A0A5K4F6L4_SCHMA Loading...

G-patch domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6L4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 135 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
1M79.5Confident86.3Confident236 Ų236111.5 Ų111.5100%1.16364%0.644SS**  0-21.10-62.2-54.2-8200113.6Y3M1-Y3 PolarHBondContact O-N 3Å
2G87.2Confident86.4Confident82 Ų82111.3 Ų111.385%0.84564%0.639SS**  trans66.322.917300000114.5
3Y87.4Confident86.2Confident120 Ų120105.5 Ų105.547%0.47161%0.612SS.*PPolyproline II helixtrans-76.6126.4178.2175.8-104.5000110.5M1 Q7 L9M1-Y3 PolarHBondContact O-N 3Å; Y3-Q7 WeakPolarHBondContact CE2-O 3.43Å; Y3-Q7 PolarHBondContact OH-O 2.85Å; Y3-L9 HydrophobicContact CD2-CD2 3.57Å; Y3-L9 HydrophobicContact CE2-CD2 3.9Å
4E85Confident86.4Confident120 Ų120109.2 Ų109.256%0.56162%0.621SS**PPolyproline II helixtrans-95.8130.9171.5-64.9-170.4167.900110.3G6 Q7E4-G6 PolarHBondContact O-N 3.19Å; E4-Q7 HydrophobicContact CB-CB 4.45Å; E4-Q7 HydrophobicContact CB-CG 4.31Å; E4-Q7 PolarHBondContact O-N 3.23Å; E4-Q7 VanDerWaalsContact O-N 3.15Å; E4-Q7 PolarHBondContact OE2-NE2 3.01Å; E4-Q7 PolarHBondContact OE2-OE1 3.12Å
5H86.4Confident86.6Confident186 Ų186103.8 Ų103.886%0.86160%0.599SS**THydrogen-bonded Turntrans-61.3128.7-179.8-177.772.8000110.9
6G86.7Confident86.7Confident45 Ų45104.4 Ų104.446%0.46460%0.604SS.*THydrogen-bonded Turntrans90-3.8-178.800000114.8E4 V17E4-G6 PolarHBondContact O-N 3.19Å; G6-V17 WeakPolarHBondContact O-CG2 3.19Å
7Q86.9Confident86.9Confident85 Ų85102.9 Ų102.940%0.39760%0.597SS.*PPolyproline II helixtrans-95.8148.8172.4-74-176.73.500111.9Y3 E4 A13Y3-Q7 WeakPolarHBondContact CE2-O 3.43Å; Y3-Q7 PolarHBondContact OH-O 2.85Å; E4-Q7 HydrophobicContact CB-CB 4.45Å; E4-Q7 HydrophobicContact CB-CG 4.31Å; E4-Q7 PolarHBondContact O-N 3.23Å; E4-Q7 VanDerWaalsContact O-N 3.15Å; E4-Q7 PolarHBondContact OE2-NE2 3.01Å; E4-Q7 PolarHBondContact OE2-OE1 3.12Å; Q7-A13 HydrophobicContact CB-CB 4.11Å; Q7-A13 HydrophobicContact CG-CB 4.33Å
8G87.8Confident87Confident7 Ų7105.7 Ų105.77%0.07260%0.603CS.*PPolyproline II helixtrans-68.6153.4170.800000111.6A13 G15G8-A13 PolarHBondContact N-O 3.05Å; G8-A13 VanDerWaalsContact O-CA 3.3Å; G8-A13 WeakPolarHBondContact O-CA 3.42Å; G8-G15 WeakPolarHBondContact CA-O 3.31Å
9L87.7Confident87.1Confident131 Ų131106.8 Ų106.869%0.68662%0.615SS**SBendtrans-71151.2169.7-63176.7000111Y3 G15Y3-L9 HydrophobicContact CD2-CD2 3.57Å; Y3-L9 HydrophobicContact CE2-CD2 3.9Å; L9-G15 VanDerWaalsContact O-CA 3.27Å; L9-G15 WeakPolarHBondContact O-CA 3.45Å; L9-G15 PolarHBondContact O-N 2.73Å
10G87.8Confident87.2Confident62 Ų62106.9 Ų106.964%0.63962%0.617SS**SBendtrans120.3162.6177.500000113.2N12 A13G10-N12 PolarHBondContact O-N 3.36Å; G10-N12 VanDerWaalsContact O-N 3.08Å; G10-A13 PolarHBondContact O-N 2.68Å
11V86.6Confident87.3Confident152 Ų152106.5 Ų106.592%0.92163%0.626SS**THydrogen-bonded Turntrans-56-30.3-174.2179.70000112.9
12N88.4Confident87.6Confident110 Ų110102.7 Ų102.759%0.58861%0.61SS**THydrogen-bonded Turntrans-113.916.9-178-59.1-16.7000113.1G10 H14G10-N12 PolarHBondContact O-N 3.36Å; G10-N12 VanDerWaalsContact O-N 3.08Å; N12-H14 WeakPolarHBondContact CB-CD2 3.5Å; N12-H14 VanDerWaalsContact CB-NE2 3.27Å; N12-H14 WeakPolarHBondContact CB-NE2 3.25Å; N12-H14 PolarHBondContact O-CE1 3.16Å; N12-H14 VanDerWaalsContact O-CE1 3.28Å; N12-H14 PolarHBondContact O-N 3.33Å; N12-H14 VanDerWaalsContact O-N 3.16Å; N12-H14 PolarHBondContact O-ND1 3.46Å
13A83.6Confident87.3Confident35 Ų35104.5 Ų104.529%0.28961%0.61SS.*SBendtrans56.826.5-17900000116.2Q7 G8 G10Q7-A13 HydrophobicContact CB-CB 4.11Å; Q7-A13 HydrophobicContact CG-CB 4.33Å; G8-A13 PolarHBondContact N-O 3.05Å; G8-A13 VanDerWaalsContact O-CA 3.3Å; G8-A13 WeakPolarHBondContact O-CA 3.42Å; G10-A13 PolarHBondContact O-N 2.68Å
14H88.9Confident87Confident158 Ų158108.4 Ų108.473%0.73163%0.629SS**  trans-902.4-176.6-61.1-38.3000115.2N12N12-H14 WeakPolarHBondContact CB-CD2 3.5Å; N12-H14 VanDerWaalsContact CB-NE2 3.27Å; N12-H14 WeakPolarHBondContact CB-NE2 3.25Å; N12-H14 PolarHBondContact O-CE1 3.16Å; N12-H14 VanDerWaalsContact O-CE1 3.28Å; N12-H14 PolarHBondContact O-N 3.33Å; N12-H14 VanDerWaalsContact O-N 3.16Å; N12-H14 PolarHBondContact O-ND1 3.46Å
15G89.3Confident86.5Confident28 Ų28108 Ų10829%0.28963%0.627SS.*SBendtrans-63.2154.717600000112.5G8 L9 V17G8-G15 WeakPolarHBondContact CA-O 3.31Å; L9-G15 VanDerWaalsContact O-CA 3.27Å; L9-G15 WeakPolarHBondContact O-CA 3.45Å; L9-G15 PolarHBondContact O-N 2.73Å; G15-V17 PolarHBondContact O-N 3.46Å
16V88.3Confident85.9Confident114 Ų114103.9 Ų103.969%0.69161%0.607SS**  trans-65.3130.3172-164.40000108.5E18V16-E18 WeakPolarHBondContact CG1-O 3.26Å
17V90Very high85.3Confident79 Ų79102.1 Ų102.148%0.47959%0.589SS.*SBendtrans-80.6-30.6-178.4-176.40000111.1G6 G15G6-V17 WeakPolarHBondContact O-CG2 3.19Å; G15-V17 PolarHBondContact O-N 3.46Å
18E89.1Confident84.8Confident152 Ų152108.3 Ų108.371%0.7161%0.609SS**SBendtrans-112.6148.8-179.6-63.5-173166.900111.3V16 V20V16-E18 WeakPolarHBondContact CG1-O 3.26Å; E18-V20 PolarHBondContact O-N 3.17Å
19P87.9Confident84.1Confident128 Ų128110.6 Ų110.683%0.83162%0.623SS**PPolyproline II helixtrans-57.8139.2172.5-22.333.1000111.7A21P19-A21 PolarHBondContact O-N 2.69Å
20V89.7Confident83.5Confident107 Ų107106.6 Ų106.665%0.64861%0.614SS**PPolyproline II helixtrans-71.9120.5174.2-179.50000109E18 L22E18-V20 PolarHBondContact O-N 3.17Å; V20-L22 PolarHBondContact O-N 2.6Å
21A88.6Confident82.9Confident99 Ų99111.7 Ų111.782%0.81863%0.626SS**PPolyproline II helixtrans-65.3128.8175.300000110.5P19P19-A21 PolarHBondContact O-N 2.69Å
22L86.7Confident82.5Confident156 Ų156108.2 Ų108.282%0.81762%0.62SS**  trans-104.8136.2175.5-60.7177.7000109.8V20V20-L22 PolarHBondContact O-N 2.6Å
23S80.3Confident81.6Confident121 Ų121106.5 Ų106.585%0.84662%0.617SS**PPolyproline II helixtrans-86.3125.916859.80000109.7
24K80.5Confident80.5Confident201 Ų201110.8 Ų110.887%0.87464%0.64SS**PPolyproline II helixtrans-85.4132.8169-64.2-172.7178.6-176.20109.5
25Q75.3Confident79Confident112 Ų112109.5 Ų109.552%0.52363%0.632SS.*PPolyproline II helixtrans-66.9134.2164.2-173.8177.1-48.100107.8G27 S29Q25-G27 WeakPolarHBondContact CG-O 3.43Å; Q25-G27 PolarHBondContact NE2-O 2.85Å; Q25-S29 PolarHBondContact NE2-O 2.9Å
26K73Confident77.4Confident100 Ų100112.3 Ų112.344%0.43564%0.644SS.*  trans-123.7112.9177.8168.570.7-178.6-178.40107.4K35 A72 D73K26-K35 VanDerWaalsContact CB-NZ 3.31Å; K26-K35 PolarHBondContact O-NZ 2.89Å; K26-A72 WeakPolarHBondContact CD-O 3.26Å; K26-A72 WeakPolarHBondContact CE-O 3.33Å; K26-A72 PolarHBondContact NZ-O 2.79Å; K26-D73 WeakPolarHBondContact CE-O 3.42Å; K26-D73 PolarHBondContact NZ-O 3.32Å
27G75.4Confident75.6Confident8 Ų8114.2 Ų114.28%0.08266%0.656CS.*SBendtrans84.3-179.4-170.700000112.4Q25 S29 D73Q25-G27 WeakPolarHBondContact CG-O 3.43Å; Q25-G27 PolarHBondContact NE2-O 2.85Å; G27-S29 VanDerWaalsContact C-N 3.28Å; G27-S29 PolarHBondContact O-N 3.48Å; G27-D73 WeakPolarHBondContact CA-OD1 3.49Å; G27-D73 PolarHBondContact N-OD1 3.04Å
28R75.8Confident73.5Confident214 Ų214115 Ų11581%0.80867%0.665SS**SBendtrans-91.527.9-176.6-59174.665.5152.31.6114
29S72.8Confident71.3Confident55 Ų55110.9 Ų110.939%0.38565%0.652SS.*PPolyproline II helixtrans-66.7138.1179.5-62.20000111Q25 G27Q25-S29 PolarHBondContact NE2-O 2.9Å; G27-S29 VanDerWaalsContact C-N 3.28Å; G27-S29 PolarHBondContact O-N 3.48Å
30G76.2Confident69.2Low48 Ų48109.1 Ų109.150%0.49564%0.644SS.*PPolyproline II helixtrans-61.8148.9177.100000112.2G32 S33G30-G32 PolarHBondContact O-N 3.01Å; G30-S33 WeakPolarHBondContact O-CB 3.4Å; G30-S33 PolarHBondContact O-N 3.28Å; G30-S33 PolarHBondContact O-OG 2.86Å
31L75.5Confident67Low169 Ų169111.2 Ų111.289%0.88565%0.651SS**THydrogen-bonded Turntrans-52.9130.7175-65.4171.8000110.3
32G78.2Confident64.9Low78 Ų78114 Ų11480%0.80465%0.645SS**THydrogen-bonded Turntrans89.5-3-175.300000115.2G30 V34G30-G32 PolarHBondContact O-N 3.01Å; G32-V34 PolarHBondContact O-N 2.95Å
33S68.8Low62.8Low75 Ų75114.3 Ų114.352%0.52464%0.64SS.*  trans-68.896.8170.5-59.70000109.7G30 K35G30-S33 WeakPolarHBondContact O-CB 3.4Å; G30-S33 PolarHBondContact O-N 3.28Å; G30-S33 PolarHBondContact O-OG 2.86Å; S33-K35 PolarHBondContact O-N 3.31Å
34V60.1Low61.2Low125 Ų125112.9 Ų112.976%0.75862%0.621SS**  trans-67114.5174.3-179.90000107.5G32 T36G32-V34 PolarHBondContact O-N 2.95Å; V34-T36 VanDerWaalsContact C-N 3.29Å; V34-T36 PolarHBondContact O-N 2.97Å
35K57.8Low59.4Low130 Ų130111.1 Ų111.157%0.56562%0.616SS**  trans-63.197.6165.9-69.7-171.2-179.8-166.20106.6K26 S33 T37K26-K35 VanDerWaalsContact CB-NZ 3.31Å; K26-K35 PolarHBondContact O-NZ 2.89Å; S33-K35 PolarHBondContact O-N 3.31Å; K35-T37 PolarHBondContact O-N 2.95Å; K35-T37 VanDerWaalsContact O-N 3.15Å
36T54.6Low57.8Low88 Ų88109.8 Ų109.854%0.5462%0.619SS.*  trans-58.9122.1165.547.60000105.9V34 S38 S39V34-T36 VanDerWaalsContact C-N 3.29Å; V34-T36 PolarHBondContact O-N 2.97Å; T36-S38 PolarHBondContact O-N 3.01Å; T36-S39 PolarHBondContact O-N 2.69Å; T36-S39 VanDerWaalsContact O-N 3.09Å
37T51.5Low56.5Low154 Ų154113.4 Ų113.495%0.94564%0.635SS**THydrogen-bonded Turntrans-65.320.5-179.341.10000113.3K35K35-T37 PolarHBondContact O-N 2.95Å; K35-T37 VanDerWaalsContact O-N 3.15Å
38S45.2Very low55.3Low95 Ų95118.9 Ų118.966%0.66467%0.672SS**THydrogen-bonded Turntrans-107.35.3169.158.10000113.7T36T36-S38 PolarHBondContact O-N 3.01Å
39S42.8Very low54.1Low65 Ų65110.8 Ų110.846%0.45566%0.655SS.*  trans-105.445.5174.4-172.10000112.5T36T36-S39 PolarHBondContact O-N 2.69Å; T36-S39 VanDerWaalsContact O-N 3.09Å
40S44.7Very low53.3Low92 Ų92117.4 Ų117.464%0.64368%0.68SS**SBendtrans-68123.6144.750.90000106.3
41D44.1Very low52.7Low151 Ų151120.4 Ų120.481%0.80768%0.684SS**  trans6248.9171.2-46.3-34.3000115.7K43D41-K43 PolarHBondContact O-N 2.6Å
42K42.8Very low52.2Low157 Ų157120.3 Ų120.368%0.68367%0.673SS**  trans-7475140.5-69.7-158.6179.1-165.90107.3I44K42-I44 PolarHBondContact O-N 3.33Å
43K43.5Very low51.5Low163 Ų163124.7 Ų124.771%0.70967%0.673SS**  trans-34.4116.6143.9177.5-176.9-176.2-176.20104.1D41 E45D41-K43 PolarHBondContact O-N 2.6Å; K43-E45 VanDerWaalsContact C-N 3.3Å; K43-E45 WeakPolarHBondContact O-CA 3.36Å; K43-E45 PolarHBondContact O-N 2.88Å
44I47.2Very low51.5Low90 Ų90122.2 Ų122.246%0.46266%0.655SS.*  trans-38.7108.2173.2-68.1168.8000104.3K42 S46 F47K42-I44 PolarHBondContact O-N 3.33Å; I44-S46 VanDerWaalsContact C-N 3.31Å; I44-S46 WeakPolarHBondContact O-CA 3.48Å; I44-S46 PolarHBondContact O-N 2.96Å; I44-F47 HydrophobicContact CG2-CD2 4.01Å; I44-F47 HydrophobicContact CG2-CE2 4.41Å
45E42Very low52.3Low165 Ų165122.1 Ų122.177%0.77166%0.66SS**  trans-53.4111.1-176.1-104.8175172.300103K43 F47K43-E45 VanDerWaalsContact C-N 3.3Å; K43-E45 WeakPolarHBondContact O-CA 3.36Å; K43-E45 PolarHBondContact O-N 2.88Å; E45-F47 PolarHBondContact O-N 3.37Å
46S42.4Very low53Low83 Ų83118.8 Ų118.858%0.5865%0.649SS**  trans-36.3114.6-165.4-38.60000106.8I44 S48I44-S46 VanDerWaalsContact C-N 3.31Å; I44-S46 WeakPolarHBondContact O-CA 3.48Å; I44-S46 PolarHBondContact O-N 2.96Å; S46-S48 PolarHBondContact O-N 3.33Å
47F45.1Very low53.9Low177 Ų177125.5 Ų125.578%0.77666%0.664SS**  trans-51.799.9170.3-103.8-97.2000104.3I44 E45 G49I44-F47 HydrophobicContact CG2-CD2 4.01Å; I44-F47 HydrophobicContact CG2-CE2 4.41Å; E45-F47 PolarHBondContact O-N 3.37Å; F47-G49 PolarHBondContact O-N 2.99Å
48S50.5Low55.1Low123 Ų123122.3 Ų122.386%0.8664%0.641SS**  trans-81.60.5177.456.90000109.9S46S46-S48 PolarHBondContact O-N 3.33Å
49G51.1Low56.4Low44 Ų44120.3 Ų120.345%0.45462%0.623SS.*SBendtrans-70.6124.2157.200000108.3F47 L51F47-G49 PolarHBondContact O-N 2.99Å; G49-L51 PolarHBondContact O-N 3.25Å
50E55.8Low57.9Low194 Ų194119.2 Ų119.291%0.90761%0.614SS**  trans-36.5109.9170-65.4173.2160.100109Y52E50-Y52 PolarHBondContact O-N 3.31Å
51L63.8Low59.3Low110 Ų110119.2 Ų119.258%0.57660%0.6SS**  trans-47.9121.3168.4-102.1151.9000106.1G49 Q53 W61G49-L51 PolarHBondContact O-N 3.25Å; L51-Q53 PolarHBondContact O-N 2.65Å; L51-W61 VanDerWaalsContact CD2-CD1 3.41Å; L51-W61 HydrophobicContact CD2-CG 4.32Å
52Y63.3Low60.6Low168 Ų168115.2 Ų115.266%0.65958%0.576SS**  trans-53.5110.9179.8175.5-92.2000107.7E50 W80E50-Y52 PolarHBondContact O-N 3.31Å; Y52-W80 AromaticContact CD1-CH2 3.92Å; Y52-W80 HydrophobicContact CD1-CH2 3.92Å; Y52-W80 AromaticContact CD1-CZ2 3.91Å; Y52-W80 HydrophobicContact CD1-CZ2 3.91Å; Y52-W80 HydrophobicContact CE1-CH2 4.48Å; Y52-W80 HydrophobicContact CE1-CZ2 4.45Å; Y52-W80 WeakPolarHBondContact O-CH2 3.43Å
53Q65.1Low62.1Low170 Ų170112.5 Ų112.579%0.79457%0.566SS**  trans-91117.8176.4-161.1169.88.600106.3L51 S55L51-Q53 PolarHBondContact O-N 2.65Å; Q53-S55 PolarHBondContact O-N 3.44Å
54S68.1Low63.1Low22 Ų22105.6 Ų105.615%0.15454%0.54CS..  trans-53.8142.5174.3-176.60000109.6N56S54-N56 PolarHBondContact O-N 3.05Å; S54-N56 PolarHBondContact OG-N 2.93Å
55S76.4Confident63.4Low123 Ų123105.5 Ų105.586%0.8655%0.547SS*.SBendtrans-60.5-22.4170.253.10000111.8Q53Q53-S55 PolarHBondContact O-N 3.44Å
56N72.1Confident64.1Low61 Ų61100.6 Ų100.633%0.32653%0.526SS..SBendtrans-84111.2170.6-171.8-17.3000110.1S54 N58 L59 M82S54-N56 PolarHBondContact O-N 3.05Å; S54-N56 PolarHBondContact OG-N 2.93Å; N56-N58 PolarHBondContact O-N 2.92Å; N56-N58 VanDerWaalsContact O-N 3.12Å; N56-N58 WeakPolarHBondContact OD1-CB 3.38Å; N56-N58 PolarHBondContact OD1-N 3.3Å; N56-L59 HydrophobicContact CB-CB 4.34Å; N56-L59 HydrophobicContact CB-CD1 4.01Å; N56-L59 PolarHBondContact O-N 2.98Å; N56-M82 WeakPolarHBondContact ND2-CE 3.19Å
57R74.7Confident64.7Low228 Ų228102.9 Ų102.986%0.8653%0.531SS*.THydrogen-bonded Turntrans-60.2-21179.2-69.9-173.3-178.9-177.60.5114.1
58N75.7Confident65.2Low88 Ų8898.8 Ų98.847%0.47152%0.518SS..THydrogen-bonded Turntrans-83.7-18.1179-55.9-15.5000111.4N56 M82 E83N56-N58 PolarHBondContact O-N 2.92Å; N56-N58 VanDerWaalsContact O-N 3.12Å; N56-N58 WeakPolarHBondContact OD1-CB 3.38Å; N56-N58 PolarHBondContact OD1-N 3.3Å; N58-M82 HydrophobicContact CB-CE 4.33Å; N58-M82 HydrophobicContact CB-CG 3.65Å; N58-M82 HydrophobicContact CB-SD 4.26Å; N58-M82 CarbonylContact O-C 3.46Å; N58-M82 WeakPolarHBondContact O-CA 3.39Å; N58-E83 PolarHBondContact O-N 2.93Å
59L73.7Confident65.4Low52 Ų52104 Ų10427%0.27252%0.52SS..EExtended strand (participates in β ladder)trans-84.5115.3176.5-107.6114.7000110N56 W80 M82N56-L59 HydrophobicContact CB-CB 4.34Å; N56-L59 HydrophobicContact CB-CD1 4.01Å; N56-L59 PolarHBondContact O-N 2.98Å; L59-W80 HydrophobicContact CB-CE3 4.15Å; L59-W80 HydrophobicContact CB-CZ3 4.32Å; L59-W80 HydrophobicContact CD2-CB 3.95Å; L59-W80 HydrophobicContact CD2-CD2 3.72Å; L59-W80 HydrophobicContact CD2-CE3 3.53Å; L59-W80 HydrophobicContact CD2-CG 3.92Å; L59-W80 HydrophobicContact CD2-CZ3 4.26Å; L59-W80 HydrophobicContact CG-CE3 4.36Å; L59-M82 HydrophobicContact CD1-CE 3.7Å
60V73.4Confident65.6Low43 Ų43106.7 Ų106.726%0.26153%0.528SS..EExtended strand (participates in β ladder)trans-118.5133.1-179.2-176.20000109H62 S81 E83V60-H62 VanDerWaalsContact CB-NE2 3.26Å; V60-H62 WeakPolarHBondContact CB-NE2 3.49Å; V60-H62 WeakPolarHBondContact CG1-CE1 3.45Å; V60-H62 VanDerWaalsContact CG1-NE2 3.31Å; V60-H62 WeakPolarHBondContact CG1-NE2 3.39Å; V60-H62 PolarHBondContact O-CD2 2.9Å; V60-H62 VanDerWaalsContact O-CD2 3.28Å; V60-S81 PolarHBondContact N-O 3.46Å; V60-S81 PolarHBondContact O-N 2.77Å; V60-E83 HydrophobicContact CG2-CB 4.14Å
61W75.5Confident65.5Low92 Ų92100.4 Ų100.435%0.34850%0.503SS..EExtended strand (participates in β ladder)trans-86.5107.9175.1-170.9-114.3000108.3L51 W78 W80L51-W61 VanDerWaalsContact CD2-CD1 3.41Å; L51-W61 HydrophobicContact CD2-CG 4.32Å; W61-W78 AromaticContact CD1-CE3 3.26Å; W61-W78 AromaticContact CD1-CZ3 3.75Å; W61-W78 HydrophobicContact CD2-CB 4.29Å; W61-W78 VanDerWaalsContact CE2-CB 3.45Å; W61-W78 HydrophobicContact CG-CE3 4.19Å; W61-W78 HydrophobicContact CH2-CB 3.81Å; W61-W78 HydrophobicContact CZ2-CB 3.22Å; W61-W78 HydrophobicContact CZ2-CG 4.12Å; W61-W78 HydrophobicContact CZ3-CB 4.5Å; W61-W78 AromaticContact NE1-CD2 3.58Å; W61-W78 AromaticContact NE1-CE3 3.17Å; W61-W78 AromaticContact NE1-CG 3.83Å; W61-W78 AromaticContact NE1-CZ3 3.99Å; W61-W80 HydrophobicContact CB-CE3 4.04Å; W61-W80 HydrophobicContact CB-CH2 3.93Å; W61-W80 HydrophobicContact CB-CZ2 4.39Å; W61-W80 HydrophobicContact CB-CZ3 3.74Å; W61-W80 HydrophobicContact CD2-CD2 4.33Å; W61-W80 HydrophobicContact CD2-CZ2 4.23Å; W61-W80 HydrophobicContact CE3-CB 4.32Å; W61-W80 AromaticContact CE3-CD1 3.51Å; W61-W80 AromaticContact CE3-CD2 3.36Å; W61-W80 HydrophobicContact CE3-CD2 3.36Å; W61-W80 AromaticContact CE3-CE2 3.28Å; W61-W80 HydrophobicContact CE3-CE3 4.02Å; W61-W80 AromaticContact CE3-CG 3.5Å; W61-W80 HydrophobicContact CE3-CG 3.5Å; W61-W80 HydrophobicContact CE3-CH2 4.49Å; W61-W80 AromaticContact CE3-CZ2 3.88Å; W61-W80 HydrophobicContact CE3-CZ2 3.88Å; W61-W80 AromaticContact CE3-NE1 3.34Å; W61-W80 VanDerWaalsContact CE3-NE1 3.34Å; W61-W80 HydrophobicContact CZ3-CB 4.44Å; W61-W80 AromaticContact CZ3-CD1 3.2Å; W61-W80 AromaticContact CZ3-CD2 3.95Å; W61-W80 HydrophobicContact CZ3-CD2 3.95Å; W61-W80 AromaticContact CZ3-CE2 3.7Å; W61-W80 AromaticContact CZ3-CG 3.64Å; W61-W80 HydrophobicContact CZ3-CG 3.64Å; W61-W80 AromaticContact CZ3-NE1 3.19Å
62H70.8Confident65.2Low66 Ų6698.6 Ų98.631%0.30650%0.504SS..EExtended strand (participates in β ladder)trans-105.1141.6-178.8-61.2-84.3000110.9V60 G64 W78 S79 S81V60-H62 VanDerWaalsContact CB-NE2 3.26Å; V60-H62 WeakPolarHBondContact CB-NE2 3.49Å; V60-H62 WeakPolarHBondContact CG1-CE1 3.45Å; V60-H62 VanDerWaalsContact CG1-NE2 3.31Å; V60-H62 WeakPolarHBondContact CG1-NE2 3.39Å; V60-H62 PolarHBondContact O-CD2 2.9Å; V60-H62 VanDerWaalsContact O-CD2 3.28Å; H62-G64 PolarHBondContact O-N 2.73Å; H62-W78 WeakPolarHBondContact O-CA 3.18Å; H62-S79 PolarHBondContact N-O 3.02Å; H62-S79 PolarHBondContact O-N 2.72Å; H62-S81 PolarHBondContact CD2-OG 3.1Å; H62-S81 PolarHBondContact NE2-OG 3.43Å
63E73.9Confident65.1Low101 Ų10193.1 Ų93.147%0.47249%0.486SS..EExtended strand (participates in β ladder)trans-74.2107.7162.9-170.1170.7-147.500107.6Y76 T77 W78E63-Y76 HydrophobicContact CG-CD1 3.98Å; E63-Y76 HydrophobicContact CG-CG 4.45Å; E63-Y76 WeakPolarHBondContact OE1-CD1 3.44Å; E63-T77 CarbonylContact C-O 3.32Å; E63-W78 HydrophobicContact CB-CD2 4.28Å; E63-W78 HydrophobicContact CB-CE3 4Å; E63-W78 HydrophobicContact CB-CH2 3.84Å; E63-W78 HydrophobicContact CB-CZ2 4.08Å; E63-W78 HydrophobicContact CB-CZ3 3.8Å; E63-W78 HydrophobicContact CG-CD2 4.49Å; E63-W78 HydrophobicContact CG-CH2 4.22Å; E63-W78 HydrophobicContact CG-CZ2 3.97Å
64G64.9Low64.7Low17 Ų1787.3 Ų87.318%0.17547%0.472CS..EExtended strand (participates in β ladder)trans-79.8123.6167.200000109.4H62 T77H62-G64 PolarHBondContact O-N 2.73Å; G64-T77 CarbonylContact C-O 3.5Å; G64-T77 WeakPolarHBondContact CA-O 3.28Å; G64-T77 PolarHBondContact N-O 3.41Å; G64-T77 PolarHBondContact O-N 2.86Å; G64-T77 PolarHBondContact O-OG1 2.94Å; G64-T77 VanDerWaalsContact O-OG1 3.1Å
65C53.9Low64.6Low88 Ų8889.5 Ų89.560%0.59548%0.482SS*.  trans-76.5125.4156.1-167.20000106D67C65-D67 WeakPolarHBondContact CB-OD1 3.41Å; C65-D67 PolarHBondContact O-N 3.03Å; C65-D67 VanDerWaalsContact O-OD1 3.13Å
66D55.7Low64.2Low63 Ų6390.5 Ų90.534%0.33747%0.468SS..  trans-69.392.8164.2-165.75.9000105.7D68 T71D66-D68 PolarHBondContact O-N 3.32Å; D66-D68 VanDerWaalsContact O-N 3.16Å; D66-D68 WeakPolarHBondContact OD1-CB 3.18Å; D66-D68 PolarHBondContact OD1-N 2.63Å; D66-T71 VanDerWaalsContact CG-OG1 3.31Å; D66-T71 WeakPolarHBondContact OD2-CB 3.4Å; D66-T71 WeakPolarHBondContact OD2-CG2 3.17Å; D66-T71 PolarHBondContact OD2-OG1 3.29Å
67D55.6Low64Low130 Ų13090.9 Ų90.970%0.69547%0.472SS*.  trans-65-10.9178.2-63.7-4.4000110.9C65 Y69C65-D67 WeakPolarHBondContact CB-OD1 3.41Å; C65-D67 PolarHBondContact O-N 3.03Å; C65-D67 VanDerWaalsContact O-OD1 3.13Å; D67-Y69 PolarHBondContact O-N 3.02Å; D67-Y69 VanDerWaalsContact O-N 3.1Å
68D55.7Low64Low92 Ų9284.9 Ų84.949%0.49245%0.45SS..  trans-74.3101.8171.9-149.216.4000108.7D66 T70 T71D66-D68 PolarHBondContact O-N 3.32Å; D66-D68 VanDerWaalsContact O-N 3.16Å; D66-D68 WeakPolarHBondContact OD1-CB 3.18Å; D66-D68 PolarHBondContact OD1-N 2.63Å; D68-T70 PolarHBondContact O-N 3.16Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.47Å; D68-T70 PolarHBondContact OD2-OG1 3.46Å; D68-T71 PolarHBondContact O-N 3.1Å; D68-T71 PolarHBondContact O-OG1 3.36Å
69Y53.9Low63.8Low233 Ų23383.5 Ų83.591%0.91445%0.447SS*.THydrogen-bonded Turntrans-55.25.1172.1-65.7-82.9000114.1D67D67-Y69 PolarHBondContact O-N 3.02Å; D67-Y69 VanDerWaalsContact O-N 3.1Å
70T55.5Low63.9Low99 Ų9986.1 Ų86.161%0.60745%0.453SS*.THydrogen-bonded Turntrans-84.6-26.2179.366.30000112.6D68 A72D68-T70 PolarHBondContact O-N 3.16Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.47Å; D68-T70 PolarHBondContact OD2-OG1 3.46Å; T70-A72 PolarHBondContact O-N 3.23Å
71T54.6Low63.7Low62 Ų6286.2 Ų86.238%0.3846%0.456SS..  trans-77.598.617433.10000110D66 D68 D73 G74D66-T71 VanDerWaalsContact CG-OG1 3.31Å; D66-T71 WeakPolarHBondContact OD2-CB 3.4Å; D66-T71 WeakPolarHBondContact OD2-CG2 3.17Å; D66-T71 PolarHBondContact OD2-OG1 3.29Å; D68-T71 PolarHBondContact O-N 3.1Å; D68-T71 PolarHBondContact O-OG1 3.36Å; T71-D73 PolarHBondContact O-N 3.09Å; T71-G74 PolarHBondContact O-N 2.72Å
72A55.9Low63.4Low72 Ų7285.2 Ų85.260%0.59546%0.456SS*.THydrogen-bonded Turntrans-53.7-15.7177.900000113.9K26 T70K26-A72 WeakPolarHBondContact CD-O 3.26Å; K26-A72 WeakPolarHBondContact CE-O 3.33Å; K26-A72 PolarHBondContact NZ-O 2.79Å; T70-A72 PolarHBondContact O-N 3.23Å
73D61.7Low63Low53 Ų5388.8 Ų88.828%0.28347%0.473SS..THydrogen-bonded Turntrans-89.4-21.2-171.5-70.3-25000114.1K26 G27 T71 D75K26-D73 WeakPolarHBondContact CE-O 3.42Å; K26-D73 PolarHBondContact NZ-O 3.32Å; G27-D73 WeakPolarHBondContact CA-OD1 3.49Å; G27-D73 PolarHBondContact N-OD1 3.04Å; T71-D73 PolarHBondContact O-N 3.09Å; D73-D75 PolarHBondContact O-N 3.28Å
74G58Low62.2Low49 Ų4986.6 Ų86.651%0.50548%0.477SS..  trans5732.6-176.100000111.9T71T71-G74 PolarHBondContact O-N 2.72Å
75D65.8Low61.5Low67 Ų6794.8 Ų94.836%0.35851%0.511SS..PPolyproline II helixtrans-74.5127.4-178.7-73-11.9000108.2D73 T77D73-D75 PolarHBondContact O-N 3.28Å; D75-T77 PolarHBondContact O-N 3.25Å
76Y66.9Low61.2Low145 Ų14595.5 Ų95.557%0.56952%0.515SS*.PPolyproline II helixtrans-66.7121.3169-63.9-79.4000108.3E63E63-Y76 HydrophobicContact CG-CD1 3.98Å; E63-Y76 HydrophobicContact CG-CG 4.45Å; E63-Y76 WeakPolarHBondContact OE1-CD1 3.44Å
77T68.6Low61Low69 Ų6995.1 Ų95.142%0.42352%0.516SS..EExtended strand (participates in β ladder)trans-89.5147.2171.254.70000108.2E63 G64 D75E63-T77 CarbonylContact C-O 3.32Å; G64-T77 CarbonylContact C-O 3.5Å; G64-T77 WeakPolarHBondContact CA-O 3.28Å; G64-T77 PolarHBondContact N-O 3.41Å; G64-T77 PolarHBondContact O-N 2.86Å; G64-T77 PolarHBondContact O-OG1 2.94Å; G64-T77 VanDerWaalsContact O-OG1 3.1Å; D75-T77 PolarHBondContact O-N 3.25Å
78W73.5Confident60.5Low102 Ų10294.6 Ų94.639%0.38652%0.518SS..EExtended strand (participates in β ladder)trans-120.6129.7173.8-66.378.7000107.9W61 H62 E63W61-W78 AromaticContact CD1-CE3 3.26Å; W61-W78 AromaticContact CD1-CZ3 3.75Å; W61-W78 HydrophobicContact CD2-CB 4.29Å; W61-W78 VanDerWaalsContact CE2-CB 3.45Å; W61-W78 HydrophobicContact CG-CE3 4.19Å; W61-W78 HydrophobicContact CH2-CB 3.81Å; W61-W78 HydrophobicContact CZ2-CB 3.22Å; W61-W78 HydrophobicContact CZ2-CG 4.12Å; W61-W78 HydrophobicContact CZ3-CB 4.5Å; W61-W78 AromaticContact NE1-CD2 3.58Å; W61-W78 AromaticContact NE1-CE3 3.17Å; W61-W78 AromaticContact NE1-CG 3.83Å; W61-W78 AromaticContact NE1-CZ3 3.99Å; H62-W78 WeakPolarHBondContact O-CA 3.18Å; E63-W78 HydrophobicContact CB-CD2 4.28Å; E63-W78 HydrophobicContact CB-CE3 4Å; E63-W78 HydrophobicContact CB-CH2 3.84Å; E63-W78 HydrophobicContact CB-CZ2 4.08Å; E63-W78 HydrophobicContact CB-CZ3 3.8Å; E63-W78 HydrophobicContact CG-CD2 4.49Å; E63-W78 HydrophobicContact CG-CH2 4.22Å; E63-W78 HydrophobicContact CG-CZ2 3.97Å
79S71.7Confident60.2Low59 Ų5994.4 Ų94.441%0.41352%0.517SS..EExtended strand (participates in β ladder)trans-131.4144.1-177.661.10000110.6H62H62-S79 PolarHBondContact N-O 3.02Å; H62-S79 PolarHBondContact O-N 2.72Å
80W76.8Confident60.1Low107 Ų10785.6 Ų85.641%0.40549%0.49SS..EExtended strand (participates in β ladder)trans-77.2122.5165.6-74.4110.5000107.7Y52 L59 W61Y52-W80 AromaticContact CD1-CH2 3.92Å; Y52-W80 HydrophobicContact CD1-CH2 3.92Å; Y52-W80 AromaticContact CD1-CZ2 3.91Å; Y52-W80 HydrophobicContact CD1-CZ2 3.91Å; Y52-W80 HydrophobicContact CE1-CH2 4.48Å; Y52-W80 HydrophobicContact CE1-CZ2 4.45Å; Y52-W80 WeakPolarHBondContact O-CH2 3.43Å; L59-W80 HydrophobicContact CB-CE3 4.15Å; L59-W80 HydrophobicContact CB-CZ3 4.32Å; L59-W80 HydrophobicContact CD2-CB 3.95Å; L59-W80 HydrophobicContact CD2-CD2 3.72Å; L59-W80 HydrophobicContact CD2-CE3 3.53Å; L59-W80 HydrophobicContact CD2-CG 3.92Å; L59-W80 HydrophobicContact CD2-CZ3 4.26Å; L59-W80 HydrophobicContact CG-CE3 4.36Å; W61-W80 HydrophobicContact CB-CE3 4.04Å; W61-W80 HydrophobicContact CB-CH2 3.93Å; W61-W80 HydrophobicContact CB-CZ2 4.39Å; W61-W80 HydrophobicContact CB-CZ3 3.74Å; W61-W80 HydrophobicContact CD2-CD2 4.33Å; W61-W80 HydrophobicContact CD2-CZ2 4.23Å; W61-W80 HydrophobicContact CE3-CB 4.32Å; W61-W80 AromaticContact CE3-CD1 3.51Å; W61-W80 AromaticContact CE3-CD2 3.36Å; W61-W80 HydrophobicContact CE3-CD2 3.36Å; W61-W80 AromaticContact CE3-CE2 3.28Å; W61-W80 HydrophobicContact CE3-CE3 4.02Å; W61-W80 AromaticContact CE3-CG 3.5Å; W61-W80 HydrophobicContact CE3-CG 3.5Å; W61-W80 HydrophobicContact CE3-CH2 4.49Å; W61-W80 AromaticContact CE3-CZ2 3.88Å; W61-W80 HydrophobicContact CE3-CZ2 3.88Å; W61-W80 AromaticContact CE3-NE1 3.34Å; W61-W80 VanDerWaalsContact CE3-NE1 3.34Å; W61-W80 HydrophobicContact CZ3-CB 4.44Å; W61-W80 AromaticContact CZ3-CD1 3.2Å; W61-W80 AromaticContact CZ3-CD2 3.95Å; W61-W80 HydrophobicContact CZ3-CD2 3.95Å; W61-W80 AromaticContact CZ3-CE2 3.7Å; W61-W80 AromaticContact CZ3-CG 3.64Å; W61-W80 HydrophobicContact CZ3-CG 3.64Å; W61-W80 AromaticContact CZ3-NE1 3.19Å
81S69.7Low60.1Low45 Ų4587.3 Ų87.332%0.31549%0.494SS..EExtended strand (participates in β ladder)trans-118.3149.9166.8106.40000109.1V60 H62V60-S81 PolarHBondContact N-O 3.46Å; V60-S81 PolarHBondContact O-N 2.77Å; H62-S81 PolarHBondContact CD2-OG 3.1Å; H62-S81 PolarHBondContact NE2-OG 3.43Å
82M68Low60.3Low71 Ų7188.2 Ų88.235%0.3550%0.503SS..EExtended strand (participates in β ladder)trans-93.9118.1169.8-164.5169.8-93.900107.3N56 N58 L59 G84 P87N56-M82 WeakPolarHBondContact ND2-CE 3.19Å; N58-M82 HydrophobicContact CB-CE 4.33Å; N58-M82 HydrophobicContact CB-CG 3.65Å; N58-M82 HydrophobicContact CB-SD 4.26Å; N58-M82 CarbonylContact O-C 3.46Å; N58-M82 WeakPolarHBondContact O-CA 3.39Å; L59-M82 HydrophobicContact CD1-CE 3.7Å; M82-G84 PolarHBondContact O-N 3.34Å; M82-G84 VanDerWaalsContact O-O 3.07Å; M82-P87 HydrophobicContact SD-CG 4.4Å
83E62.9Low60.6Low141 Ų14189.5 Ų89.566%0.65950%0.497SS*.SBendtrans-76.6114.7177-164.6174.7-155.200108.6N58 V60N58-E83 PolarHBondContact O-N 2.93Å; V60-E83 HydrophobicContact CG2-CB 4.14Å
84G57.1Low60.6Low54 Ų5490.1 Ų90.156%0.55750%0.5SS*.SBendtrans123154.2-163.300000109.1M82 C86M82-G84 PolarHBondContact O-N 3.34Å; M82-G84 VanDerWaalsContact O-O 3.07Å; G84-C86 PolarHBondContact O-N 2.92Å
85E49.6Very low60.8Low190 Ų19093 Ų9389%0.88850%0.504SS*.SBendtrans-34119.7-178.5-72.1174.2159.100110.1
86C47.6Very low60.9Low102 Ų10294.6 Ų94.669%0.68952%0.52SS*.  trans-36.3120.1168.4-173.90000104.8G84 T88G84-C86 PolarHBondContact O-N 2.92Å; C86-T88 PolarHBondContact O-N 2.86Å
87P51.3Low60.9Low55 Ų5594.3 Ų94.336%0.35753%0.527SS..  trans-64.198.1171.127.6-29.3000101.6M82 N89M82-P87 HydrophobicContact SD-CG 4.4Å; P87-N89 WeakPolarHBondContact CB-OD1 3.3Å; P87-N89 PolarHBondContact O-N 3.05Å
88T46.5Very low61Low119 Ų11996.3 Ų96.373%0.7354%0.535SS*.  trans-52.282.4131.957.60000101.3C86 S90C86-T88 PolarHBondContact O-N 2.86Å; T88-S90 PolarHBondContact O-N 3.2Å
89N49.4Very low60.9Low89 Ų8995.5 Ų95.548%0.47654%0.537SS..  trans-56.888.7160.2-76.1-39.200099.3P87 L91 E93 L94P87-N89 WeakPolarHBondContact CB-OD1 3.3Å; P87-N89 PolarHBondContact O-N 3.05Å; N89-L91 PolarHBondContact O-N 3.12Å; N89-E93 PolarHBondContact OD1-OE2 3.04Å; N89-L94 HydrophobicContact CB-CD1 4.47Å; N89-L94 HydrophobicContact CB-CG 4.31Å
90S52Low60.9Low48 Ų4895 Ų9534%0.33653%0.534SS..  trans-54.5140177.961.90000102.6T88 S92 E93T88-S90 PolarHBondContact O-N 3.2Å; S90-S92 VanDerWaalsContact CB-OG 3.25Å; S90-S92 WeakPolarHBondContact CB-OG 3.42Å; S90-S92 CarbonylContact O-C 3.55Å; S90-S92 PolarHBondContact O-N 2.92Å; S90-S92 PolarHBondContact OG-OG 3.25Å; S90-E93 PolarHBondContact O-N 3.34Å
91L55.3Low60.6Low134 Ų13495 Ų9570%0.70255%0.547SS*.Hα-helixtrans-44.3-29.8179.9-91.7158.2000112.1N89 L94 N95N89-L91 PolarHBondContact O-N 3.12Å; L91-L94 PolarHBondContact O-N 3.36Å; L91-N95 PolarHBondContact O-N 3.07Å; L91-N95 PolarHBondContact O-ND2 2.72Å; L91-N95 PolarHBondContact O-OD1 2.71Å
92S59Low60.8Low81 Ų81100 Ų10057%0.56657%0.57SS**Hα-helixtrans-51.4-43.5167.710.50000117S90 N95S90-S92 VanDerWaalsContact CB-OG 3.25Å; S90-S92 WeakPolarHBondContact CB-OG 3.42Å; S90-S92 CarbonylContact O-C 3.55Å; S90-S92 PolarHBondContact O-N 2.92Å; S90-S92 PolarHBondContact OG-OG 3.25Å; S92-N95 WeakPolarHBondContact O-CB 3.25Å; S92-N95 PolarHBondContact O-N 3.47Å
93E60.7Low61.3Low100 Ų100101.5 Ų101.547%0.46758%0.576SS.*Hα-helixtrans-73-37.7177.1-71.7-178.3169.200111.3N89 S90 N95 S96N89-E93 PolarHBondContact OD1-OE2 3.04Å; S90-E93 PolarHBondContact O-N 3.34Å; E93-N95 VanDerWaalsContact C-N 3.3Å; E93-N95 PolarHBondContact O-N 3.44Å; E93-S96 PolarHBondContact O-N 3.18Å; E93-S96 VanDerWaalsContact O-N 3.16Å; E93-S96 PolarHBondContact O-OG 2.75Å
94L62.6Low62Low66 Ų66100.5 Ų100.535%0.34658%0.582SS.*Hα-helixtrans-64.8-34.6172.5-74.2167.7000111.9N89 L91 S96 L97 I98N89-L94 HydrophobicContact CB-CD1 4.47Å; N89-L94 HydrophobicContact CB-CG 4.31Å; L91-L94 PolarHBondContact O-N 3.36Å; L94-S96 PolarHBondContact O-N 3.33Å; L94-L97 PolarHBondContact O-N 3.15Å; L94-I98 HydrophobicContact CB-CD1 4.37Å; L94-I98 WeakPolarHBondContact O-CG1 3.1Å; L94-I98 PolarHBondContact O-N 2.87Å
95N62.7Low63Low109 Ų109104.4 Ų104.458%0.58359%0.586SS**Hα-helixtrans-62.2-21175.2-69.5-20.9000113.1L91 S92 E93L91-N95 PolarHBondContact O-N 3.07Å; L91-N95 PolarHBondContact O-ND2 2.72Å; L91-N95 PolarHBondContact O-OD1 2.71Å; S92-N95 WeakPolarHBondContact O-CB 3.25Å; S92-N95 PolarHBondContact O-N 3.47Å; E93-N95 VanDerWaalsContact C-N 3.3Å; E93-N95 PolarHBondContact O-N 3.44Å
96S67Low64.2Low101 Ų10197.1 Ų97.171%0.70656%0.559SS**Hα-helixtrans-81.7-21.7173.474.20000113.4E93 L94E93-S96 PolarHBondContact O-N 3.18Å; E93-S96 VanDerWaalsContact O-N 3.16Å; E93-S96 PolarHBondContact O-OG 2.75Å; L94-S96 PolarHBondContact O-N 3.33Å
97L67.1Low65.5Low138 Ų138100.6 Ų100.672%0.72357%0.569SS**Hα-helixtrans-93.7-29.7179.2-74.6160.8000112.2L94L94-L97 PolarHBondContact O-N 3.15Å
98I70.1Confident66.8Low112 Ų112100.9 Ų100.957%0.57458%0.582SS**SBendtrans-96.3103.1179.3-57.6171.6000107.6L94 S100L94-I98 HydrophobicContact CB-CD1 4.37Å; L94-I98 WeakPolarHBondContact O-CG1 3.1Å; L94-I98 PolarHBondContact O-N 2.87Å; I98-S100 PolarHBondContact O-N 2.97Å
99I72.1Confident68.4Low85 Ų85100.8 Ų100.844%0.43658%0.584SS.*  trans-62.8128170.3-59.4169.9000107.3E103 E105 A106I99-E103 HydrophobicContact CG2-CB 3.8Å; I99-E103 HydrophobicContact CG2-CG 4.45Å; I99-E105 HydrophobicContact CD1-CB 4.17Å; I99-E105 HydrophobicContact CG2-CB 4.05Å; I99-A106 HydrophobicContact CG2-CB 4.16Å
100S71.5Confident69.7Low49 Ų49101.9 Ų101.934%0.34360%0.595SS.*  trans-62.1138.1174.2165.30000109.2I98 D102 E103I98-S100 PolarHBondContact O-N 2.97Å; S100-D102 PolarHBondContact O-N 3.27Å; S100-E103 WeakPolarHBondContact O-CB 3.28Å; S100-E103 PolarHBondContact O-N 2.81Å
101P70Confident71.2Confident107 Ų107104.6 Ų104.670%0.69561%0.605SS**THydrogen-bonded Turntrans-60.6-16.6-176.825.5-35.3000113.6
102D73.8Confident72.5Confident149 Ų149107.1 Ų107.180%0.79761%0.613SS**THydrogen-bonded Turntrans-91.7-6.5178.1-60-44.3000113.8S100S100-D102 PolarHBondContact O-N 3.27Å
103E79.3Confident73.7Confident102 Ų102109.2 Ų109.248%0.47761%0.614SS.*SBendtrans-77.1146.2-179-69.1-70.1157.700111I99 S100 E105 A106I99-E103 HydrophobicContact CG2-CB 3.8Å; I99-E103 HydrophobicContact CG2-CG 4.45Å; S100-E103 WeakPolarHBondContact O-CB 3.28Å; S100-E103 PolarHBondContact O-N 2.81Å; E103-E105 PolarHBondContact O-N 2.97Å; E103-A106 WeakPolarHBondContact O-CB 3.03Å; E103-A106 PolarHBondContact O-N 3.05Å
104P76.5Confident74.9Confident121 Ų121109.4 Ų109.479%0.78662%0.618SS**THydrogen-bonded Turntrans-64-13.6-179.628.5-35.7000113.4
105E78.8Confident75.9Confident136 Ų136110.2 Ų110.264%0.63662%0.622SS**THydrogen-bonded Turntrans-81.3-17.8175.9-63173.9178.400112.6I99 E103 L107I99-E105 HydrophobicContact CD1-CB 4.17Å; I99-E105 HydrophobicContact CG2-CB 4.05Å; E103-E105 PolarHBondContact O-N 2.97Å; E105-L107 PolarHBondContact O-N 3.4Å
106A74.4Confident76.8Confident37 Ų37110 Ų11031%0.30662%0.621SS.*  trans-70.1117.9175.800000109.9I99 E103I99-A106 HydrophobicContact CG2-CB 4.16Å; E103-A106 WeakPolarHBondContact O-CB 3.03Å; E103-A106 PolarHBondContact O-N 3.05Å
107L75.6Confident77.7Confident175 Ų175108.8 Ų108.892%0.91660%0.604SS**  trans-91.3125.6-179.1-64.9178.1000110.8E105E105-L107 PolarHBondContact O-N 3.4Å
108G78.6Confident78.6Confident61 Ų61106.2 Ų106.263%0.62959%0.592SS**SBendtrans112.6164.5173.700000113.2
109P79.5Confident79.4Confident117 Ų117107 Ų10776%0.7660%0.596SS**SBendtrans-65.6155.616930.6-33.8000110.1I111P109-I111 PolarHBondContact O-N 2.89Å
110P77.9Confident80Confident111 Ų111112.5 Ų112.572%0.72162%0.617SS**  trans-54136.2171.5-23.633.3000111.4E112P110-E112 PolarHBondContact O-N 2.97Å
111I82.8Confident80.6Confident105 Ų105112.7 Ų112.754%0.53862%0.617SS.*  trans-82.6109.4173.9-59.8169.7000107.8P109 L114 E117P109-I111 PolarHBondContact O-N 2.89Å; I111-L114 HydrophobicContact CG2-CD2 4.48Å; I111-E117 HydrophobicContact CD1-CG 4.42Å; I111-E117 HydrophobicContact CG2-CG 3.91Å; I111-E117 WeakPolarHBondContact CG2-OE1 3.41Å
112E82.6Confident81.5Confident187 Ų187110.4 Ų110.487%0.87460%0.604SS**  trans-86.6-27.3179.9-63.2-173.6173.300112.9P110P110-E112 PolarHBondContact O-N 2.97Å
113E83.7Confident82.2Confident126 Ų126106.2 Ų106.259%0.58958%0.581SS**  trans-129.5119.1-176.9-66.5-177.7177.100110.7
114L85.4Confident82.6Confident103 Ų103107.7 Ų107.754%0.53959%0.588SS.*G310 helixtrans-80.9-14.5178.9-74.7169.2000113.6I111 N116 E117 V126 L130I111-L114 HydrophobicContact CG2-CD2 4.48Å; L114-N116 PolarHBondContact O-N 2.92Å; L114-N116 VanDerWaalsContact O-N 3.12Å; L114-E117 HydrophobicContact CD2-CG 4.33Å; L114-E117 PolarHBondContact O-N 3.44Å; L114-V126 VanDerWaalsContact O-CG1 3.3Å; L114-V126 WeakPolarHBondContact O-CG1 3.08Å; L114-L130 HydrophobicContact CB-CD1 4.09Å; L114-L130 HydrophobicContact CB-CD2 4.17Å; L114-L130 HydrophobicContact CD1-CD2 4.15Å
115D84.4Confident83.2Confident83 Ų83106.2 Ų106.244%0.44457%0.572SS.*G310 helixtrans-61.9-22.9-174.2-70.7-46.3000113.4L130D115-L130 WeakPolarHBondContact OD1-CD1 3.3Å
116N82.8Confident83.6Confident104 Ų104100.6 Ų100.656%0.55655%0.548SS*.G310 helixtrans-105.24.4-175.7-57-48.1000113.3L114 D118L114-N116 PolarHBondContact O-N 2.92Å; L114-N116 VanDerWaalsContact O-N 3.12Å; N116-D118 VanDerWaalsContact C-N 3.31Å; N116-D118 PolarHBondContact O-N 2.93Å
117E84.4Confident84.2Confident76 Ų76102.8 Ų102.836%0.35555%0.552SS.*  trans-85.167.5-178.1-67.7-61.1149.700111.8I111 L114I111-E117 HydrophobicContact CD1-CG 4.42Å; I111-E117 HydrophobicContact CG2-CG 3.91Å; I111-E117 WeakPolarHBondContact CG2-OE1 3.41Å; L114-E117 HydrophobicContact CD2-CG 4.33Å; L114-E117 PolarHBondContact O-N 3.44Å
118D87.3Confident84.8Confident85 Ų85100.6 Ų100.646%0.45554%0.536SS..  trans-103.35.4-173.773.8-14.6000114.9N116 F120 C121 I123N116-D118 VanDerWaalsContact C-N 3.31Å; N116-D118 PolarHBondContact O-N 2.93Å; D118-F120 VanDerWaalsContact C-N 3.3Å; D118-F120 PolarHBondContact O-N 2.86Å; D118-C121 CarbonylContact C-O 3.59Å; D118-C121 WeakPolarHBondContact CA-O 3.42Å; D118-I123 HydrophobicContact CB-CB 4.13Å
119I86.7Confident85.3Confident128 Ų128101.5 Ų101.566%0.65653%0.53SS*.SBendtrans-61.9-38.7-176.4-60.9176.4000111.7
120F85.1Confident85.7Confident200 Ų20097.8 Ų97.888%0.87750%0.503SS*.SBendtrans-116-4.9-176.7-57.9-73.3000113.6D118D118-F120 VanDerWaalsContact C-N 3.3Å; D118-F120 PolarHBondContact O-N 2.86Å
121C83.1Confident86.2Confident53 Ų5397.8 Ų97.836%0.35850%0.497SS..SBendtrans-138.4140-176.6-169.40000109.5D118 I123 V126D118-C121 CarbonylContact C-O 3.59Å; D118-C121 WeakPolarHBondContact CA-O 3.42Å; C121-I123 PolarHBondContact O-N 3.18Å; C121-V126 HydrophobicContact CB-CG2 3.77Å
122S87.9Confident86.4Confident59 Ų59101.9 Ų101.941%0.41351%0.507SS..  trans-57.8132.6173.7174.10000110.1H124 L125 V126S122-H124 PolarHBondContact O-N 2.95Å; S122-H124 PolarHBondContact OG-N 2.99Å; S122-L125 WeakPolarHBondContact O-CA 3.39Å; S122-L125 WeakPolarHBondContact O-CB 3.2Å; S122-L125 PolarHBondContact O-N 2.81Å; S122-V126 PolarHBondContact O-N 3.48Å
123I89.4Confident86.4Confident62 Ų62100.6 Ų100.632%0.31850%0.499SS..Hα-helixtrans-51.7-33.1175.8-166.1164000112.3D118 C121 V126 Q127D118-I123 HydrophobicContact CB-CB 4.13Å; C121-I123 PolarHBondContact O-N 3.18Å; I123-V126 PolarHBondContact O-N 3.36Å; I123-Q127 WeakPolarHBondContact O-CB 3.25Å; I123-Q127 VanDerWaalsContact O-CG 3.27Å; I123-Q127 WeakPolarHBondContact O-CG 3.41Å; I123-Q127 PolarHBondContact O-N 3.34Å
124H87.6Confident86.1Confident133 Ų133100.7 Ų100.762%0.61651%0.508SS*.Hα-helixtrans-65-40.9175.7-66.2-56.2000112.8S122 E128S122-H124 PolarHBondContact O-N 2.95Å; S122-H124 PolarHBondContact OG-N 2.99Å; H124-E128 VanDerWaalsContact O-CB 3.25Å; H124-E128 WeakPolarHBondContact O-CB 3.27Å; H124-E128 PolarHBondContact O-N 3.28Å
125L88.5Confident84.5Confident89 Ų89109.2 Ų109.247%0.46653%0.533SS..Hα-helixtrans-72.3-38.6178.1-70.5174.4000111.2S122 E128 V129S122-L125 WeakPolarHBondContact O-CA 3.39Å; S122-L125 WeakPolarHBondContact O-CB 3.2Å; S122-L125 PolarHBondContact O-N 2.81Å; L125-E128 PolarHBondContact O-N 3.41Å; L125-V129 WeakPolarHBondContact O-CB 3.21Å; L125-V129 VanDerWaalsContact O-CG2 3.28Å; L125-V129 WeakPolarHBondContact O-CG2 3.01Å; L125-V129 PolarHBondContact O-N 3.31Å
126V87Confident84.5Confident19 Ų19110.5 Ų110.512%0.11554%0.537CS..Hα-helixtrans-57.9-52.1173.8175.90000109.7L114 C121 S122 I123 E128 V129 L130L114-V126 VanDerWaalsContact O-CG1 3.3Å; L114-V126 WeakPolarHBondContact O-CG1 3.08Å; C121-V126 HydrophobicContact CB-CG2 3.77Å; S122-V126 PolarHBondContact O-N 3.48Å; I123-V126 PolarHBondContact O-N 3.36Å; V126-E128 PolarHBondContact O-N 3.33Å; V126-V129 PolarHBondContact O-N 3.16Å; V126-L130 HydrophobicContact CG1-CD1 3.77Å; V126-L130 HydrophobicContact CG1-CG 4.41Å; V126-L130 WeakPolarHBondContact O-CB 3.27Å; V126-L130 VanDerWaalsContact O-CG 3.25Å; V126-L130 WeakPolarHBondContact O-CG 3.49Å; V126-L130 PolarHBondContact O-N 3.24Å
127Q88Confident84.5Confident83 Ų83110.8 Ų110.839%0.38854%0.536SS..Hα-helixtrans-62.4-40.7177.7-72.4175.5-9.300112.6I123 L130 N131I123-Q127 WeakPolarHBondContact O-CB 3.25Å; I123-Q127 VanDerWaalsContact O-CG 3.27Å; I123-Q127 WeakPolarHBondContact O-CG 3.41Å; I123-Q127 PolarHBondContact O-N 3.34Å; Q127-L130 PolarHBondContact O-N 3.28Å; Q127-N131 WeakPolarHBondContact O-CB 3.19Å; Q127-N131 PolarHBondContact O-N 3.24Å; Q127-N131 PolarHBondContact O-ND2 3.08Å
128E88.8Confident84.5Confident128 Ų128112.8 Ų112.860%0.59855%0.546SS*.Hα-helixtrans-61.7-46.3177.7-175.1174-177.600111.5H124 L125 V126 N131 Y132H124-E128 VanDerWaalsContact O-CB 3.25Å; H124-E128 WeakPolarHBondContact O-CB 3.27Å; H124-E128 PolarHBondContact O-N 3.28Å; L125-E128 PolarHBondContact O-N 3.41Å; V126-E128 PolarHBondContact O-N 3.33Å; E128-N131 PolarHBondContact O-N 3.45Å; E128-Y132 WeakPolarHBondContact O-CB 3.27Å; E128-Y132 PolarHBondContact O-N 3Å
129V87.8Confident84.4Confident81 Ų81114.4 Ų114.449%0.49155%0.551SS.*Hα-helixtrans-66.6-42.2178.3172.10000111.5L125 V126 Y132 K133L125-V129 WeakPolarHBondContact O-CB 3.21Å; L125-V129 VanDerWaalsContact O-CG2 3.28Å; L125-V129 WeakPolarHBondContact O-CG2 3.01Å; L125-V129 PolarHBondContact O-N 3.31Å; V126-V129 PolarHBondContact O-N 3.16Å; V129-Y132 PolarHBondContact O-N 3.15Å; V129-K133 PolarHBondContact O-N 2.84Å
130L88.5Confident84.2Confident39 Ų39113.6 Ų113.620%0.20455%0.545CS..Hα-helixtrans-63.9-45176.5-70174.2000111L114 D115 V126 Q127 Y132 K133 V134L114-L130 HydrophobicContact CB-CD1 4.09Å; L114-L130 HydrophobicContact CB-CD2 4.17Å; L114-L130 HydrophobicContact CD1-CD2 4.15Å; D115-L130 WeakPolarHBondContact OD1-CD1 3.3Å; V126-L130 HydrophobicContact CG1-CD1 3.77Å; V126-L130 HydrophobicContact CG1-CG 4.41Å; V126-L130 WeakPolarHBondContact O-CB 3.27Å; V126-L130 VanDerWaalsContact O-CG 3.25Å; V126-L130 WeakPolarHBondContact O-CG 3.49Å; V126-L130 PolarHBondContact O-N 3.24Å; Q127-L130 PolarHBondContact O-N 3.28Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 3.21Å; L130-K133 PolarHBondContact O-N 3.41Å; L130-V134 VanDerWaalsContact O-CG2 3.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.34Å; L130-V134 PolarHBondContact O-N 3.05Å
131N87.7Confident84.2Confident111 Ų111107.8 Ų107.859%0.59452%0.523SS*.Hα-helixtrans-62.1-35.5175.5-75.9-38.4000112.8Q127 E128Q127-N131 WeakPolarHBondContact O-CB 3.19Å; Q127-N131 PolarHBondContact O-N 3.24Å; Q127-N131 PolarHBondContact O-ND2 3.08Å; E128-N131 PolarHBondContact O-N 3.45Å
132Y87.5Confident84.3Confident190 Ų190111.7 Ų111.775%0.74553%0.534SS*.Hα-helixtrans-68-39.1176-171.3-94000111.9E128 V129 L130E128-Y132 WeakPolarHBondContact O-CB 3.27Å; E128-Y132 PolarHBondContact O-N 3Å; V129-Y132 PolarHBondContact O-N 3.15Å; L130-Y132 VanDerWaalsContact C-N 3.29Å; L130-Y132 PolarHBondContact O-N 3.21Å
133K82.7Confident84Confident160 Ų160115.8 Ų115.870%0.69654%0.544SS*.Hα-helixtrans-74.7-26.4179.7-76.8-176.9176.6-1800114.5V129 L130 R135V129-K133 PolarHBondContact O-N 2.84Å; L130-K133 PolarHBondContact O-N 3.41Å; K133-R135 VanDerWaalsContact C-N 3.25Å
134V76.9Confident83.5Confident128 Ų128120.3 Ų120.378%0.77656%0.563SS**THydrogen-bonded Turntrans-77.7-12.3179.7174.20000112L130L130-V134 VanDerWaalsContact O-CG2 3.28Å; L130-V134 WeakPolarHBondContact O-CG2 3.34Å; L130-V134 PolarHBondContact O-N 3.05Å
135R51.3Low83.2Confident282 Ų282119.1 Ų119.1100%1.06456%0.558SS**  trans-98.60171.6-82.2-174.5173.4177.70.4112.3K133K133-R135 VanDerWaalsContact C-N 3.25Å

Retrieved 135 of 135 residues in 99.5 ms (Link to these results)