-177.2000113.3D233 L261D233-L235 PolarHBondContact O-N 2.87Å; D233-L235 VanDerWaalsContact O-N 3.1Å; L235-L261 HydrophobicContact CD2-CD1 3.72Å
236G55.1Low80.2Confident64 Ų6466.8 Ų66.866%0.6640%0.4SS*.SBendtrans-110.3-31.8-174.200000114.9D234 V238D234-G236 PolarHBondContact O-N 2.88Å; D234-G236 WeakPolarHBondContact OD1-CA 3.49Å; D234-G236 PolarHBondContact OD1-N 2.91Å; G236-V238 PolarHBondContact O-N 3.23Å
237Q63Low79.7Confident131 Ų13164.3 Ų64.361%0.61239%0.391SS*.SBendtrans-77.3121.8178.5-174.1165-10.100111.2D234D234-Q237 HydrophobicContact CB-CB 4.27Å; D234-Q237 PolarHBondContact OD1-N 2.62Å
238V69.9Low79.3Confident65 Ų6572.7 Ų72.739%0.39443%0.428SS..PPolyproline II helixtrans-65.3134.3171.7-179.80000109.2G236 Y267 L315G236-V238 PolarHBondContact O-N 3.23Å; V238-Y267 HydrophobicContact CG1-CE1 4.45Å; V238-L315 HydrophobicContact CG1-CB 4.12Å; V238-L315 HydrophobicContact CG1-CD2 4.02Å; V238-L315 HydrophobicContact CG1-CG 4.24Å
239P80.9Confident78.9Confident25 Ų2573.7 Ų73.716%0.16242%0.421CS..PPolyproline II helixtrans-53.6149.5176.3-28.935.7000113.2L241 W255 V257 Y267 L315P239-L241 PolarHBondContact O-N 2.7Å; P239-W255 HydrophobicContact CB-CB 4.26Å; P239-V257 HydrophobicContact CG-CG2 4.18Å; P239-Y267 HydrophobicContact CG-CD1 4.46Å; P239-Y267 HydrophobicContact CG-CD2 4.2Å; P239-Y267 HydrophobicContact CG-CE1 4.04Å; P239-Y267 HydrophobicContact CG-CE2 3.77Å; P239-L315 HydrophobicContact CB-CD2 4.19Å
240S82.6Confident78.8Confident108 Ų10877.6 Ų77.676%0.75544%0.44SS*.PPolyproline II helixtrans-63.4133.6169.9-165.60000109.7
241L89.3Confident79Confident51 Ų5174.9 Ų74.927%0.26743%0.43SS..EExtended strand (participates in β ladder)trans-97.2118.6174.2-17168.9000108.7P239 C253 W255 L269 L313 L315P239-L241 PolarHBondContact O-N 2.7Å; L241-C253 HydrophobicContact CD1-CB 4.2Å; L241-W255 HydrophobicContact CD1-CB 4.34Å; L241-W255 HydrophobicContact CD1-CD2 4.38Å; L241-W255 HydrophobicContact CD1-CE3 3.65Å; L241-W255 HydrophobicContact CD1-CZ3 4.4Å; L241-L269 HydrophobicContact CD1-CD1 4.23Å; L241-L269 HydrophobicContact CD2-CD1 3.81Å; L241-L313 HydrophobicContact CD2-CB 4.15Å; L241-L313 HydrophobicContact CD2-CD1 4.12Å; L241-L315 HydrophobicContact CD1-CD1 4.49Å; L241-L315 HydrophobicContact CD1-CD2 4.48Å
242D91.5Very high79.4Confident77 Ų7776.5 Ų76.541%0.41244%0.44SS..EExtended strand (participates in β ladder)trans-106.6108.2-179.9174.436.8000108.7C253 S254 R298D242-C253 CarbonylContact O-C 3.58Å; D242-C253 WeakPolarHBondContact O-CA 3.36Å; D242-S254 PolarHBondContact N-O 2.96Å; D242-S254 PolarHBondContact O-N 3.11Å; D242-S254 PolarHBondContact O-OG 3.12Å; D242-R298 IonicContact OD2-NH2 2.71Å; D242-R298 PolarHBondContact OD2-NH2 2.73Å
243C90.9Very high80.4Confident54 Ų5474.6 Ų74.637%0.36542%0.42SS..EExtended strand (participates in β ladder)trans-116.2123.9-176.4-650000111.3V251 T252 C253 L313C243-V251 HydrophobicContact CB-CG1 4.16Å; C243-T252 WeakPolarHBondContact CA-O 3.35Å; C243-C253 HydrophobicContact CB-CB 4.17Å; C243-C253 WeakPolarHBondContact CB-SG 3.49Å; C243-C253 WeakPolarHBondContact SG-CB 3.19Å; C243-C253 CovalentContact SG-SG 2.05Å; C243-C253 PolarHBondContact SG-SG 2.91Å; C243-L313 VanDerWaalsContact SG-CD1 3.55Å
244V91.2Very high81.8Confident72 Ų7272 Ų7244%0.43641%0.406SS..EExtended strand (participates in β ladder)trans-110.5137.4179.6-178.70000109.3D246 V251 T252V244-D246 PolarHBondContact O-N 3.41Å; V244-V251 CarbonylContact O-C 3.58Å; V244-V251 VanDerWaalsContact O-CA 3.27Å; V244-V251 WeakPolarHBondContact O-CA 3.39Å; V244-T252 PolarHBondContact N-O 3.22Å; V244-T252 PolarHBondContact O-N 3.01Å
245L90.3Very high83.2Confident107 Ų10770.8 Ų70.856%0.5640%0.4SS*.EExtended strand (participates in β ladder)trans-86.8102.8172-174.273.2000108.5G247 V251 P308L245-G247 WeakPolarHBondContact CD1-O 3.41Å; L245-G247 WeakPolarHBondContact CG-O 3.5Å; L245-V251 HydrophobicContact CD1-CG2 3.68Å; L245-P308 HydrophobicContact CD1-CB 4.48Å; L245-P308 HydrophobicContact CD1-CG 3.84Å
246D86.9Confident84.9Confident93 Ų9368.6 Ų68.650%0.49739%0.386SS..EExtended strand (participates in β ladder)trans-82.8-23.9-178.8-60.7-61.8000112V244 E250 T252V244-D246 PolarHBondContact O-N 3.41Å; D246-E250 HydrophobicContact CB-CB 4.42Å; D246-E250 PolarHBondContact N-O 3.22Å; D246-T252 WeakPolarHBondContact OD2-CB 3.47Å; D246-T252 PolarHBondContact OD2-N 3.1Å; D246-T252 PolarHBondContact OD2-OG1 2.69Å
247G84.4Confident86.3Confident27 Ų2765.7 Ų65.728%0.27836%0.355SS..EExtended strand (participates in β ladder)trans-164.6173.9174.600000111.7L245 K249 E250L245-G247 WeakPolarHBondContact CD1-O 3.41Å; L245-G247 WeakPolarHBondContact CG-O 3.5Å; G247-K249 PolarHBondContact O-N 3.1Å; G247-E250 PolarHBondContact N-O 2.63Å; G247-E250 PolarHBondContact O-N 3.46Å
248E84.1Confident87.1Confident187 Ų18761.3 Ų61.387%0.87434%0.339SS*.THydrogen-bonded Turntrans-53.8-23-172.8-62.9-176.8165.800115.1
249K85.6Confident87.6Confident114 Ų11461.1 Ų61.150%0.49633%0.331SS..THydrogen-bonded Turntrans-132.615.3177.8-70.8-174.4152.2-156.20113.5G247 D305 V306G247-K249 PolarHBondContact O-N 3.1Å; K249-D305 WeakPolarHBondContact CD-OD1 3.39Å; K249-D305 IonicContact NZ-OD1 2.66Å; K249-D305 PolarHBondContact NZ-OD1 3.36Å; K249-D305 PolarHBondContact O-N 2.89Å; K249-D305 VanDerWaalsContact O-N 3.12Å; K249-V306 WeakPolarHBondContact O-CG2 3.34Å; K249-V306 PolarHBondContact O-N 3.46Å
250E89Confident87.5Confident105 Ų10566 Ų6649%0.49135%0.352SS..EExtended strand (participates in β ladder)trans-125.9121.2-173.2-58.8-165.6152.800110.1D246 G247 L303 T304D246-E250 HydrophobicContact CB-CB 4.42Å; D246-E250 PolarHBondContact N-O 3.22Å; G247-E250 PolarHBondContact N-O 2.63Å; G247-E250 PolarHBondContact O-N 3.46Å; E250-L303 WeakPolarHBondContact CA-O 3.36Å; E250-T304 HydrophobicContact CG-CG2 4.24Å
251V91.1Very high87.4Confident18 Ų1861.8 Ų61.811%0.10932%0.321CS..EExtended strand (participates in β ladder)trans-132.8115.8-175.6177.70000109.9C243 V244 L245 L303 V306 P308C243-V251 HydrophobicContact CB-CG1 4.16Å; V244-V251 CarbonylContact O-C 3.58Å; V244-V251 VanDerWaalsContact O-CA 3.27Å; V244-V251 WeakPolarHBondContact O-CA 3.39Å; L245-V251 HydrophobicContact CD1-CG2 3.68Å; V251-L303 PolarHBondContact N-O 2.9Å; V251-L303 WeakPolarHBondContact O-CB 3.3Å; V251-L303 PolarHBondContact O-N 2.88Å; V251-V306 HydrophobicContact CB-CG2 4.31Å; V251-V306 HydrophobicContact CG2-CG2 3.97Å; V251-P308 HydrophobicContact CG2-CG 4.38Å
252T92Very high87.1Confident40 Ų4059.9 Ų59.925%0.24531%0.313CS..EExtended strand (participates in β ladder)trans-91112.4168.5-61.10000110.5C243 V244 D246 C301C243-T252 WeakPolarHBondContact CA-O 3.35Å; V244-T252 PolarHBondContact N-O 3.22Å; V244-T252 PolarHBondContact O-N 3.01Å; D246-T252 WeakPolarHBondContact OD2-CB 3.47Å; D246-T252 PolarHBondContact OD2-N 3.1Å; D246-T252 PolarHBondContact OD2-OG1 2.69Å; T252-C301 WeakPolarHBondContact CA-O 3.44Å
253C92.7Very high86.6Confident0 Ų064 Ų640%032%0.323CS..EExtended strand (participates in β ladder)trans-98.9135.7171.1-72.40000111.1L241 D242 C243 L269 S300 C301 L313L241-C253 HydrophobicContact CD1-CB 4.2Å; D242-C253 CarbonylContact O-C 3.58Å; D242-C253 WeakPolarHBondContact O-CA 3.36Å; C243-C253 HydrophobicContact CB-CB 4.17Å; C243-C253 WeakPolarHBondContact CB-SG 3.49Å; C243-C253 WeakPolarHBondContact SG-CB 3.19Å; C243-C253 CovalentContact SG-SG 2.05Å; C243-C253 PolarHBondContact SG-SG 2.91Å; C253-L269 HydrophobicContact CB-CD2 3.73Å; C253-S300 CarbonylContact O-C 3.5Å; C253-S300 WeakPolarHBondContact O-CA 3.29Å; C253-C301 PolarHBondContact N-O 2.96Å; C253-C301 PolarHBondContact O-N 2.83Å; C253-L313 WeakPolarHBondContact SG-CD1 3.47Å
254S92.6Very high86.1Confident5 Ų567.4 Ų67.44%0.03533%0.334CS..EExtended strand (participates in β ladder)trans-141.2154.5-176.162.10000112.7D242 R298 Y299D242-S254 PolarHBondContact N-O 2.96Å; D242-S254 PolarHBondContact O-N 3.11Å; D242-S254 PolarHBondContact O-OG 3.12Å; S254-R298 PolarHBondContact OG-NE 2.65Å; S254-R298 PolarHBondContact OG-NH2 2.82Å; S254-Y299 CarbonylContact C-O 3.48Å; S254-Y299 WeakPolarHBondContact CA-O 3.08Å; S254-Y299 WeakPolarHBondContact CB-O 3.31Å
255W90.4Very high85.7Confident3 Ų365.3 Ų65.31%0.01132%0.321CS..EExtended strand (participates in β ladder)trans-151.3150.7-178.460.895.4000110.6P239 L241 Y267 L269 P286 Y299 C301 L315P239-W255 HydrophobicContact CB-CB 4.26Å; L241-W255 HydrophobicContact CD1-CB 4.34Å; L241-W255 HydrophobicContact CD1-CD2 4.38Å; L241-W255 HydrophobicContact CD1-CE3 3.65Å; L241-W255 HydrophobicContact CD1-CZ3 4.4Å; W255-Y267 WeakPolarHBondContact CZ2-O 3.34Å; W255-L269 HydrophobicContact CH2-CB 3.96Å; W255-L269 HydrophobicContact CZ3-CB 4.02Å; W255-L269 HydrophobicContact CZ3-CD2 4.16Å; W255-P286 HydrophobicContact CH2-CB 4.03Å; W255-P286 HydrophobicContact CZ2-CB 4.31Å; W255-P286 HydrophobicContact CZ2-CG 4.48Å; W255-Y299 AromaticContact CE2-CG 3.96Å; W255-Y299 HydrophobicContact CZ2-CG 4.2Å; W255-Y299 PolarHBondContact N-O 2.8Å; W255-Y299 AromaticContact NE1-CD2 3.68Å; W255-Y299 AromaticContact NE1-CG 3.64Å; W255-Y299 PolarHBondContact O-N 2.82Å; W255-C301 HydrophobicContact CH2-CB 4.44Å; W255-C301 HydrophobicContact CZ3-CB 4.2Å; W255-L315 HydrophobicContact CB-CD2 3.94Å; W255-L315 HydrophobicContact CD2-CD1 3.77Å; W255-L315 HydrophobicContact CD2-CD2 4.28Å; W255-L315 HydrophobicContact CE3-CD1 4.09Å; W255-L315 HydrophobicContact CG-CD1 4.17Å; W255-L315 HydrophobicContact CG-CD2 3.82Å; W255-L315 HydrophobicContact CH2-CD1 4.46Å; W255-L315 HydrophobicContact CZ2-CD1 4.15Å; W255-L315 HydrophobicContact CZ3-CD1 4.44Å
256E88.8Confident85.5Confident94 Ų9461.4 Ų61.444%0.43930%0.302SS..EExtended strand (participates in β ladder)trans-117.5133.8-174-65-176.4174.400110.7R298E256-R298 HydrophobicContact CG-CB 3.86Å; E256-R298 HydrophobicContact CG-CG 3.76Å; E256-R298 VanDerWaalsContact OE1-CD 3.32Å; E256-R298 WeakPolarHBondContact OE1-CD 3.41Å; E256-R298 IonicContact OE1-CZ 3.83Å; E256-R298 IonicContact OE1-NE 2.87Å; E256-R298 IonicContact OE1-NH1 2.69Å; E256-R298 PolarHBondContact OE1-NH1 2.85Å
257V85Confident85.5Confident4 Ų457.5 Ų57.52%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-128.9140.9-174.9-170.90000108.8P239 L261 A262 Y267 E296 V297 Y299P239-V257 HydrophobicContact CG-CG2 4.18Å; V257-L261 HydrophobicContact CG1-CB 4.08Å; V257-L261 HydrophobicContact CG1-CD2 4.06Å; V257-L261 HydrophobicContact CG1-CG 4.02Å; V257-A262 HydrophobicContact CG1-CB 4.3Å; V257-Y267 HydrophobicContact CG1-CE2 4.02Å; V257-Y267 HydrophobicContact CG2-CD2 3.82Å; V257-Y267 HydrophobicContact CG2-CE2 3.81Å; V257-E296 CarbonylContact O-C 3.57Å; V257-E296 VanDerWaalsContact O-CA 3.29Å; V257-E296 WeakPolarHBondContact O-CA 3.3Å; V257-V297 PolarHBondContact N-O 2.89Å; V257-V297 PolarHBondContact O-N 3.1Å; V257-Y299 HydrophobicContact CB-CE2 4.15Å; V257-Y299 HydrophobicContact CG2-CD2 3.95Å; V257-Y299 HydrophobicContact CG2-CE2 3.8Å
258S79.7Confident85.7Confident39 Ų3959.8 Ų59.827%0.27328%0.283SS..EExtended strand (participates in β ladder)trans-63.1141.4174.1720000110.7E260 L261 A262S258-E260 PolarHBondContact O-N 2.93Å; S258-L261 PolarHBondContact O-N 2.74Å; S258-L261 VanDerWaalsContact O-N 3.1Å; S258-L261 WeakPolarHBondContact OG-CB 3.36Å; S258-A262 WeakPolarHBondContact O-CB 3.49Å; S258-A262 PolarHBondContact O-N 2.9Å
259R80.9Confident86.1Confident60 Ų6050.9 Ų50.923%0.22624%0.242CC..Hα-helixtrans-58.6-36.3-175.6-170.7-178-60-85.30.5112.5A262 Y263 D291 G294 T295 V297R259-A262 PolarHBondContact O-N 2.75Å; R259-Y263 HydrophobicContact CG-CE2 3.99Å; R259-Y263 WeakPolarHBondContact O-CD2 3.43Å; R259-Y263 VanDerWaalsContact O-CE2 3.31Å; R259-Y263 WeakPolarHBondContact O-CE2 3.41Å; R259-D291 PolarHBondContact NH2-O 3.49Å; R259-G294 PolarHBondContact NE-O 3.05Å; R259-G294 PolarHBondContact NH2-O 3.13Å; R259-T295 WeakPolarHBondContact CB-O 3.25Å; R259-T295 PolarHBondContact N-O 2.96Å; R259-V297 HydrophobicContact CB-CG2 4.33Å; R259-V297 HydrophobicContact CG-CG2 4.3Å
260E79Confident86.4Confident128 Ų12846.7 Ų46.760%0.59822%0.224SC*.Hα-helixtrans-65.6-39.5178.2-65.9173.3-153.600112.1S258 H264S258-E260 PolarHBondContact O-N 2.93Å; E260-H264 PolarHBondContact O-ND1 3.1Å
261L79.2Confident86.4Confident20 Ų2041.7 Ų41.711%0.10520%0.201CC..Hα-helixtrans-73-38.9174.8-178.555.1000111.8L235 V257 S258 Y263 H264 V265L235-L261 HydrophobicContact CD2-CD1 3.72Å; V257-L261 HydrophobicContact CG1-CB 4.08Å; V257-L261 HydrophobicContact CG1-CD2 4.06Å; V257-L261 HydrophobicContact CG1-CG 4.02Å; S258-L261 PolarHBondContact O-N 2.74Å; S258-L261 VanDerWaalsContact O-N 3.1Å; S258-L261 WeakPolarHBondContact OG-CB 3.36Å; L261-Y263 PolarHBondContact O-N 2.87Å; L261-Y263 VanDerWaalsContact O-N 3.09Å; L261-H264 PolarHBondContact O-N 2.88Å; L261-V265 HydrophobicContact CD1-CB 3.74Å; L261-V265 HydrophobicContact CD1-CG2 3.73Å; L261-V265 HydrophobicContact CG-CB 4.21Å; L261-V265 PolarHBondContact O-N 3.11Å
262A82.9Confident86.3Confident11 Ų1141.9 Ų41.99%0.09120%0.2CC..Hα-helixtrans-59.5-21.4-178.800000114.2V257 S258 R259 H264 V265 V297 N320V257-A262 HydrophobicContact CG1-CB 4.3Å; S258-A262 WeakPolarHBondContact O-CB 3.49Å; S258-A262 PolarHBondContact O-N 2.9Å; R259-A262 PolarHBondContact O-N 2.75Å; A262-H264 VanDerWaalsContact C-N 3.3Å; A262-H264 PolarHBondContact O-N 2.78Å; A262-V265 WeakPolarHBondContact CA-O 3.43Å; A262-V297 HydrophobicContact CB-CG2 4.34Å; A262-N320 PolarHBondContact O-ND2 2.97Å
263Y82.6Confident85.9Confident162 Ų16246.6 Ų46.664%0.63521%0.213SC*.THydrogen-bonded Turntrans-70.7-22.8171.5-67-61.7000113.9R259 L261R259-Y263 HydrophobicContact CG-CE2 3.99Å; R259-Y263 WeakPolarHBondContact O-CD2 3.43Å; R259-Y263 VanDerWaalsContact O-CE2 3.31Å; R259-Y263 WeakPolarHBondContact O-CE2 3.41Å; L261-Y263 PolarHBondContact O-N 2.87Å; L261-Y263 VanDerWaalsContact O-N 3.09Å
264H80.3Confident85.4Confident127 Ų12751 Ų5159%0.58824%0.237SC*.THydrogen-bonded Turntrans-116.5-36.5-169-56.796.2000112.9E260 L261 A262 N320E260-H264 PolarHBondContact O-ND1 3.1Å; L261-H264 PolarHBondContact O-N 2.88Å; A262-H264 VanDerWaalsContact C-N 3.3Å; A262-H264 PolarHBondContact O-N 2.78Å; H264-N320 PolarHBondContact O-N 2.82Å; H264-N320 VanDerWaalsContact O-N 3.15Å
265V83.3Confident84.6Confident28 Ų2855.2 Ų55.217%0.1726%0.264CS..EExtended strand (participates in β ladder)trans-128.1134.6-176.8179.80000109L261 A262 Y267 P317 A318L261-V265 HydrophobicContact CD1-CB 3.74Å; L261-V265 HydrophobicContact CD1-CG2 3.73Å; L261-V265 HydrophobicContact CG-CB 4.21Å; L261-V265 PolarHBondContact O-N 3.11Å; A262-V265 WeakPolarHBondContact CA-O 3.43Å; V265-Y267 HydrophobicContact CG1-CE2 4.12Å; V265-P317 HydrophobicContact CG1-CB 4.1Å; V265-A318 WeakPolarHBondContact CA-O 3.27Å
266T85.3Confident84Confident24 Ų2461.6 Ų61.615%0.14730%0.304CS..EExtended strand (participates in β ladder)trans-116174.8166-171.10000109A318 N320T266-A318 HydrophobicContact CG2-CB 4.17Å; T266-A318 PolarHBondContact N-O 2.82Å; T266-A318 PolarHBondContact O-N 2.94Å; T266-N320 WeakPolarHBondContact CB-OD1 3.41Å; T266-N320 WeakPolarHBondContact CG2-OD1 3.27Å
267Y87.2Confident83.7Confident12 Ų1259.3 Ų59.35%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-128.8133.3176.8-61.2-99.2000110.1V238 P239 W255 V257 V265 L315 Q316 P317V238-Y267 HydrophobicContact CG1-CE1 4.45Å; P239-Y267 HydrophobicContact CG-CD1 4.46Å; P239-Y267 HydrophobicContact CG-CD2 4.2Å; P239-Y267 HydrophobicContact CG-CE1 4.04Å; P239-Y267 HydrophobicContact CG-CE2 3.77Å; W255-Y267 WeakPolarHBondContact CZ2-O 3.34Å; V257-Y267 HydrophobicContact CG1-CE2 4.02Å; V257-Y267 HydrophobicContact CG2-CD2 3.82Å; V257-Y267 HydrophobicContact CG2-CE2 3.81Å; V265-Y267 HydrophobicContact CG1-CE2 4.12Å; Y267-L315 HydrophobicContact CD1-CD2 4.35Å; Y267-L315 HydrophobicContact CD1-CG 4.15Å; Y267-L315 HydrophobicContact CG-CD2 4.4Å; Y267-L315 HydrophobicContact CG-CG 4.27Å; Y267-Q316 CarbonylContact C-O 3.55Å; Y267-Q316 WeakPolarHBondContact CA-O 3.15Å; Y267-P317 HydrophobicContact CD1-CB 3.99Å; Y267-P317 HydrophobicContact CE1-CB 3.78Å
268Q89.2Confident83.7Confident74 Ų7467.6 Ų67.635%0.34634%0.339SS..EExtended strand (participates in β ladder)trans-95.9122.9174.6-67.9-179.7-36.300108.9K270 Q316 A318Q268-K270 PolarHBondContact O-N 3.01Å; Q268-Q316 PolarHBondContact N-O 2.95Å; Q268-Q316 PolarHBondContact O-N 2.91Å; Q268-A318 HydrophobicContact CG-CB 4.12Å
269L92Very high84.1Confident1 Ų169 Ų691%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-81.6107169.2-179.162.8000108.7L241 C253 W255 C282 C283 C301 L303 L313 L315L241-L269 HydrophobicContact CD1-CD1 4.23Å; L241-L269 HydrophobicContact CD2-CD1 3.81Å; C253-L269 HydrophobicContact CB-CD2 3.73Å; W255-L269 HydrophobicContact CH2-CB 3.96Å; W255-L269 HydrophobicContact CZ3-CB 4.02Å; W255-L269 HydrophobicContact CZ3-CD2 4.16Å; L269-C282 PolarHBondContact O-N 2.97Å; L269-C282 VanDerWaalsContact O-N 3.11Å; L269-C283 HydrophobicContact CB-CB 4.26Å; L269-C283 PolarHBondContact O-N 3.41Å; L269-C301 HydrophobicContact CD2-CB 4Å; L269-L303 HydrophobicContact CD2-CD1 4.41Å; L269-L313 HydrophobicContact CD1-CB 4.36Å; L269-L313 HydrophobicContact CD1-CD2 4.38Å; L269-L315 HydrophobicContact CB-CD1 4.42Å
270K90.6Very high84.4Confident25 Ų2571.5 Ų71.511%0.10936%0.355CS..EExtended strand (participates in β ladder)trans-99.7150172.7-63-177-179.9-67.70110.4Q268 F279 E280 D281 K314Q268-K270 PolarHBondContact O-N 3.01Å; K270-F279 HydrophobicContact CB-CB 4.05Å; K270-F279 HydrophobicContact CB-CD1 4.11Å; K270-F279 HydrophobicContact CD-CB 4.27Å; K270-E280 CarbonylContact C-O 3.53Å; K270-E280 WeakPolarHBondContact CA-O 3.32Å; K270-E280 VanDerWaalsContact CB-O 3.28Å; K270-E280 WeakPolarHBondContact CB-O 3.48Å; K270-D281 WeakPolarHBondContact CG-OD1 3.48Å; K270-D281 IonicContact NZ-OD1 2.87Å; K270-D281 PolarHBondContact NZ-OD1 3.46Å; K270-D281 IonicContact NZ-OD2 2.88Å; K270-D281 PolarHBondContact NZ-OD2 3.16Å; K270-K314 PolarHBondContact N-O 2.88Å; K270-K314 PolarHBondContact O-N 3.1Å
271C89.7Confident84.8Confident1 Ų169.1 Ų69.11%0.00735%0.346CS..EExtended strand (participates in β ladder)trans-130.4163.5169.8-23.70000112.7F279 E280 C282 L311 Q312 L313C271-F279 CarbonylContact O-C 3.48Å; C271-F279 WeakPolarHBondContact O-CA 3.48Å; C271-E280 PolarHBondContact N-O 2.97Å; C271-E280 PolarHBondContact O-N 3.31Å; C271-C282 HydrophobicContact CB-CB 4.36Å; C271-C282 WeakPolarHBondContact CB-SG 3.23Å; C271-C282 PolarHBondContact N-SG 2.76Å; C271-C282 VanDerWaalsContact N-SG 3.43Å; C271-C282 WeakPolarHBondContact SG-CB 3.37Å; C271-C282 CovalentContact SG-SG 2.02Å; C271-C282 PolarHBondContact SG-SG 3.42Å; C271-L311 HydrophobicContact CB-CD1 3.56Å; C271-L311 HydrophobicContact CB-CG 4.05Å; C271-Q312 CarbonylContact C-O 3.34Å; C271-Q312 WeakPolarHBondContact CA-O 3.14Å; C271-Q312 WeakPolarHBondContact CB-O 3.25Å; C271-L313 HydrophobicContact CB-CD2 3.87Å; C271-L313 WeakPolarHBondContact SG-CD2 3.44Å
272Q89.5Confident85.1Confident21 Ų2169.8 Ų69.810%0.09835%0.352CS..EExtended strand (participates in β ladder)trans-128.5120.2172.3176.3-17255.600107.3D274 P275 A277 F279 Q312Q272-D274 WeakPolarHBondContact CG-O 3.33Å; Q272-P275 PolarHBondContact NE2-O 2.77Å; Q272-A277 PolarHBondContact NE2-O 2.87Å; Q272-F279 HydrophobicContact CB-CD1 3.95Å; Q272-F279 HydrophobicContact CB-CD2 4.15Å; Q272-F279 HydrophobicContact CB-CE1 3.72Å; Q272-F279 HydrophobicContact CB-CE2 3.93Å; Q272-F279 HydrophobicContact CB-CG 4.15Å; Q272-F279 HydrophobicContact CB-CZ 3.71Å; Q272-F279 HydrophobicContact CG-CE2 4.47Å; Q272-Q312 HydrophobicContact CB-CB 4.36Å; Q272-Q312 PolarHBondContact N-O 3.35Å; Q272-Q312 PolarHBondContact O-N 3.02Å
273R83.8Confident85.1Confident140 Ų14070 Ų7053%0.52835%0.353SS..SBendtrans-86.8-42178.9-61.4-175.6-168.380.42.1112.1E280 L311R273-E280 IonicContact CZ-OE2 2.61Å; R273-E280 IonicContact NH1-OE2 3.84Å; R273-E280 PolarHBondContact NH1-OE2 2.71Å; R273-L311 HydrophobicContact CG-CD1 3.91Å
274D81.3Confident84.8Confident91 Ų9168 Ų6849%0.48736%0.357SS..SBendtrans-107130.5172.4-68.2-67.5000109.5Q272 T276 A277Q272-D274 WeakPolarHBondContact CG-O 3.33Å; D274-T276 PolarHBondContact O-N 2.94Å; D274-A277 HydrophobicContact CB-CB 4.13Å; D274-A277 WeakPolarHBondContact O-CB 3.02Å; D274-A277 PolarHBondContact O-N 2.99Å
275P76.7Confident84.8Confident94 Ų9468.8 Ų68.861%0.6137%0.366SS*.THydrogen-bonded Turntrans-64.3-7.6-175.226-35.3000114.7Q272Q272-P275 PolarHBondContact NE2-O 2.77Å
276T77.9Confident84.9Confident138 Ų13869 Ų6985%0.84737%0.368SS*.THydrogen-bonded Turntrans-101.1-11.4174.750.60000113.9D274D274-T276 PolarHBondContact O-N 2.94Å
277A81.6Confident85Confident46 Ų4670.5 Ų70.538%0.3838%0.383SS..SBendtrans-81.2167.6176.800000111.7Q272 D274Q272-A277 PolarHBondContact NE2-O 2.87Å; D274-A277 HydrophobicContact CB-CB 4.13Å; D274-A277 WeakPolarHBondContact O-CB 3.02Å; D274-A277 PolarHBondContact O-N 2.99Å
278Q85.7Confident85Confident177 Ų17774.1 Ų74.183%0.82741%0.406SS*.  trans-80.4162.3171.2-65.6-166.27.500111.7E280Q278-E280 PolarHBondContact O-N 2.95Å
279F87.2Confident84.8Confident70 Ų7073.5 Ų73.531%0.30741%0.409SS..  trans-75.6108.4175.3-87.1-91000110.9K270 C271 Q272 Q312 K314K270-F279 HydrophobicContact CB-CB 4.05Å; K270-F279 HydrophobicContact CB-CD1 4.11Å; K270-F279 HydrophobicContact CD-CB 4.27Å; C271-F279 CarbonylContact O-C 3.48Å; C271-F279 WeakPolarHBondContact O-CA 3.48Å; Q272-F279 HydrophobicContact CB-CD1 3.95Å; Q272-F279 HydrophobicContact CB-CD2 4.15Å; Q272-F279 HydrophobicContact CB-CE1 3.72Å; Q272-F279 HydrophobicContact CB-CE2 3.93Å; Q272-F279 HydrophobicContact CB-CG 4.15Å; Q272-F279 HydrophobicContact CB-CZ 3.71Å; Q272-F279 HydrophobicContact CG-CE2 4.47Å; F279-Q312 HydrophobicContact CE1-CB 4.47Å; F279-Q312 HydrophobicContact CZ-CB 4.27Å; F279-K314 HydrophobicContact CD1-CB 3.75Å; F279-K314 HydrophobicContact CD1-CD 4.49Å; F279-K314 HydrophobicContact CE1-CB 3.58Å; F279-K314 HydrophobicContact CZ-CB 4.3Å
280E88.4Confident84.3Confident111 Ų11176.2 Ų76.252%0.51943%0.429SS..EExtended strand (participates in β ladder)trans-85.6155.3177.5-62.7-175.7152.400111.6K270 C271 R273 Q278 C282K270-E280 CarbonylContact C-O 3.53Å; K270-E280 WeakPolarHBondContact CA-O 3.32Å; K270-E280 VanDerWaalsContact CB-O 3.28Å; K270-E280 WeakPolarHBondContact CB-O 3.48Å; C271-E280 PolarHBondContact N-O 2.97Å; C271-E280 PolarHBondContact O-N 3.31Å; R273-E280 IonicContact CZ-OE2 2.61Å; R273-E280 IonicContact NH1-OE2 3.84Å; R273-E280 PolarHBondContact NH1-OE2 2.71Å; Q278-E280 PolarHBondContact O-N 2.95Å; E280-C282 PolarHBondContact O-N 2.73Å
281D87.4Confident83.6Confident79 Ų7979.3 Ų79.342%0.42245%0.446SS..EExtended strand (participates in β ladder)trans-74.1107.1172.5-73.6-54.7000110.9K270K270-D281 WeakPolarHBondContact CG-OD1 3.48Å; K270-D281 IonicContact NZ-OD1 2.87Å; K270-D281 PolarHBondContact NZ-OD1 3.46Å; K270-D281 IonicContact NZ-OD2 2.88Å; K270-D281 PolarHBondContact NZ-OD2 3.16Å
282C85.7Confident82.5Confident34 Ų3485.1 Ų85.123%0.2348%0.484CS..SBendtrans-81.2-31.9177.5-75.90000112.8L269 C271 E280 L303L269-C282 PolarHBondContact O-N 2.97Å; L269-C282 VanDerWaalsContact O-N 3.11Å; C271-C282 HydrophobicContact CB-CB 4.36Å; C271-C282 WeakPolarHBondContact CB-SG 3.23Å; C271-C282 PolarHBondContact N-SG 2.76Å; C271-C282 VanDerWaalsContact N-SG 3.43Å; C271-C282 WeakPolarHBondContact SG-CB 3.37Å; C271-C282 CovalentContact SG-SG 2.02Å; C271-C282 PolarHBondContact SG-SG 3.42Å; E280-C282 PolarHBondContact O-N 2.73Å; C282-L303 HydrophobicContact CB-CD2 3.88Å
283C83.1Confident81.5Confident15 Ų1595 Ų9510%0.10152%0.521CS..  trans-114.1100.1178.2-135.50000111.9L269 C301L269-C283 HydrophobicContact CB-CB 4.26Å; L269-C283 PolarHBondContact O-N 3.41Å; C283-C301 HydrophobicContact CB-CB 3.9Å; C283-C301 WeakPolarHBondContact CB-SG 3.5Å; C283-C301 WeakPolarHBondContact SG-CB 3.37Å; C283-C301 CovalentContact SG-SG 2.02Å; C283-C301 PolarHBondContact SG-SG 2.85Å
284V76.1Confident80.7Confident120 Ų12089.4 Ų89.473%0.72751%0.507SS*.SBendtrans-74.1-37.4172.4-174.40000111
285N79.6Confident80.5Confident143 Ų14389.8 Ų89.877%0.76551%0.512SS*.SBendtrans-138.388.4-179.6-64.1-68.6000110.1
286P85.8Confident80.7Confident34 Ų3487.8 Ų87.822%0.22150%0.495CS..  trans-65.3140.9172.127.5-33.7000110.7W255 V288 Y299 S300W255-P286 HydrophobicContact CH2-CB 4.03Å; W255-P286 HydrophobicContact CZ2-CB 4.31Å; W255-P286 HydrophobicContact CZ2-CG 4.48Å; P286-V288 PolarHBondContact O-N 3.41Å; P286-Y299 HydrophobicContact CB-CD1 4.48Å; P286-Y299 HydrophobicContact CG-CD1 4.16Å; P286-S300 CarbonylContact C-O 3.56Å; P286-S300 VanDerWaalsContact CA-O 3.3Å; P286-S300 WeakPolarHBondContact CA-O 3.16Å; P286-S300 WeakPolarHBondContact CB-O 3.36Å
287A86.8Confident81.1Confident55 Ų5581.7 Ų81.746%0.45546%0.458SS..EExtended strand (participates in β ladder)trans-70128.7170.800000109.2Y299 S300A287-Y299 CarbonylContact O-C 3.59Å; A287-S300 PolarHBondContact N-O 2.97Å; A287-S300 PolarHBondContact O-N 2.78Å; A287-S300 PolarHBondContact O-OG 2.69Å
288V87.9Confident81.5Confident88 Ų8883.7 Ų83.753%0.53346%0.455SS..EExtended strand (participates in β ladder)trans-108.7128.5-175.8-171.60000109.5P286 V297 Y299P286-V288 PolarHBondContact O-N 3.41Å; V288-V297 HydrophobicContact CG1-CG1 3.5Å; V288-Y299 HydrophobicContact CG1-CD1 4.47Å; V288-Y299 HydrophobicContact CG1-CE1 4.23Å; V288-Y299 HydrophobicContact CG2-CD1 3.77Å; V288-Y299 HydrophobicContact CG2-CE1 3.78Å
289S85.1Confident81.8Confident60 Ų6076.1 Ų76.142%0.4242%0.419SS..EExtended strand (participates in β ladder)trans-125.6138.9173.562.10000110.6R298S289-R298 PolarHBondContact N-O 2.75Å; S289-R298 PolarHBondContact O-N 3.28Å; S289-R298 PolarHBondContact OG-O 2.65Å
290S81.3Confident82Confident59 Ų5974.2 Ų74.241%0.41342%0.415SS..  trans-152.4127.4173.375.60000110.4
291D75.5Confident82.1Confident89 Ų8969 Ų6948%0.47639%0.391SS..  trans-62.9129.8164.2-178.3-23.3000108.1R259 R293 G294R259-D291 PolarHBondContact NH2-O 3.49Å; D291-R293 PolarHBondContact O-N 2.73Å; D291-R293 PolarHBondContact OD1-N 2.9Å; D291-G294 PolarHBondContact O-N 3.26Å
292P67.4Low82.3Confident124 Ų12469.4 Ų69.481%0.80540%0.397SS*.THydrogen-bonded Turntrans-54.1-20.9173-27.936.4000115.2
293R68Low82.5Confident228 Ų22868.3 Ų68.386%0.8639%0.389SS*.THydrogen-bonded Turntrans-102.5-4.1175.3-60.8-176.5-64-169.81.3113.9D291D291-R293 PolarHBondContact O-N 2.73Å; D291-R293 PolarHBondContact OD1-N 2.9Å
294G67.4Low82.6Confident23 Ų2372.2 Ų72.224%0.23741%0.412CS..  trans-77.614518000000113.3R259 D291R259-G294 PolarHBondContact NE-O 3.05Å; R259-G294 PolarHBondContact NH2-O 3.13Å; D291-G294 PolarHBondContact O-N 3.26Å
295T75.1Confident82.9Confident98 Ų9872.3 Ų72.360%0.60141%0.409SS*.SBendtrans-78.7-21.6173.335.10000113.5R259R259-T295 WeakPolarHBondContact CB-O 3.25Å; R259-T295 PolarHBondContact N-O 2.96Å
296E81.7Confident83Confident52 Ų5266.2 Ų66.224%0.24338%0.377CS..EExtended strand (participates in β ladder)trans-108.8159.6179.2-70.998.3147.100112.9R205 V257R205-E296 IonicContact CZ-OE1 3.83Å; R205-E296 IonicContact NH1-OE1 3.71Å; R205-E296 PolarHBondContact NH1-OE1 2.85Å; R205-E296 IonicContact NH1-OE2 2.75Å; R205-E296 IonicContact NH2-OE1 3.94Å; R205-E296 PolarHBondContact NH2-OE1 2.84Å; V257-E296 CarbonylContact O-C 3.57Å; V257-E296 VanDerWaalsContact O-CA 3.29Å; V257-E296 WeakPolarHBondContact O-CA 3.3Å
297V87.4Confident83Confident11 Ų1168.1 Ų68.17%0.06739%0.385CS..EExtended strand (participates in β ladder)trans-119.8124.5170.8178.30000107.2V257 R259 A262 V288 Y299V257-V297 PolarHBondContact N-O 2.89Å; V257-V297 PolarHBondContact O-N 3.1Å; R259-V297 HydrophobicContact CB-CG2 4.33Å; R259-V297 HydrophobicContact CG-CG2 4.3Å; A262-V297 HydrophobicContact CB-CG2 4.34Å; V288-V297 HydrophobicContact CG1-CG1 3.5Å; V297-Y299 HydrophobicContact CB-CE2 4.24Å; V297-Y299 HydrophobicContact CG1-CD2 4.37Å; V297-Y299 HydrophobicContact CG1-CE2 3.78Å
298R89.5Confident82.7Confident87 Ų8768.7 Ų68.733%0.32838%0.384SS..EExtended strand (participates in β ladder)trans-98.6122.8178.9-173.9176.3-171.6130-4.4110D242 S254 E256 S289D242-R298 IonicContact OD2-NH2 2.71Å; D242-R298 PolarHBondContact OD2-NH2 2.73Å; S254-R298 PolarHBondContact OG-NE 2.65Å; S254-R298 PolarHBondContact OG-NH2 2.82Å; E256-R298 HydrophobicContact CG-CB 3.86Å; E256-R298 HydrophobicContact CG-CG 3.76Å; E256-R298 VanDerWaalsContact OE1-CD 3.32Å; E256-R298 WeakPolarHBondContact OE1-CD 3.41Å; E256-R298 IonicContact OE1-CZ 3.83Å; E256-R298 IonicContact OE1-NE 2.87Å; E256-R298 IonicContact OE1-NH1 2.69Å; E256-R298 PolarHBondContact OE1-NH1 2.85Å; S289-R298 PolarHBondContact N-O 2.75Å; S289-R298 PolarHBondContact O-N 3.28Å; S289-R298 PolarHBondContact OG-O 2.65Å
299Y90.8Very high82.4Confident19 Ų1973.4 Ų73.48%0.07540%0.4CS..EExtended strand (participates in β ladder)trans-97.4141.8170.9-63.1-96.4000108.6S254 W255 V257 P286 A287 V288 V297S254-Y299 CarbonylContact C-O 3.48Å; S254-Y299 WeakPolarHBondContact CA-O 3.08Å; S254-Y299 WeakPolarHBondContact CB-O 3.31Å; W255-Y299 AromaticContact CE2-CG 3.96Å; W255-Y299 HydrophobicContact CZ2-CG 4.2Å; W255-Y299 PolarHBondContact N-O 2.8Å; W255-Y299 AromaticContact NE1-CD2 3.68Å; W255-Y299 AromaticContact NE1-CG 3.64Å; W255-Y299 PolarHBondContact O-N 2.82Å; V257-Y299 HydrophobicContact CB-CE2 4.15Å; V257-Y299 HydrophobicContact CG2-CD2 3.95Å; V257-Y299 HydrophobicContact CG2-CE2 3.8Å; P286-Y299 HydrophobicContact CB-CD1 4.48Å; P286-Y299 HydrophobicContact CG-CD1 4.16Å; A287-Y299 CarbonylContact O-C 3.59Å; V288-Y299 HydrophobicContact CG1-CD1 4.47Å; V288-Y299 HydrophobicContact CG1-CE1 4.23Å; V288-Y299 HydrophobicContact CG2-CD1 3.77Å; V288-Y299 HydrophobicContact CG2-CE1 3.78Å; V297-Y299 HydrophobicContact CB-CE2 4.24Å; V297-Y299 HydrophobicContact CG1-CD2 4.37Å; V297-Y299 HydrophobicContact CG1-CE2 3.78Å
300S91.3Very high82.3Confident30 Ų3078.4 Ų78.421%0.2141%0.41CS..EExtended strand (participates in β ladder)trans-137.3146175.354.50000111.4C253 P286 A287C253-S300 CarbonylContact O-C 3.5Å; C253-S300 WeakPolarHBondContact O-CA 3.29Å; P286-S300 CarbonylContact C-O 3.56Å; P286-S300 VanDerWaalsContact CA-O 3.3Å; P286-S300 WeakPolarHBondContact CA-O 3.16Å; P286-S300 WeakPolarHBondContact CB-O 3.36Å; A287-S300 PolarHBondContact N-O 2.97Å; A287-S300 PolarHBondContact O-N 2.78Å; A287-S300 PolarHBondContact O-OG 2.69Å
301C92.2Very high82.6Confident2 Ų277.1 Ų77.11%0.01440%0.398CS..EExtended strand (participates in β ladder)trans-136.1110.3-179.6-1660000110.2T252 C253 W255 L269 C283T252-C301 WeakPolarHBondContact CA-O 3.44Å; C253-C301 PolarHBondContact N-O 2.96Å; C253-C301 PolarHBondContact O-N 2.83Å; W255-C301 HydrophobicContact CH2-CB 4.44Å; W255-C301 HydrophobicContact CZ3-CB 4.2Å; L269-C301 HydrophobicContact CD2-CB 4Å; C283-C301 HydrophobicContact CB-CB 3.9Å; C283-C301 WeakPolarHBondContact CB-SG 3.5Å; C283-C301 WeakPolarHBondContact SG-CB 3.37Å; C283-C301 CovalentContact SG-SG 2.02Å; C283-C301 PolarHBondContact SG-SG 2.85Å
302P90.8Very high83.2Confident86 Ų8677.8 Ų77.856%0.55840%0.399SS*.EExtended strand (participates in β ladder)trans-75.612816831.2-31.6000109.6
303L89.1Confident84.3Confident12 Ų1274.7 Ų74.76%0.06338%0.375CS..EExtended strand (participates in β ladder)trans-110.4132.4173.3-54.7178.2000108.6E250 V251 L269 C282 V306 L311 L313E250-L303 WeakPolarHBondContact CA-O 3.36Å; V251-L303 PolarHBondContact N-O 2.9Å; V251-L303 WeakPolarHBondContact O-CB 3.3Å; V251-L303 PolarHBondContact O-N 2.88Å; L269-L303 HydrophobicContact CD2-CD1 4.41Å; C282-L303 HydrophobicContact CB-CD2 3.88Å; L303-V306 HydrophobicContact CB-CG1 4.01Å; L303-V306 HydrophobicContact CB-CG2 4.2Å; L303-L311 HydrophobicContact CD1-CD2 4.11Å; L303-L313 HydrophobicContact CD1-CD2 4.18Å
304T85.6Confident85.3Confident96 Ų9668.2 Ų68.259%0.58935%0.353SS*.EExtended strand (participates in β ladder)trans-126.9154.9-177.955.50000111.6E250 V306E250-T304 HydrophobicContact CG-CG2 4.24Å; T304-V306 PolarHBondContact O-N 2.86Å
305D82.4Confident86.4Confident123 Ų12368 Ų6866%0.65835%0.347SS*.SBendtrans51.737.1-171.5-157.232.6000113.5K249K249-D305 WeakPolarHBondContact CD-OD1 3.39Å; K249-D305 IonicContact NZ-OD1 2.66Å; K249-D305 PolarHBondContact NZ-OD1 3.36Å; K249-D305 PolarHBondContact O-N 2.89Å; K249-D305 VanDerWaalsContact O-N 3.12Å
306V83.1Confident87Confident14 Ų1466.6 Ų66.69%0.08533%0.333CS..  trans-94.6149.3176-75.30000111.7K249 V251 L303 T304 P308 L311K249-V306 WeakPolarHBondContact O-CG2 3.34Å; K249-V306 PolarHBondContact O-N 3.46Å; V251-V306 HydrophobicContact CB-CG2 4.31Å; V251-V306 HydrophobicContact CG2-CG2 3.97Å; L303-V306 HydrophobicContact CB-CG1 4.01Å; L303-V306 HydrophobicContact CB-CG2 4.2Å; T304-V306 PolarHBondContact O-N 2.86Å; V306-P308 WeakPolarHBondContact O-CD 3.43Å; V306-L311 HydrophobicContact CB-CD2 4.08Å; V306-L311 HydrophobicContact CG1-CD2 3.79Å
307D83.9Confident87.2Confident75 Ų7567.5 Ų67.540%0.40134%0.343SS..  trans-98.8103.8169.7179.9-23.4000108.3E309 R310 L311D307-E309 PolarHBondContact O-N 2.88Å; D307-E309 PolarHBondContact OD1-N 2.95Å; D307-E309 VanDerWaalsContact OD1-N 3.15Å; D307-R310 HydrophobicContact CB-CB 4.47Å; D307-R310 PolarHBondContact O-N 2.91Å; D307-R310 WeakPolarHBondContact OD2-CD 3.48Å; D307-R310 WeakPolarHBondContact OD2-CG 3.32Å; D307-L311 WeakPolarHBondContact O-CB 3.47Å; D307-L311 PolarHBondContact O-N 2.93Å
308P81.2Confident87Confident67 Ų6768.1 Ų68.144%0.43535%0.35SS..THydrogen-bonded Turntrans-67.4-19.9-173-21.334.4000114.3L245 V251 V306 R310L245-P308 HydrophobicContact CD1-CB 4.48Å; L245-P308 HydrophobicContact CD1-CG 3.84Å; V251-P308 HydrophobicContact CG2-CG 4.38Å; V306-P308 WeakPolarHBondContact O-CD 3.43Å; P308-R310 VanDerWaalsContact C-N 3.33Å
309E81.6Confident86.7Confident186 Ų18671.4 Ų71.487%0.86937%0.368SS*.THydrogen-bonded Turntrans-79.9-18.1179.5-62.2-168169.400112.5D307D307-E309 PolarHBondContact O-N 2.88Å; D307-E309 PolarHBondContact OD1-N 2.95Å; D307-E309 VanDerWaalsContact OD1-N 3.15Å
310R83.9Confident86.3Confident165 Ų16574.2 Ų74.262%0.62339%0.385SS*.THydrogen-bonded Turntrans-121.5-21.9-168.7-53.2-178.684.8-168.3-1.1113.7D307 P308 Q312D307-R310 HydrophobicContact CB-CB 4.47Å; D307-R310 PolarHBondContact O-N 2.91Å; D307-R310 WeakPolarHBondContact OD2-CD 3.48Å; D307-R310 WeakPolarHBondContact OD2-CG 3.32Å; P308-R310 VanDerWaalsContact C-N 3.33Å; R310-Q312 PolarHBondContact O-N 2.96Å
311L86.4Confident85.9Confident32 Ų3276.8 Ų76.817%0.16841%0.408CS..  trans-71.8114.2179.3-170.575.4000112.1C271 R273 L303 V306 D307 L313C271-L311 HydrophobicContact CB-CD1 3.56Å; C271-L311 HydrophobicContact CB-CG 4.05Å; R273-L311 HydrophobicContact CG-CD1 3.91Å; L303-L311 HydrophobicContact CD1-CD2 4.11Å; V306-L311 HydrophobicContact CB-CD2 4.08Å; V306-L311 HydrophobicContact CG1-CD2 3.79Å; D307-L311 WeakPolarHBondContact O-CB 3.47Å; D307-L311 PolarHBondContact O-N 2.93Å; L311-L313 HydrophobicContact CD2-CD2 3.75Å; L311-L313 HydrophobicContact CG-CD2 4.05Å
312Q89.4Confident85.5Confident103 Ų10385.9 Ų85.948%0.48145%0.447SS..EExtended strand (participates in β ladder)trans-90.3138168-61.3-169.226.400110.9C271 Q272 F279 R310C271-Q312 CarbonylContact C-O 3.34Å; C271-Q312 WeakPolarHBondContact CA-O 3.14Å; C271-Q312 WeakPolarHBondContact CB-O 3.25Å; Q272-Q312 HydrophobicContact CB-CB 4.36Å; Q272-Q312 PolarHBondContact N-O 3.35Å; Q272-Q312 PolarHBondContact O-N 3.02Å; F279-Q312 HydrophobicContact CE1-CB 4.47Å; F279-Q312 HydrophobicContact CZ-CB 4.27Å; R310-Q312 PolarHBondContact O-N 2.96Å
313L90.4Very high85.3Confident59 Ų5988.3 Ų88.331%0.30946%0.461SS..EExtended strand (participates in β ladder)trans-112.9143.3-178.6-61.1179.2000111.6L241 C243 C253 L269 C271 L303 L311L241-L313 HydrophobicContact CD2-CB 4.15Å; L241-L313 HydrophobicContact CD2-CD1 4.12Å; C243-L313 VanDerWaalsContact SG-CD1 3.55Å; C253-L313 WeakPolarHBondContact SG-CD1 3.47Å; L269-L313 HydrophobicContact CD1-CB 4.36Å; L269-L313 HydrophobicContact CD1-CD2 4.38Å; C271-L313 HydrophobicContact CB-CD2 3.87Å; C271-L313 WeakPolarHBondContact SG-CD2 3.44Å; L303-L313 HydrophobicContact CD1-CD2 4.18Å; L311-L313 HydrophobicContact CD2-CD2 3.75Å; L311-L313 HydrophobicContact CG-CD2 4.05Å
314K88.9Confident85.2Confident93 Ų9393.6 Ų93.640%0.40448%0.483SS..EExtended strand (participates in β ladder)trans-141115.7174-174.8-170.5-179.7-161.10110.4K270 F279K270-K314 PolarHBondContact N-O 2.88Å; K270-K314 PolarHBondContact O-N 3.1Å; F279-K314 HydrophobicContact CD1-CB 3.75Å; F279-K314 HydrophobicContact CD1-CD 4.49Å; F279-K314 HydrophobicContact CE1-CB 3.58Å; F279-K314 HydrophobicContact CZ-CB 4.3Å
315L89.5Confident85.3Confident19 Ų1994.6 Ų94.610%0.09948%0.481CS..EExtended strand (participates in β ladder)trans-83.1117.7169.4-166.965.5000109V238 P239 L241 W255 Y267 L269V238-L315 HydrophobicContact CG1-CB 4.12Å; V238-L315 HydrophobicContact CG1-CD2 4.02Å; V238-L315 HydrophobicContact CG1-CG 4.24Å; P239-L315 HydrophobicContact CB-CD2 4.19Å; L241-L315 HydrophobicContact CD1-CD1 4.49Å; L241-L315 HydrophobicContact CD1-CD2 4.48Å; W255-L315 HydrophobicContact CB-CD2 3.94Å; W255-L315 HydrophobicContact CD2-CD1 3.77Å; W255-L315 HydrophobicContact CD2-CD2 4.28Å; W255-L315 HydrophobicContact CE3-CD1 4.09Å; W255-L315 HydrophobicContact CG-CD1 4.17Å; W255-L315 HydrophobicContact CG-CD2 3.82Å; W255-L315 HydrophobicContact CH2-CD1 4.46Å; W255-L315 HydrophobicContact CZ2-CD1 4.15Å; W255-L315 HydrophobicContact CZ3-CD1 4.44Å; Y267-L315 HydrophobicContact CD1-CD2 4.35Å; Y267-L315 HydrophobicContact CD1-CG 4.15Å; Y267-L315 HydrophobicContact CG-CD2 4.4Å; Y267-L315 HydrophobicContact CG-CG 4.27Å; L269-L315 HydrophobicContact CB-CD1 4.42Å
316Q87.1Confident85.5Confident67 Ų6792.8 Ų92.831%0.31348%0.479SS..EExtended strand (participates in β ladder)trans-118.2128.5-176.6-175.4170-57.300111Y267 Q268Y267-Q316 CarbonylContact C-O 3.55Å; Y267-Q316 WeakPolarHBondContact CA-O 3.15Å; Q268-Q316 PolarHBondContact N-O 2.95Å; Q268-Q316 PolarHBondContact O-N 2.91Å
317P87Confident85.6Confident71 Ų7195.9 Ų95.946%0.46149%0.492SS..EExtended strand (participates in β ladder)trans-65.8144175.527.2-34.4000111.6V265 Y267V265-P317 HydrophobicContact CG1-CB 4.1Å; Y267-P317 HydrophobicContact CD1-CB 3.99Å; Y267-P317 HydrophobicContact CE1-CB 3.78Å
318A83.8Confident85.7Confident25 Ų2596.2 Ų96.221%0.20749%0.49CS..EExtended strand (participates in β ladder)trans-142.915217500000109.7V265 T266 Q268V265-A318 WeakPolarHBondContact CA-O 3.27Å; T266-A318 HydrophobicContact CG2-CB 4.17Å; T266-A318 PolarHBondContact N-O 2.82Å; T266-A318 PolarHBondContact O-N 2.94Å; Q268-A318 HydrophobicContact CG-CB 4.12Å
319H82.4Confident86.1Confident155 Ų15598.4 Ų98.472%0.71849%0.494SS*.EExtended strand (participates in β ladder)trans-73138.2174.7-73.7-64.2000111.3A321H319-A321 PolarHBondContact O-N 3.38Å
320N81.7Confident86.3Confident79 Ų7991.6 Ų91.642%0.42246%0.463SS..  trans-71.6112.9170.6-106.2-29.9000109.2A262 H264 T266A262-N320 PolarHBondContact O-ND2 2.97Å; H264-N320 PolarHBondContact O-N 2.82Å; H264-N320 VanDerWaalsContact O-N 3.15Å; T266-N320 WeakPolarHBondContact CB-OD1 3.41Å; T266-N320 WeakPolarHBondContact CG2-OD1 3.27Å
321A82.6Confident86.6Confident83 Ų8389.4 Ų89.469%0.68646%0.455SS*.  trans-134.9137.4-17100000111.5H319H319-A321 PolarHBondContact O-N 3.38Å
322K85.7Confident86.7Confident193 Ų19388.5 Ų88.584%0.83945%0.451SS*.  trans-106.497.3172-174.5-180180-179.40109.8F324K322-F324 PolarHBondContact O-N 3.35Å
323T86.2Confident86.7Confident138 Ų13889 Ų8985%0.84746%0.457SS*.  trans-63.9131172.1-51.30000110.1
324F87.4Confident86.8Confident123 Ų12388.2 Ų88.254%0.53946%0.456SS..  trans-126.9143.9170.170.1-87.9000109.7K322 S326 H329K322-F324 PolarHBondContact O-N 3.35Å; F324-S326 PolarHBondContact O-N 2.97Å; F324-H329 HydrophobicContact CD2-CB 3.82Å; F324-H329 AromaticContact CD2-CG 3.81Å; F324-H329 AromaticContact CD2-ND1 3.97Å; F324-H329 HydrophobicContact CE2-CB 4.32Å
325Q87.8Confident86.9Confident116 Ų11684 Ų8454%0.54244%0.438SS..  trans-81.4110.1175.5-68.5176.6-7.700108.5H327 K328 H329Q325-H327 PolarHBondContact O-N 2.85Å; Q325-H327 VanDerWaalsContact O-N 3.12Å; Q325-H327 PolarHBondContact OE1-NE2 2.84Å; Q325-K328 HydrophobicContact CB-CB 4.24Å; Q325-K328 HydrophobicContact CB-CG 4.22Å; Q325-K328 WeakPolarHBondContact O-CA 3.23Å; Q325-K328 PolarHBondContact O-N 2.86Å; Q325-H329 PolarHBondContact O-N 3.44Å; Q325-H329 PolarHBondContact O-ND1 3.38Å
326S85.8Confident86.9Confident86 Ų8686.4 Ų86.460%0.60145%0.454SS*.G310 helixtrans-53.2-38.6-175.8-37.50000112.5F324 K328 H329 I330F324-S326 PolarHBondContact O-N 2.97Å; S326-K328 PolarHBondContact O-N 3.1Å; S326-H329 PolarHBondContact O-N 3.03Å; S326-H329 VanDerWaalsContact O-N 3.11Å; S326-I330 WeakPolarHBondContact O-CG1 3.49Å
327H85Confident87Confident79 Ų7988.9 Ų88.937%0.36647%0.465SS..G310 helixtrans-67.4-14.1177.970.4-108.4000114.3Q325 K416 Y417 G418Q325-H327 PolarHBondContact O-N 2.85Å; Q325-H327 VanDerWaalsContact O-N 3.12Å; Q325-H327 PolarHBondContact OE1-NE2 2.84Å; H327-K416 PolarHBondContact CD2-O 3.22Å; H327-Y417 HydrophobicContact CB-CD1 3.85Å; H327-Y417 HydrophobicContact CB-CE1 4.05Å; H327-Y417 CarbonylContact O-C 3.59Å; H327-Y417 WeakPolarHBondContact O-CA 3.04Å; H327-G418 PolarHBondContact O-N 3.2Å
328K86.1Confident87.3Confident81 Ų8186.6 Ų86.635%0.35245%0.45SS..G310 helixtrans-102.5-4172.9-65.9-53.8-172.3-176.30114.1Q325 S326 S415 K416 Y417 G418 G419Q325-K328 HydrophobicContact CB-CB 4.24Å; Q325-K328 HydrophobicContact CB-CG 4.22Å; Q325-K328 WeakPolarHBondContact O-CA 3.23Å; Q325-K328 PolarHBondContact O-N 2.86Å; S326-K328 PolarHBondContact O-N 3.1Å; K328-S415 PolarHBondContact NZ-O 3.09Å; K328-K416 WeakPolarHBondContact CE-O 3.39Å; K328-K416 PolarHBondContact NZ-O 3.22Å; K328-Y417 PolarHBondContact NZ-O 3.27Å; K328-Y417 VanDerWaalsContact NZ-O 3.13Å; K328-G418 VanDerWaalsContact C-C 3.47Å; K328-G418 CarbonylContact C-O 3.38Å; K328-G418 WeakPolarHBondContact CA-O 3.4Å; K328-G418 CarbonylContact O-C 3.47Å; K328-G418 VanDerWaalsContact O-C 3.28Å; K328-G419 PolarHBondContact O-N 3.34Å
329H89.3Confident87.7Confident114 Ų11490.7 Ų90.753%0.52846%0.463SS..SBendtrans-12533.8-174.5-62.275.9000111.2F324 Q325 S326 G418F324-H329 HydrophobicContact CD2-CB 3.82Å; F324-H329 AromaticContact CD2-CG 3.81Å; F324-H329 AromaticContact CD2-ND1 3.97Å; F324-H329 HydrophobicContact CE2-CB 4.32Å; Q325-H329 PolarHBondContact O-N 3.44Å; Q325-H329 PolarHBondContact O-ND1 3.38Å; S326-H329 PolarHBondContact O-N 3.03Å; S326-H329 VanDerWaalsContact O-N 3.11Å; H329-G418 PolarHBondContact N-O 2.96Å
330I86.8Confident88.2Confident43 Ų4385 Ų8522%0.22144%0.439CS..BIsolated β-bridgetrans-72.6135.1178.9-61.2177.7000109.2S326 P332 V409 Y417 G418 G419 I420S326-I330 WeakPolarHBondContact O-CG1 3.49Å; I330-P332 HydrophobicContact CG2-CG 4.28Å; I330-V409 HydrophobicContact CB-CG2 3.97Å; I330-V409 HydrophobicContact CG2-CG2 3.73Å; I330-Y417 HydrophobicContact CD1-CD1 3.68Å; I330-Y417 HydrophobicContact CD1-CE1 4.45Å; I330-Y417 HydrophobicContact CD1-CG 4.32Å; I330-G418 PolarHBondContact N-O 3.46Å; I330-G418 VanDerWaalsContact N-O 3.16Å; I330-G419 CarbonylContact O-C 3.52Å; I330-G419 WeakPolarHBondContact O-CA 3.41Å; I330-I420 PolarHBondContact O-N 2.91Å
331R90.1Very high88.6Confident118 Ų11883.8 Ų83.845%0.44544%0.437SS..  trans-116.4110159.8-172.7172.3-150-159.61.2108I420 P421 E423R331-I420 HydrophobicContact CB-CD1 4.42Å; R331-I420 HydrophobicContact CB-CG1 4.03Å; R331-I420 HydrophobicContact CG-CD1 4.24Å; R331-I420 HydrophobicContact CG-CG1 4Å; R331-P421 PolarHBondContact NE-O 2.95Å; R331-P421 VanDerWaalsContact NE-O 3.15Å; R331-E423 IonicContact CZ-OE1 2.76Å; R331-E423 IonicContact CZ-OE2 2.73Å; R331-E423 IonicContact NH1-OE1 3.75Å; R331-E423 PolarHBondContact NH1-OE1 2.92Å; R331-E423 IonicContact NH2-OE1 3.09Å; R331-E423 PolarHBondContact NH2-OE1 3.05Å; R331-E423 IonicContact NH2-OE2 2.91Å; R331-E423 PolarHBondContact NH2-OE2 3.26Å
332P88.4Confident88.9Confident13 Ų1384.9 Ų84.98%0.08443%0.428CS..PPolyproline II helixtrans-63157.9174.7-26.238.4000112.6I330 L361 S407 V409 I420 S422I330-P332 HydrophobicContact CG2-CG 4.28Å; P332-L361 HydrophobicContact CB-CD2 3.97Å; P332-L361 HydrophobicContact CG-CD2 3.89Å; P332-S407 WeakPolarHBondContact CB-OG 3.42Å; P332-V409 HydrophobicContact CG-CG2 3.74Å; P332-I420 WeakPolarHBondContact CD-O 3.46Å; P332-S422 WeakPolarHBondContact O-CA 3.44Å; P332-S422 WeakPolarHBondContact O-CB 3.39Å
333N89.7Confident88.9Confident114 Ų11479.7 Ų79.761%0.6141%0.409SS*.PPolyproline II helixtrans-74.6151.7167.9-69.1-22.6000110.4P354 S407N333-P354 HydrophobicContact CB-CB 3.72Å; N333-P354 HydrophobicContact CB-CG 4.35Å; N333-S407 PolarHBondContact O-OG 3.13Å
334S91.4Very high88.6Confident43 Ų4381.1 Ų81.130%0.30141%0.412SS..PPolyproline II helixtrans-64.5148.3174.342.20000111.4E423S334-E423 WeakPolarHBondContact CB-O 3.43Å
335P91.4Very high88.2Confident4 Ų476.3 Ų76.33%0.02640%0.397CS..PPolyproline II helixtrans-57.3148.6169-23.835.2000112W351 Y363 V405P335-W351 HydrophobicContact CB-CB 4.08Å; P335-W351 HydrophobicContact CB-CG 4.11Å; P335-Y363 HydrophobicContact CG-CD1 3.85Å; P335-Y363 HydrophobicContact CG-CE1 3.97Å; P335-V405 HydrophobicContact CB-CB 4.31Å; P335-V405 HydrophobicContact CB-CG1 4.45Å; P335-V405 WeakPolarHBondContact CD-O 3.05Å; P335-V405 HydrophobicContact CG-CB 4.02Å; P335-V405 HydrophobicContact CG-CG1 3.87Å
336V89.7Confident88.2Confident70 Ų7072.8 Ų72.842%0.42438%0.382SS..EExtended strand (participates in β ladder)trans-117.6157.9-178-58.90000111.2V338 S352V336-V338 PolarHBondContact O-N 2.76Å; V336-S352 PolarHBondContact N-O 2.84Å; V336-S352 VanDerWaalsContact N-O 3.13Å; V336-S352 WeakPolarHBondContact O-CA 3.35Å; V336-S352 WeakPolarHBondContact O-CB 3.46Å; V336-S352 PolarHBondContact O-N 3.37Å
337Q89.1Confident88.4Confident118 Ų11869.9 Ų69.955%0.55136%0.358SS*.EExtended strand (participates in β ladder)trans54.644.7-178.1-53.1-173.947.900114.1K339Q337-K339 PolarHBondContact O-N 2.76Å
338V92.3Very high88.7Confident23 Ų2366.7 Ų66.714%0.13934%0.344CS..EExtended strand (participates in β ladder)trans-60.9127.2169.9-174.30000108.9V336 V349 E350 W351 V405 S425 A428V336-V338 PolarHBondContact O-N 2.76Å; V338-V349 HydrophobicContact CG1-CG1 3.99Å; V338-E350 CarbonylContact C-O 3.58Å; V338-E350 WeakPolarHBondContact CA-O 3.39Å; V338-W351 HydrophobicContact CG2-CB 4.03Å; V338-V405 HydrophobicContact CG1-CG2 3.88Å; V338-V405 HydrophobicContact CG2-CB 4.3Å; V338-V405 HydrophobicContact CG2-CG2 3.89Å; V338-S425 WeakPolarHBondContact CG2-OG 3.39Å; V338-A428 HydrophobicContact CB-CB 4.3Å; V338-A428 HydrophobicContact CG1-CB 3.83Å
339K92.7Very high89.1Confident112 Ų11262.9 Ų62.949%0.48733%0.327SS..EExtended strand (participates in β ladder)trans-136.4147.7-177.2-70.9164.1-169.5157.20109.1Q337 V349 E350Q337-K339 PolarHBondContact O-N 2.76Å; K339-V349 CarbonylContact O-C 3.54Å; K339-V349 WeakPolarHBondContact O-CA 3.38Å; K339-E350 PolarHBondContact N-O 2.94Å; K339-E350 PolarHBondContact O-N 2.97Å
340V92.9Very high89.3Confident35 Ų3562.2 Ų62.221%0.21233%0.325CS..EExtended strand (participates in β ladder)trans-121.5137.9175.5-166.80000108.7W347 V348 V349 V403 A428 W430V340-W347 HydrophobicContact CG1-CB 4.23Å; V340-W347 HydrophobicContact CG1-CE3 3.9Å; V340-V348 WeakPolarHBondContact CA-O 3.28Å; V340-V349 HydrophobicContact CG1-CG2 4.21Å; V340-V349 HydrophobicContact CG2-CG1 4.48Å; V340-V349 HydrophobicContact CG2-CG2 4.22Å; V340-V403 HydrophobicContact CG2-CG1 3.52Å; V340-A428 HydrophobicContact CG2-CB 3.93Å; V340-W430 HydrophobicContact CB-CB 4.29Å; V340-W430 HydrophobicContact CB-CG 4.43Å; V340-W430 HydrophobicContact CG1-CB 4.16Å; V340-W430 HydrophobicContact CG1-CD2 3.86Å; V340-W430 HydrophobicContact CG1-CE3 4.27Å; V340-W430 HydrophobicContact CG1-CG 3.83Å; V340-W430 HydrophobicContact CG2-CD2 4.47Å; V340-W430 HydrophobicContact CG2-CE3 4.09Å
341S90.3Very high89.6Confident54 Ų5460.5 Ų60.538%0.37832%0.315SS..EExtended strand (participates in β ladder)trans-142.4143.2-178.260.30000111.3W347 V348S341-W347 CarbonylContact O-C 3.47Å; S341-W347 WeakPolarHBondContact O-CA 3.41Å; S341-V348 PolarHBondContact N-O 3.44Å; S341-V348 PolarHBondContact O-N 3.2Å; S341-V348 PolarHBondContact OG-O 2.86Å
342E88.6Confident89.6Confident105 Ų10556.8 Ų56.849%0.49131%0.307SS..EExtended strand (participates in β ladder)trans-84.1132176.1-170.4173.9-157.600110.5D346 W347 N433E342-D346 CarbonylContact C-O 3.28Å; E342-D346 WeakPolarHBondContact CA-O 3.47Å; E342-W347 HydrophobicContact CB-CD2 4.47Å; E342-W347 HydrophobicContact CB-CE3 3.99Å; E342-W347 HydrophobicContact CB-CH2 3.97Å; E342-W347 HydrophobicContact CB-CZ2 4.39Å; E342-W347 HydrophobicContact CB-CZ3 3.75Å; E342-W347 HydrophobicContact CG-CH2 4.42Å; E342-W347 HydrophobicContact CG-CZ2 4.37Å; E342-N433 WeakPolarHBondContact OE1-CB 3.46Å; E342-N433 PolarHBondContact OE1-ND2 3.13Å
343N85.2Confident89.5Confident85 Ų8559.1 Ų59.146%0.45532%0.323SS..EExtended strand (participates in β ladder)trans-135.3108.5176.5-175.68.3000109.6G345 D346 V348N343-G345 PolarHBondContact O-N 3.29Å; N343-D346 PolarHBondContact N-O 2.86Å; N343-D346 PolarHBondContact O-N 3.02Å; N343-V348 HydrophobicContact CB-CG2 3.83Å
344N81.9Confident89.1Confident167 Ų16754.1 Ų54.189%0.89330%0.296SS*.THydrogen-bonded Turntrans53.622.6-179.8-61.3-52000115.7
345G78.1Confident88Confident23 Ų2355.9 Ų55.924%0.23731%0.314CS..THydrogen-bonded Turntrans101.3-7.8179.800000115.2N343 G392 N433N343-G345 PolarHBondContact O-N 3.29Å; G345-G392 WeakPolarHBondContact O-CA 3.37Å; G345-N433 PolarHBondContact O-ND2 2.91Å
346D88.3Confident86.7Confident42 Ų4265 Ų6523%0.22536%0.356CS..EExtended strand (participates in β ladder)trans-96.2169.3166.6-68.1-23.2000111.1E342 N343 N389 L391 G392E342-D346 CarbonylContact C-O 3.28Å; E342-D346 WeakPolarHBondContact CA-O 3.47Å; N343-D346 PolarHBondContact N-O 2.86Å; N343-D346 PolarHBondContact O-N 3.02Å; D346-N389 VanDerWaalsContact CB-OD1 3.26Å; D346-N389 WeakPolarHBondContact CB-OD1 3.31Å; D346-N389 PolarHBondContact OD2-ND2 3.12Å; D346-L391 WeakPolarHBondContact OD1-CA 3.41Å; D346-G392 PolarHBondContact OD1-N 2.72Å
347W89.1Confident85.4Confident24 Ų2464.1 Ų64.19%0.09136%0.356CS..EExtended strand (participates in β ladder)trans-117110.9-177.2-63.891.1000111.9V340 S341 E342 I390 L395 W430 T431 N433V340-W347 HydrophobicContact CG1-CB 4.23Å; V340-W347 HydrophobicContact CG1-CE3 3.9Å; S341-W347 CarbonylContact O-C 3.47Å; S341-W347 WeakPolarHBondContact O-CA 3.41Å; E342-W347 HydrophobicContact CB-CD2 4.47Å; E342-W347 HydrophobicContact CB-CE3 3.99Å; E342-W347 HydrophobicContact CB-CH2 3.97Å; E342-W347 HydrophobicContact CB-CZ2 4.39Å; E342-W347 HydrophobicContact CB-CZ3 3.75Å; E342-W347 HydrophobicContact CG-CH2 4.42Å; E342-W347 HydrophobicContact CG-CZ2 4.37Å; W347-I390 HydrophobicContact CB-CB 4.36Å; W347-I390 PolarHBondContact N-O 3.27Å; W347-I390 PolarHBondContact O-N 3.01Å; W347-L395 VanDerWaalsContact CD1-CD1 3.48Å; W347-L395 HydrophobicContact CG-CD1 4.32Å; W347-W430 AromaticContact CD1-NE1 3.71Å; W347-W430 AromaticContact CD2-CD1 3.3Å; W347-W430 HydrophobicContact CD2-CG 4.39Å; W347-W430 AromaticContact CD2-NE1 3.33Å; W347-W430 VanDerWaalsContact CD2-NE1 3.33Å; W347-W430 AromaticContact CE2-CD1 3.54Å; W347-W430 AromaticContact CE2-NE1 3.63Å; W347-W430 AromaticContact CE3-CD1 3.37Å; W347-W430 HydrophobicContact CE3-CG 4.15Å; W347-W430 AromaticContact CE3-NE1 3.84Å; W347-W430 AromaticContact CG-CD1 3.89Å; W347-W430 AromaticContact CG-NE1 3.38Å; W347-W430 AromaticContact CH2-CD1 3.82Å; W347-W430 AromaticContact CZ2-CD1 3.81Å; W347-W430 HydrophobicContact CZ3-CB 4.36Å; W347-W430 AromaticContact CZ3-CD1 3.61Å; W347-W430 HydrophobicContact CZ3-CG 4.31Å; W347-W430 AromaticContact NE1-NE1 3.85Å; W347-T431 VanDerWaalsContact CH2-O 3.3Å; W347-T431 WeakPolarHBondContact CH2-O 2.98Å; W347-T431 VanDerWaalsContact CZ2-O 3.23Å; W347-T431 WeakPolarHBondContact CZ2-O 3.34Å; W347-N433 HydrophobicContact CZ2-CB 4.34Å
348V92.4Very high84.1Confident13 Ų1363.3 Ų63.38%0.07937%0.369CS..EExtended strand (participates in β ladder)trans-86.2116.5174.4-174.80000108.8V340 S341 N343 E350 W387 V388V340-V348 WeakPolarHBondContact CA-O 3.28Å; S341-V348 PolarHBondContact N-O 3.44Å; S341-V348 PolarHBondContact O-N 3.2Å; S341-V348 PolarHBondContact OG-O 2.86Å; N343-V348 HydrophobicContact CB-CG2 3.83Å; V348-E350 HydrophobicContact CG1-CG 3.91Å; V348-W387 HydrophobicContact CG1-CB 4.46Å; V348-W387 HydrophobicContact CG1-CE3 4.1Å; V348-V388 WeakPolarHBondContact CA-O 3.46Å
349V93.4Very high83.1Confident0 Ų063.8 Ų63.80%037%0.372CS..EExtended strand (participates in β ladder)trans-95.3121170.3-174.50000107.8V338 K339 V340 W351 W387 V388 I390 V403V338-V349 HydrophobicContact CG1-CG1 3.99Å; K339-V349 CarbonylContact O-C 3.54Å; K339-V349 WeakPolarHBondContact O-CA 3.38Å; V340-V349 HydrophobicContact CG1-CG2 4.21Å; V340-V349 HydrophobicContact CG2-CG1 4.48Å; V340-V349 HydrophobicContact CG2-CG2 4.22Å; V349-W351 HydrophobicContact CG1-CE3 4.34Å; V349-W351 HydrophobicContact CG1-CZ3 4.49Å; V349-W351 WeakPolarHBondContact O-CZ3 3.42Å; V349-W387 CarbonylContact O-C 3.57Å; V349-W387 WeakPolarHBondContact O-CA 3.31Å; V349-W387 WeakPolarHBondContact O-CB 3.49Å; V349-V388 HydrophobicContact CB-CG1 4.1Å; V349-V388 PolarHBondContact N-O 3.02Å; V349-V388 PolarHBondContact O-N 2.95Å; V349-I390 HydrophobicContact CG2-CD1 3.67Å; V349-I390 HydrophobicContact CG2-CG1 4.26Å; V349-V403 HydrophobicContact CG1-CG1 4.08Å; V349-V403 HydrophobicContact CG1-CG2 4.13Å; V349-V403 HydrophobicContact CG2-CG1 4.18Å; V349-V403 HydrophobicContact CG2-CG2 4.34Å
350E93.9Very high82.5Confident100 Ų10065.1 Ų65.147%0.46738%0.378SS..EExtended strand (participates in β ladder)trans-115.8148.7177.3-58.4-167.4138.700110.5V338 K339 V348 W387V338-E350 CarbonylContact C-O 3.58Å; V338-E350 WeakPolarHBondContact CA-O 3.39Å; K339-E350 PolarHBondContact N-O 2.94Å; K339-E350 PolarHBondContact O-N 2.97Å; V348-E350 HydrophobicContact CG1-CG 3.91Å; E350-W387 HydrophobicContact CG-CB 4.08Å
351W92.8Very high82.2Confident8 Ų864.3 Ų64.33%0.0337%0.372CS..EExtended strand (participates in β ladder)trans-143.5154.7172.658.292.8000111.3P335 V338 V349 Y363 V365 I381 T386 W387 V388 V405P335-W351 HydrophobicContact CB-CB 4.08Å; P335-W351 HydrophobicContact CB-CG 4.11Å; V338-W351 HydrophobicContact CG2-CB 4.03Å; V349-W351 HydrophobicContact CG1-CE3 4.34Å; V349-W351 HydrophobicContact CG1-CZ3 4.49Å; V349-W351 WeakPolarHBondContact O-CZ3 3.42Å; W351-Y363 AromaticContact CE2-CD2 3.99Å; W351-Y363 AromaticContact CE2-CG 3.8Å; W351-Y363 AromaticContact CZ2-CD2 3.93Å; W351-Y363 HydrophobicContact CZ2-CD2 3.93Å; W351-Y363 AromaticContact CZ2-CG 3.84Å; W351-Y363 HydrophobicContact CZ2-CG 3.84Å; W351-Y363 AromaticContact NE1-CD1 3.38Å; W351-Y363 AromaticContact NE1-CD2 3.43Å; W351-Y363 AromaticContact NE1-CE1 3.62Å; W351-Y363 AromaticContact NE1-CE2 3.67Å; W351-Y363 AromaticContact NE1-CG 3.29Å; W351-Y363 VanDerWaalsContact NE1-CG 3.29Å; W351-Y363 AromaticContact NE1-CZ 3.78Å; W351-V365 HydrophobicContact CE3-CG2 4.49Å; W351-V365 HydrophobicContact CH2-CG2 3.7Å; W351-V365 HydrophobicContact CZ3-CG2 3.68Å; W351-I381 HydrophobicContact CH2-CD1 4.29Å; W351-I381 HydrophobicContact CH2-CG1 3.89Å; W351-I381 HydrophobicContact CH2-CG2 4.07Å; W351-I381 HydrophobicContact CZ2-CG1 4.18Å; W351-I381 HydrophobicContact CZ2-CG2 4Å; W351-T386 VanDerWaalsContact CE2-C 3.47Å; W351-T386 PolarHBondContact N-O 2.98Å; W351-T386 WeakPolarHBondContact O-CB 3.39Å; W351-W387 VanDerWaalsContact CH2-C 3.44Å; W351-W387 VanDerWaalsContact CZ3-CA 3.45Å; W351-V388 HydrophobicContact CH2-CB 4.37Å; W351-V388 HydrophobicContact CZ3-CB 4.41Å; W351-V388 HydrophobicContact CZ3-CG1 4.2Å; W351-V405 HydrophobicContact CD2-CB 4.45Å; W351-V405 HydrophobicContact CD2-CG1 3.82Å; W351-V405 HydrophobicContact CD2-CG2 4.1Å; W351-V405 HydrophobicContact CE3-CG1 4.17Å; W351-V405 HydrophobicContact CE3-CG2 3.83Å; W351-V405 HydrophobicContact CG-CG1 4.17Å; W351-V405 HydrophobicContact CG-CG2 4.41Å; W351-V405 HydrophobicContact CZ2-CG1 4.27Å; W351-V405 HydrophobicContact CZ3-CG2 4.43Å
352S89.8Confident82.1Confident39 Ų3964.1 Ų64.127%0.27337%0.367SS..EExtended strand (participates in β ladder)trans-87.8139.6168-58.90000110V336V336-S352 PolarHBondContact N-O 2.84Å; V336-S352 VanDerWaalsContact N-O 3.13Å; V336-S352 WeakPolarHBondContact O-CA 3.35Å; V336-S352 WeakPolarHBondContact O-CB 3.46Å; V336-S352 PolarHBondContact O-N 3.37Å
353P86.2Confident82.2Confident63 Ų6359.8 Ų59.841%0.40935%0.346SS..PPolyproline II helixtrans-59.5149.3167.828.5-35.2000109.6A355 Y363P353-A355 PolarHBondContact O-N 2.71Å; P353-Y363 WeakPolarHBondContact CB-OH 3.48Å
354P82Confident82.6Confident9 Ų956.9 Ų56.96%0.05833%0.33CS..PPolyproline II helixtrans-59.3141.5170.826.3-34000110.2N333 A357 L361N333-P354 HydrophobicContact CB-CB 3.72Å; N333-P354 HydrophobicContact CB-CG 4.35Å; P354-A357 HydrophobicContact CG-CB 4.5Å; P354-L361 HydrophobicContact CG-CD1 3.6Å
355A67Low83.2Confident80 Ų8048.9 Ų48.966%0.66129%0.287SS*.THydrogen-bonded Turntrans-58.1151.5173.400000110.9P353 A357P353-A355 PolarHBondContact O-N 2.71Å; A355-A357 VanDerWaalsContact C-N 3.26Å; A355-A357 PolarHBondContact O-N 3.28Å
356E65.2Low83.9Confident196 Ų19651 Ų5192%0.91629%0.288SS*.THydrogen-bonded Turntrans63.422174.8-52.7-179.3177.400115.5A358E356-A358 VanDerWaalsContact C-N 3.34Å; E356-A358 PolarHBondContact O-N 3.44Å
357A61.9Low84.1Confident51 Ų5150 Ų5042%0.42128%0.281SS..  trans-64.284174.600000113.2P354 A355 T359 L361P354-A357 HydrophobicContact CG-CB 4.5Å; A355-A357 VanDerWaalsContact C-N 3.26Å; A355-A357 PolarHBondContact O-N 3.28Å; A357-T359 PolarHBondContact O-N 2.99Å; A357-T359 VanDerWaalsContact O-N 3.07Å; A357-L361 HydrophobicContact CB-CD1 3.93Å; A357-L361 HydrophobicContact CB-CG 4.45Å
358A62.9Low84.2Confident100 Ų10049.3 Ų49.383%0.82628%0.279SS*.  trans-68.5-1.8-178.200000115.3E356E356-A358 VanDerWaalsContact C-N 3.34Å; E356-A358 PolarHBondContact O-N 3.44Å
359T71.4Confident84Confident33 Ų3350.9 Ų50.920%0.20229%0.285CS..SBendtrans-137.6154.3175.860.80000110.1A357 L361 Y417A357-T359 PolarHBondContact O-N 2.99Å; A357-T359 VanDerWaalsContact O-N 3.07Å; T359-L361 PolarHBondContact O-N 2.93Å; T359-Y417 HydrophobicContact CG2-CD1 4.15Å; T359-Y417 HydrophobicContact CG2-CD2 3.93Å; T359-Y417 HydrophobicContact CG2-CE1 3.93Å; T359-Y417 HydrophobicContact CG2-CE2 3.7Å; T359-Y417 HydrophobicContact CG2-CG 4.16Å
360K80.1Confident83.6Confident141 Ų14153.6 Ų53.661%0.61331%0.308SS*.  trans-61130.5176.5-70-169.7174.8-175.20111E383 A410K360-E383 WeakPolarHBondContact CD-OE1 3.05Å; K360-E383 WeakPolarHBondContact CE-OE1 3.42Å; K360-E383 IonicContact NZ-OE1 3.23Å; K360-E383 PolarHBondContact NZ-OE1 2.97Å; K360-A410 HydrophobicContact CB-CB 4.22Å; K360-A410 PolarHBondContact O-N 2.83Å
361L85.4Confident82.9Confident17 Ų1753 Ų539%0.08931%0.314CS..EExtended strand (participates in β ladder)trans-105.3143.9175.5-59.2177.5000111P332 P354 A357 T359 Y363 L408P332-L361 HydrophobicContact CB-CD2 3.97Å; P332-L361 HydrophobicContact CG-CD2 3.89Å; P354-L361 HydrophobicContact CG-CD1 3.6Å; A357-L361 HydrophobicContact CB-CD1 3.93Å; A357-L361 HydrophobicContact CB-CG 4.45Å; T359-L361 PolarHBondContact O-N 2.93Å; L361-Y363 HydrophobicContact CB-CE1 4.37Å; L361-L408 CarbonylContact C-O 3.53Å; L361-L408 VanDerWaalsContact CA-O 3.27Å; L361-L408 WeakPolarHBondContact CA-O 3.46Å
362L88.2Confident82Confident51 Ų5155.9 Ų55.927%0.26733%0.331SS..EExtended strand (participates in β ladder)trans-99.1164.3160.1-56.7177.7000108.3E383 S407 L408 A410L362-E383 HydrophobicContact CD2-CB 3.68Å; L362-E383 HydrophobicContact CD2-CG 3.84Å; L362-S407 CarbonylContact O-C 3.44Å; L362-S407 WeakPolarHBondContact O-CA 3.39Å; L362-L408 HydrophobicContact CB-CB 4.39Å; L362-L408 PolarHBondContact N-O 3.35Å; L362-L408 PolarHBondContact O-N 2.81Å; L362-A410 HydrophobicContact CD1-CB 4.48Å; L362-A410 HydrophobicContact CG-CB 4.15Å
363Y90.8Very high80.7Confident14 Ų1461.5 Ų61.56%0.05535%0.353CS..EExtended strand (participates in β ladder)trans-127.7151.3177.8-57.7-77.9000111.4P335 W351 P353 L361 I381 S385 T386 V405 R406P335-Y363 HydrophobicContact CG-CD1 3.85Å; P335-Y363 HydrophobicContact CG-CE1 3.97Å; W351-Y363 AromaticContact CE2-CD2 3.99Å; W351-Y363 AromaticContact CE2-CG 3.8Å; W351-Y363 AromaticContact CZ2-CD2 3.93Å; W351-Y363 HydrophobicContact CZ2-CD2 3.93Å; W351-Y363 AromaticContact CZ2-CG 3.84Å; W351-Y363 HydrophobicContact CZ2-CG 3.84Å; W351-Y363 AromaticContact NE1-CD1 3.38Å; W351-Y363 AromaticContact NE1-CD2 3.43Å; W351-Y363 AromaticContact NE1-CE1 3.62Å; W351-Y363 AromaticContact NE1-CE2 3.67Å; W351-Y363 AromaticContact NE1-CG 3.29Å; W351-Y363 VanDerWaalsContact NE1-CG 3.29Å; W351-Y363 AromaticContact NE1-CZ 3.78Å; P353-Y363 WeakPolarHBondContact CB-OH 3.48Å; L361-Y363 HydrophobicContact CB-CE1 4.37Å; Y363-I381 WeakPolarHBondContact O-CB 3.23Å; Y363-I381 WeakPolarHBondContact O-CG1 3.46Å; Y363-I381 PolarHBondContact O-N 3.49Å; Y363-S385 VanDerWaalsContact CD2-O 3.29Å; Y363-S385 WeakPolarHBondContact CD2-O 3.38Å; Y363-T386 HydrophobicContact CE2-CG2 4.45Å; Y363-V405 HydrophobicContact CD1-CG1 4.39Å; Y363-R406 WeakPolarHBondContact CA-O 3.16Å
364Q93.4Very high79.7Confident23 Ų2361.7 Ų61.711%0.10737%0.366CS..EExtended strand (participates in β ladder)trans-123132.9166.1-84.3171.1-14.800108.1L379 D380 V405 R406 L408 W424Q364-L379 WeakPolarHBondContact CA-O 3.38Å; Q364-D380 WeakPolarHBondContact CG-OD1 3.46Å; Q364-D380 PolarHBondContact NE2-OD1 3.41Å; Q364-V405 CarbonylContact O-C 3.01Å; Q364-V405 WeakPolarHBondContact O-CA 3.43Å; Q364-V405 WeakPolarHBondContact O-CG1 3.38Å; Q364-R406 HydrophobicContact CB-CG 3.96Å; Q364-R406 PolarHBondContact N-O 3.17Å; Q364-R406 PolarHBondContact O-N 2.88Å; Q364-R406 VanDerWaalsContact OE1-CZ 3.24Å; Q364-L408 HydrophobicContact CB-CD1 3.89Å; Q364-L408 HydrophobicContact CG-CD1 3.72Å; Q364-W424 HydrophobicContact CB-CH2 4.36Å; Q364-W424 WeakPolarHBondContact O-CZ3 3.48Å
365V93.9Very high79.4Confident0 Ų064.5 Ų64.50%039%0.386CS..EExtended strand (participates in β ladder)trans-107.5133175.2178.60000107.5W351 Q378 L379 I381 V388 V403 E404 V405W351-V365 HydrophobicContact CE3-CG2 4.49Å; W351-V365 HydrophobicContact CH2-CG2 3.7Å; W351-V365 HydrophobicContact CZ3-CG2 3.68Å; V365-Q378 CarbonylContact O-C 3.56Å; V365-Q378 WeakPolarHBondContact O-CA 3.35Å; V365-L379 HydrophobicContact CB-CB 4.42Å; V365-L379 PolarHBondContact N-O 3.27Å; V365-L379 PolarHBondContact O-N 2.99Å; V365-I381 HydrophobicContact CB-CD1 4.39Å; V365-I381 HydrophobicContact CG2-CD1 3.8Å; V365-I381 HydrophobicContact CG2-CG1 3.79Å; V365-V388 HydrophobicContact CB-CG1 4.37Å; V365-V388 HydrophobicContact CG1-CG1 4.19Å; V365-V388 HydrophobicContact CG2-CG1 3.95Å; V365-V403 HydrophobicContact CG1-CG2 3.4Å; V365-E404 WeakPolarHBondContact CA-O 3.4Å; V365-V405 HydrophobicContact CG2-CG1 3.98Å; V365-V405 HydrophobicContact CG2-CG2 4.14Å
366R93.1Very high80.2Confident67 Ų6763.5 Ų63.525%0.25337%0.374SS..EExtended strand (participates in β ladder)trans-120.7131171.7174.317369169.31.9108.4V377 V403 E404 W424R366-V377 WeakPolarHBondContact CA-O 3.4Å; R366-V403 WeakPolarHBondContact O-CA 3.41Å; R366-V403 WeakPolarHBondContact O-CG2 3.41Å; R366-E404 IonicContact CZ-OE1 3.03Å; R366-E404 IonicContact CZ-OE2 2.71Å; R366-E404 PolarHBondContact N-O 3.36Å; R366-E404 IonicContact NE-OE2 2.66Å; R366-E404 PolarHBondContact NE-OE2 3.28Å; R366-E404 IonicContact NH2-OE1 3.28Å; R366-E404 PolarHBondContact NH2-OE1 3.48Å; R366-E404 IonicContact NH2-OE2 2.97Å; R366-E404 PolarHBondContact NH2-OE2 2.81Å; R366-E404 PolarHBondContact O-N 3.09Å; R366-W424 HydrophobicContact CB-CE3 4.32Å; R366-W424 HydrophobicContact CB-CH2 3.38Å; R366-W424 HydrophobicContact CB-CZ2 3.91Å; R366-W424 HydrophobicContact CB-CZ3 3.6Å; R366-W424 HydrophobicContact CG-CH2 4.5Å
367Y92.4Very high81.3Confident21 Ų2157.1 Ų57.18%0.08235%0.348CS..EExtended strand (participates in β ladder)trans-133.2149.8170.569.7-82.5000112.1S376 V377 L379 I390 L395 Y401 E402 W430Y367-S376 WeakPolarHBondContact O-CA 3.39Å; Y367-V377 HydrophobicContact CD1-CB 4.13Å; Y367-V377 HydrophobicContact CD1-CG1 4.43Å; Y367-V377 HydrophobicContact CE1-CB 3.68Å; Y367-V377 HydrophobicContact CE1-CG1 3.62Å; Y367-V377 HydrophobicContact CE2-CB 4.19Å; Y367-V377 HydrophobicContact CE2-CG2 4.32Å; Y367-V377 PolarHBondContact N-O 3.11Å; Y367-V377 PolarHBondContact O-N 3.02Å; Y367-L379 HydrophobicContact CE1-CD1 4.02Å; Y367-L379 HydrophobicContact CE1-CG 4.32Å; Y367-I390 HydrophobicContact CD1-CD1 3.75Å; Y367-I390 HydrophobicContact CD1-CG1 4.48Å; Y367-I390 HydrophobicContact CD2-CD1 4.42Å; Y367-I390 HydrophobicContact CE1-CD1 4.02Å; Y367-I390 HydrophobicContact CE1-CG1 4.3Å; Y367-I390 HydrophobicContact CE1-CG2 4.33Å; Y367-I390 HydrophobicContact CE2-CG2 4.1Å; Y367-I390 HydrophobicContact CG-CD1 3.97Å; Y367-L395 HydrophobicContact CD2-CD2 4.3Å; Y367-L395 HydrophobicContact CE2-CD2 3.73Å; Y367-Y401 HydrophobicContact CD2-CD1 4.25Å; Y367-E402 CarbonylContact C-O 3.58Å; Y367-E402 WeakPolarHBondContact CA-O 3.41Å; Y367-E402 WeakPolarHBondContact CB-O 3.4Å; Y367-W430 HydrophobicContact CD2-CH2 4.31Å; Y367-W430 HydrophobicContact CG-CH2 4.38Å
368H91Very high82.6Confident9 Ų959 Ų594%0.04235%0.348CS..EExtended strand (participates in β ladder)trans-150.2168.9175.860.883.3000111.1Y401 E402H368-Y401 WeakPolarHBondContact O-CA 3.36Å; H368-Y401 VanDerWaalsContact O-CD1 3.28Å; H368-Y401 WeakPolarHBondContact O-CD1 3.44Å; H368-E402 IonicContact CE1-OE2 3.55Å; H368-E402 PolarHBondContact CE1-OE2 3.38Å; H368-E402 PolarHBondContact N-O 2.84Å; H368-E402 IonicContact NE2-OE2 2.91Å; H368-E402 PolarHBondContact O-N 3.41Å
369Q89.8Confident83.9Confident46 Ų4656.8 Ų56.822%0.21532%0.322CS..EExtended strand (participates in β ladder)trans-70.6136.1173.4-176.6171.5-15.700109.4S371 D372 Q399 Y401Q369-S371 WeakPolarHBondContact CG-OG 3.42Å; Q369-S371 PolarHBondContact NE2-OG 2.94Å; Q369-S371 PolarHBondContact O-N 3Å; Q369-S371 VanDerWaalsContact O-N 3.11Å; Q369-D372 CarbonylContact O-C 3.52Å; Q369-D372 PolarHBondContact O-N 3.49Å; Q369-D372 VanDerWaalsContact O-N 3.08Å; Q369-D372 VanDerWaalsContact O-O 3.06Å; Q369-Q399 HydrophobicContact CG-CG 3.71Å; Q369-Y401 HydrophobicContact CB-CE1 4.24Å
370A84.4Confident84.8Confident57 Ų5760.9 Ų60.947%0.47134%0.343SS..THydrogen-bonded Turntrans-64.9-17.4-178.100000113.3D400A370-D400 HydrophobicContact CB-CB 3.96Å; A370-D400 PolarHBondContact N-O 3.31Å
371S79.4Confident85.2Confident87 Ų8754.7 Ų54.761%0.60832%0.317SS*.THydrogen-bonded Turntrans-102.1-2175.465.70000115Q369Q369-S371 WeakPolarHBondContact CG-OG 3.42Å; Q369-S371 PolarHBondContact NE2-OG 2.94Å; Q369-S371 PolarHBondContact O-N 3Å; Q369-S371 VanDerWaalsContact O-N 3.11Å
372D73.1Confident84.9Confident70 Ų7058.1 Ų58.137%0.37434%0.34SS..EExtended strand (participates in β ladder)trans-140.9101.7171.4178.121.7000110.7Q369 G374 S375Q369-D372 CarbonylContact O-C 3.52Å; Q369-D372 PolarHBondContact O-N 3.49Å; Q369-D372 VanDerWaalsContact O-N 3.08Å; Q369-D372 VanDerWaalsContact O-O 3.06Å; D372-G374 PolarHBondContact O-N 3.41Å; D372-G374 WeakPolarHBondContact OD1-CA 3.35Å; D372-G374 PolarHBondContact OD1-N 3.2Å; D372-S375 WeakPolarHBondContact OD2-CB 3.3Å; D372-S375 PolarHBondContact OD2-OG 3.17Å
373Q63.4Low84.2Confident157 Ų15761 Ų6173%0.73435%0.352SS*.EExtended strand (participates in β ladder)trans-80.8-4178.9-153.1168.251.100112.8
374G65.3Low83.1Confident67 Ų6763.2 Ų63.269%0.69138%0.379SS*.EExtended strand (participates in β ladder)trans-83.3-32.8179.100000114.3D372 S376D372-G374 PolarHBondContact O-N 3.41Å; D372-G374 WeakPolarHBondContact OD1-CA 3.35Å; D372-G374 PolarHBondContact OD1-N 3.2Å; G374-S376 PolarHBondContact O-N 2.97Å
375S74.6Confident82.7Confident67 Ų6764 Ų6447%0.46939%0.387SS..EExtended strand (participates in β ladder)trans-101.966.1-174.458.30000113.3D372D372-S375 WeakPolarHBondContact OD2-CB 3.3Å; D372-S375 PolarHBondContact OD2-OG 3.17Å
376S84.5Confident82.4Confident59 Ų5966.5 Ų66.541%0.41340%0.402SS..EExtended strand (participates in β ladder)trans-86.8138.4176.973.40000114.3Y367 G374Y367-S376 WeakPolarHBondContact O-CA 3.39Å; G374-S376 PolarHBondContact O-N 2.97Å
377V88Confident82.2Confident63 Ų6369.7 Ų69.738%0.38242%0.415SS..EExtended strand (participates in β ladder)trans-101.2126.5173.4-179.10000108.6R366 Y367 L379R366-V377 WeakPolarHBondContact CA-O 3.4Å; Y367-V377 HydrophobicContact CD1-CB 4.13Å; Y367-V377 HydrophobicContact CD1-CG1 4.43Å; Y367-V377 HydrophobicContact CE1-CB 3.68Å; Y367-V377 HydrophobicContact CE1-CG1 3.62Å; Y367-V377 HydrophobicContact CE2-CB 4.19Å; Y367-V377 HydrophobicContact CE2-CG2 4.32Å; Y367-V377 PolarHBondContact N-O 3.11Å; Y367-V377 PolarHBondContact O-N 3.02Å; V377-L379 HydrophobicContact CG1-CD2 4.4Å
378Q90.6Very high82.2Confident91 Ų9169.8 Ų69.843%0.42542%0.418SS..EExtended strand (participates in β ladder)trans-107.8137.1175.2-162.5-172.1-82.500110.5V365V365-Q378 CarbonylContact O-C 3.56Å; V365-Q378 WeakPolarHBondContact O-CA 3.35Å
379L89.8Confident82.2Confident53 Ų5372.1 Ų72.128%0.27743%0.43SS..EExtended strand (participates in β ladder)trans-121.7127.2176.4-58.2175.7000109.8Q364 V365 Y367 V377 I381 V388Q364-L379 WeakPolarHBondContact CA-O 3.38Å; V365-L379 HydrophobicContact CB-CB 4.42Å; V365-L379 PolarHBondContact N-O 3.27Å; V365-L379 PolarHBondContact O-N 2.99Å; Y367-L379 HydrophobicContact CE1-CD1 4.02Å; Y367-L379 HydrophobicContact CE1-CG 4.32Å; V377-L379 HydrophobicContact CG1-CD2 4.4Å; L379-I381 HydrophobicContact CB-CD1 4.22Å; L379-V388 HydrophobicContact CD1-CG2 4.07Å
380D88.9Confident82.2Confident119 Ų11970.1 Ų70.164%0.63642%0.421SS*.EExtended strand (participates in β ladder)trans-84.8126.8169.2-67.1-54.6000109.7Q364Q364-D380 WeakPolarHBondContact CG-OD1 3.46Å; Q364-D380 PolarHBondContact NE2-OD1 3.41Å
381I89.1Confident82.4Confident11 Ų1171.7 Ų71.76%0.05642%0.421CS..EExtended strand (participates in β ladder)trans-99133.6-173.4-52.4-54.1000110.6W351 Y363 V365 L379 V388W351-I381 HydrophobicContact CH2-CD1 4.29Å; W351-I381 HydrophobicContact CH2-CG1 3.89Å; W351-I381 HydrophobicContact CH2-CG2 4.07Å; W351-I381 HydrophobicContact CZ2-CG1 4.18Å; W351-I381 HydrophobicContact CZ2-CG2 4Å; Y363-I381 WeakPolarHBondContact O-CB 3.23Å; Y363-I381 WeakPolarHBondContact O-CG1 3.46Å; Y363-I381 PolarHBondContact O-N 3.49Å; V365-I381 HydrophobicContact CB-CD1 4.39Å; V365-I381 HydrophobicContact CG2-CD1 3.8Å; V365-I381 HydrophobicContact CG2-CG1 3.79Å; L379-I381 HydrophobicContact CB-CD1 4.22Å; I381-V388 HydrophobicContact CD1-CB 3.79Å; I381-V388 HydrophobicContact CD1-CG1 4.34Å; I381-V388 HydrophobicContact CD1-CG2 3.75Å
382P78.9Confident82.5Confident89 Ų8968.1 Ų68.158%0.57840%0.398SS*.PPolyproline II helixtrans-62.7155.1178.925.4-35000113.2G384 S385P382-G384 PolarHBondContact O-N 3.38Å; P382-S385 PolarHBondContact O-N 3.4Å
383E73.4Confident83Confident110 Ų11070.9 Ų70.951%0.51442%0.418SS..THydrogen-bonded Turntrans-57.8122.1-174.3-168.4-173.1122.900112.5K360 L362K360-E383 WeakPolarHBondContact CD-OE1 3.05Å; K360-E383 WeakPolarHBondContact CE-OE1 3.42Å; K360-E383 IonicContact NZ-OE1 3.23Å; K360-E383 PolarHBondContact NZ-OE1 2.97Å; L362-E383 HydrophobicContact CD2-CB 3.68Å; L362-E383 HydrophobicContact CD2-CG 3.84Å
384G69.2Low83.9Confident62 Ų6267 Ų6764%0.63941%0.408SS*.THydrogen-bonded Turntrans91.1-9.3177.400000115.7P382P382-G384 PolarHBondContact O-N 3.38Å
385S83.1Confident84.9Confident38 Ų3864.4 Ų64.427%0.26638%0.378SS..  trans-77.6131173.3-760000111.8Y363 P382Y363-S385 VanDerWaalsContact CD2-O 3.29Å; Y363-S385 WeakPolarHBondContact CD2-O 3.38Å; P382-S385 PolarHBondContact O-N 3.4Å
386T88.3Confident85.4Confident53 Ų5365 Ų6533%0.32538%0.378SS..  trans-112.420.817762.10000112.7W351 Y363W351-T386 VanDerWaalsContact CE2-C 3.47Å; W351-T386 PolarHBondContact N-O 2.98Å; W351-T386 WeakPolarHBondContact O-CB 3.39Å; Y363-T386 HydrophobicContact CE2-CG2 4.45Å
387W89.8Confident85.3Confident134 Ų13465.3 Ų65.351%0.50838%0.379SS..EExtended strand (participates in β ladder)trans-152.2160.9177.965.2-87.4000110.7V348 V349 E350 W351 N389V348-W387 HydrophobicContact CG1-CB 4.46Å; V348-W387 HydrophobicContact CG1-CE3 4.1Å; V349-W387 CarbonylContact O-C 3.57Å; V349-W387 WeakPolarHBondContact O-CA 3.31Å; V349-W387 WeakPolarHBondContact O-CB 3.49Å; E350-W387 HydrophobicContact CG-CB 4.08Å; W351-W387 VanDerWaalsContact CH2-C 3.44Å; W351-W387 VanDerWaalsContact CZ3-CA 3.45Å; W387-N389 HydrophobicContact CZ3-CB 4.22Å
388V92.4Very high85.1Confident24 Ų2467.6 Ų67.615%0.14539%0.389CS..EExtended strand (participates in β ladder)trans-143.5148.8169.572.70000110.5V348 V349 W351 V365 L379 I381V348-V388 WeakPolarHBondContact CA-O 3.46Å; V349-V388 HydrophobicContact CB-CG1 4.1Å; V349-V388 PolarHBondContact N-O 3.02Å; V349-V388 PolarHBondContact O-N 2.95Å; W351-V388 HydrophobicContact CH2-CB 4.37Å; W351-V388 HydrophobicContact CZ3-CB 4.41Å; W351-V388 HydrophobicContact CZ3-CG1 4.2Å; V365-V388 HydrophobicContact CB-CG1 4.37Å; V365-V388 HydrophobicContact CG1-CG1 4.19Å; V365-V388 HydrophobicContact CG2-CG1 3.95Å; L379-V388 HydrophobicContact CD1-CG2 4.07Å; I381-V388 HydrophobicContact CD1-CB 3.79Å; I381-V388 HydrophobicContact CD1-CG1 4.34Å; I381-V388 HydrophobicContact CD1-CG2 3.75Å
389N90.6Very high85Confident58 Ų5865.4 Ų65.431%0.3138%0.378SS..EExtended strand (participates in β ladder)trans-99.5122171.9-168.949.7000110.1D346 W387D346-N389 VanDerWaalsContact CB-OD1 3.26Å; D346-N389 WeakPolarHBondContact CB-OD1 3.31Å; D346-N389 PolarHBondContact OD2-ND2 3.12Å; W387-N389 HydrophobicContact CZ3-CB 4.22Å
390I89.8Confident85Confident3 Ų366.8 Ų66.82%0.01539%0.386CS..EExtended strand (participates in β ladder)trans-96.1114.3172-59.4176.2000107.4W347 V349 Y367 G392 L395 W430W347-I390 HydrophobicContact CB-CB 4.36Å; W347-I390 PolarHBondContact N-O 3.27Å; W347-I390 PolarHBondContact O-N 3.01Å; V349-I390 HydrophobicContact CG2-CD1 3.67Å; V349-I390 HydrophobicContact CG2-CG1 4.26Å; Y367-I390 HydrophobicContact CD1-CD1 3.75Å; Y367-I390 HydrophobicContact CD1-CG1 4.48Å; Y367-I390 HydrophobicContact CD2-CD1 4.42Å; Y367-I390 HydrophobicContact CE1-CD1 4.02Å; Y367-I390 HydrophobicContact CE1-CG1 4.3Å; Y367-I390 HydrophobicContact CE1-CG2 4.33Å; Y367-I390 HydrophobicContact CE2-CG2 4.1Å; Y367-I390 HydrophobicContact CG-CD1 3.97Å; I390-G392 PolarHBondContact O-N 3.49Å; I390-L395 HydrophobicContact CG2-CD1 4.27Å; I390-L395 HydrophobicContact CG2-CD2 3.98Å; I390-L395 HydrophobicContact CG2-CG 4.23Å; I390-W430 HydrophobicContact CD1-CH2 4.02Å; I390-W430 HydrophobicContact CD1-CZ2 4.15Å
391L88Confident85.1Confident90 Ų9061.9 Ų61.947%0.47136%0.359SS..  trans-59.1124.6179.9-73.4166.5000110.7D346 T393 S394D346-L391 WeakPolarHBondContact OD1-CA 3.41Å; L391-T393 PolarHBondContact O-N 3.1Å; L391-S394 WeakPolarHBondContact O-CB 3.32Å; L391-S394 PolarHBondContact O-N 3.43Å
392G82.6Confident85.3Confident13 Ų1363.4 Ų63.413%0.13437%0.366CS..G310 helixtrans-62-26.2178.900000112.8G345 D346 I390 S394 L395G345-G392 WeakPolarHBondContact O-CA 3.37Å; D346-G392 PolarHBondContact OD1-N 2.72Å; I390-G392 PolarHBondContact O-N 3.49Å; G392-S394 PolarHBondContact O-N 2.89Å; G392-L395 PolarHBondContact O-N 3.17Å
393T82.1Confident86Confident128 Ų12859.1 Ų59.179%0.78534%0.338SS*.G310 helixtrans-70.1-13.1174.155.60000114.3L391L391-T393 PolarHBondContact O-N 3.1Å
394S83.6Confident87Confident75 Ų7555 Ų5552%0.52432%0.319SS..G310 helixtrans-92.9-5.9174.2-580000113.5L391 G392L391-S394 WeakPolarHBondContact O-CB 3.32Å; L391-S394 PolarHBondContact O-N 3.43Å; G392-S394 PolarHBondContact O-N 2.89Å
395L85.4Confident88.1Confident13 Ų1352 Ų527%0.06829%0.288CS..SBendtrans-102.2149.5-179.2-57.4-179.3000111.5W347 Y367 I390 G392 P397 Y401 W430W347-L395 VanDerWaalsContact CD1-CD1 3.48Å; W347-L395 HydrophobicContact CG-CD1 4.32Å; Y367-L395 HydrophobicContact CD2-CD2 4.3Å; Y367-L395 HydrophobicContact CE2-CD2 3.73Å; I390-L395 HydrophobicContact CG2-CD1 4.27Å; I390-L395 HydrophobicContact CG2-CD2 3.98Å; I390-L395 HydrophobicContact CG2-CG 4.23Å; G392-L395 PolarHBondContact O-N 3.17Å; L395-P397 WeakPolarHBondContact O-CD 3.34Å; L395-Y401 HydrophobicContact CB-CE2 3.99Å; L395-Y401 HydrophobicContact CD2-CD1 4.16Å; L395-Y401 HydrophobicContact CD2-CD2 4.41Å; L395-Y401 HydrophobicContact CD2-CE1 3.83Å; L395-Y401 HydrophobicContact CD2-CE2 4.07Å; L395-Y401 HydrophobicContact CD2-CG 4.46Å; L395-Y401 HydrophobicContact CG-CE2 4.45Å; L395-W430 HydrophobicContact CD1-CZ2 4.06Å
396V84.6Confident88.6Confident78 Ų7852.5 Ų52.547%0.47328%0.284SS..PPolyproline II helixtrans-73126168.1179.80000107.9Q399 Y401 S432V396-Q399 HydrophobicContact CB-CB 4.21Å; V396-Q399 HydrophobicContact CG1-CB 4.26Å; V396-Q399 WeakPolarHBondContact O-CB 3.48Å; V396-Y401 PolarHBondContact N-OH 3.02Å; V396-S432 WeakPolarHBondContact O-CB 3.02Å; V396-S432 PolarHBondContact O-OG 3.23Å
397P83.8Confident88.7Confident67 Ų6750 Ų5044%0.43527%0.269SS..THydrogen-bonded Turntrans-68.2150-178.6-22.934.8000113.9L395 Q399 S432 N433 A435L395-P397 WeakPolarHBondContact O-CD 3.34Å; P397-Q399 VanDerWaalsContact C-N 3.31Å; P397-Q399 PolarHBondContact O-N 3.48Å; P397-S432 WeakPolarHBondContact CA-OG 3.27Å; P397-N433 WeakPolarHBondContact CB-O 3.42Å; P397-A435 HydrophobicContact CB-CB 3.82Å; P397-A435 HydrophobicContact CG-CB 3.96Å
398L83.2Confident88.7Confident110 Ų11045.2 Ų45.258%0.57625%0.253SS*.THydrogen-bonded Turntrans57.835.8-177.3-64.6176.7000114.5S432 N433 K434L398-S432 PolarHBondContact N-O 3Å; L398-S432 PolarHBondContact N-OG 3.06Å; L398-S432 VanDerWaalsContact N-OG 3.07Å; L398-N433 PolarHBondContact N-O 3.49Å; L398-K434 HydrophobicContact CD1-CD 4.47Å; L398-K434 HydrophobicContact CD1-CG 4.12Å; L398-K434 HydrophobicContact CD2-CB 3.62Å; L398-K434 HydrophobicContact CD2-CD 4.19Å; L398-K434 HydrophobicContact CD2-CG 3.82Å; L398-K434 HydrophobicContact CG-CB 4.24Å; L398-K434 HydrophobicContact CG-CG 4.12Å
399Q87.7Confident88.4Confident45 Ų4544.5 Ų44.521%0.2125%0.249CC..  trans-127.4138.9-174.8-177.855.362.200110.9Q369 V396 P397 Y401 S432Q369-Q399 HydrophobicContact CG-CG 3.71Å; V396-Q399 HydrophobicContact CB-CB 4.21Å; V396-Q399 HydrophobicContact CG1-CB 4.26Å; V396-Q399 WeakPolarHBondContact O-CB 3.48Å; P397-Q399 VanDerWaalsContact C-N 3.31Å; P397-Q399 PolarHBondContact O-N 3.48Å; Q399-Y401 HydrophobicContact CB-CE2 4.02Å; Q399-Y401 HydrophobicContact CG-CE2 4.04Å; Q399-Y401 WeakPolarHBondContact O-CD2 3.41Å; Q399-S432 PolarHBondContact N-OG 3.43Å; Q399-S432 PolarHBondContact O-N 2.83Å; Q399-S432 PolarHBondContact O-OG 3.06Å
400D90.6Very high87.8Confident82 Ų8242.7 Ų42.744%0.43924%0.242SC..EExtended strand (participates in β ladder)trans-78.2134.7175.6-59.2-49.8000111.5A370 T431A370-D400 HydrophobicContact CB-CB 3.96Å; A370-D400 PolarHBondContact N-O 3.31Å; D400-T431 WeakPolarHBondContact OD1-CB 3.28Å; D400-T431 WeakPolarHBondContact OD1-CG2 3.5Å; D400-T431 PolarHBondContact OD1-OG1 3.48Å
401Y91.3Very high86.7Confident17 Ų1748.3 Ų48.37%0.06727%0.271CS..EExtended strand (participates in β ladder)trans-127152.4179.6-77.8-90.2000111.1Y367 H368 Q369 L395 V396 Q399 N429 W430Y367-Y401 HydrophobicContact CD2-CD1 4.25Å; H368-Y401 WeakPolarHBondContact O-CA 3.36Å; H368-Y401 VanDerWaalsContact O-CD1 3.28Å; H368-Y401 WeakPolarHBondContact O-CD1 3.44Å; Q369-Y401 HydrophobicContact CB-CE1 4.24Å; L395-Y401 HydrophobicContact CB-CE2 3.99Å; L395-Y401 HydrophobicContact CD2-CD1 4.16Å; L395-Y401 HydrophobicContact CD2-CD2 4.41Å; L395-Y401 HydrophobicContact CD2-CE1 3.83Å; L395-Y401 HydrophobicContact CD2-CE2 4.07Å; L395-Y401 HydrophobicContact CD2-CG 4.46Å; L395-Y401 HydrophobicContact CG-CE2 4.45Å; V396-Y401 PolarHBondContact N-OH 3.02Å; Q399-Y401 HydrophobicContact CB-CE2 4.02Å; Q399-Y401 HydrophobicContact CG-CE2 4.04Å; Q399-Y401 WeakPolarHBondContact O-CD2 3.41Å; Y401-N429 WeakPolarHBondContact O-CA 3.33Å; Y401-W430 HydrophobicContact CG-CH2 4.31Å; Y401-W430 HydrophobicContact CG-CZ2 4.17Å; Y401-W430 PolarHBondContact N-O 2.98Å; Y401-W430 PolarHBondContact O-N 3.38Å
402E92.7Very high85.3Confident42 Ų4246.1 Ų46.120%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-122.9133.7180-179.5167.4-170.700108.3Y367 H368 P427Y367-E402 CarbonylContact C-O 3.58Å; Y367-E402 WeakPolarHBondContact CA-O 3.41Å; Y367-E402 WeakPolarHBondContact CB-O 3.4Å; H368-E402 IonicContact CE1-OE2 3.55Å; H368-E402 PolarHBondContact CE1-OE2 3.38Å; H368-E402 PolarHBondContact N-O 2.84Å; H368-E402 IonicContact NE2-OE2 2.91Å; H368-E402 PolarHBondContact O-N 3.41Å; E402-P427 HydrophobicContact CG-CB 3.67Å; E402-P427 WeakPolarHBondContact OE1-CB 3.41Å; E402-P427 WeakPolarHBondContact OE1-CG 3.2Å
403V93.1Very high83.6Confident0 Ų051.1 Ų51.10%031%0.31CS..EExtended strand (participates in β ladder)trans-131.8134.4176.461.60000112.1V340 V349 V365 R366 A428 W430V340-V403 HydrophobicContact CG2-CG1 3.52Å; V349-V403 HydrophobicContact CG1-CG1 4.08Å; V349-V403 HydrophobicContact CG1-CG2 4.13Å; V349-V403 HydrophobicContact CG2-CG1 4.18Å; V349-V403 HydrophobicContact CG2-CG2 4.34Å; V365-V403 HydrophobicContact CG1-CG2 3.4Å; R366-V403 WeakPolarHBondContact O-CA 3.41Å; R366-V403 WeakPolarHBondContact O-CG2 3.41Å; V403-A428 HydrophobicContact CG1-CB 4.07Å; V403-A428 WeakPolarHBondContact CG1-O 3.46Å; V403-A428 PolarHBondContact N-O 3.17Å; V403-A428 PolarHBondContact O-N 3.32Å; V403-W430 HydrophobicContact CB-CH2 4.07Å; V403-W430 HydrophobicContact CB-CZ3 3.56Å; V403-W430 HydrophobicContact CG1-CE3 4.05Å; V403-W430 HydrophobicContact CG1-CH2 4.28Å; V403-W430 HydrophobicContact CG1-CZ3 3.52Å
404E94.4Very high82.5Confident22 Ų2248.9 Ų48.910%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-120.6154.3173.4-55.5151.5102.500110.2V365 R366 W424 P427V365-E404 WeakPolarHBondContact CA-O 3.4Å; R366-E404 IonicContact CZ-OE1 3.03Å; R366-E404 IonicContact CZ-OE2 2.71Å; R366-E404 PolarHBondContact N-O 3.36Å; R366-E404 IonicContact NE-OE2 2.66Å; R366-E404 PolarHBondContact NE-OE2 3.28Å; R366-E404 IonicContact NH2-OE1 3.28Å; R366-E404 PolarHBondContact NH2-OE1 3.48Å; R366-E404 IonicContact NH2-OE2 2.97Å; R366-E404 PolarHBondContact NH2-OE2 2.81Å; R366-E404 PolarHBondContact O-N 3.09Å; E404-W424 HydrophobicContact CB-CB 4.01Å; E404-W424 HydrophobicContact CB-CD2 4.1Å; E404-W424 HydrophobicContact CB-CE3 3.62Å; E404-W424 HydrophobicContact CB-CG 4.3Å; E404-W424 HydrophobicContact CB-CZ3 4.43Å; E404-W424 HydrophobicContact CG-CB 4.29Å; E404-W424 WeakPolarHBondContact OE1-CB 3.4Å; E404-P427 HydrophobicContact CG-CB 4.3Å
405V94.2Very high81.6Confident0 Ų047.1 Ų47.10%030%0.301CS..EExtended strand (participates in β ladder)trans-126.7137.4172.6-163.40000109.4P335 V338 W351 Y363 Q364 V365 S425P335-V405 HydrophobicContact CB-CB 4.31Å; P335-V405 HydrophobicContact CB-CG1 4.45Å; P335-V405 WeakPolarHBondContact CD-O 3.05Å; P335-V405 HydrophobicContact CG-CB 4.02Å; P335-V405 HydrophobicContact CG-CG1 3.87Å; V338-V405 HydrophobicContact CG1-CG2 3.88Å; V338-V405 HydrophobicContact CG2-CB 4.3Å; V338-V405 HydrophobicContact CG2-CG2 3.89Å; W351-V405 HydrophobicContact CD2-CB 4.45Å; W351-V405 HydrophobicContact CD2-CG1 3.82Å; W351-V405 HydrophobicContact CD2-CG2 4.1Å; W351-V405 HydrophobicContact CE3-CG1 4.17Å; W351-V405 HydrophobicContact CE3-CG2 3.83Å; W351-V405 HydrophobicContact CG-CG1 4.17Å; W351-V405 HydrophobicContact CG-CG2 4.41Å; W351-V405 HydrophobicContact CZ2-CG1 4.27Å; W351-V405 HydrophobicContact CZ3-CG2 4.43Å; Y363-V405 HydrophobicContact CD1-CG1 4.39Å; Q364-V405 CarbonylContact O-C 3.01Å; Q364-V405 WeakPolarHBondContact O-CA 3.43Å; Q364-V405 WeakPolarHBondContact O-CG1 3.38Å; V365-V405 HydrophobicContact CG2-CG1 3.98Å; V365-V405 HydrophobicContact CG2-CG2 4.14Å; V405-S425 PolarHBondContact N-OG 3Å; V405-S425 WeakPolarHBondContact O-CB 3.46Å; V405-S425 PolarHBondContact O-N 2.9Å; V405-S425 PolarHBondContact O-OG 3.47Å
406R93.3Very high81.2Confident49 Ų4954.6 Ų54.619%0.18533%0.333CS..EExtended strand (participates in β ladder)trans-123.3155169.172.4179.6178.7-153-9.6111Y363 Q364 L408 S422 W424Y363-R406 WeakPolarHBondContact CA-O 3.16Å; Q364-R406 HydrophobicContact CB-CG 3.96Å; Q364-R406 PolarHBondContact N-O 3.17Å; Q364-R406 PolarHBondContact O-N 2.88Å; Q364-R406 VanDerWaalsContact OE1-CZ 3.24Å; R406-L408 HydrophobicContact CG-CD1 4.3Å; R406-S422 WeakPolarHBondContact CA-OG 3.41Å; R406-S422 WeakPolarHBondContact CB-OG 3.31Å; R406-W424 HydrophobicContact CB-CD2 4.03Å; R406-W424 HydrophobicContact CB-CE3 3.69Å; R406-W424 HydrophobicContact CB-CZ3 4.02Å; R406-W424 HydrophobicContact CG-CD2 4.19Å; R406-W424 HydrophobicContact CG-CE3 3.83Å; R406-W424 HydrophobicContact CG-CH2 3.86Å; R406-W424 HydrophobicContact CG-CZ2 4.25Å; R406-W424 HydrophobicContact CG-CZ3 3.66Å; R406-W424 VanDerWaalsContact NH1-CZ2 3.31Å
407S90.5Very high81Confident0 Ų056.1 Ų56.10%033%0.331CS..EExtended strand (participates in β ladder)trans-106.3150.3178.973.70000111.6P332 N333 L362 S422P332-S407 WeakPolarHBondContact CB-OG 3.42Å; N333-S407 PolarHBondContact O-OG 3.13Å; L362-S407 CarbonylContact O-C 3.44Å; L362-S407 WeakPolarHBondContact O-CA 3.39Å; S407-S422 PolarHBondContact N-OG 3.01Å; S407-S422 PolarHBondContact O-N 2.82Å
408L89.1Confident81Confident34 Ų3453.3 Ų53.318%0.17831%0.314CS..EExtended strand (participates in β ladder)trans-135150.1-177.4-60.691.7000109.6L361 L362 Q364 R406 P421L361-L408 CarbonylContact C-O 3.53Å; L361-L408 VanDerWaalsContact CA-O 3.27Å; L361-L408 WeakPolarHBondContact CA-O 3.46Å; L362-L408 HydrophobicContact CB-CB 4.39Å; L362-L408 PolarHBondContact N-O 3.35Å; L362-L408 PolarHBondContact O-N 2.81Å; Q364-L408 HydrophobicContact CB-CD1 3.89Å; Q364-L408 HydrophobicContact CG-CD1 3.72Å; R406-L408 HydrophobicContact CG-CD1 4.3Å; L408-P421 HydrophobicContact CD2-CB 4.45Å; L408-P421 HydrophobicContact CD2-CG 3.99Å; L408-P421 HydrophobicContact CG-CB 4.18Å; L408-P421 HydrophobicContact CG-CG 4.25Å
409V86.7Confident81.1Confident9 Ų949.8 Ų49.86%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-72.6137.7171.9-178.10000109.5I330 P332 L411I330-V409 HydrophobicContact CB-CG2 3.97Å; I330-V409 HydrophobicContact CG2-CG2 3.73Å; P332-V409 HydrophobicContact CG-CG2 3.74Å; V409-L411 PolarHBondContact O-N 3.4Å
410A77.1Confident81.3Confident20 Ų2052.5 Ų52.517%0.16532%0.319CS..  trans-67.396.4177.800000112.7K360 L362 G412 S415K360-A410 HydrophobicContact CB-CB 4.22Å; K360-A410 PolarHBondContact O-N 2.83Å; L362-A410 HydrophobicContact CD1-CB 4.48Å; L362-A410 HydrophobicContact CG-CB 4.15Å; A410-G412 PolarHBondContact O-N 3.28Å; A410-S415 WeakPolarHBondContact O-CB 3.44Å
411L67.3Low81.3Confident120 Ų12050.7 Ų50.763%0.62831%0.312SS*.  trans-79.952.1178.1-61.8179.3000112.8V409V409-L411 PolarHBondContact O-N 3.4Å
412G59Low81.3Confident44 Ų4450.1 Ų50.145%0.45431%0.31SS..  trans-65.6157.4175.800000113.1A410 G414 S415A410-G412 PolarHBondContact O-N 3.28Å; G412-G414 PolarHBondContact O-N 3.18Å; G412-G414 VanDerWaalsContact O-N 3.13Å; G412-S415 WeakPolarHBondContact O-CB 3.05Å; G412-S415 PolarHBondContact O-N 3Å; G412-S415 PolarHBondContact O-OG 3.02Å
413A46.6Very low81.4Confident118 Ų11853.5 Ų53.598%0.97533%0.326SS*.THydrogen-bonded Turntrans-58.9119.4174.200000110.6
414G58.2Low81.4Confident82 Ų8255.6 Ų55.685%0.84533%0.334SS*.THydrogen-bonded Turntrans82.28-173.200000115.3G412 K416G412-G414 PolarHBondContact O-N 3.18Å; G412-G414 VanDerWaalsContact O-N 3.13Å; G414-K416 PolarHBondContact O-N 2.04Å
415S65.3Low81.4Confident38 Ų3855 Ų5527%0.26633%0.332SS..  trans-61.2123.2175.766.20000111K328 A410 G412 Y417K328-S415 PolarHBondContact NZ-O 3.09Å; A410-S415 WeakPolarHBondContact O-CB 3.44Å; G412-S415 WeakPolarHBondContact O-CB 3.05Å; G412-S415 PolarHBondContact O-N 3Å; G412-S415 PolarHBondContact O-OG 3.02Å; S415-Y417 PolarHBondContact O-N 2.84Å
416K75.9Confident81.3Confident170 Ų17062.9 Ų62.974%0.73937%0.369SS*.SBendtrans-63.4-31.6174.1-67.9-173.4179.1-178.90111.5H327 K328 G414H327-K416 PolarHBondContact CD2-O 3.22Å; K328-K416 WeakPolarHBondContact CE-O 3.39Å; K328-K416 PolarHBondContact NZ-O 3.22Å; G414-K416 PolarHBondContact O-N 2.04Å
417Y81.3Confident81.2Confident110 Ų11063.2 Ų63.243%0.43138%0.378SS..  trans-78.6169.1-177.4-58.9-70.4000114.1H327 K328 I330 T359 S415H327-Y417 HydrophobicContact CB-CD1 3.85Å; H327-Y417 HydrophobicContact CB-CE1 4.05Å; H327-Y417 CarbonylContact O-C 3.59Å; H327-Y417 WeakPolarHBondContact O-CA 3.04Å; K328-Y417 PolarHBondContact NZ-O 3.27Å; K328-Y417 VanDerWaalsContact NZ-O 3.13Å; I330-Y417 HydrophobicContact CD1-CD1 3.68Å; I330-Y417 HydrophobicContact CD1-CE1 4.45Å; I330-Y417 HydrophobicContact CD1-CG 4.32Å; T359-Y417 HydrophobicContact CG2-CD1 4.15Å; T359-Y417 HydrophobicContact CG2-CD2 3.93Å; T359-Y417 HydrophobicContact CG2-CE1 3.93Å; T359-Y417 HydrophobicContact CG2-CE2 3.7Å; T359-Y417 HydrophobicContact CG2-CG 4.16Å; S415-Y417 PolarHBondContact O-N 2.84Å
418G83.4Confident81.3Confident8 Ų863.9 Ų63.98%0.08238%0.383CS..  trans-174.4158.4178.500000110.1H327 K328 H329 I330H327-G418 PolarHBondContact O-N 3.2Å; K328-G418 VanDerWaalsContact C-C 3.47Å; K328-G418 CarbonylContact C-O 3.38Å; K328-G418 WeakPolarHBondContact CA-O 3.4Å; K328-G418 CarbonylContact O-C 3.47Å; K328-G418 VanDerWaalsContact O-C 3.28Å; H329-G418 PolarHBondContact N-O 2.96Å; I330-G418 PolarHBondContact N-O 3.46Å; I330-G418 VanDerWaalsContact N-O 3.16Å
419G86.4Confident81.4Confident35 Ų3567.8 Ų67.836%0.36140%0.404SS..BIsolated β-bridgetrans170.7-171.6-172.500000114K328 I330K328-G419 PolarHBondContact O-N 3.34Å; I330-G419 CarbonylContact O-C 3.52Å; I330-G419 WeakPolarHBondContact O-CA 3.41Å
420I90.1Very high81.6Confident102 Ų10268.2 Ų68.252%0.52341%0.405SS..  trans-110.6159.1172.459.1172000110I330 R331 P332I330-I420 PolarHBondContact O-N 2.91Å; R331-I420 HydrophobicContact CB-CD1 4.42Å; R331-I420 HydrophobicContact CB-CG1 4.03Å; R331-I420 HydrophobicContact CG-CD1 4.24Å; R331-I420 HydrophobicContact CG-CG1 4Å; P332-I420 WeakPolarHBondContact CD-O 3.46Å
421P91.1Very high82.1Confident45 Ų4570.8 Ų70.829%0.29242%0.418SS..PPolyproline II helixtrans-58.2156.5172.8-23.434.4000112.9R331 L408R331-P421 PolarHBondContact NE-O 2.95Å; R331-P421 VanDerWaalsContact NE-O 3.15Å; L408-P421 HydrophobicContact CD2-CB 4.45Å; L408-P421 HydrophobicContact CD2-CG 3.99Å; L408-P421 HydrophobicContact CG-CB 4.18Å; L408-P421 HydrophobicContact CG-CG 4.25Å
422S92.4Very high82.9Confident5 Ų565.3 Ų65.34%0.03539%0.39CS..PPolyproline II helixtrans-60.6170.1164.171.70000111.1P332 R406 S407P332-S422 WeakPolarHBondContact O-CA 3.44Å; P332-S422 WeakPolarHBondContact O-CB 3.39Å; R406-S422 WeakPolarHBondContact CA-OG 3.41Å; R406-S422 WeakPolarHBondContact CB-OG 3.31Å; S407-S422 PolarHBondContact N-OG 3.01Å; S407-S422 PolarHBondContact O-N 2.82Å
423E94.3Very high83.7Confident113 Ų11365.4 Ų65.453%0.52838%0.38SS..PPolyproline II helixtrans-60.2163.4154.8-56.4-60.3176.700110R331 S334R331-E423 IonicContact CZ-OE1 2.76Å; R331-E423 IonicContact CZ-OE2 2.73Å; R331-E423 IonicContact NH1-OE1 3.75Å; R331-E423 PolarHBondContact NH1-OE1 2.92Å; R331-E423 IonicContact NH2-OE1 3.09Å; R331-E423 PolarHBondContact NH2-OE1 3.05Å; R331-E423 IonicContact NH2-OE2 2.91Å; R331-E423 PolarHBondContact NH2-OE2 3.26Å; S334-E423 WeakPolarHBondContact CB-O 3.43Å
424W93.5Very high84.3Confident44 Ų4467.6 Ų67.617%0.16737%0.368CS..PPolyproline II helixtrans-63.8155.4166-67.4107000110.7Q364 R366 E404 R406Q364-W424 HydrophobicContact CB-CH2 4.36Å; Q364-W424 WeakPolarHBondContact O-CZ3 3.48Å; R366-W424 HydrophobicContact CB-CE3 4.32Å; R366-W424 HydrophobicContact CB-CH2 3.38Å; R366-W424 HydrophobicContact CB-CZ2 3.91Å; R366-W424 HydrophobicContact CB-CZ3 3.6Å; R366-W424 HydrophobicContact CG-CH2 4.5Å; E404-W424 HydrophobicContact CB-CB 4.01Å; E404-W424 HydrophobicContact CB-CD2 4.1Å; E404-W424 HydrophobicContact CB-CE3 3.62Å; E404-W424 HydrophobicContact CB-CG 4.3Å; E404-W424 HydrophobicContact CB-CZ3 4.43Å; E404-W424 HydrophobicContact CG-CB 4.29Å; E404-W424 WeakPolarHBondContact OE1-CB 3.4Å; R406-W424 HydrophobicContact CB-CD2 4.03Å; R406-W424 HydrophobicContact CB-CE3 3.69Å; R406-W424 HydrophobicContact CB-CZ3 4.02Å; R406-W424 HydrophobicContact CG-CD2 4.19Å; R406-W424 HydrophobicContact CG-CE3 3.83Å; R406-W424 HydrophobicContact CG-CH2 3.86Å; R406-W424 HydrophobicContact CG-CZ2 4.25Å; R406-W424 HydrophobicContact CG-CZ3 3.66Å; R406-W424 VanDerWaalsContact NH1-CZ2 3.31Å
425S94.1Very high84.1Confident9 Ų966.4 Ų66.46%0.06335%0.35CS..PPolyproline II helixtrans-66167.9169.864.80000111V338 V405V338-S425 WeakPolarHBondContact CG2-OG 3.39Å; V405-S425 PolarHBondContact N-OG 3Å; V405-S425 WeakPolarHBondContact O-CB 3.46Å; V405-S425 PolarHBondContact O-N 2.9Å; V405-S425 PolarHBondContact O-OG 3.47Å
426E91.2Very high83.7Confident165 Ų16569 Ų6977%0.77137%0.373SS*.PPolyproline II helixtrans-52.2139156-62.2-60.8149.800109.5
427P91.3Very high82.8Confident57 Ų5769.5 Ų69.537%0.3737%0.371SS..PPolyproline II helixtrans-72.2139.4-178.226.1-32.6000111.9E402 E404E402-P427 HydrophobicContact CG-CB 3.67Å; E402-P427 WeakPolarHBondContact OE1-CB 3.41Å; E402-P427 WeakPolarHBondContact OE1-CG 3.2Å; E404-P427 HydrophobicContact CG-CB 4.3Å
428A92Very high81.8Confident14 Ų1467.1 Ų67.112%0.11637%0.37CS..EExtended strand (participates in β ladder)trans-104.9128.7169.500000109.9V338 V340 V403V338-A428 HydrophobicContact CB-CB 4.3Å; V338-A428 HydrophobicContact CG1-CB 3.83Å; V340-A428 HydrophobicContact CG2-CB 3.93Å; V403-A428 HydrophobicContact CG1-CB 4.07Å; V403-A428 WeakPolarHBondContact CG1-O 3.46Å; V403-A428 PolarHBondContact N-O 3.17Å; V403-A428 PolarHBondContact O-N 3.32Å
429N91.8Very high80.8Confident115 Ų11571.8 Ų71.862%0.61540%0.397SS*.EExtended strand (participates in β ladder)trans-107.4141.5-174.6-63.7-17.8000111.3Y401Y401-N429 WeakPolarHBondContact O-CA 3.33Å
430W90.8Very high79.8Confident19 Ų1973.4 Ų73.47%0.07240%0.402CS..EExtended strand (participates in β ladder)trans-149155.4172.480.8107.4000111.9V340 W347 Y367 I390 L395 Y401 V403V340-W430 HydrophobicContact CB-CB 4.29Å; V340-W430 HydrophobicContact CB-CG 4.43Å; V340-W430 HydrophobicContact CG1-CB 4.16Å; V340-W430 HydrophobicContact CG1-CD2 3.86Å; V340-W430 HydrophobicContact CG1-CE3 4.27Å; V340-W430 HydrophobicContact CG1-CG 3.83Å; V340-W430 HydrophobicContact CG2-CD2 4.47Å; V340-W430 HydrophobicContact CG2-CE3 4.09Å; W347-W430 AromaticContact CD1-NE1 3.71Å; W347-W430 AromaticContact CD2-CD1 3.3Å; W347-W430 HydrophobicContact CD2-CG 4.39Å; W347-W430 AromaticContact CD2-NE1 3.33Å; W347-W430 VanDerWaalsContact CD2-NE1 3.33Å; W347-W430 AromaticContact CE2-CD1 3.54Å; W347-W430 AromaticContact CE2-NE1 3.63Å; W347-W430 AromaticContact CE3-CD1 3.37Å; W347-W430 HydrophobicContact CE3-CG 4.15Å; W347-W430 AromaticContact CE3-NE1 3.84Å; W347-W430 AromaticContact CG-CD1 3.89Å; W347-W430 AromaticContact CG-NE1 3.38Å; W347-W430 AromaticContact CH2-CD1 3.82Å; W347-W430 AromaticContact CZ2-CD1 3.81Å; W347-W430 HydrophobicContact CZ3-CB 4.36Å; W347-W430 AromaticContact CZ3-CD1 3.61Å; W347-W430 HydrophobicContact CZ3-CG 4.31Å; W347-W430 AromaticContact NE1-NE1 3.85Å; Y367-W430 HydrophobicContact CD2-CH2 4.31Å; Y367-W430 HydrophobicContact CG-CH2 4.38Å; I390-W430 HydrophobicContact CD1-CH2 4.02Å; I390-W430 HydrophobicContact CD1-CZ2 4.15Å; L395-W430 HydrophobicContact CD1-CZ2 4.06Å; Y401-W430 HydrophobicContact CG-CH2 4.31Å; Y401-W430 HydrophobicContact CG-CZ2 4.17Å; Y401-W430 PolarHBondContact N-O 2.98Å; Y401-W430 PolarHBondContact O-N 3.38Å; V403-W430 HydrophobicContact CB-CH2 4.07Å; V403-W430 HydrophobicContact CB-CZ3 3.56Å; V403-W430 HydrophobicContact CG1-CE3 4.05Å; V403-W430 HydrophobicContact CG1-CH2 4.28Å; V403-W430 HydrophobicContact CG1-CZ3 3.52Å
431T87.7Confident79Confident74 Ų7475.4 Ų75.445%0.45441%0.407SS..EExtended strand (participates in β ladder)trans-100.5127.2173.3-45.30000109.1W347 D400W347-T431 VanDerWaalsContact CH2-O 3.3Å; W347-T431 WeakPolarHBondContact CH2-O 2.98Å; W347-T431 VanDerWaalsContact CZ2-O 3.23Å; W347-T431 WeakPolarHBondContact CZ2-O 3.34Å; D400-T431 WeakPolarHBondContact OD1-CB 3.28Å; D400-T431 WeakPolarHBondContact OD1-CG2 3.5Å; D400-T431 PolarHBondContact OD1-OG1 3.48Å
432S84.3Confident78.2Confident4 Ų476.2 Ų76.23%0.02841%0.409CS..PPolyproline II helixtrans-63.2150.4176.568.50000111.8V396 P397 L398 Q399V396-S432 WeakPolarHBondContact O-CB 3.02Å; V396-S432 PolarHBondContact O-OG 3.23Å; P397-S432 WeakPolarHBondContact CA-OG 3.27Å; L398-S432 PolarHBondContact N-O 3Å; L398-S432 PolarHBondContact N-OG 3.06Å; L398-S432 VanDerWaalsContact N-OG 3.07Å; Q399-S432 PolarHBondContact N-OG 3.43Å; Q399-S432 PolarHBondContact O-N 2.83Å; Q399-S432 PolarHBondContact O-OG 3.06Å
433N75.2Confident77.7Confident46 Ų4680.3 Ų80.325%0.24643%0.43CS..PPolyproline II helixtrans-65.7154.6-172.356.928.2000113E342 G345 W347 P397 L398 A435E342-N433 WeakPolarHBondContact OE1-CB 3.46Å; E342-N433 PolarHBondContact OE1-ND2 3.13Å; G345-N433 PolarHBondContact O-ND2 2.91Å; W347-N433 HydrophobicContact CZ2-CB 4.34Å; P397-N433 WeakPolarHBondContact CB-O 3.42Å; L398-N433 PolarHBondContact N-O 3.49Å; N433-A435 PolarHBondContact O-N 2.84Å
434K60.8Low77.1Confident164 Ų16483.6 Ų83.671%0.71344%0.438SS*.PPolyproline II helixtrans-69.6119.5174.9-172.7163.9-172.5170.40108.5L398 A436L398-K434 HydrophobicContact CD1-CD 4.47Å; L398-K434 HydrophobicContact CD1-CG 4.12Å; L398-K434 HydrophobicContact CD2-CB 3.62Å; L398-K434 HydrophobicContact CD2-CD 4.19Å; L398-K434 HydrophobicContact CD2-CG 3.82Å; L398-K434 HydrophobicContact CG-CB 4.24Å; L398-K434 HydrophobicContact CG-CG 4.12Å; K434-A436 PolarHBondContact O-N 3.49Å
435A54.1Low76.6Confident58 Ų5887.3 Ų87.348%0.47946%0.456SS..  trans-44.7101.5-178.300000111.8P397 N433 W437P397-A435 HydrophobicContact CB-CB 3.82Å; P397-A435 HydrophobicContact CG-CB 3.96Å; N433-A435 PolarHBondContact O-N 2.84Å; A435-W437 PolarHBondContact O-N 3.13Å
436A56.9Low76.3Confident91 Ų9192.6 Ų92.675%0.75248%0.478SS*.  trans-59.6131.8-178.600000108.4K434 S438K434-A436 PolarHBondContact O-N 3.49Å; A436-S438 PolarHBondContact O-N 2.53Å
437W56.4Low76.1Confident182 Ų18288 Ų8869%0.68946%0.464SS*.  trans-58114.6172.3-80.98.8000108A435 V439 L442A435-W437 PolarHBondContact O-N 3.13Å; W437-V439 PolarHBondContact O-N 3.1Å; W437-L442 HydrophobicContact CB-CG 4.29Å; W437-L442 HydrophobicContact CE3-CD2 3.94Å
438S59.6Low76Confident59 Ų5987.1 Ų87.141%0.41346%0.464SS..  trans-52.9141.5-175.862.50000109.8A436 S440 K441 L442A436-S438 PolarHBondContact O-N 2.53Å; S438-S440 CarbonylContact O-C 3.53Å; S438-S440 PolarHBondContact O-N 3.41Å; S438-K441 WeakPolarHBondContact O-CA 3.37Å; S438-K441 PolarHBondContact O-N 3.02Å; S438-K441 PolarHBondContact OG-N 3.47Å; S438-L442 PolarHBondContact O-N 3.31Å; S438-L442 VanDerWaalsContact O-N 3.12Å
439V63.7Low76Confident106 Ų10690.1 Ų90.164%0.64248%0.481SS*.Hα-helixtrans-54.1-32.5-178.4-174.50000110.3W437 L442 I443W437-V439 PolarHBondContact O-N 3.1Å; V439-L442 PolarHBondContact O-N 2.79Å; V439-I443 HydrophobicContact CG1-CD1 3.9Å; V439-I443 HydrophobicContact CG1-CG1 4.34Å; V439-I443 WeakPolarHBondContact O-CB 3.16Å; V439-I443 VanDerWaalsContact O-CG1 3.23Å; V439-I443 WeakPolarHBondContact O-CG1 3.33Å; V439-I443 PolarHBondContact O-N 2.78Å
440S64.6Low76Confident69 Ų6989.3 Ų89.348%0.48348%0.476SS..Hα-helixtrans-56.9-47.5169.3-39.40000114S438 I443 Y444S438-S440 CarbonylContact O-C 3.53Å; S438-S440 PolarHBondContact O-N 3.41Å; S440-I443 PolarHBondContact O-N 3.4Å; S440-Y444 WeakPolarHBondContact O-CD2 3.39Å; S440-Y444 PolarHBondContact O-N 3.37Å
441K72.5Confident75.9Confident144 Ų14490.3 Ų90.363%0.62649%0.488SS*.Hα-helixtrans-64.8-38.6176.4-80.8-172176.8-176.60112S438 Y444 F445S438-K441 WeakPolarHBondContact O-CA 3.37Å; S438-K441 PolarHBondContact O-N 3.02Å; S438-K441 PolarHBondContact OG-N 3.47Å; K441-Y444 PolarHBondContact O-N 2.03Å; K441-F445 WeakPolarHBondContact O-CB 3.07Å; K441-F445 PolarHBondContact O-N 2.9Å
442L75.6Confident76.1Confident62 Ų6291 Ų9133%0.32549%0.492SS..Hα-helixtrans-64.4-44.4173.4-74.4167000111.3W437 S438 V439 F445 F446W437-L442 HydrophobicContact CB-CG 4.29Å; W437-L442 HydrophobicContact CE3-CD2 3.94Å; S438-L442 PolarHBondContact O-N 3.31Å; S438-L442 VanDerWaalsContact O-N 3.12Å; V439-L442 PolarHBondContact O-N 2.79Å; L442-F445 PolarHBondContact O-N 2.9Å; L442-F446 HydrophobicContact CD2-CE2 4.35Å; L442-F446 WeakPolarHBondContact O-CD2 3.35Å; L442-F446 PolarHBondContact O-N 3.49Å
443I81.5Confident76.3Confident92 Ų9293.1 Ų93.147%0.47251%0.51SS..Hα-helixtrans-58.8-50.5174.2-72.5165.4000110.5V439 S440 F445 F446 C447V439-I443 HydrophobicContact CG1-CD1 3.9Å; V439-I443 HydrophobicContact CG1-CG1 4.34Å; V439-I443 WeakPolarHBondContact O-CB 3.16Å; V439-I443 VanDerWaalsContact O-CG1 3.23Å; V439-I443 WeakPolarHBondContact O-CG1 3.33Å; V439-I443 PolarHBondContact O-N 2.78Å; S440-I443 PolarHBondContact O-N 3.4Å; I443-F445 VanDerWaalsContact C-N 3.29Å; I443-F445 PolarHBondContact O-N 3.1Å; I443-F446 PolarHBondContact O-N 2.86Å; I443-C447 VanDerWaalsContact O-CB 3.28Å; I443-C447 WeakPolarHBondContact O-CB 3.21Å; I443-C447 PolarHBondContact O-N 2.89Å; I443-C447 PolarHBondContact O-SG 2.98Å
444Y82.1Confident77Confident181 Ų18195.7 Ų95.771%0.7152%0.523SS*.Hα-helixtrans-60.1-38.3178-72.6-57.2000112.6S440 K441 G448S440-Y444 WeakPolarHBondContact O-CD2 3.39Å; S440-Y444 PolarHBondContact O-N 3.37Å; K441-Y444 PolarHBondContact O-N 2.03Å; Y444-G448 PolarHBondContact O-N 2.67Å
445F83.5Confident78.3Confident122 Ų12295.2 Ų95.254%0.53552%0.521SS..Hα-helixtrans-63.2-51.6174.3-178.8-97.3000111.9K441 L442 I443 G448 V449K441-F445 WeakPolarHBondContact O-CB 3.07Å; K441-F445 PolarHBondContact O-N 2.9Å; L442-F445 PolarHBondContact O-N 2.9Å; I443-F445 VanDerWaalsContact C-N 3.29Å; I443-F445 PolarHBondContact O-N 3.1Å; F445-G448 PolarHBondContact O-N 2.91Å; F445-V449 HydrophobicContact CE1-CG2 4.23Å; F445-V449 HydrophobicContact CZ-CG2 4.37Å; F445-V449 WeakPolarHBondContact O-CG2 3.48Å; F445-V449 PolarHBondContact O-N 2.89Å
446F85.9Confident79.8Confident120 Ų12096.9 Ų96.953%0.52652%0.521SS..Hα-helixtrans-66.2-39.2179-73.7-61.6000112.8L442 I443 G448 V449 I450L442-F446 HydrophobicContact CD2-CE2 4.35Å; L442-F446 WeakPolarHBondContact O-CD2 3.35Å; L442-F446 PolarHBondContact O-N 3.49Å; I443-F446 PolarHBondContact O-N 2.86Å; F446-G448 VanDerWaalsContact C-N 3.31Å; F446-G448 PolarHBondContact O-N 3.27Å; F446-V449 PolarHBondContact O-N 2.87Å; F446-I450 WeakPolarHBondContact O-CB 3.11Å; F446-I450 WeakPolarHBondContact O-CD1 3.43Å; F446-I450 VanDerWaalsContact O-CG1 3.24Å; F446-I450 WeakPolarHBondContact O-CG1 3.42Å; F446-I450 PolarHBondContact O-N 3.16Å
447C86.9Confident81Confident70 Ų7096.2 Ų96.247%0.47351%0.508SS..Hα-helixtrans-61.2-39172.7-72.10000111.9I443 I450 A451I443-C447 VanDerWaalsContact O-CB 3.28Å; I443-C447 WeakPolarHBondContact O-CB 3.21Å; I443-C447 PolarHBondContact O-N 2.89Å; I443-C447 PolarHBondContact O-SG 2.98Å; C447-I450 PolarHBondContact O-N 3.2Å; C447-A451 WeakPolarHBondContact O-CB 3.44Å; C447-A451 PolarHBondContact O-N 3.43Å
448G90.1Very high82.3Confident37 Ų3792.1 Ų92.138%0.38150%0.499SS..Hα-helixtrans-62-47.4172.800000112.6Y444 F445 F446 I450 A451 V452Y444-G448 PolarHBondContact O-N 2.67Å; F445-G448 PolarHBondContact O-N 2.91Å; F446-G448 VanDerWaalsContact C-N 3.31Å; F446-G448 PolarHBondContact O-N 3.27Å; G448-I450 PolarHBondContact O-N 2.66Å; G448-A451 PolarHBondContact O-N 3.08Å; G448-V452 WeakPolarHBondContact O-CG2 3.44Å; G448-V452 PolarHBondContact O-N 3.39Å
449V91.6Very high83.5Confident77 Ų7797.5 Ų97.547%0.46751%0.512SS..Hα-helixtrans-61.3-43.9176.41730000111.6F445 F446 V452 A453F445-V449 HydrophobicContact CE1-CG2 4.23Å; F445-V449 HydrophobicContact CZ-CG2 4.37Å; F445-V449 WeakPolarHBondContact O-CG2 3.48Å; F445-V449 PolarHBondContact O-N 2.89Å; F446-V449 PolarHBondContact O-N 2.87Å; V449-V452 PolarHBondContact O-N 3.02Å; V449-A453 PolarHBondContact O-N 2.94Å
450I91.4Very high84.2Confident99 Ų9998.5 Ų98.551%0.50851%0.509SS..Hα-helixtrans-64.4-42.9177.4-69.2163.9000110.8F446 C447 G448 V452 A453 L454F446-I450 WeakPolarHBondContact O-CB 3.11Å; F446-I450 WeakPolarHBondContact O-CD1 3.43Å; F446-I450 VanDerWaalsContact O-CG1 3.24Å; F446-I450 WeakPolarHBondContact O-CG1 3.42Å; F446-I450 PolarHBondContact O-N 3.16Å; C447-I450 PolarHBondContact O-N 3.2Å; G448-I450 PolarHBondContact O-N 2.66Å; I450-V452 PolarHBondContact O-N 3.15Å; I450-A453 PolarHBondContact O-N 2.93Å; I450-L454 HydrophobicContact CG2-CD1 3.93Å; I450-L454 HydrophobicContact CG2-CG 4.36Å; I450-L454 WeakPolarHBondContact O-CB 3.39Å; I450-L454 WeakPolarHBondContact O-CG 3.45Å; I450-L454 PolarHBondContact O-N 3.4Å
451A90.4Very high84.7Confident40 Ų4098.6 Ų98.633%0.33151%0.507SS..Hα-helixtrans-60.6-45.1176.500000111.8C447 G448 A453 L454 F455C447-A451 WeakPolarHBondContact O-CB 3.44Å; C447-A451 PolarHBondContact O-N 3.43Å; G448-A451 PolarHBondContact O-N 3.08Å; A451-A453 PolarHBondContact O-N 2.79Å; A451-L454 PolarHBondContact O-N 2.97Å; A451-F455 WeakPolarHBondContact O-CD2 3.27Å; A451-F455 PolarHBondContact O-N 2.84Å
452V90.7Very high84.9Confident87 Ų8795.7 Ų95.753%0.52750%0.501SS..Hα-helixtrans-61.3-43.3175.5171.90000111.3G448 V449 I450 L454 F455 L456G448-V452 WeakPolarHBondContact O-CG2 3.44Å; G448-V452 PolarHBondContact O-N 3.39Å; V449-V452 PolarHBondContact O-N 3.02Å; I450-V452 PolarHBondContact O-N 3.15Å; V452-L454 VanDerWaalsContact C-N 3.35Å; V452-L454 PolarHBondContact O-N 3.32Å; V452-F455 PolarHBondContact O-N 2.77Å; V452-L456 HydrophobicContact CG1-CD1 3.94Å; V452-L456 HydrophobicContact CG1-CG 4.47Å; V452-L456 WeakPolarHBondContact O-CB 3.38Å; V452-L456 WeakPolarHBondContact O-CG 3.08Å; V452-L456 PolarHBondContact O-N 2.87Å
453A89.8Confident84.6Confident49 Ų4996.2 Ų96.241%0.40551%0.508SS..Hα-helixtrans-63.6-37.5176.100000112.9V449 I450 A451 T457V449-A453 PolarHBondContact O-N 2.94Å; I450-A453 PolarHBondContact O-N 2.93Å; A451-A453 PolarHBondContact O-N 2.79Å; A453-T457 WeakPolarHBondContact O-CB 3.22Å; A453-T457 WeakPolarHBondContact O-CG2 3.17Å; A453-T457 PolarHBondContact O-N 2.78Å; A453-T457 PolarHBondContact O-OG1 3.38Å
454L89.6Confident84.1Confident100 Ų10096 Ų9652%0.52451%0.511SS..Hα-helixtrans-66.8-43.4174.2-72.4170.8000111.9I450 A451 V452 T457 L458I450-L454 HydrophobicContact CG2-CD1 3.93Å; I450-L454 HydrophobicContact CG2-CG 4.36Å; I450-L454 WeakPolarHBondContact O-CB 3.39Å; I450-L454 WeakPolarHBondContact O-CG 3.45Å; I450-L454 PolarHBondContact O-N 3.4Å; A451-L454 PolarHBondContact O-N 2.97Å; V452-L454 VanDerWaalsContact C-N 3.35Å; V452-L454 PolarHBondContact O-N 3.32Å; L454-T457 WeakPolarHBondContact CA-OG1 3.35Å; L454-T457 PolarHBondContact O-N 2.69Å; L454-T457 PolarHBondContact O-OG1 2.69Å; L454-T457 VanDerWaalsContact O-OG1 3.1Å; L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 PolarHBondContact O-N 2.86Å
455F86.6Confident83.1Confident155 Ų15591 Ų9168%0.6850%0.502SS*.Hα-helixtrans-63.5-41.3175-81.1-65.3000112.4A451 V452 Y459A451-F455 WeakPolarHBondContact O-CD2 3.27Å; A451-F455 PolarHBondContact O-N 2.84Å; V452-F455 PolarHBondContact O-N 2.77Å; F455-Y459 VanDerWaalsContact O-CB 3.27Å; F455-Y459 WeakPolarHBondContact O-CB 3.47Å; F455-Y459 PolarHBondContact O-N 2.95Å
456L85.8Confident82.3Confident92 Ų9294.6 Ų94.648%0.48251%0.512SS..Hα-helixtrans-65.6-43.4176-71.4169.9000112.2V452 Y459 H460V452-L456 HydrophobicContact CG1-CD1 3.94Å; V452-L456 HydrophobicContact CG1-CG 4.47Å; V452-L456 WeakPolarHBondContact O-CB 3.38Å; V452-L456 WeakPolarHBondContact O-CG 3.08Å; V452-L456 PolarHBondContact O-N 2.87Å; L456-Y459 PolarHBondContact O-N 3.42Å; L456-H460 PolarHBondContact O-CD2 3.26Å; L456-H460 PolarHBondContact O-N 3.35Å
457T83.4Confident81.1Confident77 Ų7796.1 Ų96.147%0.47252%0.518SS..Hα-helixtrans-68.3-37.7177.747.60000112.3A453 L454 H460 T461A453-T457 WeakPolarHBondContact O-CB 3.22Å; A453-T457 WeakPolarHBondContact O-CG2 3.17Å; A453-T457 PolarHBondContact O-N 2.78Å; A453-T457 PolarHBondContact O-OG1 3.38Å; L454-T457 WeakPolarHBondContact CA-OG1 3.35Å; L454-T457 PolarHBondContact O-N 2.69Å; L454-T457 PolarHBondContact O-OG1 2.69Å; L454-T457 VanDerWaalsContact O-OG1 3.1Å; T457-H460 PolarHBondContact O-N 2.81Å; T457-T461 WeakPolarHBondContact O-CB 3.06Å; T457-T461 VanDerWaalsContact O-CG2 3.3Å; T457-T461 WeakPolarHBondContact O-CG2 3.47Å; T457-T461 PolarHBondContact O-N 2.04Å; T457-T461 PolarHBondContact O-OG1 2.75Å
458L83.3Confident80Confident96 Ų9698.6 Ų98.650%0.50352%0.523SS..Hα-helixtrans-61.4-45.8169.4-85.1159.2000111.8L454 H460 T461 V462L454-L458 WeakPolarHBondContact O-CB 3.47Å; L454-L458 PolarHBondContact O-N 2.86Å; L458-H460 VanDerWaalsContact C-N 3.29Å; L458-H460 PolarHBondContact O-N 2.92Å; L458-T461 PolarHBondContact O-N 3.33Å; L458-T461 PolarHBondContact O-OG1 2.93Å; L458-V462 HydrophobicContact CD2-CG2 4.35Å; L458-V462 WeakPolarHBondContact O-CB 3.26Å; L458-V462 VanDerWaalsContact O-CG2 3.3Å; L458-V462 WeakPolarHBondContact O-CG2 3.44Å; L458-V462 PolarHBondContact O-N 3.03Å
459Y83.8Confident78.7Confident173 Ų173101.1 Ų101.168%0.67853%0.531SS*.Hα-helixtrans-59.6-37.1178.1-179.8-101.5000112.7F455 L456 P463F455-Y459 VanDerWaalsContact O-CB 3.27Å; F455-Y459 WeakPolarHBondContact O-CB 3.47Å; F455-Y459 PolarHBondContact O-N 2.95Å; L456-Y459 PolarHBondContact O-N 3.42Å; Y459-P463 WeakPolarHBondContact O-CD 3.35Å; Y459-P463 WeakPolarHBondContact O-CG 3.43Å
460H78.3Confident77.2Confident127 Ų127101.5 Ų101.559%0.58853%0.533SS*.Hα-helixtrans-81.9-30.3176.5-70.6-58.5000114.6L456 T457 L458L456-H460 PolarHBondContact O-CD2 3.26Å; L456-H460 PolarHBondContact O-N 3.35Å; T457-H460 PolarHBondContact O-N 2.81Å; L458-H460 VanDerWaalsContact C-N 3.29Å; L458-H460 PolarHBondContact O-N 2.92Å
461T76.6Confident75.6Confident70 Ų70102.7 Ų102.743%0.42954%0.538SS..Hα-helixtrans-86.7-37.1-176.8530000114T457 L458 V464 C465T457-T461 WeakPolarHBondContact O-CB 3.06Å; T457-T461 VanDerWaalsContact O-CG2 3.3Å; T457-T461 WeakPolarHBondContact O-CG2 3.47Å; T457-T461 PolarHBondContact O-N 2.04Å; T457-T461 PolarHBondContact O-OG1 2.75Å; L458-T461 PolarHBondContact O-N 3.33Å; L458-T461 PolarHBondContact O-OG1 2.93Å; T461-V464 WeakPolarHBondContact O-CB 3.27Å; T461-V464 PolarHBondContact O-N 3.37Å; T461-C465 PolarHBondContact O-N 3.45Å
462V75.3Confident74Confident84 Ų84109.4 Ų109.451%0.50956%0.555SS.*Hα-helixtrans-54.5-43.7179.1167.60000112.8L458 V464 R466L458-V462 HydrophobicContact CD2-CG2 4.35Å; L458-V462 WeakPolarHBondContact O-CB 3.26Å; L458-V462 VanDerWaalsContact O-CG2 3.3Å; L458-V462 WeakPolarHBondContact O-CG2 3.44Å; L458-V462 PolarHBondContact O-N 3.03Å; V462-V464 VanDerWaalsContact C-N 3.28Å; V462-V464 PolarHBondContact O-N 3.45Å; V462-R466 WeakPolarHBondContact O-CB 3.35Å; V462-R466 PolarHBondContact O-N 3.06Å; V462-R466 VanDerWaalsContact O-N 3.1Å
463P70.8Confident72.4Confident73 Ų73109.3 Ų109.347%0.47455%0.554SS.*Hα-helixtrans-63.9-28.3174.9-23.535000114.5Y459Y459-P463 WeakPolarHBondContact O-CD 3.35Å; Y459-P463 WeakPolarHBondContact O-CG 3.43Å
464V69.8Low70.7Confident88 Ų88113.6 Ų113.653%0.53357%0.57SS.*Hα-helixtrans-78.5-52.1179.8179.40000110T461 V462 R466 K467T461-V464 WeakPolarHBondContact O-CB 3.27Å; T461-V464 PolarHBondContact O-N 3.37Å; V462-V464 VanDerWaalsContact C-N 3.28Å; V462-V464 PolarHBondContact O-N 3.45Å; V464-R466 PolarHBondContact O-N 2.92Å; V464-K467 WeakPolarHBondContact O-CB 3.43Å; V464-K467 PolarHBondContact O-N 3.21Å
465C62Low69Low76 Ų76113.1 Ų113.151%0.51458%0.575SS.*Hα-helixtrans-58.9-31.8177.1-61.30000112.3T461 K467 E468 V469T461-C465 PolarHBondContact O-N 3.45Å; C465-K467 VanDerWaalsContact C-N 3.28Å; C465-K467 PolarHBondContact O-N 3.04Å; C465-E468 PolarHBondContact O-N 3.37Å; C465-V469 WeakPolarHBondContact O-CG2 3.42Å; C465-V469 PolarHBondContact O-N 3.14Å
466R65.6Low67Low196 Ų196110.2 Ų110.274%0.7457%0.57SS**Hα-helixtrans-68.6-21.1176.4-154.7177.2-165.9-167.64.5113.8V462 V464 V470V462-R466 WeakPolarHBondContact O-CB 3.35Å; V462-R466 PolarHBondContact O-N 3.06Å; V462-R466 VanDerWaalsContact O-N 3.1Å; V464-R466 PolarHBondContact O-N 2.92Å; R466-V470 VanDerWaalsContact O-CG2 3.3Å; R466-V470 WeakPolarHBondContact O-CG2 3.31Å
467K62.3Low65Low153 Ų153111.5 Ų111.567%0.66558%0.584SS**Hα-helixtrans-76.5-48173.1-71.1-177.4176.6-175.70111.7V464 C465 V469 V470 M471V464-K467 WeakPolarHBondContact O-CB 3.43Å; V464-K467 PolarHBondContact O-N 3.21Å; C465-K467 VanDerWaalsContact C-N 3.28Å; C465-K467 PolarHBondContact O-N 3.04Å; K467-V469 PolarHBondContact O-N 3.17Å; K467-V470 PolarHBondContact O-N 2.6Å; K467-M471 PolarHBondContact O-N 3.1Å
468E63.2Low62.9Low122 Ų122113.2 Ų113.257%0.5760%0.599SS**Hα-helixtrans-56.2-47.6178.6-65.8-59.8129.600111.9C465 V470 M471 W472C465-E468 PolarHBondContact O-N 3.37Å; E468-V470 VanDerWaalsContact C-N 3.3Å; E468-V470 PolarHBondContact O-N 3.42Å; E468-M471 PolarHBondContact O-N 3.02Å; E468-W472 PolarHBondContact O-N 3.16Å
469V62Low61Low90 Ų90115.2 Ų115.255%0.54562%0.618SS.*Hα-helixtrans-63.7-33.6-178.9174.50000112.5C465 K467 W472 V473C465-V469 WeakPolarHBondContact O-CG2 3.42Å; C465-V469 PolarHBondContact O-N 3.14Å; K467-V469 PolarHBondContact O-N 3.17Å; V469-W472 PolarHBondContact O-N 2.97Å; V469-V473 WeakPolarHBondContact O-CG2 3.43Å; V469-V473 PolarHBondContact O-N 2.63Å
470V60.3Low59.2Low85 Ų85110.2 Ų110.252%0.51562%0.619SS.*Hα-helixtrans-67.9-44.6177.7169.30000111.1R466 K467 E468 W472 V473 D474R466-V470 VanDerWaalsContact O-CG2 3.3Å; R466-V470 WeakPolarHBondContact O-CG2 3.31Å; K467-V470 PolarHBondContact O-N 2.6Å; E468-V470 VanDerWaalsContact C-N 3.3Å; E468-V470 PolarHBondContact O-N 3.42Å; V470-W472 PolarHBondContact O-N 3.41Å; V470-V473 PolarHBondContact O-N 3.22Å; V470-D474 PolarHBondContact O-N 2.93Å
471M59.1Low57.2Low123 Ų123114.2 Ų114.261%0.60663%0.634SS**Hα-helixtrans-63.9-28.7177.3-60.3-159.4-55.700112.8K467 E468 S475K467-M471 PolarHBondContact O-N 3.1Å; E468-M471 PolarHBondContact O-N 3.02Å; M471-S475 PolarHBondContact O-OG 3.01Å
472W54.9Low55.4Low181 Ų181116.6 Ų116.669%0.68665%0.654SS**Hα-helixtrans-72.5-40.4175.8-175.679.7000113.1E468 V469 V470 D474 S475E468-W472 PolarHBondContact O-N 3.16Å; V469-W472 PolarHBondContact O-N 2.97Å; V470-W472 PolarHBondContact O-N 3.41Å; W472-D474 PolarHBondContact O-N 3.19Å; W472-S475 WeakPolarHBondContact O-CB 3.34Å; W472-S475 PolarHBondContact O-N 3.08Å; W472-S475 VanDerWaalsContact O-N 3.16Å
473V58.9Low53.5Low85 Ų85121.4 Ų121.452%0.51567%0.668SS.*Hα-helixtrans-64.6-37.7-177.5169.20000112.4V469 V470 S475V469-V473 WeakPolarHBondContact O-CG2 3.43Å; V469-V473 PolarHBondContact O-N 2.63Å; V470-V473 PolarHBondContact O-N 3.22Å; V473-S475 PolarHBondContact O-N 2.74Å; V473-S475 VanDerWaalsContact O-N 3.11Å
474D53.4Low52Low139 Ų139124.4 Ų124.474%0.74368%0.679SS**THydrogen-bonded Turntrans-68.2-6.8178-71.5-24.4000113.7V470 W472V470-D474 PolarHBondContact O-N 2.93Å; W472-D474 PolarHBondContact O-N 3.19Å
475S54.3Low50.5Low90 Ų90127.8 Ų127.863%0.62969%0.693SS**THydrogen-bonded Turntrans-95.51.2-175.6-60.30000115.1M471 W472 V473M471-S475 PolarHBondContact O-OG 3.01Å; W472-S475 WeakPolarHBondContact O-CB 3.34Å; W472-S475 PolarHBondContact O-N 3.08Å; W472-S475 VanDerWaalsContact O-N 3.16Å; V473-S475 PolarHBondContact O-N 2.74Å; V473-S475 VanDerWaalsContact O-N 3.11Å
476V44.9Very low49Very low94 Ų94128.8 Ų128.857%0.5770%0.701SS**  trans-116111.6-168.1-172.80000113.3
477P43.7Very low47.6Very low120 Ų120127 Ų12778%0.77970%0.701SS**  trans-80.4146.4178.532-34.6000113.3
478S37.5Very low46.8Very low112 Ų112126.8 Ų126.878%0.78371%0.705SS**  trans-91.2137.9-172.757.80000114.9G480S478-G480 PolarHBondContact O-N 3.12Å; S478-G480 VanDerWaalsContact O-N 3.1Å
479P44Very low45.3Very low139 Ų139129.9 Ų129.990%0.90372%0.717SS**  trans-83.884.5-177.333.3-35000112
480G46Very low43.9Very low68 Ų68131 Ų13170%0.70173%0.728SS**  trans-135.214.5-170.500000118.3S478S478-G480 PolarHBondContact O-N 3.12Å; S478-G480 VanDerWaalsContact O-N 3.1Å
481K36.8Very low42.5Very low210 Ų210132.2 Ų132.291%0.91374%0.741SS**  trans-141.159.1-172.3-71.8-166.1176.1179.90117.3
482S38.3Very low41.1Very low120 Ų120131.7 Ų131.784%0.83975%0.75SS**  trans-170.7146.2155.345.70000111.5
483K35.5Very low40.1Very low185 Ų185128.4 Ų128.480%0.80475%0.754SS**  cis-160.2124.8-30-148.9-172.8-174.9-176.10108.5
484I39.8Very low39.6Very low136 Ų136129.8 Ų129.870%0.69777%0.765SS**  trans63.6115.4156.1-69.2167.1000118.5
485L37.9Very low38.8Very low160 Ų160128.9 Ų128.984%0.83876%0.764SS**  trans38.5149.1132.2-61.9164.3000120.8
486S31Very low37.8Very low97 Ų97131.5 Ų131.568%0.67877%0.771SS**  cis-157.1165.63.434.70000108.2
487E36.6Very low36.9Very low159 Ų159133.8 Ų133.874%0.74378%0.777SS**  -174.9174.469.1-83.7-171.592.200111.4
488I43.9Very low36.3Very low147 Ų147135.2 Ų135.275%0.75477%0.773SS**  trans29.796.2153-55.3156.4000116
489K33.5Very low35.9Very low188 Ų188134.3 Ų134.382%0.81777%0.767SS**  cis74.3132.949.2-162.7-176.5178.6-175.80115.4
490S31.9Very low35.2Very low112 Ų112133.9 Ų133.978%0.78375%0.753SS**  trans76.7142.4172.476.80000115.5
491S30.1Very low34.4Very low111 Ų111138.1 Ų138.178%0.77675%0.752SS**  cis-160.6163.3-4.241.90000108.9
492S31Very low34.5Very low113 Ų113136.1 Ų136.179%0.7975%0.748SS**  cis-155.4161.7-9.1420000110.7
493S34.2Very low33.9Very low112 Ų112135.6 Ų135.678%0.78374%0.744SS**  trans-57.1178.5176-35.50000115.6
494P47.3Very low33.4Very low114 Ų114134 Ų13474%0.7474%0.743SS**  cis-124.6-159.3-3.737.9-17.6000111.4
495T37.3Very low32.7Very low119 Ų119133.4 Ų133.473%0.7375%0.749SS**  cis-160.7163.41.5-4.80000105.5
496L33.6Very low32.1Very low145 Ų145131.5 Ų131.576%0.75975%0.749SS**  cis-153.9126.9-9.4-165.569.8000103.4
497M26.2Very low32Very low142 Ų142133.2 Ų133.270%0.776%0.756SS**  46.1117.386.9-68.2-138.8134.800114.9
498Q29.9Very low31.7Very low151 Ų151134.8 Ų134.871%0.70676%0.763SS**  73.2147.582.1-104.6-176.23.300113
499S28.4Very low31.1Very low93 Ų93134.6 Ų134.665%0.6576%0.763SS**  cis-146.7161.76.959.60000109.7
500E30.9Very low31.1Very low129 Ų129132.7 Ų132.760%0.60376%0.761SS**  33.4142.582.4-51-164.9108.900115.7
501K27.6Very low30.9Very low157 Ų157133.4 Ų133.468%0.68376%0.756SS**  cis-162.3144.6-5.1-122.7168.1179.9151.90110.2
502M39Very low31Very low169 Ų169138.7 Ų138.783%0.83376%0.759SS**  trans41.5107131.7-162.7174.4-64.400120.8
503S27.1Very low31.2Very low109 Ų109139.4 Ų139.476%0.76276%0.759SS**  trans-148.5121.6157.655.70000108.3
504I25.1Very low30.8Very low152 Ų152139.7 Ų139.778%0.77976%0.761SS**  92.2123.363.1-79.8174.3000112.9
505C24Very low29.8Very low123 Ų123140.4 Ų140.483%0.83176%0.763SS**  trans40.5132.1155.4-62.40000120.4
506S25.9Very low29.1Very low119 Ų119140.7 Ų140.783%0.83277%0.769SS**  -146.4174.475.760.50000115.3
507V29.3Very low28.9Very low134 Ų134139 Ų13981%0.81277%0.769SS**  trans-137.5133.3176174.40000109.2
508Q30.3Very low29.4Very low191 Ų191136.5 Ų136.589%0.89377%0.765SS**  trans-160.8153.7151.4-114.7166.437.700111.9
509N29.9Very low29.6Very low144 Ų144137.9 Ų137.977%0.7777%0.772SS**  trans-77.1172.6170.5-71.3-54.9000110
510L34.1Very low29.6Very low147 Ų147137.5 Ų137.577%0.7777%0.774SS**  cis-159.2165.523.5-141.7143000111.5
511D27.7Very low29.7Very low128 Ų128139.9 Ų139.968%0.68479%0.79SS**  trans88.1122.1151.9-107.1-28.2000123.7
512R31.9Very low29.8Very low221 Ų221140.1 Ų140.183%0.83480%0.798SS**  trans56.6110.9146.6-80.4172.8170.9-151.4-5.5125.3
513V35.3Very low29.4Very low129 Ų129144 Ų14478%0.78280%0.804SS**  71.8103.8129.2-175.20000119.7
514S27.3Very low30.1Very low117 Ų117144.2 Ų144.282%0.81880%0.802SS**  -166.7172.210638.30000110
515T24.2Very low30.4Very low130 Ų130144 Ų14480%0.79880%0.803SS**  trans-115.9154.5-150.7-18.10000115.3
516C23.6Very low30.9Very low125 Ų125146 Ų14685%0.84580%0.798SS**  trans72.394.8159.4-63.40000118.9
517S29.3Very low31.3Very low110 Ų110146.2 Ų146.277%0.76979%0.789SS**  trans-119167143.6-1650000106.5
518S36.3Very low31.5Very low88 Ų88145.6 Ų145.662%0.61579%0.786SS**  cis-147.5-175.313.2-47.40000109.6
519E33.6Very low31.7Very low180 Ų180144.7 Ų144.784%0.84178%0.782SS**  cis-164.3163.91.7-139.4146.5-11100109.7
520A29.6Very low31.9Very low86 Ų86144.4 Ų144.471%0.71179%0.785SS**  trans-159.7125.1173.800000118.5
521L32.3Very low31.5Very low178 Ų178144.5 Ų144.593%0.93278%0.783SS**  trans68.3162.5137.7-61.5174.7000123.7
522L30Very low31.4Very low162 Ų162148.9 Ų148.985%0.84879%0.791SS**  trans-145.3147.5-170-76.5165.2000111.7
523W30.4Very low31.2Very low252 Ų252143 Ų14396%0.95579%0.789SS**  trans-168.6141.2163-97.6108.2000115
524P41.5Very low30.9Very low112 Ų112143.8 Ų143.873%0.72779%0.789SS**  trans-143143.317039.4-21.9000120
525N32.4Very low31Very low149 Ų149145.7 Ų145.780%0.79779%0.785SS**  trans45.6122138.4-132.716.8000127.8
526K33.9Very low31.2Very low165 Ų165144.8 Ų144.872%0.71778%0.784SS**  trans65129.3130.9-92.3-168.4170.2-176.30128.7
527N34.8Very low31.4Very low123 Ų123149.9 Ų149.966%0.65879%0.785SS**  89.2119.7127.1-86.333.3000127.3
528T34.2Very low31.3Very low120 Ų120149.5 Ų149.574%0.73678%0.782SS**  trans67.3118136.948.10000126.3
529E33.3Very low31Very low173 Ų173149.9 Ų149.981%0.80878%0.784SS**  trans57121.6140.6-67-164130.200125.9
530T33.5Very low30.7Very low138 Ų138152.1 Ų152.185%0.84779%0.785SS**  trans64.1146.5159.753.10000118.6
531M27.1Very low30.6Very low148 Ų148153.9 Ų153.973%0.72978%0.782SS**  cis-149.2146.815.1-150-152.5-148.300112.9
532R24.7Very low30.2Very low221 Ų221149.4 Ų149.483%0.83477%0.765SS**  trans60.6141157.9-79.9-178.3-177.1169.63122.1
533A28.1Very low30.1Very low97 Ų97148 Ų14880%0.80276%0.758SS**  trans8394.8142.200000121.5
534D28.1Very low29.9Very low146 Ų146143.7 Ų143.778%0.78175%0.754SS**  96.7150.1120.9-148.314.3000121.2
535Q30.3Very low29.2Very low156 Ų156145.8 Ų145.873%0.72976%0.759SS**  trans64104.9168.6-55.4-162.116.100122.5
536S28Very low29.6Very low111 Ų111144 Ų14478%0.77676%0.755SS**  103.5138.7119.980.50000122.2
537R27.4Very low29.1Very low232 Ų232141 Ų14188%0.87575%0.754SS**  trans50.6107.1151.5-89.7-175.8171.3172.2-2.6121.5
538S27.7Very low29.8Very low102 Ų102140.1 Ų140.171%0.71376%0.756SS**  62.7147115.277.40000120.2
539C30.4Very low29.5Very low96 Ų96141.4 Ų141.465%0.64976%0.757SS**  cis-172.81486.6-130.30000112.2
540W28.1Very low29.3Very low228 Ų228139 Ų13986%0.86475%0.75SS**  trans59165.6169.2-49.6100.7000116.3
541N26.2Very low29.1Very low122 Ų122138.1 Ų138.165%0.65274%0.74SS**  cis-152.9170.60.8-146.96.9000112.8
542C25Very low29.2Very low84 Ų84136.4 Ų136.457%0.56874%0.737SS**  trans31.1147.4144.1-72.10000122.5
543D28.1Very low29.4Very low132 Ų132133.6 Ų133.671%0.70673%0.734SS**  cis-165.6161.91-94.7-28.6000110.2
544N26.2Very low29.4Very low163 Ų163133.3 Ų133.387%0.87273%0.725SS**  168.2158.1123-93.9-76.3000115.2
545L25.8Very low29.4Very low156 Ų156131.2 Ų131.282%0.81772%0.723SS**  trans-102.9-170-176.1-116.178.1000111.8
546P40Very low29.4Very low112 Ų112130.6 Ų130.673%0.72772%0.724SS**  cis-138.1174.611.436.5-13.6000120
547S24.3Very low29.6Very low100 Ų100131.4 Ų131.470%0.69972%0.724SS**  trans-25.3-169157.566.70000121.1
548P48.7Very low29.7Very low105 Ų105126 Ų12668%0.68272%0.722SS**  cis-145.5-168.41145.7-24.8000119.8
549L28.9Very low29.7Very low147 Ų147125.6 Ų125.677%0.7772%0.719SS**  trans73.9134.8168.7-99.757.9000117.4
550D29.6Very low29.5Very low123 Ų123129.8 Ų129.866%0.65873%0.732SS**  cis-174.6167.9-17.1-108.112000106.2
551N28.4Very low29.4Very low120 Ų120125 Ų12564%0.64273%0.733SS**  cis-155.5144.1-0.7-112.6-37.8000107.5
552V30.3Very low29.4Very low111 Ų111128.5 Ų128.567%0.67374%0.743SS**  59.3120.291.8178.70000114.2
553H27.2Very low29.5Very low163 Ų163129.8 Ų129.876%0.75575%0.753SS**  cis-157.4137.946.6-138.2-55.5000114.8
554S28.1Very low29.5Very low90 Ų90127 Ų12763%0.62976%0.755SS**  trans41.9147.2147.5540000123
555S29.8Very low30.1Very low103 Ų103124.2 Ų124.272%0.7275%0.746SS**  cis-178.7163.1-9.7-92.40000106.8
556D29.6Very low30.3Very low143 Ų143127.4 Ų127.477%0.76575%0.749SS**  cis178.8168.6-24.5-100.4-55.3000105
557T31.7Very low30Very low127 Ų127128.9 Ų128.978%0.77975%0.749SS**  trans-136.9169.2-16959.30000114.7
558S29.5Very low30.1Very low118 Ų118134.3 Ų134.383%0.82576%0.76SS**  trans89.6-166.6148.685.30000118.5
559S27.8Very low29Very low94 Ų94134.3 Ų134.366%0.65776%0.762SS**  trans-134.3155.6-137.453.90000113.7
560M26.5Very low28.9Very low184 Ų184136.7 Ų136.791%0.90677%0.769SS**  trans65.3124.5160.5-64.9175.5170.100118.8
561S25.4Very low28.7Very low128 Ų128134.2 Ų134.290%0.89577%0.773SS**  -169.1-179.7123.856.40000110.8
562F26.7Very low28.6Very low196 Ų196134.7 Ų134.786%0.8679%0.785SS**  trans-124.4177.6-164.3-146.2-100.8000112.2
563S27.8Very low28.5Very low111 Ų111133.3 Ų133.378%0.77679%0.793SS**  trans73121.2164.9-55.20000118.9
564G28.1Very low28.5Very low73 Ų73134.1 Ų134.175%0.75380%0.797SS**  trans-117.8175.2154.500000110.6
565P38.1Very low28.4Very low104 Ų104137.6 Ų137.668%0.67581%0.806SS**  trans-133.3161.5-171.843.2-28.7000117.9
566Y29.3Very low28.1Very low224 Ų224137.5 Ų137.588%0.87881%0.805SS**  trans80.1150.2158.8-55.6-54.9000121.9
567I35.2Very low27.7Very low143 Ų143138 Ų13873%0.73381%0.805SS**  trans-123.2144.8-175.7-63.8166.4000108
568F26.4Very low27.3Very low213 Ų213140 Ų14093%0.93481%0.805SS**  trans-140.4158.5153.8-97.1-78.6000110.2
569C25.2Very low28Very low105 Ų105139.2 Ų139.271%0.70980%0.797SS**  trans-122.1165.5-161.3-60.30000114.4
570Q26.3Very low27.9Very low198 Ų198142.4 Ų142.493%0.92580%0.802SS**  trans92136.6139.1-161171.310.900120.4
571G25.3Very low27.9Very low71 Ų71140.9 Ų140.973%0.73279%0.792SS**  trans100.2142.2165.800000114.9
572S27.2Very low28.1Very low130 Ų130142.2 Ų142.291%0.90978%0.782SS**  cis-163.7149.2-13.753.10000109.6
573G26.8Very low28Very low82 Ų82140.4 Ų140.485%0.84578%0.777SS**  trans176.789.9179.700000116.8
574Q28.5Very low28Very low179 Ų179142.2 Ų142.284%0.83678%0.782SS**  trans-77.1166.2164.9-76.6172.7-64.600110.5
575M24.8Very low27.9Very low164 Ų164148.9 Ų148.981%0.80879%0.785SS**  cis-162.7170.411.2-144164.8166.800113.1
576S23.1Very low27.3Very low101 Ų101153.2 Ų153.271%0.70680%0.796SS**  trans96.6101.5140.4-1620000122.1
577M23.1Very low27.1Very low153 Ų153148.2 Ų148.275%0.75479%0.789SS**  34.1131.2129.3-50.1-58.4-178.200121.2
578E23.3Very low26.7Very low168 Ų168150.7 Ų150.779%0.78579%0.794SS**  cis75.5147.640.6-170.1167.1-151.500113.5
579P42.3Very low26.7Very low102 Ų102145.9 Ų145.966%0.66279%0.787SS**  cis-132.2-170.6-0.5224.6000117.3
580Q26.6Very low26.8Very low162 Ų162151.1 Ų151.176%0.75779%0.794SS**  trans112.5113.9146.9-65.1-162.3-900117.1
581Q27.6Very low26.8Very low151 Ų151150.8 Ų150.871%0.70679%0.792SS**  94132.463-167.6173.750.800110
582K28.4Very low26.9Very low156 Ų156152.4 Ų152.468%0.67880%0.798SS**  cis-154142.727.8-140.9166.3177.6-176.70112.9
583E25.8Very low27.1Very low159 Ų159152.5 Ų152.574%0.74379%0.793SS**  39.4125.8128.8-167.2171-145.700122.6
584V26.6Very low27.2Very low148 Ų148154 Ų15490%0.89779%0.788SS**  -161.5153121.3141.20000109.7
585R27Very low27.1Very low214 Ų214153.7 Ų153.781%0.80879%0.791SS**  trans-98.8140.5-173.4159.1-159.2-73.2-170.1-2.5111.6
586E25.1Very low27.3Very low194 Ų194154.9 Ų154.991%0.90779%0.792SS**  -165.4166127.9-114.8178.3-151.800115
587T25.8Very low27.7Very low119 Ų119156.1 Ų156.173%0.7380%0.798SS**  trans-122.2137.9-154.9-47.30000112.6
588K24.8Very low27.9Very low195 Ų195153 Ų15385%0.84880%0.796SS**  trans-159.2151.2149.2-114.1152.5-171.3170.30113.4
589S26.4Very low28.3Very low112 Ų112150.9 Ų150.978%0.78380%0.797SS**  trans-77.6156.9-178.6-169.80000112.4
590Y27.9Very low27.4Very low216 Ų216151.7 Ų151.785%0.84780%0.804SS**  trans-144.6125.9162.228.2-93.2000110
591E27.2Very low27.6Very low191 Ų191150 Ų15089%0.89381%0.807SS**  trans-72.6153.4169.4-74.1170.1101.800110.8
592A26.9Very low27.6Very low104 Ų104151 Ų15186%0.8682%0.816SS**  trans-97.5132.6179.700000111.7
593V30.6Very low27.5Very low133 Ų133153.8 Ų153.881%0.80682%0.822SS**  trans-128.4142.9169.9176.40000108
594P30.3Very low27.6Very low113 Ų113152 Ų15273%0.73482%0.818SS**  trans-70.5151.1-159.4-2335.7000116.4
595L26.4Very low27.7Very low172 Ų172154.4 Ų154.490%0.90182%0.816SS**  trans-82.7131.7173.4-73.4160.5000111.7
596F28.1Very low27.8Very low189 Ų189151 Ų15183%0.82981%0.814SS**  trans-116.1145.1154.6-76.9-80.5000109.1
597P31.1Very low28Very low127 Ų127152.7 Ų152.783%0.82581%0.814SS**PPolyproline II helixtrans-76.2130.6-166.929-35000113.3
598A28.9Very low28Very low87 Ų87153.4 Ų153.472%0.71982%0.818SS**PPolyproline II helixtrans-91152.6170.300000111.7
599P30.2Very low28.1Very low125 Ų125149.8 Ų149.881%0.81282%0.816SS**PPolyproline II helixtrans-71.1145.4-177.5-17.532.1000113.8
600C24.8Very low28.1Very low119 Ų119152.1 Ų152.180%0.80482%0.818SS**PPolyproline II helixtrans-73.1131.9177.2-54.80000112.3
601P29.6Very low28.2Very low125 Ų125147.7 Ų147.781%0.81282%0.816SS**PPolyproline II helixtrans-83.5118.5168.232.1-30.8000110.5
602L27.8Very low28.1Very low173 Ų173146.1 Ų146.191%0.90681%0.814SS**PPolyproline II helixtrans-90.7134.6168.6-125.275.5000110.4
603R26.2Very low28.3Very low215 Ų215151.5 Ų151.581%0.81181%0.812SS**  trans-112.3162.8174.5-137.1-163.3-165.2-81.710.3110.6
604D28.6Very low28.1Very low121 Ų121151.3 Ų151.365%0.64781%0.812SS**  trans-43.3141.5-169.5-44.9-78.2000116.9
605K28.8Very low28Very low199 Ų199153.1 Ų153.187%0.86582%0.821SS**  trans-159.9147130.9-110160.7-172.1175.90112.2
606D27.6Very low28.1Very low143 Ų143153.6 Ų153.677%0.76582%0.823SS**  trans-72.1135.2-169-46.3-101.7000113.7
607Y30.2Very low28Very low228 Ų228149.7 Ų149.789%0.89482%0.819SS**  trans-147139.2148.6-86.6-68.1000111.2
608V26.3Very low27.8Very low135 Ų135154.6 Ų154.682%0.81882%0.821SS**  trans-96.9122.7178.1176.60000109.6
609C26.7Very low27.8Very low118 Ų118155 Ų15580%0.79782%0.819SS**  trans-119.2123.7170.1-66.50000110.6
610L26.7Very low27.8Very low161 Ų161154.7 Ų154.784%0.84382%0.815SS**PPolyproline II helixtrans-78143.1175-73.9163.2000110.7N612L610-N612 PolarHBondContact O-N 3.34Å
611P28.8Very low27.9Very low123 Ų123157.1 Ų157.180%0.79981%0.814SS**PPolyproline II helixtrans-76.8118.3-17930.2-33.7000111.2
612N26.5Very low27.8Very low159 Ų159159.2 Ų159.285%0.8582%0.819SS**PPolyproline II helixtrans-82.7143.4169.7-162.49.7000110.9L610L610-N612 PolarHBondContact O-N 3.34Å
613R29.6Very low27.8Very low216 Ų216157.8 Ų157.882%0.81581%0.811SS**PPolyproline II helixtrans-87.3136.7175.3-66.5175.4167.9-166.9-3.2109.6
614T27.5Very low28Very low130 Ų130153.9 Ų153.980%0.79881%0.811SS**  169.4120.5100.441.30000112.5
615T26.9Very low27.8Very low151 Ų151153.7 Ų153.793%0.92682%0.819SS**  -158.6129.112519.90000108
616L30.2Very low27.8Very low181 Ų181152.7 Ų152.795%0.94882%0.817SS**  trans-140.5109.1-173.6-119.4174.4000109.9
617S25.2Very low27.7Very low107 Ų107150.7 Ų150.775%0.74882%0.815SS**  trans-172.4140161.6-138.40000107.3
618R26.9Very low27.6Very low231 Ų231145.2 Ų145.287%0.87281%0.81SS**  cis-1511456.4-148.2174.4-178.6172-1.3108.6
619S29Very low27.7Very low96 Ų96144.6 Ų144.667%0.67181%0.812SS**  trans-87.3-178.8158.865.40000108.7
620T29.1Very low27.6Very low117 Ų117142.2 Ų142.272%0.71881%0.807SS**  cis-162.1156.611.1-19.30000105.9
621E28.8Very low28.3Very low171 Ų171140 Ų14080%0.79980%0.803SS**  trans170139130.9-97.2161.9-157.800110.9
622D26.4Very low28.4Very low169 Ų169143.1 Ų143.190%0.90480%0.803SS**  trans-156.1119152.7-134.4-18.9000107
623L28.7Very low28.3Very low142 Ų142144.9 Ų144.974%0.74380%0.798SS**  trans-107.9149.6-167.3-87.5166.6000112.3
624T29.4Very low28.1Very low133 Ų133145.6 Ų145.682%0.81680%0.803SS**  trans-70.9133.3174.248.90000112
625S24.8Very low28Very low117 Ų117144.9 Ų144.982%0.81879%0.794SS**  trans-134.3145.6163.361.60000111.1
626H28.6Very low28Very low178 Ų178142.5 Ų142.582%0.82478%0.783SS**  trans-115.4164.2-178.6-88-92.7000111.3
627S26.4Very low28.5Very low102 Ų102139.5 Ų139.571%0.71378%0.775SS**  trans64.198.6150.355.30000120.4
628S27.6Very low28.6Very low113 Ų113143.1 Ų143.179%0.7978%0.78SS**  58.1117.2120.865.50000122.2
629S27.9Very low28.7Very low122 Ų122141.6 Ų141.685%0.85378%0.782SS**  -156.5147.6128.347.90000110.8
630G25.2Very low28.7Very low68 Ų68143 Ų14370%0.70178%0.783SS**  trans-92.6-164.6165.100000110.9
631P41.2Very low28.7Very low115 Ų115146 Ų14675%0.74779%0.788SS**  cis-146.7169.833.942.8-24.8000118
632K29.9Very low28.7Very low187 Ų187145.5 Ų145.581%0.81379%0.786SS**  trans59.8161.1143.5-79.6-178.6177.2-171.20119.9
633W25.4Very low28.8Very low197 Ų197145.6 Ų145.675%0.74678%0.781SS**  cis-175146.2-35.2-123.933.2000106.2
634Y25.2Very low28.7Very low231 Ų231146.8 Ų146.891%0.90679%0.787SS**  trans-163.7152.6146.4-106.6-66.4000109.4
635D24.3Very low28.6Very low114 Ų114146.6 Ų146.661%0.6178%0.781SS**  trans-99.2168.4-154.2-61.6-82.9000116.3
636S26.8Very low28.7Very low101 Ų101146 Ų14671%0.70678%0.783SS**  trans-69.7173.4166.6-47.80000112
637P40.9Very low28.8Very low119 Ų119143.9 Ų143.977%0.77378%0.783SS**  -120.3150.374.80.522.7000112.1
638E28.6Very low28.7Very low183 Ų183147.4 Ų147.486%0.85579%0.793SS**  57.7108.864.9-66.8-164.3140.300115.6
639Q27.8Very low28.7Very low198 Ų198152.9 Ų152.993%0.92580%0.796SS**  trans-151.3143.8133.5-157.7159.63.800110.7
640D28.5Very low29.5Very low126 Ų126152.2 Ų152.267%0.67479%0.789SS**  trans-121.1139.8-173.4171.529.2000110.5
641Q30.6Very low29.5Very low180 Ų180154.3 Ų154.384%0.84179%0.788SS**  trans-163.290162-119.2169.513.400115.8
642Q28.5Very low28.9Very low161 Ų161157.1 Ų157.175%0.75279%0.791SS**  27.4111.3128.2-59.1-179.61.500120.9
643H28.5Very low28.8Very low171 Ų171151.9 Ų151.979%0.79278%0.778SS**  27.8130.8121.3-111.7-88.1000121.4
644L26.2Very low28.8Very low166 Ų166149 Ų14987%0.86978%0.777SS**  -160.5161.6129.4-113.7162.8000113.6
645N26.9Very low29.1Very low129 Ų129142.9 Ų142.969%0.6977%0.768SS**  trans-93.5156.8-168-54.8-46.3000113.5
646A26.8Very low29.5Very low104 Ų104148.1 Ų148.186%0.8678%0.779SS**  -159.8138.4126.500000111.7
647T30.3Very low29.6Very low134 Ų134148.3 Ų148.382%0.82278%0.78SS**  trans-121.7135.1173.9-54.70000108.4
648L26.4Very low29Very low176 Ų176146.4 Ų146.492%0.92178%0.782SS**  trans-167.4152.1143.7-104.7157.2000112.6
649R26.1Very low29.1Very low229 Ų229143.6 Ų143.686%0.86478%0.783SS**  trans-124.8-170.2-178.9-118.2-178-173.2179.83.2105.7
650P44.7Very low29Very low107 Ų107139.1 Ų139.170%0.69578%0.78SS**  cis-135.3-155.8-16.622.44.7000112.5
651V25.9Very low29.1Very low112 Ų112141.9 Ų141.968%0.67979%0.789SS**  trans110.3107.2143.3179.60000119.9
652Q28.7Very low30Very low174 Ų174138.3 Ų138.381%0.81378%0.781SS**  trans59.4159.6147.1-83169.3-74.800120.9
653S26.7Very low30Very low77 Ų77134.6 Ų134.654%0.53878%0.778SS.*  cis-148.2162.82.8-118.80000112
654D27.1Very low30Very low138 Ų138132.7 Ų132.774%0.73878%0.779SS**  trans26.1155.9135.1-49.8-47.2000123.1
655S31.2Very low30.1Very low101 Ų101135.4 Ų135.471%0.70678%0.777SS**  cis-172.6161.3-2764.90000110.8
656R32.1Very low30.2Very low225 Ų225136.6 Ų136.685%0.84978%0.784SS**  trans65122146.3-125.5-165.4176.4148.8-0.5122.4
657S30Very low30.4Very low104 Ų104140.2 Ų140.273%0.72778%0.782SS**  trans53.8147.3131.462.80000122.6
658G26.6Very low31.5Very low79 Ų79138.7 Ų138.781%0.81478%0.775SS**  cis176.8-152.97.500000115.6
659S31.4Very low31.7Very low125 Ų125135.4 Ų135.487%0.87477%0.767SS**  trans-94.3155-160.153.20000116.7
660A26.6Very low31.9Very low103 Ų103132.2 Ų132.285%0.85177%0.767SS**  trans-152152.7152.300000112.5
661E29.5Very low31.3Very low185 Ų185137.7 Ų137.786%0.86478%0.775SS**  trans-125.4-174.4173.7-127.7-165.4136.200106.8
662P49.7Very low31.5Very low104 Ų104139.4 Ų139.468%0.67579%0.786SS**  cis-138.8-168.4-11.834.3-11.5000115.3
663A28.6Very low31.7Very low84 Ų84134.6 Ų134.669%0.69478%0.784SS**  trans101.6146.1135.900000124.1
664T28.4Very low31.8Very low131 Ų131134.6 Ų134.680%0.80480%0.795SS**  trans79.995.1152.822.40000123.5
665R28.1Very low32.7Very low223 Ų223134 Ų13484%0.84280%0.799SS**  49.6115.4114.5-165.1-162.2-162.1178.26.3120.6
666N29Very low33.1Very low154 Ų154139.1 Ų139.182%0.82481%0.809SS**  -176.3173.5124.1-93.4-18.2000112.9
667Q30.8Very low33.6Very low179 Ų179133.8 Ų133.884%0.83680%0.803SS**  trans-137.4-171.2-174-151.8-165.5-21.500110.4
668P55.1Low33.6Very low102 Ų102134.1 Ų134.166%0.66281%0.806SS**  -99.6178-106.241.3-28.5000116
669S30.6Very low33.8Very low108 Ų108142 Ų14276%0.75581%0.811SS**  trans-156.9118.5156.2-40.40000114.5
670D29.9Very low34.6Very low161 Ų161141.5 Ų141.586%0.86181%0.805SS**  59.2156.2125.2-57-33.9000127.4
671Y31.2Very low34.8Very low222 Ų222144 Ų14487%0.87180%0.799SS**  trans-72.9157178.3-89.4-114.3000114.9
672T31.3Very low34.8Very low149 Ų149143.7 Ų143.791%0.91480%0.798SS**  trans-156.9157.1139.4-68.60000108.2
673G31.6Very low33.8Very low73 Ų73142.6 Ų142.675%0.75381%0.806SS**  trans-159.2176.8-178.100000116.5
674G29.3Very low33.8Very low76 Ų76143 Ų14378%0.78481%0.809SS**  trans89.4166.2-177.100000114.3
675P46.3Very low33.8Very low127 Ų127144 Ų14483%0.82581%0.809SS**  cis-122.7174.14.141.2-28.5000115.5
676F39.7Very low33.9Very low207 Ų207138.8 Ų138.891%0.90881%0.807SS**  trans-89.7153.4166-89.3-86.3000112.3
677P42.7Very low33.7Very low113 Ų113135.2 Ų135.273%0.73481%0.806SS**  -144176.2120.739.3-26.2000112.4
678S29.6Very low33.5Very low112 Ų112137 Ų13778%0.78381%0.807SS**  cis-167.3153.7-31.755.90000108.6
679W31Very low32.1Very low243 Ų243137.3 Ų137.392%0.9281%0.81SS**  trans-86.6160.4177.8-147.7-33.3000111.8
680P47.2Very low31.9Very low115 Ų115141.5 Ų141.575%0.74782%0.818SS**  trans-126.4149.2142.137.2-29.5000114.7
681Q31.7Very low32.1Very low157 Ų157141.5 Ų141.573%0.73482%0.817SS**  trans-83.7168.4-171.1-76158.8-11100115.8
682E30.3Very low32.5Very low178 Ų178136.3 Ų136.383%0.83281%0.81SS**  trans75.6148.2139.1-85.8155.9-141.300122.5
683G27Very low32.3Very low81 Ų81133.6 Ų133.684%0.83580%0.803SS**  trans159110.7179.400000109.9
684A29.1Very low32.2Very low93 Ų93134.2 Ų134.277%0.76980%0.801SS**  trans-127.5179.1-166.800000114
685N29.2Very low32.2Very low150 Ų150140.2 Ų140.280%0.80281%0.806SS**  trans91.1108.2160.6-68.6-12.2000121.4
686S28.8Very low31.3Very low115 Ų115141 Ų14180%0.80481%0.809SS**  75.1126.2120.4720000122.3
687G25.6Very low31.1Very low78 Ų78135.2 Ų135.280%0.80480%0.8SS**  trans-167.5134.7157.900000108.9
688Y27.3Very low31.4Very low217 Ų217135.4 Ų135.485%0.85180%0.801SS**  trans-114.3150.6-166.1-107.5-93000113.8
689C24.9Very low31.7Very low108 Ų108135.5 Ų135.573%0.7380%0.801SS**  trans50.1123.8155.6-76.60000120.9
690Q26.7Very low32.1Very low196 Ų196137.3 Ų137.392%0.91682%0.816SS**  -161.2139.897.1-105.9175.56.700114.5
691L33.2Very low31.4Very low162 Ų162138.4 Ų138.485%0.84882%0.819SS**  trans-128.5155.2157.6-93.3173.5000104.3
692P39.3Very low31.3Very low112 Ų112137.4 Ų137.473%0.72782%0.824SS**  -155.7-171.65543.2-22.2000117.4
693A27.3Very low31.4Very low93 Ų93135.2 Ų135.277%0.76982%0.823SS**  trans70.4156.4147.800000119
694A29.3Very low31.7Very low86 Ų86138.4 Ų138.471%0.71182%0.822SS**  cis-165.3169.6-24.400000110.2
695F29.5Very low31.8Very low201 Ų201141.2 Ų141.288%0.88283%0.826SS**  trans-10.7132165-68.2-99.3000118.6
696T28Very low32Very low143 Ų143140.6 Ų140.688%0.87783%0.827SS**  -175.1136.6107.921.30000114.6
697A35.7Very low32.2Very low87 Ų87142.4 Ų142.472%0.71983%0.829SS**  trans-111.3166.913800000105.9
698P48.3Very low32.7Very low117 Ų117147.4 Ų147.476%0.7683%0.831SS**  cis-141.4-161.720.544.5-25.4000115.4
699S36.4Very low33.2Very low113 Ų113141.6 Ų141.679%0.7983%0.829SS**  trans80.1103.3160.669.30000118.8
700K39.7Very low33.9Very low281 Ų281144.6 Ų144.6100%1.22284%0.838SS**  -139.4092.4-137.6176.4-173.1178.40111.2

Retrieved 700 of 700 residues in 423.3 ms (Link to these results)