A0A061HW90_CRIGR Loading...

Gem-associated protein 7

The SMN complex catalyzes the assembly of small nuclear ribonucleoproteins (snRNPs), the building blocks of the spliceosome, and thereby plays an important role in the splicing of cellular pre-mRNAs. Most spliceosomal snRNPs contain a common set of Sm proteins SNRPB, SNRPD1, SNRPD2, SNRPD3, SNRPE, SNRPF and SNRPG that assemble in a heptameric protein ring on the Sm site of the small nuclear RNA to form the core snRNP (Sm core). In the cytosol, the Sm proteins SNRPD1, SNRPD2, SNRPE, SNRPF and SNRPG are trapped in an inactive 6S pICln-Sm complex by the chaperone CLNS1A that controls the assembly of the core snRNP. To assemble core snRNPs, the SMN complex accepts the trapped 5Sm proteins from CLNS1A forming an intermediate. Binding of snRNA inside 5Sm triggers eviction of the SMN complex, thereby allowing binding of SNRPD3 and SNRPB to complete assembly of the core snRNP.

AlphaFold DB , UniProt , Accession A0A061HW90, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Gemin7, Length 131 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M42.8Very low58.5Low241 Ų241151.8 Ų151.8100%1.18782%0.823SS**  093.20-67.6-67-12700108.1
2Q44.7Very low58.4Low200 Ų200149.6 Ų149.694%0.93582%0.822SS**PPolyproline II helixtrans-93.9121.2-176.8-136.2170.418.300108.5
3T47.2Very low58.9Low126 Ų126146.7 Ų146.777%0.77381%0.811SS**PPolyproline II helixtrans-75.5132179.347.40000110.6
4P53.9Low59.1Low123 Ų123147.6 Ų147.680%0.79981%0.813SS**PPolyproline II helixtrans-70.5135.1179.827.6-31.5000110.9
5R62.7Low59.3Low246 Ų246151.8 Ų151.893%0.92881%0.812SS**PPolyproline II helixtrans-73125.9178.1-71.9-176.8169.3-173.7-3.5110.5
6T62.5Low59.4Low136 Ų136150.7 Ų150.783%0.83481%0.805SS**PPolyproline II helixtrans-72.4122.4177.6-43.70000110.5
7I65.9Low59.6Low139 Ų139148.6 Ų148.671%0.71380%0.802SS**PPolyproline II helixtrans-80.5122.2174.7-60.4170.9000108V9I7-V9 VanDerWaalsContact C-N 3.32Å; I7-V9 PolarHBondContact O-N 3.33Å
8P62.7Low59.8Low126 Ų126150.7 Ų150.782%0.81880%0.796SS**SBendtrans-78.3-6.1-168.127.7-33.5000115.5
9V67.5Low60.1Low101 Ų101143.3 Ų143.361%0.61276%0.759SS**SBendtrans-135.5119.6178.7-174.70000109.5I7 V11I7-V9 VanDerWaalsContact C-N 3.32Å; I7-V9 PolarHBondContact O-N 3.33Å; V9-V11 PolarHBondContact O-N 2.91Å; V9-V11 VanDerWaalsContact O-N 3.14Å
10P65.6Low60.5Low119 Ų119143.2 Ų143.277%0.77377%0.767SS**  trans-68.1113176.325.5-30000109.6
11V67.9Low60.7Low113 Ų113141 Ų14169%0.68576%0.756SS**  trans-72.4123.4171.3-179.10000107.7V9 V13V9-V11 PolarHBondContact O-N 2.91Å; V9-V11 VanDerWaalsContact O-N 3.14Å; V11-V13 PolarHBondContact O-N 3.11Å
12P57Low61.6Low125 Ų125130.9 Ų130.981%0.81271%0.713SS**  trans-66.3102.9174.826.3-31.6000108.6L14P12-L14 PolarHBondContact O-N 2.93Å
13V65Low62.3Low112 Ų112130.7 Ų130.768%0.67971%0.709SS**  trans-78.3102.8172.1-175.10000106.9V11 R15V11-V13 PolarHBondContact O-N 3.11Å; V13-R15 VanDerWaalsContact C-N 3.33Å; V13-R15 HydrophobicContact CG1-CG 4.35Å; V13-R15 PolarHBondContact O-N 2.85Å
14L61.5Low62.9Low159 Ų159126.6 Ų126.683%0.83269%0.686SS**  trans-63.298.9167.4-172.372.4000107.5P12 L16P12-L14 PolarHBondContact O-N 2.93Å; L14-L16 PolarHBondContact O-N 3.14Å
15R62.2Low63.2Low211 Ų211131.7 Ų131.780%0.79669%0.689SS**  trans-73.2113.4179.7-68.8-173176.7179.8-1.3107.9V13V13-R15 VanDerWaalsContact C-N 3.33Å; V13-R15 HydrophobicContact CG1-CG 4.35Å; V13-R15 PolarHBondContact O-N 2.85Å
16L62Low62.9Low134 Ų134122.2 Ų122.270%0.70267%0.669SS**PPolyproline II helixtrans-53.7144.6172.5-65.1175.5000110L14 R18L14-L16 PolarHBondContact O-N 3.14Å; L16-R18 PolarHBondContact O-N 2.81Å
17P61.7Low62.5Low116 Ų116123.8 Ų123.875%0.75366%0.664SS**PPolyproline II helixtrans-55.7137178.721-30.8000110.4
18R63.7Low62.1Low186 Ų186120.1 Ų120.170%0.70265%0.654SS**PPolyproline II helixtrans-68.3148.1178.3-62.5-169.3-178.21730.1109.7L16 G22L16-R18 PolarHBondContact O-N 2.81Å; R18-G22 VanDerWaalsContact CD-O 3.27Å; R18-G22 WeakPolarHBondContact CD-O 3.48Å
19G66.2Low61.6Low9 Ų9120.3 Ų120.39%0.09366%0.656CS.*PPolyproline II helixtrans-62.8168.117300000112.3D21 G22 S24G19-D21 PolarHBondContact O-N 2.88Å; G19-G22 PolarHBondContact O-N 3.27Å; G19-S24 PolarHBondContact N-O 3.29Å
20P66.4Low61Low142 Ų142123 Ų12392%0.92267%0.667SS**THydrogen-bonded Turntrans-60.8-19.4-170.922-32.7000115.1
21D65.1Low60.5Low97 Ų97119.1 Ų119.152%0.51965%0.648SS.*THydrogen-bonded Turntrans-91.60.4176.860.6-3.7000113.6G19 F23 S24G19-D21 PolarHBondContact O-N 2.88Å; D21-F23 VanDerWaalsContact O-CD2 3.26Å; D21-F23 WeakPolarHBondContact O-CD2 3.43Å; D21-F23 PolarHBondContact O-N 2.86Å; D21-F23 VanDerWaalsContact O-N 3.14Å; D21-F23 PolarHBondContact OD1-N 3.19Å; D21-S24 VanDerWaalsContact CG-OG 3.28Å; D21-S24 WeakPolarHBondContact OD1-CB 3.36Å; D21-S24 PolarHBondContact OD1-N 3.29Å; D21-S24 PolarHBondContact OD1-OG 3.46Å; D21-S24 WeakPolarHBondContact OD2-CB 3.44Å; D21-S24 PolarHBondContact OD2-OG 2.75Å
22G61.6Low59.8Low28 Ų28125.2 Ų125.229%0.28966%0.659SS.*SBendtrans75.9-7.2176.400000115.6R18 G19R18-G22 VanDerWaalsContact CD-O 3.27Å; R18-G22 WeakPolarHBondContact CD-O 3.48Å; G19-G22 PolarHBondContact O-N 3.27Å
23F59.8Low59.7Low196 Ų196129.9 Ų129.986%0.8666%0.66SS**SBendtrans-123.3-22.5-179.5-61.5-77.4000113.6D21D21-F23 VanDerWaalsContact O-CD2 3.26Å; D21-F23 WeakPolarHBondContact O-CD2 3.43Å; D21-F23 PolarHBondContact O-N 2.86Å; D21-F23 VanDerWaalsContact O-N 3.14Å; D21-F23 PolarHBondContact OD1-N 3.19Å
24S59.7Low59.1Low41 Ų41128.8 Ų128.829%0.28766%0.663SS.*SBendtrans-83.1154.4178.570.30000112.6G19 D21 G26G19-S24 PolarHBondContact N-O 3.29Å; D21-S24 VanDerWaalsContact CG-OG 3.28Å; D21-S24 WeakPolarHBondContact OD1-CB 3.36Å; D21-S24 PolarHBondContact OD1-N 3.29Å; D21-S24 PolarHBondContact OD1-OG 3.46Å; D21-S24 WeakPolarHBondContact OD2-CB 3.44Å; D21-S24 PolarHBondContact OD2-OG 2.75Å; S24-G26 VanDerWaalsContact C-N 3.25Å; S24-G26 PolarHBondContact O-N 3.47Å
25R60.9Low58.6Low229 Ų229128.4 Ų128.486%0.86466%0.661SS**  trans-87.227.5175.9-67.9-173176.4-167.50.2113.3F27R25-F27 WeakPolarHBondContact O-CD2 3.49Å; R25-F27 PolarHBondContact O-N 3.33Å
26G55.7Low58Low48 Ų48126.2 Ų126.250%0.49566%0.664SS.*SBendtrans65.92.4175.700000116.4S24S24-G26 VanDerWaalsContact C-N 3.25Å; S24-G26 PolarHBondContact O-N 3.47Å
27F55.2Low57.4Low169 Ų169130.1 Ų130.174%0.74167%0.669SS**  trans-120.577.9177.8-69-81.9000109.6R25R25-F27 WeakPolarHBondContact O-CD2 3.49Å; R25-F27 PolarHBondContact O-N 3.33Å
28A56.2Low56.7Low61 Ų61130.1 Ų130.150%0.50467%0.669SS.*  trans-87.9128.2162.400000107.9D30 G31A28-D30 PolarHBondContact O-N 3.21Å; A28-G31 PolarHBondContact O-N 2.83Å; A28-G31 VanDerWaalsContact O-N 3.08Å
29P53Low55.6Low131 Ų131130.9 Ų130.985%0.85168%0.678SS**THydrogen-bonded Turntrans-62.7-32.2-179.823.8-31.3000112
30D53.7Low54.6Low157 Ų157135 Ų13584%0.8471%0.711SS**THydrogen-bonded Turntrans-98-0.3175.5-57.5-34.9000113.1A28 R32A28-D30 PolarHBondContact O-N 3.21Å; D30-R32 PolarHBondContact O-N 3.36Å; D30-R32 VanDerWaalsContact O-N 3.07Å
31G55.2Low53.7Low38 Ų38134.7 Ų134.739%0.39271%0.707SS.*  trans-71.4106.1178.400000109A28 R33A28-G31 PolarHBondContact O-N 2.83Å; A28-G31 VanDerWaalsContact O-N 3.08Å; G31-R33 PolarHBondContact O-N 3.28Å
32R54.5Low52.7Low241 Ų241138.6 Ų138.691%0.90972%0.722SS**  trans-47.4109.3164.4-72.4-176.2175.6-175.3-1.1107D30 A34D30-R32 PolarHBondContact O-N 3.36Å; D30-R32 VanDerWaalsContact O-N 3.07Å; R32-A34 VanDerWaalsContact C-N 3.33Å; R32-A34 PolarHBondContact O-N 3.29Å
33R53.7Low52.1Low223 Ų223144.2 Ų144.284%0.84275%0.75SS**  trans-52.6106.7169.5-72.8-179.6174.9175.2-1.2105G31 L35G31-R33 PolarHBondContact O-N 3.28Å; R33-L35 PolarHBondContact O-N 2.84Å
34A52.4Low51.3Low88 Ų88137.7 Ų137.773%0.72774%0.739SS**  trans-64.496.7173.800000105.1R32 L36R32-A34 VanDerWaalsContact C-N 3.33Å; R32-A34 PolarHBondContact O-N 3.29Å; A34-L36 PolarHBondContact O-N 2.91Å
35L51.7Low50.8Low152 Ų152145.4 Ų145.480%0.79677%0.77SS**  trans-52.2105.9154.3-106.2133000103.5R33 R37R33-L35 PolarHBondContact O-N 2.84Å; L35-R37 PolarHBondContact O-N 3.2Å
36L48.9Very low50.4Low165 Ų165137.7 Ų137.786%0.86476%0.762SS**  trans-61.181.5162.3-74.8166.6000105.3A34 P38A34-L36 PolarHBondContact O-N 2.91Å; L36-P38 VanDerWaalsContact O-CD 3.27Å; L36-P38 WeakPolarHBondContact O-CD 3.25Å
37R49.6Very low50.5Low215 Ų215141.8 Ų141.881%0.81178%0.777SS**  trans-64.2115.7160.4-90.3-174.6172.5169.7-2.6104.2L35 K39L35-R37 PolarHBondContact O-N 3.2Å; R37-K39 PolarHBondContact O-N 2.82Å
38P46.6Very low51.2Low116 Ų116141.6 Ų141.675%0.75378%0.779SS**  trans-55.7136.7164.923.5-26.7000106.5L36 A40L36-P38 VanDerWaalsContact O-CD 3.27Å; L36-P38 WeakPolarHBondContact O-CD 3.25Å; P38-A40 PolarHBondContact O-N 2.87Å
39K40.8Very low52Low202 Ų202142.4 Ų142.488%0.87877%0.774SS**  trans-37.6114.6-178.5-93.4-175169-1770109.9R37 T41R37-K39 PolarHBondContact O-N 2.82Å; K39-T41 PolarHBondContact O-N 3.37Å
40A46.6Very low53.5Low95 Ų95140 Ų14079%0.78576%0.759SS**  trans-60.4105.117200000107.7P38P38-A40 PolarHBondContact O-N 2.87Å
41T45.8Very low55Low137 Ų137137.3 Ų137.384%0.8475%0.75SS**  trans-83.6138.8151.2-49.50000105.7K39K39-T41 PolarHBondContact O-N 3.37Å
42E46Very low56.7Low179 Ų179141.9 Ų141.984%0.83676%0.761SS**SBendtrans-63.2138-158.8-56.7177.1175.600113.2
43V48.7Very low58.6Low146 Ų146135.5 Ų135.589%0.88574%0.74SS**  trans21.299.2161-167.20000117.1
44G41.7Very low60.4Low59 Ų59129.5 Ų129.561%0.60872%0.722SS**  trans-131.9121.7148.100000108.2G46G44-G46 PolarHBondContact O-N 2.88Å
45E49.4Very low62.4Low202 Ų202129.9 Ų129.994%0.94471%0.709SS**SBendtrans-52.1130.1170.4-66.5178146.900109.7
46G53.1Low64.6Low67 Ų67127.1 Ų127.169%0.69169%0.692SS**  trans105.442.6174.200000116.3G44 Q48G44-G46 PolarHBondContact O-N 2.88Å; G46-Q48 PolarHBondContact O-N 2.81Å
47T57.8Low66.8Low134 Ų134127.6 Ų127.682%0.82268%0.682SS**  trans-67.188.9162.6-45.50000108.5D49T47-D49 PolarHBondContact O-N 2.98Å
48Q68.9Low69.1Low165 Ų165119.8 Ų119.877%0.77166%0.664SS**PPolyproline II helixtrans-58.2129.6171.2-67.5-177.8-27.200107.8G46G46-Q48 PolarHBondContact O-N 2.81Å
49D73.4Confident71.5Confident78 Ų78120.2 Ų120.242%0.41765%0.65SS.*PPolyproline II helixtrans-50.4142.3171.7-75.4-36.6000109T47 F53 Q54T47-D49 PolarHBondContact O-N 2.98Å; D49-F53 HydrophobicContact CB-CB 4.29Å; D49-F53 HydrophobicContact CB-CD1 3.58Å; D49-F53 HydrophobicContact CB-CE1 4.33Å; D49-F53 HydrophobicContact CB-CG 4.31Å; D49-F53 VanDerWaalsContact CG-CD1 3.43Å; D49-F53 WeakPolarHBondContact OD2-CD1 3.47Å; D49-F53 WeakPolarHBondContact OD2-CE1 3.43Å; D49-Q54 HydrophobicContact CB-CG 3.82Å; D49-Q54 PolarHBondContact O-NE2 2.87Å
50P83.9Confident74.2Confident81 Ų81113.4 Ų113.453%0.52663%0.631SS.*PPolyproline II helixtrans-49.5144.1176.3-22.429.8000110.4E52 F53 Q54P50-E52 PolarHBondContact O-N 2.83Å; P50-E52 VanDerWaalsContact O-N 3.12Å; P50-F53 WeakPolarHBondContact O-CA 3.46Å; P50-F53 WeakPolarHBondContact O-CB 3.47Å; P50-F53 PolarHBondContact O-N 2.86Å; P50-Q54 PolarHBondContact O-N 3.44Å
51P86.4Confident76.6Confident101 Ų101111.1 Ų111.166%0.65661%0.612SS**Hα-helixtrans-54.8-38.1-175.820.8-32.3000112.1F53 Q54 E55P51-F53 VanDerWaalsContact C-N 3.34Å; P51-F53 PolarHBondContact O-N 3.2Å; P51-Q54 PolarHBondContact O-N 2.93Å; P51-E55 WeakPolarHBondContact O-CG 3.48Å; P51-E55 PolarHBondContact O-N 3.09Å
52E91.4Very high79.1Confident134 Ų134110 Ų11063%0.62660%0.601SS**Hα-helixtrans-59.9-40.3174.8-173.6-178.5-178.400112.9P50 E55 Q56P50-E52 PolarHBondContact O-N 2.83Å; P50-E52 VanDerWaalsContact O-N 3.12Å; E52-E55 PolarHBondContact O-N 3.48Å; E52-Q56 VanDerWaalsContact O-CG 3.3Å; E52-Q56 WeakPolarHBondContact O-CG 3.25Å; E52-Q56 PolarHBondContact O-N 2.8Å
53F92.6Very high81.5Confident107 Ų107105.6 Ų105.647%0.46958%0.577SS.*Hα-helixtrans-66.6-41.1178.5-177.3-93.7000111.3D49 P50 P51 Q56 R57D49-F53 HydrophobicContact CB-CB 4.29Å; D49-F53 HydrophobicContact CB-CD1 3.58Å; D49-F53 HydrophobicContact CB-CE1 4.33Å; D49-F53 HydrophobicContact CB-CG 4.31Å; D49-F53 VanDerWaalsContact CG-CD1 3.43Å; D49-F53 WeakPolarHBondContact OD2-CD1 3.47Å; D49-F53 WeakPolarHBondContact OD2-CE1 3.43Å; P50-F53 WeakPolarHBondContact O-CA 3.46Å; P50-F53 WeakPolarHBondContact O-CB 3.47Å; P50-F53 PolarHBondContact O-N 2.86Å; P51-F53 VanDerWaalsContact C-N 3.34Å; P51-F53 PolarHBondContact O-N 3.2Å; F53-Q56 PolarHBondContact O-N 3.47Å; F53-R57 WeakPolarHBondContact O-CB 3.33Å; F53-R57 PolarHBondContact O-N 2.73Å
54Q92.3Very high83.8Confident96 Ų96103.1 Ų103.145%0.44956%0.555SS.*Hα-helixtrans-64-42.1175.5-60.5-173.423.100111.3D49 P50 P51 R57 A58D49-Q54 HydrophobicContact CB-CG 3.82Å; D49-Q54 PolarHBondContact O-NE2 2.87Å; P50-Q54 PolarHBondContact O-N 3.44Å; P51-Q54 PolarHBondContact O-N 2.93Å; Q54-R57 PolarHBondContact O-N 3Å; Q54-A58 WeakPolarHBondContact O-CB 3.11Å; Q54-A58 PolarHBondContact O-N 2.89Å
55E95.1Very high86.5Confident97 Ų97108.9 Ų108.945%0.45356%0.558SS.*Hα-helixtrans-60.5-45.6174.6-75179.4-164.100112.2P51 E52 R57 A58 R59P51-E55 WeakPolarHBondContact O-CG 3.48Å; P51-E55 PolarHBondContact O-N 3.09Å; E52-E55 PolarHBondContact O-N 3.48Å; E55-R57 VanDerWaalsContact C-N 3.31Å; E55-R57 PolarHBondContact O-N 2.82Å; E55-A58 PolarHBondContact O-N 2.89Å; E55-R59 WeakPolarHBondContact O-CG 3.47Å; E55-R59 PolarHBondContact O-N 3.2Å; E55-R59 IonicContact OE2-CZ 3.91Å; E55-R59 IonicContact OE2-NH1 2.81Å; E55-R59 IonicContact OE2-NH2 3.67Å; E55-R59 PolarHBondContact OE2-NH2 2.74Å
56Q96.9Very high88.7Confident94 Ų94102.7 Ų102.744%0.43953%0.527SS..Hα-helixtrans-64.2-38.8178.3-67.5-62.2-3.300111.6E52 F53 R59 A60E52-Q56 VanDerWaalsContact O-CG 3.3Å; E52-Q56 WeakPolarHBondContact O-CG 3.25Å; E52-Q56 PolarHBondContact O-N 2.8Å; F53-Q56 PolarHBondContact O-N 3.47Å; Q56-R59 VanDerWaalsContact CD-NH1 3.31Å; Q56-R59 PolarHBondContact O-N 3.3Å; Q56-A60 WeakPolarHBondContact O-CB 3.47Å; Q56-A60 PolarHBondContact O-N 2.8Å
57R96.5Very high90.6Very high174 Ų174103.1 Ų103.166%0.65751%0.513SS*.Hα-helixtrans-62.9-42.7173.9-170.9176.6-173.5137.52.7111.7F53 Q54 E55 A60 A61F53-R57 WeakPolarHBondContact O-CB 3.33Å; F53-R57 PolarHBondContact O-N 2.73Å; Q54-R57 PolarHBondContact O-N 3Å; E55-R57 VanDerWaalsContact C-N 3.31Å; E55-R57 PolarHBondContact O-N 2.82Å; R57-A60 PolarHBondContact O-N 3.35Å; R57-A61 WeakPolarHBondContact O-CB 3.44Å; R57-A61 PolarHBondContact O-N 3.46Å
58A96.6Very high92.4Very high52 Ų52104.1 Ų104.143%0.4350%0.502SS..Hα-helixtrans-63.8-45.217600000111.7Q54 E55 A60 A61 L62Q54-A58 WeakPolarHBondContact O-CB 3.11Å; Q54-A58 PolarHBondContact O-N 2.89Å; E55-A58 PolarHBondContact O-N 2.89Å; A58-A60 PolarHBondContact O-N 3.45Å; A58-A61 PolarHBondContact O-N 3.28Å; A58-L62 WeakPolarHBondContact O-CG 3.45Å; A58-L62 PolarHBondContact O-N 3.42Å
59R97.3Very high93.6Very high125 Ų12598.4 Ų98.447%0.47248%0.48SS..Hα-helixtrans-58.4-46174.8-72.2176.4-167.8131.212.2111.4E55 Q56 L62 R63E55-R59 WeakPolarHBondContact O-CG 3.47Å; E55-R59 PolarHBondContact O-N 3.2Å; E55-R59 IonicContact OE2-CZ 3.91Å; E55-R59 IonicContact OE2-NH1 2.81Å; E55-R59 IonicContact OE2-NH2 3.67Å; E55-R59 PolarHBondContact OE2-NH2 2.74Å; Q56-R59 VanDerWaalsContact CD-NH1 3.31Å; Q56-R59 PolarHBondContact O-N 3.3Å; R59-L62 PolarHBondContact O-N 3.35Å; R59-R63 VanDerWaalsContact O-CB 3.24Å; R59-R63 WeakPolarHBondContact O-CB 3.42Å; R59-R63 PolarHBondContact O-N 2.71Å
60A97.3Very high94.6Very high58 Ų5895.2 Ų95.248%0.47946%0.463SS..Hα-helixtrans-61.6-46.1178.100000111.8Q56 R57 A58 L62 R63 E64Q56-A60 WeakPolarHBondContact O-CB 3.47Å; Q56-A60 PolarHBondContact O-N 2.8Å; R57-A60 PolarHBondContact O-N 3.35Å; A58-A60 PolarHBondContact O-N 3.45Å; A60-L62 PolarHBondContact O-N 3.12Å; A60-R63 PolarHBondContact O-N 2.8Å; A60-E64 WeakPolarHBondContact O-CB 3.5Å; A60-E64 PolarHBondContact O-N 3.01Å
61A97.9Very high95.1Very high47 Ų4797.7 Ų97.739%0.38847%0.471SS..Hα-helixtrans-63.8-41.7178.800000112.7R57 A58 R65R57-A61 WeakPolarHBondContact O-CB 3.44Å; R57-A61 PolarHBondContact O-N 3.46Å; A58-A61 PolarHBondContact O-N 3.28Å; A61-R65 WeakPolarHBondContact O-CG 3.45Å; A61-R65 PolarHBondContact O-N 3.36Å; A61-R65 VanDerWaalsContact O-N 3.14Å
62L97.8Very high95.5Very high114 Ų11494.3 Ų94.360%0.59745%0.452SS*.Hα-helixtrans-64.5-43.9174.6-71.8172.6000111.3A58 R59 A60 R65 Y66A58-L62 WeakPolarHBondContact O-CG 3.45Å; A58-L62 PolarHBondContact O-N 3.42Å; R59-L62 PolarHBondContact O-N 3.35Å; A60-L62 PolarHBondContact O-N 3.12Å; L62-R65 PolarHBondContact O-N 2.86Å; L62-Y66 WeakPolarHBondContact O-CB 3.44Å; L62-Y66 PolarHBondContact O-N 3.29Å
63R96.3Very high95.6Very high87 Ų8788 Ų8833%0.32842%0.422SS..Hα-helixtrans-62.9-43.2178.2-175.759.3173.7-177.3-0.3111.6R59 A60 Y66 L67 L97R59-R63 VanDerWaalsContact O-CB 3.24Å; R59-R63 WeakPolarHBondContact O-CB 3.42Å; R59-R63 PolarHBondContact O-N 2.71Å; A60-R63 PolarHBondContact O-N 2.8Å; R63-Y66 PolarHBondContact O-N 3.44Å; R63-L67 HydrophobicContact CG-CD1 4.17Å; R63-L67 HydrophobicContact CG-CG 4.37Å; R63-L67 WeakPolarHBondContact O-CB 3.48Å; R63-L67 VanDerWaalsContact O-CG 3.29Å; R63-L67 WeakPolarHBondContact O-CG 3.35Å; R63-L67 PolarHBondContact O-N 3.11Å; R63-L97 PolarHBondContact NH2-O 2.77Å
64E97.6Very high95.5Very high93 Ų9386.8 Ų86.844%0.43542%0.423SS..Hα-helixtrans-59.3-47.6176.5-178.7-174.3163.500111.6A60 Y66 L67 R68A60-E64 WeakPolarHBondContact O-CB 3.5Å; A60-E64 PolarHBondContact O-N 3.01Å; E64-Y66 VanDerWaalsContact C-N 3.32Å; E64-Y66 PolarHBondContact O-N 2.81Å; E64-L67 PolarHBondContact O-N 2.85Å; E64-R68 WeakPolarHBondContact O-CG 3.39Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 IonicContact OE1-CZ 2.99Å; E64-R68 IonicContact OE1-NH1 2.66Å; E64-R68 PolarHBondContact OE1-NH1 3Å; E64-R68 IonicContact OE1-NH2 2.65Å; E64-R68 PolarHBondContact OE1-NH2 2.92Å
65R97.4Very high95.2Very high180 Ų18085.2 Ų85.268%0.67943%0.433SS*.Hα-helixtrans-61.4-42.3176.6-70.5175.267.3-172.20.6111.7A61 L62 R68 S69A61-R65 WeakPolarHBondContact O-CG 3.45Å; A61-R65 PolarHBondContact O-N 3.36Å; A61-R65 VanDerWaalsContact O-N 3.14Å; L62-R65 PolarHBondContact O-N 2.86Å; R65-R68 PolarHBondContact O-N 3.42Å; R65-S69 PolarHBondContact O-N 3.48Å
66Y95Very high95.1Very high73 Ų7383.4 Ų83.429%0.28642%0.424SS..Hα-helixtrans-62.5-48.1176.5176.6-110.3000112L62 R63 E64 R68 S69 L70 V99L62-Y66 WeakPolarHBondContact O-CB 3.44Å; L62-Y66 PolarHBondContact O-N 3.29Å; R63-Y66 PolarHBondContact O-N 3.44Å; E64-Y66 VanDerWaalsContact C-N 3.32Å; E64-Y66 PolarHBondContact O-N 2.81Å; Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 2.63Å; Y66-S69 WeakPolarHBondContact O-CA 3.4Å; Y66-S69 WeakPolarHBondContact O-CB 3.46Å; Y66-S69 PolarHBondContact O-N 3.4Å; Y66-S69 PolarHBondContact O-OG 2.97Å; Y66-L70 HydrophobicContact CD1-CD1 4.19Å; Y66-L70 HydrophobicContact CE1-CD1 3.75Å; Y66-L70 HydrophobicContact CE1-CG 4.34Å; Y66-L70 HydrophobicContact CE2-CD2 4.38Å; Y66-L70 PolarHBondContact O-N 3.4Å; Y66-L70 VanDerWaalsContact O-N 3.07Å; Y66-V99 HydrophobicContact CE1-CB 4.45Å; Y66-V99 HydrophobicContact CE1-CG2 3.74Å; Y66-V99 WeakPolarHBondContact OH-CG1 3.34Å
67L94.8Very high95Very high75 Ų7582.4 Ų82.439%0.39343%0.426SS..Hα-helixtrans-61.2-38.9176.7-68.7176.9000112.5R63 E64 S69 L70 L71R63-L67 HydrophobicContact CG-CD1 4.17Å; R63-L67 HydrophobicContact CG-CG 4.37Å; R63-L67 WeakPolarHBondContact O-CB 3.48Å; R63-L67 VanDerWaalsContact O-CG 3.29Å; R63-L67 WeakPolarHBondContact O-CG 3.35Å; R63-L67 PolarHBondContact O-N 3.11Å; E64-L67 PolarHBondContact O-N 2.85Å; L67-S69 VanDerWaalsContact C-N 3.28Å; L67-S69 PolarHBondContact O-N 2.98Å; L67-L70 HydrophobicContact CD2-CD1 4.01Å; L67-L70 PolarHBondContact O-N 3.14Å; L67-L71 PolarHBondContact O-N 2.87Å
68R95.6Very high95.1Very high155 Ų15574.1 Ų74.159%0.58540%0.395SS*.Hα-helixtrans-62.4-36.5172.9-76-170.1179.5118.37.2112.3E64 R65 Y66 L71 A72E64-R68 WeakPolarHBondContact O-CG 3.39Å; E64-R68 PolarHBondContact O-N 3.27Å; E64-R68 IonicContact OE1-CZ 2.99Å; E64-R68 IonicContact OE1-NH1 2.66Å; E64-R68 PolarHBondContact OE1-NH1 3Å; E64-R68 IonicContact OE1-NH2 2.65Å; E64-R68 PolarHBondContact OE1-NH2 2.92Å; R65-R68 PolarHBondContact O-N 3.42Å; Y66-R68 VanDerWaalsContact C-N 3.33Å; Y66-R68 PolarHBondContact O-N 2.63Å; R68-L71 PolarHBondContact O-N 3.34Å; R68-A72 WeakPolarHBondContact O-CB 3.4Å; R68-A72 PolarHBondContact O-N 3.34Å
69S94Very high95.1Very high45 Ų4574.1 Ų74.132%0.31539%0.392SS..Hα-helixtrans-66.8-37.4176.278.90000112.4R65 Y66 L67 A72 M73R65-S69 PolarHBondContact O-N 3.48Å; Y66-S69 WeakPolarHBondContact O-CA 3.4Å; Y66-S69 WeakPolarHBondContact O-CB 3.46Å; Y66-S69 PolarHBondContact O-N 3.4Å; Y66-S69 PolarHBondContact O-OG 2.97Å; L67-S69 VanDerWaalsContact C-N 3.28Å; L67-S69 PolarHBondContact O-N 2.98Å; S69-A72 PolarHBondContact O-N 3.18Å; S69-M73 PolarHBondContact O-N 3.21Å
70L94Very high95.1Very high11 Ų1168.2 Ų68.26%0.05837%0.369CS..Hα-helixtrans-63.1-44.1173-62.1172000111.8Y66 L67 A72 M73 T95 V99Y66-L70 HydrophobicContact CD1-CD1 4.19Å; Y66-L70 HydrophobicContact CE1-CD1 3.75Å; Y66-L70 HydrophobicContact CE1-CG 4.34Å; Y66-L70 HydrophobicContact CE2-CD2 4.38Å; Y66-L70 PolarHBondContact O-N 3.4Å; Y66-L70 VanDerWaalsContact O-N 3.07Å; L67-L70 HydrophobicContact CD2-CD1 4.01Å; L67-L70 PolarHBondContact O-N 3.14Å; L70-A72 VanDerWaalsContact C-N 3.26Å; L70-A72 PolarHBondContact O-N 3.25Å; L70-M73 HydrophobicContact CB-CE 4.32Å; L70-M73 HydrophobicContact CD2-CE 3.38Å; L70-M73 HydrophobicContact CG-CE 4.4Å; L70-M73 WeakPolarHBondContact O-CB 3.45Å; L70-M73 PolarHBondContact O-N 3.43Å; L70-T95 HydrophobicContact CD1-CG2 3.84Å; L70-T95 HydrophobicContact CD2-CG2 4.26Å; L70-T95 HydrophobicContact CG-CG2 4.45Å; L70-V99 HydrophobicContact CD1-CG2 3.82Å
71L93.6Very high95.1Very high133 Ų13367.2 Ų67.270%0.69636%0.357SS*.Hα-helixtrans-63-36.3177.2-169.2146.9000111.5L67 R68 M73 V74L67-L71 PolarHBondContact O-N 2.87Å; R68-L71 PolarHBondContact O-N 3.34Å; L71-M73 PolarHBondContact O-N 2.84Å; L71-V74 WeakPolarHBondContact O-CB 3.26Å; L71-V74 WeakPolarHBondContact O-CG2 3.1Å; L71-V74 PolarHBondContact O-N 2.96Å
72A94.6Very high95.1Very high31 Ų3166.2 Ų66.226%0.25635%0.345SS..Hα-helixtrans-69-19.9178.200000113.7R68 S69 L70 V74 H76 F129 L131R68-A72 WeakPolarHBondContact O-CB 3.4Å; R68-A72 PolarHBondContact O-N 3.34Å; S69-A72 PolarHBondContact O-N 3.18Å; L70-A72 VanDerWaalsContact C-N 3.26Å; L70-A72 PolarHBondContact O-N 3.25Å; A72-V74 VanDerWaalsContact C-N 3.27Å; A72-V74 PolarHBondContact O-N 3.29Å; A72-H76 PolarHBondContact O-ND1 3.07Å; A72-H76 VanDerWaalsContact O-ND1 3.17Å; A72-F129 HydrophobicContact CB-CE2 4.34Å; A72-F129 HydrophobicContact CB-CZ 4.32Å; A72-L131 HydrophobicContact CB-CD2 3.53Å
73M94.3Very high95Very high0 Ų065.8 Ų65.80%034%0.34CS..THydrogen-bonded Turntrans-71.3-20.8172.6-71.6-166.9-72.200113.5S69 L70 L71 G75 H76 V78 F92 F102 Y127 F129S69-M73 PolarHBondContact O-N 3.21Å; L70-M73 HydrophobicContact CB-CE 4.32Å; L70-M73 HydrophobicContact CD2-CE 3.38Å; L70-M73 HydrophobicContact CG-CE 4.4Å; L70-M73 WeakPolarHBondContact O-CB 3.45Å; L70-M73 PolarHBondContact O-N 3.43Å; L71-M73 PolarHBondContact O-N 2.84Å; M73-G75 PolarHBondContact O-N 3.45Å; M73-H76 WeakPolarHBondContact O-CB 3.4Å; M73-H76 PolarHBondContact O-N 2.88Å; M73-V78 HydrophobicContact CB-CG2 4.26Å; M73-V78 HydrophobicContact CG-CG2 4.32Å; M73-V78 HydrophobicContact SD-CG1 4.22Å; M73-V78 HydrophobicContact SD-CG2 3.97Å; M73-F92 HydrophobicContact CB-CB 4.24Å; M73-F92 HydrophobicContact CB-CD1 3.65Å; M73-F92 HydrophobicContact CB-CE1 4.12Å; M73-F92 HydrophobicContact CB-CG 3.92Å; M73-F92 HydrophobicContact CE-CD2 4.34Å; M73-F92 HydrophobicContact CE-CE2 4.1Å; M73-F92 HydrophobicContact CE-CZ 4.23Å; M73-F102 HydrophobicContact CE-CE1 4.21Å; M73-Y127 HydrophobicContact CE-CD2 4.33Å; M73-Y127 HydrophobicContact CE-CE2 3.73Å; M73-Y127 HydrophobicContact SD-CD2 3.69Å; M73-Y127 HydrophobicContact SD-CE2 3.55Å; M73-Y127 VanDerWaalsContact SD-CE2 3.55Å; M73-F129 HydrophobicContact CB-CD2 4.39Å; M73-F129 HydrophobicContact CB-CE2 4.29Å; M73-F129 HydrophobicContact CB-CZ 4.4Å; M73-F129 HydrophobicContact CG-CD1 3.38Å; M73-F129 HydrophobicContact CG-CD2 3.78Å; M73-F129 HydrophobicContact CG-CE1 3.25Å; M73-F129 HydrophobicContact CG-CE2 3.63Å; M73-F129 HydrophobicContact CG-CG 3.65Å; M73-F129 HydrophobicContact CG-CZ 3.37Å; M73-F129 HydrophobicContact SD-CD1 3.75Å; M73-F129 HydrophobicContact SD-CE1 3.91Å; M73-F129 HydrophobicContact SD-CG 4.33Å
74V90.1Very high94.8Very high82 Ų8270.3 Ų70.350%0.49737%0.365SS..THydrogen-bonded Turntrans-58.2128.5-176.9177.90000109.9L71 A72 H76 F92L71-V74 WeakPolarHBondContact O-CB 3.26Å; L71-V74 WeakPolarHBondContact O-CG2 3.1Å; L71-V74 PolarHBondContact O-N 2.96Å; A72-V74 VanDerWaalsContact C-N 3.27Å; A72-V74 PolarHBondContact O-N 3.29Å; V74-H76 VanDerWaalsContact C-N 3.27Å; V74-H76 PolarHBondContact O-N 3.43Å; V74-H76 PolarHBondContact O-ND1 3.28Å; V74-F92 HydrophobicContact CG2-CD1 4.04Å; V74-F92 HydrophobicContact CG2-CE1 3.86Å
75G85.5Confident94.4Very high63 Ų6368.4 Ų68.465%0.64937%0.37SS*.THydrogen-bonded Turntrans800.9-178.900000115.3M73M73-G75 PolarHBondContact O-N 3.45Å
76H92.9Very high94.2Very high59 Ų5962.3 Ų62.327%0.27335%0.353SS..SBendtrans-106146.1176.3-63.380.9000111.4A72 M73 V74 V78 Q91 F92 F129 K130A72-H76 PolarHBondContact O-ND1 3.07Å; A72-H76 VanDerWaalsContact O-ND1 3.17Å; M73-H76 WeakPolarHBondContact O-CB 3.4Å; M73-H76 PolarHBondContact O-N 2.88Å; V74-H76 VanDerWaalsContact C-N 3.27Å; V74-H76 PolarHBondContact O-N 3.43Å; V74-H76 PolarHBondContact O-ND1 3.28Å; H76-V78 PolarHBondContact O-N 2.95Å; H76-Q91 VanDerWaalsContact C-OE1 3.27Å; H76-Q91 PolarHBondContact O-OE1 2.85Å; H76-F92 PolarHBondContact O-N 3.17Å; H76-F129 HydrophobicContact CB-CD2 4.29Å; H76-K130 PolarHBondContact CD2-O 3.27Å
77P95.9Very high94.3Very high74 Ų7465 Ų6548%0.48137%0.368SS..EExtended strand (participates in β ladder)trans-69.8131.1168.228.4-32.4000109.3T89 A90P77-T89 HydrophobicContact CB-CG2 4.21Å; P77-A90 WeakPolarHBondContact CA-O 3.27Å
78V97.6Very high94.5Very high0 Ų061.6 Ų61.60%035%0.35CS..EExtended strand (participates in β ladder)trans-114.5129.6179.7-175.10000108.6M73 H76 F80 T89 A90 F92 Y127 F129M73-V78 HydrophobicContact CB-CG2 4.26Å; M73-V78 HydrophobicContact CG-CG2 4.32Å; M73-V78 HydrophobicContact SD-CG1 4.22Å; M73-V78 HydrophobicContact SD-CG2 3.97Å; H76-V78 PolarHBondContact O-N 2.95Å; V78-F80 HydrophobicContact CB-CE2 3.72Å; V78-F80 HydrophobicContact CB-CZ 3.87Å; V78-F80 HydrophobicContact CG1-CD2 4.28Å; V78-F80 HydrophobicContact CG1-CE1 4.01Å; V78-F80 HydrophobicContact CG1-CE2 3.69Å; V78-F80 HydrophobicContact CG1-CZ 3.53Å; V78-F80 WeakPolarHBondContact O-CD2 3.35Å; V78-F80 WeakPolarHBondContact O-CE2 3.08Å; V78-T89 WeakPolarHBondContact O-CA 3.41Å; V78-A90 PolarHBondContact N-O 3.38Å; V78-A90 PolarHBondContact O-N 3Å; V78-F92 HydrophobicContact CG2-CB 3.59Å; V78-F92 HydrophobicContact CG2-CG 4.47Å; V78-Y127 HydrophobicContact CG1-CD2 4.23Å; V78-F129 HydrophobicContact CB-CB 4.49Å; V78-F129 HydrophobicContact CG1-CB 4.49Å; V78-F129 HydrophobicContact CG2-CB 3.96Å
79S97.8Very high94.6Very high51 Ų5156.7 Ų56.736%0.35734%0.338SS..EExtended strand (participates in β ladder)trans-95128.9173.3-64.40000109.6V88 T89 Y127 S128S79-V88 CarbonylContact C-O 3.58Å; S79-V88 WeakPolarHBondContact CA-O 3.48Å; S79-T89 PolarHBondContact OG-OG1 3.3Å; S79-Y127 CarbonylContact O-C 3.59Å; S79-Y127 WeakPolarHBondContact O-CA 3.43Å; S79-S128 PolarHBondContact N-O 3.43Å; S79-S128 PolarHBondContact O-N 3.03Å
80F97.6Very high94.7Very high1 Ų154.7 Ų54.70%0.00432%0.324CS..EExtended strand (participates in β ladder)trans-113.6135.9178.6-56.9-95.8000109.8V78 L82 H87 V88 A90 F102 V104 L119 I124 S126 Y127V78-F80 HydrophobicContact CB-CE2 3.72Å; V78-F80 HydrophobicContact CB-CZ 3.87Å; V78-F80 HydrophobicContact CG1-CD2 4.28Å; V78-F80 HydrophobicContact CG1-CE1 4.01Å; V78-F80 HydrophobicContact CG1-CE2 3.69Å; V78-F80 HydrophobicContact CG1-CZ 3.53Å; V78-F80 WeakPolarHBondContact O-CD2 3.35Å; V78-F80 WeakPolarHBondContact O-CE2 3.08Å; F80-L82 HydrophobicContact CB-CD2 4.07Å; F80-H87 WeakPolarHBondContact O-CA 3.46Å; F80-V88 HydrophobicContact CB-CG2 3.79Å; F80-V88 HydrophobicContact CD2-CG2 4.34Å; F80-V88 HydrophobicContact CG-CG2 4.47Å; F80-V88 PolarHBondContact N-O 3.39Å; F80-V88 PolarHBondContact O-N 3.3Å; F80-A90 HydrophobicContact CE2-CB 4.35Å; F80-F102 HydrophobicContact CE1-CB 4.39Å; F80-F102 AromaticContact CE1-CD1 3.85Å; F80-F102 HydrophobicContact CE1-CD1 3.85Å; F80-F102 HydrophobicContact CE1-CE1 4.29Å; F80-F102 HydrophobicContact CE1-CG 4.04Å; F80-F102 HydrophobicContact CZ-CD1 4.17Å; F80-F102 HydrophobicContact CZ-CG 4.49Å; F80-V104 HydrophobicContact CE2-CG1 4.15Å; F80-V104 HydrophobicContact CZ-CG1 4.03Å; F80-L119 HydrophobicContact CB-CD1 4.42Å; F80-L119 HydrophobicContact CD1-CD1 4.07Å; F80-L119 HydrophobicContact CD2-CD1 3.79Å; F80-L119 HydrophobicContact CE1-CD1 4.28Å; F80-L119 HydrophobicContact CE2-CD1 4Å; F80-L119 HydrophobicContact CG-CD1 3.83Å; F80-L119 HydrophobicContact CZ-CD1 4.25Å; F80-I124 HydrophobicContact CD1-CD1 3.95Å; F80-I124 HydrophobicContact CD1-CG1 4.28Å; F80-I124 HydrophobicContact CD1-CG2 4.19Å; F80-I124 HydrophobicContact CE1-CD1 4.2Å; F80-S126 WeakPolarHBondContact CA-O 3.24Å; F80-Y127 HydrophobicContact CE1-CG 4.4Å
81T97.6Very high94.9Very high37 Ų3757.4 Ų57.423%0.22734%0.336CS..EExtended strand (participates in β ladder)trans-99.5116.8165.8-60.40000107.6H87 I125 S126T81-H87 PolarHBondContact OG1-CD2 3.38Å; T81-I125 HydrophobicContact CG2-CB 4.46Å; T81-I125 WeakPolarHBondContact O-CB 3.27Å; T81-I125 PolarHBondContact O-N 2.81Å; T81-S126 PolarHBondContact N-O 3.06Å; T81-S126 PolarHBondContact O-N 3.38Å
82L96.6Very high95Very high26 Ų2651.6 Ų51.614%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-99.5176178.5-49.4-178.5000110.4F80 V86 V88 D123 I124 I125F80-L82 HydrophobicContact CB-CD2 4.07Å; L82-V86 HydrophobicContact CB-CB 4.28Å; L82-V86 HydrophobicContact CD1-CG1 4.4Å; L82-V86 PolarHBondContact N-O 3.17Å; L82-V88 HydrophobicContact CD1-CG1 4.1Å; L82-V88 HydrophobicContact CD1-CG2 3.89Å; L82-V88 HydrophobicContact CD2-CG2 4.42Å; L82-V88 HydrophobicContact CG-CG2 4.09Å; L82-D123 VanDerWaalsContact CA-O 3.25Å; L82-D123 WeakPolarHBondContact CA-O 3.36Å; L82-D123 WeakPolarHBondContact CB-O 3.47Å; L82-D123 WeakPolarHBondContact CD2-O 3.46Å; L82-I124 HydrophobicContact CD2-CB 4.42Å; L82-I124 HydrophobicContact CD2-CG1 3.8Å; L82-I125 WeakPolarHBondContact O-CD1 3.38Å
83H95.4Very high95Very high105 Ų10552.3 Ų52.349%0.48632%0.315SS..G310 helixtrans-57.2161.2169.1-74.2-76.6000112.8G85 V86 S122 D123H83-G85 PolarHBondContact O-N 3.42Å; H83-V86 PolarHBondContact O-N 2.94Å; H83-S122 PolarHBondContact CD2-O 2.77Å; H83-S122 PolarHBondContact NE2-O 2.69Å; H83-D123 PolarHBondContact N-O 3.34Å
84E92.3Very high95Very high183 Ų18354.4 Ų54.486%0.85533%0.333SS*.G310 helixtrans60.422.4-176.8-52.8-54.8138.900114.7V86E84-V86 HydrophobicContact CB-CG2 4.42Å; E84-V86 PolarHBondContact O-N 2.62Å
85G88.8Confident95.2Very high53 Ų5352.1 Ų52.155%0.54632%0.319SS..G310 helixtrans69.717.4178.100000113.8H83 H87H83-G85 PolarHBondContact O-N 3.42Å; G85-H87 PolarHBondContact O-CE1 3.36Å; G85-H87 VanDerWaalsContact O-CE1 3.29Å; G85-H87 PolarHBondContact O-ND1 3.03Å
86V95.1Very high95.6Very high52 Ų5251.1 Ų51.132%0.31530%0.299SS..  trans-76.9127.6179.5-179.90000109.5L82 H83 E84 V88L82-V86 HydrophobicContact CB-CB 4.28Å; L82-V86 HydrophobicContact CD1-CG1 4.4Å; L82-V86 PolarHBondContact N-O 3.17Å; H83-V86 PolarHBondContact O-N 2.94Å; E84-V86 HydrophobicContact CB-CG2 4.42Å; E84-V86 PolarHBondContact O-N 2.62Å; V86-V88 HydrophobicContact CG1-CG1 3.94Å
87H96.9Very high95Very high128 Ų12854.8 Ų54.859%0.59332%0.32SS*.EExtended strand (participates in β ladder)trans-111.8125.8176.5-63.674.5000108.7F80 T81 G85F80-H87 WeakPolarHBondContact O-CA 3.46Å; T81-H87 PolarHBondContact OG1-CD2 3.38Å; G85-H87 PolarHBondContact O-CE1 3.36Å; G85-H87 VanDerWaalsContact O-CE1 3.29Å; G85-H87 PolarHBondContact O-ND1 3.03Å
88V97.6Very high94.6Very high4 Ų457.7 Ų57.72%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-128.6150.9179.4-60.50000109.9S79 F80 L82 V86 L107 Q108 T109 L119S79-V88 CarbonylContact C-O 3.58Å; S79-V88 WeakPolarHBondContact CA-O 3.48Å; F80-V88 HydrophobicContact CB-CG2 3.79Å; F80-V88 HydrophobicContact CD2-CG2 4.34Å; F80-V88 HydrophobicContact CG-CG2 4.47Å; F80-V88 PolarHBondContact N-O 3.39Å; F80-V88 PolarHBondContact O-N 3.3Å; L82-V88 HydrophobicContact CD1-CG1 4.1Å; L82-V88 HydrophobicContact CD1-CG2 3.89Å; L82-V88 HydrophobicContact CD2-CG2 4.42Å; L82-V88 HydrophobicContact CG-CG2 4.09Å; V86-V88 HydrophobicContact CG1-CG1 3.94Å; V88-L107 HydrophobicContact CB-CD1 3.72Å; V88-L107 HydrophobicContact CG1-CD1 4.45Å; V88-L107 HydrophobicContact CG2-CD1 3.67Å; V88-Q108 WeakPolarHBondContact CA-O 3.48Å; V88-Q108 WeakPolarHBondContact CB-O 3.21Å; V88-T109 HydrophobicContact CG1-CG2 4.36Å; V88-L119 HydrophobicContact CG2-CD1 4.45Å
89T97.9Very high93.9Very high53 Ų5358.2 Ų58.233%0.32534%0.335SS..EExtended strand (participates in β ladder)trans-123.7138.4174.3-59.70000108.4P77 V78 S79 Q108P77-T89 HydrophobicContact CB-CG2 4.21Å; V78-T89 WeakPolarHBondContact O-CA 3.41Å; S79-T89 PolarHBondContact OG-OG1 3.3Å; T89-Q108 WeakPolarHBondContact O-CB 3.48Å; T89-Q108 PolarHBondContact O-N 3.5Å
90A97.6Very high93.2Very high3 Ų357.8 Ų57.83%0.02533%0.334CS..EExtended strand (participates in β ladder)trans-149.5162.5178.700000111.1P77 V78 F80 V104 L107P77-A90 WeakPolarHBondContact CA-O 3.27Å; V78-A90 PolarHBondContact N-O 3.38Å; V78-A90 PolarHBondContact O-N 3Å; F80-A90 HydrophobicContact CE2-CB 4.35Å; A90-V104 HydrophobicContact CB-CB 3.6Å; A90-V104 HydrophobicContact CB-CG1 4.18Å; A90-V104 HydrophobicContact CB-CG2 3.69Å; A90-L107 HydrophobicContact CB-CB 4.11Å; A90-L107 HydrophobicContact CB-CD1 3.72Å
91Q97Very high93.1Very high67 Ų6759.5 Ų59.531%0.31334%0.343SS..EExtended strand (participates in β ladder)trans-81123.8170.2-63.8-71.438.700109.5H76 G93 V104 S105H76-Q91 VanDerWaalsContact C-OE1 3.27Å; H76-Q91 PolarHBondContact O-OE1 2.85Å; Q91-G93 PolarHBondContact O-N 3.48Å; Q91-V104 VanDerWaalsContact O-CA 3.24Å; Q91-V104 WeakPolarHBondContact O-CA 3.49Å; Q91-V104 WeakPolarHBondContact O-CB 3.46Å; Q91-S105 PolarHBondContact N-O 3.39Å; Q91-S105 PolarHBondContact O-N 3.31Å
92F96.1Very high93Very high12 Ų1258 Ų585%0.05333%0.333CS..EExtended strand (participates in β ladder)trans-72.1122.9177.3177.6-98.4000110.7M73 V74 H76 V78 A94 T95 F102M73-F92 HydrophobicContact CB-CB 4.24Å; M73-F92 HydrophobicContact CB-CD1 3.65Å; M73-F92 HydrophobicContact CB-CE1 4.12Å; M73-F92 HydrophobicContact CB-CG 3.92Å; M73-F92 HydrophobicContact CE-CD2 4.34Å; M73-F92 HydrophobicContact CE-CE2 4.1Å; M73-F92 HydrophobicContact CE-CZ 4.23Å; V74-F92 HydrophobicContact CG2-CD1 4.04Å; V74-F92 HydrophobicContact CG2-CE1 3.86Å; H76-F92 PolarHBondContact O-N 3.17Å; V78-F92 HydrophobicContact CG2-CB 3.59Å; V78-F92 HydrophobicContact CG2-CG 4.47Å; F92-A94 WeakPolarHBondContact CE2-O 3.15Å; F92-T95 HydrophobicContact CZ-CG2 4.11Å; F92-F102 AromaticContact CD2-CD1 3.94Å; F92-F102 HydrophobicContact CD2-CD1 3.94Å; F92-F102 AromaticContact CE2-CD1 3.64Å; F92-F102 HydrophobicContact CE2-CD1 3.64Å; F92-F102 HydrophobicContact CE2-CE1 4.13Å
93G93.6Very high93Very high45 Ų4562.2 Ų62.246%0.46435%0.348SS..EExtended strand (participates in β ladder)trans-97.7-63.7173.400000111.4Q91 Y103Q91-G93 PolarHBondContact O-N 3.48Å; G93-Y103 WeakPolarHBondContact CA-O 3.41Å; G93-Y103 PolarHBondContact N-O 3.45Å
94A94.2Very high93.1Very high45 Ų4557.3 Ų57.337%0.37233%0.326SS..EExtended strand (participates in β ladder)trans-154.9169.9-175.700000112.3F92 Y103F92-A94 WeakPolarHBondContact CE2-O 3.15Å; A94-Y103 HydrophobicContact CB-CD2 4.27Å; A94-Y103 PolarHBondContact N-O 3.08Å; A94-Y103 VanDerWaalsContact N-O 3.11Å; A94-Y103 PolarHBondContact O-N 3.42Å
95T95.2Very high93.3Very high34 Ų3449.9 Ų49.921%0.20930%0.295CS..EExtended strand (participates in β ladder)trans-137.3154.7167.1-173.80000109.3L70 F92 V99 N101L70-T95 HydrophobicContact CD1-CG2 3.84Å; L70-T95 HydrophobicContact CD2-CG2 4.26Å; L70-T95 HydrophobicContact CG-CG2 4.45Å; F92-T95 HydrophobicContact CZ-CG2 4.11Å; T95-V99 HydrophobicContact CG2-CG1 4.44Å; T95-V99 HydrophobicContact CG2-CG2 4.31Å; T95-V99 WeakPolarHBondContact OG1-CG1 3.29Å; T95-N101 VanDerWaalsContact CA-O 3.26Å; T95-N101 WeakPolarHBondContact CA-O 3.24Å; T95-N101 WeakPolarHBondContact CB-O 3.39Å; T95-N101 PolarHBondContact OG1-O 3.39Å
96D93Very high93.7Very high41 Ų4153.2 Ų53.222%0.21930%0.296CS..  trans-71.5165.9173.655-3.9000111.7D98 V99 A100 N101D96-D98 PolarHBondContact O-N 2.9Å; D96-V99 PolarHBondContact O-N 2.93Å; D96-V99 VanDerWaalsContact OD1-C 3.26Å; D96-V99 WeakPolarHBondContact OD1-CA 3.49Å; D96-V99 PolarHBondContact OD1-N 3.33Å; D96-V99 VanDerWaalsContact OD1-N 3.12Å; D96-A100 PolarHBondContact OD1-N 3.06Å; D96-A100 WeakPolarHBondContact OD2-CB 3.36Å; D96-N101 PolarHBondContact N-O 2.86Å; D96-N101 PolarHBondContact OD1-N 2.93Å; D96-N101 PolarHBondContact OD2-N 2.98Å; D96-N101 PolarHBondContact OD2-ND2 3.36Å
97L80.6Confident93.9Very high137 Ų13751.1 Ų51.172%0.71728%0.283SS*.THydrogen-bonded Turntrans-59.9-39.1-175.1-174.167.7000111.5R63 V99R63-L97 PolarHBondContact NH2-O 2.77Å; L97-V99 PolarHBondContact O-N 2.55Å
98D87.6Confident93.9Very high135 Ų13550.9 Ų50.972%0.72228%0.282SS*.THydrogen-bonded Turntrans-83.9-3.6-178.8-58.6-32.7000112.6D96 A100D96-D98 PolarHBondContact O-N 2.9Å; D98-A100 PolarHBondContact O-N 3.37Å
99V83.1Confident93.8Very high11 Ų1152.8 Ų52.87%0.06729%0.294CS..SBendtrans54.438.5-176.7-163.10000112.4Y66 L70 T95 D96 L97 N101 F102Y66-V99 HydrophobicContact CE1-CB 4.45Å; Y66-V99 HydrophobicContact CE1-CG2 3.74Å; Y66-V99 WeakPolarHBondContact OH-CG1 3.34Å; L70-V99 HydrophobicContact CD1-CG2 3.82Å; T95-V99 HydrophobicContact CG2-CG1 4.44Å; T95-V99 HydrophobicContact CG2-CG2 4.31Å; T95-V99 WeakPolarHBondContact OG1-CG1 3.29Å; D96-V99 PolarHBondContact O-N 2.93Å; D96-V99 VanDerWaalsContact OD1-C 3.26Å; D96-V99 WeakPolarHBondContact OD1-CA 3.49Å; D96-V99 PolarHBondContact OD1-N 3.33Å; D96-V99 VanDerWaalsContact OD1-N 3.12Å; L97-V99 PolarHBondContact O-N 2.55Å; V99-N101 VanDerWaalsContact C-N 3.35Å; V99-F102 HydrophobicContact CG1-CE2 4Å; V99-F102 HydrophobicContact CG1-CZ 3.79Å
100A84.3Confident93.5Very high42 Ų4255.5 Ų55.535%0.34731%0.312SS..  trans-82.8-15171.500000111.7D96 D98 C121D96-A100 PolarHBondContact OD1-N 3.06Å; D96-A100 WeakPolarHBondContact OD2-CB 3.36Å; D98-A100 PolarHBondContact O-N 3.37Å; A100-C121 WeakPolarHBondContact O-CB 3.37Å; A100-C121 PolarHBondContact O-N 3.35Å
101N94.4Very high93.3Very high37 Ų3763.5 Ų63.520%0.19835%0.353CS..EExtended strand (participates in β ladder)trans-147.2146.5-177-54.9-77.5000113.4T95 D96 V99 L118 L119T95-N101 VanDerWaalsContact CA-O 3.26Å; T95-N101 WeakPolarHBondContact CA-O 3.24Å; T95-N101 WeakPolarHBondContact CB-O 3.39Å; T95-N101 PolarHBondContact OG1-O 3.39Å; D96-N101 PolarHBondContact N-O 2.86Å; D96-N101 PolarHBondContact OD1-N 2.93Å; D96-N101 PolarHBondContact OD2-N 2.98Å; D96-N101 PolarHBondContact OD2-ND2 3.36Å; V99-N101 VanDerWaalsContact C-N 3.35Å; N101-L118 HydrophobicContact CB-CD1 3.72Å; N101-L118 HydrophobicContact CB-CG 4.26Å; N101-L119 CarbonylContact C-O 3.49Å; N101-L119 WeakPolarHBondContact CA-O 3.3Å
102F96.3Very high93.2Very high4 Ų461.9 Ų61.92%0.01835%0.354CS..EExtended strand (participates in β ladder)trans-115.4118.4175.6-68.1-104.8000109.7M73 F80 F92 V99 V104 L118 L119 I124 Y127M73-F102 HydrophobicContact CE-CE1 4.21Å; F80-F102 HydrophobicContact CE1-CB 4.39Å; F80-F102 AromaticContact CE1-CD1 3.85Å; F80-F102 HydrophobicContact CE1-CD1 3.85Å; F80-F102 HydrophobicContact CE1-CE1 4.29Å; F80-F102 HydrophobicContact CE1-CG 4.04Å; F80-F102 HydrophobicContact CZ-CD1 4.17Å; F80-F102 HydrophobicContact CZ-CG 4.49Å; F92-F102 AromaticContact CD2-CD1 3.94Å; F92-F102 HydrophobicContact CD2-CD1 3.94Å; F92-F102 AromaticContact CE2-CD1 3.64Å; F92-F102 HydrophobicContact CE2-CD1 3.64Å; F92-F102 HydrophobicContact CE2-CE1 4.13Å; V99-F102 HydrophobicContact CG1-CE2 4Å; V99-F102 HydrophobicContact CG1-CZ 3.79Å; F102-V104 HydrophobicContact CB-CG1 4.19Å; F102-L118 WeakPolarHBondContact O-CA 3.49Å; F102-L119 HydrophobicContact CB-CB 4.3Å; F102-L119 PolarHBondContact N-O 2.97Å; F102-L119 PolarHBondContact O-N 2.84Å; F102-I124 HydrophobicContact CD2-CD1 3.42Å; F102-I124 VanDerWaalsContact CD2-CD1 3.42Å; F102-I124 HydrophobicContact CE2-CD1 3.84Å; F102-I124 HydrophobicContact CG-CD1 4.14Å; F102-Y127 HydrophobicContact CE1-CD1 4.38Å; F102-Y127 HydrophobicContact CE1-CE1 4.28Å; F102-Y127 AromaticContact CZ-CD1 4Å; F102-Y127 HydrophobicContact CZ-CD1 4Å; F102-Y127 AromaticContact CZ-CE1 3.75Å; F102-Y127 HydrophobicContact CZ-CE1 3.75Å
103Y96.4Very high93.3Very high115 Ų11566.1 Ų66.145%0.45138%0.381SS..EExtended strand (participates in β ladder)trans-87.9116.4172.3-60.8-95.4000107.9G93 A94 L118G93-Y103 WeakPolarHBondContact CA-O 3.41Å; G93-Y103 PolarHBondContact N-O 3.45Å; A94-Y103 HydrophobicContact CB-CD2 4.27Å; A94-Y103 PolarHBondContact N-O 3.08Å; A94-Y103 VanDerWaalsContact N-O 3.11Å; A94-Y103 PolarHBondContact O-N 3.42Å; Y103-L118 HydrophobicContact CD1-CD1 3.54Å; Y103-L118 HydrophobicContact CD2-CD1 4.05Å; Y103-L118 HydrophobicContact CE1-CD1 3.41Å; Y103-L118 VanDerWaalsContact CE1-CD1 3.41Å; Y103-L118 HydrophobicContact CE2-CD1 3.93Å; Y103-L118 HydrophobicContact CG-CD1 3.86Å
104V96.8Very high93.5Very high2 Ų268.9 Ų68.91%0.01238%0.382CS..EExtended strand (participates in β ladder)trans-133.1148.6-173.7-57.60000111.1F80 A90 Q91 F102 L107 A117 L119F80-V104 HydrophobicContact CE2-CG1 4.15Å; F80-V104 HydrophobicContact CZ-CG1 4.03Å; A90-V104 HydrophobicContact CB-CB 3.6Å; A90-V104 HydrophobicContact CB-CG1 4.18Å; A90-V104 HydrophobicContact CB-CG2 3.69Å; Q91-V104 VanDerWaalsContact O-CA 3.24Å; Q91-V104 WeakPolarHBondContact O-CA 3.49Å; Q91-V104 WeakPolarHBondContact O-CB 3.46Å; F102-V104 HydrophobicContact CB-CG1 4.19Å; V104-L107 HydrophobicContact CG2-CB 4.27Å; V104-L107 HydrophobicContact CG2-CD1 4.41Å; V104-A117 HydrophobicContact CG2-CB 3.99Å; V104-A117 PolarHBondContact N-O 2.81Å; V104-A117 PolarHBondContact O-N 3.34Å; V104-L119 HydrophobicContact CG2-CD1 4.23Å; V104-L119 HydrophobicContact CG2-CG 4.2Å
105S97.3Very high93.6Very high28 Ų2870.1 Ų70.120%0.19639%0.392CS..EExtended strand (participates in β ladder)trans-114.1159.1173640000111Q91 L107 A115 E116Q91-S105 PolarHBondContact N-O 3.39Å; Q91-S105 PolarHBondContact O-N 3.31Å; S105-L107 VanDerWaalsContact C-N 3.27Å; S105-L107 PolarHBondContact O-N 2.89Å; S105-A115 CarbonylContact C-O 3.51Å; S105-A115 VanDerWaalsContact CA-O 3.25Å; S105-A115 WeakPolarHBondContact CA-O 3.26Å; S105-A115 WeakPolarHBondContact CB-O 3.33Å; S105-E116 WeakPolarHBondContact CB-OE1 3.47Å; S105-E116 WeakPolarHBondContact CB-OE2 3.39Å
106Q97.3Very high93.7Very high122 Ų12274.9 Ų74.957%0.5741%0.412SS*.EExtended strand (participates in β ladder)trans52.545-179.6-57.1176.556.500112.4Q108 V113 Q114 A115Q106-Q108 PolarHBondContact O-N 2.84Å; Q106-Q108 VanDerWaalsContact O-N 3.09Å; Q106-V113 HydrophobicContact CB-CG1 4.49Å; Q106-Q114 CarbonylContact C-O 3.51Å; Q106-Q114 WeakPolarHBondContact CA-O 3.36Å; Q106-Q114 PolarHBondContact N-O 2.84Å; Q106-A115 PolarHBondContact N-O 2.9Å
107L97.8Very high93.9Very high9 Ų973.6 Ų73.65%0.04741%0.407CS..EExtended strand (participates in β ladder)trans-66.5109.9179.3176.167000109.7V88 A90 V104 S105 T109 V113 Q114 A117 L119V88-L107 HydrophobicContact CB-CD1 3.72Å; V88-L107 HydrophobicContact CG1-CD1 4.45Å; V88-L107 HydrophobicContact CG2-CD1 3.67Å; A90-L107 HydrophobicContact CB-CB 4.11Å; A90-L107 HydrophobicContact CB-CD1 3.72Å; V104-L107 HydrophobicContact CG2-CB 4.27Å; V104-L107 HydrophobicContact CG2-CD1 4.41Å; S105-L107 VanDerWaalsContact C-N 3.27Å; S105-L107 PolarHBondContact O-N 2.89Å; L107-T109 HydrophobicContact CD2-CG2 4.2Å; L107-T109 HydrophobicContact CG-CG2 4.02Å; L107-T109 PolarHBondContact O-N 3.32Å; L107-V113 WeakPolarHBondContact O-CA 3.32Å; L107-Q114 HydrophobicContact CB-CB 4.34Å; L107-Q114 PolarHBondContact N-O 3.23Å; L107-Q114 PolarHBondContact O-N 3.25Å; L107-A117 HydrophobicContact CB-CB 4.06Å; L107-A117 HydrophobicContact CD2-CB 3.53Å; L107-A117 HydrophobicContact CG-CB 4.43Å; L107-L119 HydrophobicContact CD1-CD1 4.26Å; L107-L119 HydrophobicContact CD2-CD2 3.98Å
108Q97.8Very high94.7Very high122 Ų12271 Ų7157%0.5739%0.394SS*.EExtended strand (participates in β ladder)trans-85.9111.1177.8-169.9162.38.900110V88 T89 Q106 V113V88-Q108 WeakPolarHBondContact CA-O 3.48Å; V88-Q108 WeakPolarHBondContact CB-O 3.21Å; T89-Q108 WeakPolarHBondContact O-CB 3.48Å; T89-Q108 PolarHBondContact O-N 3.5Å; Q106-Q108 PolarHBondContact O-N 2.84Å; Q106-Q108 VanDerWaalsContact O-N 3.09Å; Q108-V113 HydrophobicContact CG-CG2 4.46Å
109T95.4Very high95.2Very high44 Ų4465.3 Ų65.327%0.2736%0.363SS..EExtended strand (participates in β ladder)trans-108.1164.517574.20000110V88 L107 I111 G112V88-T109 HydrophobicContact CG1-CG2 4.36Å; L107-T109 HydrophobicContact CD2-CG2 4.2Å; L107-T109 HydrophobicContact CG-CG2 4.02Å; L107-T109 PolarHBondContact O-N 3.32Å; T109-I111 PolarHBondContact O-N 3.12Å; T109-I111 VanDerWaalsContact O-N 3.11Å; T109-I111 PolarHBondContact OG1-N 3.46Å; T109-G112 WeakPolarHBondContact CA-O 3.41Å; T109-G112 PolarHBondContact N-O 2.93Å; T109-G112 PolarHBondContact O-N 3.19Å; T109-G112 VanDerWaalsContact O-O 3.12Å; T109-G112 PolarHBondContact OG1-N 3.14Å; T109-G112 PolarHBondContact OG1-O 3.37Å
110P91.6Very high95.8Very high111 Ų11171.1 Ų71.172%0.72138%0.384SS*.THydrogen-bonded Turntrans-58.2-24.5176.3-2736.1000114.7
111I93.9Very high96.3Very high170 Ų17072.1 Ų72.187%0.87239%0.387SS*.THydrogen-bonded Turntrans-93.8-20.3-175.8-51.8174.7000111.1T109T109-I111 PolarHBondContact O-N 3.12Å; T109-I111 VanDerWaalsContact O-N 3.11Å; T109-I111 PolarHBondContact OG1-N 3.46Å
112G94.9Very high96.4Very high34 Ų3474 Ų7435%0.35140%0.404SS..EExtended strand (participates in β ladder)trans159.9-170.1-179.200000113.3T109T109-G112 WeakPolarHBondContact CA-O 3.41Å; T109-G112 PolarHBondContact N-O 2.93Å; T109-G112 PolarHBondContact O-N 3.19Å; T109-G112 VanDerWaalsContact O-O 3.12Å; T109-G112 PolarHBondContact OG1-N 3.14Å; T109-G112 PolarHBondContact OG1-O 3.37Å
113V97.8Very high96.3Very high101 Ų10176 Ų7661%0.61242%0.415SS*.EExtended strand (participates in β ladder)trans-103.2124.5-179.1-177.30000109.7Q106 L107 Q108Q106-V113 HydrophobicContact CB-CG1 4.49Å; L107-V113 WeakPolarHBondContact O-CA 3.32Å; Q108-V113 HydrophobicContact CG-CG2 4.46Å
114Q97.4Very high96.3Very high102 Ų10271.5 Ų71.548%0.47740%0.398SS..EExtended strand (participates in β ladder)trans-96.6123.7171.4-178.6171.2-34.200109.3Q106 L107 E116 A117Q106-Q114 CarbonylContact C-O 3.51Å; Q106-Q114 WeakPolarHBondContact CA-O 3.36Å; Q106-Q114 PolarHBondContact N-O 2.84Å; L107-Q114 HydrophobicContact CB-CB 4.34Å; L107-Q114 PolarHBondContact N-O 3.23Å; L107-Q114 PolarHBondContact O-N 3.25Å; Q114-E116 WeakPolarHBondContact CG-O 3.16Å; Q114-E116 PolarHBondContact NE2-O 3.08Å; Q114-E116 PolarHBondContact O-N 2.96Å; Q114-A117 HydrophobicContact CG-CB 4.32Å
115A97.3Very high96.3Very high71 Ų7176.5 Ų76.559%0.58742%0.423SS*.EExtended strand (participates in β ladder)trans-60.1-46.8-173.600000112.5S105 Q106S105-A115 CarbonylContact C-O 3.51Å; S105-A115 VanDerWaalsContact CA-O 3.25Å; S105-A115 WeakPolarHBondContact CA-O 3.26Å; S105-A115 WeakPolarHBondContact CB-O 3.33Å; Q106-A115 PolarHBondContact N-O 2.9Å
116E97.6Very high96.2Very high134 Ų13477.9 Ų77.963%0.62643%0.433SS*.EExtended strand (participates in β ladder)trans-136.9136.3179.2-63.2-61.2151.300109.4S105 Q114S105-E116 WeakPolarHBondContact CB-OE1 3.47Å; S105-E116 WeakPolarHBondContact CB-OE2 3.39Å; Q114-E116 WeakPolarHBondContact CG-O 3.16Å; Q114-E116 PolarHBondContact NE2-O 3.08Å; Q114-E116 PolarHBondContact O-N 2.96Å
117A97.3Very high96.2Very high14 Ų1475.4 Ų75.412%0.11642%0.419CS..EExtended strand (participates in β ladder)trans-147153.7-177.500000112.5V104 L107 Q114V104-A117 HydrophobicContact CG2-CB 3.99Å; V104-A117 PolarHBondContact N-O 2.81Å; V104-A117 PolarHBondContact O-N 3.34Å; L107-A117 HydrophobicContact CB-CB 4.06Å; L107-A117 HydrophobicContact CD2-CB 3.53Å; L107-A117 HydrophobicContact CG-CB 4.43Å; Q114-A117 HydrophobicContact CG-CB 4.32Å
118L97.1Very high96.1Very high84 Ų8478.5 Ų78.544%0.4444%0.442SS..EExtended strand (participates in β ladder)trans-113112.4169.5-174.371.4000108.3N101 F102 Y103N101-L118 HydrophobicContact CB-CD1 3.72Å; N101-L118 HydrophobicContact CB-CG 4.26Å; F102-L118 WeakPolarHBondContact O-CA 3.49Å; Y103-L118 HydrophobicContact CD1-CD1 3.54Å; Y103-L118 HydrophobicContact CD2-CD1 4.05Å; Y103-L118 HydrophobicContact CE1-CD1 3.41Å; Y103-L118 VanDerWaalsContact CE1-CD1 3.41Å; Y103-L118 HydrophobicContact CE2-CD1 3.93Å; Y103-L118 HydrophobicContact CG-CD1 3.86Å
119L96.8Very high96.1Very high14 Ų1475.2 Ų75.27%0.07343%0.426CS..EExtended strand (participates in β ladder)trans-92.3119.6171.6-61.2176.5000109F80 V88 N101 F102 V104 L107 I124F80-L119 HydrophobicContact CB-CD1 4.42Å; F80-L119 HydrophobicContact CD1-CD1 4.07Å; F80-L119 HydrophobicContact CD2-CD1 3.79Å; F80-L119 HydrophobicContact CE1-CD1 4.28Å; F80-L119 HydrophobicContact CE2-CD1 4Å; F80-L119 HydrophobicContact CG-CD1 3.83Å; F80-L119 HydrophobicContact CZ-CD1 4.25Å; V88-L119 HydrophobicContact CG2-CD1 4.45Å; N101-L119 CarbonylContact C-O 3.49Å; N101-L119 WeakPolarHBondContact CA-O 3.3Å; F102-L119 HydrophobicContact CB-CB 4.3Å; F102-L119 PolarHBondContact N-O 2.97Å; F102-L119 PolarHBondContact O-N 2.84Å; V104-L119 HydrophobicContact CG2-CD1 4.23Å; V104-L119 HydrophobicContact CG2-CG 4.2Å; L107-L119 HydrophobicContact CD1-CD1 4.26Å; L107-L119 HydrophobicContact CD2-CD2 3.98Å; L119-I124 HydrophobicContact CB-CD1 3.86Å; L119-I124 HydrophobicContact CB-CG1 4.31Å
120R96.2Very high96Very high133 Ų13381.9 Ų81.950%0.50245%0.451SS..EExtended strand (participates in β ladder)trans-77.8145.7176.8-58.4172.6-64.2176.56.4109.4S122 D123R120-S122 PolarHBondContact O-N 3.07Å; R120-D123 IonicContact CZ-OD1 3.63Å; R120-D123 IonicContact CZ-OD2 3.3Å; R120-D123 VanDerWaalsContact CZ-OD2 3.3Å; R120-D123 IonicContact NE-OD1 2.77Å; R120-D123 IonicContact NE-OD2 3.7Å; R120-D123 PolarHBondContact NE-OD2 2.65Å; R120-D123 VanDerWaalsContact NH2-CG 3.34Å; R120-D123 IonicContact NH2-OD1 2.91Å; R120-D123 PolarHBondContact NH2-OD1 2.66Å; R120-D123 IonicContact NH2-OD2 2.93Å; R120-D123 PolarHBondContact NH2-OD2 2.91Å; R120-D123 WeakPolarHBondContact O-CB 3.44Å; R120-D123 PolarHBondContact O-N 2.9Å
121C95.1Very high95.9Very high63 Ų6385 Ų8543%0.42646%0.46SS..G310 helixtrans-60.4-29.7176.9-175.20000111.8A100 D123 I124A100-C121 WeakPolarHBondContact O-CB 3.37Å; A100-C121 PolarHBondContact O-N 3.35Å; C121-D123 PolarHBondContact O-N 2.98Å; C121-I124 PolarHBondContact O-N 2.94Å
122S95.7Very high96Very high78 Ų7880.8 Ų80.855%0.54544%0.44SS..G310 helixtrans-64.8-21.6174.560.50000113.8H83 R120H83-S122 PolarHBondContact CD2-O 2.77Å; H83-S122 PolarHBondContact NE2-O 2.69Å; R120-S122 PolarHBondContact O-N 3.07Å
123D95.4Very high96.1Very high46 Ų4683.2 Ų83.225%0.24644%0.444CS..G310 helixtrans-93.2-15.5-177.9-55.8-27.4000111.5L82 H83 R120 C121L82-D123 VanDerWaalsContact CA-O 3.25Å; L82-D123 WeakPolarHBondContact CA-O 3.36Å; L82-D123 WeakPolarHBondContact CB-O 3.47Å; L82-D123 WeakPolarHBondContact CD2-O 3.46Å; H83-D123 PolarHBondContact N-O 3.34Å; R120-D123 IonicContact CZ-OD1 3.63Å; R120-D123 IonicContact CZ-OD2 3.3Å; R120-D123 VanDerWaalsContact CZ-OD2 3.3Å; R120-D123 IonicContact NE-OD1 2.77Å; R120-D123 IonicContact NE-OD2 3.7Å; R120-D123 PolarHBondContact NE-OD2 2.65Å; R120-D123 VanDerWaalsContact NH2-CG 3.34Å; R120-D123 IonicContact NH2-OD1 2.91Å; R120-D123 PolarHBondContact NH2-OD1 2.66Å; R120-D123 IonicContact NH2-OD2 2.93Å; R120-D123 PolarHBondContact NH2-OD2 2.91Å; R120-D123 WeakPolarHBondContact O-CB 3.44Å; R120-D123 PolarHBondContact O-N 2.9Å; C121-D123 PolarHBondContact O-N 2.98Å
124I96.1Very high96Very high20 Ų2082.2 Ų82.210%0.10344%0.435CS..EExtended strand (participates in β ladder)trans-101.7126.4-172.5-59.6164.9000110F80 L82 F102 L119 C121 S126F80-I124 HydrophobicContact CD1-CD1 3.95Å; F80-I124 HydrophobicContact CD1-CG1 4.28Å; F80-I124 HydrophobicContact CD1-CG2 4.19Å; F80-I124 HydrophobicContact CE1-CD1 4.2Å; L82-I124 HydrophobicContact CD2-CB 4.42Å; L82-I124 HydrophobicContact CD2-CG1 3.8Å; F102-I124 HydrophobicContact CD2-CD1 3.42Å; F102-I124 VanDerWaalsContact CD2-CD1 3.42Å; F102-I124 HydrophobicContact CE2-CD1 3.84Å; F102-I124 HydrophobicContact CG-CD1 4.14Å; L119-I124 HydrophobicContact CB-CD1 3.86Å; L119-I124 HydrophobicContact CB-CG1 4.31Å; C121-I124 PolarHBondContact O-N 2.94Å; I124-S126 WeakPolarHBondContact CG2-O 3.36Å
125I96.4Very high95.9Very high106 Ų10681.1 Ų81.154%0.54443%0.433SS..EExtended strand (participates in β ladder)trans-87.2-44.5170.8-59.7175.9000109.9T81 L82T81-I125 HydrophobicContact CG2-CB 4.46Å; T81-I125 WeakPolarHBondContact O-CB 3.27Å; T81-I125 PolarHBondContact O-N 2.81Å; L82-I125 WeakPolarHBondContact O-CD1 3.38Å
126S96.1Very high95.8Very high57 Ų5781.7 Ų81.740%0.39942%0.423SS..EExtended strand (participates in β ladder)trans-157.5162.5179.665.70000111.6F80 T81 I124F80-S126 WeakPolarHBondContact CA-O 3.24Å; T81-S126 PolarHBondContact N-O 3.06Å; T81-S126 PolarHBondContact O-N 3.38Å; I124-S126 WeakPolarHBondContact CG2-O 3.36Å
127Y96.1Very high95.7Very high71 Ų7178.2 Ų78.228%0.27841%0.409SS..EExtended strand (participates in β ladder)trans-138.6152.3171.664.2-90000110.7M73 V78 S79 F80 F102M73-Y127 HydrophobicContact CE-CD2 4.33Å; M73-Y127 HydrophobicContact CE-CE2 3.73Å; M73-Y127 HydrophobicContact SD-CD2 3.69Å; M73-Y127 HydrophobicContact SD-CE2 3.55Å; M73-Y127 VanDerWaalsContact SD-CE2 3.55Å; V78-Y127 HydrophobicContact CG1-CD2 4.23Å; S79-Y127 CarbonylContact O-C 3.59Å; S79-Y127 WeakPolarHBondContact O-CA 3.43Å; F80-Y127 HydrophobicContact CE1-CG 4.4Å; F102-Y127 HydrophobicContact CE1-CD1 4.38Å; F102-Y127 HydrophobicContact CE1-CE1 4.28Å; F102-Y127 AromaticContact CZ-CD1 4Å; F102-Y127 HydrophobicContact CZ-CD1 4Å; F102-Y127 AromaticContact CZ-CE1 3.75Å; F102-Y127 HydrophobicContact CZ-CE1 3.75Å
128S96.7Very high95.6Very high74 Ų7482.8 Ų82.852%0.51743%0.43SS..EExtended strand (participates in β ladder)trans-146.8148.4178.762.10000111.1S79S79-S128 PolarHBondContact N-O 3.43Å; S79-S128 PolarHBondContact O-N 3.03Å
129F96.5Very high95.4Very high53 Ų5382.7 Ų82.723%0.23243%0.43CS..EExtended strand (participates in β ladder)trans-149.5161.417873.8-73.2000109.7A72 M73 H76 V78 L131A72-F129 HydrophobicContact CB-CE2 4.34Å; A72-F129 HydrophobicContact CB-CZ 4.32Å; M73-F129 HydrophobicContact CB-CD2 4.39Å; M73-F129 HydrophobicContact CB-CE2 4.29Å; M73-F129 HydrophobicContact CB-CZ 4.4Å; M73-F129 HydrophobicContact CG-CD1 3.38Å; M73-F129 HydrophobicContact CG-CD2 3.78Å; M73-F129 HydrophobicContact CG-CE1 3.25Å; M73-F129 HydrophobicContact CG-CE2 3.63Å; M73-F129 HydrophobicContact CG-CG 3.65Å; M73-F129 HydrophobicContact CG-CZ 3.37Å; M73-F129 HydrophobicContact SD-CD1 3.75Å; M73-F129 HydrophobicContact SD-CE1 3.91Å; M73-F129 HydrophobicContact SD-CG 4.33Å; H76-F129 HydrophobicContact CB-CD2 4.29Å; V78-F129 HydrophobicContact CB-CB 4.49Å; V78-F129 HydrophobicContact CG1-CB 4.49Å; V78-F129 HydrophobicContact CG2-CB 3.96Å; F129-L131 HydrophobicContact CE2-CD2 3.51Å; F129-L131 HydrophobicContact CE2-CG 3.83Å; F129-L131 HydrophobicContact CZ-CD2 3.99Å; F129-L131 HydrophobicContact CZ-CG 4.23Å
130K95.1Very high95.3Very high184 Ų18488.4 Ų88.480%0.846%0.459SS*.  trans-101.5131.3174.2-65.2-177.2-180177.70108.6H76H76-K130 PolarHBondContact CD2-O 3.27Å
131L88.6Confident95.2Very high176 Ų17684.4 Ų84.492%0.92146%0.456SS*.  trans-79.70169.2-72.1165.7000111.2A72 F129A72-L131 HydrophobicContact CB-CD2 3.53Å; F129-L131 HydrophobicContact CE2-CD2 3.51Å; F129-L131 HydrophobicContact CE2-CG 3.83Å; F129-L131 HydrophobicContact CZ-CD2 3.99Å; F129-L131 HydrophobicContact CZ-CG 4.23Å

Retrieved 131 of 131 residues in 58.5 ms (Link to these results)