A0A061HWM4_CRIGR Loading...

Norrin

Activates the canonical Wnt signaling pathway through FZD4 and LRP5 coreceptor. Plays a central role in retinal vascularization by acting as a ligand for FZD4 that signals via stabilizing beta-catenin (CTNNB1) and activating LEF/TCF-mediated transcriptional programs. Acts in concert with TSPAN12 to activate FZD4 independently of the Wnt-dependent activation of FZD4, suggesting the existence of a Wnt-independent signaling that also promote accumulation the beta-catenin (CTNNB1). May be involved in a pathway that regulates neural cell differentiation and proliferation. Possible role in neuroectodermal cell-cell interaction.

AlphaFold DB (P48744), UniProt , Accession A0A061HWM4, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Ndp, Length 131 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
1M43.7Very low52.4Low244 Ų244148.8 Ų148.8100%1.20283%0.826SS**  01200-65.5177.3-158.400108.5
2R42.7Very low53.1Low222 Ų222151.2 Ų151.284%0.83883%0.83SS**  trans32.1111.7145.7-96.2172.877.2175.51.9118.8
3N49.4Very low53.4Low131 Ų131150.3 Ų150.370%0.70182%0.823SS**  170122.685.7-86.7-23.1000109.5
4H53.1Low53.6Low184 Ų184146 Ų14685%0.85281%0.809SS**  trans-72.6135169.7-76-87.4000110.3
5V52.6Low53.6Low141 Ų141146.1 Ų146.186%0.85581%0.807SS**  trans-78.4115.9161.8177.20000106.5
6L58.1Low53.7Low166 Ų166145.8 Ų145.887%0.86980%0.802SS**  trans-111.3113.7169.6-82.5168.3000109.2
7A58.4Low53.7Low92 Ų92142.5 Ų142.576%0.7680%0.799SS**  trans-66.7156.4179.100000112.1
8A52.8Low53.8Low104 Ų104143 Ų14386%0.8680%0.797SS**  trans-58.5135.5178.100000113.5
9S55.6Low54.1Low113 Ų113143.8 Ų143.879%0.7980%0.797SS**  trans-144.483.6156.663.90000108.6S11S9-S11 PolarHBondContact O-N 3.48Å
10I57.3Low53.8Low169 Ų169140 Ų14087%0.86779%0.791SS**  trans-91.1103.8167.4-65.8172.9000107.5
11S52.5Low53.7Low71 Ų71141 Ų14150%0.49779%0.794SS.*  trans-11.6114.8165.1-1550000117.5S9 L13S9-S11 PolarHBondContact O-N 3.48Å; S11-L13 PolarHBondContact O-N 3.26Å; S11-L13 WeakPolarHBondContact OG-CD1 3.48Å
12M61.7Low54.1Low177 Ų177135.6 Ų135.687%0.87278%0.775SS**G310 helixtrans-72.67.5165-77.7-74.9-74.900113.6
13L57Low54.5Low140 Ų140130.7 Ų130.773%0.73377%0.766SS**G310 helixtrans-83-7-175.2-82.8100.4000115.4S11S11-L13 PolarHBondContact O-N 3.26Å; S11-L13 WeakPolarHBondContact OG-CD1 3.48Å
14S56.1Low54.8Low90 Ų90129.9 Ų129.963%0.62977%0.77SS**G310 helixtrans-85.1-9.2-173.9-51.40000115.1
15L53.2Low54.8Low148 Ų148130 Ų13078%0.77577%0.768SS**G310 helixtrans-88.6-14.8-177.3-104.384.6000115.1
16L54.8Low54.8Low141 Ų141126.9 Ų126.974%0.73875%0.75SS**G310 helixtrans-83.7-11.4-177.9-82.8156.5000113.9I18L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.4Å
17A53.4Low54.5Low90 Ų90123.9 Ų123.974%0.74473%0.734SS**G310 helixtrans-81.8-3.4-17600000114.9
18I57Low54.3Low151 Ų151122.6 Ų122.677%0.77472%0.72SS**G310 helixtrans-103.9-4-172.7-53.6-179.9000113L16L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.4Å
19M58.3Low54.4Low159 Ų159120.9 Ų120.978%0.78370%0.702SS**SBendtrans-104.921.2-175.8-60.1-164.8-59.500114.8
20G48.3Very low54.4Low66 Ų66122.7 Ų122.768%0.6870%0.696SS**SBendtrans-94.3-21.6-163.600000119
21D51.8Low54.4Low162 Ų162120.1 Ų120.187%0.86668%0.683SS**SBendtrans-149.233.1-153.8-116-18.6000117.9
22T51.3Low54.6Low130 Ų130123.3 Ų123.380%0.79869%0.692SS**  trans-146.794.2172.852.40000111.1
23D51.8Low54.5Low119 Ų119118.7 Ų118.764%0.63667%0.671SS**  trans-176.54142.2-107.2-22.4000118.2K25D23-K25 PolarHBondContact O-N 3.22Å
24S55.2Low55.1Low114 Ų114115 Ų11580%0.79766%0.657SS**THydrogen-bonded Turntrans-78.7-9.4-172.3-42.20000116.6
25K53.7Low56.7Low187 Ų187115.5 Ų115.581%0.81365%0.649SS**THydrogen-bonded Turntrans-95.6-23.3-177.1-78.1-177.2178.3171.40114.2D23 S28D23-K25 PolarHBondContact O-N 3.22Å; K25-S28 PolarHBondContact O-OG 3.49Å
26T53Low58.7Low75 Ų75115.1 Ų115.146%0.4664%0.637SS.*Hα-helixtrans-79.2-34.3-178-30.40000110.8S28 S29 F30T26-S28 VanDerWaalsContact C-N 3.34Å; T26-S28 PolarHBondContact O-N 2.88Å; T26-S29 PolarHBondContact O-N 2.04Å; T26-S29 PolarHBondContact O-OG 2.78Å; T26-F30 HydrophobicContact CG2-CE2 4.43Å; T26-F30 WeakPolarHBondContact O-CD2 3.5Å
27D51.3Low60.7Low103 Ų103109.5 Ų109.555%0.55161%0.609SS**Hα-helixtrans-66.6-32.9178-78.5-22.3000113.2S29 F30 L31D27-S29 VanDerWaalsContact C-N 3.34Å; D27-S29 PolarHBondContact O-N 3.38Å; D27-F30 PolarHBondContact O-N 3.39Å; D27-L31 VanDerWaalsContact O-CG 3.28Å; D27-L31 WeakPolarHBondContact O-CG 3.4Å; D27-L31 PolarHBondContact O-N 2.91Å
28S54.4Low62.8Low65 Ų65108.5 Ų108.546%0.45559%0.59SS.*Hα-helixtrans-67.3-34.1-177.672.10000112.7K25 T26 L31 M32K25-S28 PolarHBondContact O-OG 3.49Å; T26-S28 VanDerWaalsContact C-N 3.34Å; T26-S28 PolarHBondContact O-N 2.88Å; S28-L31 PolarHBondContact O-N 3.24Å; S28-M32 WeakPolarHBondContact O-CB 3.46Å; S28-M32 WeakPolarHBondContact O-CG 3.42Å; S28-M32 PolarHBondContact O-N 3.37Å
29S55.8Low64.7Low69 Ų69105.1 Ų105.148%0.48357%0.568SS.*Hα-helixtrans-70.1-36.1179.755.60000112.4T26 D27 D33T26-S29 PolarHBondContact O-N 2.04Å; T26-S29 PolarHBondContact O-OG 2.78Å; D27-S29 VanDerWaalsContact C-N 3.34Å; D27-S29 PolarHBondContact O-N 3.38Å; S29-D33 PolarHBondContact O-N 2.9Å; S29-D33 VanDerWaalsContact O-N 3.14Å
30F54.5Low66.6Low151 Ų15199.8 Ų99.866%0.66254%0.541SS*.Hα-helixtrans-71.8-37.7175.5-76.5-78.3000112.1T26 D27 D33 S34T26-F30 HydrophobicContact CG2-CE2 4.43Å; T26-F30 WeakPolarHBondContact O-CD2 3.5Å; D27-F30 PolarHBondContact O-N 3.39Å; F30-D33 PolarHBondContact O-N 2.81Å; F30-S34 PolarHBondContact O-N 2.77Å
31L58.2Low68.9Low114 Ų114101.3 Ų101.360%0.59753%0.53SS*.Hα-helixtrans-67.2-36.1175.8-69.8171000112.4D27 S28 S34D27-L31 VanDerWaalsContact O-CG 3.28Å; D27-L31 WeakPolarHBondContact O-CG 3.4Å; D27-L31 PolarHBondContact O-N 2.91Å; S28-L31 PolarHBondContact O-N 3.24Å; L31-S34 PolarHBondContact O-N 3.19Å
32M56.4Low71.2Confident139 Ų13997.7 Ų97.769%0.68551%0.505SS*.Hα-helixtrans-70-41.1176.6-72-72.5105.700112.2S28 S34 Q35S28-M32 WeakPolarHBondContact O-CB 3.46Å; S28-M32 WeakPolarHBondContact O-CG 3.42Å; S28-M32 PolarHBondContact O-N 3.37Å; M32-S34 PolarHBondContact O-N 3.01Å; M32-Q35 PolarHBondContact O-N 3.42Å
33D59.8Low73.4Confident80 Ų8095.6 Ų95.643%0.42849%0.492SS..Hα-helixtrans-68.3-23.4177.8-159.842.7000112.4S29 F30 Q35 R36S29-D33 PolarHBondContact O-N 2.9Å; S29-D33 VanDerWaalsContact O-N 3.14Å; F30-D33 PolarHBondContact O-N 2.81Å; D33-Q35 VanDerWaalsContact C-N 3.26Å; D33-Q35 PolarHBondContact O-N 2.85Å; D33-R36 WeakPolarHBondContact O-CG 3.12Å; D33-R36 WeakPolarHBondContact OD1-CD 3.37Å; D33-R36 IonicContact OD1-CZ 3.64Å; D33-R36 IonicContact OD1-NE 3.23Å; D33-R36 PolarHBondContact OD1-NE 3.03Å; D33-R36 IonicContact OD1-NH1 3.72Å; D33-R36 IonicContact OD1-NH2 3.68Å; D33-R36 PolarHBondContact OD1-NH2 3.05Å; D33-R36 VanDerWaalsContact OD1-NH2 3.12Å; D33-R36 IonicContact OD2-CZ 3.12Å; D33-R36 IonicContact OD2-NE 2.85Å; D33-R36 IonicContact OD2-NH2 3.8Å; D33-R36 PolarHBondContact OD2-NH2 2.77Å
34S69.7Low75.6Confident62 Ų6293.7 Ų93.743%0.43448%0.481SS..THydrogen-bonded Turntrans-74.6-12177.2-169.30000114.2F30 L31 M32F30-S34 PolarHBondContact O-N 2.77Å; L31-S34 PolarHBondContact O-N 3.19Å; M32-S34 PolarHBondContact O-N 3.01Å
35Q88.9Confident77.6Confident101 Ų10190.5 Ų90.547%0.47246%0.459SS..THydrogen-bonded Turntrans-94.9-9.5-177.5-66.7-60.8-32.900113.5M32 D33 G65 H66M32-Q35 PolarHBondContact O-N 3.42Å; D33-Q35 VanDerWaalsContact C-N 3.26Å; D33-Q35 PolarHBondContact O-N 2.85Å; Q35-G65 CarbonylContact O-C 3.53Å; Q35-G65 WeakPolarHBondContact O-CA 3.3Å; Q35-H66 WeakPolarHBondContact O-CB 3.09Å; Q35-H66 PolarHBondContact O-N 3.05Å; Q35-H66 PolarHBondContact O-ND1 3.29Å; Q35-H66 VanDerWaalsContact O-ND1 3.14Å; Q35-H66 PolarHBondContact OE1-CE1 3.43Å; Q35-H66 PolarHBondContact OE1-ND1 3.05Å
36R94.9Very high79.7Confident139 Ų13983.1 Ų83.153%0.52543%0.428SS..BIsolated β-bridgetrans-73.6156.7177.975-173.2165.3161-18111.4D33 M38 H66D33-R36 WeakPolarHBondContact O-CG 3.12Å; D33-R36 WeakPolarHBondContact OD1-CD 3.37Å; D33-R36 IonicContact OD1-CZ 3.64Å; D33-R36 IonicContact OD1-NE 3.23Å; D33-R36 PolarHBondContact OD1-NE 3.03Å; D33-R36 IonicContact OD1-NH1 3.72Å; D33-R36 IonicContact OD1-NH2 3.68Å; D33-R36 PolarHBondContact OD1-NH2 3.05Å; D33-R36 VanDerWaalsContact OD1-NH2 3.12Å; D33-R36 IonicContact OD2-CZ 3.12Å; D33-R36 IonicContact OD2-NE 2.85Å; D33-R36 IonicContact OD2-NH2 3.8Å; D33-R36 PolarHBondContact OD2-NH2 2.77Å; R36-M38 PolarHBondContact O-N 3.38Å; R36-H66 CarbonylContact C-O 3.54Å; R36-H66 WeakPolarHBondContact CA-O 3.46Å
37C97.2Very high81.8Confident23 Ų2382.7 Ų82.716%0.15543%0.429CS..SBendtrans-53.9114.1171.91780000111.7E64 H66 C94 C126C37-E64 WeakPolarHBondContact CA-O 3.5Å; C37-H66 PolarHBondContact N-O 3Å; C37-C94 WeakPolarHBondContact CA-SG 3.39Å; C37-C94 HydrophobicContact CB-CB 3.65Å; C37-C94 WeakPolarHBondContact CB-SG 3.27Å; C37-C94 WeakPolarHBondContact SG-CA 3.4Å; C37-C94 WeakPolarHBondContact SG-CB 3.46Å; C37-C94 CovalentContact SG-SG 2.03Å; C37-C94 PolarHBondContact SG-SG 2.88Å; C37-C126 VanDerWaalsContact CB-SG 3.55Å
38M96.6Very high83.9Confident70 Ų7080.5 Ų80.535%0.34542%0.415SS..EExtended strand (participates in β ladder)trans-146.7171.4-178.768.8-177.3-7200112.6R36 H40 C63 E64R36-M38 PolarHBondContact O-N 3.38Å; M38-H40 WeakPolarHBondContact CG-NE2 3.47Å; M38-C63 WeakPolarHBondContact O-CA 3.36Å; M38-E64 PolarHBondContact N-O 3.33Å; M38-E64 PolarHBondContact O-N 3.44Å; M38-E64 VanDerWaalsContact O-N 3.1Å
39R98Very high86Confident80 Ų8083 Ų8330%0.30243%0.429SS..EExtended strand (participates in β ladder)trans-95.7121-178.3-172173.772.296.57.1110.5H41 A61 I121 L122R39-H41 PolarHBondContact NH1-CE1 3.1Å; R39-H41 PolarHBondContact NH1-NE2 2.73Å; R39-H41 PolarHBondContact NH2-CE1 2.8Å; R39-H41 PolarHBondContact NH2-NE2 2.64Å; R39-A61 HydrophobicContact CG-CB 4.09Å; R39-I121 WeakPolarHBondContact CD-O 3.37Å; R39-I121 HydrophobicContact CG-CG2 4.44Å; R39-I121 PolarHBondContact NH1-O 3.38Å; R39-L122 VanDerWaalsContact CD-O 3.25Å; R39-L122 WeakPolarHBondContact CD-O 3.26Å; R39-L122 PolarHBondContact NE-O 3.47Å
40H97.2Very high87.9Confident47 Ų4786.9 Ų86.922%0.21844%0.444CS..EExtended strand (participates in β ladder)trans-108.4136.9176.6-61.8-99.1000110.8M38 A61 R62M38-H40 WeakPolarHBondContact CG-NE2 3.47Å; H40-A61 CarbonylContact O-C 3.52Å; H40-A61 VanDerWaalsContact O-CA 3.24Å; H40-A61 WeakPolarHBondContact O-CA 3.4Å; H40-R62 HydrophobicContact CB-CG 4.19Å; H40-R62 PolarHBondContact N-O 3Å; H40-R62 PolarHBondContact O-N 3.03Å
41H98.2Very high89.8Confident97 Ų9785.6 Ų85.645%0.44944%0.436SS..EExtended strand (participates in β ladder)trans-91.5144.3172.6-64.194.1000110.5R39 L59 L60 Y120R39-H41 PolarHBondContact NH1-CE1 3.1Å; R39-H41 PolarHBondContact NH1-NE2 2.73Å; R39-H41 PolarHBondContact NH2-CE1 2.8Å; R39-H41 PolarHBondContact NH2-NE2 2.64Å; H41-L59 HydrophobicContact CB-CD1 4.18Å; H41-L60 WeakPolarHBondContact CA-O 3.16Å; H41-Y120 PolarHBondContact CD2-OH 3.34Å; H41-Y120 PolarHBondContact NE2-OH 3.46Å
42Y98.6Very high91.6Very high86 Ų8688.5 Ų88.534%0.33744%0.444SS..EExtended strand (participates in β ladder)trans-151.4159.1172.869.1-74.9000109.9D44 L60 R62Y42-D44 HydrophobicContact CD2-CB 4.14Å; Y42-D44 HydrophobicContact CE2-CB 3.84Å; Y42-L60 HydrophobicContact CD1-CB 4.06Å; Y42-L60 HydrophobicContact CD2-CB 4.42Å; Y42-L60 HydrophobicContact CE1-CB 3.53Å; Y42-L60 HydrophobicContact CE2-CB 3.96Å; Y42-L60 HydrophobicContact CE2-CD1 3.81Å; Y42-L60 HydrophobicContact CE2-CG 4.48Å; Y42-L60 HydrophobicContact CG-CB 4.47Å; Y42-L60 VanDerWaalsContact CZ-CB 3.49Å; Y42-L60 PolarHBondContact N-O 2.81Å; Y42-L60 PolarHBondContact O-N 3.47Å; Y42-L60 VanDerWaalsContact O-O 3.12Å; Y42-L60 WeakPolarHBondContact OH-CD1 3.2Å; Y42-R62 HydrophobicContact CD1-CB 4.33Å; Y42-R62 HydrophobicContact CD1-CG 3.87Å; Y42-R62 HydrophobicContact CE1-CB 3.8Å; Y42-R62 HydrophobicContact CE1-CG 3.83Å
43V98.2Very high93.5Very high86 Ų8682.9 Ų82.952%0.52142%0.418SS..EExtended strand (participates in β ladder)trans-108.1134.3175-177.90000108.4M57 V58 L59V43-M57 HydrophobicContact CG1-CB 4.13Å; V43-M57 HydrophobicContact CG1-CE 3.67Å; V43-V58 WeakPolarHBondContact CA-O 3.45Å; V43-L59 HydrophobicContact CG2-CD1 3.99Å
44D98.1Very high95.3Very high79 Ų7982.1 Ų82.142%0.42242%0.418SS..EExtended strand (participates in β ladder)trans-136.1157.6178-16411.6000111.8Y42 M57 V58 L60Y42-D44 HydrophobicContact CD2-CB 4.14Å; Y42-D44 HydrophobicContact CE2-CB 3.84Å; D44-M57 CarbonylContact O-C 3.5Å; D44-M57 WeakPolarHBondContact O-CA 3.45Å; D44-V58 PolarHBondContact N-O 3.43Å; D44-V58 PolarHBondContact O-N 2.86Å; D44-L60 HydrophobicContact CB-CD1 3.75Å
45S97.7Very high96.6Very high47 Ų4782.6 Ų82.633%0.32942%0.422SS..EExtended strand (participates in β ladder)trans-95.1107.7179.5177.80000110.7S47 S55S45-S47 PolarHBondContact O-N 2.88Å; S45-S55 WeakPolarHBondContact OG-CB 3.46Å
46I97.3Very high97Very high32 Ų3282.9 Ų82.916%0.16442%0.421CS..EExtended strand (participates in β ladder)trans-79.7116.5172.3-58.3-174.7000108.9S55 K56 V58 L104 L106 A116 Y118I46-S55 WeakPolarHBondContact O-CA 3.24Å; I46-K56 PolarHBondContact N-O 3.26Å; I46-K56 PolarHBondContact O-N 3.5Å; I46-V58 HydrophobicContact CD1-CB 4.17Å; I46-V58 HydrophobicContact CD1-CG1 4.44Å; I46-V58 HydrophobicContact CD1-CG2 3.85Å; I46-V58 HydrophobicContact CG1-CB 4.43Å; I46-V58 HydrophobicContact CG1-CG2 4.14Å; I46-L104 HydrophobicContact CB-CD2 4.36Å; I46-L104 HydrophobicContact CD1-CD2 4.28Å; I46-L106 HydrophobicContact CG2-CD1 4.44Å; I46-A116 HydrophobicContact CG2-CB 4.11Å; I46-Y118 HydrophobicContact CD1-CD1 4.07Å; I46-Y118 HydrophobicContact CD1-CE1 4.2Å
47S96.7Very high97.1Very high67 Ų6782.2 Ų82.247%0.46943%0.426SS..  trans-126.3155.4174.264.40000110.5S45S45-S47 PolarHBondContact O-N 2.88Å
48H96.8Very high97.1Very high57 Ų5781.9 Ų81.926%0.26442%0.423SS..  trans-85.6130.2174.9-169.6-67.3000109L50 Y51 C53 L106 L114H48-L50 VanDerWaalsContact C-N 3.33Å; H48-L50 PolarHBondContact ND1-N 3.5Å; H48-L50 PolarHBondContact O-N 2.9Å; H48-Y51 AromaticContact CD2-CD2 3.99Å; H48-Y51 AromaticContact CE1-CD2 3.2Å; H48-Y51 WeakPolarHBondContact CE1-CD2 3.37Å; H48-Y51 AromaticContact CE1-CE2 3.77Å; H48-Y51 AromaticContact ND1-CD2 3.53Å; H48-Y51 PolarHBondContact ND1-N 3.24Å; H48-Y51 AromaticContact NE2-CD2 3.47Å; H48-Y51 WeakPolarHBondContact NE2-CD2 3.46Å; H48-Y51 AromaticContact NE2-CE2 3.95Å; H48-C53 HydrophobicContact CB-CB 4.17Å; H48-L106 HydrophobicContact CB-CD1 4.41Å; H48-L114 VanDerWaalsContact CD2-CD1 3.45Å; H48-L114 WeakPolarHBondContact CD2-CD1 3.36Å
49P96.8Very high97.2Very high117 Ų11782.8 Ų82.876%0.7643%0.429SS*.SBendtrans-68.2-28.8-172.524.5-34.8000114.3
50L96Very high97.2Very high151 Ų15179.9 Ų79.979%0.79142%0.419SS*.SBendtrans-107.7-53.2-177.7-57.6174.2000114.1H48H48-L50 VanDerWaalsContact C-N 3.33Å; H48-L50 PolarHBondContact ND1-N 3.5Å; H48-L50 PolarHBondContact O-N 2.9Å
51Y95.3Very high97.3Very high124 Ų12478 Ų7849%0.48641%0.412SS..SBendtrans-77.7141.1-178.8-59.9-70.5000113.1H48 C53 M112 L114H48-Y51 AromaticContact CD2-CD2 3.99Å; H48-Y51 AromaticContact CE1-CD2 3.2Å; H48-Y51 WeakPolarHBondContact CE1-CD2 3.37Å; H48-Y51 AromaticContact CE1-CE2 3.77Å; H48-Y51 AromaticContact ND1-CD2 3.53Å; H48-Y51 PolarHBondContact ND1-N 3.24Å; H48-Y51 AromaticContact NE2-CD2 3.47Å; H48-Y51 WeakPolarHBondContact NE2-CD2 3.46Å; H48-Y51 AromaticContact NE2-CE2 3.95Å; Y51-C53 PolarHBondContact O-N 3.41Å; Y51-M112 HydrophobicContact CD1-CE 3.9Å; Y51-M112 HydrophobicContact CD2-CE 4.31Å; Y51-M112 HydrophobicContact CE1-CE 4.26Å; Y51-M112 HydrophobicContact CG-CE 3.94Å; Y51-L114 HydrophobicContact CD2-CD1 3.53Å; Y51-L114 HydrophobicContact CE2-CD1 4.25Å; Y51-L114 HydrophobicContact CG-CD1 4.12Å
52K95.6Very high97.3Very high175 Ų17577.9 Ų77.976%0.76141%0.408SS*.  trans-69.492.5171.2-170.3178-175.3176.40110C108 S109K52-C108 CarbonylContact O-C 3.59Å; K52-C108 WeakPolarHBondContact O-CA 3.38Å; K52-S109 PolarHBondContact O-N 2.99Å
53C97.1Very high97.3Very high21 Ų2175 Ų7514%0.14240%0.4CS..BIsolated β-bridgetrans-116.4155.2177.7-52.40000111.9H48 Y51 S55 L106 R107 C108H48-C53 HydrophobicContact CB-CB 4.17Å; Y51-C53 PolarHBondContact O-N 3.41Å; C53-S55 PolarHBondContact O-N 3.31Å; C53-L106 HydrophobicContact CB-CB 4.22Å; C53-L106 HydrophobicContact CB-CD1 4.5Å; C53-R107 CarbonylContact C-O 3.56Å; C53-R107 VanDerWaalsContact CA-O 3.3Å; C53-R107 WeakPolarHBondContact CA-O 3.28Å; C53-C108 HydrophobicContact CB-CB 4Å; C53-C108 WeakPolarHBondContact CB-SG 3.17Å; C53-C108 WeakPolarHBondContact SG-CB 3.27Å; C53-C108 CovalentContact SG-SG 2.04Å; C53-C108 PolarHBondContact SG-SG 2.95Å
54S96.4Very high97.3Very high63 Ų6375.3 Ų75.344%0.44140%0.395SS..  trans-64.7114.617063.20000109.5R107S54-R107 PolarHBondContact N-O 3.49Å; S54-R107 PolarHBondContact OG-N 3.21Å; S54-R107 PolarHBondContact OG-O 3.44Å
55S96.6Very high97.1Very high73 Ų7372.8 Ų72.851%0.5139%0.388SS..  trans-62.3147.3172.2-53.60000110.7S45 I46 C53S45-S55 WeakPolarHBondContact OG-CB 3.46Å; I46-S55 WeakPolarHBondContact O-CA 3.24Å; C53-S55 PolarHBondContact O-N 3.31Å
56K97.5Very high97.1Very high106 Ų10676.5 Ų76.546%0.46140%0.4SS..EExtended strand (participates in β ladder)trans-134.3130177.6-165.3-176.8-176.9175.50111.6I46 L104 L106I46-K56 PolarHBondContact N-O 3.26Å; I46-K56 PolarHBondContact O-N 3.5Å; K56-L104 HydrophobicContact CB-CD2 4.03Å; K56-L104 HydrophobicContact CD-CD1 3.31Å; K56-L104 HydrophobicContact CD-CD2 3.73Å; K56-L104 HydrophobicContact CD-CG 4.08Å; K56-L104 HydrophobicContact CG-CD2 4.37Å; K56-L106 HydrophobicContact CB-CD2 4.22Å
57M97.8Very high97Very high125 Ų12576.2 Ų76.262%0.61640%0.401SS*.EExtended strand (participates in β ladder)trans-72131.7172.1-60.7-59.5-81.600110.7V43 D44V43-M57 HydrophobicContact CG1-CB 4.13Å; V43-M57 HydrophobicContact CG1-CE 3.67Å; D44-M57 CarbonylContact O-C 3.5Å; D44-M57 WeakPolarHBondContact O-CA 3.45Å
58V97.8Very high96.9Very high16 Ų1678.6 Ų78.610%0.09742%0.417CS..EExtended strand (participates in β ladder)trans-136.7135-177.1179.40000110V43 D44 I46 L60 L104 Y118V43-V58 WeakPolarHBondContact CA-O 3.45Å; D44-V58 PolarHBondContact N-O 3.43Å; D44-V58 PolarHBondContact O-N 2.86Å; I46-V58 HydrophobicContact CD1-CB 4.17Å; I46-V58 HydrophobicContact CD1-CG1 4.44Å; I46-V58 HydrophobicContact CD1-CG2 3.85Å; I46-V58 HydrophobicContact CG1-CB 4.43Å; I46-V58 HydrophobicContact CG1-CG2 4.14Å; V58-L60 HydrophobicContact CG1-CD2 3.95Å; V58-L60 HydrophobicContact CG1-CG 4.39Å; V58-L60 PolarHBondContact O-N 3.19Å; V58-L104 HydrophobicContact CG2-CD2 3.82Å; V58-Y118 HydrophobicContact CG1-CE1 4.27Å; V58-Y118 HydrophobicContact CG1-CE2 4.36Å; V58-Y118 VanDerWaalsContact CG1-OH 3.27Å; V58-Y118 WeakPolarHBondContact CG1-OH 3.19Å
59L98Very high96.7Very high89 Ų8979.8 Ų79.847%0.46642%0.423SS..EExtended strand (participates in β ladder)trans-72.9119.1168.2-176.970.1000109.7H41 V43 Y120H41-L59 HydrophobicContact CB-CD1 4.18Å; V43-L59 HydrophobicContact CG2-CD1 3.99Å; L59-Y120 WeakPolarHBondContact O-CE2 3.29Å
60L98.5Very high96.6Very high19 Ų1978.4 Ų78.410%0.09942%0.421CS..EExtended strand (participates in β ladder)trans-114.3169.6177-62.4177.6000110.2H41 Y42 D44 V58 Y118H41-L60 WeakPolarHBondContact CA-O 3.16Å; Y42-L60 HydrophobicContact CD1-CB 4.06Å; Y42-L60 HydrophobicContact CD2-CB 4.42Å; Y42-L60 HydrophobicContact CE1-CB 3.53Å; Y42-L60 HydrophobicContact CE2-CB 3.96Å; Y42-L60 HydrophobicContact CE2-CD1 3.81Å; Y42-L60 HydrophobicContact CE2-CG 4.48Å; Y42-L60 HydrophobicContact CG-CB 4.47Å; Y42-L60 VanDerWaalsContact CZ-CB 3.49Å; Y42-L60 PolarHBondContact N-O 2.81Å; Y42-L60 PolarHBondContact O-N 3.47Å; Y42-L60 VanDerWaalsContact O-O 3.12Å; Y42-L60 WeakPolarHBondContact OH-CD1 3.2Å; D44-L60 HydrophobicContact CB-CD1 3.75Å; V58-L60 HydrophobicContact CG1-CD2 3.95Å; V58-L60 HydrophobicContact CG1-CG 4.39Å; V58-L60 PolarHBondContact O-N 3.19Å; L60-Y118 HydrophobicContact CD2-CD2 3.58Å; L60-Y118 HydrophobicContact CD2-CE2 3.46Å; L60-Y118 VanDerWaalsContact CD2-CE2 3.46Å; L60-Y118 HydrophobicContact CD2-CG 4.37Å
61A98.5Very high96.6Very high8 Ų875.4 Ų75.47%0.06641%0.413CS..EExtended strand (participates in β ladder)trans-132.5149.317200000109R39 H40 Y120 I121R39-A61 HydrophobicContact CG-CB 4.09Å; H40-A61 CarbonylContact O-C 3.52Å; H40-A61 VanDerWaalsContact O-CA 3.24Å; H40-A61 WeakPolarHBondContact O-CA 3.4Å; A61-Y120 HydrophobicContact CB-CE2 4.33Å; A61-I121 HydrophobicContact CB-CB 4.06Å; A61-I121 WeakPolarHBondContact O-CD1 3.49Å
62R98.3Very high96.7Very high95 Ų9576.5 Ų76.536%0.35842%0.416SS..EExtended strand (participates in β ladder)trans-136.6155.6175.760.3-169.4-173.180.410110.3H40 Y42 E64H40-R62 HydrophobicContact CB-CG 4.19Å; H40-R62 PolarHBondContact N-O 3Å; H40-R62 PolarHBondContact O-N 3.03Å; Y42-R62 HydrophobicContact CD1-CB 4.33Å; Y42-R62 HydrophobicContact CD1-CG 3.87Å; Y42-R62 HydrophobicContact CE1-CB 3.8Å; Y42-R62 HydrophobicContact CE1-CG 3.83Å; R62-E64 IonicContact CZ-OE2 2.8Å; R62-E64 IonicContact NH1-OE1 3.11Å; R62-E64 PolarHBondContact NH1-OE1 3.49Å; R62-E64 IonicContact NH1-OE2 3.02Å; R62-E64 PolarHBondContact NH1-OE2 2.8Å; R62-E64 IonicContact NH2-OE2 3.66Å; R62-E64 PolarHBondContact NH2-OE2 3.38Å
63C98.1Very high96.7Very high25 Ų2571.7 Ų71.717%0.16941%0.405CS..EExtended strand (participates in β ladder)trans-97.8130.2172.4-59.90000109M38 R95 C124M38-C63 WeakPolarHBondContact O-CA 3.36Å; C63-R95 VanDerWaalsContact SG-C 3.58Å; C63-C124 WeakPolarHBondContact CA-SG 3.29Å; C63-C124 HydrophobicContact CB-CB 3.69Å; C63-C124 WeakPolarHBondContact CB-SG 3.41Å; C63-C124 WeakPolarHBondContact SG-CB 3.39Å; C63-C124 CovalentContact SG-SG 2.03Å; C63-C124 PolarHBondContact SG-SG 3.47Å
64E97.5Very high96.6Very high92 Ų9275 Ų7543%0.4342%0.418SS..EExtended strand (participates in β ladder)trans-148.4152.5177.9178.2170.6-130.200109.6C37 M38 R62C37-E64 WeakPolarHBondContact CA-O 3.5Å; M38-E64 PolarHBondContact N-O 3.33Å; M38-E64 PolarHBondContact O-N 3.44Å; M38-E64 VanDerWaalsContact O-N 3.1Å; R62-E64 IonicContact CZ-OE2 2.8Å; R62-E64 IonicContact NH1-OE1 3.11Å; R62-E64 PolarHBondContact NH1-OE1 3.49Å; R62-E64 IonicContact NH1-OE2 3.02Å; R62-E64 PolarHBondContact NH1-OE2 2.8Å; R62-E64 IonicContact NH2-OE2 3.66Å; R62-E64 PolarHBondContact NH2-OE2 3.38Å
65G95.8Very high96.4Very high26 Ų2676.8 Ų76.827%0.26843%0.428SS..SBendtrans125.8177.3177.200000112.6Q35Q35-G65 CarbonylContact O-C 3.53Å; Q35-G65 WeakPolarHBondContact O-CA 3.3Å
66H96.2Very high96.2Very high126 Ų12677.4 Ų77.458%0.58343%0.425SS*.BIsolated β-bridgetrans-96137.8-176.4-59.384.8000110.5Q35 R36 C37Q35-H66 WeakPolarHBondContact O-CB 3.09Å; Q35-H66 PolarHBondContact O-N 3.05Å; Q35-H66 PolarHBondContact O-ND1 3.29Å; Q35-H66 VanDerWaalsContact O-ND1 3.14Å; Q35-H66 PolarHBondContact OE1-CE1 3.43Å; Q35-H66 PolarHBondContact OE1-ND1 3.05Å; R36-H66 CarbonylContact C-O 3.54Å; R36-H66 WeakPolarHBondContact CA-O 3.46Å; C37-H66 PolarHBondContact N-O 3Å
67C96.1Very high95.8Very high26 Ų2678.3 Ų78.318%0.17644%0.439CS..  trans-81.4145.5168.9-670000110Q69 H92 C126C67-Q69 VanDerWaalsContact C-N 3.26Å; C67-Q69 PolarHBondContact O-N 3.14Å; C67-H92 HydrophobicContact CB-CB 3.75Å; C67-C126 WeakPolarHBondContact CA-SG 3.35Å; C67-C126 HydrophobicContact CB-CB 3.79Å; C67-C126 WeakPolarHBondContact CB-SG 3.01Å; C67-C126 WeakPolarHBondContact SG-CB 3.5Å; C67-C126 CovalentContact SG-SG 2.03Å; C67-C126 PolarHBondContact SG-SG 2.73Å
68S94.3Very high95.3Very high117 Ų11775 Ų7582%0.81843%0.429SS*.SBendtrans-71.6-23.6-179.652.40000112.6
69Q93.7Very high94.8Very high82 Ų8283.9 Ų83.938%0.38347%0.466SS..SBendtrans-77.4120.9177.3-57.189.3-23.100110.9C67 H92C67-Q69 VanDerWaalsContact C-N 3.26Å; C67-Q69 PolarHBondContact O-N 3.14Å; Q69-H92 HydrophobicContact CB-CB 4.26Å
70A94.5Very high94.3Very high88 Ų8883.1 Ų83.173%0.72747%0.469SS*.PPolyproline II helixtrans-64.6138.5171.900000111.2
71S95.9Very high93.6Very high87 Ų8789.2 Ų89.261%0.60851%0.507SS*.PPolyproline II helixtrans-73.1138.4170.256.90000110.7S90S71-S90 CarbonylContact C-O 3.52Å; S71-S90 VanDerWaalsContact CA-O 3.29Å; S71-S90 WeakPolarHBondContact CA-O 3.45Å
72R95.9Very high92.7Very high147 Ų14793 Ų9356%0.55553%0.528SS*.EExtended strand (participates in β ladder)trans-139.8154.2178.957.7176.1172.8173.3-6.2111.7E74 S89 S90R72-E74 IonicContact NH1-OE1 3.53Å; R72-E74 PolarHBondContact NH1-OE1 3.24Å; R72-S89 CarbonylContact O-C 3.56Å; R72-S89 VanDerWaalsContact O-CA 3.24Å; R72-S89 WeakPolarHBondContact O-CA 3.33Å; R72-S90 PolarHBondContact N-O 3.4Å; R72-S90 PolarHBondContact O-N 3.38Å
73S95.8Very high91.7Very high75 Ų7593.2 Ų93.252%0.52454%0.537SS..EExtended strand (participates in β ladder)trans-144.4112.7172.8-173.40000108.7F87S73-F87 WeakPolarHBondContact OG-CB 3.38Å
74E94.7Very high90.8Very high91 Ų91101.2 Ų101.243%0.42557%0.569SS.*EExtended strand (participates in β ladder)trans-109.9138-177.1-67.7167.1-161.900109.4R72 F87 R88R72-E74 IonicContact NH1-OE1 3.53Å; R72-E74 PolarHBondContact NH1-OE1 3.24Å; E74-F87 CarbonylContact O-C 3.59Å; E74-F87 VanDerWaalsContact O-CA 3.26Å; E74-F87 WeakPolarHBondContact O-CA 3.41Å; E74-R88 PolarHBondContact N-O 3.34Å; E74-R88 PolarHBondContact O-N 3.14Å
75P93.8Very high90.3Very high100 Ų100102 Ų10265%0.64957%0.572SS**EExtended strand (participates in β ladder)trans-68.7144.2177.729.8-34.6000111.4F87P75-F87 HydrophobicContact CB-CD1 4.37Å; P75-F87 HydrophobicContact CB-CE1 4.37Å
76L90.6Very high90Very high85 Ų85103 Ų10345%0.44557%0.574SS.*PPolyproline II helixtrans-103123.2173-68.8175.8000109.9P86 R88L76-P86 PolarHBondContact N-O 2.87Å; L76-R88 HydrophobicContact CD1-CB 4.21Å; L76-R88 HydrophobicContact CD2-CB 3.99Å; L76-R88 HydrophobicContact CG-CB 4.12Å
77V89.2Confident89.8Confident125 Ų125101.8 Ų101.876%0.75857%0.567SS**PPolyproline II helixtrans-83.9120.5172.9-178.30000108.6F79V77-F79 HydrophobicContact CG1-CE2 4.28Å; V77-F79 HydrophobicContact CG1-CZ 4.15Å
78S88.5Confident89.6Confident57 Ų57108.9 Ų108.940%0.39959%0.59SS.*  trans-121.1131174.8-177.70000109.7S80S78-S80 VanDerWaalsContact C-N 3.34Å; S78-S80 WeakPolarHBondContact OG-CB 3.25Å; S78-S80 PolarHBondContact OG-N 2.84Å
79F87.2Confident89.5Confident201 Ų201106.1 Ų106.188%0.88257%0.571SS**  trans-91.1-2.1170.8-59.4-79.9000112.4V77V77-F79 HydrophobicContact CG1-CE2 4.28Å; V77-F79 HydrophobicContact CG1-CZ 4.15Å
80S87.7Confident89.6Confident74 Ų74103.3 Ų103.352%0.51756%0.56SS.*SBendtrans-69.8146.8170.5-174.10000109.6S78 V82S78-S80 VanDerWaalsContact C-N 3.34Å; S78-S80 WeakPolarHBondContact OG-CB 3.25Å; S78-S80 PolarHBondContact OG-N 2.84Å; S80-V82 PolarHBondContact O-N 3.05Å; S80-V82 VanDerWaalsContact O-N 3.1Å; S80-V82 PolarHBondContact OG-N 2.03Å
81T83.7Confident89.7Confident146 Ų146101.5 Ų101.590%0.89654%0.542SS*.SBendtrans-62.7-12.5171.751.20000113.1
82V79.5Confident89.8Confident87 Ų8799.9 Ų99.953%0.52752%0.524SS..  trans-117.8115.3180-1750000110.1S80 K84S80-V82 PolarHBondContact O-N 3.05Å; S80-V82 VanDerWaalsContact O-N 3.1Å; S80-V82 PolarHBondContact OG-N 2.03Å; V82-K84 HydrophobicContact CG1-CG 4.49Å; V82-K84 PolarHBondContact O-N 3.1Å
83L76.8Confident89.9Confident101 Ų10194.6 Ų94.653%0.52951%0.51SS..  trans-87.8102.9171.5-168.264.8000109P86L83-P86 HydrophobicContact CD2-CB 3.77Å; L83-P86 HydrophobicContact CG-CB 4.2Å
84K79.3Confident89.9Confident193 Ų19392.3 Ų92.384%0.83949%0.494SS*.SBendtrans-72.7-62.4-179.4-70.7-174.4177.8-178.40112.1V82V82-K84 HydrophobicContact CG1-CG 4.49Å; V82-K84 PolarHBondContact O-N 3.1Å
85Q87.1Confident90.1Very high108 Ų10891.6 Ų91.651%0.50549%0.487SS..  trans-128.3110.1180179.563.317.500107.4F87Q85-F87 VanDerWaalsContact CG-O 3.29Å; Q85-F87 WeakPolarHBondContact CG-O 3.42Å; Q85-F87 PolarHBondContact NE2-O 2.85Å; Q85-F87 PolarHBondContact O-N 3.46Å
86P89.1Confident90.3Very high47 Ų4789.9 Ų89.931%0.30548%0.476SS..SBendtrans-72.1-15.5-172.625-32.2000113.9L76 L83L76-P86 PolarHBondContact N-O 2.87Å; L83-P86 HydrophobicContact CD2-CB 3.77Å; L83-P86 HydrophobicContact CG-CB 4.2Å
87F92.3Very high90.7Very high100 Ų10091.1 Ų91.144%0.43948%0.48SS..EExtended strand (participates in β ladder)trans-132.3141.7-174.2-56.3-71.7000112.4S73 E74 P75 Q85S73-F87 WeakPolarHBondContact OG-CB 3.38Å; E74-F87 CarbonylContact O-C 3.59Å; E74-F87 VanDerWaalsContact O-CA 3.26Å; E74-F87 WeakPolarHBondContact O-CA 3.41Å; P75-F87 HydrophobicContact CB-CD1 4.37Å; P75-F87 HydrophobicContact CB-CE1 4.37Å; Q85-F87 VanDerWaalsContact CG-O 3.29Å; Q85-F87 WeakPolarHBondContact CG-O 3.42Å; Q85-F87 PolarHBondContact NE2-O 2.85Å; Q85-F87 PolarHBondContact O-N 3.46Å
88R91.2Very high91.1Very high175 Ų17588.2 Ų88.266%0.6646%0.462SS*.EExtended strand (participates in β ladder)trans-95.2102.8160.2-174.4179.2-174.6-177.92.2108.1E74 L76E74-R88 PolarHBondContact N-O 3.34Å; E74-R88 PolarHBondContact O-N 3.14Å; L76-R88 HydrophobicContact CD1-CB 4.21Å; L76-R88 HydrophobicContact CD2-CB 3.99Å; L76-R88 HydrophobicContact CG-CB 4.12Å
89S93.4Very high91.6Very high60 Ų6087.5 Ų87.542%0.4246%0.457SS..EExtended strand (participates in β ladder)trans-101.7146.517753.80000111.8R72R72-S89 CarbonylContact O-C 3.56Å; R72-S89 VanDerWaalsContact O-CA 3.24Å; R72-S89 WeakPolarHBondContact O-CA 3.33Å
90S95Very high92.1Very high22 Ų2284.1 Ų84.115%0.15444%0.442CS..EExtended strand (participates in β ladder)trans-136.6131166-1720000108.5S71 R72 E128S71-S90 CarbonylContact C-O 3.52Å; S71-S90 VanDerWaalsContact CA-O 3.29Å; S71-S90 WeakPolarHBondContact CA-O 3.45Å; R72-S90 PolarHBondContact N-O 3.4Å; R72-S90 PolarHBondContact O-N 3.38Å; S90-E128 PolarHBondContact OG-OE1 3.49Å
91C97.1Very high92.6Very high51 Ų5186.1 Ų86.135%0.34545%0.446SS..  trans-145140.3-178.7-1750000107.8E128 C129C91-E128 CarbonylContact O-C 3.6Å; C91-E128 VanDerWaalsContact O-CA 3.29Å; C91-E128 WeakPolarHBondContact O-CA 3.27Å; C91-C129 HydrophobicContact CB-CB 4.06Å; C91-C129 PolarHBondContact O-N 2.96Å; C91-C129 PolarHBondContact O-SG 2.83Å; C91-C129 PolarHBondContact SG-SG 3.47Å
92H97.4Very high93.3Very high52 Ų5282.8 Ų82.824%0.24142%0.419CS..EExtended strand (participates in β ladder)trans-114.3128.1178.3-72.469.2000110.4C67 Q69 C126 E127C67-H92 HydrophobicContact CB-CB 3.75Å; Q69-H92 HydrophobicContact CB-CB 4.26Å; H92-C126 HydrophobicContact CB-CB 4.37Å; H92-E127 CarbonylContact C-O 3.53Å; H92-E127 VanDerWaalsContact CA-O 3.31Å; H92-E127 WeakPolarHBondContact CA-O 3.46Å
93C97.5Very high94.2Very high37 Ų3782.2 Ų82.225%0.2542%0.423CS..EExtended strand (participates in β ladder)trans-112.4130.8-174.5-72.40000109.2R95 E127 C129C93-R95 HydrophobicContact CB-CG 4.03Å; C93-R95 PolarHBondContact O-N 3.12Å; C93-E127 PolarHBondContact N-O 3.06Å; C93-E127 PolarHBondContact O-N 2.92Å; C93-E127 VanDerWaalsContact O-N 3.17Å; C93-C129 HydrophobicContact CB-CB 4.5Å; C93-C129 WeakPolarHBondContact CB-SG 3.03Å; C93-C129 PolarHBondContact N-SG 3.22Å; C93-C129 WeakPolarHBondContact SG-CB 3.03Å; C93-C129 CovalentContact SG-SG 2.07Å; C93-C129 PolarHBondContact SG-SG 2.89Å
94C97.7Very high95.2Very high27 Ų2778.1 Ų78.118%0.18240%0.402CS..EExtended strand (participates in β ladder)trans-73.1107.2174.4-175.80000110.4C37C37-C94 WeakPolarHBondContact CA-SG 3.39Å; C37-C94 HydrophobicContact CB-CB 3.65Å; C37-C94 WeakPolarHBondContact CB-SG 3.27Å; C37-C94 WeakPolarHBondContact SG-CA 3.4Å; C37-C94 WeakPolarHBondContact SG-CB 3.46Å; C37-C94 CovalentContact SG-SG 2.03Å; C37-C94 PolarHBondContact SG-SG 2.88Å
95R98Very high96Very high75 Ų7576.4 Ų76.428%0.28339%0.39SS..EExtended strand (participates in β ladder)trans-137.1161.5-169.8-72.4177.6179.2175.73.7113.2C63 C93 Q97 C124 H125 E127C63-R95 VanDerWaalsContact SG-C 3.58Å; C93-R95 HydrophobicContact CB-CG 4.03Å; C93-R95 PolarHBondContact O-N 3.12Å; R95-Q97 PolarHBondContact O-N 2.99Å; R95-C124 WeakPolarHBondContact O-CA 3.41Å; R95-H125 PolarHBondContact N-O 2.85Å; R95-H125 PolarHBondContact O-N 2.88Å; R95-H125 PolarHBondContact O-ND1 3.19Å; R95-E127 HydrophobicContact CB-CG 4.04Å; R95-E127 WeakPolarHBondContact CD-OE1 3Å; R95-E127 HydrophobicContact CG-CG 4.36Å; R95-E127 IonicContact CZ-OE1 2.73Å; R95-E127 IonicContact NE-OE1 2.64Å; R95-E127 IonicContact NH1-OE1 3.46Å; R95-E127 PolarHBondContact NH1-OE1 2.03Å
96P98.3Very high96.5Very high65 Ų6571.5 Ų71.542%0.42237%0.368SS..EExtended strand (participates in β ladder)trans-63.3121.7178.6-21.334.5000111.9I121P96-I121 HydrophobicContact CB-CD1 4.08Å; P96-I121 HydrophobicContact CB-CG1 3.97Å; P96-I121 HydrophobicContact CB-CG2 4.15Å; P96-I121 HydrophobicContact CG-CD1 3.52Å; P96-I121 HydrophobicContact CG-CG1 3.96Å
97Q98.1Very high96.9Very high111 Ų11177.6 Ų77.652%0.51939%0.385SS..EExtended strand (participates in β ladder)trans-86.2-48.1174.7-171.9-169.229.800110.9R95 S123 H125R95-Q97 PolarHBondContact O-N 2.99Å; Q97-S123 WeakPolarHBondContact CB-OG 3.48Å; Q97-S123 PolarHBondContact N-O 2.85Å; Q97-S123 PolarHBondContact OE1-OG 3.28Å; Q97-H125 HydrophobicContact CB-CB 4.1Å; Q97-H125 WeakPolarHBondContact CB-ND1 3.35Å; Q97-H125 HydrophobicContact CG-CB 4.36Å
98T98.5Very high97.1Very high64 Ų6473.5 Ų73.539%0.39337%0.368SS..EExtended strand (participates in β ladder)trans-129.8143.317865.80000110.4L122 S123T98-L122 PolarHBondContact O-N 3.27Å; T98-L122 WeakPolarHBondContact OG1-CB 3.24Å; T98-S123 PolarHBondContact N-O 2.88Å; T98-S123 PolarHBondContact N-OG 3.28Å; T98-S123 PolarHBondContact O-N 2.81Å; T98-S123 PolarHBondContact OG1-N 2.8Å; T98-S123 PolarHBondContact OG1-OG 3.32Å
99S98.6Very high97.4Very high42 Ų4268.5 Ų68.529%0.29436%0.36SS..EExtended strand (participates in β ladder)trans-148.2155.6178.965.40000111.4R119 Y120S99-R119 PolarHBondContact OG-NH1 2.95Å; S99-R119 VanDerWaalsContact OG-NH1 3.11Å; S99-Y120 CarbonylContact C-O 3.56Å; S99-Y120 VanDerWaalsContact CA-O 3.27Å; S99-Y120 WeakPolarHBondContact CA-O 3.31Å
100K98.4Very high97.4Very high130 Ų13069.8 Ų69.857%0.56538%0.383SS*.EExtended strand (participates in β ladder)trans-112130.8171.9-177.6171.6-179171.40110K102 Y120 L122K100-K102 PolarHBondContact O-N 3.11Å; K100-Y120 PolarHBondContact N-O 3.48Å; K100-Y120 PolarHBondContact O-N 3.26Å; K100-L122 HydrophobicContact CB-CD1 4.31Å
101L98.5Very high97.4Very high116 Ų11672 Ų7261%0.60741%0.409SS*.EExtended strand (participates in β ladder)trans-67.3129.3170.9-174.265.6000109.6
102K98.3Very high97.3Very high76 Ų7673 Ų7333%0.3341%0.41SS..EExtended strand (participates in β ladder)trans-124.6149.4174.8-70.2-173.7-176.3-102.50109.9K100 T117 Y118 Y120K100-K102 PolarHBondContact O-N 3.11Å; K102-T117 WeakPolarHBondContact O-CA 2.95Å; K102-Y118 HydrophobicContact CB-CD1 4.28Å; K102-Y118 HydrophobicContact CB-CD2 4.42Å; K102-Y118 HydrophobicContact CB-CE1 3.78Å; K102-Y118 HydrophobicContact CB-CE2 3.92Å; K102-Y118 HydrophobicContact CD-CE2 3.8Å; K102-Y118 WeakPolarHBondContact CD-OH 3.29Å; K102-Y118 HydrophobicContact CG-CE2 4.37Å; K102-Y118 PolarHBondContact N-O 3.38Å; K102-Y118 PolarHBondContact O-N 3.23Å; K102-Y120 HydrophobicContact CD-CG 4.2Å; K102-Y120 VanDerWaalsContact CE-CG 3.49Å
103A97.8Very high97.3Very high74 Ų7477.4 Ų77.461%0.61242%0.424SS*.EExtended strand (participates in β ladder)trans-124.6143.1175.200000109.7T115 A116 T117A103-T115 HydrophobicContact CB-CG2 3.98Å; A103-A116 CarbonylContact C-O 3.53Å; A103-A116 WeakPolarHBondContact CA-O 2.97Å; A103-T117 HydrophobicContact CB-CG2 4.33Å
104L96.7Very high97.2Very high16 Ų1677.5 Ų77.58%0.08442%0.422CS..EExtended strand (participates in β ladder)trans-133131.8177.7170.964.6000109.8I46 K56 V58 L106 T115 A116I46-L104 HydrophobicContact CB-CD2 4.36Å; I46-L104 HydrophobicContact CD1-CD2 4.28Å; K56-L104 HydrophobicContact CB-CD2 4.03Å; K56-L104 HydrophobicContact CD-CD1 3.31Å; K56-L104 HydrophobicContact CD-CD2 3.73Å; K56-L104 HydrophobicContact CD-CG 4.08Å; K56-L104 HydrophobicContact CG-CD2 4.37Å; V58-L104 HydrophobicContact CG2-CD2 3.82Å; L104-L106 HydrophobicContact CD2-CD2 3.85Å; L104-L106 HydrophobicContact CG-CD2 4.19Å; L104-T115 CarbonylContact O-C 3.54Å; L104-T115 WeakPolarHBondContact O-CA 3.32Å; L104-A116 PolarHBondContact N-O 3.17Å; L104-A116 PolarHBondContact O-N 2.03Å
105R97.2Very high97.2Very high156 Ų15680.5 Ų80.559%0.58944%0.439SS*.EExtended strand (participates in β ladder)trans-92.3121173.7-62.3179.473.9173.48.2110.7R113 L114R105-R113 VanDerWaalsContact NH2-CD 3.33Å; R105-L114 CarbonylContact C-O 3.59Å; R105-L114 WeakPolarHBondContact CA-O 3.24Å
106L97.5Very high97.2Very high6 Ų678.1 Ų78.13%0.03144%0.436CS..EExtended strand (participates in β ladder)trans-93.5146.1169.4-55.5-179.1000109.7I46 H48 C53 K56 L104 R113 L114I46-L106 HydrophobicContact CG2-CD1 4.44Å; H48-L106 HydrophobicContact CB-CD1 4.41Å; C53-L106 HydrophobicContact CB-CB 4.22Å; C53-L106 HydrophobicContact CB-CD1 4.5Å; K56-L106 HydrophobicContact CB-CD2 4.22Å; L104-L106 HydrophobicContact CD2-CD2 3.85Å; L104-L106 HydrophobicContact CG-CD2 4.19Å; L106-R113 WeakPolarHBondContact O-CA 2.81Å; L106-L114 PolarHBondContact N-O 3.45Å; L106-L114 PolarHBondContact O-N 2.9Å
107R97.5Very high97.2Very high175 Ų17579.9 Ų79.966%0.6645%0.445SS*.EExtended strand (participates in β ladder)trans-98.8129.2171.9-63.8-178.5-179.9-173.10.4108.4C53 S54C53-R107 CarbonylContact C-O 3.56Å; C53-R107 VanDerWaalsContact CA-O 3.3Å; C53-R107 WeakPolarHBondContact CA-O 3.28Å; S54-R107 PolarHBondContact N-O 3.49Å; S54-R107 PolarHBondContact OG-N 3.21Å; S54-R107 PolarHBondContact OG-O 3.44Å
108C96.8Very high97.2Very high14 Ų1476.9 Ų76.910%0.09543%0.43CS..BIsolated β-bridgetrans-116166.3-176.5-51.80000111.6K52 C53 G111 M112K52-C108 CarbonylContact O-C 3.59Å; K52-C108 WeakPolarHBondContact O-CA 3.38Å; C53-C108 HydrophobicContact CB-CB 4Å; C53-C108 WeakPolarHBondContact CB-SG 3.17Å; C53-C108 WeakPolarHBondContact SG-CB 3.27Å; C53-C108 CovalentContact SG-SG 2.04Å; C53-C108 PolarHBondContact SG-SG 2.95Å; C108-G111 PolarHBondContact O-N 3.44Å; C108-M112 HydrophobicContact CB-CB 4.27Å; C108-M112 HydrophobicContact CB-CE 4.02Å; C108-M112 PolarHBondContact N-O 2.73Å
109S96.6Very high97.2Very high70 Ų7081.7 Ų81.749%0.4944%0.441SS..G310 helixtrans-52.3147.3170.453.40000111.2K52 G111K52-S109 PolarHBondContact O-N 2.99Å; S109-G111 VanDerWaalsContact C-N 3.3Å; S109-G111 PolarHBondContact O-N 2.07Å
110G94.2Very high97.2Very high87 Ų8781.2 Ų81.290%0.89743%0.433SS*.G310 helixtrans74.915.4-177.700000114.6M112G110-M112 PolarHBondContact O-N 2.84Å
111G93.9Very high97.2Very high68 Ų6876 Ų7670%0.70141%0.411SS*.G310 helixtrans75.5-0.5179.200000114.6C108 S109C108-G111 PolarHBondContact O-N 3.44Å; S109-G111 VanDerWaalsContact C-N 3.3Å; S109-G111 PolarHBondContact O-N 2.07Å
112M95.6Very high97.2Very high73 Ų7374.6 Ų74.636%0.3640%0.403SS..  trans-62.3144.1177.2-175.9173.165.200111Y51 C108 G110 L114Y51-M112 HydrophobicContact CD1-CE 3.9Å; Y51-M112 HydrophobicContact CD2-CE 4.31Å; Y51-M112 HydrophobicContact CE1-CE 4.26Å; Y51-M112 HydrophobicContact CG-CE 3.94Å; C108-M112 HydrophobicContact CB-CB 4.27Å; C108-M112 HydrophobicContact CB-CE 4.02Å; C108-M112 PolarHBondContact N-O 2.73Å; G110-M112 PolarHBondContact O-N 2.84Å; M112-L114 HydrophobicContact CE-CD1 3.91Å; M112-L114 HydrophobicContact CE-CD2 4.08Å; M112-L114 HydrophobicContact CE-CG 4.01Å; M112-L114 HydrophobicContact CG-CD2 4.17Å; M112-L114 HydrophobicContact CG-CG 4.41Å; M112-L114 HydrophobicContact SD-CD2 3.96Å; M112-L114 HydrophobicContact SD-CG 4.44Å
113R96.6Very high97.2Very high143 Ų14372.4 Ų72.454%0.5440%0.398SS..EExtended strand (participates in β ladder)trans-120.6122.1174.6-64.6-177.3-179.1-178.32.7109.3R105 L106R105-R113 VanDerWaalsContact NH2-CD 3.33Å; L106-R113 WeakPolarHBondContact O-CA 2.81Å
114L97.1Very high97.2Very high40 Ų4070 Ų7021%0.20938%0.376CS..EExtended strand (participates in β ladder)trans-108.2143.6178-64.3-178.3000110.5H48 Y51 R105 L106 M112H48-L114 VanDerWaalsContact CD2-CD1 3.45Å; H48-L114 WeakPolarHBondContact CD2-CD1 3.36Å; Y51-L114 HydrophobicContact CD2-CD1 3.53Å; Y51-L114 HydrophobicContact CE2-CD1 4.25Å; Y51-L114 HydrophobicContact CG-CD1 4.12Å; R105-L114 CarbonylContact C-O 3.59Å; R105-L114 WeakPolarHBondContact CA-O 3.24Å; L106-L114 PolarHBondContact N-O 3.45Å; L106-L114 PolarHBondContact O-N 2.9Å; M112-L114 HydrophobicContact CE-CD1 3.91Å; M112-L114 HydrophobicContact CE-CD2 4.08Å; M112-L114 HydrophobicContact CE-CG 4.01Å; M112-L114 HydrophobicContact CG-CD2 4.17Å; M112-L114 HydrophobicContact CG-CG 4.41Å; M112-L114 HydrophobicContact SD-CD2 3.96Å; M112-L114 HydrophobicContact SD-CG 4.44Å
115T97.4Very high97.3Very high89 Ų8972 Ų7255%0.54639%0.385SS..EExtended strand (participates in β ladder)trans-105.3116.5177.4-58.80000109.4A103 L104 T117A103-T115 HydrophobicContact CB-CG2 3.98Å; L104-T115 CarbonylContact O-C 3.54Å; L104-T115 WeakPolarHBondContact O-CA 3.32Å; T115-T117 HydrophobicContact CG2-CG2 4.46Å
116A97.4Very high97.3Very high26 Ų2666.3 Ų66.322%0.21537%0.368CS..EExtended strand (participates in β ladder)trans-90.5140.7168.200000109.6I46 A103 L104I46-A116 HydrophobicContact CG2-CB 4.11Å; A103-A116 CarbonylContact C-O 3.53Å; A103-A116 WeakPolarHBondContact CA-O 2.97Å; L104-A116 PolarHBondContact N-O 3.17Å; L104-A116 PolarHBondContact O-N 2.03Å
117T98Very high97.3Very high101 Ų10169 Ų6962%0.6238%0.381SS*.EExtended strand (participates in β ladder)trans-119.9144.7176.654.80000110K102 A103 T115K102-T117 WeakPolarHBondContact O-CA 2.95Å; A103-T117 HydrophobicContact CB-CG2 4.33Å; T115-T117 HydrophobicContact CG2-CG2 4.46Å
118Y98Very high97.3Very high49 Ų4966.2 Ų66.219%0.19238%0.376CS..EExtended strand (participates in β ladder)trans-153.4165.1176.667.1-84.4000110.5I46 V58 L60 K102I46-Y118 HydrophobicContact CD1-CD1 4.07Å; I46-Y118 HydrophobicContact CD1-CE1 4.2Å; V58-Y118 HydrophobicContact CG1-CE1 4.27Å; V58-Y118 HydrophobicContact CG1-CE2 4.36Å; V58-Y118 VanDerWaalsContact CG1-OH 3.27Å; V58-Y118 WeakPolarHBondContact CG1-OH 3.19Å; L60-Y118 HydrophobicContact CD2-CD2 3.58Å; L60-Y118 HydrophobicContact CD2-CE2 3.46Å; L60-Y118 VanDerWaalsContact CD2-CE2 3.46Å; L60-Y118 HydrophobicContact CD2-CG 4.37Å; K102-Y118 HydrophobicContact CB-CD1 4.28Å; K102-Y118 HydrophobicContact CB-CD2 4.42Å; K102-Y118 HydrophobicContact CB-CE1 3.78Å; K102-Y118 HydrophobicContact CB-CE2 3.92Å; K102-Y118 HydrophobicContact CD-CE2 3.8Å; K102-Y118 WeakPolarHBondContact CD-OH 3.29Å; K102-Y118 HydrophobicContact CG-CE2 4.37Å; K102-Y118 PolarHBondContact N-O 3.38Å; K102-Y118 PolarHBondContact O-N 3.23Å
119R98.5Very high97.2Very high164 Ų16467 Ų6762%0.61938%0.381SS*.EExtended strand (participates in β ladder)trans-100.6122.8174.2-72.8-176.6174-84.6-0.2109.9S99S99-R119 PolarHBondContact OG-NH1 2.95Å; S99-R119 VanDerWaalsContact OG-NH1 3.11Å
120Y98.4Very high96.4Very high33 Ų3368.5 Ų68.513%0.12939%0.391CS..EExtended strand (participates in β ladder)trans-89.8113.1170.8-173.3-99.2000109.5H41 L59 A61 S99 K100 K102 L122H41-Y120 PolarHBondContact CD2-OH 3.34Å; H41-Y120 PolarHBondContact NE2-OH 3.46Å; L59-Y120 WeakPolarHBondContact O-CE2 3.29Å; A61-Y120 HydrophobicContact CB-CE2 4.33Å; S99-Y120 CarbonylContact C-O 3.56Å; S99-Y120 VanDerWaalsContact CA-O 3.27Å; S99-Y120 WeakPolarHBondContact CA-O 3.31Å; K100-Y120 PolarHBondContact N-O 3.48Å; K100-Y120 PolarHBondContact O-N 3.26Å; K102-Y120 HydrophobicContact CD-CG 4.2Å; K102-Y120 VanDerWaalsContact CE-CG 3.49Å; Y120-L122 HydrophobicContact CD1-CD2 3.8Å; Y120-L122 HydrophobicContact CE1-CD2 4.05Å
121I98.8Very high94.8Very high21 Ų2172.3 Ų72.311%0.10840%0.404CS..EExtended strand (participates in β ladder)trans-71.2130.1-177-61.8170000109.7R39 A61 P96R39-I121 WeakPolarHBondContact CD-O 3.37Å; R39-I121 HydrophobicContact CG-CG2 4.44Å; R39-I121 PolarHBondContact NH1-O 3.38Å; A61-I121 HydrophobicContact CB-CB 4.06Å; A61-I121 WeakPolarHBondContact O-CD1 3.49Å; P96-I121 HydrophobicContact CB-CD1 4.08Å; P96-I121 HydrophobicContact CB-CG1 3.97Å; P96-I121 HydrophobicContact CB-CG2 4.15Å; P96-I121 HydrophobicContact CG-CD1 3.52Å; P96-I121 HydrophobicContact CG-CG1 3.96Å
122L98.5Very high94.9Very high85 Ų8572.6 Ų72.645%0.44539%0.389SS..EExtended strand (participates in β ladder)trans-104.7-38.6-179.3-61.4176.7000111.8R39 T98 K100 Y120R39-L122 VanDerWaalsContact CD-O 3.25Å; R39-L122 WeakPolarHBondContact CD-O 3.26Å; R39-L122 PolarHBondContact NE-O 3.47Å; T98-L122 PolarHBondContact O-N 3.27Å; T98-L122 WeakPolarHBondContact OG1-CB 3.24Å; K100-L122 HydrophobicContact CB-CD1 4.31Å; Y120-L122 HydrophobicContact CD1-CD2 3.8Å; Y120-L122 HydrophobicContact CE1-CD2 4.05Å
123S98.4Very high94.8Very high31 Ų3172.5 Ų72.522%0.21739%0.391CS..EExtended strand (participates in β ladder)trans-142.2154.5173.3640000111.7Q97 T98Q97-S123 WeakPolarHBondContact CB-OG 3.48Å; Q97-S123 PolarHBondContact N-O 2.85Å; Q97-S123 PolarHBondContact OE1-OG 3.28Å; T98-S123 PolarHBondContact N-O 2.88Å; T98-S123 PolarHBondContact N-OG 3.28Å; T98-S123 PolarHBondContact O-N 2.81Å; T98-S123 PolarHBondContact OG1-N 2.8Å; T98-S123 PolarHBondContact OG1-OG 3.32Å
124C98.3Very high94.7Very high23 Ų2368.6 Ų68.616%0.15538%0.383CS..EExtended strand (participates in β ladder)trans-120.1150.2177.5-61.20000109C63 R95C63-C124 WeakPolarHBondContact CA-SG 3.29Å; C63-C124 HydrophobicContact CB-CB 3.69Å; C63-C124 WeakPolarHBondContact CB-SG 3.41Å; C63-C124 WeakPolarHBondContact SG-CB 3.39Å; C63-C124 CovalentContact SG-SG 2.03Å; C63-C124 PolarHBondContact SG-SG 3.47Å; R95-C124 WeakPolarHBondContact O-CA 3.41Å
125H97.9Very high94.6Very high59 Ų5970.3 Ų70.327%0.27339%0.393SS..EExtended strand (participates in β ladder)trans-152.2166.6174.774-37.2000110.9R95 Q97 E127R95-H125 PolarHBondContact N-O 2.85Å; R95-H125 PolarHBondContact O-N 2.88Å; R95-H125 PolarHBondContact O-ND1 3.19Å; Q97-H125 HydrophobicContact CB-CB 4.1Å; Q97-H125 WeakPolarHBondContact CB-ND1 3.35Å; Q97-H125 HydrophobicContact CG-CB 4.36Å; H125-E127 IonicContact CE1-OE2 3.47Å; H125-E127 PolarHBondContact CE1-OE2 3.31Å; H125-E127 VanDerWaalsContact CE1-OE2 3.23Å; H125-E127 IonicContact NE2-OE2 2.8Å
126C97.8Very high94.4Very high35 Ų3569.1 Ų69.124%0.23638%0.383CS..EExtended strand (participates in β ladder)trans-88118.1171-71.50000109.6C37 C67 H92C37-C126 VanDerWaalsContact CB-SG 3.55Å; C67-C126 WeakPolarHBondContact CA-SG 3.35Å; C67-C126 HydrophobicContact CB-CB 3.79Å; C67-C126 WeakPolarHBondContact CB-SG 3.01Å; C67-C126 WeakPolarHBondContact SG-CB 3.5Å; C67-C126 CovalentContact SG-SG 2.03Å; C67-C126 PolarHBondContact SG-SG 2.73Å; H92-C126 HydrophobicContact CB-CB 4.37Å
127E97.4Very high94.2Very high64 Ų6472 Ų7230%0.29940%0.395SS..EExtended strand (participates in β ladder)trans-122.1156.317566.2176.1-155.400111H92 C93 R95 H125 C129H92-E127 CarbonylContact C-O 3.53Å; H92-E127 VanDerWaalsContact CA-O 3.31Å; H92-E127 WeakPolarHBondContact CA-O 3.46Å; C93-E127 PolarHBondContact N-O 3.06Å; C93-E127 PolarHBondContact O-N 2.92Å; C93-E127 VanDerWaalsContact O-N 3.17Å; R95-E127 HydrophobicContact CB-CG 4.04Å; R95-E127 WeakPolarHBondContact CD-OE1 3Å; R95-E127 HydrophobicContact CG-CG 4.36Å; R95-E127 IonicContact CZ-OE1 2.73Å; R95-E127 IonicContact NE-OE1 2.64Å; R95-E127 IonicContact NH1-OE1 3.46Å; R95-E127 PolarHBondContact NH1-OE1 2.03Å; H125-E127 IonicContact CE1-OE2 3.47Å; H125-E127 PolarHBondContact CE1-OE2 3.31Å; H125-E127 VanDerWaalsContact CE1-OE2 3.23Å; H125-E127 IonicContact NE2-OE2 2.8Å; E127-C129 PolarHBondContact O-N 2.82Å
128E97Very high93.9Very high116 Ų11669.9 Ų69.954%0.54238%0.379SS..EExtended strand (participates in β ladder)trans-64.9133.8178.1-170.1160.8-138.200110.6S90 C91 S130S90-E128 PolarHBondContact OG-OE1 3.49Å; C91-E128 CarbonylContact O-C 3.6Å; C91-E128 VanDerWaalsContact O-CA 3.29Å; C91-E128 WeakPolarHBondContact O-CA 3.27Å; E128-S130 PolarHBondContact O-N 3.1Å
129C94.5Very high93.6Very high31 Ų3171.5 Ų71.521%0.20939%0.393CS..  trans-72.4119178.3-46.50000108.2C91 C93 E127 S131C91-C129 HydrophobicContact CB-CB 4.06Å; C91-C129 PolarHBondContact O-N 2.96Å; C91-C129 PolarHBondContact O-SG 2.83Å; C91-C129 PolarHBondContact SG-SG 3.47Å; C93-C129 HydrophobicContact CB-CB 4.5Å; C93-C129 WeakPolarHBondContact CB-SG 3.03Å; C93-C129 PolarHBondContact N-SG 3.22Å; C93-C129 WeakPolarHBondContact SG-CB 3.03Å; C93-C129 CovalentContact SG-SG 2.07Å; C93-C129 PolarHBondContact SG-SG 2.89Å; E127-C129 PolarHBondContact O-N 2.82Å; C129-S131 PolarHBondContact O-N 3.41Å
130S80.7Confident93.2Very high101 Ų10163.8 Ų63.871%0.70637%0.374SS*.  trans-67.2114.517454.20000110.1E128E128-S130 PolarHBondContact O-N 3.1Å
131S60.6Low92.7Very high167 Ų16766.6 Ų66.6100%1.16840%0.396SS*.  trans-76.20167.660.60000111.6C129C129-S131 PolarHBondContact O-N 3.41Å

Retrieved 131 of 131 residues in 47.1 ms (Link to these results)