A0A087XQB1_POEFO Loading...

Protein phosphatase 1, regulatory subunit 3Da

AlphaFold DB , UniProt , Accession A0A087XQB1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 342 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
1M30.6Very low32.6Very low225 Ų225116.5 Ų116.5100%1.10861%0.611SS**  0-25.20-89.2-179.7-162.800112.1
2E27.5Very low32.7Very low160 Ų160110.3 Ų110.375%0.74859%0.588SS**Hα-helixtrans-74.9-24.2174.2-75.4159.8134.800114.1R4 A5E2-R4 VanDerWaalsContact C-N 3.31Å; E2-R4 PolarHBondContact O-N 2.89Å; E2-A5 PolarHBondContact O-N 2.84Å
3D29.5Very low32.9Very low124 Ų124106.4 Ų106.466%0.66358%0.581SS**Hα-helixtrans-66.9-23.5-177.9-59.2-50.5000115.2
4R32.5Very low33.2Very low207 Ų207105.1 Ų105.178%0.78158%0.582SS**Hα-helixtrans-80.2-34.7173.8-93.2-178.4167.9165.1-2.9111.9E2 I6 S7 Y8E2-R4 VanDerWaalsContact C-N 3.31Å; E2-R4 PolarHBondContact O-N 2.89Å; R4-I6 VanDerWaalsContact C-N 3.31Å; R4-I6 PolarHBondContact O-N 3.44Å; R4-S7 PolarHBondContact O-N 2.89Å; R4-Y8 WeakPolarHBondContact O-CD2 3.34Å; R4-Y8 PolarHBondContact O-N 3.32Å
5A29.6Very low33.5Very low62 Ų62101.6 Ų101.651%0.51256%0.561SS.*Hα-helixtrans-67.5-30-174.500000113.1E2 Y8 S9E2-A5 PolarHBondContact O-N 2.84Å; A5-Y8 PolarHBondContact O-N 3.34Å; A5-S9 PolarHBondContact O-N 2.81Å
6I34Very low33.8Very low104 Ų104104.7 Ų104.753%0.53357%0.57SS.*Hα-helixtrans-83.7-29.7-177.5-56.6170.2000111.5R4 Y8 S9 V10R4-I6 VanDerWaalsContact C-N 3.31Å; R4-I6 PolarHBondContact O-N 3.44Å; I6-Y8 PolarHBondContact O-N 3.07Å; I6-S9 PolarHBondContact O-N 2.8Å; I6-S9 PolarHBondContact O-OG 3.01Å; I6-V10 PolarHBondContact O-N 3.3Å
7S33.1Very low33.9Very low87 Ų87106.2 Ų106.261%0.60857%0.572SS**Hα-helixtrans-61.5-33169-173.30000111.9R4 S11R4-S7 PolarHBondContact O-N 2.89Å; S7-S11 WeakPolarHBondContact O-CB 3.36Å; S7-S11 PolarHBondContact O-N 3.47Å
8Y33.8Very low34.1Very low113 Ų113102.6 Ų102.644%0.44356%0.559SS.*Hα-helixtrans-74.7-33.7175.1-79.3-78.1000112.7R4 A5 I6 A12 P289R4-Y8 WeakPolarHBondContact O-CD2 3.34Å; R4-Y8 PolarHBondContact O-N 3.32Å; A5-Y8 PolarHBondContact O-N 3.34Å; I6-Y8 PolarHBondContact O-N 3.07Å; Y8-A12 WeakPolarHBondContact O-CB 3.47Å; Y8-A12 PolarHBondContact O-N 2.91Å; Y8-P289 HydrophobicContact CE1-CB 4Å; Y8-P289 PolarHBondContact OH-O 3.03Å
9S33.3Very low34.2Very low66 Ų6699.7 Ų99.746%0.46255%0.547SS..Hα-helixtrans-74.1-35-177.467.40000113.4A5 I6 A12 A13A5-S9 PolarHBondContact O-N 2.81Å; I6-S9 PolarHBondContact O-N 2.8Å; I6-S9 PolarHBondContact O-OG 3.01Å; S9-A12 PolarHBondContact O-N 3.4Å; S9-A13 PolarHBondContact O-N 3.28Å
10V35.4Very low34.3Very low80 Ų80102.7 Ų102.749%0.48555%0.551SS.*Hα-helixtrans-75.5-35.7175.2-177.30000111I6 A12 A13 C14I6-V10 PolarHBondContact O-N 3.3Å; V10-A12 VanDerWaalsContact C-N 3.33Å; V10-A12 PolarHBondContact O-N 2.8Å; V10-A13 PolarHBondContact O-N 3Å; V10-C14 PolarHBondContact O-N 3.17Å; V10-C14 VanDerWaalsContact O-N 3.12Å
11S39.3Very low34.6Very low54 Ų54102.5 Ų102.538%0.37855%0.549SS..Hα-helixtrans-61.1-41.2170.2-173.60000111.4S7 C14 M15S7-S11 WeakPolarHBondContact O-CB 3.36Å; S7-S11 PolarHBondContact O-N 3.47Å; S11-C14 PolarHBondContact O-N 3.41Å; S11-M15 WeakPolarHBondContact O-CB 3.46Å; S11-M15 WeakPolarHBondContact O-CE 3.37Å; S11-M15 VanDerWaalsContact O-CG 3.22Å; S11-M15 WeakPolarHBondContact O-CG 3.3Å; S11-M15 PolarHBondContact O-N 2.71Å; S11-M15 WeakPolarHBondContact OG-CE 3.29Å
12A33.8Very low34.8Very low41 Ų4196 Ų9634%0.33953%0.525SS..Hα-helixtrans-63.2-40.5175.900000113.8Y8 S9 V10 M15 Q16Y8-A12 WeakPolarHBondContact O-CB 3.47Å; Y8-A12 PolarHBondContact O-N 2.91Å; S9-A12 PolarHBondContact O-N 3.4Å; V10-A12 VanDerWaalsContact C-N 3.33Å; V10-A12 PolarHBondContact O-N 2.8Å; A12-M15 PolarHBondContact O-N 3.44Å; A12-Q16 PolarHBondContact O-N 3.32Å
13A34.9Very low35.2Very low60 Ų6092.3 Ų92.350%0.49651%0.513SS..Hα-helixtrans-70.3-39.6178.500000112.6S9 V10 Q16 H17S9-A13 PolarHBondContact O-N 3.28Å; V10-A13 PolarHBondContact O-N 3Å; A13-Q16 PolarHBondContact O-N 2.9Å; A13-H17 PolarHBondContact O-N 3.46Å
14C37.4Very low35.6Very low88 Ų8890.4 Ų90.460%0.59550%0.503SS*.Hα-helixtrans-66-37.8171.6-88.50000112.1V10 S11 H17 A18V10-C14 PolarHBondContact O-N 3.17Å; V10-C14 VanDerWaalsContact O-N 3.12Å; S11-C14 PolarHBondContact O-N 3.41Å; C14-H17 PolarHBondContact O-N 3.15Å; C14-A18 WeakPolarHBondContact O-CB 3.4Å; C14-A18 PolarHBondContact O-N 3.04Å
15M38.4Very low35.8Very low53 Ų5389.8 Ų89.826%0.26150%0.501SS..Hα-helixtrans-64-40.6174.3-77.9-171.8-79.500112.1S11 A12 H17 A18 S19 L186S11-M15 WeakPolarHBondContact O-CB 3.46Å; S11-M15 WeakPolarHBondContact O-CE 3.37Å; S11-M15 VanDerWaalsContact O-CG 3.22Å; S11-M15 WeakPolarHBondContact O-CG 3.3Å; S11-M15 PolarHBondContact O-N 2.71Å; S11-M15 WeakPolarHBondContact OG-CE 3.29Å; A12-M15 PolarHBondContact O-N 3.44Å; M15-H17 PolarHBondContact O-N 2.95Å; M15-A18 PolarHBondContact O-N 3.15Å; M15-S19 WeakPolarHBondContact O-CB 3.43Å; M15-S19 PolarHBondContact O-N 3.41Å; M15-L186 HydrophobicContact CG-CD2 3.69Å; M15-L186 HydrophobicContact SD-CD2 3.72Å
16Q36.9Very low35.9Very low151 Ų15191.9 Ų91.971%0.70651%0.511SS*.Hα-helixtrans-64.4-39175.9-95.2165.2-23.200113.1A12 A13 Y20A12-Q16 PolarHBondContact O-N 3.32Å; A13-Q16 PolarHBondContact O-N 2.9Å; Q16-Y20 WeakPolarHBondContact O-CB 3.31Å; Q16-Y20 PolarHBondContact O-N 3.15Å; Q16-Y20 VanDerWaalsContact O-N 3.1Å
17H36Very low35.8Very low131 Ų13194 Ų9461%0.60652%0.519SS*.Hα-helixtrans-72.8-38177.8-155.2-114.2000112.1A13 C14 M15 L21A13-H17 PolarHBondContact O-N 3.46Å; C14-H17 PolarHBondContact O-N 3.15Å; M15-H17 PolarHBondContact O-N 2.95Å; H17-L21 WeakPolarHBondContact O-CG 3.36Å; H17-L21 PolarHBondContact O-N 2.64Å; H17-L21 VanDerWaalsContact O-N 3.16Å
18A36.9Very low35.8Very low40 Ų4099 Ų9933%0.33153%0.525SS..Hα-helixtrans-69.8-38.9175.700000112.9C14 M15 L21 C22C14-A18 WeakPolarHBondContact O-CB 3.4Å; C14-A18 PolarHBondContact O-N 3.04Å; M15-A18 PolarHBondContact O-N 3.15Å; A18-L21 PolarHBondContact O-N 3.22Å; A18-C22 WeakPolarHBondContact O-CB 3.37Å; A18-C22 PolarHBondContact O-N 3.22Å
19S36.7Very low35.6Very low48 Ų4899.8 Ų99.834%0.33654%0.543SS..Hα-helixtrans-64.5-39.6175-175.10000111.9M15 C22 T23M15-S19 WeakPolarHBondContact O-CB 3.43Å; M15-S19 PolarHBondContact O-N 3.41Å; S19-C22 PolarHBondContact O-N 2.79Å; S19-T23 PolarHBondContact O-N 3.28Å; S19-T23 PolarHBondContact O-OG1 3.16Å
20Y35.8Very low35.6Very low159 Ų159101.4 Ų101.462%0.62456%0.561SS**Hα-helixtrans-63.9-41.5174.1-161.5-100.2000112.1Q16 L24Q16-Y20 WeakPolarHBondContact O-CB 3.31Å; Q16-Y20 PolarHBondContact O-N 3.15Å; Q16-Y20 VanDerWaalsContact O-N 3.1Å; Y20-L24 HydrophobicContact CD1-CD1 3.72Å; Y20-L24 HydrophobicContact CE1-CD1 3.64Å; Y20-L24 WeakPolarHBondContact O-CG 3.5Å; Y20-L24 PolarHBondContact O-N 3.18Å; Y20-L24 VanDerWaalsContact O-N 3.16Å
21L40.4Very low35.4Very low100 Ų100105.1 Ų105.152%0.52458%0.578SS.*Hα-helixtrans-69.4-32.5176.3-69.6171.6000112.9H17 A18 R25H17-L21 WeakPolarHBondContact O-CG 3.36Å; H17-L21 PolarHBondContact O-N 2.64Å; H17-L21 VanDerWaalsContact O-N 3.16Å; A18-L21 PolarHBondContact O-N 3.22Å; L21-R25 PolarHBondContact O-N 2.95Å
22C36.3Very low35.4Very low89 Ų89109.6 Ų109.660%0.60160%0.598SS**Hα-helixtrans-73.4-38.2177.2-154.20000112A18 S19 R25 S26A18-C22 WeakPolarHBondContact O-CB 3.37Å; A18-C22 PolarHBondContact O-N 3.22Å; S19-C22 PolarHBondContact O-N 2.79Å; C22-R25 PolarHBondContact O-N 3.47Å; C22-S26 PolarHBondContact O-N 2.89Å; C22-S26 VanDerWaalsContact O-N 3.16Å
23T35.6Very low35.1Very low81 Ų81115.5 Ų115.550%0.49762%0.62SS.*Hα-helixtrans-63.1-42.4174.3-49.30000111.1S19 R25 S26S19-T23 PolarHBondContact O-N 3.28Å; S19-T23 PolarHBondContact O-OG1 3.16Å; T23-R25 VanDerWaalsContact C-N 3.26Å; T23-R25 PolarHBondContact O-N 2.72Å; T23-S26 PolarHBondContact O-N 2.79Å
24L36.8Very low35.1Very low84 Ų84121.8 Ų121.844%0.4464%0.639SS.*Hα-helixtrans-67.9-20.6176.1-75166.4000114.2Y20Y20-L24 HydrophobicContact CD1-CD1 3.72Å; Y20-L24 HydrophobicContact CE1-CD1 3.64Å; Y20-L24 WeakPolarHBondContact O-CG 3.5Å; Y20-L24 PolarHBondContact O-N 3.18Å; Y20-L24 VanDerWaalsContact O-N 3.16Å
25R37.1Very low34.8Very low195 Ų195127.4 Ų127.474%0.73665%0.648SS**Hα-helixtrans-88.8-23177.9-146.4175.3-170.5179.13.6112.4L21 C22 T23 E27L21-R25 PolarHBondContact O-N 2.95Å; C22-R25 PolarHBondContact O-N 3.47Å; T23-R25 VanDerWaalsContact C-N 3.26Å; T23-R25 PolarHBondContact O-N 2.72Å; R25-E27 VanDerWaalsContact C-N 3.35Å
26S32.6Very low34.5Very low106 Ų106130.8 Ų130.874%0.74166%0.663SS**Hα-helixtrans-77.9-16.4174.3-167.80000113.7C22 T23C22-S26 PolarHBondContact O-N 2.89Å; C22-S26 VanDerWaalsContact O-N 3.16Å; T23-S26 PolarHBondContact O-N 2.79Å
27E31Very low34.2Very low148 Ų148134.3 Ų134.369%0.69267%0.67SS**THydrogen-bonded Turntrans-89.67.3177.6-69.8-169.414500114.2R25 P29R25-E27 VanDerWaalsContact C-N 3.35Å; E27-P29 VanDerWaalsContact O-CD 3.31Å; E27-P29 WeakPolarHBondContact O-CD 3.4Å
28R34.3Very low34.1Very low193 Ų193133.2 Ų133.273%0.72866%0.664SS**  trans-105101.7171.5-79.4-165.8-87.7178.5-7.2110.9A30R28-A30 PolarHBondContact O-N 2.76Å
29P28.6Very low33.9Very low128 Ų128139.3 Ų139.383%0.83169%0.69SS**  trans-68.8116.5163.827-28.9000108.4E27E27-P29 VanDerWaalsContact O-CD 3.31Å; E27-P29 WeakPolarHBondContact O-CD 3.4Å
30A33.7Very low34.7Very low101 Ų101139.8 Ų139.884%0.83570%0.703SS**  trans-84.8100.7157.100000107R28R28-A30 PolarHBondContact O-N 2.76Å
31D31.1Very low34.7Very low157 Ų157142 Ų14284%0.8472%0.719SS**  trans-161.1139.4134.3-135.7-14.3000112.3
32N38Very low34.3Very low148 Ų148145.2 Ų145.279%0.79173%0.731SS**  trans-92.6103.8-178.5-173.828.4000108.1
33M28.5Very low34.3Very low166 Ų166148.3 Ų148.382%0.81873%0.73SS**  trans-145.2117.1161.3-89.8-168170.300109.7R35M33-R35 PolarHBondContact O-N 2.86Å
34E35.3Very low34.2Very low192 Ų192151.6 Ų151.690%0.89774%0.743SS**  trans-49.5122.1169.4-76175.6137.200110.5
35R31.8Very low34.1Very low206 Ų206155.3 Ų155.378%0.77776%0.757SS**  trans-117.1104.7166.4-71.9-173.1-173.9-175.42.7108.9M33M33-R35 PolarHBondContact O-N 2.86Å
36E30.9Very low33.8Very low124 Ų124151.4 Ų151.458%0.57976%0.757SS**  trans-63131.7162.5-61.9-170.1158.600109F38 R43E36-F38 HydrophobicContact CB-CD2 4.33Å; E36-F38 HydrophobicContact CB-CE2 3.67Å; E36-F38 HydrophobicContact CB-CZ 4.38Å; E36-F38 WeakPolarHBondContact OE2-CZ 3.46Å; E36-R43 IonicContact OE1-NH2 3.21Å; E36-R43 PolarHBondContact OE1-NH2 2.81Å; E36-R43 IonicContact OE2-CZ 2.84Å; E36-R43 IonicContact OE2-NE 3.91Å; E36-R43 IonicContact OE2-NH2 2.74Å; E36-R43 PolarHBondContact OE2-NH2 2.96Å
37W31.3Very low33.8Very low224 Ų224152.5 Ų152.585%0.84876%0.762SS**  trans-95.1125.5178-67.795.7000110.7
38F33.9Very low33.7Very low109 Ų109155.1 Ų155.148%0.47877%0.771SS.*BIsolated β-bridgetrans-120.1140.7176.3-67.4-92.8000110.6E36 R43E36-F38 HydrophobicContact CB-CD2 4.33Å; E36-F38 HydrophobicContact CB-CE2 3.67Å; E36-F38 HydrophobicContact CB-CZ 4.38Å; E36-F38 WeakPolarHBondContact OE2-CZ 3.46Å; F38-R43 HydrophobicContact CE1-CG 3.86Å; F38-R43 HydrophobicContact CZ-CG 4.33Å
39L31.3Very low33.6Very low167 Ų167151.3 Ų151.387%0.87477%0.774SS**SBendtrans-124.2100.5160.4-12186.4000107.4
40G55.4Low33.6Very low59 Ų59154.6 Ų154.661%0.60878%0.778SS**SBendtrans72.7-152.8-172.500000113.6E42G40-E42 PolarHBondContact O-N 2.79Å
41H34.5Very low33.4Very low206 Ų206158.7 Ų158.795%0.95478%0.78SS**SBendtrans-9641.2-174.6-91.445.4000114.2
42E32.8Very low34Very low166 Ų166156.4 Ų156.478%0.77677%0.774SS**  trans-149.5147.4168.9-123.3177.5170.200113.2G40G40-E42 PolarHBondContact O-N 2.79Å
43R36.6Very low33.4Very low155 Ų155157.1 Ų157.159%0.58578%0.777SS**BIsolated β-bridgetrans-97.2133.6-169.1-122.5179-160.4161.81.5111.3E36 F38E36-R43 IonicContact OE1-NH2 3.21Å; E36-R43 PolarHBondContact OE1-NH2 2.81Å; E36-R43 IonicContact OE2-CZ 2.84Å; E36-R43 IonicContact OE2-NE 3.91Å; E36-R43 IonicContact OE2-NH2 2.74Å; E36-R43 PolarHBondContact OE2-NH2 2.96Å; F38-R43 HydrophobicContact CE1-CG 3.86Å; F38-R43 HydrophobicContact CZ-CG 4.33Å
44I31.8Very low33.3Very low150 Ų150154 Ų15477%0.76977%0.771SS**PPolyproline II helixtrans-103.2121.4176.6-55.4176.4000110.3
45H35Very low32.9Very low161 Ų161149.6 Ų149.675%0.74576%0.762SS**PPolyproline II helixtrans-90.5146169.1-76.5-74.9000111.4
46P32.1Very low32.6Very low113 Ų113145.5 Ų145.573%0.73476%0.763SS**PPolyproline II helixtrans-74.5141.9178.829.9-32.5000111.4
47P31.3Very low32.4Very low129 Ų129145.5 Ų145.584%0.83878%0.777SS**PPolyproline II helixtrans-79.8141.1-177.430.9-31.8000112.3
48K29.1Very low32.3Very low203 Ų203138.3 Ų138.388%0.88377%0.772SS**PPolyproline II helixtrans-77.1148.2175.3-73.2176.8175.9175.50111.8
49S32.8Very low32.1Very low113 Ų113140 Ų14079%0.7979%0.791SS**PPolyproline II helixtrans-57.6135.4172.554.10000114.8
50Q29.5Very low32.1Very low197 Ų197137.7 Ų137.792%0.92179%0.789SS**  trans-144.4140.5153.8-75-169.3-8.400110.9
51Q29.4Very low31.5Very low188 Ų188144.8 Ų144.888%0.87980%0.797SS**  trans-91.3-167.8176.9-54.4-173.8-47.800112
52P43Very low31.6Very low109 Ų109141.1 Ų141.171%0.70879%0.792SS**  -124.6168.9-102.236-15.5000114
53L25.3Very low31.8Very low163 Ų163142.4 Ų142.485%0.85380%0.795SS**  trans-155.1125.8159.3-99.7135.3000112.4
54S26.4Very low32.5Very low100 Ų100142.6 Ų142.670%0.69981%0.807SS**  trans32.6136144.556.90000120
55S26.1Very low33.1Very low100 Ų100141.4 Ų141.470%0.69981%0.807SS**  cis-179.9159.125.642.20000110.8
56C25.1Very low33.7Very low119 Ų119138.1 Ų138.180%0.80480%0.798SS**  trans59.1132.6156.546.50000119.1
57S28.6Very low34.4Very low125 Ų125137.6 Ų137.687%0.87479%0.789SS**  cis-166.5155.527.849.30000111.5
58G28.2Very low35Very low72 Ų72135.7 Ų135.774%0.74278%0.775SS**  trans115103.9147.600000119.8
59V30.7Very low35.9Very low144 Ų144131.6 Ų131.687%0.87376%0.763SS**  trans7899.9152.7-161.50000118.4
60S30.3Very low36.7Very low119 Ų119133.7 Ų133.783%0.83276%0.76SS**  trans-77.2122.2173.8-176.90000112.1
61R42.4Very low37.3Very low208 Ų208130.8 Ų130.879%0.78575%0.748SS**  trans-110138.2154.3-73.4-177170.4-165.4-2.5107.1F63R61-F63 PolarHBondContact O-N 3.14Å
62P37Very low38.1Very low130 Ų130128.4 Ų128.484%0.84474%0.74SS**  trans-68.7106.317627.7-30.6000108.8
63F37.8Very low38.4Very low192 Ų192132.9 Ų132.984%0.84274%0.743SS**  trans-81.3118.1167.4-117.2-93.7000107.9R61 T65R61-F63 PolarHBondContact O-N 3.14Å; F63-T65 PolarHBondContact O-N 2.8Å
64L49.9Very low39.3Very low160 Ų160129 Ų12984%0.83874%0.735SS**  trans-75.9101.3170.9-111.9143.4000107.8V66L64-V66 PolarHBondContact O-N 3Å
65T44.2Very low40.4Very low125 Ų125132.2 Ų132.277%0.76774%0.744SS**  trans-82.2103.4170.1-54.50000108.3F63 N67F63-T65 PolarHBondContact O-N 2.8Å; T65-N67 PolarHBondContact O-N 2.74Å
66V49Very low41.6Very low92 Ų92135.7 Ų135.756%0.55875%0.747SS**  trans-83.8111.5170.3-178.90000108L64 V68 M71L64-V66 PolarHBondContact O-N 3Å; V66-V68 PolarHBondContact O-N 2.9Å; V66-M71 HydrophobicContact CG1-SD 4.21Å
67N45.7Very low42.7Very low101 Ų101136.1 Ų136.154%0.5475%0.748SS.*  trans-80.5101.1173.3-168.5-27.5000109.4T65 N69 E70T65-N67 PolarHBondContact O-N 2.74Å; N67-N69 PolarHBondContact O-N 3.22Å; N67-N69 VanDerWaalsContact O-N 3.15Å; N67-N69 WeakPolarHBondContact OD1-CB 3.35Å; N67-N69 PolarHBondContact OD1-N 2.73Å; N67-E70 PolarHBondContact O-N 2.95Å
68V44.1Very low43.7Very low89 Ų89137.4 Ų137.454%0.53975%0.745SS.*Hα-helixtrans-64.1-19-175.6-168.50000112.4V66 E70 M71V66-V68 PolarHBondContact O-N 2.9Å; V68-E70 VanDerWaalsContact C-N 3.32Å; V68-E70 PolarHBondContact O-N 2.8Å; V68-M71 PolarHBondContact O-N 3.3Å
69N49.6Very low44.6Very low117 Ų117139.9 Ų139.963%0.62675%0.746SS**Hα-helixtrans-74-17.9177.1-93.7-9.3000114.2N67N67-N69 PolarHBondContact O-N 3.22Å; N67-N69 VanDerWaalsContact O-N 3.15Å; N67-N69 WeakPolarHBondContact OD1-CB 3.35Å; N67-N69 PolarHBondContact OD1-N 2.73Å
70E47.7Very low45.6Very low158 Ų158141 Ų14174%0.73875%0.745SS**Hα-helixtrans-83.2-27.4170.6-89.7-165.8148.200112.8N67 V68 L72 R73N67-E70 PolarHBondContact O-N 2.95Å; V68-E70 VanDerWaalsContact C-N 3.32Å; V68-E70 PolarHBondContact O-N 2.8Å; E70-L72 PolarHBondContact O-N 3.49Å; E70-R73 PolarHBondContact O-N 2.89Å
71M43.2Very low46.7Very low135 Ų135146.2 Ų146.267%0.66575%0.747SS**Hα-helixtrans-66.9-25176-87176.953.900113.1V66 V68V66-M71 HydrophobicContact CG1-SD 4.21Å; V68-M71 PolarHBondContact O-N 3.3Å
72L45.4Very low47.1Very low138 Ų138145.4 Ų145.472%0.72375%0.749SS**THydrogen-bonded Turntrans-92.57.7-177.6-65.6172000114.2E70E70-L72 PolarHBondContact O-N 3.49Å
73R49.2Very low47.5Very low203 Ų203145.2 Ų145.277%0.76675%0.748SS**THydrogen-bonded Turntrans-114.37.4177.1-71.8-171.9176.2156.50.8114.8E70 D75E70-R73 PolarHBondContact O-N 2.89Å; R73-D75 VanDerWaalsContact C-N 3.31Å; R73-D75 PolarHBondContact O-N 2.91Å
74A44.2Very low47.9Very low83 Ų83142.1 Ų142.169%0.68674%0.744SS**  trans-77.6-10-176.200000114.8K76A74-K76 PolarHBondContact O-N 3.1Å
75D50.9Low47.9Very low167 Ų167140.4 Ų140.489%0.89374%0.743SS**  trans-97.377173.7-73.6-28.4000111R73R73-D75 VanDerWaalsContact C-N 3.31Å; R73-D75 PolarHBondContact O-N 2.91Å
76K50.2Low47.9Very low172 Ų172142.3 Ų142.375%0.74875%0.747SS**  trans-111.5124155.8-76.3-172.1178.3-177.80109A74 N78A74-K76 PolarHBondContact O-N 3.1Å; K76-N78 PolarHBondContact O-N 3.28Å
77P48.6Very low47.9Very low128 Ų128148.7 Ų148.783%0.83176%0.761SS**SBendtrans-84.160.4-169.835.9-36.8000111.5
78N49.5Very low48.1Very low153 Ų153148.9 Ų148.982%0.81877%0.767SS**  trans-168.282.8166.2-97.7-27.9000111.7K76K76-N78 PolarHBondContact O-N 3.28Å
79T47.3Very low48Very low123 Ų123150.7 Ų150.776%0.75578%0.781SS**  trans-137110.1155.3480000109.8R81T79-R81 PolarHBondContact O-N 3.46Å
80I50.9Low47.7Very low168 Ų168150.2 Ų150.286%0.86279%0.787SS**  trans-67.3111.8172.6-66166.8000107.7
81R55Low47.5Very low229 Ų229148.7 Ų148.786%0.86479%0.79SS**PPolyproline II helixtrans-76.8126.6175.2-67.3-173.3179.9-170.11.2109.7T79T79-R81 PolarHBondContact O-N 3.46Å
82K49.1Very low47.4Very low190 Ų190154 Ų15483%0.82680%0.803SS**PPolyproline II helixtrans-71141.2175.3-69.6-177.2178.8179.60110.6
83P46.3Very low47.2Very low127 Ų127153.2 Ų153.283%0.82580%0.804SS**PPolyproline II helixtrans-70.5135.9178.1-4.217.8000111.1
84V46.6Very low46.7Very low126 Ų126150.1 Ų150.176%0.76481%0.808SS**PPolyproline II helixtrans-92.9126.5174.4-179.70000108.9I86V84-I86 PolarHBondContact O-N 3.43Å
85P50Low46.3Very low124 Ų124157 Ų15781%0.80582%0.816SS**PPolyproline II helixtrans-71.4124.6176.9-12.126.7000110.7
86I43.2Very low45.8Very low166 Ų166155.1 Ų155.185%0.85181%0.812SS**  trans-84.6114.8173.7-56.7174.6000108.1V84V84-I86 PolarHBondContact O-N 3.43Å
87R48.5Very low45.2Very low226 Ų226157.1 Ų157.185%0.85382%0.821SS**PPolyproline II helixtrans-90.7130.6170.6-162.5-176.1-133.6-171.24.2109.3
88P49.8Very low44.3Very low104 Ų104154.7 Ų154.768%0.67582%0.819SS**PPolyproline II helixtrans-69149.4173.226.7-31.3000111.1
89P43.3Very low43.7Very low128 Ų128156.1 Ų156.183%0.83182%0.821SS**PPolyproline II helixtrans-72.9139.1-178.929.3-32.7000111.5
90S42.9Very low43Very low107 Ų107158.2 Ų158.275%0.74883%0.828SS**PPolyproline II helixtrans-67.2147.1177.4-48.90000112.1R92S90-R92 PolarHBondContact O-N 2.92Å
91P43.4Very low42.3Very low125 Ų125154.6 Ų154.681%0.81282%0.817SS**PPolyproline II helixtrans-65.1123.3176.3-14.227.7000110.5V93P91-V93 PolarHBondContact O-N 3.43Å
92R41.8Very low41.2Very low247 Ų247153 Ų15393%0.93282%0.819SS**  trans-77.5109.2179.1-167.6-179.8-95.8-124.21.6109.4S90S90-R92 PolarHBondContact O-N 2.92Å
93V40Very low40.5Very low122 Ų122148.8 Ų148.874%0.73981%0.814SS**  trans-69.3126.9170.9175.70000109.6P91P91-V93 PolarHBondContact O-N 3.43Å
94T39.1Very low40Very low137 Ų137152.1 Ų152.184%0.8482%0.816SS**  trans-81127.8172.2-6.60000110.1
95R36Very low39.9Very low229 Ų229154.3 Ų154.386%0.86482%0.822SS**  trans-141.2155.1164.4-88.6-159.8177.4-153.90.5111.8
96P39.4Very low39.3Very low126 Ų126154 Ų15482%0.81882%0.818SS**  trans-94.6167.9-144.52.417.9000115
97K37.5Very low39.4Very low215 Ų215152.7 Ų152.794%0.93582%0.822SS**  trans-47.4131.5177.5-75.7175.4171.4178.90113.9
98G31.1Very low39.2Very low76 Ų76149.4 Ų149.478%0.78482%0.816SS**  trans-123.2125.4151.600000108.3
99Q37.6Very low38.8Very low184 Ų184150.2 Ų150.286%0.8682%0.822SS**  trans-74.1140.5169.1-69.5172.4-82.800108.3
100D31.6Very low39.2Very low167 Ų167150.2 Ų150.289%0.89382%0.82SS**  trans-161142.5133.6-91.2-27.5000110.5
101S35.3Very low39.3Very low92 Ų92151 Ų15164%0.64382%0.822SS**  trans-113.4127.9-160.743.50000110.3
102H33.8Very low39.7Very low194 Ų194154.1 Ų154.190%0.89882%0.823SS**  trans-148.2121.3151-80-66.9000110.7
103S34.2Very low39.7Very low103 Ų103147.9 Ų147.972%0.7282%0.815SS**  trans-76.7135.8179.467.30000112
104F35.1Very low40.1Very low197 Ų197149.3 Ų149.386%0.86482%0.816SS**  trans-131130.4144.7-75.1-78.7000108.7T106F104-T106 PolarHBondContact O-N 2.87Å
105L45Very low40.5Very low171 Ų171150.1 Ų150.190%0.89581%0.814SS**  trans-67.3118.6-177.8-65.5161.8000109.3
106T36.3Very low41.2Very low117 Ų117150.2 Ų150.272%0.71881%0.814SS**  trans-132.1120.4165.5-59.10000107.3F104 E108F104-T106 PolarHBondContact O-N 2.87Å; T106-E108 PolarHBondContact O-N 2.84Å; T106-E108 VanDerWaalsContact O-N 3.11Å
107C45.6Very low41.6Very low139 Ų139152.1 Ų152.194%0.93981%0.812SS**  trans-79.583.4177.8-62.90000109.6
108E44.4Very low42.4Very low157 Ų157152.9 Ų152.973%0.73481%0.809SS**  trans-147.5128.3165.6-161.6165.8-178.200108.7T106 T110T106-E108 PolarHBondContact O-N 2.84Å; T106-E108 VanDerWaalsContact O-N 3.11Å; E108-T110 PolarHBondContact O-N 3.29Å
109P42.3Very low43Very low122 Ų122154.6 Ų154.679%0.79281%0.809SS**  trans-67.6121.9179.727.2-30.8000109.1
110T51.4Low43.7Very low128 Ų128156.7 Ų156.779%0.78581%0.809SS**  trans-60.6128.4175.825.50000110E108 K112E108-T110 PolarHBondContact O-N 3.29Å; T110-K112 PolarHBondContact O-N 3.38Å
111P43.8Very low44.9Very low123 Ų123154 Ų15480%0.79980%0.803SS**  trans-64.5114.2175.625.1-30.8000107.9
112K52.7Low45.6Very low191 Ų191157.3 Ų157.383%0.8381%0.813SS**  trans-54.1137.3169.7-67.5179.3-178.9174.90107.3T110 I114T110-K112 PolarHBondContact O-N 3.38Å; K112-I114 PolarHBondContact O-N 3.03Å; K112-I114 VanDerWaalsContact O-N 3.08Å
113P42Very low46.6Very low116 Ų116154 Ų15475%0.75381%0.808SS**  trans-54.7126.1171.923.4-31.1000107.2I115P113-I115 VanDerWaalsContact C-N 3.32Å; P113-I115 PolarHBondContact O-N 3.34Å
114I47.9Very low47.4Very low152 Ų152154.5 Ų154.578%0.77981%0.812SS**  trans-50.7108.5165.4-82.8171.6000104.8K112 R116K112-I114 PolarHBondContact O-N 3.03Å; K112-I114 VanDerWaalsContact O-N 3.08Å; I114-R116 HydrophobicContact CG2-CG 4.47Å; I114-R116 PolarHBondContact O-N 2.98Å
115I47.8Very low48Very low153 Ų153148 Ų14879%0.78580%0.8SS**  trans-59.1102.3162.5-64.6173.9000102.4P113 Q117P113-I115 VanDerWaalsContact C-N 3.32Å; P113-I115 PolarHBondContact O-N 3.34Å; I115-Q117 PolarHBondContact O-N 3.33Å
116R51.1Low48.3Very low231 Ų231147 Ų14787%0.87280%0.802SS**  trans-59.891.1164.8-88.6-177.8145.9-173.8-5.8104.8I114 R118I114-R116 HydrophobicContact CG2-CG 4.47Å; I114-R116 PolarHBondContact O-N 2.98Å; R116-R118 PolarHBondContact O-N 2.94Å
117Q47.8Very low48.9Very low166 Ų166149.7 Ų149.778%0.77681%0.806SS**  trans-60101166.7-164.3175.4-13.700104I115 S119I115-Q117 PolarHBondContact O-N 3.33Å; Q117-S119 PolarHBondContact O-N 3.27Å; Q117-S119 VanDerWaalsContact O-N 3.14Å
118R54.7Low49Very low232 Ų232150.4 Ų150.488%0.87580%0.801SS**PPolyproline II helixtrans-48.9126.3173.3-123.9-177.6-173.6-174.61.9105.8R116 R120R116-R118 PolarHBondContact O-N 2.94Å; R118-R120 PolarHBondContact O-N 2.86Å
119S42.7Very low49.1Very low111 Ų111153.1 Ų153.178%0.77681%0.81SS**PPolyproline II helixtrans-49.3121.917237.50000107.3Q117 S121Q117-S119 PolarHBondContact O-N 3.27Å; Q117-S119 VanDerWaalsContact O-N 3.14Å; S119-S121 PolarHBondContact O-N 2.74Å; S119-S121 VanDerWaalsContact O-N 3.08Å
120R52.7Low49.2Very low228 Ų228156.2 Ų156.286%0.8681%0.811SS**PPolyproline II helixtrans-58.2118.6171.2-73.8-177165.2-174.7-3.8105.7R118 L122R118-R120 PolarHBondContact O-N 2.86Å; R120-L122 PolarHBondContact O-N 3.44Å
121S55.6Low49.2Very low111 Ų111160.2 Ų160.278%0.77682%0.818SS**PPolyproline II helixtrans-54.8136.6171.545.90000108.4S119S119-S121 PolarHBondContact O-N 2.74Å; S119-S121 VanDerWaalsContact O-N 3.08Å
122L50.5Low49.5Very low162 Ų162162.5 Ų162.585%0.84882%0.817SS**PPolyproline II helixtrans-55.6141.6177.2-70.1170.6000109.4R120 S124R120-L122 PolarHBondContact O-N 3.44Å; L122-S124 PolarHBondContact O-N 3.04Å
123P54.9Low49.3Very low123 Ų123158.7 Ų158.780%0.79982%0.815SS**PPolyproline II helixtrans-58.2129.7175.8-16.128.6000109.1
124S50.9Low50Low115 Ų115165.9 Ų165.980%0.80483%0.827SS**PPolyproline II helixtrans-60139.1175.4-158.50000109.6L122L122-S124 PolarHBondContact O-N 3.04Å
125G47.5Very low50.5Low59 Ų59161.4 Ų161.461%0.60882%0.819SS**PPolyproline II helixtrans-49143.6-171.800000113.6Q127G125-Q127 PolarHBondContact O-N 2.9Å
126T52.4Low51.1Low151 Ų151161.6 Ų161.693%0.92683%0.826SS**  trans-50.895.3177.141.90000111.8
127Q48.9Very low51.8Low173 Ų173153.9 Ų153.981%0.80882%0.819SS**  trans-103.6112.5163.4-77.5-94-9.700106.9G125 K129G125-Q127 PolarHBondContact O-N 2.9Å; Q127-K129 PolarHBondContact O-N 2.81Å
128N46Very low53Low154 Ų154151.7 Ų151.782%0.82482%0.816SS**  trans-42115.4170-80.3-43.2000109.6K130N128-K130 PolarHBondContact O-N 2.84Å
129K47.2Very low53.8Low214 Ų214148.2 Ų148.293%0.9380%0.804SS**  trans-67.276.8175.4-74.7-176.4177.81750110.1Q127 K131Q127-K129 PolarHBondContact O-N 2.81Å; K129-K131 PolarHBondContact O-N 2.9Å
130K44.3Very low55.5Low187 Ų187150.5 Ų150.581%0.81380%0.8SS**  trans-79.9110.6156.7-84.4-176.9176177.10107N128 Q132N128-K130 PolarHBondContact O-N 2.84Å; K130-Q132 PolarHBondContact O-N 2.93Å
131K51.6Low56.9Low213 Ų213142.4 Ų142.493%0.92678%0.776SS**  trans-51.599.5165.2-80.1175.2173175.30108.4K129K129-K131 PolarHBondContact O-N 2.9Å
132Q49.6Very low58.1Low170 Ų170139.9 Ų139.979%0.79475%0.753SS**  trans-134.4119.2161.7-74.7-155.7-13.200110.4K130K130-Q132 PolarHBondContact O-N 2.93Å
133S49.9Very low59.4Low111 Ų111138 Ų13878%0.77675%0.754SS**  trans35.6124.3159.857.50000119.8G135S133-G135 PolarHBondContact O-N 2.92Å
134R55.3Low60.5Low267 Ų267139 Ų139100%1.00875%0.752SS**  trans-62.169.7163.3-69176.2161.4158.7-5.6112
135G58.3Low61.7Low59 Ų59135.8 Ų135.861%0.60874%0.736SS**  trans-92.7138.9163.100000109.9S133 G137S133-G135 PolarHBondContact O-N 2.92Å; G135-G137 PolarHBondContact O-N 2.8Å
136V62.2Low63.1Low156 Ų156138.1 Ų138.195%0.94573%0.734SS**  trans-69.1110.1167179.20000107
137G65.9Low64.4Low69 Ų69134.9 Ų134.971%0.71171%0.712SS**  trans-107.8136.7176.100000110.6G135G135-G137 PolarHBondContact O-N 2.8Å
138V70.9Confident65.7Low120 Ų120132.3 Ų132.373%0.72770%0.703SS**  trans-88.9126.4168.1-175.90000107.3F140V138-F140 HydrophobicContact CG1-CE2 4.48Å; V138-F140 HydrophobicContact CG1-CZ 4.41Å
139R72.9Confident66.6Low160 Ų160132.3 Ų132.360%0.60470%0.698SS**  trans-108.2137.3171.3115.7-177.2-73.8125.1-2107.8V141 D147R139-V141 HydrophobicContact CG-CG1 3.51Å; R139-D147 IonicContact CZ-OD1 3.64Å; R139-D147 IonicContact CZ-OD2 2.94Å; R139-D147 IonicContact NE-OD1 3.72Å; R139-D147 PolarHBondContact NE-OD1 2.84Å; R139-D147 VanDerWaalsContact NH2-CG 3.26Å; R139-D147 IonicContact NH2-OD1 3.08Å; R139-D147 PolarHBondContact NH2-OD1 2.97Å; R139-D147 IonicContact NH2-OD2 3.69Å; R139-D147 PolarHBondContact NH2-OD2 2.91Å
140F77.4Confident67.7Low159 Ų159128.6 Ų128.670%0.69769%0.688SS**  trans-95.3123.4173.8-62.9-89.8000108.7V138 L148V138-F140 HydrophobicContact CG1-CE2 4.48Å; V138-F140 HydrophobicContact CG1-CZ 4.41Å; F140-L148 HydrophobicContact CB-CD1 3.75Å
141V83.6Confident68.9Low58 Ų58124.3 Ų124.335%0.35268%0.678SS.*BIsolated β-bridgetrans-130.4158.7-179.8-66.40000111R139 L146R139-V141 HydrophobicContact CG-CG1 3.51Å; V141-L146 CarbonylContact C-O 3.51Å; V141-L146 WeakPolarHBondContact CA-O 3.47Å; V141-L146 WeakPolarHBondContact CB-O 3.48Å
142D79.1Confident69.6Low57 Ų57122.4 Ų122.431%0.30567%0.665SS.*  trans-70.6179.8170.275.80.9000112.4L144 G145 L146 L148D142-L144 PolarHBondContact O-N 2.9Å; D142-L144 VanDerWaalsContact O-N 3.11Å; D142-L144 VanDerWaalsContact OD1-C 3.26Å; D142-L144 VanDerWaalsContact OD1-CA 3.27Å; D142-L144 WeakPolarHBondContact OD1-CA 3.36Å; D142-L144 WeakPolarHBondContact OD1-CB 3.41Å; D142-L144 PolarHBondContact OD1-N 2.89Å; D142-G145 PolarHBondContact O-N 3.28Å; D142-G145 PolarHBondContact OD1-N 2.89Å; D142-L146 PolarHBondContact N-O 2.61Å; D142-L146 PolarHBondContact OD1-N 2.84Å; D142-L148 HydrophobicContact CB-CD2 4.08Å
143S79.5Confident70.6Confident124 Ų124120.2 Ų120.287%0.86766%0.662SS**THydrogen-bonded Turntrans-65.4-10.4178.456.70000114.2
144L77.9Confident71.7Confident143 Ų143121.1 Ų121.175%0.74965%0.652SS**THydrogen-bonded Turntrans-102.2-2.6176.2-57.7179.5000112.6D142D142-L144 PolarHBondContact O-N 2.9Å; D142-L144 VanDerWaalsContact O-N 3.11Å; D142-L144 VanDerWaalsContact OD1-C 3.26Å; D142-L144 VanDerWaalsContact OD1-CA 3.27Å; D142-L144 WeakPolarHBondContact OD1-CA 3.36Å; D142-L144 WeakPolarHBondContact OD1-CB 3.41Å; D142-L144 PolarHBondContact OD1-N 2.89Å
145G75.6Confident72.7Confident47 Ų47116 Ų11649%0.48564%0.638SS.*SBendtrans83.816.9178.900000114.5D142D142-G145 PolarHBondContact O-N 3.28Å; D142-G145 PolarHBondContact OD1-N 2.89Å
146L77.1Confident73.1Confident108 Ų108119.8 Ų119.857%0.56565%0.654SS**  trans-91.8148.2175.2-58.7177.8000110.6V141 D142 L148V141-L146 CarbonylContact C-O 3.51Å; V141-L146 WeakPolarHBondContact CA-O 3.47Å; V141-L146 WeakPolarHBondContact CB-O 3.48Å; D142-L146 PolarHBondContact N-O 2.61Å; D142-L146 PolarHBondContact OD1-N 2.84Å; L146-L148 PolarHBondContact O-N 2.72Å
147D79.2Confident73.7Confident84 Ų84116.1 Ų116.145%0.44965%0.649SS.*BIsolated β-bridgetrans-60.4136.9176.9-67.4-32.1000110R139 E149R139-D147 IonicContact CZ-OD1 3.64Å; R139-D147 IonicContact CZ-OD2 2.94Å; R139-D147 IonicContact NE-OD1 3.72Å; R139-D147 PolarHBondContact NE-OD1 2.84Å; R139-D147 VanDerWaalsContact NH2-CG 3.26Å; R139-D147 IonicContact NH2-OD1 3.08Å; R139-D147 PolarHBondContact NH2-OD1 2.97Å; R139-D147 IonicContact NH2-OD2 3.69Å; R139-D147 PolarHBondContact NH2-OD2 2.91Å; D147-E149 PolarHBondContact O-N 2.62Å
148L75.9Confident74.3Confident119 Ų119118.2 Ų118.262%0.62364%0.64SS**SBendtrans-66.1-20.4-175.1-72.3172.5000113.8F140 D142 L146F140-L148 HydrophobicContact CB-CD1 3.75Å; D142-L148 HydrophobicContact CB-CD2 4.08Å; L146-L148 PolarHBondContact O-N 2.72Å
149E65.8Low74.2Confident153 Ų153119.8 Ų119.872%0.71564%0.644SS**  trans-140.6138.7178.560-179.6-172.700111D147 V151D147-E149 PolarHBondContact O-N 2.62Å; E149-V151 HydrophobicContact CB-CG2 4.28Å; E149-V151 HydrophobicContact CG-CG2 4.03Å
150D69.8Low74.1Confident136 Ų136116.1 Ų116.173%0.72764%0.641SS**  trans-108.596.7165.3-17633.7000107.7R152D150-R152 PolarHBondContact O-N 3.4Å
151V70.2Confident74Confident98 Ų98117.5 Ų117.559%0.59465%0.647SS**  trans-88.6106.1-179.1-177.10000109.2E149 V153E149-V151 HydrophobicContact CB-CG2 4.28Å; E149-V151 HydrophobicContact CG-CG2 4.03Å; V151-V153 HydrophobicContact CG1-CG2 4.34Å
152R65.1Low73.6Confident173 Ų173117.4 Ų117.465%0.65365%0.647SS**  trans-96.3112.1173.4-162.6174.4-64.5-142.10.9110D150 F154D150-R152 PolarHBondContact O-N 3.4Å; R152-F154 HydrophobicContact CB-CE2 4.19Å; R152-F154 HydrophobicContact CB-CZ 4.4Å; R152-F154 HydrophobicContact CG-CE1 4.49Å; R152-F154 HydrophobicContact CG-CE2 4.23Å; R152-F154 HydrophobicContact CG-CZ 4.05Å; R152-F154 WeakPolarHBondContact O-CD2 3.41Å
153V70.9Confident73.5Confident123 Ų123117.1 Ų117.175%0.74565%0.648SS**PPolyproline II helixtrans-86.6117.3178.5-176.10000109.2V151V151-V153 HydrophobicContact CG1-CG2 4.34Å
154F72.6Confident72.9Confident130 Ų130117.8 Ų117.857%0.5764%0.637SS**PPolyproline II helixtrans-93.4138.5174.1-62.3-87000110.2R152R152-F154 HydrophobicContact CB-CE2 4.19Å; R152-F154 HydrophobicContact CB-CZ 4.4Å; R152-F154 HydrophobicContact CG-CE1 4.49Å; R152-F154 HydrophobicContact CG-CE2 4.23Å; R152-F154 HydrophobicContact CG-CZ 4.05Å; R152-F154 WeakPolarHBondContact O-CD2 3.41Å
155K77.4Confident72.3Confident161 Ų161116.8 Ų116.870%0.763%0.628SS**PPolyproline II helixtrans-83.4145.1173.3-67.2177.3-178.1172.50110G157 E158K155-G157 PolarHBondContact O-N 3.43Å; K155-E158 HydrophobicContact CB-CB 4.32Å; K155-E158 WeakPolarHBondContact O-CB 3.26Å; K155-E158 PolarHBondContact O-N 2.82Å; K155-E158 VanDerWaalsContact O-N 3.1Å
156S67.4Low72.2Confident137 Ų137117.1 Ų117.196%0.95862%0.621SS**THydrogen-bonded Turntrans-61.5120.2172.3-170.20000109.4
157G74.1Confident72.1Confident80 Ų80114.2 Ų114.283%0.82561%0.608SS**THydrogen-bonded Turntrans95.90.7-176.400000115.7K155K155-G157 PolarHBondContact O-N 3.43Å
158E78Confident71.5Confident113 Ų113116 Ų11653%0.52861%0.612SS.*PPolyproline II helixtrans-89.2117.1170.6-167.9170.6-171.400109.3K155K155-E158 HydrophobicContact CB-CB 4.32Å; K155-E158 WeakPolarHBondContact O-CB 3.26Å; K155-E158 PolarHBondContact O-N 2.82Å; K155-E158 VanDerWaalsContact O-N 3.1Å
159D69.4Low71.2Confident152 Ų152116.5 Ų116.581%0.81361%0.605SS**PPolyproline II helixtrans-66.3126.9178-78.4-25.3000109.7F161D159-F161 PolarHBondContact O-N 2.85Å
160P71.1Confident71.4Confident83 Ų83114.8 Ų114.854%0.53960%0.601SS.*PPolyproline II helixtrans-63.2129178.225.7-32.1000109.2V162P160-V162 VanDerWaalsContact C-N 3.34Å; P160-V162 HydrophobicContact CB-CG2 4.42Å; P160-V162 HydrophobicContact CG-CG2 4.36Å; P160-V162 PolarHBondContact O-N 2.82Å
161F73.9Confident71.3Confident188 Ų188113.3 Ų113.383%0.82559%0.592SS**  trans-69.595.4170.1-178.1-99.8000108.8D159 P163D159-F161 PolarHBondContact O-N 2.85Å; F161-P163 WeakPolarHBondContact O-CD 3.23Å
162V75.4Confident71.1Confident57 Ų57110.8 Ų110.835%0.34557%0.574SS.*  trans-87.2117.6175.1-176.40000107.9P160 V166 T167P160-V162 VanDerWaalsContact C-N 3.34Å; P160-V162 HydrophobicContact CB-CG2 4.42Å; P160-V162 HydrophobicContact CG-CG2 4.36Å; P160-V162 PolarHBondContact O-N 2.82Å; V162-V166 HydrophobicContact CG1-CB 3.63Å; V162-V166 HydrophobicContact CG1-CG1 3.7Å; V162-T167 VanDerWaalsContact CG1-OG1 3.29Å; V162-T167 WeakPolarHBondContact CG1-OG1 3.19Å
163P77.1Confident71Confident50 Ų50103.7 Ų103.733%0.32556%0.555SS.*  trans-57.3142.4175.2-25.735.8000111.3F161 H165 V166 T167F161-P163 WeakPolarHBondContact O-CD 3.23Å; P163-H165 WeakPolarHBondContact CB-CE1 3.39Å; P163-H165 WeakPolarHBondContact CB-ND1 3.22Å; P163-H165 PolarHBondContact O-N 3.44Å; P163-V166 HydrophobicContact CB-CG2 4.4Å; P163-V166 WeakPolarHBondContact O-CA 3.41Å; P163-V166 WeakPolarHBondContact O-CB 3.44Å; P163-V166 PolarHBondContact O-N 2.89Å; P163-T167 PolarHBondContact O-N 2.82Å
164Q66.7Low70.6Confident138 Ų138100.6 Ų100.665%0.64554%0.542SS*.Hα-helixtrans-53-34.7-173.6-162.470.5-5.500114V166 T167 F168Q164-V166 VanDerWaalsContact C-N 3.32Å; Q164-V166 PolarHBondContact O-N 3.2Å; Q164-T167 PolarHBondContact O-N 2.96Å; Q164-F168 VanDerWaalsContact O-CB 3.28Å; Q164-F168 WeakPolarHBondContact O-CB 3.48Å; Q164-F168 PolarHBondContact O-N 3.17Å
165H66.9Low70Confident123 Ų12399.2 Ų99.257%0.56954%0.538SS*.Hα-helixtrans-66.2-32.3177.566.4-95.5000112.8P163 R169P163-H165 WeakPolarHBondContact CB-CE1 3.39Å; P163-H165 WeakPolarHBondContact CB-ND1 3.22Å; P163-H165 PolarHBondContact O-N 3.44Å; H165-R169 WeakPolarHBondContact O-CB 3.28Å; H165-R169 VanDerWaalsContact O-CG 3.25Å; H165-R169 WeakPolarHBondContact O-CG 3.29Å; H165-R169 PolarHBondContact O-N 3.47Å; H165-R169 VanDerWaalsContact O-N 3.08Å
166V73.5Confident69.2Low53 Ų5395.3 Ų95.332%0.32152%0.523SS..Hα-helixtrans-73.3-46.4175.7-179.10000109.7V162 P163 Q164 F168 R169 L170V162-V166 HydrophobicContact CG1-CB 3.63Å; V162-V166 HydrophobicContact CG1-CG1 3.7Å; P163-V166 HydrophobicContact CB-CG2 4.4Å; P163-V166 WeakPolarHBondContact O-CA 3.41Å; P163-V166 WeakPolarHBondContact O-CB 3.44Å; P163-V166 PolarHBondContact O-N 2.89Å; Q164-V166 VanDerWaalsContact C-N 3.32Å; Q164-V166 PolarHBondContact O-N 3.2Å; V166-F168 VanDerWaalsContact C-N 3.31Å; V166-F168 PolarHBondContact O-N 2.85Å; V166-R169 PolarHBondContact O-N 3.01Å; V166-L170 HydrophobicContact CG1-CD1 4.07Å; V166-L170 HydrophobicContact CG1-CG 4.4Å; V166-L170 WeakPolarHBondContact O-CG 3.35Å; V166-L170 PolarHBondContact O-N 3.16Å
167T74.7Confident68.7Low48 Ų4894.5 Ų94.529%0.29451%0.513SS..Hα-helixtrans-58.8-43.9176-50.60000111.5V162 P163 Q164 L170 L171V162-T167 VanDerWaalsContact CG1-OG1 3.29Å; V162-T167 WeakPolarHBondContact CG1-OG1 3.19Å; P163-T167 PolarHBondContact O-N 2.82Å; Q164-T167 PolarHBondContact O-N 2.96Å; T167-L170 PolarHBondContact O-N 2.69Å; T167-L171 HydrophobicContact CG2-CD1 4.05Å; T167-L171 PolarHBondContact O-N 2.83Å
168F66.2Low67.9Low122 Ų12295 Ų9554%0.53550%0.496SS..Hα-helixtrans-60.1-46.6175.3-179.8-96000111.9Q164 V166 L170 L171 M172Q164-F168 VanDerWaalsContact O-CB 3.28Å; Q164-F168 WeakPolarHBondContact O-CB 3.48Å; Q164-F168 PolarHBondContact O-N 3.17Å; V166-F168 VanDerWaalsContact C-N 3.31Å; V166-F168 PolarHBondContact O-N 2.85Å; F168-L170 VanDerWaalsContact C-N 3.34Å; F168-L170 PolarHBondContact O-N 2.94Å; F168-L171 PolarHBondContact O-N 3.37Å; F168-M172 HydrophobicContact CD1-CG 4.17Å; F168-M172 HydrophobicContact CE1-CG 3.78Å; F168-M172 HydrophobicContact CE1-SD 4.5Å; F168-M172 HydrophobicContact CE2-CG 4.26Å; F168-M172 HydrophobicContact CE2-SD 4.42Å; F168-M172 HydrophobicContact CZ-CG 3.83Å; F168-M172 HydrophobicContact CZ-SD 4.02Å; F168-M172 VanDerWaalsContact O-CG 3.27Å; F168-M172 WeakPolarHBondContact O-CG 3.29Å; F168-M172 PolarHBondContact O-N 2.83Å
169R68.4Low66.8Low128 Ų12893 Ų9348%0.48351%0.506SS..Hα-helixtrans-60.9-41.6176.2-77.6-179.871.9171.36.8112.5H165 V166 M172 G173 F341H165-R169 WeakPolarHBondContact O-CB 3.28Å; H165-R169 VanDerWaalsContact O-CG 3.25Å; H165-R169 WeakPolarHBondContact O-CG 3.29Å; H165-R169 PolarHBondContact O-N 3.47Å; H165-R169 VanDerWaalsContact O-N 3.08Å; V166-R169 PolarHBondContact O-N 3.01Å; R169-M172 PolarHBondContact O-N 2.87Å; R169-G173 PolarHBondContact O-N 3.43Å; R169-F341 PolarHBondContact NH1-O 3.29Å; R169-F341 PolarHBondContact NH2-O 3.27Å
170L70.9Confident66.3Low118 Ų11893.9 Ų93.962%0.61850%0.498SS*.Hα-helixtrans-66.6-42178-69.4172.5000111.7V166 T167 F168 G173 A174V166-L170 HydrophobicContact CG1-CD1 4.07Å; V166-L170 HydrophobicContact CG1-CG 4.4Å; V166-L170 WeakPolarHBondContact O-CG 3.35Å; V166-L170 PolarHBondContact O-N 3.16Å; T167-L170 PolarHBondContact O-N 2.69Å; F168-L170 VanDerWaalsContact C-N 3.34Å; F168-L170 PolarHBondContact O-N 2.94Å; L170-G173 PolarHBondContact O-N 2.85Å; L170-A174 WeakPolarHBondContact O-CB 3.24Å; L170-A174 PolarHBondContact O-N 2.8Å
171L68.4Low65.6Low104 Ų10493.3 Ų93.355%0.54549%0.488SS..Hα-helixtrans-61.2-46.7173.7-108.397.6000111.5T167 F168 G173 A174 E175T167-L171 HydrophobicContact CG2-CD1 4.05Å; T167-L171 PolarHBondContact O-N 2.83Å; F168-L171 PolarHBondContact O-N 3.37Å; L171-G173 VanDerWaalsContact C-N 3.32Å; L171-G173 PolarHBondContact O-N 2.83Å; L171-A174 PolarHBondContact O-N 2.85Å; L171-E175 WeakPolarHBondContact O-CG 3.37Å; L171-E175 PolarHBondContact O-N 3.37Å
172M65.1Low64.7Low45 Ų4586 Ų8622%0.22246%0.457CS..Hα-helixtrans-63.3-40.1177.5-66.9-74.675.600111.9F168 R169 E175 M176 L182F168-M172 HydrophobicContact CD1-CG 4.17Å; F168-M172 HydrophobicContact CE1-CG 3.78Å; F168-M172 HydrophobicContact CE1-SD 4.5Å; F168-M172 HydrophobicContact CE2-CG 4.26Å; F168-M172 HydrophobicContact CE2-SD 4.42Å; F168-M172 HydrophobicContact CZ-CG 3.83Å; F168-M172 HydrophobicContact CZ-SD 4.02Å; F168-M172 VanDerWaalsContact O-CG 3.27Å; F168-M172 WeakPolarHBondContact O-CG 3.29Å; F168-M172 PolarHBondContact O-N 2.83Å; R169-M172 PolarHBondContact O-N 2.87Å; M172-E175 HydrophobicContact CE-CB 4.37Å; M172-E175 HydrophobicContact CE-CG 4.18Å; M172-E175 PolarHBondContact O-N 3.5Å; M172-M176 WeakPolarHBondContact O-CE 3.09Å; M172-M176 VanDerWaalsContact O-CG 3.28Å; M172-M176 WeakPolarHBondContact O-CG 3.38Å; M172-M176 PolarHBondContact O-N 3.07Å; M172-L182 HydrophobicContact SD-CD2 4.25Å
173G62.5Low63.9Low25 Ų2588.1 Ų88.126%0.25846%0.463SS..Hα-helixtrans-57.9-46.6172.200000112.7R169 L170 L171 M176 T177R169-G173 PolarHBondContact O-N 3.43Å; L170-G173 PolarHBondContact O-N 2.85Å; L171-G173 VanDerWaalsContact C-N 3.32Å; L171-G173 PolarHBondContact O-N 2.83Å; G173-M176 PolarHBondContact O-N 2.78Å; G173-T177 WeakPolarHBondContact O-CG2 3.44Å; G173-T177 PolarHBondContact O-N 2.77Å; G173-T177 VanDerWaalsContact O-N 3.16Å
174A63.1Low63.3Low57 Ų5789.5 Ų89.547%0.47147%0.467SS..Hα-helixtrans-63.3-44.1178.700000112.4L170 L171 M176 T177L170-A174 WeakPolarHBondContact O-CB 3.24Å; L170-A174 PolarHBondContact O-N 2.8Å; L171-A174 PolarHBondContact O-N 2.85Å; A174-M176 VanDerWaalsContact C-N 3.32Å; A174-M176 PolarHBondContact O-N 2.85Å; A174-T177 PolarHBondContact O-N 2.8Å; A174-T177 VanDerWaalsContact O-N 3.16Å; A174-T177 PolarHBondContact O-OG1 2.81Å
175E60.5Low63.2Low101 Ų10186.5 Ų86.547%0.47246%0.455SS..Hα-helixtrans-62.1-37.8176.3-68.5-69.5149.900112.1L171 M172 T177 D178L171-E175 WeakPolarHBondContact O-CG 3.37Å; L171-E175 PolarHBondContact O-N 3.37Å; M172-E175 HydrophobicContact CE-CB 4.37Å; M172-E175 HydrophobicContact CE-CG 4.18Å; M172-E175 PolarHBondContact O-N 3.5Å; E175-T177 VanDerWaalsContact C-N 3.32Å; E175-T177 PolarHBondContact O-N 3.25Å; E175-D178 PolarHBondContact O-N 2.76Å
176M58.8Low63.2Low79 Ų7982.3 Ų82.339%0.38944%0.437SS..Hα-helixtrans-67-29.9175.5-70.3-176.3-63.300113M172 G173 A174 D178 L182 M338M172-M176 WeakPolarHBondContact O-CE 3.09Å; M172-M176 VanDerWaalsContact O-CG 3.28Å; M172-M176 WeakPolarHBondContact O-CG 3.38Å; M172-M176 PolarHBondContact O-N 3.07Å; G173-M176 PolarHBondContact O-N 2.78Å; A174-M176 VanDerWaalsContact C-N 3.32Å; A174-M176 PolarHBondContact O-N 2.85Å; M176-D178 VanDerWaalsContact C-N 3.34Å; M176-D178 PolarHBondContact O-N 2.58Å; M176-L182 HydrophobicContact CG-CD1 3.99Å; M176-M338 HydrophobicContact SD-CE 4.06Å
177T57.8Low63.2Low121 Ų12183.4 Ų83.474%0.74245%0.445SS*.Hα-helixtrans-74.8-18.9179.557.40000114.3G173 A174 E175 G179G173-T177 WeakPolarHBondContact O-CG2 3.44Å; G173-T177 PolarHBondContact O-N 2.77Å; G173-T177 VanDerWaalsContact O-N 3.16Å; A174-T177 PolarHBondContact O-N 2.8Å; A174-T177 VanDerWaalsContact O-N 3.16Å; A174-T177 PolarHBondContact O-OG1 2.81Å; E175-T177 VanDerWaalsContact C-N 3.32Å; E175-T177 PolarHBondContact O-N 3.25Å; T177-G179 PolarHBondContact O-N 2.76Å
178D57.7Low63.5Low89 Ų8983.6 Ų83.648%0.47644%0.441SS..THydrogen-bonded Turntrans-80.23.8177.8-158.327.3000112.8E175 M176 R180E175-D178 PolarHBondContact O-N 2.76Å; M176-D178 VanDerWaalsContact C-N 3.34Å; M176-D178 PolarHBondContact O-N 2.58Å; D178-R180 HydrophobicContact CB-CG 4.34Å; D178-R180 PolarHBondContact O-N 3.41Å; D178-R180 IonicContact OD2-CZ 2.76Å; D178-R180 IonicContact OD2-NE 3.14Å; D178-R180 PolarHBondContact OD2-NE 3.28Å; D178-R180 IonicContact OD2-NH2 3.37Å; D178-R180 PolarHBondContact OD2-NH2 3.28Å
179G55.3Low64.6Low71 Ų7178.4 Ų78.473%0.73242%0.419SS*.THydrogen-bonded Turntrans62.88.6179.700000114.1T177T177-G179 PolarHBondContact O-N 2.76Å
180R57.4Low65.5Low171 Ų17177.2 Ų77.265%0.64542%0.417SS*.  trans-80.9122.9173.1-60.1-170.1-163.1-170.110.2107.5D178 L182D178-R180 HydrophobicContact CB-CG 4.34Å; D178-R180 PolarHBondContact O-N 3.41Å; D178-R180 IonicContact OD2-CZ 2.76Å; D178-R180 IonicContact OD2-NE 3.14Å; D178-R180 PolarHBondContact OD2-NE 3.28Å; D178-R180 IonicContact OD2-NH2 3.37Å; D178-R180 PolarHBondContact OD2-NH2 3.28Å; R180-L182 PolarHBondContact O-N 2.96Å
181H56.8Low66.6Low72 Ų7273 Ų7333%0.33340%0.396SS..  trans-55.1132.1171.2-167.764.9000109.6E183 A329 V330 E335H181-E183 PolarHBondContact O-N 3Å; H181-A329 VanDerWaalsContact CD2-CA 3.5Å; H181-A329 WeakPolarHBondContact CD2-CA 3.46Å; H181-A329 VanDerWaalsContact NE2-C 3.26Å; H181-A329 WeakPolarHBondContact NE2-CA 3.14Å; H181-A329 WeakPolarHBondContact NE2-CB 3.46Å; H181-V330 PolarHBondContact CE1-O 2.86Å; H181-V330 PolarHBondContact NE2-N 2.92Å; H181-V330 VanDerWaalsContact NE2-N 3.19Å; H181-V330 PolarHBondContact NE2-O 2.72Å; H181-E335 IonicContact CE1-OE1 2.95Å; H181-E335 IonicContact ND1-OE1 2.68Å; H181-E335 PolarHBondContact ND1-OE1 3.38Å; H181-E335 VanDerWaalsContact ND1-OE1 3.08Å
182L55.8Low67.7Low34 Ų3472.1 Ų72.118%0.17840%0.395CS..  trans-59111.8176.8-112.279.1000108.4M172 M176 R180 V330 M338M172-L182 HydrophobicContact SD-CD2 4.25Å; M176-L182 HydrophobicContact CG-CD1 3.99Å; R180-L182 PolarHBondContact O-N 2.96Å; L182-V330 HydrophobicContact CB-CB 4.08Å; L182-V330 HydrophobicContact CB-CG2 3.75Å; L182-V330 WeakPolarHBondContact O-CG2 3.24Å; L182-V330 PolarHBondContact O-N 3.01Å; L182-M338 HydrophobicContact CD2-CE 4.3Å
183E59.2Low68.9Low101 Ų10172.4 Ų72.447%0.47240%0.395SS..EExtended strand (participates in β ladder)trans-94.5106.3172.6-68.6-168.8168.600109H181 N185 K327H181-E183 PolarHBondContact O-N 3Å; E183-N185 PolarHBondContact O-N 2.83Å; E183-N185 PolarHBondContact O-ND2 2.84Å; E183-K327 IonicContact OE1-NZ 3.41Å; E183-K327 PolarHBondContact OE1-NZ 2.86Å; E183-K327 IonicContact OE2-NZ 3.58Å; E183-K327 PolarHBondContact OE2-NZ 3.05Å
184I63.8Low70Confident80 Ų8076.8 Ų76.841%0.4143%0.43SS..EExtended strand (participates in β ladder)trans-78.7117.8169.4-55.8173.7000107.2L186 L328 V330I184-L186 HydrophobicContact CG2-CD2 4.1Å; I184-L186 HydrophobicContact CG2-CG 4.02Å; I184-L328 HydrophobicContact CB-CB 4.27Å; I184-L328 PolarHBondContact N-O 2.85Å; I184-L328 PolarHBondContact O-N 2.81Å; I184-V330 HydrophobicContact CD1-CG2 3.69Å; I184-V330 HydrophobicContact CG1-CG2 3.8Å
185N63.4Low71.4Confident74 Ų7478.6 Ų78.640%0.39643%0.428SS..EExtended strand (participates in β ladder)trans-94.9107.7175-78-90.5000109.3E183 P187 N325 Y326E183-N185 PolarHBondContact O-N 2.83Å; E183-N185 PolarHBondContact O-ND2 2.84Å; N185-P187 WeakPolarHBondContact O-CD 3.29Å; N185-N325 HydrophobicContact CB-CB 4.48Å; N185-N325 PolarHBondContact OD1-ND2 2.78Å; N185-Y326 WeakPolarHBondContact CA-O 3.35Å
186L67.9Low73Confident35 Ų3575.8 Ų75.818%0.18342%0.415CS..EExtended strand (participates in β ladder)trans-102.2107.2175.2-66.7174.5000109.8M15 I184 Y188 N325 Y326 L328M15-L186 HydrophobicContact CG-CD2 3.69Å; M15-L186 HydrophobicContact SD-CD2 3.72Å; I184-L186 HydrophobicContact CG2-CD2 4.1Å; I184-L186 HydrophobicContact CG2-CG 4.02Å; L186-Y188 PolarHBondContact O-N 2.79Å; L186-N325 WeakPolarHBondContact O-CA 3.33Å; L186-Y326 PolarHBondContact N-O 2.85Å; L186-Y326 PolarHBondContact O-N 2.74Å; L186-L328 HydrophobicContact CD1-CD1 3.53Å; L186-L328 HydrophobicContact CD1-CG 4.37Å; L186-L328 HydrophobicContact CG-CD1 4.47Å
187P74Confident74.7Confident76 Ų7672.5 Ų72.549%0.49440%0.399SS..EExtended strand (participates in β ladder)trans-69.813117628.5-32.5000110N185 Q324 N325N185-P187 WeakPolarHBondContact O-CD 3.29Å; P187-Q324 CarbonylContact C-O 3.45Å; P187-Q324 WeakPolarHBondContact CA-O 3.46Å; P187-N325 WeakPolarHBondContact CA-OD1 3.25Å
188Y80.5Confident76.3Confident53 Ų5367.5 Ų67.521%0.20837%0.372CS..EExtended strand (participates in β ladder)trans-137.8152173.170.7-75.6000109.8L186 K190 C323 Q324 Y326L186-Y188 PolarHBondContact O-N 2.79Å; Y188-K190 HydrophobicContact CD2-CB 4.35Å; Y188-K190 HydrophobicContact CE2-CB 3.88Å; Y188-K190 HydrophobicContact CE2-CD 4.47Å; Y188-K190 HydrophobicContact CE2-CG 4.44Å; Y188-C323 CarbonylContact O-C 3.55Å; Y188-C323 WeakPolarHBondContact O-CA 3.31Å; Y188-Q324 HydrophobicContact CD1-CB 4.23Å; Y188-Q324 WeakPolarHBondContact CD1-O 3.5Å; Y188-Q324 HydrophobicContact CE1-CB 3.57Å; Y188-Q324 HydrophobicContact CE2-CB 4.29Å; Y188-Q324 PolarHBondContact N-O 3.47Å; Y188-Q324 PolarHBondContact O-N 3.26Å; Y188-Q324 PolarHBondContact OH-OE1 3.34Å; Y188-Y326 AromaticContact CD1-CD2 3.04Å; Y188-Y326 HydrophobicContact CD1-CD2 3.04Å; Y188-Y326 AromaticContact CD1-CE2 3.22Å; Y188-Y326 HydrophobicContact CD1-CE2 3.22Å; Y188-Y326 AromaticContact CD1-CG 3.85Å; Y188-Y326 HydrophobicContact CD1-CG 3.85Å; Y188-Y326 HydrophobicContact CD2-CD2 4.29Å; Y188-Y326 AromaticContact CD2-CE2 3.6Å; Y188-Y326 HydrophobicContact CD2-CE2 3.6Å; Y188-Y326 AromaticContact CE1-CD1 3.93Å; Y188-Y326 HydrophobicContact CE1-CD1 3.93Å; Y188-Y326 AromaticContact CE1-CD2 3.04Å; Y188-Y326 HydrophobicContact CE1-CD2 3.04Å; Y188-Y326 AromaticContact CE1-CE1 3.93Å; Y188-Y326 HydrophobicContact CE1-CE1 3.93Å; Y188-Y326 AromaticContact CE1-CE2 3.06Å; Y188-Y326 HydrophobicContact CE1-CE2 3.06Å; Y188-Y326 AromaticContact CE1-CG 3.48Å; Y188-Y326 HydrophobicContact CE1-CG 3.48Å; Y188-Y326 VanDerWaalsContact CE1-CG 3.48Å; Y188-Y326 AromaticContact CE1-CZ 3.51Å; Y188-Y326 HydrophobicContact CE2-CD2 4.28Å; Y188-Y326 AromaticContact CE2-CE2 3.44Å; Y188-Y326 HydrophobicContact CE2-CE2 3.44Å; Y188-Y326 VanDerWaalsContact CE2-CE2 3.44Å; Y188-Y326 AromaticContact CE2-CZ 3.62Å; Y188-Y326 WeakPolarHBondContact CE2-OH 3.42Å; Y188-Y326 AromaticContact CG-CD2 3.71Å; Y188-Y326 HydrophobicContact CG-CD2 3.71Å; Y188-Y326 AromaticContact CG-CE2 3.49Å; Y188-Y326 HydrophobicContact CG-CE2 3.49Å; Y188-Y326 VanDerWaalsContact CG-CE2 3.49Å; Y188-Y326 AromaticContact CZ-CD2 3.7Å; Y188-Y326 AromaticContact CZ-CE1 3.8Å; Y188-Y326 AromaticContact CZ-CE2 3.16Å; Y188-Y326 AromaticContact CZ-CZ 3.19Å; Y188-Y326 VanDerWaalsContact OH-CZ 3.31Å; Y188-Y326 PolarHBondContact OH-OH 2.84Å
189L88.1Confident78Confident13 Ų1367 Ų677%0.06837%0.369CS..EExtended strand (participates in β ladder)trans-90.7131.1173.8-72.4170.3000109.7C219 I224 V287 L291 L321 C323L189-C219 WeakPolarHBondContact O-CB 3.2Å; L189-I224 HydrophobicContact CD1-CD1 3.53Å; L189-I224 HydrophobicContact CD1-CG1 3.84Å; L189-V287 HydrophobicContact CD1-CG1 4.18Å; L189-V287 HydrophobicContact CD1-CG2 3.95Å; L189-L291 HydrophobicContact CD1-CD1 4.08Å; L189-L291 HydrophobicContact CD2-CD1 4.3Å; L189-L291 HydrophobicContact CG-CD1 4.27Å; L189-L321 HydrophobicContact CB-CB 4.43Å; L189-L321 HydrophobicContact CD2-CB 4.41Å; L189-C323 HydrophobicContact CD2-CB 3.9Å
190K89.3Confident79.8Confident102 Ų10266.9 Ų66.944%0.44335%0.35SS..EExtended strand (participates in β ladder)trans-117.9131.2176.3-171.7-179.4176.3178.50109.9Y188 L321 V322Y188-K190 HydrophobicContact CD2-CB 4.35Å; Y188-K190 HydrophobicContact CE2-CB 3.88Å; Y188-K190 HydrophobicContact CE2-CD 4.47Å; Y188-K190 HydrophobicContact CE2-CG 4.44Å; K190-L321 CarbonylContact O-C 3.59Å; K190-L321 WeakPolarHBondContact O-CA 3.49Å; K190-V322 PolarHBondContact N-O 3.17Å; K190-V322 PolarHBondContact O-N 3.43Å
191P92.3Very high81.3Confident29 Ų2963.9 Ų63.919%0.18835%0.352CS..EExtended strand (participates in β ladder)trans-64.3141.7172.7-15.727.2000113.5F193 L321P191-F193 VanDerWaalsContact C-N 3.34Å; P191-F193 HydrophobicContact CB-CD1 3.91Å; P191-F193 HydrophobicContact CB-CD2 4.06Å; P191-F193 HydrophobicContact CB-CE1 3.42Å; P191-F193 VanDerWaalsContact CB-CE1 3.42Å; P191-F193 HydrophobicContact CB-CE2 3.56Å; P191-F193 HydrophobicContact CB-CG 4.23Å; P191-F193 HydrophobicContact CB-CZ 3.24Å; P191-F193 HydrophobicContact CG-CE1 4.43Å; P191-F193 HydrophobicContact CG-CE2 4.2Å; P191-F193 HydrophobicContact CG-CZ 3.88Å; P191-F193 PolarHBondContact O-N 2.8Å; P191-L321 VanDerWaalsContact CA-CD2 3.45Å; P191-L321 HydrophobicContact CB-CD2 3.61Å; P191-L321 HydrophobicContact CG-CD2 3.81Å
192V92.1Very high82.8Confident86 Ų8665.6 Ų65.652%0.52136%0.36SS..SBendtrans-9957.8178.2-166.60000109.7K320 V322V192-K320 HydrophobicContact CB-CB 4.02Å; V192-K320 HydrophobicContact CG2-CB 4.09Å; V192-K320 PolarHBondContact N-O 3.34Å; V192-V322 HydrophobicContact CG2-CB 4.04Å; V192-V322 HydrophobicContact CG2-CG2 3.43Å; V192-V322 VanDerWaalsContact CG2-CG2 3.43Å
193F90.3Very high84.6Confident51 Ų5164.2 Ų64.222%0.22435%0.353CS..SBendtrans-143.6145.1168.943.4-108.1000109P191 Q195 Q196 V217P191-F193 VanDerWaalsContact C-N 3.34Å; P191-F193 HydrophobicContact CB-CD1 3.91Å; P191-F193 HydrophobicContact CB-CD2 4.06Å; P191-F193 HydrophobicContact CB-CE1 3.42Å; P191-F193 VanDerWaalsContact CB-CE1 3.42Å; P191-F193 HydrophobicContact CB-CE2 3.56Å; P191-F193 HydrophobicContact CB-CG 4.23Å; P191-F193 HydrophobicContact CB-CZ 3.24Å; P191-F193 HydrophobicContact CG-CE1 4.43Å; P191-F193 HydrophobicContact CG-CE2 4.2Å; P191-F193 HydrophobicContact CG-CZ 3.88Å; P191-F193 PolarHBondContact O-N 2.8Å; F193-Q195 VanDerWaalsContact C-N 3.31Å; F193-Q195 WeakPolarHBondContact CD2-O 3.17Å; F193-Q195 PolarHBondContact O-N 2.96Å; F193-Q196 HydrophobicContact CE2-CG 4.44Å; F193-V217 HydrophobicContact CE1-CG2 4.25Å; F193-V217 HydrophobicContact CZ-CB 4.13Å; F193-V217 HydrophobicContact CZ-CG2 4.03Å
194A86.4Confident86.2Confident118 Ų11861.7 Ų61.798%0.97534%0.343SS*.SBendtrans-68.8-32.4-174.500000112.6
195Q91.9Very high87.5Confident94 Ų9462.7 Ų62.744%0.43935%0.346SS..SBendtrans-143.7153.6-179.9175.3-177.832.600108.8F193 D199F193-Q195 VanDerWaalsContact C-N 3.31Å; F193-Q195 WeakPolarHBondContact CD2-O 3.17Å; F193-Q195 PolarHBondContact O-N 2.96Å; Q195-D199 HydrophobicContact CG-CB 3.8Å; Q195-D199 PolarHBondContact NE2-O 3.25Å; Q195-D199 VanDerWaalsContact NE2-O 3.16Å
196Q94.5Very high88.9Confident43 Ų4361 Ų6120%0.20133%0.334CS..  trans-60141.3179.1-64-74.1-23.400110.6F193 G198 D199 R216 V217F193-Q196 HydrophobicContact CE2-CG 4.44Å; Q196-G198 PolarHBondContact O-N 3.42Å; Q196-D199 WeakPolarHBondContact CB-OD2 3.44Å; Q196-D199 PolarHBondContact O-N 2.71Å; Q196-R216 HydrophobicContact CB-CG 3.93Å; Q196-R216 HydrophobicContact CG-CG 3.96Å; Q196-V217 PolarHBondContact NE2-O 3Å
197P93.3Very high90.1Very high9 Ų959.3 Ų59.36%0.05833%0.325CS..G310 helixtrans-56.8-32.3-177.3-31.239.1000115D199 Q200 F203 R206 L214 Y319P197-D199 VanDerWaalsContact C-N 3.33Å; P197-Q200 WeakPolarHBondContact O-CB 3.3Å; P197-Q200 WeakPolarHBondContact O-CG 3.23Å; P197-F203 VanDerWaalsContact O-CD2 3.23Å; P197-F203 WeakPolarHBondContact O-CD2 3.37Å; P197-R206 PolarHBondContact O-NH2 2.92Å; P197-L214 HydrophobicContact CB-CB 4.48Å; P197-L214 WeakPolarHBondContact CB-O 3.2Å; P197-L214 HydrophobicContact CG-CB 4.48Å; P197-L214 HydrophobicContact CG-CD2 4.14Å; P197-L214 HydrophobicContact CG-CG 4.32Å; P197-Y319 HydrophobicContact CB-CE1 4.39Å; P197-Y319 HydrophobicContact CG-CD1 4.41Å; P197-Y319 HydrophobicContact CG-CE1 3.69Å
198G92.5Very high91Very high16 Ų1658.5 Ų58.517%0.16531%0.314CS..G310 helixtrans-73.8-18.5177.300000115.1Q196 E215Q196-G198 PolarHBondContact O-N 3.42Å; G198-E215 WeakPolarHBondContact CA-O 3.03Å; G198-E215 PolarHBondContact N-O 3.36Å
199D93.8Very high91.6Very high78 Ų7861.5 Ų61.542%0.41733%0.33SS..G310 helixtrans-95.31.7179.2-51.5-23.2000111.5Q195 Q196 P197 R216Q195-D199 HydrophobicContact CG-CB 3.8Å; Q195-D199 PolarHBondContact NE2-O 3.25Å; Q195-D199 VanDerWaalsContact NE2-O 3.16Å; Q196-D199 WeakPolarHBondContact CB-OD2 3.44Å; Q196-D199 PolarHBondContact O-N 2.71Å; P197-D199 VanDerWaalsContact C-N 3.33Å; D199-R216 IonicContact OD1-NH1 2.69Å; D199-R216 PolarHBondContact OD1-NH1 3.48Å
200Q92.3Very high91.9Very high69 Ų6963.1 Ų63.132%0.32234%0.338SS..SBendtrans-70.5140.8172.8-65.2-57.4-54.200110.2P197 E202 F203P197-Q200 WeakPolarHBondContact O-CB 3.3Å; P197-Q200 WeakPolarHBondContact O-CG 3.23Å; Q200-E202 VanDerWaalsContact C-N 3.26Å; Q200-E202 PolarHBondContact O-N 3.4Å; Q200-F203 WeakPolarHBondContact O-CB 3.34Å; Q200-F203 PolarHBondContact O-N 2.93Å; Q200-F203 VanDerWaalsContact O-N 3.1Å
201P88.7Confident92.2Very high108 Ų10860.3 Ų60.370%0.70133%0.325SS*.THydrogen-bonded Turntrans-60.3-37-179.523.5-32.7000112.4F203P201-F203 PolarHBondContact O-N 3.13Å
202E89.7Confident92.4Very high108 Ų10859 Ų5951%0.50532%0.316SS..THydrogen-bonded Turntrans-84.211.2-179.4-53.7-52.9148.700113.8Q200 L204 Q205 R206Q200-E202 VanDerWaalsContact C-N 3.26Å; Q200-E202 PolarHBondContact O-N 3.4Å; E202-L204 PolarHBondContact O-N 3.23Å; E202-Q205 PolarHBondContact O-N 3.3Å; E202-Q205 PolarHBondContact OE2-OE1 3.36Å; E202-R206 WeakPolarHBondContact O-CB 3.47Å; E202-R206 PolarHBondContact O-N 3.37Å
203F92.6Very high92.6Very high6 Ų654.9 Ų54.93%0.02629%0.292CS..Hα-helixtrans-61.5-43.7-175.1173.6-101.3000112.6P197 Q200 P201 R206 L207 C213 L214 E215 Q229P197-F203 VanDerWaalsContact O-CD2 3.23Å; P197-F203 WeakPolarHBondContact O-CD2 3.37Å; Q200-F203 WeakPolarHBondContact O-CB 3.34Å; Q200-F203 PolarHBondContact O-N 2.93Å; Q200-F203 VanDerWaalsContact O-N 3.1Å; P201-F203 PolarHBondContact O-N 3.13Å; F203-R206 PolarHBondContact O-N 3.43Å; F203-L207 HydrophobicContact CE1-CD2 4.12Å; F203-L207 HydrophobicContact CZ-CD2 4.29Å; F203-L207 VanDerWaalsContact O-CB 3.29Å; F203-L207 WeakPolarHBondContact O-CB 3.42Å; F203-L207 PolarHBondContact O-N 3.49Å; F203-C213 HydrophobicContact CD2-CB 4.28Å; F203-C213 HydrophobicContact CE2-CB 3.58Å; F203-C213 HydrophobicContact CZ-CB 4.19Å; F203-L214 VanDerWaalsContact CE2-O 3.32Å; F203-L214 WeakPolarHBondContact CE2-O 3.23Å; F203-E215 HydrophobicContact CE2-CB 4.46Å; F203-E215 HydrophobicContact CZ-CB 4.15Å; F203-E215 HydrophobicContact CZ-CG 4.39Å; F203-Q229 HydrophobicContact CZ-CB 4.28Å; F203-Q229 HydrophobicContact CZ-CG 4.44Å
204L92.3Very high93Very high48 Ų4852.4 Ų52.425%0.25128%0.281SS..Hα-helixtrans-68.5-41.2-178.3-62.5-177000112E202 L207 H208 K264 C266 F276E202-L204 PolarHBondContact O-N 3.23Å; L204-L207 PolarHBondContact O-N 2.88Å; L204-H208 WeakPolarHBondContact O-CB 3.04Å; L204-H208 PolarHBondContact O-N 2.95Å; L204-K264 HydrophobicContact CD2-CB 4.49Å; L204-K264 HydrophobicContact CD2-CD 3.5Å; L204-K264 VanDerWaalsContact CD2-CD 3.5Å; L204-C266 HydrophobicContact CB-CB 4.36Å; L204-F276 HydrophobicContact CB-CZ 4.43Å; L204-F276 HydrophobicContact CD2-CZ 4.48Å
205Q91.4Very high93.4Very high101 Ų10147.8 Ų47.847%0.47224%0.239SC..Hα-helixtrans-61.3-49.1174.8-179.6173.9-100110.4E202 L207 H208 E209E202-Q205 PolarHBondContact O-N 3.3Å; E202-Q205 PolarHBondContact OE2-OE1 3.36Å; Q205-L207 VanDerWaalsContact C-N 3.35Å; Q205-L207 PolarHBondContact O-N 3.15Å; Q205-H208 WeakPolarHBondContact O-CB 3.31Å; Q205-H208 PolarHBondContact O-N 2.76Å; Q205-H208 VanDerWaalsContact O-N 3.15Å; Q205-E209 HydrophobicContact CG-CG 4.49Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.32Å; Q205-E209 PolarHBondContact NE2-OE1 2.96Å; Q205-E209 WeakPolarHBondContact O-CG 3.17Å; Q205-E209 PolarHBondContact O-N 2.68Å
206R93Very high93.6Very high38 Ų3847 Ų4714%0.14323%0.232CC..Hα-helixtrans-60.8-42.9178.4-167.5178.368.7-114.21.9112.1P197 E202 F203 H208 E209 Q210 C213P197-R206 PolarHBondContact O-NH2 2.92Å; E202-R206 WeakPolarHBondContact O-CB 3.47Å; E202-R206 PolarHBondContact O-N 3.37Å; F203-R206 PolarHBondContact O-N 3.43Å; R206-H208 VanDerWaalsContact C-N 3.32Å; R206-H208 PolarHBondContact O-N 3.01Å; R206-E209 PolarHBondContact O-N 3.37Å; R206-Q210 VanDerWaalsContact CG-CD 3.43Å; R206-Q210 HydrophobicContact CG-CG 4.05Å; R206-Q210 VanDerWaalsContact CG-OE1 3.31Å; R206-Q210 VanDerWaalsContact O-CB 3.29Å; R206-Q210 WeakPolarHBondContact O-CB 3.32Å; R206-Q210 PolarHBondContact O-N 3.02Å; R206-C213 PolarHBondContact NE-SG 2.99Å
207L94.2Very high93.7Very high0 Ų045.1 Ų45.10%022%0.223CC..Hα-helixtrans-62.2-41176.1175.660.7000111.5F203 L204 Q205 K211 C213 Q229 F276 C278F203-L207 HydrophobicContact CE1-CD2 4.12Å; F203-L207 HydrophobicContact CZ-CD2 4.29Å; F203-L207 VanDerWaalsContact O-CB 3.29Å; F203-L207 WeakPolarHBondContact O-CB 3.42Å; F203-L207 PolarHBondContact O-N 3.49Å; L204-L207 PolarHBondContact O-N 2.88Å; Q205-L207 VanDerWaalsContact C-N 3.35Å; Q205-L207 PolarHBondContact O-N 3.15Å; L207-K211 WeakPolarHBondContact O-CA 2.95Å; L207-K211 PolarHBondContact O-N 2.94Å; L207-C213 HydrophobicContact CB-CB 4.24Å; L207-C213 HydrophobicContact CD1-CB 4.08Å; L207-Q229 HydrophobicContact CD1-CB 4.07Å; L207-Q229 VanDerWaalsContact CD1-O 3.29Å; L207-Q229 WeakPolarHBondContact CD1-O 3.25Å; L207-Q229 HydrophobicContact CD2-CB 3.83Å; L207-F276 HydrophobicContact CD2-CE2 4.29Å; L207-C278 HydrophobicContact CD2-CB 4.48Å
208H92.2Very high93.6Very high58 Ų5847.9 Ų47.927%0.26924%0.238SC..Hα-helixtrans-66-41.3177-176.4-102.8000111.8L204 Q205 R206 K211 F276L204-H208 WeakPolarHBondContact O-CB 3.04Å; L204-H208 PolarHBondContact O-N 2.95Å; Q205-H208 WeakPolarHBondContact O-CB 3.31Å; Q205-H208 PolarHBondContact O-N 2.76Å; Q205-H208 VanDerWaalsContact O-N 3.15Å; R206-H208 VanDerWaalsContact C-N 3.32Å; R206-H208 PolarHBondContact O-N 3.01Å; H208-K211 WeakPolarHBondContact O-CD 3.4Å; H208-K211 VanDerWaalsContact O-CE 3.31Å; H208-K211 WeakPolarHBondContact O-CE 3.32Å; H208-K211 PolarHBondContact O-NZ 3.18Å; H208-F276 HydrophobicContact CB-CZ 4.48Å
209E92.3Very high93.5Very high117 Ų11749 Ų4955%0.54724%0.243SC..Hα-helixtrans-72.7-51.6179.3-71173.9-172.400112.4Q205 R206Q205-E209 HydrophobicContact CG-CG 4.49Å; Q205-E209 WeakPolarHBondContact CG-OE1 3.32Å; Q205-E209 PolarHBondContact NE2-OE1 2.96Å; Q205-E209 WeakPolarHBondContact O-CG 3.17Å; Q205-E209 PolarHBondContact O-N 2.68Å; R206-E209 PolarHBondContact O-N 3.37Å
210Q94Very high92.8Very high47 Ų4750.9 Ų50.922%0.2225%0.247CC..Hα-helixtrans-85.2-10.9-173.4-61.6-177.4-13.800113.5R206 V212 D315R206-Q210 VanDerWaalsContact CG-CD 3.43Å; R206-Q210 HydrophobicContact CG-CG 4.05Å; R206-Q210 VanDerWaalsContact CG-OE1 3.31Å; R206-Q210 VanDerWaalsContact O-CB 3.29Å; R206-Q210 WeakPolarHBondContact O-CB 3.32Å; R206-Q210 PolarHBondContact O-N 3.02Å; Q210-V212 PolarHBondContact O-N 3.46Å; Q210-D315 PolarHBondContact NE2-OD1 2.84Å
211K95.8Very high91.8Very high43 Ų4353.3 Ų53.319%0.18726%0.259CS..SBendtrans64.8-12.9-178.8-44.3-58174.9-168.40115.5L207 H208 V230 L231 Y303 Y310L207-K211 WeakPolarHBondContact O-CA 2.95Å; L207-K211 PolarHBondContact O-N 2.94Å; H208-K211 WeakPolarHBondContact O-CD 3.4Å; H208-K211 VanDerWaalsContact O-CE 3.31Å; H208-K211 WeakPolarHBondContact O-CE 3.32Å; H208-K211 PolarHBondContact O-NZ 3.18Å; K211-V230 CarbonylContact O-C 3.59Å; K211-V230 VanDerWaalsContact O-CA 3.28Å; K211-V230 WeakPolarHBondContact O-CA 3.23Å; K211-L231 HydrophobicContact CB-CB 4.31Å; K211-L231 HydrophobicContact CD-CB 4.26Å; K211-L231 HydrophobicContact CD-CD2 3.53Å; K211-L231 PolarHBondContact O-N 3.28Å; K211-Y303 HydrophobicContact CB-CD1 4.29Å; K211-Y303 HydrophobicContact CB-CE1 4.35Å; K211-Y310 HydrophobicContact CB-CD1 3.9Å; K211-Y310 HydrophobicContact CB-CD2 4.09Å; K211-Y310 HydrophobicContact CB-CE1 4.25Å; K211-Y310 HydrophobicContact CB-CE2 4.42Å; K211-Y310 HydrophobicContact CB-CG 3.81Å; K211-Y310 HydrophobicContact CG-CD1 3.6Å; K211-Y310 HydrophobicContact CG-CD2 4.37Å; K211-Y310 HydrophobicContact CG-CE1 3.54Å; K211-Y310 HydrophobicContact CG-CE2 4.32Å; K211-Y310 HydrophobicContact CG-CG 4.03Å
212V97.2Very high90.8Very high0 Ų056.5 Ų56.50%027%0.269CS..EExtended strand (participates in β ladder)trans-142.2136175.353.70000108.5Q210 T228 Q229 V230 I301 Y303 D312Q210-V212 PolarHBondContact O-N 3.46Å; V212-T228 HydrophobicContact CG2-CG2 3.72Å; V212-Q229 WeakPolarHBondContact CA-O 3.5Å; V212-V230 HydrophobicContact CB-CG1 4.06Å; V212-V230 HydrophobicContact CG2-CG1 3.85Å; V212-I301 HydrophobicContact CG2-CB 4.29Å; V212-I301 HydrophobicContact CG2-CG2 3.76Å; V212-Y303 HydrophobicContact CB-CD1 4.19Å; V212-Y303 HydrophobicContact CB-CG 4.37Å; V212-D312 HydrophobicContact CG1-CB 4.08Å; V212-D312 HydrophobicContact CG2-CB 4.34Å
213C96.8Very high90.4Very high0 Ų052 Ų520%025%0.252CS..EExtended strand (participates in β ladder)trans-146.7138.4172.3-82.70000110.5F203 R206 L207 E215 T228 Q229 D312F203-C213 HydrophobicContact CD2-CB 4.28Å; F203-C213 HydrophobicContact CE2-CB 3.58Å; F203-C213 HydrophobicContact CZ-CB 4.19Å; R206-C213 PolarHBondContact NE-SG 2.99Å; L207-C213 HydrophobicContact CB-CB 4.24Å; L207-C213 HydrophobicContact CD1-CB 4.08Å; C213-E215 PolarHBondContact O-N 3.25Å; C213-T228 WeakPolarHBondContact O-CG2 3.48Å; C213-Q229 PolarHBondContact N-O 3.43Å; C213-Q229 PolarHBondContact O-N 2.94Å; C213-D312 VanDerWaalsContact CA-OD2 3.22Å; C213-D312 WeakPolarHBondContact CA-OD2 3.48Å
214L97.3Very high90.4Very high0 Ų051.8 Ų51.80%025%0.251CS..EExtended strand (participates in β ladder)trans-62.2132.8164-173.162.6000108.8P197 F203 V217 I227 F283 F299 I301 D312 Y319P197-L214 HydrophobicContact CB-CB 4.48Å; P197-L214 WeakPolarHBondContact CB-O 3.2Å; P197-L214 HydrophobicContact CG-CB 4.48Å; P197-L214 HydrophobicContact CG-CD2 4.14Å; P197-L214 HydrophobicContact CG-CG 4.32Å; F203-L214 VanDerWaalsContact CE2-O 3.32Å; F203-L214 WeakPolarHBondContact CE2-O 3.23Å; L214-V217 HydrophobicContact CD1-CG2 4.12Å; L214-V217 HydrophobicContact CD2-CG2 3.57Å; L214-V217 HydrophobicContact CG-CG2 4.21Å; L214-I227 WeakPolarHBondContact CD1-O 3.18Å; L214-F283 HydrophobicContact CD1-CE1 4Å; L214-F283 HydrophobicContact CD1-CZ 4.07Å; L214-F299 HydrophobicContact CD1-CE2 4.32Å; L214-F299 HydrophobicContact CD2-CE2 3.77Å; L214-F299 HydrophobicContact CD2-CZ 3.75Å; L214-I301 HydrophobicContact CB-CD1 3.62Å; L214-I301 HydrophobicContact CD1-CD1 3.89Å; L214-I301 HydrophobicContact CG-CD1 4.26Å; L214-D312 PolarHBondContact N-OD2 3.06Å; L214-Y319 HydrophobicContact CB-CD2 4.36Å; L214-Y319 HydrophobicContact CB-CE1 4.12Å; L214-Y319 HydrophobicContact CB-CE2 3.63Å; L214-Y319 VanDerWaalsContact CB-CZ 3.49Å; L214-Y319 HydrophobicContact CD2-CD1 3.46Å; L214-Y319 VanDerWaalsContact CD2-CD1 3.46Å; L214-Y319 HydrophobicContact CD2-CD2 3.68Å; L214-Y319 HydrophobicContact CD2-CE1 3.56Å; L214-Y319 HydrophobicContact CD2-CE2 3.74Å; L214-Y319 HydrophobicContact CD2-CG 3.52Å; L214-Y319 HydrophobicContact CG-CE1 4.45Å; L214-Y319 HydrophobicContact CG-CE2 4.37Å
215E96.1Very high90.5Very high20 Ų2050.8 Ų50.89%0.09325%0.245CC..EExtended strand (participates in β ladder)trans-97.8-54.5174.9-179.9179.3-160.900110.1G198 F203 C213 I227 Q229G198-E215 WeakPolarHBondContact CA-O 3.03Å; G198-E215 PolarHBondContact N-O 3.36Å; F203-E215 HydrophobicContact CE2-CB 4.46Å; F203-E215 HydrophobicContact CZ-CB 4.15Å; F203-E215 HydrophobicContact CZ-CG 4.39Å; C213-E215 PolarHBondContact O-N 3.25Å; E215-I227 WeakPolarHBondContact CA-O 3.37Å; E215-I227 HydrophobicContact CB-CG2 4.36Å; E215-I227 WeakPolarHBondContact CB-O 3.41Å; E215-I227 PolarHBondContact N-O 3.23Å; E215-I227 WeakPolarHBondContact OE2-CG2 3.36Å; E215-Q229 HydrophobicContact CB-CG 4.34Å; E215-Q229 PolarHBondContact OE1-NE2 3.46Å; E215-Q229 PolarHBondContact OE2-NE2 3.49Å
216R95.8Very high90.8Very high77 Ų7746 Ų4629%0.29122%0.223SC..EExtended strand (participates in β ladder)trans-146.3150.4-175.5-90-178.5-72.6-77.5-4112.7Q196 D199 G226 I227Q196-R216 HydrophobicContact CB-CG 3.93Å; Q196-R216 HydrophobicContact CG-CG 3.96Å; D199-R216 IonicContact OD1-NH1 2.69Å; D199-R216 PolarHBondContact OD1-NH1 3.48Å; R216-G226 CarbonylContact O-C 3.58Å; R216-G226 WeakPolarHBondContact O-CA 3.34Å; R216-I227 HydrophobicContact CB-CB 4.36Å; R216-I227 HydrophobicContact CB-CD1 4.39Å; R216-I227 PolarHBondContact N-O 3.38Å; R216-I227 PolarHBondContact O-N 3.46Å
217V96.1Very high91Very high4 Ų445.9 Ų45.92%0.02423%0.225CC..EExtended strand (participates in β ladder)trans-123.6129.1167.9-170.90000109.7F193 Q196 L214 I224 F299 L321F193-V217 HydrophobicContact CE1-CG2 4.25Å; F193-V217 HydrophobicContact CZ-CB 4.13Å; F193-V217 HydrophobicContact CZ-CG2 4.03Å; Q196-V217 PolarHBondContact NE2-O 3Å; L214-V217 HydrophobicContact CD1-CG2 4.12Å; L214-V217 HydrophobicContact CD2-CG2 3.57Å; L214-V217 HydrophobicContact CG-CG2 4.21Å; V217-I224 HydrophobicContact CG1-CG2 3.61Å; V217-F299 HydrophobicContact CG2-CZ 3.86Å; V217-L321 HydrophobicContact CG1-CD1 4.25Å; V217-L321 HydrophobicContact CG1-CD2 4.16Å
218L92.8Very high91.1Very high68 Ų6845.9 Ų45.936%0.35623%0.225SC..EExtended strand (participates in β ladder)trans-114.6119.6176.6-54175.4000108.2F220 I224 I225 I227L218-F220 HydrophobicContact CB-CD2 4.33Å; L218-F220 HydrophobicContact CB-CE2 3.39Å; L218-F220 HydrophobicContact CB-CZ 3.65Å; L218-F220 HydrophobicContact CD1-CE2 4.3Å; L218-F220 HydrophobicContact CD1-CZ 4.11Å; L218-F220 HydrophobicContact CG-CE2 4.48Å; L218-F220 HydrophobicContact CG-CZ 4.45Å; L218-I224 WeakPolarHBondContact O-CA 3.11Å; L218-I225 HydrophobicContact CB-CB 4.35Å; L218-I225 PolarHBondContact N-O 3.23Å; L218-I225 PolarHBondContact O-N 3.44Å; L218-I227 HydrophobicContact CD1-CD1 4.5Å
219C89Confident91.4Very high40 Ų4043.4 Ų43.427%0.2721%0.213SC..EExtended strand (participates in β ladder)trans-104.6123.1178.1-61.60000109.1L189L189-C219 WeakPolarHBondContact O-CB 3.2Å
220F80.3Confident91.6Very high116 Ų11637.8 Ų37.851%0.50919%0.187SC..EExtended strand (participates in β ladder)trans-121.6165.6176.4-53.4-82.2000109.5L218 L222 G223 I225L218-F220 HydrophobicContact CB-CD2 4.33Å; L218-F220 HydrophobicContact CB-CE2 3.39Å; L218-F220 HydrophobicContact CB-CZ 3.65Å; L218-F220 HydrophobicContact CD1-CE2 4.3Å; L218-F220 HydrophobicContact CD1-CZ 4.11Å; L218-F220 HydrophobicContact CG-CE2 4.48Å; L218-F220 HydrophobicContact CG-CZ 4.45Å; F220-L222 PolarHBondContact O-N 3.31Å; F220-G223 PolarHBondContact N-O 3.36Å; F220-G223 PolarHBondContact O-N 3Å; F220-G223 VanDerWaalsContact O-O 3.13Å; F220-I225 HydrophobicContact CD2-CD1 3.97Å; F220-I225 HydrophobicContact CE2-CB 4.28Å; F220-I225 HydrophobicContact CE2-CD1 3.6Å; F220-I225 HydrophobicContact CE2-CG1 4.28Å
221E69.8Low91.7Very high121 Ų12136.2 Ų36.257%0.56518%0.18SC*.THydrogen-bonded Turntrans-56.4-36.3177.2-65.6174.8-17500112.4
222L68.6Low91.7Very high174 Ų17436.7 Ų36.791%0.91119%0.185SC*.THydrogen-bonded Turntrans-96.7-4.2-173.8-62.1171.7000113.9F220F220-L222 PolarHBondContact O-N 3.31Å
223G80.2Confident91.6Very high15 Ų1540.5 Ų40.516%0.15521%0.205CC..EExtended strand (participates in β ladder)trans170165.4-174.200000115.2F220F220-G223 PolarHBondContact N-O 3.36Å; F220-G223 PolarHBondContact O-N 3Å; F220-G223 VanDerWaalsContact O-O 3.13Å
224I92.5Very high91.5Very high1 Ų143.9 Ų43.91%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-108.7130.1172.4-54.9142.7000107.9L189 V217 L218 H284 L285 V287 L297 L321L189-I224 HydrophobicContact CD1-CD1 3.53Å; L189-I224 HydrophobicContact CD1-CG1 3.84Å; V217-I224 HydrophobicContact CG1-CG2 3.61Å; L218-I224 WeakPolarHBondContact O-CA 3.11Å; I224-H284 CarbonylContact O-C 3.54Å; I224-H284 VanDerWaalsContact O-CA 3.31Å; I224-H284 WeakPolarHBondContact O-CA 3.4Å; I224-L285 HydrophobicContact CB-CB 4.14Å; I224-L285 HydrophobicContact CD1-CB 3.87Å; I224-L285 PolarHBondContact N-O 3.1Å; I224-L285 PolarHBondContact O-N 3.42Å; I224-V287 HydrophobicContact CD1-CG2 3.75Å; I224-V287 HydrophobicContact CG1-CG2 3.74Å; I224-L297 HydrophobicContact CD1-CD2 3.35Å; I224-L321 HydrophobicContact CB-CD1 4.48Å; I224-L321 HydrophobicContact CD1-CD1 3.86Å; I224-L321 HydrophobicContact CG1-CD1 3.95Å; I224-L321 HydrophobicContact CG2-CD1 3.72Å
225I95.4Very high91.3Very high27 Ų2753.1 Ų53.114%0.13826%0.263CS..EExtended strand (participates in β ladder)trans-113125.5173.6-68.8162000107.9L218 F220 R282 F283 H284L218-I225 HydrophobicContact CB-CB 4.35Å; L218-I225 PolarHBondContact N-O 3.23Å; L218-I225 PolarHBondContact O-N 3.44Å; F220-I225 HydrophobicContact CD2-CD1 3.97Å; F220-I225 HydrophobicContact CE2-CB 4.28Å; F220-I225 HydrophobicContact CE2-CD1 3.6Å; F220-I225 HydrophobicContact CE2-CG1 4.28Å; I225-R282 HydrophobicContact CG2-CG 3.86Å; I225-R282 VanDerWaalsContact CG2-NH1 3.34Å; I225-F283 WeakPolarHBondContact CA-O 3.32Å; I225-H284 WeakPolarHBondContact CG1-ND1 3.22Å
226G96.8Very high91.4Very high0 Ų059.9 Ų59.90%030%0.295CS..EExtended strand (participates in β ladder)trans-108.7142.5170.100000111.5R216 R282 F283R216-G226 CarbonylContact O-C 3.58Å; R216-G226 WeakPolarHBondContact O-CA 3.34Å; G226-R282 WeakPolarHBondContact O-CA 3.48Å; G226-F283 VanDerWaalsContact CA-CZ 3.49Å; G226-F283 PolarHBondContact N-O 3.33Å; G226-F283 PolarHBondContact O-N 3.16Å
227I97.6Very high91.4Very high36 Ų3658 Ų5819%0.18529%0.289CS..EExtended strand (participates in β ladder)trans-115.1122.6174-55.5175.5000106.5L214 E215 R216 L218 T280 F281L214-I227 WeakPolarHBondContact CD1-O 3.18Å; E215-I227 WeakPolarHBondContact CA-O 3.37Å; E215-I227 HydrophobicContact CB-CG2 4.36Å; E215-I227 WeakPolarHBondContact CB-O 3.41Å; E215-I227 PolarHBondContact N-O 3.23Å; E215-I227 WeakPolarHBondContact OE2-CG2 3.36Å; R216-I227 HydrophobicContact CB-CB 4.36Å; R216-I227 HydrophobicContact CB-CD1 4.39Å; R216-I227 PolarHBondContact N-O 3.38Å; R216-I227 PolarHBondContact O-N 3.46Å; L218-I227 HydrophobicContact CD1-CD1 4.5Å; I227-T280 HydrophobicContact CG2-CG2 3.58Å; I227-F281 WeakPolarHBondContact CA-O 3.34Å
228T97.6Very high91.4Very high0 Ų060.9 Ų60.90%030%0.302CS..EExtended strand (participates in β ladder)trans-120.7145.3-178.1-58.70000109.2V212 C213 V230 T280 F281 F283 I301V212-T228 HydrophobicContact CG2-CG2 3.72Å; C213-T228 WeakPolarHBondContact O-CG2 3.48Å; T228-V230 HydrophobicContact CG2-CG1 4.29Å; T228-T280 CarbonylContact O-C 3.58Å; T228-T280 WeakPolarHBondContact O-CA 3.34Å; T228-F281 PolarHBondContact N-O 3.12Å; T228-F281 PolarHBondContact O-N 2.92Å; T228-F283 WeakPolarHBondContact OG1-CE1 3.34Å; T228-I301 HydrophobicContact CG2-CD1 3.98Å; T228-I301 HydrophobicContact CG2-CG2 3.97Å; T228-I301 WeakPolarHBondContact OG1-CD1 3.29Å
229Q97.3Very high91.7Very high5 Ų557.8 Ų57.82%0.02329%0.286CS..EExtended strand (participates in β ladder)trans-110.5140.7167.4-69.3-178.511.500110.9F203 L207 V212 C213 E215 K264 D279F203-Q229 HydrophobicContact CZ-CB 4.28Å; F203-Q229 HydrophobicContact CZ-CG 4.44Å; L207-Q229 HydrophobicContact CD1-CB 4.07Å; L207-Q229 VanDerWaalsContact CD1-O 3.29Å; L207-Q229 WeakPolarHBondContact CD1-O 3.25Å; L207-Q229 HydrophobicContact CD2-CB 3.83Å; V212-Q229 WeakPolarHBondContact CA-O 3.5Å; C213-Q229 PolarHBondContact N-O 3.43Å; C213-Q229 PolarHBondContact O-N 2.94Å; E215-Q229 HydrophobicContact CB-CG 4.34Å; E215-Q229 PolarHBondContact OE1-NE2 3.46Å; E215-Q229 PolarHBondContact OE2-NE2 3.49Å; Q229-K264 VanDerWaalsContact CD-NZ 3.31Å; Q229-K264 VanDerWaalsContact NE2-NZ 3.18Å; Q229-D279 CarbonylContact C-O 3.56Å; Q229-D279 WeakPolarHBondContact CA-O 3.45Å
230V97.3Very high92.1Very high0 Ų056.9 Ų56.90%028%0.278CS..EExtended strand (participates in β ladder)trans-127.2146.3174-59.70000110K211 V212 T228 N232 K237 V239 C278 D279 F281 Y303K211-V230 CarbonylContact O-C 3.59Å; K211-V230 VanDerWaalsContact O-CA 3.28Å; K211-V230 WeakPolarHBondContact O-CA 3.23Å; V212-V230 HydrophobicContact CB-CG1 4.06Å; V212-V230 HydrophobicContact CG2-CG1 3.85Å; T228-V230 HydrophobicContact CG2-CG1 4.29Å; V230-N232 PolarHBondContact O-N 3.49Å; V230-K237 HydrophobicContact CG2-CD 4.05Å; V230-V239 HydrophobicContact CG1-CG2 3.83Å; V230-C278 CarbonylContact O-C 3.6Å; V230-C278 VanDerWaalsContact O-CA 3.23Å; V230-C278 WeakPolarHBondContact O-CA 3.14Å; V230-D279 HydrophobicContact CG2-CB 3.83Å; V230-D279 PolarHBondContact N-O 3.49Å; V230-D279 PolarHBondContact O-N 2.92Å; V230-F281 HydrophobicContact CG2-CD2 3.68Å; V230-F281 HydrophobicContact CG2-CE2 3.48Å; V230-F281 VanDerWaalsContact CG2-CE2 3.48Å; V230-Y303 HydrophobicContact CB-CD1 3.94Å; V230-Y303 HydrophobicContact CB-CD2 4.3Å; V230-Y303 HydrophobicContact CB-CE1 3.81Å; V230-Y303 HydrophobicContact CB-CE2 4.21Å; V230-Y303 HydrophobicContact CB-CG 4.17Å; V230-Y303 HydrophobicContact CG1-CD1 4.02Å; V230-Y303 HydrophobicContact CG1-CD2 4.07Å; V230-Y303 HydrophobicContact CG1-CE1 4.38Å; V230-Y303 HydrophobicContact CG1-CE2 4.45Å; V230-Y303 HydrophobicContact CG1-CG 3.83Å; V230-Y303 HydrophobicContact CG2-CE1 4.5Å; V230-Y303 HydrophobicContact CG2-CE2 4.23Å
231L96.3Very high92.9Very high13 Ų1351.3 Ų51.37%0.06825%0.253CS..EExtended strand (participates in β ladder)trans-69128.7173.6-167.266.7000109.2K211 L233 F276 Y303K211-L231 HydrophobicContact CB-CB 4.31Å; K211-L231 HydrophobicContact CD-CB 4.26Å; K211-L231 HydrophobicContact CD-CD2 3.53Å; K211-L231 PolarHBondContact O-N 3.28Å; L231-L233 HydrophobicContact CB-CG 4.42Å; L231-L233 HydrophobicContact CD2-CD2 3.79Å; L231-L233 HydrophobicContact CD2-CG 4.35Å; L231-L233 HydrophobicContact CG-CD2 4.11Å; L231-L233 HydrophobicContact CG-CG 4.35Å; L231-L233 PolarHBondContact O-N 3.42Å; L231-F276 HydrophobicContact CD1-CB 4.12Å; L231-F276 HydrophobicContact CD1-CD2 3.31Å; L231-F276 HydrophobicContact CD1-CE2 4.03Å; L231-F276 HydrophobicContact CD1-CG 4.08Å; L231-Y303 PolarHBondContact O-OH 3.08Å
232N95.4Very high94.2Very high54 Ų5449.7 Ų49.729%0.28924%0.242SC..  trans-78.685.8-177.4178.925.2000110.7V230 K237 S277V230-N232 PolarHBondContact O-N 3.49Å; N232-K237 VanDerWaalsContact OD1-CE 3.25Å; N232-K237 WeakPolarHBondContact OD1-CE 3.34Å; N232-K237 PolarHBondContact OD1-NZ 3.42Å; N232-S277 VanDerWaalsContact CB-O 3.32Å; N232-S277 WeakPolarHBondContact CB-O 3.49Å; N232-S277 WeakPolarHBondContact CB-OG 3.46Å; N232-S277 PolarHBondContact N-O 3.4Å; N232-S277 PolarHBondContact ND2-OG 2.88Å
233L94.5Very high95.5Very high80 Ų8042.5 Ų42.542%0.41920%0.203SC..  trans-90.7-34.5-178.2-65.7178.9000113.3L231 V305 Y310L231-L233 HydrophobicContact CB-CG 4.42Å; L231-L233 HydrophobicContact CD2-CD2 3.79Å; L231-L233 HydrophobicContact CD2-CG 4.35Å; L231-L233 HydrophobicContact CG-CD2 4.11Å; L231-L233 HydrophobicContact CG-CG 4.35Å; L231-L233 PolarHBondContact O-N 3.42Å; L233-V305 HydrophobicContact CB-CG1 4.31Å; L233-V305 HydrophobicContact CB-CG2 4.09Å; L233-V305 HydrophobicContact CD1-CG1 3.92Å; L233-Y310 HydrophobicContact CD1-CE2 4.23Å
234D95.1Very high96.2Very high71 Ų7141.9 Ų41.938%0.3820%0.196SC..  trans-153.7160.7179.4-169.2-90.2000110.5E236 K237 V305 C306D234-E236 PolarHBondContact OD1-N 3.3Å; D234-K237 WeakPolarHBondContact O-CE 3.44Å; D234-K237 VanDerWaalsContact O-CG 3.31Å; D234-K237 WeakPolarHBondContact O-CG 3.37Å; D234-K237 PolarHBondContact O-NZ 2.7Å; D234-V305 HydrophobicContact CB-CG2 3.64Å; D234-C306 WeakPolarHBondContact CB-SG 3.27Å
235F93.9Very high96.1Very high194 Ų19444.8 Ų44.885%0.85121%0.209SC*.SBendtrans-63.5-40.3177.1179.5-100000112.4K237F235-K237 PolarHBondContact O-N 3.44Å
236E96.5Very high95.8Very high162 Ų16246.3 Ų46.376%0.75722%0.219SC*.  trans-85.5102.1-175.5-150.7171.3-145.800110.6D234D234-E236 PolarHBondContact OD1-N 3.3Å
237K95.6Very high95.5Very high36 Ų3653.3 Ų53.316%0.15725%0.252CS..EExtended strand (participates in β ladder)trans-124.4132.1-175.1-60.1-173.3-170.276.40110.7V230 N232 D234 F235 D279 F281 Y303 V305V230-K237 HydrophobicContact CG2-CD 4.05Å; N232-K237 VanDerWaalsContact OD1-CE 3.25Å; N232-K237 WeakPolarHBondContact OD1-CE 3.34Å; N232-K237 PolarHBondContact OD1-NZ 3.42Å; D234-K237 WeakPolarHBondContact O-CE 3.44Å; D234-K237 VanDerWaalsContact O-CG 3.31Å; D234-K237 WeakPolarHBondContact O-CG 3.37Å; D234-K237 PolarHBondContact O-NZ 2.7Å; F235-K237 PolarHBondContact O-N 3.44Å; K237-D279 WeakPolarHBondContact CE-OD2 3.15Å; K237-D279 IonicContact NZ-OD2 3.89Å; K237-D279 PolarHBondContact NZ-OD2 3.16Å; K237-F281 HydrophobicContact CB-CZ 4.01Å; K237-F281 HydrophobicContact CD-CE2 4.15Å; K237-F281 HydrophobicContact CD-CZ 4.22Å; K237-Y303 HydrophobicContact CB-CE2 3.9Å; K237-Y303 HydrophobicContact CD-CE2 3.95Å; K237-Y303 WeakPolarHBondContact CD-OH 3.5Å; K237-Y303 HydrophobicContact CG-CE2 3.9Å; K237-V305 HydrophobicContact CG-CG2 4.37Å
238E97.6Very high95.2Very high66 Ų6655.7 Ų55.731%0.30826%0.259SS..EExtended strand (participates in β ladder)trans-115119169.2-178.4172.3-12500109.1E240 K255 K304E238-E240 HydrophobicContact CG-CG 3.87Å; E238-K255 IonicContact OE1-NZ 2.74Å; E238-K255 PolarHBondContact OE1-NZ 3.27Å; E238-K304 HydrophobicContact CB-CB 4.29Å; E238-K304 PolarHBondContact N-O 3.28Å; E238-K304 PolarHBondContact O-N 3.17Å; E238-K304 IonicContact OE2-NZ 2.95Å; E238-K304 PolarHBondContact OE2-NZ 3.2Å
239V98Very high94.9Very high3 Ų364.1 Ų64.12%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-116.5120.3176-179.20000108.3V230 A256 F281 I301 Q302 Y303V230-V239 HydrophobicContact CG1-CG2 3.83Å; V239-A256 HydrophobicContact CB-CB 3.98Å; V239-A256 HydrophobicContact CG1-CB 3.78Å; V239-A256 PolarHBondContact O-N 3.3Å; V239-F281 HydrophobicContact CB-CB 4.49Å; V239-F281 HydrophobicContact CB-CD1 3.88Å; V239-F281 HydrophobicContact CB-CE1 4.26Å; V239-F281 HydrophobicContact CB-CG 4.11Å; V239-F281 HydrophobicContact CG1-CB 4.34Å; V239-F281 HydrophobicContact CG1-CG 4.46Å; V239-F281 HydrophobicContact CG2-CD1 3.81Å; V239-F281 HydrophobicContact CG2-CD2 3.9Å; V239-F281 HydrophobicContact CG2-CE1 3.9Å; V239-F281 HydrophobicContact CG2-CE2 3.98Å; V239-F281 HydrophobicContact CG2-CG 3.81Å; V239-F281 HydrophobicContact CG2-CZ 3.98Å; V239-I301 HydrophobicContact CG1-CG2 3.92Å; V239-Q302 WeakPolarHBondContact CA-O 3.28Å; V239-Y303 HydrophobicContact CG2-CD2 3.88Å
240E97.9Very high94.7Very high20 Ų2067.5 Ų67.59%0.09332%0.32CS..EExtended strand (participates in β ladder)trans-126.9143.8-177.3-61-173.8135.600109.8E238 K255 Q302 K304E238-E240 HydrophobicContact CG-CG 3.87Å; E240-K255 HydrophobicContact CG-CG 4.27Å; E240-K255 WeakPolarHBondContact OE1-CE 3.14Å; E240-K255 IonicContact OE1-NZ 2.62Å; E240-Q302 PolarHBondContact N-O 3.25Å; E240-Q302 PolarHBondContact O-N 3.02Å; E240-Q302 PolarHBondContact OE2-OE1 3.19Å; E240-K304 IonicContact OE2-NZ 2.79Å; E240-K304 PolarHBondContact OE2-NZ 3.44Å
241V97.8Very high94.6Very high0 Ų070.6 Ų70.60%034%0.342CS..EExtended strand (participates in β ladder)trans-113.1119176-176.20000108.1E253 T254 F283 L285 F299 I301V241-E253 CarbonylContact O-C 3.59Å; V241-E253 VanDerWaalsContact O-CA 3.3Å; V241-E253 WeakPolarHBondContact O-CA 3.49Å; V241-T254 PolarHBondContact N-O 3.38Å; V241-T254 PolarHBondContact O-N 2.9Å; V241-F283 HydrophobicContact CB-CD2 4.28Å; V241-F283 HydrophobicContact CB-CE2 4.45Å; V241-F283 HydrophobicContact CB-CG 4.38Å; V241-F283 HydrophobicContact CG1-CD2 4.31Å; V241-F283 HydrophobicContact CG1-CE2 4.02Å; V241-F283 HydrophobicContact CG1-CZ 4.22Å; V241-F283 HydrophobicContact CG2-CB 3.97Å; V241-F283 HydrophobicContact CG2-CD1 3.46Å; V241-F283 VanDerWaalsContact CG2-CD1 3.46Å; V241-F283 HydrophobicContact CG2-CD2 3.8Å; V241-F283 HydrophobicContact CG2-CE1 3.7Å; V241-F283 HydrophobicContact CG2-CE2 4.05Å; V241-F283 HydrophobicContact CG2-CG 3.48Å; V241-F283 VanDerWaalsContact CG2-CG 3.48Å; V241-F283 HydrophobicContact CG2-CZ 3.97Å; V241-L285 HydrophobicContact CB-CD2 4.41Å; V241-L285 HydrophobicContact CG1-CD2 4.03Å; V241-F299 HydrophobicContact CG1-CB 3.97Å; V241-F299 HydrophobicContact CG1-CD2 3.81Å; V241-F299 HydrophobicContact CG1-CG 4.24Å; V241-I301 HydrophobicContact CG2-CG1 4.21Å; V241-I301 HydrophobicContact CG2-CG2 4.45Å
242R96.8Very high94.5Very high87 Ų8771.9 Ų71.933%0.32835%0.354SS..EExtended strand (participates in β ladder)trans-96.2126.5173.6-168.1-179.9-91.4162-6.6108.7W248 A252 E253 F299 A300 W311R242-W248 HydrophobicContact CG-CZ3 3.94Å; R242-A252 CarbonylContact C-O 3.58Å; R242-A252 WeakPolarHBondContact CA-O 3.4Å; R242-E253 HydrophobicContact CB-CG 4.1Å; R242-E253 HydrophobicContact CG-CG 3.92Å; R242-E253 IonicContact CZ-OE1 3.09Å; R242-E253 IonicContact NE-OE1 2.84Å; R242-E253 PolarHBondContact NE-OE1 3.22Å; R242-E253 IonicContact NH2-OE1 2.64Å; R242-E253 PolarHBondContact NH2-OE1 2.95Å; R242-F299 CarbonylContact O-C 3.45Å; R242-F299 WeakPolarHBondContact O-CA 3.43Å; R242-F299 WeakPolarHBondContact O-CB 3.47Å; R242-A300 PolarHBondContact N-O 2.93Å; R242-A300 PolarHBondContact O-N 3.48Å; R242-W311 HydrophobicContact CB-CZ3 4.43Å
243Y95.4Very high94.5Very high23 Ų2373.6 Ų73.69%0.0936%0.36CS..EExtended strand (participates in β ladder)trans-137.4158.4-174.366.8-86.3000112.6F245 S251 A252 T254 L285 P286 L297 E298Y243-F245 HydrophobicContact CD2-CD2 4.45Å; Y243-F245 AromaticContact CD2-CE2 3.91Å; Y243-F245 HydrophobicContact CD2-CE2 3.91Å; Y243-F245 AromaticContact CE2-CE2 3.83Å; Y243-F245 HydrophobicContact CE2-CE2 3.83Å; Y243-S251 CarbonylContact O-C 3.49Å; Y243-S251 WeakPolarHBondContact O-CA 3.48Å; Y243-A252 VanDerWaalsContact CD1-O 3.29Å; Y243-A252 WeakPolarHBondContact CD1-O 3.31Å; Y243-A252 HydrophobicContact CD2-CB 4.41Å; Y243-A252 HydrophobicContact CE1-CB 3.89Å; Y243-A252 HydrophobicContact CE2-CB 3.76Å; Y243-A252 VanDerWaalsContact CZ-CB 3.47Å; Y243-A252 PolarHBondContact N-O 3.33Å; Y243-A252 PolarHBondContact O-N 2.78Å; Y243-T254 WeakPolarHBondContact CE1-OG1 3.38Å; Y243-L285 HydrophobicContact CD1-CD2 3.53Å; Y243-L285 HydrophobicContact CE1-CD2 3.9Å; Y243-L285 HydrophobicContact CG-CD2 3.96Å; Y243-P286 HydrophobicContact CE2-CG 4.15Å; Y243-P286 WeakPolarHBondContact OH-CG 3.45Å; Y243-L297 HydrophobicContact CD2-CD1 3.91Å; Y243-L297 HydrophobicContact CG-CD1 4.38Å; Y243-E298 CarbonylContact C-O 3.6Å; Y243-E298 WeakPolarHBondContact CA-O 3.37Å; Y243-E298 WeakPolarHBondContact CB-O 3.42Å
244S94.3Very high94.6Very high2 Ų271.6 Ų71.61%0.01435%0.351CS..EExtended strand (participates in β ladder)trans-149.9138.5-177.6153.50000111.5T246 E247 W248 S250 L297 E298S244-T246 PolarHBondContact OG-N 3.42Å; S244-E247 PolarHBondContact OG-N 3.37Å; S244-W248 WeakPolarHBondContact OG-CA 3.47Å; S244-W248 PolarHBondContact OG-N 3.19Å; S244-S250 VanDerWaalsContact CB-O 3.24Å; S244-S250 WeakPolarHBondContact CB-O 3.25Å; S244-S250 PolarHBondContact OG-O 2.97Å; S244-L297 WeakPolarHBondContact O-CD1 3.38Å; S244-E298 PolarHBondContact N-O 3.36Å; S244-E298 PolarHBondContact O-N 3.31Å
245F90.3Very high94.7Very high62 Ų6274.4 Ų74.427%0.27236%0.36SS..SBendtrans-98.22.5169.7-64.7-83.5000113.6Y243 P286 P288 L291 L297Y243-F245 HydrophobicContact CD2-CD2 4.45Å; Y243-F245 AromaticContact CD2-CE2 3.91Å; Y243-F245 HydrophobicContact CD2-CE2 3.91Å; Y243-F245 AromaticContact CE2-CE2 3.83Å; Y243-F245 HydrophobicContact CE2-CE2 3.83Å; F245-P286 WeakPolarHBondContact CZ-O 3.37Å; F245-P288 HydrophobicContact CD1-CG 4.34Å; F245-P288 HydrophobicContact CD2-CG 4.32Å; F245-P288 HydrophobicContact CE1-CG 3.95Å; F245-P288 HydrophobicContact CE2-CG 3.93Å; F245-P288 HydrophobicContact CZ-CG 3.76Å; F245-L291 HydrophobicContact CD1-CD2 4.12Å; F245-L291 HydrophobicContact CE1-CD2 4.18Å; F245-L297 HydrophobicContact CD1-CB 4Å; F245-L297 HydrophobicContact CD1-CD1 3.93Å; F245-L297 HydrophobicContact CD1-CG 4.46Å; F245-L297 HydrophobicContact CD2-CD1 4.21Å; F245-L297 HydrophobicContact CE1-CB 3.79Å; F245-L297 HydrophobicContact CE1-CD1 3.67Å; F245-L297 HydrophobicContact CE1-CD2 3.93Å; F245-L297 HydrophobicContact CE1-CG 4Å; F245-L297 HydrophobicContact CE2-CD1 3.95Å; F245-L297 HydrophobicContact CG-CD1 4.19Å; F245-L297 HydrophobicContact CZ-CD1 3.65Å; F245-L297 HydrophobicContact CZ-CD2 3.98Å; F245-L297 HydrophobicContact CZ-CG 4.28Å
246T89.8Confident94.9Very high58 Ų5865.8 Ų65.836%0.35633%0.325SS..SBendtrans-13233.6-165.959.60000113.1S244 W248 K249 S250S244-T246 PolarHBondContact OG-N 3.42Å; T246-W248 VanDerWaalsContact C-N 3.26Å; T246-W248 PolarHBondContact O-N 3.48Å; T246-K249 WeakPolarHBondContact O-CB 3.48Å; T246-K249 WeakPolarHBondContact O-CG 3.43Å; T246-K249 PolarHBondContact O-N 2.84Å; T246-K249 VanDerWaalsContact O-N 3.16Å; T246-S250 WeakPolarHBondContact OG1-CB 3.27Å; T246-S250 PolarHBondContact OG1-N 3.2Å; T246-S250 PolarHBondContact OG1-O 2.71Å
247E89.7Confident95Very high147 Ų14762 Ų6269%0.68732%0.316SS*.THydrogen-bonded Turntrans53.344.3-178.2-58.1165.5-13000112S244 K249S244-E247 PolarHBondContact OG-N 3.37Å; E247-K249 PolarHBondContact O-N 2.93Å
248W92.6Very high95.1Very high87 Ų8767.2 Ų67.233%0.3334%0.335SS..THydrogen-bonded Turntrans66.110.5179-56.194.6000116.4R242 S244 T246 S250 E298 A300 N318R242-W248 HydrophobicContact CG-CZ3 3.94Å; S244-W248 WeakPolarHBondContact OG-CA 3.47Å; S244-W248 PolarHBondContact OG-N 3.19Å; T246-W248 VanDerWaalsContact C-N 3.26Å; T246-W248 PolarHBondContact O-N 3.48Å; W248-S250 VanDerWaalsContact C-N 3.31Å; W248-E298 HydrophobicContact CZ2-CB 3.97Å; W248-E298 PolarHBondContact NE1-OE2 3.08Å; W248-A300 HydrophobicContact CH2-CB 4.45Å; W248-N318 HydrophobicContact CZ2-CB 4.39Å; W248-N318 WeakPolarHBondContact CZ2-ND2 3.41Å; W248-N318 PolarHBondContact NE1-ND2 3.32Å
249K90.5Very high95.1Very high176 Ų17667.7 Ų67.777%0.76534%0.342SS*.SBendtrans-66.5-35.3169.3-65.9172.8-176.1166.30112.3T246 E247T246-K249 WeakPolarHBondContact O-CB 3.48Å; T246-K249 WeakPolarHBondContact O-CG 3.43Å; T246-K249 PolarHBondContact O-N 2.84Å; T246-K249 VanDerWaalsContact O-N 3.16Å; E247-K249 PolarHBondContact O-N 2.93Å
250S92.8Very high95Very high77 Ų7769.6 Ų69.654%0.53836%0.356SS..SBendtrans-130.9125.1172.2164.60000108.4S244 T246 W248S244-S250 VanDerWaalsContact CB-O 3.24Å; S244-S250 WeakPolarHBondContact CB-O 3.25Å; S244-S250 PolarHBondContact OG-O 2.97Å; T246-S250 WeakPolarHBondContact OG1-CB 3.27Å; T246-S250 PolarHBondContact OG1-N 3.2Å; T246-S250 PolarHBondContact OG1-O 2.71Å; W248-S250 VanDerWaalsContact C-N 3.31Å
251S94.9Very high94.9Very high65 Ų6572 Ų7246%0.45537%0.372SS..  trans-115.1146.7174.458.70000111.3Y243Y243-S251 CarbonylContact O-C 3.49Å; Y243-S251 WeakPolarHBondContact O-CA 3.48Å
252A94.9Very high94.5Very high40 Ų4074.8 Ų74.833%0.33139%0.389SS..EExtended strand (participates in β ladder)trans-127.8162.9169.800000109.4R242 Y243R242-A252 CarbonylContact C-O 3.58Å; R242-A252 WeakPolarHBondContact CA-O 3.4Å; Y243-A252 VanDerWaalsContact CD1-O 3.29Å; Y243-A252 WeakPolarHBondContact CD1-O 3.31Å; Y243-A252 HydrophobicContact CD2-CB 4.41Å; Y243-A252 HydrophobicContact CE1-CB 3.89Å; Y243-A252 HydrophobicContact CE2-CB 3.76Å; Y243-A252 VanDerWaalsContact CZ-CB 3.47Å; Y243-A252 PolarHBondContact N-O 3.33Å; Y243-A252 PolarHBondContact O-N 2.78Å
253E96.3Very high94.3Very high89 Ų8974.5 Ų74.542%0.41640%0.397SS..EExtended strand (participates in β ladder)trans-127.3150.2-176-73.4165.1-163.500110.6V241 R242V241-E253 CarbonylContact O-C 3.59Å; V241-E253 VanDerWaalsContact O-CA 3.3Å; V241-E253 WeakPolarHBondContact O-CA 3.49Å; R242-E253 HydrophobicContact CB-CG 4.1Å; R242-E253 HydrophobicContact CG-CG 3.92Å; R242-E253 IonicContact CZ-OE1 3.09Å; R242-E253 IonicContact NE-OE1 2.84Å; R242-E253 PolarHBondContact NE-OE1 3.22Å; R242-E253 IonicContact NH2-OE1 2.64Å; R242-E253 PolarHBondContact NH2-OE1 2.95Å
254T96.5Very high93.9Very high38 Ų3875.1 Ų75.123%0.23340%0.4CS..EExtended strand (participates in β ladder)trans-144.6133.6173.4-70.10000110.1V241 Y243 H284V241-T254 PolarHBondContact N-O 3.38Å; V241-T254 PolarHBondContact O-N 2.9Å; Y243-T254 WeakPolarHBondContact CE1-OG1 3.38Å; T254-H284 WeakPolarHBondContact CG2-O 3.45Å
255K97.4Very high93.3Very high130 Ų13079.2 Ų79.257%0.56543%0.425SS*.EExtended strand (participates in β ladder)trans-74.3141.5176.8-58.9-161.5173.9-145.90110.8E238 E240E238-K255 IonicContact OE1-NZ 2.74Å; E238-K255 PolarHBondContact OE1-NZ 3.27Å; E240-K255 HydrophobicContact CG-CG 4.27Å; E240-K255 WeakPolarHBondContact OE1-CE 3.14Å; E240-K255 IonicContact OE1-NZ 2.62Å
256A97.8Very high92.6Very high14 Ų1477.2 Ų77.212%0.11642%0.418CS..  trans-90.6151.5169.600000110.4V239 F281 R282 F283V239-A256 HydrophobicContact CB-CB 3.98Å; V239-A256 HydrophobicContact CG1-CB 3.78Å; V239-A256 PolarHBondContact O-N 3.3Å; A256-F281 HydrophobicContact CB-CB 3.92Å; A256-F281 HydrophobicContact CB-CD1 4.13Å; A256-F281 HydrophobicContact CB-CG 4.49Å; A256-R282 CarbonylContact C-O 3.54Å; A256-R282 WeakPolarHBondContact CA-O 3.12Å; A256-F283 HydrophobicContact CB-CB 3.87Å
257S97.9Very high91.6Very high81 Ų8182.1 Ų82.157%0.56644%0.443SS*.EExtended strand (participates in β ladder)trans-105.4136175.6-530000109.9F281 R282S257-F281 CarbonylContact O-C 3.53Å; S257-F281 WeakPolarHBondContact O-CA 3.41Å; S257-R282 PolarHBondContact N-O 3.18Å; S257-R282 PolarHBondContact O-N 3.38Å
258W97.7Very high90.4Very high147 Ų14776.4 Ų76.456%0.55742%0.423SS*.EExtended strand (participates in β ladder)trans-62.3143.7173.1175.984.7000110.9S260 D279 F281W258-S260 PolarHBondContact NE1-O 3.16Å; W258-D279 PolarHBondContact NE1-OD1 3.29Å; W258-F281 HydrophobicContact CB-CD1 4.2Å; W258-F281 HydrophobicContact CB-CE1 3.75Å; W258-F281 HydrophobicContact CB-CZ 3.93Å; W258-F281 AromaticContact CD1-CE2 3.99Å; W258-F281 HydrophobicContact CG-CZ 4.41Å
259V97.1Very high88.5Confident75 Ų7582.6 Ų82.646%0.45546%0.456SS..EExtended strand (participates in β ladder)trans-120.3-53.7-178.3-179.60000111.3T280 R282V259-T280 HydrophobicContact CB-CG2 4.34Å; V259-T280 WeakPolarHBondContact CB-O 3.5Å; V259-T280 PolarHBondContact N-O 3.45Å; V259-R282 HydrophobicContact CG2-CB 3.58Å
260S96.2Very high87Confident44 Ų4477.7 Ų77.731%0.30846%0.455SS..EExtended strand (participates in β ladder)trans-162.6162.2-174.360.10000111.5W258 D279 T280W258-S260 PolarHBondContact NE1-O 3.16Å; S260-D279 CarbonylContact O-C 3.6Å; S260-D279 WeakPolarHBondContact O-CA 3.45Å; S260-T280 PolarHBondContact O-N 2.86Å
261T95.6Very high85.3Confident71 Ų7177.7 Ų77.744%0.43647%0.467SS..EExtended strand (participates in β ladder)trans-105.6136.1168.8-52.70000108.9C278 D279T261-C278 CarbonylContact C-O 3.55Å; T261-C278 WeakPolarHBondContact CA-O 3.47Å; T261-D279 WeakPolarHBondContact CA-OD1 3.39Å; T261-D279 VanDerWaalsContact CB-OD1 3.27Å; T261-D279 WeakPolarHBondContact CB-OD1 3.17Å; T261-D279 WeakPolarHBondContact CG2-OD1 3.24Å; T261-D279 PolarHBondContact OG1-OD1 3.36Å
262V90.9Very high83.7Confident58 Ų5885.2 Ų85.235%0.35249%0.486SS..EExtended strand (participates in β ladder)trans-131.5129.1-180-178.30000108.4K264 C278V262-K264 HydrophobicContact CG1-CG 4.14Å; V262-C278 PolarHBondContact N-O 3.43Å; V262-C278 PolarHBondContact O-N 3.46Å; V262-C278 VanDerWaalsContact O-O 3.13Å
263T91.3Very high82.5Confident81 Ų8185.3 Ų85.350%0.49749%0.491SS..EExtended strand (participates in β ladder)trans-89.3134.5171.5-41.90000109.8E275T263-E275 HydrophobicContact CG2-CG 3.34Å; T263-E275 WeakPolarHBondContact CG2-OE1 3.36Å
264K87.1Confident81.6Confident36 Ų3686.4 Ų86.416%0.15750%0.496CS..EExtended strand (participates in β ladder)trans-127.8143.6-175.5-62.3-164166.3-161.60110.1L204 Q229 V262 E275 F276L204-K264 HydrophobicContact CD2-CB 4.49Å; L204-K264 HydrophobicContact CD2-CD 3.5Å; L204-K264 VanDerWaalsContact CD2-CD 3.5Å; Q229-K264 VanDerWaalsContact CD-NZ 3.31Å; Q229-K264 VanDerWaalsContact NE2-NZ 3.18Å; V262-K264 HydrophobicContact CG1-CG 4.14Å; K264-E275 CarbonylContact O-C 3.59Å; K264-E275 WeakPolarHBondContact O-CA 3.41Å; K264-F276 HydrophobicContact CB-CE1 4.37Å; K264-F276 HydrophobicContact CB-CE2 4.36Å; K264-F276 HydrophobicContact CB-CZ 4.18Å; K264-F276 PolarHBondContact N-O 3.45Å; K264-F276 PolarHBondContact O-N 2.9Å
265T82.8Confident81.1Confident87 Ų8791.2 Ų91.253%0.53452%0.516SS..EExtended strand (participates in β ladder)trans-105.4123171.227.60000108.5E275T265-E275 HydrophobicContact CG2-CB 3.98Å; T265-E275 HydrophobicContact CG2-CG 4.18Å
266C74.7Confident80.8Confident20 Ų2085.9 Ų85.914%0.13549%0.493CS..EExtended strand (participates in β ladder)trans-98.2143.2164.6560000109.7L204 G268 G273 E274 F276L204-C266 HydrophobicContact CB-CB 4.36Å; C266-G268 PolarHBondContact O-N 2.94Å; C266-G273 CarbonylContact O-C 3.5Å; C266-G273 WeakPolarHBondContact O-CA 3.48Å; C266-E274 PolarHBondContact N-O 3.23Å; C266-E274 PolarHBondContact O-N 3.35Å; C266-E274 PolarHBondContact SG-O 3.28Å; C266-E274 VanDerWaalsContact SG-O 3.38Å; C266-F276 HydrophobicContact CB-CE1 3.76Å; C266-F276 VanDerWaalsContact SG-CE1 3.56Å
267D70Confident80.6Confident162 Ų16287.1 Ų87.187%0.86650%0.5SS*.  trans-72.599.4173.3-66.4-35.8000108.6
268G62.5Low80.5Confident27 Ų2783.3 Ų83.328%0.27847%0.473SS..  trans-70.2152.4175.400000111.9C266 G270 G271C266-G268 PolarHBondContact O-N 2.94Å; G268-G270 PolarHBondContact O-N 3.2Å; G268-G271 PolarHBondContact O-N 3.49Å; G268-G271 VanDerWaalsContact O-N 3.15Å
269E52.8Low80.4Confident217 Ų21776.6 Ų76.6100%1.01445%0.448SS*.THydrogen-bonded Turntrans-62.794.3174-157.8175.3-161.500109.2
270G60.3Low80.5Confident72 Ų7273.7 Ų73.774%0.74243%0.431SS*.THydrogen-bonded Turntrans134.93.6-174.500000116.3G268 R272G268-G270 PolarHBondContact O-N 3.2Å; G270-R272 PolarHBondContact O-N 2.92Å
271G57.3Low80.6Confident78 Ų7872.1 Ų72.180%0.80442%0.418SS*.SBendtrans73.58.6172.500000115G268G268-G271 PolarHBondContact O-N 3.49Å; G268-G271 VanDerWaalsContact O-N 3.15Å
272R60.8Low80.7Confident222 Ų22273.3 Ų73.384%0.83842%0.415SS*.  trans-101106.5163.9-65-176.4-171.5-123.91.4106.6G270 E274G270-R272 PolarHBondContact O-N 2.92Å; R272-E274 PolarHBondContact O-N 3.31Å
273G68.9Low81Confident42 Ų4270.6 Ų70.643%0.43340%0.398SS..PPolyproline II helixtrans-63126.2176.600000110C266C266-G273 CarbonylContact O-C 3.5Å; C266-G273 WeakPolarHBondContact O-CA 3.48Å
274E77.9Confident81.2Confident113 Ų11371 Ų7153%0.52840%0.395SS..EExtended strand (participates in β ladder)trans-83.2119.8173.9-171.2173.3-168.500107.7C266 R272C266-E274 PolarHBondContact N-O 3.23Å; C266-E274 PolarHBondContact O-N 3.35Å; C266-E274 PolarHBondContact SG-O 3.28Å; C266-E274 VanDerWaalsContact SG-O 3.38Å; R272-E274 PolarHBondContact O-N 3.31Å
275E85.9Confident81.4Confident139 Ų13969.5 Ų69.565%0.6539%0.388SS*.EExtended strand (participates in β ladder)trans-90.7123.9179.1-172.5174.7-17100109.4T263 K264 T265T263-E275 HydrophobicContact CG2-CG 3.34Å; T263-E275 WeakPolarHBondContact CG2-OE1 3.36Å; K264-E275 CarbonylContact O-C 3.59Å; K264-E275 WeakPolarHBondContact O-CA 3.41Å; T265-E275 HydrophobicContact CG2-CB 3.98Å; T265-E275 HydrophobicContact CG2-CG 4.18Å
276F90.3Very high81.5Confident18 Ų1868.5 Ų68.58%0.07938%0.383CS..EExtended strand (participates in β ladder)trans-133.8147.6178.263.6-84.6000111.5L204 L207 H208 L231 K264 C266 C278L204-F276 HydrophobicContact CB-CZ 4.43Å; L204-F276 HydrophobicContact CD2-CZ 4.48Å; L207-F276 HydrophobicContact CD2-CE2 4.29Å; H208-F276 HydrophobicContact CB-CZ 4.48Å; L231-F276 HydrophobicContact CD1-CB 4.12Å; L231-F276 HydrophobicContact CD1-CD2 3.31Å; L231-F276 HydrophobicContact CD1-CE2 4.03Å; L231-F276 HydrophobicContact CD1-CG 4.08Å; K264-F276 HydrophobicContact CB-CE1 4.37Å; K264-F276 HydrophobicContact CB-CE2 4.36Å; K264-F276 HydrophobicContact CB-CZ 4.18Å; K264-F276 PolarHBondContact N-O 3.45Å; K264-F276 PolarHBondContact O-N 2.9Å; C266-F276 HydrophobicContact CB-CE1 3.76Å; C266-F276 VanDerWaalsContact SG-CE1 3.56Å; F276-C278 WeakPolarHBondContact CD2-SG 3.45Å; F276-C278 WeakPolarHBondContact CE2-SG 3.33Å
277S93.8Very high81.7Confident40 Ų4069.6 Ų69.628%0.2839%0.389SS..EExtended strand (participates in β ladder)trans-94136.7179.568.90000111.6N232N232-S277 VanDerWaalsContact CB-O 3.32Å; N232-S277 WeakPolarHBondContact CB-O 3.49Å; N232-S277 WeakPolarHBondContact CB-OG 3.46Å; N232-S277 PolarHBondContact N-O 3.4Å; N232-S277 PolarHBondContact ND2-OG 2.88Å
278C95.6Very high82Confident0 Ų063.9 Ų63.90%036%0.361CS..EExtended strand (participates in β ladder)trans-126.1145.2-179.9-60.10000110.3L207 V230 T261 V262 F276L207-C278 HydrophobicContact CD2-CB 4.48Å; V230-C278 CarbonylContact O-C 3.6Å; V230-C278 VanDerWaalsContact O-CA 3.23Å; V230-C278 WeakPolarHBondContact O-CA 3.14Å; T261-C278 CarbonylContact C-O 3.55Å; T261-C278 WeakPolarHBondContact CA-O 3.47Å; V262-C278 PolarHBondContact N-O 3.43Å; V262-C278 PolarHBondContact O-N 3.46Å; V262-C278 VanDerWaalsContact O-O 3.13Å; F276-C278 WeakPolarHBondContact CD2-SG 3.45Å; F276-C278 WeakPolarHBondContact CE2-SG 3.33Å
279D97.1Very high82.2Confident6 Ų667.4 Ų67.43%0.03238%0.379CS..EExtended strand (participates in β ladder)trans-102.2140.9168.8-76.1-27.1000111.1Q229 V230 K237 W258 S260 T261 F281Q229-D279 CarbonylContact C-O 3.56Å; Q229-D279 WeakPolarHBondContact CA-O 3.45Å; V230-D279 HydrophobicContact CG2-CB 3.83Å; V230-D279 PolarHBondContact N-O 3.49Å; V230-D279 PolarHBondContact O-N 2.92Å; K237-D279 WeakPolarHBondContact CE-OD2 3.15Å; K237-D279 IonicContact NZ-OD2 3.89Å; K237-D279 PolarHBondContact NZ-OD2 3.16Å; W258-D279 PolarHBondContact NE1-OD1 3.29Å; S260-D279 CarbonylContact O-C 3.6Å; S260-D279 WeakPolarHBondContact O-CA 3.45Å; T261-D279 WeakPolarHBondContact CA-OD1 3.39Å; T261-D279 VanDerWaalsContact CB-OD1 3.27Å; T261-D279 WeakPolarHBondContact CB-OD1 3.17Å; T261-D279 WeakPolarHBondContact CG2-OD1 3.24Å; T261-D279 PolarHBondContact OG1-OD1 3.36Å; D279-F281 HydrophobicContact CB-CD2 4.12Å; D279-F281 HydrophobicContact CB-CE2 3.65Å
280T97.9Very high83Confident14 Ų1461.5 Ų61.59%0.08636%0.362CS..EExtended strand (participates in β ladder)trans-97.1126.6173.7-570000109.2I227 T228 V259 S260I227-T280 HydrophobicContact CG2-CG2 3.58Å; T228-T280 CarbonylContact O-C 3.58Å; T228-T280 WeakPolarHBondContact O-CA 3.34Å; V259-T280 HydrophobicContact CB-CG2 4.34Å; V259-T280 WeakPolarHBondContact CB-O 3.5Å; V259-T280 PolarHBondContact N-O 3.45Å; S260-T280 PolarHBondContact O-N 2.86Å
281F98.2Very high83.6Confident11 Ų1159.5 Ų59.55%0.04833%0.334CS..EExtended strand (participates in β ladder)trans-117.2146175.9-79.1-101.2000110.4I227 T228 V230 K237 V239 A256 S257 W258 D279I227-F281 WeakPolarHBondContact CA-O 3.34Å; T228-F281 PolarHBondContact N-O 3.12Å; T228-F281 PolarHBondContact O-N 2.92Å; V230-F281 HydrophobicContact CG2-CD2 3.68Å; V230-F281 HydrophobicContact CG2-CE2 3.48Å; V230-F281 VanDerWaalsContact CG2-CE2 3.48Å; K237-F281 HydrophobicContact CB-CZ 4.01Å; K237-F281 HydrophobicContact CD-CE2 4.15Å; K237-F281 HydrophobicContact CD-CZ 4.22Å; V239-F281 HydrophobicContact CB-CB 4.49Å; V239-F281 HydrophobicContact CB-CD1 3.88Å; V239-F281 HydrophobicContact CB-CE1 4.26Å; V239-F281 HydrophobicContact CB-CG 4.11Å; V239-F281 HydrophobicContact CG1-CB 4.34Å; V239-F281 HydrophobicContact CG1-CG 4.46Å; V239-F281 HydrophobicContact CG2-CD1 3.81Å; V239-F281 HydrophobicContact CG2-CD2 3.9Å; V239-F281 HydrophobicContact CG2-CE1 3.9Å; V239-F281 HydrophobicContact CG2-CE2 3.98Å; V239-F281 HydrophobicContact CG2-CG 3.81Å; V239-F281 HydrophobicContact CG2-CZ 3.98Å; A256-F281 HydrophobicContact CB-CB 3.92Å; A256-F281 HydrophobicContact CB-CD1 4.13Å; A256-F281 HydrophobicContact CB-CG 4.49Å; S257-F281 CarbonylContact O-C 3.53Å; S257-F281 WeakPolarHBondContact O-CA 3.41Å; W258-F281 HydrophobicContact CB-CD1 4.2Å; W258-F281 HydrophobicContact CB-CE1 3.75Å; W258-F281 HydrophobicContact CB-CZ 3.93Å; W258-F281 AromaticContact CD1-CE2 3.99Å; W258-F281 HydrophobicContact CG-CZ 4.41Å; D279-F281 HydrophobicContact CB-CD2 4.12Å; D279-F281 HydrophobicContact CB-CE2 3.65Å
282R98.1Very high84.6Confident96 Ų9665.5 Ų65.536%0.36233%0.332SS..EExtended strand (participates in β ladder)trans-123130.8178.5-172.3175.9101105.2-13.4110.7I225 G226 A256 S257 V259 H284I225-R282 HydrophobicContact CG2-CG 3.86Å; I225-R282 VanDerWaalsContact CG2-NH1 3.34Å; G226-R282 WeakPolarHBondContact O-CA 3.48Å; A256-R282 CarbonylContact C-O 3.54Å; A256-R282 WeakPolarHBondContact CA-O 3.12Å; S257-R282 PolarHBondContact N-O 3.18Å; S257-R282 PolarHBondContact O-N 3.38Å; V259-R282 HydrophobicContact CG2-CB 3.58Å; R282-H284 PolarHBondContact NH1-CE1 3.05Å; R282-H284 PolarHBondContact NH1-NE2 3.43Å; R282-H284 PolarHBondContact NH2-CE1 3.19Å; R282-H284 PolarHBondContact NH2-NE2 2.98Å
283F97Very high85.6Confident1 Ų158.7 Ų58.70%0.00432%0.317CS..EExtended strand (participates in β ladder)trans-124.6161.3175.264.5-95000111.1L214 I225 G226 T228 V241 A256 L285 F299L214-F283 HydrophobicContact CD1-CE1 4Å; L214-F283 HydrophobicContact CD1-CZ 4.07Å; I225-F283 WeakPolarHBondContact CA-O 3.32Å; G226-F283 VanDerWaalsContact CA-CZ 3.49Å; G226-F283 PolarHBondContact N-O 3.33Å; G226-F283 PolarHBondContact O-N 3.16Å; T228-F283 WeakPolarHBondContact OG1-CE1 3.34Å; V241-F283 HydrophobicContact CB-CD2 4.28Å; V241-F283 HydrophobicContact CB-CE2 4.45Å; V241-F283 HydrophobicContact CB-CG 4.38Å; V241-F283 HydrophobicContact CG1-CD2 4.31Å; V241-F283 HydrophobicContact CG1-CE2 4.02Å; V241-F283 HydrophobicContact CG1-CZ 4.22Å; V241-F283 HydrophobicContact CG2-CB 3.97Å; V241-F283 HydrophobicContact CG2-CD1 3.46Å; V241-F283 VanDerWaalsContact CG2-CD1 3.46Å; V241-F283 HydrophobicContact CG2-CD2 3.8Å; V241-F283 HydrophobicContact CG2-CE1 3.7Å; V241-F283 HydrophobicContact CG2-CE2 4.05Å; V241-F283 HydrophobicContact CG2-CG 3.48Å; V241-F283 VanDerWaalsContact CG2-CG 3.48Å; V241-F283 HydrophobicContact CG2-CZ 3.97Å; A256-F283 HydrophobicContact CB-CB 3.87Å; F283-L285 HydrophobicContact CD2-CD1 4.47Å; F283-L285 HydrophobicContact CD2-CD2 3.94Å; F283-L285 HydrophobicContact CD2-CG 3.84Å; F283-L285 HydrophobicContact CE2-CD1 3.88Å; F283-L285 HydrophobicContact CE2-CD2 4.13Å; F283-L285 HydrophobicContact CE2-CG 3.74Å; F283-F299 HydrophobicContact CE2-CE2 4.41Å; F283-F299 HydrophobicContact CZ-CD2 4.22Å; F283-F299 AromaticContact CZ-CE2 3.78Å; F283-F299 HydrophobicContact CZ-CE2 3.78Å; F283-F299 HydrophobicContact CZ-CZ 4.42Å
284H95.3Very high86.2Confident91 Ų9159.5 Ų59.542%0.42133%0.325SS..EExtended strand (participates in β ladder)trans-123.4130.9175.2-66.2-101.5000109.2I224 I225 T254 R282I224-H284 CarbonylContact O-C 3.54Å; I224-H284 VanDerWaalsContact O-CA 3.31Å; I224-H284 WeakPolarHBondContact O-CA 3.4Å; I225-H284 WeakPolarHBondContact CG1-ND1 3.22Å; T254-H284 WeakPolarHBondContact CG2-O 3.45Å; R282-H284 PolarHBondContact NH1-CE1 3.05Å; R282-H284 PolarHBondContact NH1-NE2 3.43Å; R282-H284 PolarHBondContact NH2-CE1 3.19Å; R282-H284 PolarHBondContact NH2-NE2 2.98Å
285L92.3Very high86.7Confident3 Ų355.5 Ų55.52%0.01631%0.311CS..EExtended strand (participates in β ladder)trans-105.2132.5171-56.1179.7000109.3I224 V241 Y243 F283 L297 F299I224-L285 HydrophobicContact CB-CB 4.14Å; I224-L285 HydrophobicContact CD1-CB 3.87Å; I224-L285 PolarHBondContact N-O 3.1Å; I224-L285 PolarHBondContact O-N 3.42Å; V241-L285 HydrophobicContact CB-CD2 4.41Å; V241-L285 HydrophobicContact CG1-CD2 4.03Å; Y243-L285 HydrophobicContact CD1-CD2 3.53Å; Y243-L285 HydrophobicContact CE1-CD2 3.9Å; Y243-L285 HydrophobicContact CG-CD2 3.96Å; F283-L285 HydrophobicContact CD2-CD1 4.47Å; F283-L285 HydrophobicContact CD2-CD2 3.94Å; F283-L285 HydrophobicContact CD2-CG 3.84Å; F283-L285 HydrophobicContact CE2-CD1 3.88Å; F283-L285 HydrophobicContact CE2-CD2 4.13Å; F283-L285 HydrophobicContact CE2-CG 3.74Å; L285-L297 HydrophobicContact CB-CD2 4.49Å; L285-L297 HydrophobicContact CD1-CD2 4.01Å; L285-F299 HydrophobicContact CD1-CB 4.27Å; L285-F299 HydrophobicContact CD1-CD1 4.02Å; L285-F299 HydrophobicContact CD1-CG 4.06Å
286P84.8Confident86.9Confident67 Ų6752.1 Ų52.144%0.43530%0.296SS..  trans-67142177.228.9-33.8000109.9Y243 F245Y243-P286 HydrophobicContact CE2-CG 4.15Å; Y243-P286 WeakPolarHBondContact OH-CG 3.45Å; F245-P286 WeakPolarHBondContact CZ-O 3.37Å
287V79.4Confident87.1Confident43 Ų4351.3 Ų51.326%0.26129%0.292SS..  trans-105.1111.4175177.60000107.4L189 I224 L291L189-V287 HydrophobicContact CD1-CG1 4.18Å; L189-V287 HydrophobicContact CD1-CG2 3.95Å; I224-V287 HydrophobicContact CD1-CG2 3.75Å; I224-V287 HydrophobicContact CG1-CG2 3.74Å; V287-L291 HydrophobicContact CG1-CD1 3.41Å; V287-L291 VanDerWaalsContact CG1-CD1 3.41Å
288P76.1Confident87.1Confident41 Ų4150.2 Ų50.227%0.26628%0.283SS..  trans-59.8133.2178.8-24.432.4000111.1F245 S290 L291F245-P288 HydrophobicContact CD1-CG 4.34Å; F245-P288 HydrophobicContact CD2-CG 4.32Å; F245-P288 HydrophobicContact CE1-CG 3.95Å; F245-P288 HydrophobicContact CE2-CG 3.93Å; F245-P288 HydrophobicContact CZ-CG 3.76Å; P288-S290 PolarHBondContact O-N 3.09Å; P288-L291 HydrophobicContact CB-CG 4.24Å; P288-L291 HydrophobicContact CG-CG 4.41Å; P288-L291 WeakPolarHBondContact O-CG 3.33Å; P288-L291 PolarHBondContact O-N 3.03Å
289P67.4Low87.2Confident101 Ų10150.2 Ų50.266%0.65628%0.283SS*.THydrogen-bonded Turntrans-66.7-8.6-177.124.7-33.5000113.8Y8Y8-P289 HydrophobicContact CE1-CB 4Å; Y8-P289 PolarHBondContact OH-O 3.03Å
290S67.9Low87.2Confident94 Ų9450.1 Ų50.166%0.65728%0.283SS*.THydrogen-bonded Turntrans-119.334.8-178.954.10000112.6P288 R292P288-S290 PolarHBondContact O-N 3.09Å; S290-R292 PolarHBondContact O-N 3.47Å
291L73.6Confident87.2Confident29 Ų2949.5 Ų49.515%0.15228%0.279CS..PPolyproline II helixtrans-62.1123.3171.3-82.3161.8000110.3L189 F245 V287 P288 A295L189-L291 HydrophobicContact CD1-CD1 4.08Å; L189-L291 HydrophobicContact CD2-CD1 4.3Å; L189-L291 HydrophobicContact CG-CD1 4.27Å; F245-L291 HydrophobicContact CD1-CD2 4.12Å; F245-L291 HydrophobicContact CE1-CD2 4.18Å; V287-L291 HydrophobicContact CG1-CD1 3.41Å; V287-L291 VanDerWaalsContact CG1-CD1 3.41Å; P288-L291 HydrophobicContact CB-CG 4.24Å; P288-L291 HydrophobicContact CG-CG 4.41Å; P288-L291 WeakPolarHBondContact O-CG 3.33Å; P288-L291 PolarHBondContact O-N 3.03Å; L291-A295 HydrophobicContact CD2-CB 3.78Å
292R78.6Confident87.2Confident204 Ų20449.5 Ų49.577%0.7728%0.279SS*.PPolyproline II helixtrans-81.5146.5172.5-69.6-172.6-73.8175.1-2.1109.6S290 G294 A295S290-R292 PolarHBondContact O-N 3.47Å; R292-G294 PolarHBondContact O-N 3.29Å; R292-A295 WeakPolarHBondContact O-CB 3.14Å; R292-A295 PolarHBondContact O-N 3.16Å
293P81.4Confident87.2Confident80 Ų8045 Ų4552%0.51926%0.262SS..THydrogen-bonded Turntrans-54.5135.3170.3-21.933.4000110A295 N325P293-A295 VanDerWaalsContact C-N 3.31Å; P293-N325 WeakPolarHBondContact CG-ND2 3.35Å; P293-N325 WeakPolarHBondContact CG-OD1 3.37Å
294G82.4Confident87.2Confident58 Ų5847.2 Ų47.260%0.59827%0.272SS*.THydrogen-bonded Turntrans83.7-4.9-174.100000115.1R292 C323R292-G294 PolarHBondContact O-N 3.29Å; G294-C323 PolarHBondContact N-O 2.82Å
295A87.6Confident87.3Confident30 Ų3043.1 Ų43.125%0.24825%0.253CS..  trans-61.9142169.900000110.5L291 R292 P293 C323L291-A295 HydrophobicContact CD2-CB 3.78Å; R292-A295 WeakPolarHBondContact O-CB 3.14Å; R292-A295 PolarHBondContact O-N 3.16Å; P293-A295 VanDerWaalsContact C-N 3.31Å; A295-C323 HydrophobicContact CB-CB 4.24Å; A295-C323 PolarHBondContact O-N 3.18Å
296Q91.3Very high87.4Confident68 Ų6847.6 Ų47.632%0.31828%0.283SS..EExtended strand (participates in β ladder)trans-118.6132.8-178.3-173167.4-6200110.3E298 K320 L321 V322Q296-E298 HydrophobicContact CG-CG 4.21Å; Q296-E298 PolarHBondContact NE2-OE1 3.4Å; Q296-K320 HydrophobicContact CG-CB 4.5Å; Q296-L321 CarbonylContact C-O 3.46Å; Q296-L321 WeakPolarHBondContact CA-O 3.49Å; Q296-V322 HydrophobicContact CB-CG2 4.48Å; Q296-V322 HydrophobicContact CG-CG2 4.23Å
297L93Very high87.9Confident0 Ų048.7 Ų48.70%031%0.307CS..EExtended strand (participates in β ladder)trans-102.8127.3166.9173.359.1000108.1I224 Y243 S244 F245 L285 K320 L321I224-L297 HydrophobicContact CD1-CD2 3.35Å; Y243-L297 HydrophobicContact CD2-CD1 3.91Å; Y243-L297 HydrophobicContact CG-CD1 4.38Å; S244-L297 WeakPolarHBondContact O-CD1 3.38Å; F245-L297 HydrophobicContact CD1-CB 4Å; F245-L297 HydrophobicContact CD1-CD1 3.93Å; F245-L297 HydrophobicContact CD1-CG 4.46Å; F245-L297 HydrophobicContact CD2-CD1 4.21Å; F245-L297 HydrophobicContact CE1-CB 3.79Å; F245-L297 HydrophobicContact CE1-CD1 3.67Å; F245-L297 HydrophobicContact CE1-CD2 3.93Å; F245-L297 HydrophobicContact CE1-CG 4Å; F245-L297 HydrophobicContact CE2-CD1 3.95Å; F245-L297 HydrophobicContact CG-CD1 4.19Å; F245-L297 HydrophobicContact CZ-CD1 3.65Å; F245-L297 HydrophobicContact CZ-CD2 3.98Å; F245-L297 HydrophobicContact CZ-CG 4.28Å; L285-L297 HydrophobicContact CB-CD2 4.49Å; L285-L297 HydrophobicContact CD1-CD2 4.01Å; L297-K320 CarbonylContact O-C 3.6Å; L297-K320 WeakPolarHBondContact O-CA 3.26Å; L297-L321 HydrophobicContact CB-CB 4.34Å; L297-L321 HydrophobicContact CD2-CD1 4.14Å; L297-L321 PolarHBondContact N-O 3.32Å; L297-L321 PolarHBondContact O-N 3.16Å
298E95.1Very high88.7Confident18 Ų1848.3 Ų48.38%0.08431%0.308CS..EExtended strand (participates in β ladder)trans-112.8143171-50.7-161.7-179.300110.1Y243 S244 W248 Q296 Y319 K320Y243-E298 CarbonylContact C-O 3.6Å; Y243-E298 WeakPolarHBondContact CA-O 3.37Å; Y243-E298 WeakPolarHBondContact CB-O 3.42Å; S244-E298 PolarHBondContact N-O 3.36Å; S244-E298 PolarHBondContact O-N 3.31Å; W248-E298 HydrophobicContact CZ2-CB 3.97Å; W248-E298 PolarHBondContact NE1-OE2 3.08Å; Q296-E298 HydrophobicContact CG-CG 4.21Å; Q296-E298 PolarHBondContact NE2-OE1 3.4Å; E298-Y319 CarbonylContact C-O 3.58Å; E298-Y319 VanDerWaalsContact CA-O 3.23Å; E298-Y319 WeakPolarHBondContact CA-O 3.41Å; E298-K320 HydrophobicContact CG-CG 4.12Å; E298-K320 WeakPolarHBondContact OE1-CE 3.31Å; E298-K320 IonicContact OE1-NZ 3.4Å
299F96.6Very high89.7Confident0 Ų051.5 Ų51.50%032%0.319CS..EExtended strand (participates in β ladder)trans-148.9157.4173.668.4-86.1000112.8L214 V217 V241 R242 F283 L285 Y319 L321L214-F299 HydrophobicContact CD1-CE2 4.32Å; L214-F299 HydrophobicContact CD2-CE2 3.77Å; L214-F299 HydrophobicContact CD2-CZ 3.75Å; V217-F299 HydrophobicContact CG2-CZ 3.86Å; V241-F299 HydrophobicContact CG1-CB 3.97Å; V241-F299 HydrophobicContact CG1-CD2 3.81Å; V241-F299 HydrophobicContact CG1-CG 4.24Å; R242-F299 CarbonylContact O-C 3.45Å; R242-F299 WeakPolarHBondContact O-CA 3.43Å; R242-F299 WeakPolarHBondContact O-CB 3.47Å; F283-F299 HydrophobicContact CE2-CE2 4.41Å; F283-F299 HydrophobicContact CZ-CD2 4.22Å; F283-F299 AromaticContact CZ-CE2 3.78Å; F283-F299 HydrophobicContact CZ-CE2 3.78Å; F283-F299 HydrophobicContact CZ-CZ 4.42Å; L285-F299 HydrophobicContact CD1-CB 4.27Å; L285-F299 HydrophobicContact CD1-CD1 4.02Å; L285-F299 HydrophobicContact CD1-CG 4.06Å; F299-Y319 HydrophobicContact CD2-CD2 4.25Å; F299-Y319 VanDerWaalsContact CE1-CB 3.44Å; F299-Y319 AromaticContact CE2-CD2 3.84Å; F299-Y319 HydrophobicContact CE2-CD2 3.84Å; F299-Y319 AromaticContact CE2-CG 3.92Å; F299-Y319 HydrophobicContact CE2-CG 3.92Å; F299-Y319 HydrophobicContact CZ-CD2 4.32Å; F299-Y319 AromaticContact CZ-CG 3.92Å; F299-Y319 HydrophobicContact CZ-CG 3.92Å; F299-Y319 PolarHBondContact N-O 3.1Å; F299-Y319 PolarHBondContact O-N 3.27Å; F299-L321 HydrophobicContact CE1-CD1 4.38Å; F299-L321 HydrophobicContact CE1-CD2 4.4Å; F299-L321 HydrophobicContact CE1-CG 4.17Å
300A97.3Very high91.1Very high4 Ų450 Ų503%0.03330%0.301CS..EExtended strand (participates in β ladder)trans-138.3155.4173.400000108.9R242 W248 W311 D312 N313R242-A300 PolarHBondContact N-O 2.93Å; R242-A300 PolarHBondContact O-N 3.48Å; W248-A300 HydrophobicContact CH2-CB 4.45Å; A300-W311 HydrophobicContact CB-CE3 4.4Å; A300-W311 HydrophobicContact CB-CZ3 4.49Å; A300-D312 WeakPolarHBondContact CA-O 3.41Å; A300-N313 HydrophobicContact CB-CB 4.09Å
301I97.9Very high92.5Very high0 Ų049.8 Ų49.80%029%0.286CS..EExtended strand (participates in β ladder)trans-110.8133.3-175.3-54.1155000109V212 L214 T228 V239 V241 W311 D312 Y319V212-I301 HydrophobicContact CG2-CB 4.29Å; V212-I301 HydrophobicContact CG2-CG2 3.76Å; L214-I301 HydrophobicContact CB-CD1 3.62Å; L214-I301 HydrophobicContact CD1-CD1 3.89Å; L214-I301 HydrophobicContact CG-CD1 4.26Å; T228-I301 HydrophobicContact CG2-CD1 3.98Å; T228-I301 HydrophobicContact CG2-CG2 3.97Å; T228-I301 WeakPolarHBondContact OG1-CD1 3.29Å; V239-I301 HydrophobicContact CG1-CG2 3.92Å; V241-I301 HydrophobicContact CG2-CG1 4.21Å; V241-I301 HydrophobicContact CG2-CG2 4.45Å; I301-W311 CarbonylContact O-C 3.6Å; I301-W311 WeakPolarHBondContact O-CA 3.35Å; I301-D312 HydrophobicContact CB-CB 4.37Å; I301-D312 PolarHBondContact N-O 2.9Å; I301-D312 PolarHBondContact O-N 2.83Å; I301-Y319 HydrophobicContact CD1-CE2 4.44Å
302Q97.9Very high93.6Very high12 Ų1248.4 Ų48.46%0.05628%0.279CS..EExtended strand (participates in β ladder)trans-109.2133.5173.7-170.4-178.334.400109V239 E240 K304 E309 Y310 W311V239-Q302 WeakPolarHBondContact CA-O 3.28Å; E240-Q302 PolarHBondContact N-O 3.25Å; E240-Q302 PolarHBondContact O-N 3.02Å; E240-Q302 PolarHBondContact OE2-OE1 3.19Å; Q302-K304 HydrophobicContact CG-CG 4.2Å; Q302-K304 VanDerWaalsContact NE2-CE 3.26Å; Q302-K304 VanDerWaalsContact OE1-CE 3.22Å; Q302-E309 VanDerWaalsContact NE2-CD 3.26Å; Q302-E309 PolarHBondContact NE2-OE1 3.34Å; Q302-E309 PolarHBondContact NE2-OE2 3.37Å; Q302-Y310 WeakPolarHBondContact CA-O 3.4Å; Q302-W311 HydrophobicContact CB-CD2 4.15Å; Q302-W311 HydrophobicContact CB-CE3 3.99Å; Q302-W311 HydrophobicContact CB-CH2 3.78Å; Q302-W311 HydrophobicContact CB-CZ2 3.95Å; Q302-W311 HydrophobicContact CB-CZ3 3.81Å; Q302-W311 HydrophobicContact CG-CD2 4.13Å; Q302-W311 HydrophobicContact CG-CE3 4.46Å; Q302-W311 HydrophobicContact CG-CH2 3.98Å; Q302-W311 HydrophobicContact CG-CZ2 3.61Å; Q302-W311 HydrophobicContact CG-CZ3 4.39Å
303Y98.2Very high94.4Very high0 Ų041.8 Ų41.80%026%0.259CS..EExtended strand (participates in β ladder)trans-123.3115.8173.4170.8-143.1000109.2K211 V212 V230 L231 K237 V239 V305 E309 Y310K211-Y303 HydrophobicContact CB-CD1 4.29Å; K211-Y303 HydrophobicContact CB-CE1 4.35Å; V212-Y303 HydrophobicContact CB-CD1 4.19Å; V212-Y303 HydrophobicContact CB-CG 4.37Å; V230-Y303 HydrophobicContact CB-CD1 3.94Å; V230-Y303 HydrophobicContact CB-CD2 4.3Å; V230-Y303 HydrophobicContact CB-CE1 3.81Å; V230-Y303 HydrophobicContact CB-CE2 4.21Å; V230-Y303 HydrophobicContact CB-CG 4.17Å; V230-Y303 HydrophobicContact CG1-CD1 4.02Å; V230-Y303 HydrophobicContact CG1-CD2 4.07Å; V230-Y303 HydrophobicContact CG1-CE1 4.38Å; V230-Y303 HydrophobicContact CG1-CE2 4.45Å; V230-Y303 HydrophobicContact CG1-CG 3.83Å; V230-Y303 HydrophobicContact CG2-CE1 4.5Å; V230-Y303 HydrophobicContact CG2-CE2 4.23Å; L231-Y303 PolarHBondContact O-OH 3.08Å; K237-Y303 HydrophobicContact CB-CE2 3.9Å; K237-Y303 HydrophobicContact CD-CE2 3.95Å; K237-Y303 WeakPolarHBondContact CD-OH 3.5Å; K237-Y303 HydrophobicContact CG-CE2 3.9Å; V239-Y303 HydrophobicContact CG2-CD2 3.88Å; Y303-V305 HydrophobicContact CD1-CG1 4.36Å; Y303-V305 HydrophobicContact CD2-CB 4.45Å; Y303-V305 HydrophobicContact CE1-CB 4.36Å; Y303-V305 HydrophobicContact CE1-CG1 3.68Å; Y303-V305 HydrophobicContact CE2-CB 3.63Å; Y303-V305 HydrophobicContact CE2-CG1 3.88Å; Y303-V305 HydrophobicContact CE2-CG2 4.41Å; Y303-V305 VanDerWaalsContact CZ-CG1 3.42Å; Y303-E309 CarbonylContact O-C 3.55Å; Y303-E309 WeakPolarHBondContact O-CA 3.48Å; Y303-Y310 AromaticContact CD1-CD2 3.92Å; Y303-Y310 HydrophobicContact CD1-CD2 3.92Å; Y303-Y310 HydrophobicContact CD1-CG 4.49Å; Y303-Y310 HydrophobicContact CE1-CD2 4.36Å; Y303-Y310 PolarHBondContact N-O 3.45Å; Y303-Y310 PolarHBondContact O-N 3.16Å
304K97.9Very high94.9Very high49 Ų4940.2 Ų40.221%0.21325%0.246CC..EExtended strand (participates in β ladder)trans-107.4128.5174.8-45.7-172.3-164.9124.20110.1E238 E240 Q302 A308 E309E238-K304 HydrophobicContact CB-CB 4.29Å; E238-K304 PolarHBondContact N-O 3.28Å; E238-K304 PolarHBondContact O-N 3.17Å; E238-K304 IonicContact OE2-NZ 2.95Å; E238-K304 PolarHBondContact OE2-NZ 3.2Å; E240-K304 IonicContact OE2-NZ 2.79Å; E240-K304 PolarHBondContact OE2-NZ 3.44Å; Q302-K304 HydrophobicContact CG-CG 4.2Å; Q302-K304 VanDerWaalsContact NE2-CE 3.26Å; Q302-K304 VanDerWaalsContact OE1-CE 3.22Å; K304-A308 VanDerWaalsContact CA-O 3.3Å; K304-A308 WeakPolarHBondContact CA-O 3.42Å; K304-E309 HydrophobicContact CD-CG 4.22Å; K304-E309 WeakPolarHBondContact CD-OE1 3.28Å; K304-E309 WeakPolarHBondContact CE-OE1 3.32Å; K304-E309 HydrophobicContact CG-CG 3.97Å
305V97.3Very high95.2Very high4 Ų442.7 Ų42.72%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-155.1138.5179.262.50000109.7L233 D234 K237 Y303 G307 A308 Y310L233-V305 HydrophobicContact CB-CG1 4.31Å; L233-V305 HydrophobicContact CB-CG2 4.09Å; L233-V305 HydrophobicContact CD1-CG1 3.92Å; D234-V305 HydrophobicContact CB-CG2 3.64Å; K237-V305 HydrophobicContact CG-CG2 4.37Å; Y303-V305 HydrophobicContact CD1-CG1 4.36Å; Y303-V305 HydrophobicContact CD2-CB 4.45Å; Y303-V305 HydrophobicContact CE1-CB 4.36Å; Y303-V305 HydrophobicContact CE1-CG1 3.68Å; Y303-V305 HydrophobicContact CE2-CB 3.63Å; Y303-V305 HydrophobicContact CE2-CG1 3.88Å; Y303-V305 HydrophobicContact CE2-CG2 4.41Å; Y303-V305 VanDerWaalsContact CZ-CG1 3.42Å; V305-G307 PolarHBondContact O-N 3.47Å; V305-A308 PolarHBondContact N-O 2.98Å; V305-A308 PolarHBondContact O-N 3.42Å; V305-Y310 HydrophobicContact CG1-CD2 4.18Å; V305-Y310 HydrophobicContact CG1-CE2 3.77Å
306C94.8Very high95.3Very high97 Ų9743.8 Ų43.866%0.65526%0.259SS*.THydrogen-bonded Turntrans51.331.3-178.8-62.20000114.7D234 A308D234-C306 WeakPolarHBondContact CB-SG 3.27Å; C306-A308 PolarHBondContact O-N 3.32Å
307G93.8Very high95.2Very high90 Ų9047.3 Ų47.393%0.92827%0.274SS*.THydrogen-bonded Turntrans73.74.4-176.400000115.4V305V305-G307 PolarHBondContact O-N 3.47Å
308A96.3Very high95.2Very high35 Ų3548.8 Ų48.829%0.28928%0.282SS..EExtended strand (participates in β ladder)trans-98.5151170.400000110.7K304 V305 C306 Y310K304-A308 VanDerWaalsContact CA-O 3.3Å; K304-A308 WeakPolarHBondContact CA-O 3.42Å; V305-A308 PolarHBondContact N-O 2.98Å; V305-A308 PolarHBondContact O-N 3.42Å; C306-A308 PolarHBondContact O-N 3.32Å; A308-Y310 HydrophobicContact CB-CE2 3.89Å
309E97Very high95.2Very high108 Ų10848 Ų4851%0.50528%0.278SS..EExtended strand (participates in β ladder)trans-119.4131.5175.5-53.9-164.5163.400110.9Q302 Y303 K304Q302-E309 VanDerWaalsContact NE2-CD 3.26Å; Q302-E309 PolarHBondContact NE2-OE1 3.34Å; Q302-E309 PolarHBondContact NE2-OE2 3.37Å; Y303-E309 CarbonylContact O-C 3.55Å; Y303-E309 WeakPolarHBondContact O-CA 3.48Å; K304-E309 HydrophobicContact CD-CG 4.22Å; K304-E309 WeakPolarHBondContact CD-OE1 3.28Å; K304-E309 WeakPolarHBondContact CE-OE1 3.32Å; K304-E309 HydrophobicContact CG-CG 3.97Å
310Y97.3Very high95.1Very high71 Ų7151.2 Ų51.228%0.27829%0.292SS..EExtended strand (participates in β ladder)trans-119.2143175.9-55.9-82.8000109.2K211 L233 Q302 Y303 V305 A308K211-Y310 HydrophobicContact CB-CD1 3.9Å; K211-Y310 HydrophobicContact CB-CD2 4.09Å; K211-Y310 HydrophobicContact CB-CE1 4.25Å; K211-Y310 HydrophobicContact CB-CE2 4.42Å; K211-Y310 HydrophobicContact CB-CG 3.81Å; K211-Y310 HydrophobicContact CG-CD1 3.6Å; K211-Y310 HydrophobicContact CG-CD2 4.37Å; K211-Y310 HydrophobicContact CG-CE1 3.54Å; K211-Y310 HydrophobicContact CG-CE2 4.32Å; K211-Y310 HydrophobicContact CG-CG 4.03Å; L233-Y310 HydrophobicContact CD1-CE2 4.23Å; Q302-Y310 WeakPolarHBondContact CA-O 3.4Å; Y303-Y310 AromaticContact CD1-CD2 3.92Å; Y303-Y310 HydrophobicContact CD1-CD2 3.92Å; Y303-Y310 HydrophobicContact CD1-CG 4.49Å; Y303-Y310 HydrophobicContact CE1-CD2 4.36Å; Y303-Y310 PolarHBondContact N-O 3.45Å; Y303-Y310 PolarHBondContact O-N 3.16Å; V305-Y310 HydrophobicContact CG1-CD2 4.18Å; V305-Y310 HydrophobicContact CG1-CE2 3.77Å; A308-Y310 HydrophobicContact CB-CE2 3.89Å
311W97.2Very high95Very high89 Ų8951 Ų5134%0.33729%0.29SS..EExtended strand (participates in β ladder)trans-126.4131.5-176.6-74.886.6000110.6R242 A300 I301 Q302R242-W311 HydrophobicContact CB-CZ3 4.43Å; A300-W311 HydrophobicContact CB-CE3 4.4Å; A300-W311 HydrophobicContact CB-CZ3 4.49Å; I301-W311 CarbonylContact O-C 3.6Å; I301-W311 WeakPolarHBondContact O-CA 3.35Å; Q302-W311 HydrophobicContact CB-CD2 4.15Å; Q302-W311 HydrophobicContact CB-CE3 3.99Å; Q302-W311 HydrophobicContact CB-CH2 3.78Å; Q302-W311 HydrophobicContact CB-CZ2 3.95Å; Q302-W311 HydrophobicContact CB-CZ3 3.81Å; Q302-W311 HydrophobicContact CG-CD2 4.13Å; Q302-W311 HydrophobicContact CG-CE3 4.46Å; Q302-W311 HydrophobicContact CG-CH2 3.98Å; Q302-W311 HydrophobicContact CG-CZ2 3.61Å; Q302-W311 HydrophobicContact CG-CZ3 4.39Å
312D96.8Very high94.7Very high0 Ų052.4 Ų52.40%030%0.299CS..EExtended strand (participates in β ladder)trans-107.5102.9163.5179.39.5000109.1V212 C213 L214 A300 I301 N314 Y319V212-D312 HydrophobicContact CG1-CB 4.08Å; V212-D312 HydrophobicContact CG2-CB 4.34Å; C213-D312 VanDerWaalsContact CA-OD2 3.22Å; C213-D312 WeakPolarHBondContact CA-OD2 3.48Å; L214-D312 PolarHBondContact N-OD2 3.06Å; A300-D312 WeakPolarHBondContact CA-O 3.41Å; I301-D312 HydrophobicContact CB-CB 4.37Å; I301-D312 PolarHBondContact N-O 2.9Å; I301-D312 PolarHBondContact O-N 2.83Å; D312-N314 PolarHBondContact OD1-N 2.91Å; D312-Y319 PolarHBondContact OD1-OH 2.73Å; D312-Y319 WeakPolarHBondContact OD2-CE2 3.32Å; D312-Y319 PolarHBondContact OD2-OH 2.86Å
313N94.8Very high94.2Very high64 Ų6452 Ų5234%0.34230%0.297SS..  trans-114.322.5175.967.74.6000111.6A300 D315 G316 K317 N318A300-N313 HydrophobicContact CB-CB 4.09Å; N313-D315 PolarHBondContact O-N 3.46Å; N313-D315 PolarHBondContact OD1-N 2.84Å; N313-G316 PolarHBondContact O-N 3.27Å; N313-G316 VanDerWaalsContact O-N 3.17Å; N313-G316 PolarHBondContact OD1-N 3.24Å; N313-K317 PolarHBondContact O-N 3.42Å; N313-N318 VanDerWaalsContact O-CA 3.23Å; N313-N318 WeakPolarHBondContact O-CA 3.47Å; N313-N318 PolarHBondContact O-N 3.42Å
314N92.5Very high93.5Very high47 Ų4755.2 Ų55.225%0.25131%0.312SS..THydrogen-bonded Turntrans52.252.8179.6-170.738.3000112.6D312 G316 K317 N318 Y319D312-N314 PolarHBondContact OD1-N 2.91Å; N314-G316 VanDerWaalsContact C-N 3.27Å; N314-G316 PolarHBondContact O-N 3.48Å; N314-K317 WeakPolarHBondContact O-CB 3.42Å; N314-K317 PolarHBondContact O-N 3.08Å; N314-N318 PolarHBondContact ND2-O 3.42Å; N314-N318 VanDerWaalsContact ND2-O 3.14Å; N314-Y319 HydrophobicContact CB-CD1 4.15Å; N314-Y319 HydrophobicContact CB-CD2 4.31Å; N314-Y319 HydrophobicContact CB-CE1 3.82Å; N314-Y319 HydrophobicContact CB-CE2 4.03Å; N314-Y319 HydrophobicContact CB-CG 4.38Å
315D88.9Confident92.7Very high110 Ų11055.3 Ų55.359%0.58832%0.315SS*.THydrogen-bonded Turntrans54.140.8-177.5-52.1-43.1000113.5Q210 N313 K317Q210-D315 PolarHBondContact NE2-OD1 2.84Å; N313-D315 PolarHBondContact O-N 3.46Å; N313-D315 PolarHBondContact OD1-N 2.84Å; D315-K317 VanDerWaalsContact C-N 3.27Å; D315-K317 PolarHBondContact O-N 3.06Å
316G88.9Confident91.3Very high53 Ų5361.1 Ų61.155%0.54634%0.337SS..THydrogen-bonded Turntrans78.4-0-179.300000115.3N313 N314N313-G316 PolarHBondContact O-N 3.27Å; N313-G316 VanDerWaalsContact O-N 3.17Å; N313-G316 PolarHBondContact OD1-N 3.24Å; N314-G316 VanDerWaalsContact C-N 3.27Å; N314-G316 PolarHBondContact O-N 3.48Å
317K89.1Confident90.1Very high143 Ų14362.8 Ų62.862%0.62233%0.334SS*.THydrogen-bonded Turntrans-84.7-18176.7-63.8173.1-175.4163.70113N313 N314 D315 K320N313-K317 PolarHBondContact O-N 3.42Å; N314-K317 WeakPolarHBondContact O-CB 3.42Å; N314-K317 PolarHBondContact O-N 3.08Å; D315-K317 VanDerWaalsContact C-N 3.27Å; D315-K317 PolarHBondContact O-N 3.06Å; K317-K320 VanDerWaalsContact O-CE 3.26Å; K317-K320 WeakPolarHBondContact O-CE 3.42Å
318N93.9Very high88.8Confident30 Ų3062.1 Ų62.116%0.1631%0.308CS..  trans57.3166.5-165.9-58.1-40.3000113.1W248 N313 N314W248-N318 HydrophobicContact CZ2-CB 4.39Å; W248-N318 WeakPolarHBondContact CZ2-ND2 3.41Å; W248-N318 PolarHBondContact NE1-ND2 3.32Å; N313-N318 VanDerWaalsContact O-CA 3.23Å; N313-N318 WeakPolarHBondContact O-CA 3.47Å; N313-N318 PolarHBondContact O-N 3.42Å; N314-N318 PolarHBondContact ND2-O 3.42Å; N314-N318 VanDerWaalsContact ND2-O 3.14Å
319Y95.4Very high87.2Confident1 Ų163.5 Ų63.50%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-86.3129.6170-66-70.4000109.9P197 L214 E298 F299 I301 D312 N314P197-Y319 HydrophobicContact CB-CE1 4.39Å; P197-Y319 HydrophobicContact CG-CD1 4.41Å; P197-Y319 HydrophobicContact CG-CE1 3.69Å; L214-Y319 HydrophobicContact CB-CD2 4.36Å; L214-Y319 HydrophobicContact CB-CE1 4.12Å; L214-Y319 HydrophobicContact CB-CE2 3.63Å; L214-Y319 VanDerWaalsContact CB-CZ 3.49Å; L214-Y319 HydrophobicContact CD2-CD1 3.46Å; L214-Y319 VanDerWaalsContact CD2-CD1 3.46Å; L214-Y319 HydrophobicContact CD2-CD2 3.68Å; L214-Y319 HydrophobicContact CD2-CE1 3.56Å; L214-Y319 HydrophobicContact CD2-CE2 3.74Å; L214-Y319 HydrophobicContact CD2-CG 3.52Å; L214-Y319 HydrophobicContact CG-CE1 4.45Å; L214-Y319 HydrophobicContact CG-CE2 4.37Å; E298-Y319 CarbonylContact C-O 3.58Å; E298-Y319 VanDerWaalsContact CA-O 3.23Å; E298-Y319 WeakPolarHBondContact CA-O 3.41Å; F299-Y319 HydrophobicContact CD2-CD2 4.25Å; F299-Y319 VanDerWaalsContact CE1-CB 3.44Å; F299-Y319 AromaticContact CE2-CD2 3.84Å; F299-Y319 HydrophobicContact CE2-CD2 3.84Å; F299-Y319 AromaticContact CE2-CG 3.92Å; F299-Y319 HydrophobicContact CE2-CG 3.92Å; F299-Y319 HydrophobicContact CZ-CD2 4.32Å; F299-Y319 AromaticContact CZ-CG 3.92Å; F299-Y319 HydrophobicContact CZ-CG 3.92Å; F299-Y319 PolarHBondContact N-O 3.1Å; F299-Y319 PolarHBondContact O-N 3.27Å; I301-Y319 HydrophobicContact CD1-CE2 4.44Å; D312-Y319 PolarHBondContact OD1-OH 2.73Å; D312-Y319 WeakPolarHBondContact OD2-CE2 3.32Å; D312-Y319 PolarHBondContact OD2-OH 2.86Å; N314-Y319 HydrophobicContact CB-CD1 4.15Å; N314-Y319 HydrophobicContact CB-CD2 4.31Å; N314-Y319 HydrophobicContact CB-CE1 3.82Å; N314-Y319 HydrophobicContact CB-CE2 4.03Å; N314-Y319 HydrophobicContact CB-CG 4.38Å
320K94.7Very high85.6Confident69 Ų6959.1 Ų59.130%0.330%0.3SS..EExtended strand (participates in β ladder)trans-121.1132-173.1-66.8177.9172.61790110.9V192 Q296 L297 E298 K317V192-K320 HydrophobicContact CB-CB 4.02Å; V192-K320 HydrophobicContact CG2-CB 4.09Å; V192-K320 PolarHBondContact N-O 3.34Å; Q296-K320 HydrophobicContact CG-CB 4.5Å; L297-K320 CarbonylContact O-C 3.6Å; L297-K320 WeakPolarHBondContact O-CA 3.26Å; E298-K320 HydrophobicContact CG-CG 4.12Å; E298-K320 WeakPolarHBondContact OE1-CE 3.31Å; E298-K320 IonicContact OE1-NZ 3.4Å; K317-K320 VanDerWaalsContact O-CE 3.26Å; K317-K320 WeakPolarHBondContact O-CE 3.42Å
321L93.4Very high83.9Confident0 Ų058.7 Ų58.70%031%0.306CS..EExtended strand (participates in β ladder)trans-119.8133.6168.9-46.8-178.4000108.7L189 K190 P191 V217 I224 Q296 L297 F299L189-L321 HydrophobicContact CB-CB 4.43Å; L189-L321 HydrophobicContact CD2-CB 4.41Å; K190-L321 CarbonylContact O-C 3.59Å; K190-L321 WeakPolarHBondContact O-CA 3.49Å; P191-L321 VanDerWaalsContact CA-CD2 3.45Å; P191-L321 HydrophobicContact CB-CD2 3.61Å; P191-L321 HydrophobicContact CG-CD2 3.81Å; V217-L321 HydrophobicContact CG1-CD1 4.25Å; V217-L321 HydrophobicContact CG1-CD2 4.16Å; I224-L321 HydrophobicContact CB-CD1 4.48Å; I224-L321 HydrophobicContact CD1-CD1 3.86Å; I224-L321 HydrophobicContact CG1-CD1 3.95Å; I224-L321 HydrophobicContact CG2-CD1 3.72Å; Q296-L321 CarbonylContact C-O 3.46Å; Q296-L321 WeakPolarHBondContact CA-O 3.49Å; L297-L321 HydrophobicContact CB-CB 4.34Å; L297-L321 HydrophobicContact CD2-CD1 4.14Å; L297-L321 PolarHBondContact N-O 3.32Å; L297-L321 PolarHBondContact O-N 3.16Å; F299-L321 HydrophobicContact CE1-CD1 4.38Å; F299-L321 HydrophobicContact CE1-CD2 4.4Å; F299-L321 HydrophobicContact CE1-CG 4.17Å
322V91.8Very high82Confident28 Ų2861.6 Ų61.617%0.1732%0.321CS..EExtended strand (participates in β ladder)trans-113.2135179.8170.80000110K190 V192 Q296 Q324K190-V322 PolarHBondContact N-O 3.17Å; K190-V322 PolarHBondContact O-N 3.43Å; V192-V322 HydrophobicContact CG2-CB 4.04Å; V192-V322 HydrophobicContact CG2-CG2 3.43Å; V192-V322 VanDerWaalsContact CG2-CG2 3.43Å; Q296-V322 HydrophobicContact CB-CG2 4.48Å; Q296-V322 HydrophobicContact CG-CG2 4.23Å; V322-Q324 HydrophobicContact CG1-CG 4.32Å; V322-Q324 PolarHBondContact O-N 3.15Å
323C88.5Confident80.2Confident3 Ų368.6 Ų68.62%0.0235%0.354CS..EExtended strand (participates in β ladder)trans-74.6119.4173.4-174.80000109.8Y188 L189 G294 A295Y188-C323 CarbonylContact O-C 3.55Å; Y188-C323 WeakPolarHBondContact O-CA 3.31Å; L189-C323 HydrophobicContact CD2-CB 3.9Å; G294-C323 PolarHBondContact N-O 2.82Å; A295-C323 HydrophobicContact CB-CB 4.24Å; A295-C323 PolarHBondContact O-N 3.18Å
324Q83.7Confident78.1Confident68 Ų6868.4 Ų68.432%0.31836%0.357SS..EExtended strand (participates in β ladder)trans-118.3154.6175.5-64.9-177.41.500108.8P187 Y188 V322P187-Q324 CarbonylContact C-O 3.45Å; P187-Q324 WeakPolarHBondContact CA-O 3.46Å; Y188-Q324 HydrophobicContact CD1-CB 4.23Å; Y188-Q324 WeakPolarHBondContact CD1-O 3.5Å; Y188-Q324 HydrophobicContact CE1-CB 3.57Å; Y188-Q324 HydrophobicContact CE2-CB 4.29Å; Y188-Q324 PolarHBondContact N-O 3.47Å; Y188-Q324 PolarHBondContact O-N 3.26Å; Y188-Q324 PolarHBondContact OH-OE1 3.34Å; V322-Q324 HydrophobicContact CG1-CG 4.32Å; V322-Q324 PolarHBondContact O-N 3.15Å
325N80.1Confident76.3Confident52 Ų5269.1 Ų69.128%0.27836%0.359SS..EExtended strand (participates in β ladder)trans-104.4124.6172.1-79.62.2000109.2N185 L186 P187 P293 K327N185-N325 HydrophobicContact CB-CB 4.48Å; N185-N325 PolarHBondContact OD1-ND2 2.78Å; L186-N325 WeakPolarHBondContact O-CA 3.33Å; P187-N325 WeakPolarHBondContact CA-OD1 3.25Å; P293-N325 WeakPolarHBondContact CG-ND2 3.35Å; P293-N325 WeakPolarHBondContact CG-OD1 3.37Å; N325-K327 PolarHBondContact O-N 2.86Å
326Y68.8Low74.4Confident125 Ų12568.9 Ų68.949%0.4936%0.358SS..EExtended strand (participates in β ladder)trans-73.7122.1159.5-79.6-64.4000108N185 L186 Y188N185-Y326 WeakPolarHBondContact CA-O 3.35Å; L186-Y326 PolarHBondContact N-O 2.85Å; L186-Y326 PolarHBondContact O-N 2.74Å; Y188-Y326 AromaticContact CD1-CD2 3.04Å; Y188-Y326 HydrophobicContact CD1-CD2 3.04Å; Y188-Y326 AromaticContact CD1-CE2 3.22Å; Y188-Y326 HydrophobicContact CD1-CE2 3.22Å; Y188-Y326 AromaticContact CD1-CG 3.85Å; Y188-Y326 HydrophobicContact CD1-CG 3.85Å; Y188-Y326 HydrophobicContact CD2-CD2 4.29Å; Y188-Y326 AromaticContact CD2-CE2 3.6Å; Y188-Y326 HydrophobicContact CD2-CE2 3.6Å; Y188-Y326 AromaticContact CE1-CD1 3.93Å; Y188-Y326 HydrophobicContact CE1-CD1 3.93Å; Y188-Y326 AromaticContact CE1-CD2 3.04Å; Y188-Y326 HydrophobicContact CE1-CD2 3.04Å; Y188-Y326 AromaticContact CE1-CE1 3.93Å; Y188-Y326 HydrophobicContact CE1-CE1 3.93Å; Y188-Y326 AromaticContact CE1-CE2 3.06Å; Y188-Y326 HydrophobicContact CE1-CE2 3.06Å; Y188-Y326 AromaticContact CE1-CG 3.48Å; Y188-Y326 HydrophobicContact CE1-CG 3.48Å; Y188-Y326 VanDerWaalsContact CE1-CG 3.48Å; Y188-Y326 AromaticContact CE1-CZ 3.51Å; Y188-Y326 HydrophobicContact CE2-CD2 4.28Å; Y188-Y326 AromaticContact CE2-CE2 3.44Å; Y188-Y326 HydrophobicContact CE2-CE2 3.44Å; Y188-Y326 VanDerWaalsContact CE2-CE2 3.44Å; Y188-Y326 AromaticContact CE2-CZ 3.62Å; Y188-Y326 WeakPolarHBondContact CE2-OH 3.42Å; Y188-Y326 AromaticContact CG-CD2 3.71Å; Y188-Y326 HydrophobicContact CG-CD2 3.71Å; Y188-Y326 AromaticContact CG-CE2 3.49Å; Y188-Y326 HydrophobicContact CG-CE2 3.49Å; Y188-Y326 VanDerWaalsContact CG-CE2 3.49Å; Y188-Y326 AromaticContact CZ-CD2 3.7Å; Y188-Y326 AromaticContact CZ-CE1 3.8Å; Y188-Y326 AromaticContact CZ-CE2 3.16Å; Y188-Y326 AromaticContact CZ-CZ 3.19Å; Y188-Y326 VanDerWaalsContact OH-CZ 3.31Å; Y188-Y326 PolarHBondContact OH-OH 2.84Å
327K68.9Low72.6Confident133 Ų13369.8 Ų69.858%0.57836%0.356SS*.EExtended strand (participates in β ladder)trans-85.7104.9166.9-70.2-175.9169.1-130.90107.9E183 N325E183-K327 IonicContact OE1-NZ 3.41Å; E183-K327 PolarHBondContact OE1-NZ 2.86Å; E183-K327 IonicContact OE2-NZ 3.58Å; E183-K327 PolarHBondContact OE2-NZ 3.05Å; N325-K327 PolarHBondContact O-N 2.86Å
328L66.3Low70.7Confident75 Ų7567 Ų6739%0.39335%0.345SS..EExtended strand (participates in β ladder)trans-92.3116.2168.6-61.6-179.5000108.6I184 L186 V330I184-L328 HydrophobicContact CB-CB 4.27Å; I184-L328 PolarHBondContact N-O 2.85Å; I184-L328 PolarHBondContact O-N 2.81Å; L186-L328 HydrophobicContact CD1-CD1 3.53Å; L186-L328 HydrophobicContact CD1-CG 4.37Å; L186-L328 HydrophobicContact CG-CD1 4.47Å; L328-V330 PolarHBondContact O-N 3.14Å
329A64.2Low68.6Low65 Ų6568.8 Ų68.854%0.53736%0.358SS..EExtended strand (participates in β ladder)trans-69.5115.1165.200000108.1H181 P331H181-A329 VanDerWaalsContact CD2-CA 3.5Å; H181-A329 WeakPolarHBondContact CD2-CA 3.46Å; H181-A329 VanDerWaalsContact NE2-C 3.26Å; H181-A329 WeakPolarHBondContact NE2-CA 3.14Å; H181-A329 WeakPolarHBondContact NE2-CB 3.46Å; A329-P331 VanDerWaalsContact O-CD 3.26Å; A329-P331 WeakPolarHBondContact O-CD 3.25Å
330V61.6Low66.1Low15 Ų1576.2 Ų76.29%0.09139%0.392CS..  trans-67.6112.8178.1171.90000109.2H181 L182 I184 L328 K332 C334H181-V330 PolarHBondContact CE1-O 2.86Å; H181-V330 PolarHBondContact NE2-N 2.92Å; H181-V330 VanDerWaalsContact NE2-N 3.19Å; H181-V330 PolarHBondContact NE2-O 2.72Å; L182-V330 HydrophobicContact CB-CB 4.08Å; L182-V330 HydrophobicContact CB-CG2 3.75Å; L182-V330 WeakPolarHBondContact O-CG2 3.24Å; L182-V330 PolarHBondContact O-N 3.01Å; I184-V330 HydrophobicContact CD1-CG2 3.69Å; I184-V330 HydrophobicContact CG1-CG2 3.8Å; L328-V330 PolarHBondContact O-N 3.14Å; V330-K332 PolarHBondContact O-N 2.9Å; V330-C334 HydrophobicContact CG1-CB 3.77Å
331P61.8Low63.4Low62 Ų6281 Ų8140%0.40341%0.413SS..  trans-51.8138.8-179.1-25.134.6000111.5A329 E333 C334A329-P331 VanDerWaalsContact O-CD 3.26Å; A329-P331 WeakPolarHBondContact O-CD 3.25Å; P331-E333 PolarHBondContact O-N 3.19Å; P331-C334 WeakPolarHBondContact O-CA 3.47Å; P331-C334 WeakPolarHBondContact O-CB 3.46Å; P331-C334 PolarHBondContact O-N 3.38Å
332K58.3Low60.7Low151 Ų15189.5 Ų89.566%0.65746%0.457SS*.Hα-helixtrans-55-29.3-176.4-66.9-172.8175.4-173.50113V330 C334 E335 D336V330-K332 PolarHBondContact O-N 2.9Å; K332-C334 PolarHBondContact O-N 3.24Å; K332-E335 WeakPolarHBondContact O-CB 3.45Å; K332-E335 PolarHBondContact O-N 2.8Å; K332-E335 VanDerWaalsContact O-N 3.09Å; K332-D336 PolarHBondContact O-N 2.98Å
333E58.2Low59.2Low146 Ų14692.6 Ų92.668%0.68247%0.471SS*.Hα-helixtrans-64.1-25.2175.3-52.1111.3-137.800113.6P331 S337P331-E333 PolarHBondContact O-N 3.19Å; E333-S337 PolarHBondContact O-OG 3.11Å
334C51.1Low57.6Low60 Ų6097.3 Ų97.341%0.40550%0.495SS..Hα-helixtrans-82.9-24.3173.5-70.20000112.7V330 P331 K332 D336 S337 M338V330-C334 HydrophobicContact CG1-CB 3.77Å; P331-C334 WeakPolarHBondContact O-CA 3.47Å; P331-C334 WeakPolarHBondContact O-CB 3.46Å; P331-C334 PolarHBondContact O-N 3.38Å; K332-C334 PolarHBondContact O-N 3.24Å; C334-D336 VanDerWaalsContact C-N 3.32Å; C334-S337 PolarHBondContact O-N 2.82Å; C334-M338 WeakPolarHBondContact O-CG 3.2Å; C334-M338 PolarHBondContact O-N 3.02Å
335E54.2Low56.2Low62 Ų6298.9 Ų98.929%0.2951%0.505SS..Hα-helixtrans-60.2-47.1172.1-62.2174.517300108.8H181 K332 S337 M338 V339H181-E335 IonicContact CE1-OE1 2.95Å; H181-E335 IonicContact ND1-OE1 2.68Å; H181-E335 PolarHBondContact ND1-OE1 3.38Å; H181-E335 VanDerWaalsContact ND1-OE1 3.08Å; K332-E335 WeakPolarHBondContact O-CB 3.45Å; K332-E335 PolarHBondContact O-N 2.8Å; K332-E335 VanDerWaalsContact O-N 3.09Å; E335-S337 PolarHBondContact O-N 3.08Å; E335-M338 PolarHBondContact O-N 3.23Å; E335-V339 WeakPolarHBondContact O-CG2 3.21Å
336D50.3Low54.8Low106 Ų106101.7 Ų101.757%0.56752%0.518SS*.Hα-helixtrans-66-35.5178.5-69.4-29.1000113.7K332 C334 M338 V339 H340K332-D336 PolarHBondContact O-N 2.98Å; C334-D336 VanDerWaalsContact C-N 3.32Å; D336-M338 VanDerWaalsContact C-N 3.31Å; D336-M338 PolarHBondContact O-N 3.11Å; D336-V339 WeakPolarHBondContact O-CB 3.46Å; D336-V339 WeakPolarHBondContact O-CG2 3.1Å; D336-V339 PolarHBondContact O-N 3.2Å; D336-V339 VanDerWaalsContact O-N 3.17Å; D336-H340 PolarHBondContact O-CD2 3.39Å
337S50.7Low53.9Low72 Ų72100.3 Ų100.350%0.50352%0.52SS..Hα-helixtrans-70.7-24.6177.3-66.50000113.5E333 C334 E335 V339E333-S337 PolarHBondContact O-OG 3.11Å; C334-S337 PolarHBondContact O-N 2.82Å; E335-S337 PolarHBondContact O-N 3.08Å; S337-V339 VanDerWaalsContact C-N 3.26Å
338M49.1Very low52.9Low83 Ų8398.1 Ų98.141%0.40952%0.516SS..Hα-helixtrans-74.4-17172.3-75.2176.138.200112.9M176 L182 C334 E335 D336M176-M338 HydrophobicContact SD-CE 4.06Å; L182-M338 HydrophobicContact CD2-CE 4.3Å; C334-M338 WeakPolarHBondContact O-CG 3.2Å; C334-M338 PolarHBondContact O-N 3.02Å; E335-M338 PolarHBondContact O-N 3.23Å; D336-M338 VanDerWaalsContact C-N 3.31Å; D336-M338 PolarHBondContact O-N 3.11Å
339V49.7Very low52Low69 Ų6999.7 Ų99.742%0.41853%0.525SS..Hα-helixtrans-85.3-16179.8-152.20000112.2E335 D336 S337 F341 I342E335-V339 WeakPolarHBondContact O-CG2 3.21Å; D336-V339 WeakPolarHBondContact O-CB 3.46Å; D336-V339 WeakPolarHBondContact O-CG2 3.1Å; D336-V339 PolarHBondContact O-N 3.2Å; D336-V339 VanDerWaalsContact O-N 3.17Å; S337-V339 VanDerWaalsContact C-N 3.26Å; V339-F341 VanDerWaalsContact C-N 3.33Å; V339-F341 PolarHBondContact O-N 3.39Å; V339-I342 HydrophobicContact CG1-CD1 3.62Å; V339-I342 VanDerWaalsContact O-CD1 3.25Å; V339-I342 WeakPolarHBondContact O-CD1 3.41Å; V339-I342 WeakPolarHBondContact O-CG1 3.27Å
340H42.7Very low51Low157 Ų157102.4 Ų102.473%0.72752%0.524SS*.THydrogen-bonded Turntrans-83.3-0-174.1-77.3-63000115.8D336D336-H340 PolarHBondContact O-CD2 3.39Å
341F38.6Very low50.1Low170 Ų170109.7 Ų109.775%0.74656%0.56SS**THydrogen-bonded Turntrans-100.826.6173-64.6-81.2000112.9R169 V339R169-F341 PolarHBondContact NH1-O 3.29Å; R169-F341 PolarHBondContact NH2-O 3.27Å; V339-F341 VanDerWaalsContact C-N 3.33Å; V339-F341 PolarHBondContact O-N 3.39Å
342I37.2Very low49.1Very low178 Ų178114 Ų11491%0.91357%0.574SS**  trans-70.30174.7-67.5170.3000111.4V339V339-I342 HydrophobicContact CG1-CD1 3.62Å; V339-I342 VanDerWaalsContact O-CD1 3.25Å; V339-I342 WeakPolarHBondContact O-CD1 3.41Å; V339-I342 WeakPolarHBondContact O-CG1 3.27Å

Retrieved 342 of 342 residues in 137.6 ms (Link to these results)