A0AA82N802_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N802, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 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
1M88Confident86.4Confident139 Ų139110.6 Ų110.669%0.68557%0.572SS**  0133.80-167.7173-152.600109Y3 I8 A9 Y11M1-Y3 HydrophobicContact CE-CE1 4.41Å; M1-Y3 HydrophobicContact CG-CE2 4.29Å; M1-Y3 HydrophobicContact SD-CE1 3.91Å; M1-Y3 HydrophobicContact SD-CE2 4.28Å; M1-Y3 PolarHBondContact SD-OH 3.2Å; M1-Y3 VanDerWaalsContact SD-OH 3.38Å; M1-I8 WeakPolarHBondContact O-CA 3.43Å; M1-A9 HydrophobicContact CB-CB 4.43Å; M1-A9 PolarHBondContact N-O 3.04Å; M1-A9 PolarHBondContact O-N 3.48Å; M1-Y11 HydrophobicContact CB-CE2 4.45Å
2I87.7Confident85.9Confident134 Ų134114.2 Ų114.269%0.68758%0.575SS**BIsolated β-bridgetrans-116.1125.1176.8-57.4173000107.6I8I2-I8 HydrophobicContact CG1-CG1 4.4Å; I2-I8 HydrophobicContact CG1-CG2 4.29Å; I2-I8 HydrophobicContact CG2-CG1 4.45Å
3Y88.4Confident85.9Confident84 Ų84120.9 Ų120.933%0.32960%0.603SS.*  trans-95150.4-178.4-65.4-86.5000110.9M1 N5 G6 K7 A9M1-Y3 HydrophobicContact CE-CE1 4.41Å; M1-Y3 HydrophobicContact CG-CE2 4.29Å; M1-Y3 HydrophobicContact SD-CE1 3.91Å; M1-Y3 HydrophobicContact SD-CE2 4.28Å; M1-Y3 PolarHBondContact SD-OH 3.2Å; M1-Y3 VanDerWaalsContact SD-OH 3.38Å; Y3-N5 VanDerWaalsContact CB-OD1 3.25Å; Y3-N5 WeakPolarHBondContact CB-OD1 3.28Å; Y3-N5 PolarHBondContact O-N 2.82Å; Y3-G6 PolarHBondContact O-N 3.49Å; Y3-K7 HydrophobicContact CD2-CB 3.82Å; Y3-K7 WeakPolarHBondContact CD2-O 3.31Å; Y3-K7 HydrophobicContact CG-CB 4.32Å; Y3-K7 PolarHBondContact N-O 3.3Å; Y3-A9 HydrophobicContact CE2-CB 3.81Å
4P83.3Confident85.8Confident143 Ų143124.9 Ų124.993%0.92962%0.619SS**THydrogen-bonded Turntrans-58-22.4178.3-27.135.1000115G6P4-G6 PolarHBondContact O-N 2.78Å
5N85.2Confident85.3Confident111 Ų111123.5 Ų123.559%0.59462%0.62SS**THydrogen-bonded Turntrans-85.311175.767.11.3000113.8Y3 K7Y3-N5 VanDerWaalsContact CB-OD1 3.25Å; Y3-N5 WeakPolarHBondContact CB-OD1 3.28Å; Y3-N5 PolarHBondContact O-N 2.82Å; N5-K7 VanDerWaalsContact C-N 3.29Å; N5-K7 PolarHBondContact O-N 3.33Å; N5-K7 WeakPolarHBondContact OD1-CB 3.19Å; N5-K7 WeakPolarHBondContact OD1-CG 3.31Å; N5-K7 PolarHBondContact OD1-N 3Å; N5-K7 VanDerWaalsContact OD1-N 3.11Å
6G81.6Confident84.9Confident58 Ų58120.9 Ų120.960%0.59862%0.616SS**SBendtrans81.2-0.2179.600000114.7Y3 P4Y3-G6 PolarHBondContact O-N 3.49Å; P4-G6 PolarHBondContact O-N 2.78Å
7K87.9Confident84.4Confident140 Ų140126 Ų12661%0.60963%0.633SS**  trans-68141.6171.2-68.6-176.6180-177.30109.9Y3 N5Y3-K7 HydrophobicContact CD2-CB 3.82Å; Y3-K7 WeakPolarHBondContact CD2-O 3.31Å; Y3-K7 HydrophobicContact CG-CB 4.32Å; Y3-K7 PolarHBondContact N-O 3.3Å; N5-K7 VanDerWaalsContact C-N 3.29Å; N5-K7 PolarHBondContact O-N 3.33Å; N5-K7 WeakPolarHBondContact OD1-CB 3.19Å; N5-K7 WeakPolarHBondContact OD1-CG 3.31Å; N5-K7 PolarHBondContact OD1-N 3Å; N5-K7 VanDerWaalsContact OD1-N 3.11Å
8I88.3Confident84.2Confident95 Ų95124 Ų12449%0.48764%0.64SS.*BIsolated β-bridgetrans-124124.2174.9-52.5176.8000107.6M1 I2 F10M1-I8 WeakPolarHBondContact O-CA 3.43Å; I2-I8 HydrophobicContact CG1-CG1 4.4Å; I2-I8 HydrophobicContact CG1-CG2 4.29Å; I2-I8 HydrophobicContact CG2-CG1 4.45Å; I8-F10 HydrophobicContact CB-CE2 4.26Å; I8-F10 HydrophobicContact CG2-CD2 4.34Å; I8-F10 HydrophobicContact CG2-CE1 4.31Å; I8-F10 HydrophobicContact CG2-CE2 3.57Å; I8-F10 HydrophobicContact CG2-CZ 3.54Å
9A88.4Confident83.6Confident22 Ų22122 Ų12218%0.18263%0.629CS.*  trans-111.3130.6176.200000110.6M1 Y3 Y11M1-A9 HydrophobicContact CB-CB 4.43Å; M1-A9 PolarHBondContact N-O 3.04Å; M1-A9 PolarHBondContact O-N 3.48Å; Y3-A9 HydrophobicContact CE2-CB 3.81Å; A9-Y11 HydrophobicContact CB-CD2 4.49Å; A9-Y11 HydrophobicContact CB-CE2 3.71Å
10F84.6Confident83.2Confident119 Ų119123.6 Ų123.652%0.52263%0.631SS.*  trans-106.9130.7175.1-61.7-86000108.8I8 Y12 L28I8-F10 HydrophobicContact CB-CE2 4.26Å; I8-F10 HydrophobicContact CG2-CD2 4.34Å; I8-F10 HydrophobicContact CG2-CE1 4.31Å; I8-F10 HydrophobicContact CG2-CE2 3.57Å; I8-F10 HydrophobicContact CG2-CZ 3.54Å; F10-Y12 HydrophobicContact CB-CE2 4.26Å; F10-L28 HydrophobicContact CE1-CD1 4.23Å; F10-L28 HydrophobicContact CE2-CD1 3.71Å; F10-L28 HydrophobicContact CZ-CD1 3.34Å
11Y86.7Confident82.5Confident172 Ų172121 Ų12168%0.67564%0.635SS**  trans-119.2131.1176.4-65.2-89.9000107.7M1 A9M1-Y11 HydrophobicContact CB-CE2 4.45Å; A9-Y11 HydrophobicContact CB-CD2 4.49Å; A9-Y11 HydrophobicContact CB-CE2 3.71Å
12Y81Confident82Confident153 Ų153121.2 Ų121.260%0.664%0.639SS**  trans-109.3120.7175.2-59.8-86.4000107F10 V15F10-Y12 HydrophobicContact CB-CE2 4.26Å; Y12-V15 HydrophobicContact CG-CG1 4Å
13E85.6Confident81.4Confident202 Ų202120.8 Ų120.894%0.94463%0.634SS**SBendtrans-69-41.3177.1-173.5168.3-159.100110.6
14E83.9Confident80.9Confident177 Ų177120.6 Ų120.683%0.82764%0.642SS**  trans-132.5139171-63.6-169.416500110.8
15V78.4Confident80.6Confident104 Ų104123.1 Ų123.163%0.6364%0.638SS**  trans-121.1137.3169.9-66.70000108.7Y12 K17Y12-V15 HydrophobicContact CG-CG1 4Å; V15-K17 PolarHBondContact O-N 3.27Å
16S79.1Confident80.3Confident81 Ų81122.5 Ų122.557%0.56664%0.642SS**  trans-59.8122.1-177.7-179.80000111.1A18S16-A18 PolarHBondContact O-N 3.22Å; S16-A18 WeakPolarHBondContact OG-CB 3.34Å; S16-A18 PolarHBondContact OG-N 3.35Å
17K76.9Confident80.3Confident208 Ų208124.5 Ų124.590%0.90465%0.647SS**THydrogen-bonded Turntrans-73.5-10.3176.2-61.9-179.1-176.9175.10113.1V15 I19V15-K17 PolarHBondContact O-N 3.27Å; K17-I19 PolarHBondContact O-N 3.34Å
18A80.3Confident79.9Confident90 Ų90123.8 Ų123.874%0.74465%0.649SS**THydrogen-bonded Turntrans-66.5-23.8-179.500000112.3S16S16-A18 PolarHBondContact O-N 3.22Å; S16-A18 WeakPolarHBondContact OG-CB 3.34Å; S16-A18 PolarHBondContact OG-N 3.35Å
19I73.9Confident79.8Confident86 Ų86127 Ų12744%0.44167%0.666SS.*SBendtrans-95.2122.9-178.7-52.2177.7000108.3K17 Q23 V24K17-I19 PolarHBondContact O-N 3.34Å; I19-Q23 HydrophobicContact CG2-CB 3.74Å; I19-V24 HydrophobicContact CB-CG2 4.06Å; I19-V24 HydrophobicContact CG2-CG2 3.63Å
20K74.9Confident79.5Confident154 Ų154128.9 Ų128.967%0.6769%0.688SS**  trans-61.3141.6174.2-66.7-174.2-179.4-178.80109.2N22 Q23 V24K20-N22 WeakPolarHBondContact CB-OD1 3.44Å; K20-N22 PolarHBondContact O-N 3.1Å; K20-Q23 WeakPolarHBondContact O-CA 3.46Å; K20-Q23 WeakPolarHBondContact O-CB 3.25Å; K20-Q23 PolarHBondContact O-N 2.99Å; K20-V24 PolarHBondContact O-N 2.72Å
21G69.2Low79.4Confident69 Ų69134 Ų13471%0.71170%0.703SS**G310 helixtrans-53.2-32.1-17300000115Q23G21-Q23 VanDerWaalsContact C-N 3.3Å; G21-Q23 PolarHBondContact O-N 3.4Å
22N76.7Confident78.7Confident144 Ų144133.6 Ų133.677%0.7771%0.711SS**G310 helixtrans-76.7-11.117767.3-25.1000114.8K20K20-N22 WeakPolarHBondContact CB-OD1 3.44Å; K20-N22 PolarHBondContact O-N 3.1Å
23Q76.1Confident77.8Confident124 Ų124131 Ų13158%0.57971%0.711SS**G310 helixtrans-98.8-13.3177.1-66.6-175.4-34.800112.8I19 K20 G21 K25I19-Q23 HydrophobicContact CG2-CB 3.74Å; K20-Q23 WeakPolarHBondContact O-CA 3.46Å; K20-Q23 WeakPolarHBondContact O-CB 3.25Å; K20-Q23 PolarHBondContact O-N 2.99Å; G21-Q23 VanDerWaalsContact C-N 3.3Å; G21-Q23 PolarHBondContact O-N 3.4Å; Q23-K25 PolarHBondContact O-N 2.93Å; Q23-K25 VanDerWaalsContact O-N 3.16Å
24V77.1Confident76.4Confident81 Ų81126.3 Ų126.349%0.49170%0.7SS.*  trans-69114.2178.8-1780000109I19 K20I19-V24 HydrophobicContact CB-CG2 4.06Å; I19-V24 HydrophobicContact CG2-CG2 3.63Å; K20-V24 PolarHBondContact O-N 2.72Å
25K77.7Confident75.1Confident195 Ų195120.1 Ų120.185%0.84868%0.684SS**  trans-110.4124170.4-65.8-174.5-179.1-178.30108.4Q23Q23-K25 PolarHBondContact O-N 2.93Å; Q23-K25 VanDerWaalsContact O-N 3.16Å
26S78.5Confident73.8Confident99 Ų99121.3 Ų121.369%0.69269%0.685SS**  trans-90.1131.6169.4-62.60000108.6
27S80.9Confident72.7Confident100 Ų100123 Ų12370%0.69969%0.688SS**  trans-133.6142.5173.9-175.80000109
28L80.5Confident71.8Confident124 Ų124121.5 Ų121.565%0.64968%0.684SS**  trans-111.9113.5172-168.8146.9000107.6F10F10-L28 HydrophobicContact CE1-CD1 4.23Å; F10-L28 HydrophobicContact CE2-CD1 3.71Å; F10-L28 HydrophobicContact CZ-CD1 3.34Å
29I85.8Confident70.7Confident163 Ų163117.6 Ų117.684%0.83665%0.652SS**  trans-102.5114.7176-56.7174.3000106.9
30G82.1Confident70.3Confident62 Ų62116.5 Ų116.564%0.63965%0.648SS**  trans-126.8149.5176.800000110.7
31R81.7Confident70.2Confident226 Ų226115.7 Ų115.785%0.85365%0.646SS**  trans-111.2114.5165.9-175.5-179.4-175.2-176.80.1107.5T33R31-T33 HydrophobicContact CG-CG2 4.27Å
32I72.6Confident70.9Confident163 Ų163115.1 Ų115.184%0.83663%0.625SS**  trans-98.2115.7171.3-56.4172.5000106.1
33T62.7Low71.4Confident99 Ų99108.2 Ų108.261%0.60759%0.588SS**  trans-96.5117.1170.648.30000107.9R31 G35R31-T33 HydrophobicContact CG-CG2 4.27Å; T33-G35 PolarHBondContact O-N 3.35Å
34C56.5Low71.8Confident104 Ų104105.9 Ų105.970%0.70358%0.584SS**  trans-67.6119.6161.5-59.60000106.5I36C34-I36 VanDerWaalsContact C-N 3.26Å; C34-I36 PolarHBondContact O-N 3.45Å
35G55.2Low72.3Confident47 Ų47109.2 Ų109.249%0.48559%0.591SS.*  trans-63.695.1164.300000107.1T33 N37 N40T33-G35 PolarHBondContact O-N 3.35Å; G35-N37 PolarHBondContact O-N 2.71Å; G35-N40 PolarHBondContact O-ND2 3.14Å
36I50.5Low72.8Confident128 Ų128102.5 Ų102.566%0.65656%0.563SS**  trans-77.976.4171.5-35.3174.7000105.4C34C34-I36 VanDerWaalsContact C-N 3.26Å; C34-I36 PolarHBondContact O-N 3.45Å
37N56.5Low73.3Confident117 Ų117104.2 Ų104.263%0.62656%0.564SS**  trans-62.8144.6157.8-63.5-25.5000105.9G35 G39 N40G35-N37 PolarHBondContact O-N 2.71Å; N37-G39 PolarHBondContact O-N 3.17Å; N37-N40 WeakPolarHBondContact O-CB 3.41Å; N37-N40 PolarHBondContact O-N 2.82Å
38E57.7Low73.8Confident176 Ų176102.1 Ų102.182%0.82255%0.55SS*.THydrogen-bonded Turntrans-52.2-30.9-178-67.6-179.116300112.1N40 Q41 H42E38-N40 VanDerWaalsContact C-N 3.29Å; E38-N40 PolarHBondContact O-N 2.01Å; E38-Q41 PolarHBondContact O-N 2.98Å; E38-H42 PolarHBondContact O-N 3.44Å
39G58.7Low74.2Confident8 Ų8100.1 Ų100.18%0.08254%0.539CS..Hα-helixtrans-58.5-30.717200000115.6N37 Q41 H42 C43N37-G39 PolarHBondContact O-N 3.17Å; G39-Q41 VanDerWaalsContact C-N 3.27Å; G39-Q41 PolarHBondContact O-N 2.74Å; G39-H42 PolarHBondContact O-N 3.49Å; G39-C43 PolarHBondContact O-N 3.46Å
40N64.3Low74.6Confident64 Ų6497.4 Ų97.434%0.34253%0.526SS..Hα-helixtrans-71.4-18.1179.4-85.8-11.5000113.5G35 N37 E38 P44G35-N40 PolarHBondContact O-ND2 3.14Å; N37-N40 WeakPolarHBondContact O-CB 3.41Å; N37-N40 PolarHBondContact O-N 2.82Å; E38-N40 VanDerWaalsContact C-N 3.29Å; E38-N40 PolarHBondContact O-N 2.01Å; N40-P44 WeakPolarHBondContact O-CD 2.95Å; N40-P44 WeakPolarHBondContact O-CG 3.48Å
41Q73.3Confident75Confident136 Ų13696.7 Ų96.764%0.63651%0.51SS*.Hα-helixtrans-94.3-18.1171.8-160.2174.217.300112.3E38 G39 K45E38-Q41 PolarHBondContact O-N 2.98Å; G39-Q41 VanDerWaalsContact C-N 3.27Å; G39-Q41 PolarHBondContact O-N 2.74Å; Q41-K45 WeakPolarHBondContact O-CE 3.48Å
42H83.7Confident75.4Confident57 Ų5786 Ų8626%0.26447%0.47SS..Hα-helixtrans-74.5-57-178-174.965.5000111.9E38 G39 A55 I60E38-H42 PolarHBondContact O-N 3.44Å; G39-H42 PolarHBondContact O-N 3.49Å; H42-A55 PolarHBondContact CD2-O 3.25Å; H42-A55 PolarHBondContact NE2-O 2.98Å; H42-I60 HydrophobicContact CB-CD1 4.17Å
43C86.9Confident76.1Confident0 Ų083.6 Ų83.60%046%0.455CS..G310 helixtrans-66.1-44.4-174.4-53.20000114.2G39 K45 H46 C62 C71 A73G39-C43 PolarHBondContact O-N 3.46Å; C43-K45 PolarHBondContact O-N 3.18Å; C43-H46 PolarHBondContact O-CD2 3.22Å; C43-H46 PolarHBondContact O-N 3.03Å; C43-C62 VanDerWaalsContact CA-SG 3.57Å; C43-C62 HydrophobicContact CB-CB 3.82Å; C43-C62 WeakPolarHBondContact CB-SG 3.28Å; C43-C62 WeakPolarHBondContact SG-CA 3.07Å; C43-C62 WeakPolarHBondContact SG-CB 3.11Å; C43-C62 CovalentContact SG-SG 2.04Å; C43-C62 PolarHBondContact SG-SG 3.43Å; C43-C71 VanDerWaalsContact O-CB 3.23Å; C43-C71 WeakPolarHBondContact O-CB 3.42Å; C43-C71 PolarHBondContact O-SG 2.02Å; C43-A73 VanDerWaalsContact SG-CA 3.52Å; C43-A73 PolarHBondContact SG-N 3.48Å
44P85.9Confident77.4Confident75 Ų7586.3 Ų86.349%0.48746%0.461SS..G310 helixtrans-65.9-6.8-172.9-25.537.9000115.9N40 H46 C71N40-P44 WeakPolarHBondContact O-CD 2.95Å; N40-P44 WeakPolarHBondContact O-CG 3.48Å; P44-H46 PolarHBondContact O-N 3.23Å; P44-C71 VanDerWaalsContact CA-O 3.28Å; P44-C71 WeakPolarHBondContact CA-O 3.12Å
45K86.5Confident78.9Confident151 Ų15181.9 Ų81.966%0.65743%0.432SS*.G310 helixtrans-70.2-19.5173.1-64.6176.2-177.41700112.6Q41 C43Q41-K45 WeakPolarHBondContact O-CE 3.48Å; C43-K45 PolarHBondContact O-N 3.18Å
46H89Confident80.5Confident53 Ų5382.5 Ų82.525%0.24543%0.426CS..  trans-94120.6-177.3-58.4-77.8000110.5C43 P44 P51 C52 A55 C71C43-H46 PolarHBondContact O-CD2 3.22Å; C43-H46 PolarHBondContact O-N 3.03Å; P44-H46 PolarHBondContact O-N 3.23Å; H46-P51 HydrophobicContact CB-CB 4.24Å; H46-P51 PolarHBondContact ND1-O 3.05Å; H46-C52 HydrophobicContact CB-CB 4.06Å; H46-A55 VanDerWaalsContact CD2-CB 3.44Å; H46-A55 WeakPolarHBondContact CD2-CB 3.09Å; H46-A55 WeakPolarHBondContact NE2-CB 3.23Å; H46-C71 HydrophobicContact CB-CB 4.19Å; H46-C71 VanDerWaalsContact O-CB 3.28Å; H46-C71 WeakPolarHBondContact O-CB 3.04Å
47N89.3Confident82.1Confident136 Ų13679.4 Ų79.473%0.72741%0.413SS*.  trans-102.920.6-176.765-7000112.9
48S90.2Very high83.3Confident56 Ų5679.4 Ų79.439%0.39242%0.422SS..SBendtrans-153.1154.7-179.2-720000110.7P51 C52S48-P51 WeakPolarHBondContact O-CD 3.45Å; S48-C52 WeakPolarHBondContact O-CB 3.12Å; S48-C52 PolarHBondContact O-N 3.29Å
49I90.1Very high84.3Confident81 Ų8177.2 Ų77.242%0.41542%0.416SS..Hα-helixtrans-58-56-173.9-58.3169.6000111.6C52 Q53 W64I49-C52 WeakPolarHBondContact O-CB 3.09Å; I49-C52 PolarHBondContact O-N 2.78Å; I49-Q53 WeakPolarHBondContact O-CG 3.21Å; I49-Q53 PolarHBondContact O-N 3.18Å; I49-W64 HydrophobicContact CB-CG 4.3Å; I49-W64 HydrophobicContact CG1-CB 4.5Å; I49-W64 HydrophobicContact CG1-CD2 3.89Å; I49-W64 HydrophobicContact CG1-CG 3.72Å; I49-W64 HydrophobicContact CG2-CB 4.38Å; I49-W64 HydrophobicContact CG2-CG 4.46Å
50N92.4Very high85.4Confident106 Ų10678.5 Ų78.557%0.56742%0.421SS*.Hα-helixtrans-64.3-49.8-174-57.64.2000111.9C52 Q53 E54N50-C52 PolarHBondContact O-N 2.04Å; N50-Q53 PolarHBondContact O-N 3.34Å; N50-E54 WeakPolarHBondContact O-CB 3.36Å; N50-E54 WeakPolarHBondContact O-CG 3.45Å; N50-E54 PolarHBondContact O-N 3.35Å
51P91.9Very high86.5Confident48 Ų4879.6 Ų79.631%0.31242%0.423SS..Hα-helixtrans-59.1-33.9175.4-25.335.4000113.5H46 S48 A55H46-P51 HydrophobicContact CB-CB 4.24Å; H46-P51 PolarHBondContact ND1-O 3.05Å; S48-P51 WeakPolarHBondContact O-CD 3.45Å; P51-A55 WeakPolarHBondContact O-CB 3.21Å; P51-A55 PolarHBondContact O-N 3.05Å; P51-A55 VanDerWaalsContact O-N 3.1Å
52C90.5Very high87.1Confident0 Ų073.3 Ų73.30%039%0.394CS..Hα-helixtrans-64.8-46.6176.8175.80000112.1H46 S48 I49 N50 A55 C62 I63 W64 C71H46-C52 HydrophobicContact CB-CB 4.06Å; S48-C52 WeakPolarHBondContact O-CB 3.12Å; S48-C52 PolarHBondContact O-N 3.29Å; I49-C52 WeakPolarHBondContact O-CB 3.09Å; I49-C52 PolarHBondContact O-N 2.78Å; N50-C52 PolarHBondContact O-N 2.04Å; C52-A55 WeakPolarHBondContact O-CB 2.98Å; C52-A55 PolarHBondContact O-N 2.92Å; C52-C62 WeakPolarHBondContact O-CB 3.28Å; C52-I63 PolarHBondContact SG-O 3.35Å; C52-W64 HydrophobicContact CB-CE3 3.84Å; C52-C71 WeakPolarHBondContact CA-SG 3.46Å; C52-C71 HydrophobicContact CB-CB 3.59Å; C52-C71 WeakPolarHBondContact CB-SG 3.25Å; C52-C71 VanDerWaalsContact SG-CA 3.56Å; C52-C71 WeakPolarHBondContact SG-CB 3.41Å; C52-C71 CovalentContact SG-SG 2.01Å; C52-C71 PolarHBondContact SG-SG 2.95Å
53Q86.5Confident87.3Confident114 Ų11471.4 Ų71.453%0.53339%0.385SS..Hα-helixtrans-68.3-40.5-179.3-69.4-179.7-48.700111.5I49 N50 A55 T56I49-Q53 WeakPolarHBondContact O-CG 3.21Å; I49-Q53 PolarHBondContact O-N 3.18Å; N50-Q53 PolarHBondContact O-N 3.34Å; Q53-A55 PolarHBondContact O-N 3.4Å; Q53-T56 VanDerWaalsContact O-CB 3.31Å; Q53-T56 WeakPolarHBondContact O-CB 3.27Å; Q53-T56 PolarHBondContact O-N 3.49Å; Q53-T56 PolarHBondContact O-OG1 3.18Å
54E90.2Very high87.4Confident155 Ų15573.4 Ų73.472%0.72439%0.393SS*.Hα-helixtrans-67.2-21.4176.7-70.6172.3-172.100113.4N50 T56N50-E54 WeakPolarHBondContact O-CB 3.36Å; N50-E54 WeakPolarHBondContact O-CG 3.45Å; N50-E54 PolarHBondContact O-N 3.35Å; E54-T56 PolarHBondContact O-N 3.21Å
55A88Confident87.4Confident11 Ų1169.9 Ų69.99%0.09137%0.37CS..THydrogen-bonded Turntrans-70.1-11.117500000113.4H42 H46 P51 C52 Q53 T57 C62H42-A55 PolarHBondContact CD2-O 3.25Å; H42-A55 PolarHBondContact NE2-O 2.98Å; H46-A55 VanDerWaalsContact CD2-CB 3.44Å; H46-A55 WeakPolarHBondContact CD2-CB 3.09Å; H46-A55 WeakPolarHBondContact NE2-CB 3.23Å; P51-A55 WeakPolarHBondContact O-CB 3.21Å; P51-A55 PolarHBondContact O-N 3.05Å; P51-A55 VanDerWaalsContact O-N 3.1Å; C52-A55 WeakPolarHBondContact O-CB 2.98Å; C52-A55 PolarHBondContact O-N 2.92Å; Q53-A55 PolarHBondContact O-N 3.4Å; A55-T57 PolarHBondContact O-N 3.22Å; A55-C62 HydrophobicContact CB-CB 4.48Å
56T87.5Confident87.3Confident60 Ų6070.8 Ų70.837%0.36837%0.374SS..  trans-60.8126.1178.6-63.30000111.4Q53 E54 I60 K61 C62Q53-T56 VanDerWaalsContact O-CB 3.31Å; Q53-T56 WeakPolarHBondContact O-CB 3.27Å; Q53-T56 PolarHBondContact O-N 3.49Å; Q53-T56 PolarHBondContact O-OG1 3.18Å; E54-T56 PolarHBondContact O-N 3.21Å; T56-I60 CarbonylContact C-O 3.51Å; T56-I60 VanDerWaalsContact CA-O 3.31Å; T56-I60 WeakPolarHBondContact CA-O 3.33Å; T56-K61 HydrophobicContact CG2-CB 4.2Å; T56-K61 HydrophobicContact CG2-CG 4.36Å; T56-C62 PolarHBondContact OG1-N 3.42Å; T56-C62 PolarHBondContact OG1-O 3.24Å
57T85.1Confident87.1Confident64 Ų6475 Ų7539%0.39339%0.391SS..  trans-109.8-179.7173.966.80000110.5A55 D59 I60A55-T57 PolarHBondContact O-N 3.22Å; T57-D59 PolarHBondContact O-N 2.81Å; T57-D59 PolarHBondContact OG1-N 2.91Å; T57-I60 PolarHBondContact N-O 2.78Å; T57-I60 PolarHBondContact OG1-N 2.98Å
58S80.7Confident86.8Confident116 Ų11674.2 Ų74.281%0.81138%0.379SS*.SBendtrans-60.6-29174.849.70000113.4
59D80Confident86.7Confident131 Ų13176.9 Ų76.970%0.70139%0.389SS*.SBendtrans-105.6-16-173.3-49.7-36.1000112.5T57T57-D59 PolarHBondContact O-N 2.81Å; T57-D59 PolarHBondContact OG1-N 2.91Å
60I82.3Confident86.7Confident34 Ų3476.9 Ų76.917%0.17439%0.389CS..  trans-135.7113.6-174.4-57.5158.3000108.9H42 T56 T57 A73H42-I60 HydrophobicContact CB-CD1 4.17Å; T56-I60 CarbonylContact C-O 3.51Å; T56-I60 VanDerWaalsContact CA-O 3.31Å; T56-I60 WeakPolarHBondContact CA-O 3.33Å; T57-I60 PolarHBondContact N-O 2.78Å; T57-I60 PolarHBondContact OG1-N 2.98Å; I60-A73 HydrophobicContact CG2-CB 4.35Å
61K86.1Confident86.5Confident87 Ų8772 Ų7238%0.37836%0.363SS..  trans-95.2119.4172175.9-179.8-179.8-169.50110T56 A73 S74T56-K61 HydrophobicContact CG2-CB 4.2Å; T56-K61 HydrophobicContact CG2-CG 4.36Å; K61-A73 CarbonylContact O-C 3.53Å; K61-A73 WeakPolarHBondContact O-CA 3.37Å; K61-S74 WeakPolarHBondContact CB-OG 3.44Å; K61-S74 WeakPolarHBondContact CD-OG 3.38Å; K61-S74 VanDerWaalsContact CG-OG 3.28Å; K61-S74 WeakPolarHBondContact CG-OG 3.36Å; K61-S74 PolarHBondContact O-N 3.34Å; K61-S74 PolarHBondContact O-OG 2.9Å
62C86.6Confident86.1Confident5 Ų570.8 Ų70.83%0.03436%0.355CS..EExtended strand (participates in β ladder)trans-98136.8179.4-65.80000110.5C43 C52 A55 T56C43-C62 VanDerWaalsContact CA-SG 3.57Å; C43-C62 HydrophobicContact CB-CB 3.82Å; C43-C62 WeakPolarHBondContact CB-SG 3.28Å; C43-C62 WeakPolarHBondContact SG-CA 3.07Å; C43-C62 WeakPolarHBondContact SG-CB 3.11Å; C43-C62 CovalentContact SG-SG 2.04Å; C43-C62 PolarHBondContact SG-SG 3.43Å; C52-C62 WeakPolarHBondContact O-CB 3.28Å; A55-C62 HydrophobicContact CB-CB 4.48Å; T56-C62 PolarHBondContact OG1-N 3.42Å; T56-C62 PolarHBondContact OG1-O 3.24Å
63I87.5Confident85.7Confident16 Ų1671.3 Ų71.38%0.08236%0.36CS..EExtended strand (participates in β ladder)trans-126.5139.8179.562.4167.8000110.5C52 T72 C87 V89C52-I63 PolarHBondContact SG-O 3.35Å; I63-T72 HydrophobicContact CD1-CG2 4.15Å; I63-T72 HydrophobicContact CG1-CG2 3.72Å; I63-T72 WeakPolarHBondContact CG1-O 3.26Å; I63-T72 PolarHBondContact N-O 3.37Å; I63-T72 PolarHBondContact O-N 3.1Å; I63-C87 HydrophobicContact CD1-CB 4.39Å; I63-V89 HydrophobicContact CD1-CG2 3.95Å; I63-V89 HydrophobicContact CG2-CG2 3.96Å
64W89.2Confident85.2Confident42 Ų4266.3 Ų66.316%0.15934%0.337CS..EExtended strand (participates in β ladder)trans-87.4124.7174.4-175.8-97.4000110.7I49 C52 D69 C71I49-W64 HydrophobicContact CB-CG 4.3Å; I49-W64 HydrophobicContact CG1-CB 4.5Å; I49-W64 HydrophobicContact CG1-CD2 3.89Å; I49-W64 HydrophobicContact CG1-CG 3.72Å; I49-W64 HydrophobicContact CG2-CB 4.38Å; I49-W64 HydrophobicContact CG2-CG 4.46Å; C52-W64 HydrophobicContact CB-CE3 3.84Å; W64-D69 WeakPolarHBondContact CH2-O 3.26Å; W64-D69 HydrophobicContact CZ2-CB 4.03Å; W64-C71 HydrophobicContact CE3-CB 3.97Å; W64-C71 HydrophobicContact CZ3-CB 4.12Å
65C84.9Confident83.8Confident1 Ų160.9 Ų60.91%0.00732%0.316CS..EExtended strand (participates in β ladder)trans-98.791.8176-167.30000111.2K67 Y68 D69 I70 C87C65-K67 PolarHBondContact O-N 3.21Å; C65-K67 VanDerWaalsContact O-N 3.1Å; C65-Y68 PolarHBondContact O-N 3.28Å; C65-D69 PolarHBondContact O-N 3.42Å; C65-I70 HydrophobicContact CB-CG1 3.9Å; C65-I70 PolarHBondContact N-O 2.88Å; C65-I70 PolarHBondContact O-N 3.4Å; C65-C87 HydrophobicContact CB-CB 3.61Å; C65-C87 WeakPolarHBondContact CB-SG 3.42Å; C65-C87 VanDerWaalsContact SG-CA 3.54Å; C65-C87 WeakPolarHBondContact SG-CB 3.5Å; C65-C87 CovalentContact SG-SG 2.02Å; C65-C87 PolarHBondContact SG-SG 3.34Å
66K85.5Confident82.2Confident170 Ų17066.8 Ų66.874%0.73935%0.346SS*.THydrogen-bonded Turntrans-56.2-29.9-178.9-170.1178.2-175.2178.80114Y68K66-Y68 VanDerWaalsContact C-N 3.25Å; K66-Y68 PolarHBondContact O-N 2.97Å
67K83.7Confident80.4Confident141 Ų14170.4 Ų70.461%0.61336%0.359SS*.THydrogen-bonded Turntrans-64.6-31.2179.8-175.6175.7178.9-175.90112.9C65C65-K67 PolarHBondContact O-N 3.21Å; C65-K67 VanDerWaalsContact O-N 3.1Å
68Y84.5Confident78.6Confident120 Ų12072.1 Ų72.147%0.47137%0.366SS..THydrogen-bonded Turntrans-119.5-0.6-174.9-62-57.8000113C65 K66 I70 N85C65-Y68 PolarHBondContact O-N 3.28Å; K66-Y68 VanDerWaalsContact C-N 3.25Å; K66-Y68 PolarHBondContact O-N 2.97Å; Y68-I70 VanDerWaalsContact C-N 3.26Å; Y68-I70 WeakPolarHBondContact O-CG2 2.91Å; Y68-I70 PolarHBondContact O-N 3.39Å; Y68-N85 WeakPolarHBondContact CE2-O 3.45Å
69D88.5Confident77Confident113 Ų11373 Ų7360%0.60436%0.361SS*.THydrogen-bonded Turntrans50.744.4-174.8-64.8-46.7000113.3W64 C65W64-D69 WeakPolarHBondContact CH2-O 3.26Å; W64-D69 HydrophobicContact CZ2-CB 4.03Å; C65-D69 PolarHBondContact O-N 3.42Å
70I89Confident75.3Confident80 Ų8073.9 Ų73.941%0.4136%0.361SS..EExtended strand (participates in β ladder)trans-125.6150.5178.463.6-179.8000111.7C65 Y68C65-I70 HydrophobicContact CB-CG1 3.9Å; C65-I70 PolarHBondContact N-O 2.88Å; C65-I70 PolarHBondContact O-N 3.4Å; Y68-I70 VanDerWaalsContact C-N 3.26Å; Y68-I70 WeakPolarHBondContact O-CG2 2.91Å; Y68-I70 PolarHBondContact O-N 3.39Å
71C87.4Confident73.5Confident3 Ų378.9 Ų78.92%0.0238%0.384CS..EExtended strand (participates in β ladder)trans-96128.7166.4-171.80000109.9C43 P44 H46 C52 W64C43-C71 VanDerWaalsContact O-CB 3.23Å; C43-C71 WeakPolarHBondContact O-CB 3.42Å; C43-C71 PolarHBondContact O-SG 2.02Å; P44-C71 VanDerWaalsContact CA-O 3.28Å; P44-C71 WeakPolarHBondContact CA-O 3.12Å; H46-C71 HydrophobicContact CB-CB 4.19Å; H46-C71 VanDerWaalsContact O-CB 3.28Å; H46-C71 WeakPolarHBondContact O-CB 3.04Å; C52-C71 WeakPolarHBondContact CA-SG 3.46Å; C52-C71 HydrophobicContact CB-CB 3.59Å; C52-C71 WeakPolarHBondContact CB-SG 3.25Å; C52-C71 VanDerWaalsContact SG-CA 3.56Å; C52-C71 WeakPolarHBondContact SG-CB 3.41Å; C52-C71 CovalentContact SG-SG 2.01Å; C52-C71 PolarHBondContact SG-SG 2.95Å; W64-C71 HydrophobicContact CE3-CB 3.97Å; W64-C71 HydrophobicContact CZ3-CB 4.12Å
72T85.4Confident71.7Confident24 Ų2476.2 Ų76.215%0.14737%0.373CS..EExtended strand (participates in β ladder)trans-133.1153.8179.1-175.50000110.6I63I63-T72 HydrophobicContact CD1-CG2 4.15Å; I63-T72 HydrophobicContact CG1-CG2 3.72Å; I63-T72 WeakPolarHBondContact CG1-O 3.26Å; I63-T72 PolarHBondContact N-O 3.37Å; I63-T72 PolarHBondContact O-N 3.1Å
73A81.9Confident69.8Low11 Ų1184.6 Ų84.69%0.09141%0.409CS..EExtended strand (participates in β ladder)trans-66.3140.416800000109.4C43 I60 K61C43-A73 VanDerWaalsContact SG-CA 3.52Å; C43-A73 PolarHBondContact SG-N 3.48Å; I60-A73 HydrophobicContact CG2-CB 4.35Å; K61-A73 CarbonylContact O-C 3.53Å; K61-A73 WeakPolarHBondContact O-CA 3.37Å
74S74.8Confident67.9Low8 Ų889.4 Ų89.46%0.05644%0.439CS..PPolyproline II helixtrans-76.6122159.364.70000107.8K61 D76 L82K61-S74 WeakPolarHBondContact CB-OG 3.44Å; K61-S74 WeakPolarHBondContact CD-OG 3.38Å; K61-S74 VanDerWaalsContact CG-OG 3.28Å; K61-S74 WeakPolarHBondContact CG-OG 3.36Å; K61-S74 PolarHBondContact O-N 3.34Å; K61-S74 PolarHBondContact O-OG 2.9Å; S74-D76 PolarHBondContact O-N 3.06Å; S74-L82 VanDerWaalsContact CA-CD1 3.45Å
75S62Low66.1Low41 Ų4191.1 Ų91.129%0.28745%0.451SS..PPolyproline II helixtrans-67.9125.2163.355.90000107.2E77 D78 L82S75-E77 CarbonylContact O-C 3.24Å; S75-E77 VanDerWaalsContact O-C 3.24Å; S75-E77 PolarHBondContact O-N 3.42Å; S75-D78 PolarHBondContact O-N 2.82Å; S75-D78 VanDerWaalsContact O-N 3.14Å; S75-L82 VanDerWaalsContact OG-CD1 3.27Å; S75-L82 WeakPolarHBondContact OG-CD1 3.44Å; S75-L82 WeakPolarHBondContact OG-CG 3.34Å
76D53Low65Low136 Ų13692.9 Ų92.973%0.72747%0.469SS*.SBendtrans-56.3-16.6175.2-66.3-47.3000113.1S74 D78S74-D76 PolarHBondContact O-N 3.06Å; D76-D78 PolarHBondContact O-N 3.05Å
77E51Low64Low136 Ų13685.3 Ų85.364%0.63644%0.438SS*.  trans-68.356.9157.2-69.6-168.8169.900111.3S75 N79 H80S75-E77 CarbonylContact O-C 3.24Å; S75-E77 VanDerWaalsContact O-C 3.24Å; S75-E77 PolarHBondContact O-N 3.42Å; E77-N79 PolarHBondContact O-N 3.4Å; E77-H80 PolarHBondContact O-N 2.92Å
78D46.7Very low62.8Low100 Ų10086.2 Ų86.254%0.53545%0.445SS..THydrogen-bonded Turntrans-54.29.2167.4-103.2-24.8000112.6S75 D76S75-D78 PolarHBondContact O-N 2.82Å; S75-D78 VanDerWaalsContact O-N 3.14Å; D76-D78 PolarHBondContact O-N 3.05Å
79N46.3Very low61.5Low133 Ų13383.4 Ų83.471%0.71144%0.439SS*.THydrogen-bonded Turntrans-112.7-18.1-176-145.510.6000116.6E77E77-N79 PolarHBondContact O-N 3.4Å
80H45.6Very low59.8Low150 Ų15086.9 Ų86.969%0.69445%0.452SS*.THydrogen-bonded Turntrans-140.1-43.8179-92.6-57.2000118.8E77E77-H80 PolarHBondContact O-N 2.92Å
81E43.6Very low58Low140 Ų14089.6 Ų89.665%0.65447%0.472SS*.THydrogen-bonded Turntrans-90.7-35.4-167.7-65.7-160.8153.400114.8K83 V84E81-K83 PolarHBondContact O-N 3.38Å; E81-V84 VanDerWaalsContact O-CB 3.26Å; E81-V84 WeakPolarHBondContact O-CB 3.37Å; E81-V84 VanDerWaalsContact O-CG2 3.26Å; E81-V84 WeakPolarHBondContact O-CG2 3.5Å; E81-V84 PolarHBondContact O-N 3.11Å
82L48.1Very low55.7Low31 Ų31102.5 Ų102.516%0.16253%0.528CS..G310 helixtrans-73.8-12-178.1-75.2179.2000115.1S74 S75 V84 N85S74-L82 VanDerWaalsContact CA-CD1 3.45Å; S75-L82 VanDerWaalsContact OG-CD1 3.27Å; S75-L82 WeakPolarHBondContact OG-CD1 3.44Å; S75-L82 WeakPolarHBondContact OG-CG 3.34Å; L82-V84 PolarHBondContact O-N 2.78Å; L82-N85 PolarHBondContact O-N 2.86Å
83K46.9Very low54.3Low180 Ų180106.4 Ų106.478%0.78355%0.547SS*.G310 helixtrans-60.6-23.1165.1-107178.8-179172.40112.3E81E81-K83 PolarHBondContact O-N 3.38Å
84V47.4Very low52.8Low117 Ų117111.4 Ų111.471%0.70957%0.571SS**G310 helixtrans-71.9-31.3-176.4-177.90000111.8E81 L82 G86E81-V84 VanDerWaalsContact O-CB 3.26Å; E81-V84 WeakPolarHBondContact O-CB 3.37Å; E81-V84 VanDerWaalsContact O-CG2 3.26Å; E81-V84 WeakPolarHBondContact O-CG2 3.5Å; E81-V84 PolarHBondContact O-N 3.11Å; L82-V84 PolarHBondContact O-N 2.78Å; V84-G86 PolarHBondContact O-N 3.17Å
85N53Low51.6Low78 Ų78117.2 Ų117.242%0.41760%0.6SS.*G310 helixtrans-88.63.2-174.1-71.6-0.4000113.8Y68 L82 C87Y68-N85 WeakPolarHBondContact CE2-O 3.45Å; L82-N85 PolarHBondContact O-N 2.86Å; N85-C87 PolarHBondContact O-N 3.38Å; N85-C87 PolarHBondContact O-SG 3.47Å; N85-C87 VanDerWaalsContact O-SG 3.39Å
86G60Low51Low38 Ų38121.6 Ų121.639%0.39262%0.618SS.*THydrogen-bonded Turntrans61.911.6179.100000114.5V84 Q88V84-G86 PolarHBondContact O-N 3.17Å; G86-Q88 VanDerWaalsContact C-N 3.33Å; G86-Q88 PolarHBondContact O-N 3.16Å
87C66.5Low50.8Low12 Ų12120.8 Ų120.88%0.08161%0.611CS.*  trans-8778.3170-46.30000106.5I63 C65 N85 V89I63-C87 HydrophobicContact CD1-CB 4.39Å; C65-C87 HydrophobicContact CB-CB 3.61Å; C65-C87 WeakPolarHBondContact CB-SG 3.42Å; C65-C87 VanDerWaalsContact SG-CA 3.54Å; C65-C87 WeakPolarHBondContact SG-CB 3.5Å; C65-C87 CovalentContact SG-SG 2.02Å; C65-C87 PolarHBondContact SG-SG 3.34Å; N85-C87 PolarHBondContact O-N 3.38Å; N85-C87 PolarHBondContact O-SG 3.47Å; N85-C87 VanDerWaalsContact O-SG 3.39Å; C87-V89 PolarHBondContact O-N 3.31Å
88Q57.4Low50.8Low160 Ų160119.7 Ų119.775%0.74861%0.609SS**  trans-72.6126.2173.7-66.6-164.5-1.800108.4G86 E90G86-Q88 VanDerWaalsContact C-N 3.33Å; G86-Q88 PolarHBondContact O-N 3.16Å; Q88-E90 PolarHBondContact O-N 3.44Å
89V57.5Low51.1Low60 Ų60121.1 Ų121.136%0.36462%0.615SS.*  trans-65.5113.6164.3-175.60000105.8I63 C87 V91I63-V89 HydrophobicContact CD1-CG2 3.95Å; I63-V89 HydrophobicContact CG2-CG2 3.96Å; C87-V89 PolarHBondContact O-N 3.31Å; V89-V91 PolarHBondContact O-N 2.81Å
90E53.2Low51.5Low186 Ų186120.2 Ų120.287%0.86961%0.607SS**  trans-64.3102171.1-69.3-173.5-178.900107.6Q88 K92Q88-E90 PolarHBondContact O-N 3.44Å; E90-K92 PolarHBondContact O-N 3.01Å
91V50.1Low52Low138 Ų138117.8 Ų117.884%0.83660%0.6SS**  trans-73.3114.9169.3-174.50000106.3V89V89-V91 PolarHBondContact O-N 2.81Å
92K40.4Very low52.8Low273 Ų273115.7 Ų115.7100%1.18760%0.595SS**  trans-91.30173.1-131.6-175-171.8178.50110.6E90E90-K92 PolarHBondContact O-N 3.01Å

Retrieved 92 of 92 residues in 69.2 ms (Link to these results)