G4VRH7_SCHMA Loading...

Putative mitochondrial 39S ribosomal protein L27 (L27mt) (MRP-L27)

AlphaFold DB , UniProt , Accession G4VRH7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 143 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M44.9Very low48Very low250 Ų250158.3 Ų158.3100%1.23290%0.903SS**  0103.70-67.9-134.4-178.400108.2
2S43.8Very low48.7Very low126 Ų126153.1 Ų153.188%0.88189%0.894SS**  trans-167.2144.1158.170.30000109.5
3L46.5Very low49.3Very low172 Ų172155.9 Ų155.990%0.90189%0.893SS**  trans-86.6160.1-160.5-71.6147.5000114.1
4S44.7Very low50Low99 Ų99155.6 Ų155.669%0.69289%0.886SS**  trans-57.4148.5173.452.10000115.7
5N47.4Very low50.5Low177 Ų177154.1 Ų154.195%0.94788%0.881SS**  trans-130.6116.8147.5-92.1-21.6000108.5
6G46.3Very low51Low80 Ų80156.3 Ų156.383%0.82588%0.877SS**  trans-100.8144.3174.600000111.1
7S53.1Low51.2Low126 Ų126157.9 Ų157.988%0.88187%0.873SS**  trans-126.1110165.358.20000108.9
8L47.7Very low51.7Low173 Ų173162.6 Ų162.691%0.90688%0.875SS**  trans-90.2117.3172.5-83159.2000109.4
9L48.1Very low52.5Low177 Ų177162.2 Ų162.293%0.92787%0.867SS**  trans-136.298.4154.7-82175000110.5
10R48.1Very low53Low244 Ų244160 Ų16092%0.92186%0.863SS**  trans4.1120.8160.2-66.5178.1173-150.1-2.2119.1
11S57.4Low53.4Low117 Ų117161.8 Ų161.882%0.81886%0.863SS**  trans-79.7138.1161.748.80000111.9
12A55.9Low54.2Low96 Ų96161.2 Ų161.279%0.79385%0.847SS**  trans-75.1131.7168.600000110L14A12-L14 PolarHBondContact O-N 3.37Å
13Q56.7Low54.7Low190 Ų190161 Ų16189%0.88884%0.844SS**  trans-71.7113.7177.7-73.3174.4-26.300110.6V15Q13-V15 PolarHBondContact O-N 3.3Å
14L59.5Low55.6Low152 Ų152157.1 Ų157.180%0.79684%0.837SS**  trans-72.1111.5166.3-87.2159.7000109.4A12 F16A12-L14 PolarHBondContact O-N 3.37Å; L14-F16 PolarHBondContact O-N 3.22Å
15V57.5Low56.5Low133 Ų133155.9 Ų155.981%0.80684%0.84SS**  trans-76.5106.3169.9-176.40000108.2Q13 F17Q13-V15 PolarHBondContact O-N 3.3Å; V15-F17 PolarHBondContact O-N 3.29Å
16F58.4Low57.6Low188 Ų188154 Ų15483%0.82583%0.834SS**  trans-74.7103.9173.8-89.7-87.7000110.5L14 R18L14-F16 PolarHBondContact O-N 3.22Å; F16-R18 PolarHBondContact O-N 3.27Å
17F55.2Low58.8Low184 Ų184159.2 Ų159.281%0.80783%0.834SS**  trans-77.5100.6169.8-148.7-90.5000109.2V15 Q19V15-F17 PolarHBondContact O-N 3.29Å; F17-Q19 PolarHBondContact O-N 3.31Å
18R59.3Low59.9Low242 Ų242162.4 Ų162.491%0.91383%0.832SS**  trans-78.4104.6172.1-110.4-172.6170.5-166.5-1.6109.1F16F16-R18 PolarHBondContact O-N 3.27Å
19Q66.3Low61.3Low155 Ų155163.9 Ų163.972%0.72483%0.831SS**  trans-64.2134.9168.6-82.7-176.6-1900110.3F17 F21F17-Q19 PolarHBondContact O-N 3.31Å; Q19-F21 PolarHBondContact O-N 3.23Å
20P62.4Low62.6Low119 Ų119162.3 Ų162.377%0.77382%0.817SS**  trans-69.9115.2173.727.1-31.2000109.5R22P20-R22 PolarHBondContact O-N 3.14Å; P20-R22 VanDerWaalsContact O-N 3.15Å
21F62.2Low64Low197 Ų197154.6 Ų154.686%0.86479%0.794SS**  trans-67.2110.1169.8-82.5-92.5000109.1Q19 C23Q19-F21 PolarHBondContact O-N 3.23Å; F21-C23 PolarHBondContact O-N 3.15Å; F21-C23 VanDerWaalsContact O-N 3.14Å
22R61.5Low65.1Low239 Ų239153.5 Ų153.590%0.90277%0.772SS**  trans-70.8102161.9-69-173.2178.6-156.9-0.1107.1P20 A24P20-R22 PolarHBondContact O-N 3.14Å; P20-R22 VanDerWaalsContact O-N 3.15Å; R22-A24 PolarHBondContact O-N 2.91Å
23C55.6Low66.3Low122 Ų122153 Ų15382%0.82477%0.769SS**  trans-64.890.1166.5-64.30000108.2F21 G25F21-C23 PolarHBondContact O-N 3.15Å; F21-C23 VanDerWaalsContact O-N 3.14Å; C23-G25 VanDerWaalsContact C-N 3.26Å; C23-G25 PolarHBondContact O-N 2.83Å
24A64.3Low67.5Low90 Ų90151.2 Ų151.274%0.74476%0.76SS**  trans-65.892.4164.600000107R22 V26R22-A24 PolarHBondContact O-N 2.91Å; A24-V26 PolarHBondContact O-N 2.94Å
25G63.6Low68.4Low73 Ų73146.1 Ų146.175%0.75374%0.736SS**  trans-57.9107.1172.400000108.8C23 K27C23-G25 VanDerWaalsContact C-N 3.26Å; C23-G25 PolarHBondContact O-N 2.83Å; G25-K27 PolarHBondContact O-N 3Å
26V70.8Confident69.5Low136 Ų136144.4 Ų144.482%0.82473%0.727SS**  trans-62.8106.6175.3179.50000107.2A24 K28A24-V26 PolarHBondContact O-N 2.94Å; V26-K28 PolarHBondContact O-N 2.97Å
27K71.7Confident70.7Confident190 Ų190140.7 Ų140.783%0.82672%0.724SS**  trans-61.9108.9176.1-171.4174.1-174.71730108.1G25 K29G25-K27 PolarHBondContact O-N 3Å; K27-K29 PolarHBondContact O-N 3.41Å
28K75.9Confident71.9Confident194 Ų194140.6 Ų140.684%0.84372%0.719SS**  trans-54134.9176.8-68.3-173.4178.4-178.40109.5V26 K30V26-K28 PolarHBondContact O-N 2.97Å; K28-K30 PolarHBondContact O-N 3.03Å
29K77.3Confident73.1Confident203 Ų203135.5 Ų135.588%0.88370%0.7SS**  trans-54.3135172.3-164.6175.9-176.2179.20107.7K27 N31K27-K29 PolarHBondContact O-N 3.41Å; K29-N31 PolarHBondContact O-N 3.24Å
30K74.4Confident73.8Confident144 Ų144138.7 Ų138.763%0.62671%0.706SS**  trans-57.3113.7-177.9-67.4176179.5177.30109K28 Y32K28-K30 PolarHBondContact O-N 3.03Å; K30-Y32 HydrophobicContact CB-CE1 4.26Å; K30-Y32 HydrophobicContact CB-CE2 4.04Å; K30-Y32 HydrophobicContact CD-CE1 4.24Å; K30-Y32 WeakPolarHBondContact CD-OH 3.26Å; K30-Y32 PolarHBondContact O-N 3.49Å
31N78.3Confident74.8Confident82 Ų82136.9 Ų136.944%0.43969%0.694SS.*  trans-84.197.4171.5-169.9-1.1000108.2K29 A33 E34K29-N31 PolarHBondContact O-N 3.24Å; N31-A33 PolarHBondContact O-N 2.95Å; N31-A33 VanDerWaalsContact OD1-CB 3.26Å; N31-A33 WeakPolarHBondContact OD1-CB 3.22Å; N31-A33 PolarHBondContact OD1-N 3.01Å; N31-E34 PolarHBondContact ND2-OE1 3.4Å
32Y80.2Confident75.7Confident94 Ų94132.9 Ų132.937%0.36969%0.691SS.*THydrogen-bonded Turntrans-71.8-11.2179.2-65-72.1000113K30 T35 Y39K30-Y32 HydrophobicContact CB-CE1 4.26Å; K30-Y32 HydrophobicContact CB-CE2 4.04Å; K30-Y32 HydrophobicContact CD-CE1 4.24Å; K30-Y32 WeakPolarHBondContact CD-OH 3.26Å; K30-Y32 PolarHBondContact O-N 3.49Å; Y32-T35 CarbonylContact O-C 3.56Å; Y32-Y39 HydrophobicContact CD1-CD2 4.17Å; Y32-Y39 HydrophobicContact CD2-CD2 4.21Å; Y32-Y39 HydrophobicContact CE1-CD2 4.48Å; Y32-Y39 HydrophobicContact CE2-CD2 4.5Å; Y32-Y39 HydrophobicContact CG-CD2 4.03Å
33A81.8Confident76.6Confident86 Ų86127.7 Ų127.771%0.71169%0.685SS**THydrogen-bonded Turntrans-67.2-36.6175.900000112.3N31N31-A33 PolarHBondContact O-N 2.95Å; N31-A33 VanDerWaalsContact OD1-CB 3.26Å; N31-A33 WeakPolarHBondContact OD1-CB 3.22Å; N31-A33 PolarHBondContact OD1-N 3.01Å
34E80.4Confident77.8Confident152 Ų152129.3 Ų129.371%0.7169%0.685SS**THydrogen-bonded Turntrans-80-27.2-179.9-70.2167.9-144.200112.7N31N31-E34 PolarHBondContact ND2-OE1 3.4Å
35T79.9Confident78.6Confident46 Ų46130.5 Ų130.528%0.28268%0.683SS.*  trans-133.975.8-179.358.50000110.9Y32 S37 R38Y32-T35 CarbonylContact O-C 3.56Å; T35-S37 PolarHBondContact O-N 2.87Å; T35-R38 PolarHBondContact O-N 3.34Å; T35-R38 VanDerWaalsContact O-N 3.08Å
36P80.3Confident79.1Confident96 Ų96135.7 Ų135.762%0.62368%0.684SS**G310 helixtrans-61.9-30.5-177.423.6-33.6000112.3R38 Y39P36-R38 PolarHBondContact O-N 3.17Å; P36-R38 VanDerWaalsContact O-N 3.14Å; P36-Y39 WeakPolarHBondContact O-CB 3.12Å; P36-Y39 PolarHBondContact O-N 3.28Å
37S82.7Confident79.2Confident110 Ų110133.1 Ų133.177%0.76967%0.669SS**G310 helixtrans-62.5-18.9176.4590000114.6T35T35-S37 PolarHBondContact O-N 2.87Å
38R80.6Confident79.7Confident183 Ų183131.2 Ų131.269%0.69167%0.667SS**G310 helixtrans-87.5-12.3175.5-68.5-173.9177.7172.4-1.2113.1T35 P36 R40T35-R38 PolarHBondContact O-N 3.34Å; T35-R38 VanDerWaalsContact O-N 3.08Å; P36-R38 PolarHBondContact O-N 3.17Å; P36-R38 VanDerWaalsContact O-N 3.14Å; R38-R40 PolarHBondContact O-N 3.01Å
39Y84.1Confident80.4Confident135 Ų135128.1 Ų128.153%0.52965%0.65SS.*  trans-74.2115.8174.9-178-108000109.1Y32 P36 P41Y32-Y39 HydrophobicContact CD1-CD2 4.17Å; Y32-Y39 HydrophobicContact CD2-CD2 4.21Å; Y32-Y39 HydrophobicContact CE1-CD2 4.48Å; Y32-Y39 HydrophobicContact CE2-CD2 4.5Å; Y32-Y39 HydrophobicContact CG-CD2 4.03Å; P36-Y39 WeakPolarHBondContact O-CB 3.12Å; P36-Y39 PolarHBondContact O-N 3.28Å; Y39-P41 HydrophobicContact CE1-CB 3.75Å; Y39-P41 HydrophobicContact CE1-CG 4.15Å
40R81.7Confident81.2Confident222 Ų222119.8 Ų119.884%0.83862%0.622SS**  trans-112102.6168.7-67-177-178.8171.3-1.2106.1R38 S42R38-R40 PolarHBondContact O-N 3.01Å; R40-S42 PolarHBondContact O-N 3.1Å
41P82.6Confident82.2Confident80 Ų80117.4 Ų117.452%0.51961%0.611SS.*  trans-56.1144.3175.324.6-31.9000108.4Y39 V43Y39-P41 HydrophobicContact CE1-CB 3.75Å; Y39-P41 HydrophobicContact CE1-CG 4.15Å; P41-V43 PolarHBondContact O-N 2.84Å; P41-V43 VanDerWaalsContact O-N 3.14Å
42S81.7Confident83Confident114 Ų114117.8 Ų117.880%0.79761%0.611SS**  trans-56.6123.6171.150.50000108.2R40 L44R40-S42 PolarHBondContact O-N 3.1Å; S42-L44 PolarHBondContact O-N 3.38Å; S42-L44 VanDerWaalsContact O-N 3.08Å
43V81.7Confident83.7Confident130 Ų130115.5 Ų115.579%0.78860%0.603SS**  trans-62.2115.4172.6178.30000106.8P41 V45P41-V43 PolarHBondContact O-N 2.84Å; P41-V43 VanDerWaalsContact O-N 3.14Å; V43-V45 PolarHBondContact O-N 3.28Å
44L80.5Confident84.4Confident156 Ų156117.2 Ų117.282%0.81760%0.6SS**  trans-6897.5175.2-175.572.9000108S42 K46S42-L44 PolarHBondContact O-N 3.38Å; S42-L44 VanDerWaalsContact O-N 3.08Å; L44-K46 PolarHBondContact O-N 3.44Å
45V79.6Confident85.2Confident115 Ų115114.9 Ų114.970%0.69759%0.592SS**  trans-72119.1168.2-1780000106.5V43 T47V43-V45 PolarHBondContact O-N 3.28Å; V45-T47 PolarHBondContact O-N 3.44Å
46K73.9Confident85.9Confident182 Ų182114.5 Ų114.579%0.79160%0.598SS**  trans-59.1107.5173.7-69.2-177.5178.5-178.90107.9L44 L48L44-K46 PolarHBondContact O-N 3.44Å; K46-L48 PolarHBondContact O-N 2.95Å
47T73.9Confident86.8Confident82 Ų82112.9 Ų112.950%0.50358%0.584SS.*  trans-69.6116.3166.852.90000106.5V45 R49V45-T47 PolarHBondContact O-N 3.44Å; T47-R49 VanDerWaalsContact C-N 3.27Å; T47-R49 PolarHBondContact O-N 3.39Å; T47-R49 VanDerWaalsContact OG1-CZ 3.3Å; T47-R49 PolarHBondContact OG1-NE 3.07Å; T47-R49 PolarHBondContact OG1-NH1 3.36Å
48L82.2Confident87.5Confident149 Ų149112.1 Ų112.178%0.7857%0.565SS**  trans-66.488.9176.9-62.1177000109K46 R67K46-L48 PolarHBondContact O-N 2.95Å; L48-R67 WeakPolarHBondContact O-CD 3.41Å
49R90.5Very high88.3Confident129 Ų129103.4 Ų103.449%0.48753%0.532SS..  trans-104.4158.7178.1-72.9-171.5-174.5129.21.6109.9T47 R67 L69T47-R49 VanDerWaalsContact C-N 3.27Å; T47-R49 PolarHBondContact O-N 3.39Å; T47-R49 VanDerWaalsContact OG1-CZ 3.3Å; T47-R49 PolarHBondContact OG1-NE 3.07Å; T47-R49 PolarHBondContact OG1-NH1 3.36Å; R49-R67 CarbonylContact C-O 3.38Å; R49-R67 WeakPolarHBondContact CA-O 3.34Å; R49-R67 VanDerWaalsContact CB-O 3.26Å; R49-R67 WeakPolarHBondContact CB-O 3.26Å; R49-R67 HydrophobicContact CG-CB 4.36Å; R49-L69 VanDerWaalsContact CZ-CD2 3.41Å; R49-L69 VanDerWaalsContact NH1-CG 3.26Å
50G93.6Very high88.9Confident28 Ų28103.6 Ų103.629%0.28953%0.533SS..EExtended strand (participates in β ladder)trans117.4-170.3-175.100000112.3Q52 R67G50-Q52 PolarHBondContact O-NE2 3.44Å; G50-Q52 VanDerWaalsContact O-NE2 3.16Å; G50-R67 PolarHBondContact N-O 3.48Å; G50-R67 PolarHBondContact O-N 3.02Å
51F95.4Very high89.6Confident94 Ų94100.1 Ų100.141%0.41252%0.524SS..EExtended strand (participates in β ladder)trans-61.6137.3175.2-64.7-79.6000111.2V66 I73 F96 I98 V126F51-V66 HydrophobicContact CD1-CG2 3.49Å; F51-V66 VanDerWaalsContact CD1-CG2 3.49Å; F51-V66 HydrophobicContact CE1-CG2 3.65Å; F51-V66 HydrophobicContact CG-CG2 4.4Å; F51-I73 HydrophobicContact CE1-CD1 3.79Å; F51-I73 HydrophobicContact CE2-CD1 3.78Å; F51-I73 HydrophobicContact CZ-CD1 3.27Å; F51-I73 HydrophobicContact CZ-CG1 4.16Å; F51-F96 AromaticContact CD1-CZ 3.79Å; F51-F96 HydrophobicContact CD1-CZ 3.79Å; F51-F96 HydrophobicContact CE1-CZ 4.12Å; F51-I98 HydrophobicContact CD1-CD1 3.98Å; F51-I98 HydrophobicContact CE1-CD1 3.56Å; F51-I98 HydrophobicContact CE1-CG1 4.14Å; F51-I98 HydrophobicContact CZ-CD1 3.87Å; F51-V126 HydrophobicContact CE1-CG2 3.94Å
52Q95.3Very high90.3Very high91 Ų9198.5 Ų98.543%0.42552%0.522SS..SBendtrans-96.1-15.7173.5-56.8-56.9-67.400112.3G50 I64 L65G50-Q52 PolarHBondContact O-NE2 3.44Å; G50-Q52 VanDerWaalsContact O-NE2 3.16Å; Q52-I64 VanDerWaalsContact CB-O 3.3Å; Q52-I64 WeakPolarHBondContact CB-O 3.45Å; Q52-I64 WeakPolarHBondContact CG-O 3.35Å; Q52-L65 PolarHBondContact N-O 3.33Å
53F96Very high91.1Very high46 Ų4695.5 Ų95.520%0.20250%0.497CS..SBendtrans-132.6151.6-176-61.2-85.2000110D57 V59 D63 I64 L65 F96F53-D57 HydrophobicContact CB-CB 4.12Å; F53-D57 HydrophobicContact CD1-CB 4.19Å; F53-V59 HydrophobicContact CB-CG1 4.34Å; F53-V59 HydrophobicContact CD1-CG1 3.66Å; F53-V59 HydrophobicContact CD2-CG1 3.78Å; F53-V59 HydrophobicContact CE1-CG1 3.79Å; F53-V59 HydrophobicContact CE2-CG1 3.91Å; F53-V59 HydrophobicContact CG-CG1 3.65Å; F53-V59 HydrophobicContact CZ-CG1 3.91Å; F53-D63 HydrophobicContact CE2-CB 4.05Å; F53-D63 HydrophobicContact CZ-CB 3.99Å; F53-I64 WeakPolarHBondContact CE2-O 3.3Å; F53-L65 HydrophobicContact CD2-CD2 4Å; F53-L65 HydrophobicContact CE2-CD2 4.14Å; F53-F96 HydrophobicContact CB-CD1 4.15Å; F53-F96 HydrophobicContact CB-CE1 4.48Å; F53-F96 HydrophobicContact CB-CG 4.2Å
54N96.1Very high91.8Very high121 Ų12191.7 Ų91.765%0.64747%0.472SS*.  trans-89.8159.5170.6-57.2-63.4000110.3G56 D57 F96N54-G56 PolarHBondContact O-N 3.22Å; N54-D57 WeakPolarHBondContact CB-OD2 3.33Å; N54-D57 PolarHBondContact N-OD2 3.1Å; N54-D57 VanDerWaalsContact O-CB 3.29Å; N54-D57 WeakPolarHBondContact O-CB 3.42Å; N54-D57 PolarHBondContact O-N 3.46Å; N54-F96 VanDerWaalsContact O-CD1 3.25Å; N54-F96 WeakPolarHBondContact O-CD1 3.39Å
55D96.5Very high92.6Very high103 Ų10384.3 Ų84.355%0.55143%0.433SS*.THydrogen-bonded Turntrans-56.4125.8176.4-163.542.7000111.1T97 I98D55-T97 WeakPolarHBondContact OD1-CA 3.34Å; D55-I98 PolarHBondContact OD1-N 2.89Å
56G96.1Very high93.4Very high39 Ų3978.9 Ų78.940%0.40240%0.4SS..THydrogen-bonded Turntrans91.2-8.2-176.500000116.1N54 F96N54-G56 PolarHBondContact O-N 3.22Å; G56-F96 WeakPolarHBondContact CA-O 3.3Å; G56-F96 PolarHBondContact N-O 3.5Å
57D97.4Very high94.4Very high62 Ų6274.9 Ų74.933%0.33238%0.38SS..  trans-64.4147.5177-75.2-17.3000111.5F53 N54 F96F53-D57 HydrophobicContact CB-CB 4.12Å; F53-D57 HydrophobicContact CD1-CB 4.19Å; N54-D57 WeakPolarHBondContact CB-OD2 3.33Å; N54-D57 PolarHBondContact N-OD2 3.1Å; N54-D57 VanDerWaalsContact O-CB 3.29Å; N54-D57 WeakPolarHBondContact O-CB 3.42Å; N54-D57 PolarHBondContact O-N 3.46Å; D57-F96 WeakPolarHBondContact O-CB 3.22Å; D57-F96 PolarHBondContact O-N 3.28Å
58Y97.6Very high95.3Very high93 Ų9371.4 Ų71.437%0.36536%0.358SS..EExtended strand (participates in β ladder)trans-81.4130.7174.8-160.5-93000110.7Y60 N93 D131Y58-Y60 HydrophobicContact CD1-CE1 4.27Å; Y58-Y60 HydrophobicContact CD1-CE2 4.22Å; Y58-Y60 HydrophobicContact CE1-CD1 4.22Å; Y58-Y60 AromaticContact CE1-CE1 3.84Å; Y58-Y60 HydrophobicContact CE1-CE1 3.84Å; Y58-N93 HydrophobicContact CE1-CB 4.43Å; Y58-D131 VanDerWaalsContact CE2-OD2 3.26Å; Y58-D131 WeakPolarHBondContact CE2-OD2 3.25Å; Y58-D131 PolarHBondContact OH-OD2 3.32Å
59V97.5Very high95.7Very high0 Ų069.3 Ų69.30%035%0.347CS..EExtended strand (participates in β ladder)trans-123.1148.1180-62.70000110.8F53 L65 A90 N93 G94 F96 V128F53-V59 HydrophobicContact CB-CG1 4.34Å; F53-V59 HydrophobicContact CD1-CG1 3.66Å; F53-V59 HydrophobicContact CD2-CG1 3.78Å; F53-V59 HydrophobicContact CE1-CG1 3.79Å; F53-V59 HydrophobicContact CE2-CG1 3.91Å; F53-V59 HydrophobicContact CG-CG1 3.65Å; F53-V59 HydrophobicContact CZ-CG1 3.91Å; V59-L65 HydrophobicContact CB-CD2 4.1Å; V59-L65 HydrophobicContact CG1-CD2 3.8Å; V59-L65 HydrophobicContact CG2-CD2 4.18Å; V59-A90 HydrophobicContact CG2-CB 4.43Å; V59-N93 WeakPolarHBondContact O-CA 3.4Å; V59-G94 WeakPolarHBondContact CG2-O 3.23Å; V59-G94 PolarHBondContact N-O 3.42Å; V59-G94 PolarHBondContact O-N 2.93Å; V59-F96 HydrophobicContact CG1-CB 3.83Å; V59-F96 HydrophobicContact CG2-CB 4.33Å; V59-V128 HydrophobicContact CG2-CB 4.3Å; V59-V128 HydrophobicContact CG2-CG1 3.58Å; V59-V128 HydrophobicContact CG2-CG2 3.71Å
60Y97.5Very high95.7Very high140 Ų14064.4 Ų64.455%0.54934%0.337SS..  trans-101.5154.3175.6-63.9-84.3000110.8Y58 G62 D63 A90Y58-Y60 HydrophobicContact CD1-CE1 4.27Å; Y58-Y60 HydrophobicContact CD1-CE2 4.22Å; Y58-Y60 HydrophobicContact CE1-CD1 4.22Å; Y58-Y60 AromaticContact CE1-CE1 3.84Å; Y58-Y60 HydrophobicContact CE1-CE1 3.84Å; Y60-G62 PolarHBondContact O-N 3.45Å; Y60-D63 PolarHBondContact N-OD2 3.14Å; Y60-D63 VanDerWaalsContact O-CB 3.31Å; Y60-D63 WeakPolarHBondContact O-CB 3.47Å; Y60-D63 PolarHBondContact O-N 3.08Å; Y60-A90 WeakPolarHBondContact O-CB 3.33Å
61K97.2Very high95.5Very high148 Ų14867.2 Ų67.264%0.64334%0.344SS*.THydrogen-bonded Turntrans-54.5125.4172.6176.9176.3-177.1178.80110.2L91 S92 N93K61-L91 WeakPolarHBondContact CD-O 3.33Å; K61-L91 WeakPolarHBondContact CE-O 3.36Å; K61-L91 WeakPolarHBondContact CG-O 3.15Å; K61-S92 PolarHBondContact N-O 3.26Å; K61-N93 WeakPolarHBondContact CB-OD1 3.45Å; K61-N93 PolarHBondContact N-OD1 3.46Å
62G97.1Very high95.3Very high47 Ų4768.9 Ų68.949%0.48535%0.353SS..THydrogen-bonded Turntrans96.4-7.9-178.500000114.6Y60 A90Y60-G62 PolarHBondContact O-N 3.45Å; G62-A90 PolarHBondContact N-O 3.11Å
63D97.3Very high95.3Very high51 Ų5165.3 Ų65.327%0.27334%0.336SS..  trans-67.2140.7175.3-73.6-21.3000111.5F53 Y60 L65 V89 A90F53-D63 HydrophobicContact CE2-CB 4.05Å; F53-D63 HydrophobicContact CZ-CB 3.99Å; Y60-D63 PolarHBondContact N-OD2 3.14Å; Y60-D63 VanDerWaalsContact O-CB 3.31Å; Y60-D63 WeakPolarHBondContact O-CB 3.47Å; Y60-D63 PolarHBondContact O-N 3.08Å; D63-L65 PolarHBondContact O-N 3.25Å; D63-V89 VanDerWaalsContact O-CA 3.32Å; D63-V89 WeakPolarHBondContact O-CA 3.37Å; D63-A90 PolarHBondContact O-N 3.24Å
64I96.9Very high95.3Very high50 Ų5064.5 Ų64.526%0.25633%0.332SS..EExtended strand (participates in β ladder)trans-81.5111.7173.7-62.2168.7000107.8Q52 F53 R67 N87 L88 V89Q52-I64 VanDerWaalsContact CB-O 3.3Å; Q52-I64 WeakPolarHBondContact CB-O 3.45Å; Q52-I64 WeakPolarHBondContact CG-O 3.35Å; F53-I64 WeakPolarHBondContact CE2-O 3.3Å; I64-R67 HydrophobicContact CG2-CG 3.69Å; I64-N87 HydrophobicContact CG2-CB 4.09Å; I64-L88 CarbonylContact C-O 3.55Å; I64-V89 HydrophobicContact CG1-CG2 4.22Å
65L97.1Very high95.3Very high0 Ų060.8 Ų60.80%031%0.314CS..EExtended strand (participates in β ladder)trans-79.2-45.8-177.3-57.6-178.7000111.7Q52 F53 V59 D63 V79 L88 A90 F96 V126 V128Q52-L65 PolarHBondContact N-O 3.33Å; F53-L65 HydrophobicContact CD2-CD2 4Å; F53-L65 HydrophobicContact CE2-CD2 4.14Å; V59-L65 HydrophobicContact CB-CD2 4.1Å; V59-L65 HydrophobicContact CG1-CD2 3.8Å; V59-L65 HydrophobicContact CG2-CD2 4.18Å; D63-L65 PolarHBondContact O-N 3.25Å; L65-V79 HydrophobicContact CD1-CB 4.48Å; L65-V79 HydrophobicContact CD1-CG1 4.06Å; L65-V79 HydrophobicContact CD1-CG2 3.57Å; L65-L88 HydrophobicContact CB-CB 4.36Å; L65-L88 PolarHBondContact N-O 2.97Å; L65-A90 HydrophobicContact CD1-CB 4.3Å; L65-A90 HydrophobicContact CD2-CB 4.14Å; L65-A90 HydrophobicContact CG-CB 4.31Å; L65-F96 HydrophobicContact CB-CD2 4.37Å; L65-F96 HydrophobicContact CB-CE2 4.02Å; L65-F96 HydrophobicContact CD1-CD2 4.22Å; L65-F96 HydrophobicContact CD1-CE2 4.41Å; L65-F96 HydrophobicContact CD2-CD2 3.91Å; L65-F96 HydrophobicContact CD2-CE2 4.4Å; L65-F96 HydrophobicContact CG-CD2 4.4Å; L65-V126 HydrophobicContact CB-CG1 4.29Å; L65-V126 HydrophobicContact CD1-CG1 3.66Å; L65-V128 HydrophobicContact CD1-CG2 3.69Å; L65-V128 HydrophobicContact CD2-CG2 4.46Å
66V96.7Very high95.4Very high1 Ų156.9 Ų56.91%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-140.1130.4-176.2-174.40000109.5F51 Q68 I73 N87 L88 V126F51-V66 HydrophobicContact CD1-CG2 3.49Å; F51-V66 VanDerWaalsContact CD1-CG2 3.49Å; F51-V66 HydrophobicContact CE1-CG2 3.65Å; F51-V66 HydrophobicContact CG-CG2 4.4Å; V66-Q68 HydrophobicContact CG1-CB 4.18Å; V66-Q68 HydrophobicContact CG1-CG 4.33Å; V66-I73 HydrophobicContact CG1-CD1 3.71Å; V66-I73 HydrophobicContact CG2-CD1 4.41Å; V66-N87 WeakPolarHBondContact O-CA 3.36Å; V66-L88 HydrophobicContact CB-CB 4.15Å; V66-L88 HydrophobicContact CB-CD1 4.12Å; V66-L88 HydrophobicContact CB-CG 4.32Å; V66-L88 HydrophobicContact CG2-CB 4.5Å; V66-L88 HydrophobicContact CG2-CD1 4.1Å; V66-L88 PolarHBondContact O-N 2.98Å; V66-V126 HydrophobicContact CG2-CG2 4.15Å
67R95.6Very high95.4Very high99 Ų9960.7 Ų60.737%0.37431%0.306SS..EExtended strand (participates in β ladder)trans-102.2109.4169.1-68.5177176.8-95.21.7108.9L48 R49 G50 I64 N87L48-R67 WeakPolarHBondContact O-CD 3.41Å; R49-R67 CarbonylContact C-O 3.38Å; R49-R67 WeakPolarHBondContact CA-O 3.34Å; R49-R67 VanDerWaalsContact CB-O 3.26Å; R49-R67 WeakPolarHBondContact CB-O 3.26Å; R49-R67 HydrophobicContact CG-CB 4.36Å; G50-R67 PolarHBondContact N-O 3.48Å; G50-R67 PolarHBondContact O-N 3.02Å; I64-R67 HydrophobicContact CG2-CG 3.69Å; R67-N87 WeakPolarHBondContact CA-OD1 3.33Å
68Q93Very high95.4Very high8 Ų859.7 Ų59.74%0.03730%0.304CS..  trans-130.9167.3-174.756.2-179.6-10.100112.7V66 G70 I73 W86V66-Q68 HydrophobicContact CG1-CB 4.18Å; V66-Q68 HydrophobicContact CG1-CG 4.33Å; Q68-G70 WeakPolarHBondContact CG-O 3.1Å; Q68-I73 PolarHBondContact NE2-O 3.48Å; Q68-W86 WeakPolarHBondContact CG-O 3.32Å
69L90.4Very high95.4Very high105 Ų10555.9 Ų55.955%0.5529%0.29SS..SBendtrans-105.1116.1166.8-78.8-176000108.7R49R49-L69 VanDerWaalsContact CZ-CD2 3.41Å; R49-L69 VanDerWaalsContact NH1-CG 3.26Å
70G89.8Confident95.4Very high27 Ų2760 Ų6028%0.27831%0.308SS..SBendtrans69.4-159.3-175.200000112.2Q68Q68-G70 WeakPolarHBondContact CG-O 3.1Å
71M89Confident95.3Very high87 Ų8755.8 Ų55.843%0.42930%0.295SS..SBendtrans-109.171.6-170.8-164.6165.561.600110.6Y74 W86M71-Y74 HydrophobicContact CE-CD1 4.41Å; M71-Y74 HydrophobicContact CE-CE1 3.52Å; M71-Y74 HydrophobicContact CG-CD1 4.18Å; M71-Y74 HydrophobicContact CG-CD2 4.45Å; M71-Y74 HydrophobicContact CG-CE1 3.96Å; M71-Y74 HydrophobicContact CG-CE2 4.21Å; M71-Y74 HydrophobicContact CG-CG 4.43Å; M71-Y74 HydrophobicContact SD-CD1 4.04Å; M71-Y74 HydrophobicContact SD-CE1 3.72Å; M71-W86 HydrophobicContact CB-CE3 4.47Å; M71-W86 HydrophobicContact CB-CZ3 4.11Å
72E91.3Very high95.2Very high129 Ų12950.6 Ų50.660%0.60327%0.274SS*.SBendtrans-80.4-45173.8-66.2-178.6172.100110.6
73I95.7Very high95Very high16 Ų1653.3 Ų53.38%0.08228%0.283CS..SBendtrans-111.1133.1177.4-61.6153.6000108.7F51 V66 Q68 L88 P124 V126F51-I73 HydrophobicContact CE1-CD1 3.79Å; F51-I73 HydrophobicContact CE2-CD1 3.78Å; F51-I73 HydrophobicContact CZ-CD1 3.27Å; F51-I73 HydrophobicContact CZ-CG1 4.16Å; V66-I73 HydrophobicContact CG1-CD1 3.71Å; V66-I73 HydrophobicContact CG2-CD1 4.41Å; Q68-I73 PolarHBondContact NE2-O 3.48Å; I73-L88 HydrophobicContact CB-CD1 4.22Å; I73-L88 HydrophobicContact CG2-CD1 3.75Å; I73-P124 HydrophobicContact CG1-CG 4.06Å; I73-V126 HydrophobicContact CG2-CB 4.27Å; I73-V126 HydrophobicContact CG2-CG2 3.45Å; I73-V126 VanDerWaalsContact CG2-CG2 3.45Å
74Y95.7Very high94.8Very high28 Ų2859.6 Ų59.611%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-93.3145.9-174.9-75.1-106.4000111.3M71 G76 L103 K123 P124 F125 V126M71-Y74 HydrophobicContact CE-CD1 4.41Å; M71-Y74 HydrophobicContact CE-CE1 3.52Å; M71-Y74 HydrophobicContact CG-CD1 4.18Å; M71-Y74 HydrophobicContact CG-CD2 4.45Å; M71-Y74 HydrophobicContact CG-CE1 3.96Å; M71-Y74 HydrophobicContact CG-CE2 4.21Å; M71-Y74 HydrophobicContact CG-CG 4.43Å; M71-Y74 HydrophobicContact SD-CD1 4.04Å; M71-Y74 HydrophobicContact SD-CE1 3.72Å; Y74-G76 PolarHBondContact O-N 2.82Å; Y74-L103 HydrophobicContact CD1-CD1 3.91Å; Y74-L103 HydrophobicContact CE1-CD1 3.6Å; Y74-L103 HydrophobicContact CG-CD1 4.49Å; Y74-K123 HydrophobicContact CD2-CB 3.76Å; Y74-K123 HydrophobicContact CD2-CD 4.45Å; Y74-K123 HydrophobicContact CD2-CG 4.03Å; Y74-K123 HydrophobicContact CE2-CB 3.95Å; Y74-K123 HydrophobicContact CE2-CD 3.91Å; Y74-K123 HydrophobicContact CE2-CG 3.67Å; Y74-P124 PolarHBondContact N-O 3.34Å; Y74-F125 VanDerWaalsContact CB-CD1 3.45Å; Y74-F125 HydrophobicContact CD1-CE1 4.39Å; Y74-F125 HydrophobicContact CD1-CZ 4.39Å; Y74-F125 HydrophobicContact CG-CE1 4.11Å; Y74-F125 HydrophobicContact CG-CZ 4.11Å; Y74-F125 WeakPolarHBondContact O-CA 3.39Å; Y74-V126 PolarHBondContact O-N 3Å; Y74-V126 VanDerWaalsContact O-N 3.11Å
75P97Very high94.6Very high43 Ų4360.4 Ų60.428%0.27932%0.318SS..EExtended strand (participates in β ladder)trans-69.3126.4171.328.8-32.5000109.8V79 L81 L88 F125P75-V79 HydrophobicContact CB-CB 4.34Å; P75-V79 HydrophobicContact CB-CG1 4.09Å; P75-L81 HydrophobicContact CG-CB 4.43Å; P75-L88 HydrophobicContact CB-CD2 3.97Å; P75-L88 HydrophobicContact CG-CD2 4.48Å; P75-F125 WeakPolarHBondContact O-CD1 3.48Å
76G96.8Very high94.4Very high21 Ų2165.5 Ų65.522%0.21634%0.338CS..  trans-100.3-142.2171.200000111.8Y74 V126Y74-G76 PolarHBondContact O-N 2.82Å; G76-V126 WeakPolarHBondContact CA-O 3.22Å; G76-V126 PolarHBondContact N-O 2.85Å
77E96.6Very high94.4Very high120 Ų12066.3 Ų66.356%0.56134%0.342SS*.THydrogen-bonded Turntrans-67.4133.4-178-174.9173.6-175.600112V79 H127 V128E77-V79 PolarHBondContact O-N 2.83Å; E77-H127 HydrophobicContact CB-CB 4.32Å; E77-H127 PolarHBondContact N-ND1 3.37Å; E77-H127 WeakPolarHBondContact O-CA 3.32Å; E77-V128 PolarHBondContact O-N 2.74Å
78S97.2Very high94.5Very high41 Ų4161.6 Ų61.629%0.28732%0.324SS..THydrogen-bonded Turntrans55.932178.6-57.40000115L91 S92 V128S78-L91 WeakPolarHBondContact O-CB 3.18Å; S78-L91 PolarHBondContact O-N 3.43Å; S78-S92 WeakPolarHBondContact CB-OG 3.38Å; S78-S92 PolarHBondContact OG-OG 2.9Å; S78-V128 WeakPolarHBondContact CB-O 3.19Å; S78-V128 PolarHBondContact OG-O 2.94Å
79V97.9Very high94.7Very high13 Ų1361.5 Ų61.58%0.07932%0.324CS..EExtended strand (participates in β ladder)trans-127.4137.9176.8179.10000110.3L65 P75 E77 L88 V126 V128L65-V79 HydrophobicContact CD1-CB 4.48Å; L65-V79 HydrophobicContact CD1-CG1 4.06Å; L65-V79 HydrophobicContact CD1-CG2 3.57Å; P75-V79 HydrophobicContact CB-CB 4.34Å; P75-V79 HydrophobicContact CB-CG1 4.09Å; E77-V79 PolarHBondContact O-N 2.83Å; V79-L88 HydrophobicContact CG1-CB 3.89Å; V79-L88 HydrophobicContact CG1-CD2 4.14Å; V79-L88 HydrophobicContact CG1-CG 4.45Å; V79-V126 HydrophobicContact CG2-CG1 4.22Å; V79-V126 WeakPolarHBondContact CG2-O 3.42Å; V79-V128 HydrophobicContact CG2-CG2 3.89Å
80K97Very high95.1Very high86 Ų8656.6 Ų56.637%0.37430%0.299SS..EExtended strand (participates in β ladder)trans-109.2150.7170.465.4166.6-175.3146.40111.2D82 L88 V89 L91K80-D82 VanDerWaalsContact CE-OD1 3.26Å; K80-D82 WeakPolarHBondContact CE-OD1 3.26Å; K80-D82 IonicContact NZ-OD1 2.74Å; K80-D82 PolarHBondContact NZ-OD1 3.14Å; K80-D82 IonicContact NZ-OD2 3.05Å; K80-L88 WeakPolarHBondContact O-CA 3.36Å; K80-V89 HydrophobicContact CD-CB 4.48Å; K80-V89 HydrophobicContact CG-CB 3.92Å; K80-V89 HydrophobicContact CG-CG1 4.49Å; K80-V89 PolarHBondContact N-O 2.91Å; K80-V89 PolarHBondContact O-N 2.86Å; K80-L91 HydrophobicContact CB-CD1 4.16Å; K80-L91 HydrophobicContact CB-CD2 3.9Å; K80-L91 HydrophobicContact CB-CG 4.06Å; K80-L91 HydrophobicContact CD-CD2 3.85Å; K80-L91 HydrophobicContact CG-CD2 3.79Å; K80-L91 HydrophobicContact CG-CG 4.2Å
81L96.8Very high95.4Very high52 Ų5259.3 Ų59.327%0.27231%0.306SS..EExtended strand (participates in β ladder)trans-96.5125.9167179.871.6000109.2P75 P83 W86 L88P75-L81 HydrophobicContact CG-CB 4.43Å; L81-P83 WeakPolarHBondContact O-CD 3.44Å; L81-W86 HydrophobicContact CD1-CE3 4.25Å; L81-W86 HydrophobicContact CD2-CE3 4.02Å; L81-W86 HydrophobicContact CD2-CZ3 3.93Å; L81-L88 HydrophobicContact CB-CD2 4.17Å; L81-L88 HydrophobicContact CD1-CD2 3.71Å
82D95.3Very high95.8Very high39 Ų3956.6 Ų56.621%0.20930%0.296CS..  trans-85114.8173.2-74.8-22.2000110.1K80 E84 T85 W86 N87 V89K80-D82 VanDerWaalsContact CE-OD1 3.26Å; K80-D82 WeakPolarHBondContact CE-OD1 3.26Å; K80-D82 IonicContact NZ-OD1 2.74Å; K80-D82 PolarHBondContact NZ-OD1 3.14Å; K80-D82 IonicContact NZ-OD2 3.05Å; D82-E84 VanDerWaalsContact C-N 3.28Å; D82-E84 PolarHBondContact O-N 3.08Å; D82-T85 PolarHBondContact O-N 3.48Å; D82-W86 VanDerWaalsContact O-CA 3.3Å; D82-W86 WeakPolarHBondContact O-CA 3.42Å; D82-W86 PolarHBondContact O-N 2.78Å; D82-N87 PolarHBondContact N-O 2.93Å; D82-V89 WeakPolarHBondContact OD2-CG2 3.41Å
83P92Very high96Very high103 Ų10354.1 Ų54.167%0.66929%0.287SS*.THydrogen-bonded Turntrans-69.6-22.3-170.927.1-35.2000114.1L81L81-P83 WeakPolarHBondContact O-CD 3.44Å
84E92.5Very high96.1Very high183 Ų18353.3 Ų53.386%0.85528%0.283SS*.THydrogen-bonded Turntrans-77.9-36.2179.5-62.9-177.1175.900112.5D82D82-E84 VanDerWaalsContact C-N 3.28Å; D82-E84 PolarHBondContact O-N 3.08Å
85T92.3Very high96.2Very high68 Ų6859.2 Ų59.242%0.41731%0.305SS..THydrogen-bonded Turntrans-114.3-13.4-171.157.60000113.8D82 N87D82-T85 PolarHBondContact O-N 3.48Å; T85-N87 VanDerWaalsContact CB-ND2 3.34Å; T85-N87 WeakPolarHBondContact CB-ND2 3.32Å; T85-N87 PolarHBondContact O-N 2.89Å; T85-N87 PolarHBondContact OG1-N 2.78Å; T85-N87 PolarHBondContact OG1-ND2 3.36Å
86W94.4Very high96.2Very high107 Ų10757.2 Ų57.241%0.40529%0.292SS..  trans61.618.5-170.2-62.887.4000114.3Q68 M71 L81 D82Q68-W86 WeakPolarHBondContact CG-O 3.32Å; M71-W86 HydrophobicContact CB-CE3 4.47Å; M71-W86 HydrophobicContact CB-CZ3 4.11Å; L81-W86 HydrophobicContact CD1-CE3 4.25Å; L81-W86 HydrophobicContact CD2-CE3 4.02Å; L81-W86 HydrophobicContact CD2-CZ3 3.93Å; D82-W86 VanDerWaalsContact O-CA 3.3Å; D82-W86 WeakPolarHBondContact O-CA 3.42Å; D82-W86 PolarHBondContact O-N 2.78Å
87N96.3Very high96.2Very high17 Ų1758.1 Ų58.19%0.09129%0.293CS..  trans-78.2144.8176.6-64.9-29.9000110.9I64 V66 R67 D82 T85I64-N87 HydrophobicContact CG2-CB 4.09Å; V66-N87 WeakPolarHBondContact O-CA 3.36Å; R67-N87 WeakPolarHBondContact CA-OD1 3.33Å; D82-N87 PolarHBondContact N-O 2.93Å; T85-N87 VanDerWaalsContact CB-ND2 3.34Å; T85-N87 WeakPolarHBondContact CB-ND2 3.32Å; T85-N87 PolarHBondContact O-N 2.89Å; T85-N87 PolarHBondContact OG1-N 2.78Å; T85-N87 PolarHBondContact OG1-ND2 3.36Å
88L97.4Very high96.3Very high0 Ų055.2 Ų55.20%028%0.281CS..EExtended strand (participates in β ladder)trans-91.6130.6167.4-64-179.8000109.3I64 L65 V66 I73 P75 V79 K80 L81 V126I64-L88 CarbonylContact C-O 3.55Å; L65-L88 HydrophobicContact CB-CB 4.36Å; L65-L88 PolarHBondContact N-O 2.97Å; V66-L88 HydrophobicContact CB-CB 4.15Å; V66-L88 HydrophobicContact CB-CD1 4.12Å; V66-L88 HydrophobicContact CB-CG 4.32Å; V66-L88 HydrophobicContact CG2-CB 4.5Å; V66-L88 HydrophobicContact CG2-CD1 4.1Å; V66-L88 PolarHBondContact O-N 2.98Å; I73-L88 HydrophobicContact CB-CD1 4.22Å; I73-L88 HydrophobicContact CG2-CD1 3.75Å; P75-L88 HydrophobicContact CB-CD2 3.97Å; P75-L88 HydrophobicContact CG-CD2 4.48Å; V79-L88 HydrophobicContact CG1-CB 3.89Å; V79-L88 HydrophobicContact CG1-CD2 4.14Å; V79-L88 HydrophobicContact CG1-CG 4.45Å; K80-L88 WeakPolarHBondContact O-CA 3.36Å; L81-L88 HydrophobicContact CB-CD2 4.17Å; L81-L88 HydrophobicContact CD1-CD2 3.71Å; L88-V126 HydrophobicContact CD1-CB 4.22Å; L88-V126 HydrophobicContact CD1-CG2 4.39Å
89V97.6Very high96.3Very high7 Ų754.7 Ų54.74%0.04228%0.277CS..EExtended strand (participates in β ladder)trans-129.3137.3-174.7177.70000110.9D63 I64 K80 D82D63-V89 VanDerWaalsContact O-CA 3.32Å; D63-V89 WeakPolarHBondContact O-CA 3.37Å; I64-V89 HydrophobicContact CG1-CG2 4.22Å; K80-V89 HydrophobicContact CD-CB 4.48Å; K80-V89 HydrophobicContact CG-CB 3.92Å; K80-V89 HydrophobicContact CG-CG1 4.49Å; K80-V89 PolarHBondContact N-O 2.91Å; K80-V89 PolarHBondContact O-N 2.86Å; D82-V89 WeakPolarHBondContact OD2-CG2 3.41Å
90A98.1Very high96.3Very high2 Ų259 Ų592%0.01730%0.303CS..EExtended strand (participates in β ladder)trans-68.1131.4178.600000112.2V59 Y60 G62 D63 L65 V128V59-A90 HydrophobicContact CG2-CB 4.43Å; Y60-A90 WeakPolarHBondContact O-CB 3.33Å; G62-A90 PolarHBondContact N-O 3.11Å; D63-A90 PolarHBondContact O-N 3.24Å; L65-A90 HydrophobicContact CD1-CB 4.3Å; L65-A90 HydrophobicContact CD2-CB 4.14Å; L65-A90 HydrophobicContact CG-CB 4.31Å; A90-V128 HydrophobicContact CB-CG2 4.01Å
91L97.5Very high96.2Very high83 Ų8358.4 Ų58.444%0.43530%0.302SS..SBendtrans-92.4-21.4175.1-68.9174.2000113.3K61 S78 K80K61-L91 WeakPolarHBondContact CD-O 3.33Å; K61-L91 WeakPolarHBondContact CE-O 3.36Å; K61-L91 WeakPolarHBondContact CG-O 3.15Å; S78-L91 WeakPolarHBondContact O-CB 3.18Å; S78-L91 PolarHBondContact O-N 3.43Å; K80-L91 HydrophobicContact CB-CD1 4.16Å; K80-L91 HydrophobicContact CB-CD2 3.9Å; K80-L91 HydrophobicContact CB-CG 4.06Å; K80-L91 HydrophobicContact CD-CD2 3.85Å; K80-L91 HydrophobicContact CG-CD2 3.79Å; K80-L91 HydrophobicContact CG-CG 4.2Å
92S95.9Very high96.2Very high31 Ų3161.1 Ų61.122%0.21731%0.314CS..SBendtrans-132.7167.8-179.661.90000110.7K61 S78K61-S92 PolarHBondContact N-O 3.26Å; S78-S92 WeakPolarHBondContact CB-OG 3.38Å; S78-S92 PolarHBondContact OG-OG 2.9Å
93N96.6Very high96.2Very high76 Ų7659.8 Ų59.841%0.40631%0.306SS..SBendtrans-84.7143.6166.7-57.4-15.8000108.2Y58 V59 K61 G130Y58-N93 HydrophobicContact CE1-CB 4.43Å; V59-N93 WeakPolarHBondContact O-CA 3.4Å; K61-N93 WeakPolarHBondContact CB-OD1 3.45Å; K61-N93 PolarHBondContact N-OD1 3.46Å; N93-G130 WeakPolarHBondContact O-CA 3.26Å
94G96.8Very high96.2Very high0 Ų060 Ų600%031%0.311CS..EExtended strand (participates in β ladder)trans165.8-165.6178.400000113.4V59 I129V59-G94 WeakPolarHBondContact CG2-O 3.23Å; V59-G94 PolarHBondContact N-O 3.42Å; V59-G94 PolarHBondContact O-N 2.93Å; G94-I129 CarbonylContact C-O 3.57Å; G94-I129 WeakPolarHBondContact CA-O 3.32Å
95R97.4Very high96.3Very high152 Ų15252.2 Ų52.257%0.57428%0.276SS*.EExtended strand (participates in β ladder)trans-88.4129.8174.8-64.9-171-178.2-161.5-1.3110.5V128 I129R95-V128 WeakPolarHBondContact O-CA 3.21Å; R95-I129 PolarHBondContact N-O 3.05Å; R95-I129 PolarHBondContact O-N 3.18Å
96F97.9Very high96.4Very high0 Ų057.2 Ų57.20%029%0.292CS..EExtended strand (participates in β ladder)trans-72.5132.7172.3172.4-95.4000109.9F51 F53 N54 G56 D57 V59 L65 I98 V126 H127F51-F96 AromaticContact CD1-CZ 3.79Å; F51-F96 HydrophobicContact CD1-CZ 3.79Å; F51-F96 HydrophobicContact CE1-CZ 4.12Å; F53-F96 HydrophobicContact CB-CD1 4.15Å; F53-F96 HydrophobicContact CB-CE1 4.48Å; F53-F96 HydrophobicContact CB-CG 4.2Å; N54-F96 VanDerWaalsContact O-CD1 3.25Å; N54-F96 WeakPolarHBondContact O-CD1 3.39Å; G56-F96 WeakPolarHBondContact CA-O 3.3Å; G56-F96 PolarHBondContact N-O 3.5Å; D57-F96 WeakPolarHBondContact O-CB 3.22Å; D57-F96 PolarHBondContact O-N 3.28Å; V59-F96 HydrophobicContact CG1-CB 3.83Å; V59-F96 HydrophobicContact CG2-CB 4.33Å; L65-F96 HydrophobicContact CB-CD2 4.37Å; L65-F96 HydrophobicContact CB-CE2 4.02Å; L65-F96 HydrophobicContact CD1-CD2 4.22Å; L65-F96 HydrophobicContact CD1-CE2 4.41Å; L65-F96 HydrophobicContact CD2-CD2 3.91Å; L65-F96 HydrophobicContact CD2-CE2 4.4Å; L65-F96 HydrophobicContact CG-CD2 4.4Å; F96-I98 HydrophobicContact CE1-CD1 3.7Å; F96-I98 HydrophobicContact CE1-CG1 3.53Å; F96-I98 HydrophobicContact CZ-CD1 3.87Å; F96-I98 HydrophobicContact CZ-CG1 3.59Å; F96-V126 HydrophobicContact CD2-CG1 3.83Å; F96-V126 HydrophobicContact CE2-CB 4.32Å; F96-V126 HydrophobicContact CE2-CG1 3.23Å; F96-V126 HydrophobicContact CE2-CG2 4.12Å; F96-V126 HydrophobicContact CZ-CG1 4.08Å; F96-V126 HydrophobicContact CZ-CG2 4.17Å; F96-H127 WeakPolarHBondContact CA-O 3.2Å
97T97.6Very high96.5Very high41 Ų4156.2 Ų56.225%0.25230%0.299SS..EExtended strand (participates in β ladder)trans-139.9139.6178.3-55.70000111.4D55 H127D55-T97 WeakPolarHBondContact OD1-CA 3.34Å; T97-H127 PolarHBondContact N-O 3.04Å; T97-H127 PolarHBondContact O-N 2.86Å
98I97.1Very high96.4Very high59 Ų5963.2 Ų63.230%0.30334%0.337SS..EExtended strand (participates in β ladder)trans-107.5127174.4-54.9170.1000109F51 D55 F96 F125 V126F51-I98 HydrophobicContact CD1-CD1 3.98Å; F51-I98 HydrophobicContact CE1-CD1 3.56Å; F51-I98 HydrophobicContact CE1-CG1 4.14Å; F51-I98 HydrophobicContact CZ-CD1 3.87Å; D55-I98 PolarHBondContact OD1-N 2.89Å; F96-I98 HydrophobicContact CE1-CD1 3.7Å; F96-I98 HydrophobicContact CE1-CG1 3.53Å; F96-I98 HydrophobicContact CZ-CD1 3.87Å; F96-I98 HydrophobicContact CZ-CG1 3.59Å; I98-F125 WeakPolarHBondContact CA-O 3.34Å; I98-V126 HydrophobicContact CG1-CG2 4.34Å
99S97.3Very high96.2Very high30 Ų3064.9 Ų64.921%0.2135%0.349CS..EExtended strand (participates in β ladder)trans-120.8164.5173.768.80000110.2E101 P124 F125 H127S99-E101 WeakPolarHBondContact OG-CG 3.17Å; S99-E101 PolarHBondContact OG-OE1 3.01Å; S99-P124 CarbonylContact O-C 3.49Å; S99-P124 VanDerWaalsContact O-CA 3.3Å; S99-P124 WeakPolarHBondContact O-CA 3.46Å; S99-F125 PolarHBondContact N-O 2.95Å; S99-F125 PolarHBondContact O-N 3.01Å; S99-H127 PolarHBondContact OG-CD2 2.84Å; S99-H127 PolarHBondContact OG-NE2 3.23Å
100T97.6Very high95.9Very high102 Ų10270.5 Ų70.563%0.62639%0.385SS*.EExtended strand (participates in β ladder)trans-118.5114.7167.4-56.80000107.6K123T100-K123 WeakPolarHBondContact CA-O 3.25Å
101E96.8Very high95.6Very high75 Ų7572.6 Ų72.635%0.3540%0.396SS..EExtended strand (participates in β ladder)trans-122.8158.1-170.5-55-178.8-177.500111.3S99 Y122 K123 F125 H127S99-E101 WeakPolarHBondContact OG-CG 3.17Å; S99-E101 PolarHBondContact OG-OE1 3.01Å; E101-Y122 WeakPolarHBondContact O-CA 3.43Å; E101-K123 PolarHBondContact N-O 2.84Å; E101-K123 PolarHBondContact O-N 3.4Å; E101-F125 HydrophobicContact CB-CD2 3.63Å; E101-F125 HydrophobicContact CB-CE2 3.8Å; E101-F125 HydrophobicContact CB-CG 4.43Å; E101-F125 HydrophobicContact CG-CD2 4.03Å; E101-F125 HydrophobicContact CG-CG 4.46Å; E101-H127 IonicContact OE1-CE1 3.04Å; E101-H127 PolarHBondContact OE1-CE1 2.84Å; E101-H127 IonicContact OE1-NE2 3.91Å; E101-H127 PolarHBondContact OE1-NE2 3.47Å
102E96.3Very high95.5Very high109 Ų10972.5 Ų72.551%0.50939%0.39SS..EExtended strand (participates in β ladder)trans-73.4126.7172.7-176.4176.7167.200110.2S104 V120 Y122E102-S104 PolarHBondContact O-N 2.87Å; E102-V120 HydrophobicContact CG-CG1 3.93Å; E102-Y122 HydrophobicContact CB-CD1 4.34Å; E102-Y122 HydrophobicContact CB-CE1 3.97Å
103L94Very high95.5Very high11 Ų1172.9 Ų72.96%0.05840%0.399CS..  trans-75.2125.1-178.3-170.284.6000110.7Y74 P105 L111 I121 K123 F125Y74-L103 HydrophobicContact CD1-CD1 3.91Å; Y74-L103 HydrophobicContact CE1-CD1 3.6Å; Y74-L103 HydrophobicContact CG-CD1 4.49Å; L103-P105 VanDerWaalsContact C-CD 3.48Å; L103-P105 HydrophobicContact CD2-CB 4.29Å; L103-P105 HydrophobicContact CD2-CG 4.35Å; L103-P105 WeakPolarHBondContact O-CD 3.36Å; L103-L111 HydrophobicContact CD2-CB 4.14Å; L103-L111 HydrophobicContact CD2-CD1 3.46Å; L103-L111 VanDerWaalsContact CD2-CD1 3.46Å; L103-L111 HydrophobicContact CD2-CG 4.43Å; L103-I121 HydrophobicContact CB-CB 4.22Å; L103-I121 HydrophobicContact CB-CG2 4.38Å; L103-I121 VanDerWaalsContact CB-O 3.32Å; L103-I121 WeakPolarHBondContact CB-O 3.36Å; L103-I121 HydrophobicContact CD2-CG2 4.38Å; L103-I121 PolarHBondContact N-O 3.04Å; L103-K123 HydrophobicContact CD1-CG 4.46Å; L103-F125 HydrophobicContact CD1-CZ 4.06Å
104S93.8Very high95.3Very high108 Ų10874.3 Ų74.376%0.75540%0.401SS*.  trans-11079.5170.447.90000110.8E102E102-S104 PolarHBondContact O-N 2.87Å
105P94.7Very high95.2Very high19 Ų1976 Ų7612%0.12341%0.412CS..  trans-67.2144.9-175.628-35.1000112.5L103 L111 Y112 V115L103-P105 VanDerWaalsContact C-CD 3.48Å; L103-P105 HydrophobicContact CD2-CB 4.29Å; L103-P105 HydrophobicContact CD2-CG 4.35Å; L103-P105 WeakPolarHBondContact O-CD 3.36Å; P105-L111 HydrophobicContact CB-CB 4.14Å; P105-L111 HydrophobicContact CG-CB 4.31Å; P105-Y112 HydrophobicContact CG-CD2 4.44Å; P105-Y112 WeakPolarHBondContact O-CD2 3.43Å; P105-V115 HydrophobicContact CG-CB 3.97Å; P105-V115 HydrophobicContact CG-CG1 4.48Å; P105-V115 HydrophobicContact CG-CG2 3.67Å
106F94.4Very high95Very high172 Ų17276 Ų7675%0.75442%0.416SS*.  trans-63.2155170.1-70-73.1000112N108 S109 Y112F106-N108 PolarHBondContact O-N 2.81Å; F106-S109 WeakPolarHBondContact O-CB 3.31Å; F106-S109 PolarHBondContact O-N 2.85Å; F106-Y112 WeakPolarHBondContact O-CB 3.43Å
107P94.9Very high94.9Very high87 Ų8782.9 Ų82.957%0.56545%0.453SS*.THydrogen-bonded Turntrans-54.1-29.7179.4-28.736.1000115.4S109 Y112P107-S109 VanDerWaalsContact C-N 3.31Å; P107-Y112 HydrophobicContact CB-CD1 4.44Å; P107-Y112 HydrophobicContact CB-CE1 4.26Å; P107-Y112 HydrophobicContact CB-CE2 4.48Å; P107-Y112 HydrophobicContact CG-CE2 4.28Å
108N95.4Very high94.7Very high163 Ų16383.8 Ų83.887%0.87247%0.47SS*.THydrogen-bonded Turntrans-84.6-4.3179.2-62.5-18000113.3F106F106-N108 PolarHBondContact O-N 2.81Å
109S91.7Very high94.6Very high36 Ų3685.7 Ų85.725%0.25248%0.478SS..SBendtrans-76.2140.5179.2177.60000110.6F106 P107 L111 Y112F106-S109 WeakPolarHBondContact O-CB 3.31Å; F106-S109 PolarHBondContact O-N 2.85Å; P107-S109 VanDerWaalsContact C-N 3.31Å; S109-L111 PolarHBondContact O-N 2.92Å; S109-L111 VanDerWaalsContact O-N 3.1Å; S109-L111 PolarHBondContact OG-N 2.77Å; S109-Y112 VanDerWaalsContact O-CB 3.22Å; S109-Y112 WeakPolarHBondContact O-CB 3.48Å; S109-Y112 PolarHBondContact O-N 3.05Å
110P92.5Very high94.5Very high124 Ų12487.9 Ų87.981%0.80549%0.49SS*.THydrogen-bonded Turntrans-61.5-18.8173.526.2-35.2000113.3
111L92.2Very high94.4Very high47 Ų4784.1 Ų84.125%0.24647%0.466CS..THydrogen-bonded Turntrans-84.5-12177.8-59.4177.2000112.9L103 P105 S109 G113 K114 V115L103-L111 HydrophobicContact CD2-CB 4.14Å; L103-L111 HydrophobicContact CD2-CD1 3.46Å; L103-L111 VanDerWaalsContact CD2-CD1 3.46Å; L103-L111 HydrophobicContact CD2-CG 4.43Å; P105-L111 HydrophobicContact CB-CB 4.14Å; P105-L111 HydrophobicContact CG-CB 4.31Å; S109-L111 PolarHBondContact O-N 2.92Å; S109-L111 VanDerWaalsContact O-N 3.1Å; S109-L111 PolarHBondContact OG-N 2.77Å; L111-G113 PolarHBondContact O-N 3.27Å; L111-K114 PolarHBondContact O-N 2.93Å; L111-V115 PolarHBondContact O-N 3.35Å
112Y95.2Very high94.3Very high81 Ų8187.4 Ų87.432%0.31848%0.476SS..Hα-helixtrans-63.1-42-174.3-177-107.2000113.5P105 F106 P107 S109 K114 V115 K116P105-Y112 HydrophobicContact CG-CD2 4.44Å; P105-Y112 WeakPolarHBondContact O-CD2 3.43Å; F106-Y112 WeakPolarHBondContact O-CB 3.43Å; P107-Y112 HydrophobicContact CB-CD1 4.44Å; P107-Y112 HydrophobicContact CB-CE1 4.26Å; P107-Y112 HydrophobicContact CB-CE2 4.48Å; P107-Y112 HydrophobicContact CG-CE2 4.28Å; S109-Y112 VanDerWaalsContact O-CB 3.22Å; S109-Y112 WeakPolarHBondContact O-CB 3.48Å; S109-Y112 PolarHBondContact O-N 3.05Å; Y112-K114 VanDerWaalsContact C-N 3.32Å; Y112-K114 PolarHBondContact O-N 2.9Å; Y112-V115 PolarHBondContact O-N 2.79Å; Y112-K116 HydrophobicContact CE1-CD 4.04Å; Y112-K116 WeakPolarHBondContact O-CB 3.45Å; Y112-K116 PolarHBondContact O-N 3.4Å
113G94.7Very high94.3Very high38 Ų3885.8 Ų85.839%0.39247%0.467SS..Hα-helixtrans-57.3-46.4179.200000112L111 V115 K116 D117L111-G113 PolarHBondContact O-N 3.27Å; G113-V115 PolarHBondContact O-N 2.81Å; G113-K116 PolarHBondContact O-N 3Å; G113-D117 PolarHBondContact O-N 3.16Å
114K93.8Very high94.4Very high106 Ų10687.3 Ų87.346%0.46148%0.478SS..Hα-helixtrans-61.2-47.4179.5-67.6-173163.7-149.10113.1L111 Y112 K116 D117 G118 E119 I121L111-K114 PolarHBondContact O-N 2.93Å; Y112-K114 VanDerWaalsContact C-N 3.32Å; Y112-K114 PolarHBondContact O-N 2.9Å; K114-K116 VanDerWaalsContact C-N 3.29Å; K114-K116 PolarHBondContact O-N 2.9Å; K114-D117 PolarHBondContact O-N 3.02Å; K114-G118 PolarHBondContact O-N 3.22Å; K114-E119 HydrophobicContact CB-CB 4.37Å; K114-E119 WeakPolarHBondContact CB-OE2 3.3Å; K114-E119 WeakPolarHBondContact CD-OE2 3.38Å; K114-E119 VanDerWaalsContact O-CB 3.25Å; K114-E119 WeakPolarHBondContact O-CB 3.44Å; K114-E119 PolarHBondContact O-N 3.47Å; K114-I121 HydrophobicContact CB-CD1 4.44Å
115V94.6Very high94.6Very high37 Ų3783.4 Ų83.422%0.22445%0.447CS..Hα-helixtrans-65.4-37.4178.9177.30000110.9P105 L111 Y112 G113 D117 G118 E119 I121P105-V115 HydrophobicContact CG-CB 3.97Å; P105-V115 HydrophobicContact CG-CG1 4.48Å; P105-V115 HydrophobicContact CG-CG2 3.67Å; L111-V115 PolarHBondContact O-N 3.35Å; Y112-V115 PolarHBondContact O-N 2.79Å; G113-V115 PolarHBondContact O-N 2.81Å; V115-D117 VanDerWaalsContact C-N 3.32Å; V115-D117 PolarHBondContact O-N 3.43Å; V115-G118 PolarHBondContact O-N 2.97Å; V115-G118 VanDerWaalsContact O-N 3.1Å; V115-E119 WeakPolarHBondContact CA-O 3.48Å; V115-I121 HydrophobicContact CG2-CD1 3.83Å; V115-I121 HydrophobicContact CG2-CG1 4.21Å
116K93.3Very high94.7Very high152 Ų15282.5 Ų82.566%0.66144%0.441SS*.Hα-helixtrans-66.4-32.5175.7-172.5179.3178.2-174.90113.1Y112 G113 K114 G118Y112-K116 HydrophobicContact CE1-CD 4.04Å; Y112-K116 WeakPolarHBondContact O-CB 3.45Å; Y112-K116 PolarHBondContact O-N 3.4Å; G113-K116 PolarHBondContact O-N 3Å; K114-K116 VanDerWaalsContact C-N 3.29Å; K114-K116 PolarHBondContact O-N 2.9Å; K116-G118 PolarHBondContact O-N 2.87Å
117D94.5Very high94.9Very high144 Ų14475.2 Ų75.277%0.7741%0.409SS*.THydrogen-bonded Turntrans-72.8-4.2174.5-64.6-22.1000112.7G113 K114 V115G113-D117 PolarHBondContact O-N 3.16Å; K114-D117 PolarHBondContact O-N 3.02Å; V115-D117 VanDerWaalsContact C-N 3.32Å; V115-D117 PolarHBondContact O-N 3.43Å
118G94.5Very high95.1Very high60 Ų6071 Ų7162%0.61938%0.382SS*.THydrogen-bonded Turntrans101.47.417700000114.6K114 V115 K116 V120K114-G118 PolarHBondContact O-N 3.22Å; V115-G118 PolarHBondContact O-N 2.97Å; V115-G118 VanDerWaalsContact O-N 3.1Å; K116-G118 PolarHBondContact O-N 2.87Å; G118-V120 PolarHBondContact O-N 2.92Å
119E94.5Very high95.1Very high98 Ų9867.3 Ų67.346%0.45836%0.362SS..  trans-76.7118.8176.4-165.5179.4171.400110.7K114 V115 I121K114-E119 HydrophobicContact CB-CB 4.37Å; K114-E119 WeakPolarHBondContact CB-OE2 3.3Å; K114-E119 WeakPolarHBondContact CD-OE2 3.38Å; K114-E119 VanDerWaalsContact O-CB 3.25Å; K114-E119 WeakPolarHBondContact O-CB 3.44Å; K114-E119 PolarHBondContact O-N 3.47Å; V115-E119 WeakPolarHBondContact CA-O 3.48Å; E119-I121 HydrophobicContact CG-CG1 4.41Å
120V95.2Very high95.2Very high77 Ų7767.4 Ų67.447%0.46737%0.368SS..  trans-86.4119.3175.8-176.20000109.4E102 G118 Y122E102-V120 HydrophobicContact CG-CG1 3.93Å; G118-V120 PolarHBondContact O-N 2.92Å; V120-Y122 HydrophobicContact CB-CE2 4.48Å; V120-Y122 HydrophobicContact CG1-CD2 4.11Å; V120-Y122 HydrophobicContact CG1-CE2 3.45Å; V120-Y122 VanDerWaalsContact CG1-CE2 3.45Å
121I94.6Very high95Very high23 Ų2365.2 Ų65.212%0.11835%0.35CS..  trans-111.5114.7-178-56.1176.1000109.3L103 K114 V115 E119 K123L103-I121 HydrophobicContact CB-CB 4.22Å; L103-I121 HydrophobicContact CB-CG2 4.38Å; L103-I121 VanDerWaalsContact CB-O 3.32Å; L103-I121 WeakPolarHBondContact CB-O 3.36Å; L103-I121 HydrophobicContact CD2-CG2 4.38Å; L103-I121 PolarHBondContact N-O 3.04Å; K114-I121 HydrophobicContact CB-CD1 4.44Å; V115-I121 HydrophobicContact CG2-CD1 3.83Å; V115-I121 HydrophobicContact CG2-CG1 4.21Å; E119-I121 HydrophobicContact CG-CG1 4.41Å; I121-K123 HydrophobicContact CG2-CG 4.18Å
122Y96.1Very high94.7Very high143 Ų14368.7 Ų68.756%0.56138%0.375SS*.EExtended strand (participates in β ladder)trans-93.1135.4172.4-69.1-78.7000111.6E101 E102 V120E101-Y122 WeakPolarHBondContact O-CA 3.43Å; E102-Y122 HydrophobicContact CB-CD1 4.34Å; E102-Y122 HydrophobicContact CB-CE1 3.97Å; V120-Y122 HydrophobicContact CB-CE2 4.48Å; V120-Y122 HydrophobicContact CG1-CD2 4.11Å; V120-Y122 HydrophobicContact CG1-CE2 3.45Å; V120-Y122 VanDerWaalsContact CG1-CE2 3.45Å
123K95.3Very high94.3Very high75 Ų7572.3 Ų72.333%0.32640%0.398SS..EExtended strand (participates in β ladder)trans-136.9151.6178.5-71.6-63.8179.5-1770112.2Y74 T100 E101 L103 I121 F125Y74-K123 HydrophobicContact CD2-CB 3.76Å; Y74-K123 HydrophobicContact CD2-CD 4.45Å; Y74-K123 HydrophobicContact CD2-CG 4.03Å; Y74-K123 HydrophobicContact CE2-CB 3.95Å; Y74-K123 HydrophobicContact CE2-CD 3.91Å; Y74-K123 HydrophobicContact CE2-CG 3.67Å; T100-K123 WeakPolarHBondContact CA-O 3.25Å; E101-K123 PolarHBondContact N-O 2.84Å; E101-K123 PolarHBondContact O-N 3.4Å; L103-K123 HydrophobicContact CD1-CG 4.46Å; I121-K123 HydrophobicContact CG2-CG 4.18Å; K123-F125 HydrophobicContact CB-CE2 3.98Å; K123-F125 WeakPolarHBondContact O-CD2 3.19Å
124P96.6Very high93.9Very high44 Ų4478.3 Ų78.329%0.28642%0.416SS..EExtended strand (participates in β ladder)trans-74.2132.1172.729.7-31.8000110.3I73 Y74 S99I73-P124 HydrophobicContact CG1-CG 4.06Å; Y74-P124 PolarHBondContact N-O 3.34Å; S99-P124 CarbonylContact O-C 3.49Å; S99-P124 VanDerWaalsContact O-CA 3.3Å; S99-P124 WeakPolarHBondContact O-CA 3.46Å
125F97.6Very high93.5Very high25 Ų2577 Ų7711%0.1142%0.418CS..EExtended strand (participates in β ladder)trans-117.2149.3173.4-72-103.9000110.2Y74 P75 I98 S99 E101 L103 K123 H127Y74-F125 VanDerWaalsContact CB-CD1 3.45Å; Y74-F125 HydrophobicContact CD1-CE1 4.39Å; Y74-F125 HydrophobicContact CD1-CZ 4.39Å; Y74-F125 HydrophobicContact CG-CE1 4.11Å; Y74-F125 HydrophobicContact CG-CZ 4.11Å; Y74-F125 WeakPolarHBondContact O-CA 3.39Å; P75-F125 WeakPolarHBondContact O-CD1 3.48Å; I98-F125 WeakPolarHBondContact CA-O 3.34Å; S99-F125 PolarHBondContact N-O 2.95Å; S99-F125 PolarHBondContact O-N 3.01Å; E101-F125 HydrophobicContact CB-CD2 3.63Å; E101-F125 HydrophobicContact CB-CE2 3.8Å; E101-F125 HydrophobicContact CB-CG 4.43Å; E101-F125 HydrophobicContact CG-CD2 4.03Å; E101-F125 HydrophobicContact CG-CG 4.46Å; L103-F125 HydrophobicContact CD1-CZ 4.06Å; K123-F125 HydrophobicContact CB-CE2 3.98Å; K123-F125 WeakPolarHBondContact O-CD2 3.19Å; F125-H127 WeakPolarHBondContact CB-NE2 3.44Å
126V97.7Very high93.2Very high0 Ų080.8 Ų80.80%044%0.441CS..EExtended strand (participates in β ladder)trans-116.6130.2178.1165.40000109.2F51 L65 V66 I73 Y74 G76 V79 L88 F96 I98F51-V126 HydrophobicContact CE1-CG2 3.94Å; L65-V126 HydrophobicContact CB-CG1 4.29Å; L65-V126 HydrophobicContact CD1-CG1 3.66Å; V66-V126 HydrophobicContact CG2-CG2 4.15Å; I73-V126 HydrophobicContact CG2-CB 4.27Å; I73-V126 HydrophobicContact CG2-CG2 3.45Å; I73-V126 VanDerWaalsContact CG2-CG2 3.45Å; Y74-V126 PolarHBondContact O-N 3Å; Y74-V126 VanDerWaalsContact O-N 3.11Å; G76-V126 WeakPolarHBondContact CA-O 3.22Å; G76-V126 PolarHBondContact N-O 2.85Å; V79-V126 HydrophobicContact CG2-CG1 4.22Å; V79-V126 WeakPolarHBondContact CG2-O 3.42Å; L88-V126 HydrophobicContact CD1-CB 4.22Å; L88-V126 HydrophobicContact CD1-CG2 4.39Å; F96-V126 HydrophobicContact CD2-CG1 3.83Å; F96-V126 HydrophobicContact CE2-CB 4.32Å; F96-V126 HydrophobicContact CE2-CG1 3.23Å; F96-V126 HydrophobicContact CE2-CG2 4.12Å; F96-V126 HydrophobicContact CZ-CG1 4.08Å; F96-V126 HydrophobicContact CZ-CG2 4.17Å; I98-V126 HydrophobicContact CG1-CG2 4.34Å
127H98.2Very high93Very high19 Ų1983.2 Ų83.29%0.08845%0.448CS..EExtended strand (participates in β ladder)trans-124.1151.1-175-55.8-105.4000110.1E77 F96 T97 S99 E101 F125E77-H127 HydrophobicContact CB-CB 4.32Å; E77-H127 PolarHBondContact N-ND1 3.37Å; E77-H127 WeakPolarHBondContact O-CA 3.32Å; F96-H127 WeakPolarHBondContact CA-O 3.2Å; T97-H127 PolarHBondContact N-O 3.04Å; T97-H127 PolarHBondContact O-N 2.86Å; S99-H127 PolarHBondContact OG-CD2 2.84Å; S99-H127 PolarHBondContact OG-NE2 3.23Å; E101-H127 IonicContact OE1-CE1 3.04Å; E101-H127 PolarHBondContact OE1-CE1 2.84Å; E101-H127 IonicContact OE1-NE2 3.91Å; E101-H127 PolarHBondContact OE1-NE2 3.47Å; F125-H127 WeakPolarHBondContact CB-NE2 3.44Å
128V98.2Very high92.8Very high0 Ų084.6 Ų84.60%045%0.447CS..EExtended strand (participates in β ladder)trans-119.9105.6164.9-179.20000108V59 L65 E77 S78 V79 A90 R95 G130V59-V128 HydrophobicContact CG2-CB 4.3Å; V59-V128 HydrophobicContact CG2-CG1 3.58Å; V59-V128 HydrophobicContact CG2-CG2 3.71Å; L65-V128 HydrophobicContact CD1-CG2 3.69Å; L65-V128 HydrophobicContact CD2-CG2 4.46Å; E77-V128 PolarHBondContact O-N 2.74Å; S78-V128 WeakPolarHBondContact CB-O 3.19Å; S78-V128 PolarHBondContact OG-O 2.94Å; V79-V128 HydrophobicContact CG2-CG2 3.89Å; A90-V128 HydrophobicContact CB-CG2 4.01Å; R95-V128 WeakPolarHBondContact O-CA 3.21Å; V128-G130 PolarHBondContact O-N 3.02Å
129I96.6Very high92.7Very high85 Ų8588.5 Ų88.544%0.43645%0.453SS..EExtended strand (participates in β ladder)trans-88107.6-179.3-56.9176.2000107.4G94 R95G94-I129 CarbonylContact C-O 3.57Å; G94-I129 WeakPolarHBondContact CA-O 3.32Å; R95-I129 PolarHBondContact N-O 3.05Å; R95-I129 PolarHBondContact O-N 3.18Å
130G93.9Very high92.5Very high38 Ų3893.8 Ų93.839%0.39247%0.474SS..PPolyproline II helixtrans-64.8147.7178.500000112.1N93 V128N93-G130 WeakPolarHBondContact O-CA 3.26Å; V128-G130 PolarHBondContact O-N 3.02Å
131D87.5Confident92.2Very high78 Ų7899.1 Ų99.142%0.41749%0.486SS..PPolyproline II helixtrans-60.6142.9172-62.1-47.5000109.7Y58 I133Y58-D131 VanDerWaalsContact CE2-OD2 3.26Å; Y58-D131 WeakPolarHBondContact CE2-OD2 3.25Å; Y58-D131 PolarHBondContact OH-OD2 3.32Å; D131-I133 PolarHBondContact O-N 3.13Å
132P86.4Confident91.9Very high119 Ų119105.3 Ų105.377%0.77352%0.518SS*.PPolyproline II helixtrans-58.3118176.824.3-32.8000109.5E134P132-E134 PolarHBondContact O-N 2.91Å
133I86.4Confident91.4Very high157 Ų157108.1 Ų108.181%0.80554%0.541SS*.  trans-79.2103.2177.3-55.2175.9000107.3D131 P135D131-I133 PolarHBondContact O-N 3.13Å; I133-P135 WeakPolarHBondContact O-CD 3.48Å
134E86.2Confident91.2Very high164 Ų164109.8 Ų109.877%0.76655%0.552SS**  trans-74.7112.1166.7-68.2-174.818000108.9P132 V136P132-E134 PolarHBondContact O-N 2.91Å; E134-V136 PolarHBondContact O-N 2.84Å
135P85.6Confident91Very high78 Ų78113.2 Ų113.251%0.50657%0.566SS.*  trans-67.6109.8-179.627.7-33.7000109.7I133 Y137I133-P135 WeakPolarHBondContact O-CD 3.48Å; P135-Y137 HydrophobicContact CB-CE1 4.3Å; P135-Y137 HydrophobicContact CB-CE2 3.84Å; P135-Y137 HydrophobicContact CG-CE2 3.64Å; P135-Y137 VanDerWaalsContact O-CD2 3.32Å; P135-Y137 WeakPolarHBondContact O-CD2 3.29Å; P135-Y137 PolarHBondContact O-N 2.79Å; P135-Y137 VanDerWaalsContact O-N 3.13Å
136V88.9Confident90.6Very high117 Ų117118.1 Ų118.171%0.70959%0.591SS**  trans-79.696.2173.2-176.30000109.1E134 K138E134-V136 PolarHBondContact O-N 2.84Å; V136-K138 HydrophobicContact CG1-CG 4.24Å; V136-K138 PolarHBondContact O-N 3.06Å
137Y89Confident90.2Very high204 Ų204125.1 Ų125.180%0.863%0.626SS**  trans-74.3123.3172.1-56.8-77.4000110.1P135P135-Y137 HydrophobicContact CB-CE1 4.3Å; P135-Y137 HydrophobicContact CB-CE2 3.84Å; P135-Y137 HydrophobicContact CG-CE2 3.64Å; P135-Y137 VanDerWaalsContact O-CD2 3.32Å; P135-Y137 WeakPolarHBondContact O-CD2 3.29Å; P135-Y137 PolarHBondContact O-N 2.79Å; P135-Y137 VanDerWaalsContact O-N 3.13Å
138K90.1Very high89.7Confident173 Ų173131.7 Ų131.775%0.75266%0.66SS**  trans-113.4127172.5-65.5-175.6-179.3179.80109.5V136 K140V136-K138 HydrophobicContact CG1-CG 4.24Å; V136-K138 PolarHBondContact O-N 3.06Å; K138-K140 PolarHBondContact O-N 3.28Å
139L91.4Very high89.1Confident142 Ų142140.5 Ų140.574%0.74370%0.704SS**  trans-61120.4170.3-171.285.5000108.7I142L139-I142 HydrophobicContact CD2-CD1 4.29Å; L139-I142 HydrophobicContact CD2-CG1 3.6Å
140K91.3Very high88.6Confident208 Ų208144.4 Ų144.490%0.90472%0.723SS**  trans-86-30.1-179.9-70.4-173.2177.6179.80113.4K138K138-K140 PolarHBondContact O-N 3.28Å
141R89.5Confident88.2Confident190 Ų190152.6 Ų152.672%0.71775%0.749SS**  trans-161.6149.8178.761.3-177.3-173.4168.73.3111.8
142I88.3Confident88.2Confident152 Ų152158.8 Ų158.878%0.77978%0.776SS**  trans-96.8129.5163.4-59.1170.2000105.7L139L139-I142 HydrophobicContact CD2-CD1 4.29Å; L139-I142 HydrophobicContact CD2-CG1 3.6Å
143L85.4Confident88.4Confident202 Ų202162.5 Ų162.5100%1.05878%0.776SS**  trans-810174.5-71.7174.8000110.8

Retrieved 143 of 143 residues in 27.6 ms (Link to these results)