A0A3Q0KKP5_SCHMA Loading...

Transmembrane 9 superfamily member

AlphaFold DB , UniProt , Accession A0A3Q0KKP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 64 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
1M44.3Very low59.4Low237 Ų23763.1 Ų63.1100%1.16733%0.329SS*.  0114.70-82.4170.3150.800108I3M1-I3 PolarHBondContact O-N 3.02Å
2S52.6Low59.5Low110 Ų11061.6 Ų61.677%0.76932%0.318SS*.  trans-63.3119175.9-52.80000108.7G4S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.28Å
3I56.6Low59.3Low99 Ų9971.7 Ų71.751%0.50835%0.35SS..  trans-72.188.1177.2-60.7164.8000106.4M1 F49M1-I3 PolarHBondContact O-N 3.02Å; I3-F49 HydrophobicContact CG2-CB 4.45Å
4G63.1Low58.9Low7 Ų771.1 Ų71.17%0.07235%0.349CS..  trans-74.3140.3176.500000110.4S2 Y6 F49S2-G4 VanDerWaalsContact C-N 3.27Å; S2-G4 PolarHBondContact O-N 3.28Å; G4-Y6 WeakPolarHBondContact O-CD2 3.46Å; G4-F49 WeakPolarHBondContact O-CD2 3.33Å
5T61.3Low58.6Low26 Ų2674.9 Ų74.916%0.1636%0.363CS..EExtended strand (participates in β ladder)trans-90.3129.8161.1-56.70000107.6K27 L46 H48T5-K27 HydrophobicContact CG2-CB 4.39Å; T5-K27 HydrophobicContact CG2-CD 4.08Å; T5-K27 WeakPolarHBondContact O-CB 3.24Å; T5-K27 PolarHBondContact O-N 3.03Å; T5-K27 VanDerWaalsContact O-N 3.14Å; T5-L46 HydrophobicContact CG2-CD1 3.36Å; T5-L46 HydrophobicContact CG2-CD2 4.47Å; T5-L46 HydrophobicContact CG2-CG 3.92Å; T5-H48 WeakPolarHBondContact CG2-CE1 3.23Å; T5-H48 PolarHBondContact OG1-CE1 3.22Å; T5-H48 VanDerWaalsContact OG1-CE1 3.28Å; T5-H48 PolarHBondContact OG1-ND1 3.41Å; T5-H48 VanDerWaalsContact OG1-ND1 3.16Å
6Y62.1Low58.4Low73 Ų7379.1 Ų79.129%0.28639%0.388SS..EExtended strand (participates in β ladder)trans-117.2141.9-179.7-64.5-104.4000109G4 V24 Y25 M47 F49G4-Y6 WeakPolarHBondContact O-CD2 3.46Å; Y6-V24 HydrophobicContact CD1-CG1 4.14Å; Y6-Y25 CarbonylContact C-O 3.49Å; Y6-Y25 WeakPolarHBondContact CA-O 3.2Å; Y6-M47 PolarHBondContact N-O 3.03Å; Y6-M47 PolarHBondContact O-N 2.77Å; Y6-F49 AromaticContact CD2-CD2 3.85Å; Y6-F49 HydrophobicContact CD2-CD2 3.85Å; Y6-F49 AromaticContact CD2-CE2 3.32Å; Y6-F49 HydrophobicContact CD2-CE2 3.32Å; Y6-F49 HydrophobicContact CD2-CZ 4.42Å; Y6-F49 AromaticContact CE2-CD2 3.74Å; Y6-F49 HydrophobicContact CE2-CD2 3.74Å; Y6-F49 AromaticContact CE2-CE2 3.08Å; Y6-F49 HydrophobicContact CE2-CE2 3.08Å; Y6-F49 AromaticContact CE2-CZ 3.95Å; Y6-F49 HydrophobicContact CE2-CZ 3.95Å; Y6-F49 HydrophobicContact CG-CE2 4.35Å; Y6-F49 AromaticContact CZ-CE2 3.96Å
7I64.5Low58Low6 Ų681.4 Ų81.43%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-110.6112.1173.9-61.1175.6000105.9I9 Y25 L30 V44 V45 L46I7-I9 HydrophobicContact CG2-CG1 4.18Å; I7-Y25 CarbonylContact C-O 3.48Å; I7-Y25 PolarHBondContact N-O 2.8Å; I7-Y25 CarbonylContact O-C 3.52Å; I7-Y25 WeakPolarHBondContact O-CA 3.37Å; I7-Y25 PolarHBondContact O-N 3Å; I7-L30 HydrophobicContact CD1-CB 4.43Å; I7-L30 HydrophobicContact CD1-CD1 3.45Å; I7-L30 VanDerWaalsContact CD1-CD1 3.45Å; I7-L30 HydrophobicContact CD1-CG 3.99Å; I7-V44 HydrophobicContact CG2-CG1 3.54Å; I7-V45 WeakPolarHBondContact CA-O 3.17Å; I7-L46 HydrophobicContact CD1-CD1 4.38Å; I7-L46 HydrophobicContact CG1-CD1 3.61Å
8I65.9Low57.4Low16 Ų1687 Ų878%0.08242%0.422CS..EExtended strand (participates in β ladder)trans-96.1125.2173.6-53.7-174.9000107.1W10 P21 V24 V45 M47I8-W10 HydrophobicContact CG2-CD2 4.38Å; I8-W10 HydrophobicContact CG2-CG 4.45Å; I8-W10 HydrophobicContact CG2-CZ2 4.27Å; I8-P21 HydrophobicContact CG2-CB 4.5Å; I8-V24 HydrophobicContact CD1-CG2 4.17Å; I8-V24 HydrophobicContact CG1-CB 4.47Å; I8-V24 HydrophobicContact CG1-CG1 4.11Å; I8-V24 HydrophobicContact CG1-CG2 4.03Å; I8-V24 HydrophobicContact CG2-CG2 4.17Å; I8-V45 PolarHBondContact N-O 2.89Å; I8-V45 PolarHBondContact O-N 3.14Å; I8-M47 HydrophobicContact CD1-CE 3.87Å; I8-M47 HydrophobicContact CD1-CG 3.8Å; I8-M47 HydrophobicContact CD1-SD 4.4Å; I8-M47 HydrophobicContact CG1-CG 4.18Å
9I63.9Low56.8Low15 Ų1589.8 Ų89.88%0.07744%0.436CS..EExtended strand (participates in β ladder)trans-104.9118.3174.8-56.7178.6000106.9I7 L23 Y25 M42 V44I7-I9 HydrophobicContact CG2-CG1 4.18Å; I9-L23 PolarHBondContact N-O 3.01Å; I9-Y25 HydrophobicContact CD1-CD2 3.89Å; I9-Y25 HydrophobicContact CD1-CE2 4.13Å; I9-Y25 HydrophobicContact CG1-CD2 4.25Å; I9-M42 HydrophobicContact CG2-CE 3.25Å; I9-M42 HydrophobicContact CG2-CG 4.11Å; I9-M42 HydrophobicContact CG2-SD 3.59Å; I9-M42 VanDerWaalsContact CG2-SD 3.59Å; I9-V44 HydrophobicContact CG1-CG1 4.48Å; I9-V44 HydrophobicContact CG1-CG2 4.4Å
10W60.1Low56.4Low59 Ų5991.7 Ų91.722%0.22345%0.448CS..EExtended strand (participates in β ladder)trans-99.3123.9175.6-52.972000107.3I8 F12 M19 P21 M42 A43I8-W10 HydrophobicContact CG2-CD2 4.38Å; I8-W10 HydrophobicContact CG2-CG 4.45Å; I8-W10 HydrophobicContact CG2-CZ2 4.27Å; W10-F12 HydrophobicContact CB-CD1 4.35Å; W10-M19 HydrophobicContact CE3-CB 3.75Å; W10-M19 HydrophobicContact CE3-CG 4.43Å; W10-M19 HydrophobicContact CE3-SD 4.42Å; W10-M19 HydrophobicContact CH2-CB 4.38Å; W10-M19 HydrophobicContact CH2-SD 4.45Å; W10-M19 HydrophobicContact CZ3-CB 3.39Å; W10-M19 HydrophobicContact CZ3-CG 4.28Å; W10-M19 HydrophobicContact CZ3-SD 4.13Å; W10-P21 HydrophobicContact CE3-CB 4.32Å; W10-P21 HydrophobicContact CH2-CB 4.3Å; W10-P21 HydrophobicContact CZ3-CB 4.01Å; W10-M42 CarbonylContact O-C 3.53Å; W10-M42 VanDerWaalsContact O-CA 3.24Å; W10-M42 WeakPolarHBondContact O-CA 3.47Å; W10-A43 HydrophobicContact CB-CB 4.31Å; W10-A43 PolarHBondContact N-O 3.09Å; W10-A43 PolarHBondContact O-N 2.97Å
11D59.3Low56.1Low46 Ų4690.3 Ų90.325%0.24645%0.447CS..EExtended strand (participates in β ladder)trans-115.5118.3171.9-176.7-20.5000107.4Y33 H40 M42D11-Y33 PolarHBondContact OD2-OH 2.81Å; D11-H40 WeakPolarHBondContact OD1-CB 3.29Å; D11-H40 IonicContact OD1-CD2 3.99Å; D11-H40 PolarHBondContact OD1-CD2 2.68Å; D11-H40 IonicContact OD1-CG 3.89Å; D11-H40 IonicContact OD1-ND1 3.17Å; D11-H40 IonicContact OD2-CG 3.98Å; D11-M42 HydrophobicContact CB-CE 4.15Å
12F59.8Low56.3Low45 Ų4581.1 Ų81.120%0.19741%0.413CS..EExtended strand (participates in β ladder)trans-128.3131.5-179.648.5-86.5000111.6W10 N14 K15 H40 S41 A43W10-F12 HydrophobicContact CB-CD1 4.35Å; F12-N14 VanDerWaalsContact C-N 3.26Å; F12-N14 PolarHBondContact O-N 2.89Å; F12-K15 HydrophobicContact CD2-CB 4.49Å; F12-K15 HydrophobicContact CD2-CG 3.96Å; F12-K15 HydrophobicContact CE2-CB 4.23Å; F12-K15 HydrophobicContact CE2-CD 4.41Å; F12-K15 HydrophobicContact CE2-CG 3.34Å; F12-K15 HydrophobicContact CZ-CG 4.32Å; F12-H40 WeakPolarHBondContact O-CA 3.28Å; F12-S41 VanDerWaalsContact CD1-O 3.28Å; F12-S41 WeakPolarHBondContact CD1-O 3.3Å; F12-S41 VanDerWaalsContact CD2-CB 3.42Å; F12-S41 WeakPolarHBondContact CE1-O 3.49Å; F12-S41 WeakPolarHBondContact CG-O 3.35Å; F12-S41 VanDerWaalsContact CZ-CB 3.49Å; F12-S41 PolarHBondContact N-O 3.16Å; F12-S41 PolarHBondContact O-N 3.28Å; F12-S41 VanDerWaalsContact O-O 3.11Å; F12-A43 HydrophobicContact CE1-CB 3.98Å
13R57.1Low56.2Low193 Ų19380 Ų8073%0.72840%0.398SS*.SBendtrans-68.3-27.8171.8-75.8174.9-174.3-140.20.6112.7H40R13-H40 WeakPolarHBondContact CG-CD2 3.48Å; R13-H40 WeakPolarHBondContact CG-NE2 3.14Å; R13-H40 PolarHBondContact NE-NE2 2.88Å
14N54.2Low55.8Low64 Ų6479.4 Ų79.434%0.34240%0.399SS..SBendtrans-146.6126.9-176.4-177.9-11000108.4F12 N16 E17F12-N14 VanDerWaalsContact C-N 3.26Å; F12-N14 PolarHBondContact O-N 2.89Å; N14-N16 PolarHBondContact O-N 3.47Å; N14-N16 WeakPolarHBondContact OD1-CB 3.34Å; N14-N16 PolarHBondContact OD1-N 3.05Å; N14-N16 PolarHBondContact OD1-ND2 3.32Å; N14-E17 HydrophobicContact CB-CB 4.21Å; N14-E17 HydrophobicContact CB-CG 3.86Å; N14-E17 PolarHBondContact O-N 2.96Å
15K54.3Low55Low127 Ų12781.5 Ų81.555%0.55241%0.405SS*.THydrogen-bonded Turntrans-54.5-21.1176.5-76.2173.3-172.2178.70113.6F12 S41 D60F12-K15 HydrophobicContact CD2-CB 4.49Å; F12-K15 HydrophobicContact CD2-CG 3.96Å; F12-K15 HydrophobicContact CE2-CB 4.23Å; F12-K15 HydrophobicContact CE2-CD 4.41Å; F12-K15 HydrophobicContact CE2-CG 3.34Å; F12-K15 HydrophobicContact CZ-CG 4.32Å; K15-S41 WeakPolarHBondContact CE-OG 3.43Å; K15-D60 WeakPolarHBondContact CE-OD2 3.48Å; K15-D60 IonicContact NZ-OD2 2.68Å; K15-D60 PolarHBondContact NZ-OD2 2.89Å
16N54.8Low54.3Low143 Ų14386.1 Ų86.177%0.76542%0.419SS*.THydrogen-bonded Turntrans-97.3-9.8-178.3-54.2-68.8000114N14N14-N16 PolarHBondContact O-N 3.47Å; N14-N16 WeakPolarHBondContact OD1-CB 3.34Å; N14-N16 PolarHBondContact OD1-N 3.05Å; N14-N16 PolarHBondContact OD1-ND2 3.32Å
17E51.3Low53.6Low117 Ų11788.5 Ų88.555%0.54743%0.431SS..SBendtrans-78.9141.4176.9-77.6178.3-174.700110.2N14 M19N14-E17 HydrophobicContact CB-CB 4.21Å; N14-E17 HydrophobicContact CB-CG 3.86Å; N14-E17 PolarHBondContact O-N 2.96Å; E17-M19 PolarHBondContact O-N 3.27Å
18H48.2Very low52.7Low183 Ų18394 Ų9485%0.84746%0.461SS*.  trans-50.1128.1-175.8-165.597.5000110.4D20H18-D20 PolarHBondContact O-N 2.76Å
19M46.1Very low51.6Low140 Ų140100.7 Ų100.769%0.6949%0.486SS*.  trans-66.194.6-174.3-59.6-176.1157.900110.7W10 E17W10-M19 HydrophobicContact CE3-CB 3.75Å; W10-M19 HydrophobicContact CE3-CG 4.43Å; W10-M19 HydrophobicContact CE3-SD 4.42Å; W10-M19 HydrophobicContact CH2-CB 4.38Å; W10-M19 HydrophobicContact CH2-SD 4.45Å; W10-M19 HydrophobicContact CZ3-CB 3.39Å; W10-M19 HydrophobicContact CZ3-CG 4.28Å; W10-M19 HydrophobicContact CZ3-SD 4.13Å; E17-M19 PolarHBondContact O-N 3.27Å
20D48.7Very low50.8Low127 Ų127106 Ų10668%0.67951%0.514SS*.  trans-86.2117167.1-159.1-87.8000107.8H18 G22H18-D20 PolarHBondContact O-N 2.76Å; D20-G22 VanDerWaalsContact C-N 3.31Å; D20-G22 PolarHBondContact O-N 2.75Å
21P49.1Very low50.1Low63 Ų63107.2 Ų107.241%0.40952%0.524SS..  trans-7090.5-178.428.4-33.1000109I8 W10 L23I8-P21 HydrophobicContact CG2-CB 4.5Å; W10-P21 HydrophobicContact CE3-CB 4.32Å; W10-P21 HydrophobicContact CH2-CB 4.3Å; W10-P21 HydrophobicContact CZ3-CB 4.01Å; P21-L23 VanDerWaalsContact C-N 3.3Å; P21-L23 PolarHBondContact O-N 2.79Å
22G49.6Very low49.5Very low45 Ų45111.1 Ų111.146%0.46454%0.544SS..  trans-52-46.7-174.200000112.7D20D20-G22 VanDerWaalsContact C-N 3.31Å; D20-G22 PolarHBondContact O-N 2.75Å
23L49.5Very low49Very low86 Ų86113.2 Ų113.245%0.4555%0.552SS.*EExtended strand (participates in β ladder)trans-151.9125.9-176.4-67.9161.9000112.7I9 P21 Y25I9-L23 PolarHBondContact N-O 3.01Å; P21-L23 VanDerWaalsContact C-N 3.3Å; P21-L23 PolarHBondContact O-N 2.79Å; L23-Y25 HydrophobicContact CB-CD2 4.2Å; L23-Y25 HydrophobicContact CB-CE2 3.52Å; L23-Y25 HydrophobicContact CD1-CE2 4.12Å; L23-Y25 WeakPolarHBondContact CD1-OH 3.2Å; L23-Y25 HydrophobicContact CG-CE2 4.31Å
24V48.3Very low48.4Very low86 Ų86110 Ų11052%0.52155%0.545SS..EExtended strand (participates in β ladder)trans-100115.1171.5177.80000109.3Y6 I8Y6-V24 HydrophobicContact CD1-CG1 4.14Å; I8-V24 HydrophobicContact CD1-CG2 4.17Å; I8-V24 HydrophobicContact CG1-CB 4.47Å; I8-V24 HydrophobicContact CG1-CG1 4.11Å; I8-V24 HydrophobicContact CG1-CG2 4.03Å; I8-V24 HydrophobicContact CG2-CG2 4.17Å
25Y48.1Very low48.1Very low52 Ų52108.6 Ų108.620%0.20454%0.54CS..EExtended strand (participates in β ladder)trans-103147.6173.7-68-78.8000111.6Y6 I7 I9 L23 I31Y6-Y25 CarbonylContact C-O 3.49Å; Y6-Y25 WeakPolarHBondContact CA-O 3.2Å; I7-Y25 CarbonylContact C-O 3.48Å; I7-Y25 PolarHBondContact N-O 2.8Å; I7-Y25 CarbonylContact O-C 3.52Å; I7-Y25 WeakPolarHBondContact O-CA 3.37Å; I7-Y25 PolarHBondContact O-N 3Å; I9-Y25 HydrophobicContact CD1-CD2 3.89Å; I9-Y25 HydrophobicContact CD1-CE2 4.13Å; I9-Y25 HydrophobicContact CG1-CD2 4.25Å; L23-Y25 HydrophobicContact CB-CD2 4.2Å; L23-Y25 HydrophobicContact CB-CE2 3.52Å; L23-Y25 HydrophobicContact CD1-CE2 4.12Å; L23-Y25 WeakPolarHBondContact CD1-OH 3.2Å; L23-Y25 HydrophobicContact CG-CE2 4.31Å; Y25-I31 HydrophobicContact CD1-CD1 4.21Å; Y25-I31 HydrophobicContact CD1-CG1 4.44Å; Y25-I31 HydrophobicContact CE1-CD1 3.39Å; Y25-I31 HydrophobicContact CE1-CG1 4.05Å
26R45Very low47.7Very low122 Ų122111 Ų11146%0.4655%0.551SS.*EExtended strand (participates in β ladder)trans-83.7144.2166.1-170.2174.9178172.7-0.5108D28 Y29R26-D28 IonicContact NE-OD2 3.41Å; R26-D28 PolarHBondContact O-N 2.81Å; R26-Y29 HydrophobicContact CB-CD2 4.47Å; R26-Y29 PolarHBondContact O-N 2.79Å
27K47.2Very low47.3Very low124 Ų124110.7 Ų110.754%0.53955%0.549SS..G310 helixtrans-42.7-30.7-175.1-177.1176.9175.8176.80115.4T5 Y29T5-K27 HydrophobicContact CG2-CB 4.39Å; T5-K27 HydrophobicContact CG2-CD 4.08Å; T5-K27 WeakPolarHBondContact O-CB 3.24Å; T5-K27 PolarHBondContact O-N 3.03Å; T5-K27 VanDerWaalsContact O-N 3.14Å; K27-Y29 PolarHBondContact O-N 2.84Å
28D46.1Very low47.2Very low122 Ų122106.8 Ų106.865%0.65253%0.534SS*.G310 helixtrans-74.1-9.1-179.6-48.8-51.1000114.2R26R26-D28 IonicContact NE-OD2 3.41Å; R26-D28 PolarHBondContact O-N 2.81Å
29Y42.6Very low47.6Very low156 Ų156106.5 Ų106.561%0.61253%0.53SS*.G310 helixtrans-123.350.1-178.4-61.7-84.9000111.4R26 K27 I31R26-Y29 HydrophobicContact CB-CD2 4.47Å; R26-Y29 PolarHBondContact O-N 2.79Å; K27-Y29 PolarHBondContact O-N 2.84Å; Y29-I31 PolarHBondContact O-N 2.82Å
30L47.3Very low48.1Very low126 Ų126101.2 Ų101.266%0.6650%0.504SS*.  trans-68.384170.6-151.8150.4000108I7 N32I7-L30 HydrophobicContact CD1-CB 4.43Å; I7-L30 HydrophobicContact CD1-CD1 3.45Å; I7-L30 VanDerWaalsContact CD1-CD1 3.45Å; I7-L30 HydrophobicContact CD1-CG 3.99Å; L30-N32 PolarHBondContact O-N 2.84Å
31I46.1Very low48.6Very low85 Ų8595.7 Ų95.744%0.43648%0.475SS..  trans-67.6125.5174.1-59.6-175.6000106.1Y25 Y29 Y33Y25-I31 HydrophobicContact CD1-CD1 4.21Å; Y25-I31 HydrophobicContact CD1-CG1 4.44Å; Y25-I31 HydrophobicContact CE1-CD1 3.39Å; Y25-I31 HydrophobicContact CE1-CG1 4.05Å; Y29-I31 PolarHBondContact O-N 2.82Å; I31-Y33 VanDerWaalsContact C-N 3.25Å; I31-Y33 PolarHBondContact O-N 3.21Å
32N46.1Very low49.1Very low127 Ų12793.9 Ų93.968%0.67946%0.462SS*.  trans-5994.6166.2-171.721.4000107.3L30 E34L30-N32 PolarHBondContact O-N 2.84Å; N32-E34 PolarHBondContact O-N 2.87Å; N32-E34 VanDerWaalsContact O-N 3.12Å
33Y48.6Very low49.7Very low89 Ų8992.2 Ų92.235%0.34944%0.443SS..  trans-78.695.7178.1-174.8-90.4000107.9D11 I31 S35 M42D11-Y33 PolarHBondContact OD2-OH 2.81Å; I31-Y33 VanDerWaalsContact C-N 3.25Å; I31-Y33 PolarHBondContact O-N 3.21Å; Y33-S35 PolarHBondContact O-N 2.8Å; Y33-M42 HydrophobicContact CD1-CE 3.02Å; Y33-M42 HydrophobicContact CD1-SD 3.64Å; Y33-M42 HydrophobicContact CD2-CE 4.33Å; Y33-M42 HydrophobicContact CE1-CE 3.1Å; Y33-M42 HydrophobicContact CE1-SD 4.22Å; Y33-M42 HydrophobicContact CE2-CE 4.41Å; Y33-M42 HydrophobicContact CG-CE 3.68Å; Y33-M42 HydrophobicContact CG-SD 4.26Å
34E45.4Very low50.4Low127 Ų12789.1 Ų89.159%0.59343%0.428SS*.  trans-81.4109166.3-71.3-174161.100108.6N32 K36N32-E34 PolarHBondContact O-N 2.87Å; N32-E34 VanDerWaalsContact O-N 3.12Å; E34-K36 VanDerWaalsContact C-N 3.34Å; E34-K36 PolarHBondContact O-N 2.87Å
35S47.2Very low51Low33 Ų3385.9 Ų85.923%0.23141%0.408CS..  trans-62.894.9167.8163.60000109Y33 N37 C38Y33-S35 PolarHBondContact O-N 2.8Å; S35-N37 VanDerWaalsContact C-N 3.26Å; S35-N37 PolarHBondContact O-N 3.3Å; S35-C38 PolarHBondContact O-SG 2.82Å; S35-C38 VanDerWaalsContact O-SG 3.41Å
36K46.3Very low51.7Low178 Ų17884.8 Ų84.877%0.77441%0.406SS*.SBendtrans-72.7-14.3-177.8-70.2-169.5177.3-176.30114.3E34E34-K36 VanDerWaalsContact C-N 3.34Å; E34-K36 PolarHBondContact O-N 2.87Å
37N47.2Very low52.5Low136 Ų13682.7 Ų82.773%0.72740%0.402SS*.SBendtrans-140.287-178.4-82-30.9000110.2S35 K39 H40S35-N37 VanDerWaalsContact C-N 3.26Å; S35-N37 PolarHBondContact O-N 3.3Å; N37-K39 PolarHBondContact O-N 3.41Å; N37-H40 PolarHBondContact O-ND1 3.27Å
38C48.7Very low53.2Low36 Ų3679.7 Ų79.724%0.24339%0.39CS..  trans-71.773.5-166.8-64.60000115.6S35 C61 H63S35-C38 PolarHBondContact O-SG 2.82Å; S35-C38 VanDerWaalsContact O-SG 3.41Å; C38-C61 HydrophobicContact CB-CB 3.74Å; C38-C61 VanDerWaalsContact SG-SG 3.65Å; C38-H63 WeakPolarHBondContact CB-CD2 3.45Å; C38-H63 VanDerWaalsContact CB-NE2 3.33Å; C38-H63 WeakPolarHBondContact CB-NE2 3.45Å
39K55.8Low53.6Low176 Ų17681 Ų8177%0.76539%0.39SS*.  trans-122.633.2159.7-68.1-169.8178.1-172.90111.3N37N37-K39 PolarHBondContact O-N 3.41Å
40H58.1Low54.4Low30 Ų3082.9 Ų82.914%0.13940%0.396CS..  trans-130.9130.5-166.7-65.6126.8000109.7D11 F12 R13 N37 C61D11-H40 WeakPolarHBondContact OD1-CB 3.29Å; D11-H40 IonicContact OD1-CD2 3.99Å; D11-H40 PolarHBondContact OD1-CD2 2.68Å; D11-H40 IonicContact OD1-CG 3.89Å; D11-H40 IonicContact OD1-ND1 3.17Å; D11-H40 IonicContact OD2-CG 3.98Å; F12-H40 WeakPolarHBondContact O-CA 3.28Å; R13-H40 WeakPolarHBondContact CG-CD2 3.48Å; R13-H40 WeakPolarHBondContact CG-NE2 3.14Å; R13-H40 PolarHBondContact NE-NE2 2.88Å; N37-H40 PolarHBondContact O-ND1 3.27Å; H40-C61 VanDerWaalsContact O-CB 3.29Å; H40-C61 WeakPolarHBondContact O-CB 3.15Å; H40-C61 PolarHBondContact O-N 3.38Å
41S57.5Low54.8Low10 Ų1083.4 Ų83.47%0.0740%0.395CS..EExtended strand (participates in β ladder)trans-91.2136.9160.9-79.80000107.8F12 K15 H59 D60F12-S41 VanDerWaalsContact CD1-O 3.28Å; F12-S41 WeakPolarHBondContact CD1-O 3.3Å; F12-S41 VanDerWaalsContact CD2-CB 3.42Å; F12-S41 WeakPolarHBondContact CE1-O 3.49Å; F12-S41 WeakPolarHBondContact CG-O 3.35Å; F12-S41 VanDerWaalsContact CZ-CB 3.49Å; F12-S41 PolarHBondContact N-O 3.16Å; F12-S41 PolarHBondContact O-N 3.28Å; F12-S41 VanDerWaalsContact O-O 3.11Å; K15-S41 WeakPolarHBondContact CE-OG 3.43Å; S41-H59 CarbonylContact C-O 3.54Å; S41-H59 WeakPolarHBondContact CA-O 3.09Å; S41-D60 PolarHBondContact OG-OD1 3.22Å
42M60.7Low55.3Low26 Ų2685.2 Ų85.213%0.12841%0.41CS..EExtended strand (participates in β ladder)trans-117.6142-179.2167.7162.1-71.700110.2I9 W10 D11 Y33 V44 E58 H59I9-M42 HydrophobicContact CG2-CE 3.25Å; I9-M42 HydrophobicContact CG2-CG 4.11Å; I9-M42 HydrophobicContact CG2-SD 3.59Å; I9-M42 VanDerWaalsContact CG2-SD 3.59Å; W10-M42 CarbonylContact O-C 3.53Å; W10-M42 VanDerWaalsContact O-CA 3.24Å; W10-M42 WeakPolarHBondContact O-CA 3.47Å; D11-M42 HydrophobicContact CB-CE 4.15Å; Y33-M42 HydrophobicContact CD1-CE 3.02Å; Y33-M42 HydrophobicContact CD1-SD 3.64Å; Y33-M42 HydrophobicContact CD2-CE 4.33Å; Y33-M42 HydrophobicContact CE1-CE 3.1Å; Y33-M42 HydrophobicContact CE1-SD 4.22Å; Y33-M42 HydrophobicContact CE2-CE 4.41Å; Y33-M42 HydrophobicContact CG-CE 3.68Å; Y33-M42 HydrophobicContact CG-SD 4.26Å; M42-V44 HydrophobicContact CG-CG2 4.37Å; M42-V44 HydrophobicContact SD-CG2 4.39Å; M42-E58 CarbonylContact O-C 3.55Å; M42-E58 WeakPolarHBondContact O-CA 3.33Å; M42-H59 HydrophobicContact CB-CB 4.45Å; M42-H59 PolarHBondContact N-O 3.44Å; M42-H59 PolarHBondContact O-N 2.81Å
43A62.5Low55.8Low9 Ų982.3 Ų82.37%0.07440%0.398CS..EExtended strand (participates in β ladder)trans-125.8127.9166.200000110.4W10 F12 Q57 E58W10-A43 HydrophobicContact CB-CB 4.31Å; W10-A43 PolarHBondContact N-O 3.09Å; W10-A43 PolarHBondContact O-N 2.97Å; F12-A43 HydrophobicContact CE1-CB 3.98Å; A43-Q57 CarbonylContact C-O 3.52Å; A43-Q57 WeakPolarHBondContact CA-O 3.38Å; A43-E58 HydrophobicContact CB-CG 4.27Å
44V63Low56.3Low22 Ų2281.6 Ų81.613%0.13340%0.403CS..EExtended strand (participates in β ladder)trans-100.1120.3172.5-177.60000108.3I7 I9 M42 I55 L56 Q57I7-V44 HydrophobicContact CG2-CG1 3.54Å; I9-V44 HydrophobicContact CG1-CG1 4.48Å; I9-V44 HydrophobicContact CG1-CG2 4.4Å; M42-V44 HydrophobicContact CG-CG2 4.37Å; M42-V44 HydrophobicContact SD-CG2 4.39Å; V44-I55 CarbonylContact O-C 3.55Å; V44-I55 WeakPolarHBondContact O-CA 3.45Å; V44-L56 HydrophobicContact CB-CB 4.36Å; V44-L56 HydrophobicContact CG1-CB 4.27Å; V44-L56 HydrophobicContact CG1-CD1 4.17Å; V44-L56 PolarHBondContact O-N 2.83Å; V44-Q57 PolarHBondContact N-O 2.78Å
45V61.6Low57.1Low17 Ų1780.1 Ų80.110%0.10340%0.398CS..EExtended strand (participates in β ladder)trans-117.5120.7-177.7-175.10000110.4I7 I8 M47 P53 T54 I55I7-V45 WeakPolarHBondContact CA-O 3.17Å; I8-V45 PolarHBondContact N-O 2.89Å; I8-V45 PolarHBondContact O-N 3.14Å; V45-M47 HydrophobicContact CG1-CG 4.22Å; V45-P53 HydrophobicContact CG1-CB 3.43Å; V45-P53 VanDerWaalsContact CG1-CB 3.43Å; V45-T54 WeakPolarHBondContact CA-O 3.39Å; V45-I55 HydrophobicContact CG2-CG1 4.21Å
46L63.7Low57.8Low30 Ų3082.9 Ų82.916%0.15741%0.41CS..EExtended strand (participates in β ladder)trans-86.3112.7172.2-167.869.2000109.6T5 I7 H48 P53 T54 L56T5-L46 HydrophobicContact CG2-CD1 3.36Å; T5-L46 HydrophobicContact CG2-CD2 4.47Å; T5-L46 HydrophobicContact CG2-CG 3.92Å; I7-L46 HydrophobicContact CD1-CD1 4.38Å; I7-L46 HydrophobicContact CG1-CD1 3.61Å; L46-H48 WeakPolarHBondContact CD2-NE2 3.38Å; L46-P53 VanDerWaalsContact O-CA 3.3Å; L46-P53 WeakPolarHBondContact O-CA 3.39Å; L46-T54 PolarHBondContact N-O 2.75Å; L46-T54 PolarHBondContact O-N 3.35Å; L46-L56 HydrophobicContact CB-CD1 3.89Å; L46-L56 HydrophobicContact CB-CG 4.08Å; L46-L56 HydrophobicContact CD1-CD1 4.4Å
47M61.3Low58.5Low77 Ų7781 Ų8138%0.37940%0.404SS..EExtended strand (participates in β ladder)trans-101.3115.7175.7-67.5-104-75.700109.4Y6 I8 V45 P53Y6-M47 PolarHBondContact N-O 3.03Å; Y6-M47 PolarHBondContact O-N 2.77Å; I8-M47 HydrophobicContact CD1-CE 3.87Å; I8-M47 HydrophobicContact CD1-CG 3.8Å; I8-M47 HydrophobicContact CD1-SD 4.4Å; I8-M47 HydrophobicContact CG1-CG 4.18Å; V45-M47 HydrophobicContact CG1-CG 4.22Å; M47-P53 HydrophobicContact CG-CB 4.24Å; M47-P53 HydrophobicContact SD-CB 3.8Å; M47-P53 HydrophobicContact SD-CG 4.19Å
48H60.9Low59.2Low61 Ų6181.3 Ų81.328%0.28240%0.401SS..EExtended strand (participates in β ladder)trans-99.8132.2163.8-67-87.2000107.9T5 L46 R50 H51T5-H48 WeakPolarHBondContact CG2-CE1 3.23Å; T5-H48 PolarHBondContact OG1-CE1 3.22Å; T5-H48 VanDerWaalsContact OG1-CE1 3.28Å; T5-H48 PolarHBondContact OG1-ND1 3.41Å; T5-H48 VanDerWaalsContact OG1-ND1 3.16Å; L46-H48 WeakPolarHBondContact CD2-NE2 3.38Å; H48-R50 PolarHBondContact O-N 2.56Å; H48-H51 HydrophobicContact CB-CB 3.93Å; H48-H51 PolarHBondContact O-N 3.21Å
49F55.8Low59.8Low149 Ų14984.9 Ų84.965%0.65441%0.414SS*.THydrogen-bonded Turntrans-57.3-1.9177-86.7-104.4000114.9I3 G4 Y6I3-F49 HydrophobicContact CG2-CB 4.45Å; G4-F49 WeakPolarHBondContact O-CD2 3.33Å; Y6-F49 AromaticContact CD2-CD2 3.85Å; Y6-F49 HydrophobicContact CD2-CD2 3.85Å; Y6-F49 AromaticContact CD2-CE2 3.32Å; Y6-F49 HydrophobicContact CD2-CE2 3.32Å; Y6-F49 HydrophobicContact CD2-CZ 4.42Å; Y6-F49 AromaticContact CE2-CD2 3.74Å; Y6-F49 HydrophobicContact CE2-CD2 3.74Å; Y6-F49 AromaticContact CE2-CE2 3.08Å; Y6-F49 HydrophobicContact CE2-CE2 3.08Å; Y6-F49 AromaticContact CE2-CZ 3.95Å; Y6-F49 HydrophobicContact CE2-CZ 3.95Å; Y6-F49 HydrophobicContact CG-CE2 4.35Å; Y6-F49 AromaticContact CZ-CE2 3.96Å
50R58.7Low59.9Low196 Ų19680.6 Ų80.674%0.7440%0.399SS*.THydrogen-bonded Turntrans-131.5-3.5178.2-68.6-173.7175.5-174.8-2.3114.9H48H48-R50 PolarHBondContact O-N 2.56Å
51H54.8Low59.8Low137 Ų13780 Ų8063%0.63440%0.398SS*.EExtended strand (participates in β ladder)trans-128.8153.4-177.1-62.3-129.4000110.1H48H48-H51 HydrophobicContact CB-CB 3.93Å; H48-H51 PolarHBondContact O-N 3.21Å
52V56.7Low59.6Low123 Ų12384.4 Ų84.475%0.74543%0.429SS*.EExtended strand (participates in β ladder)trans-53.4133.2173.1-1780000108.8T54V52-T54 PolarHBondContact O-N 3.14Å
53P58.1Low59.2Low66 Ų6689.8 Ų89.843%0.42945%0.453SS..EExtended strand (participates in β ladder)trans-52.2132.4174.716.5-28.4000110.7V45 L46 M47V45-P53 HydrophobicContact CG1-CB 3.43Å; V45-P53 VanDerWaalsContact CG1-CB 3.43Å; L46-P53 VanDerWaalsContact O-CA 3.3Å; L46-P53 WeakPolarHBondContact O-CA 3.39Å; M47-P53 HydrophobicContact CG-CB 4.24Å; M47-P53 HydrophobicContact SD-CB 3.8Å; M47-P53 HydrophobicContact SD-CG 4.19Å
54T59.2Low58.3Low74 Ų7499.5 Ų99.545%0.45451%0.512SS..EExtended strand (participates in β ladder)trans-104.7120.8175.2-57.10000108.8V45 L46 V52 L56V45-T54 WeakPolarHBondContact CA-O 3.39Å; L46-T54 PolarHBondContact N-O 2.75Å; L46-T54 PolarHBondContact O-N 3.35Å; V52-T54 PolarHBondContact O-N 3.14Å; T54-L56 PolarHBondContact O-N 2.84Å
55I60.6Low58Low96 Ų96103.4 Ų103.449%0.49253%0.531SS..EExtended strand (participates in β ladder)trans-72.1114.4169.3-53.6175.6000106.7V44 V45 E58V44-I55 CarbonylContact O-C 3.55Å; V44-I55 WeakPolarHBondContact O-CA 3.45Å; V45-I55 HydrophobicContact CG2-CG1 4.21Å; I55-E58 HydrophobicContact CG2-CG 3.71Å
56L62.2Low57.8Low92 Ų92107.9 Ų107.948%0.48255%0.554SS.*EExtended strand (participates in β ladder)trans-82.3-40.7-179-73.9172.8000111.5V44 L46 T54V44-L56 HydrophobicContact CB-CB 4.36Å; V44-L56 HydrophobicContact CG1-CB 4.27Å; V44-L56 HydrophobicContact CG1-CD1 4.17Å; V44-L56 PolarHBondContact O-N 2.83Å; L46-L56 HydrophobicContact CB-CD1 3.89Å; L46-L56 HydrophobicContact CB-CG 4.08Å; L46-L56 HydrophobicContact CD1-CD1 4.4Å; T54-L56 PolarHBondContact O-N 2.84Å
57Q61.7Low57.5Low139 Ų139112.3 Ų112.365%0.6558%0.576SS**EExtended strand (participates in β ladder)trans-153134.7-177.1-100.2175.4-20.700110.1A43 V44A43-Q57 CarbonylContact C-O 3.52Å; A43-Q57 WeakPolarHBondContact CA-O 3.38Å; V44-Q57 PolarHBondContact N-O 2.78Å
58E61.2Low57.3Low141 Ų141114.4 Ų114.466%0.65959%0.587SS**EExtended strand (participates in β ladder)trans-111.6128.4161-62.7-171.9140.600107.7M42 A43 I55M42-E58 CarbonylContact O-C 3.55Å; M42-E58 WeakPolarHBondContact O-CA 3.33Å; A43-E58 HydrophobicContact CB-CG 4.27Å; I55-E58 HydrophobicContact CG2-CG 3.71Å
59H62Low57.1Low112 Ų112117.7 Ų117.752%0.51961%0.606SS.*EExtended strand (participates in β ladder)trans-119.4115.2175.2-167.9-76.1000108.7S41 M42 C61S41-H59 CarbonylContact C-O 3.54Å; S41-H59 WeakPolarHBondContact CA-O 3.09Å; M42-H59 HydrophobicContact CB-CB 4.45Å; M42-H59 PolarHBondContact N-O 3.44Å; M42-H59 PolarHBondContact O-N 2.81Å; H59-C61 PolarHBondContact CE1-SG 3.35Å; H59-C61 PolarHBondContact ND1-SG 3.12Å
60D58.5Low57.1Low86 Ų86115.6 Ų115.646%0.4660%0.603SS.*EExtended strand (participates in β ladder)trans-96.999.4172.5-159.8-14.9000108.9K15 S41 S62K15-D60 WeakPolarHBondContact CE-OD2 3.48Å; K15-D60 IonicContact NZ-OD2 2.68Å; K15-D60 PolarHBondContact NZ-OD2 2.89Å; S41-D60 PolarHBondContact OG-OD1 3.22Å; D60-S62 PolarHBondContact O-N 2.87Å
61C56.2Low57Low18 Ų18109.9 Ų109.912%0.12259%0.593CS.*  trans-82.687.8172.3-85.80000109.8C38 H40 H59C38-C61 HydrophobicContact CB-CB 3.74Å; C38-C61 VanDerWaalsContact SG-SG 3.65Å; H40-C61 VanDerWaalsContact O-CB 3.29Å; H40-C61 WeakPolarHBondContact O-CB 3.15Å; H40-C61 PolarHBondContact O-N 3.38Å; H59-C61 PolarHBondContact CE1-SG 3.35Å; H59-C61 PolarHBondContact ND1-SG 3.12Å
62S52.4Low57.2Low101 Ų101107.8 Ų107.871%0.70659%0.59SS**  trans-94.6100.9163.848.40000109.6D60D60-S62 PolarHBondContact O-N 2.87Å
63H52.5Low57.2Low140 Ų140106.5 Ų106.565%0.64858%0.577SS**  trans-86.5124.9160.5-76.5-102.8000109C38C38-H63 WeakPolarHBondContact CB-CD2 3.45Å; C38-H63 VanDerWaalsContact CB-NE2 3.33Å; C38-H63 WeakPolarHBondContact CB-NE2 3.45Å
64T42.3Very low57.2Low213 Ų213110.2 Ų110.2100%1.30759%0.591SS**  trans-56.80158.249.30000111

Retrieved 64 of 64 residues in 98.3 ms (Link to these results)