A0A5K4F9G1_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F9G1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 60 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
1M56.3Low68.9Low227 Ų227147.2 Ų147.2100%1.11866%0.658SS**  0-20.50-77.9172174.500115.4R3M1-R3 PolarHBondContact O-N 2.92Å
2L58.3Low69.5Low136 Ų136137 Ų13771%0.71261%0.614SS**Hα-helixtrans-69.2-26-178.7-104.285.6000116.7H4 R5 R6L2-H4 PolarHBondContact O-N 3.47Å; L2-R5 PolarHBondContact O-N 2.91Å; L2-R6 PolarHBondContact O-N 3.02Å
3R57.9Low70.4Confident221 Ų221134.8 Ų134.883%0.83461%0.606SS**Hα-helixtrans-68-33.3-171.6-67.3-170-169.8-159.63.4113.9M1M1-R3 PolarHBondContact O-N 2.92Å
4H55.8Low71.3Confident146 Ų146135.3 Ų135.368%0.67661%0.607SS**Hα-helixtrans-68.9-42.1178.3-72.978.1000110.7L2 R6 K7 D8L2-H4 PolarHBondContact O-N 3.47Å; H4-R6 VanDerWaalsContact C-N 3.26Å; H4-R6 PolarHBondContact O-N 3.13Å; H4-K7 PolarHBondContact O-N 2.99Å; H4-K7 VanDerWaalsContact O-N 3.12Å; H4-D8 PolarHBondContact O-N 3.5Å; H4-D8 VanDerWaalsContact O-N 3.14Å
5R65.5Low71.6Confident189 Ų189133.1 Ų133.171%0.71359%0.593SS**Hα-helixtrans-58.6-34.3178.7-130.8-176.6-173.5176.82.2113.5L2 I9L2-R5 PolarHBondContact O-N 2.91Å; R5-I9 WeakPolarHBondContact O-CD1 3.43Å; R5-I9 VanDerWaalsContact O-CG1 3.24Å; R5-I9 WeakPolarHBondContact O-CG1 3.26Å; R5-I9 PolarHBondContact O-N 3.33Å; R5-I9 VanDerWaalsContact O-N 3.15Å
6R74.1Confident72Confident182 Ų182128.9 Ų128.969%0.68757%0.574SS**Hα-helixtrans-66.2-44.7176.6-83.9-175.2164.7150.7-2.7112.6L2 H4 D8 I9 E10L2-R6 PolarHBondContact O-N 3.02Å; H4-R6 VanDerWaalsContact C-N 3.26Å; H4-R6 PolarHBondContact O-N 3.13Å; R6-D8 VanDerWaalsContact C-N 3.31Å; R6-D8 PolarHBondContact O-N 3.19Å; R6-I9 PolarHBondContact O-N 2.72Å; R6-E10 PolarHBondContact O-N 2.82Å
7K77.2Confident72.6Confident143 Ų143131.1 Ų131.162%0.62258%0.582SS**Hα-helixtrans-62.7-40.5176.8-77.1-174.1174.4-176.20111.5H4 I9 E10 I11H4-K7 PolarHBondContact O-N 2.99Å; H4-K7 VanDerWaalsContact O-N 3.12Å; K7-I9 VanDerWaalsContact C-N 3.31Å; K7-I9 PolarHBondContact O-N 3.18Å; K7-E10 PolarHBondContact O-N 3.46Å; K7-I11 VanDerWaalsContact O-CG1 3.29Å; K7-I11 WeakPolarHBondContact O-CG1 3.47Å; K7-I11 PolarHBondContact O-N 3.39Å
8D71.4Confident73Confident74 Ų74130.8 Ų130.840%0.39659%0.587SS.*Hα-helixtrans-62.1-41.1177.8-59.8-30.7000111.4H4 R6 I11 L12H4-D8 PolarHBondContact O-N 3.5Å; H4-D8 VanDerWaalsContact O-N 3.14Å; R6-D8 VanDerWaalsContact C-N 3.31Å; R6-D8 PolarHBondContact O-N 3.19Å; D8-I11 PolarHBondContact O-N 3.43Å; D8-L12 VanDerWaalsContact O-CB 3.29Å; D8-L12 WeakPolarHBondContact O-CB 3.49Å; D8-L12 PolarHBondContact O-N 3.15Å
9I77.6Confident73.1Confident98 Ų98128.7 Ų128.750%0.50358%0.582SS.*Hα-helixtrans-65-44.6176.3-67.7164.6000111.3R5 R6 K7 I11 L12 E13R5-I9 WeakPolarHBondContact O-CD1 3.43Å; R5-I9 VanDerWaalsContact O-CG1 3.24Å; R5-I9 WeakPolarHBondContact O-CG1 3.26Å; R5-I9 PolarHBondContact O-N 3.33Å; R5-I9 VanDerWaalsContact O-N 3.15Å; R6-I9 PolarHBondContact O-N 2.72Å; K7-I9 VanDerWaalsContact C-N 3.31Å; K7-I9 PolarHBondContact O-N 3.18Å; I9-I11 PolarHBondContact O-N 3.06Å; I9-L12 WeakPolarHBondContact O-CB 3.2Å; I9-L12 PolarHBondContact O-N 3.3Å; I9-L12 VanDerWaalsContact O-N 3.14Å; I9-E13 PolarHBondContact O-N 2.98Å
10E83.2Confident73.3Confident138 Ų138129.5 Ų129.565%0.64559%0.591SS**Hα-helixtrans-60.5-44.3176.8-79.1176.5-17700112.2R6 K7 L12 E13 K14R6-E10 PolarHBondContact O-N 2.82Å; K7-E10 PolarHBondContact O-N 3.46Å; E10-L12 VanDerWaalsContact C-N 3.26Å; E10-L12 PolarHBondContact O-N 2.86Å; E10-E13 PolarHBondContact O-N 3.46Å; E10-K14 WeakPolarHBondContact O-CB 3.41Å; E10-K14 PolarHBondContact O-N 3.39Å
11I80.7Confident73.3Confident65 Ų65125.7 Ų125.733%0.33358%0.575SS.*Hα-helixtrans-59.9-42.8175.1-68.7167.4000109.7K7 D8 I9 K14 Y15 I27K7-I11 VanDerWaalsContact O-CG1 3.29Å; K7-I11 WeakPolarHBondContact O-CG1 3.47Å; K7-I11 PolarHBondContact O-N 3.39Å; D8-I11 PolarHBondContact O-N 3.43Å; I9-I11 PolarHBondContact O-N 3.06Å; I11-K14 PolarHBondContact O-N 3.44Å; I11-Y15 HydrophobicContact CG2-CD2 3.82Å; I11-Y15 HydrophobicContact CG2-CE2 4.11Å; I11-Y15 WeakPolarHBondContact O-CB 3.42Å; I11-Y15 WeakPolarHBondContact O-CD2 3.24Å; I11-Y15 PolarHBondContact O-N 3.36Å; I11-I27 HydrophobicContact CG2-CD1 4.29Å
12L75.8Confident73.9Confident25 Ų25119.9 Ų119.913%0.13155%0.554CS.*Hα-helixtrans-64-44.5-179.9-155.1147.9000112.3D8 I9 E10 Y15 K16 L24 I27D8-L12 VanDerWaalsContact O-CB 3.29Å; D8-L12 WeakPolarHBondContact O-CB 3.49Å; D8-L12 PolarHBondContact O-N 3.15Å; I9-L12 WeakPolarHBondContact O-CB 3.2Å; I9-L12 PolarHBondContact O-N 3.3Å; I9-L12 VanDerWaalsContact O-N 3.14Å; E10-L12 VanDerWaalsContact C-N 3.26Å; E10-L12 PolarHBondContact O-N 2.86Å; L12-Y15 PolarHBondContact O-N 2.71Å; L12-K16 HydrophobicContact CD2-CD 4.17Å; L12-K16 HydrophobicContact CD2-CG 4.36Å; L12-K16 WeakPolarHBondContact O-CG 3.41Å; L12-K16 PolarHBondContact O-N 2.97Å; L12-L24 HydrophobicContact CD2-CD2 4.08Å; L12-L24 HydrophobicContact CG-CD2 4.02Å; L12-I27 VanDerWaalsContact CA-CD1 3.49Å; L12-I27 HydrophobicContact CB-CD1 3.74Å; L12-I27 HydrophobicContact CB-CG1 4.34Å; L12-I27 HydrophobicContact CD1-CB 3.9Å; L12-I27 HydrophobicContact CD1-CD1 4.03Å; L12-I27 HydrophobicContact CD1-CG1 3.68Å; L12-I27 VanDerWaalsContact CD1-N 3.27Å; L12-I27 HydrophobicContact CG-CB 4.47Å; L12-I27 HydrophobicContact CG-CD1 3.63Å; L12-I27 HydrophobicContact CG-CG1 3.75Å
13E81.3Confident74.5Confident109 Ų109115.3 Ų115.351%0.50953%0.533SS..Hα-helixtrans-64.8-41.1174.7-71.2-150.116500112.7I9 E10 Y15 K16 K17I9-E13 PolarHBondContact O-N 2.98Å; E10-E13 PolarHBondContact O-N 3.46Å; E13-Y15 VanDerWaalsContact C-N 3.34Å; E13-Y15 PolarHBondContact O-N 3.12Å; E13-K16 WeakPolarHBondContact O-CB 3.29Å; E13-K16 PolarHBondContact O-N 3.3Å; E13-K17 WeakPolarHBondContact O-CG 3.37Å; E13-K17 PolarHBondContact O-N 3.02Å
14K83.1Confident74.9Confident141 Ų141105 Ų10561%0.61350%0.495SS*.Hα-helixtrans-62.1-43.8176.3-172.2176.5179.3-179.50111E10 I11 K17 L18E10-K14 WeakPolarHBondContact O-CB 3.41Å; E10-K14 PolarHBondContact O-N 3.39Å; I11-K14 PolarHBondContact O-N 3.44Å; K14-K17 PolarHBondContact O-N 3.28Å; K14-L18 HydrophobicContact CG-CD1 3.93Å; K14-L18 HydrophobicContact CG-CG 4.49Å; K14-L18 WeakPolarHBondContact O-CB 3.41Å; K14-L18 WeakPolarHBondContact O-CG 3.39Å; K14-L18 PolarHBondContact O-N 3.46Å
15Y75.2Confident75.6Confident102 Ų102105.5 Ų105.540%0.450%0.495SS..Hα-helixtrans-63.1-42.1176.1-101.7-86.8000112.6I11 L12 E13 K17 L18 N19 I27I11-Y15 HydrophobicContact CG2-CD2 3.82Å; I11-Y15 HydrophobicContact CG2-CE2 4.11Å; I11-Y15 WeakPolarHBondContact O-CB 3.42Å; I11-Y15 WeakPolarHBondContact O-CD2 3.24Å; I11-Y15 PolarHBondContact O-N 3.36Å; L12-Y15 PolarHBondContact O-N 2.71Å; E13-Y15 VanDerWaalsContact C-N 3.34Å; E13-Y15 PolarHBondContact O-N 3.12Å; Y15-K17 VanDerWaalsContact C-N 3.34Å; Y15-K17 PolarHBondContact O-N 3.19Å; Y15-L18 PolarHBondContact O-N 3.15Å; Y15-N19 PolarHBondContact O-N 3.14Å; Y15-N19 VanDerWaalsContact O-N 3.1Å; Y15-N19 PolarHBondContact O-ND2 3.14Å; Y15-I27 HydrophobicContact CD2-CD1 4.44Å; Y15-I27 HydrophobicContact CG-CD1 4.49Å
16K78.2Confident75.8Confident66 Ų66101.8 Ų101.829%0.28749%0.486SS..Hα-helixtrans-56-48.5174.6-77.9-177.7170.1-178.40111.7L12 E13 N20 I21 L24L12-K16 HydrophobicContact CD2-CD 4.17Å; L12-K16 HydrophobicContact CD2-CG 4.36Å; L12-K16 WeakPolarHBondContact O-CG 3.41Å; L12-K16 PolarHBondContact O-N 2.97Å; E13-K16 WeakPolarHBondContact O-CB 3.29Å; E13-K16 PolarHBondContact O-N 3.3Å; K16-N20 WeakPolarHBondContact O-CA 3.29Å; K16-N20 PolarHBondContact O-N 3.43Å; K16-I21 WeakPolarHBondContact CG-O 3.46Å; K16-I21 PolarHBondContact O-N 2.88Å; K16-I21 VanDerWaalsContact O-N 3.08Å; K16-L24 HydrophobicContact CD-CB 4.42Å; K16-L24 WeakPolarHBondContact CE-O 3.42Å; K16-L24 HydrophobicContact CG-CB 3.76Å; K16-L24 HydrophobicContact CG-CD2 4.09Å; K16-L24 PolarHBondContact NZ-O 3.34Å
17K81.9Confident75.5Confident166 Ų16694.3 Ų94.372%0.72246%0.459SS*.Hα-helixtrans-66.1-46.1-179.3-73.1179.8-178.9175.50111.8E13 K14 Y15 N19E13-K17 WeakPolarHBondContact O-CG 3.37Å; E13-K17 PolarHBondContact O-N 3.02Å; K14-K17 PolarHBondContact O-N 3.28Å; Y15-K17 VanDerWaalsContact C-N 3.34Å; Y15-K17 PolarHBondContact O-N 3.19Å; K17-N19 VanDerWaalsContact C-N 3.33Å; K17-N19 PolarHBondContact O-N 3.48Å
18L81.3Confident75.3Confident126 Ų12691.7 Ų91.766%0.6645%0.451SS*.Hα-helixtrans-64.1-35.4-177.8-77.1169.8000113.4K14 Y15K14-L18 HydrophobicContact CG-CD1 3.93Å; K14-L18 HydrophobicContact CG-CG 4.49Å; K14-L18 WeakPolarHBondContact O-CB 3.41Å; K14-L18 WeakPolarHBondContact O-CG 3.39Å; K14-L18 PolarHBondContact O-N 3.46Å; Y15-L18 PolarHBondContact O-N 3.15Å
19N74.8Confident75.5Confident92 Ų9292 Ų9249%0.49245%0.449SS..Hα-helixtrans-104.32.6-174.9-61.3-84.8000113.2Y15 K17 I21Y15-N19 PolarHBondContact O-N 3.14Å; Y15-N19 VanDerWaalsContact O-N 3.1Å; Y15-N19 PolarHBondContact O-ND2 3.14Å; K17-N19 VanDerWaalsContact C-N 3.33Å; K17-N19 PolarHBondContact O-N 3.48Å; N19-I21 VanDerWaalsContact C-N 3.29Å; N19-I21 HydrophobicContact CB-CD1 3.71Å; N19-I21 HydrophobicContact CB-CG1 3.72Å; N19-I21 VanDerWaalsContact O-CG1 3.27Å; N19-I21 WeakPolarHBondContact O-CG1 2.68Å; N19-I21 PolarHBondContact O-N 3.14Å
20N77.1Confident75.7Confident144 Ų14488.1 Ų88.177%0.7743%0.433SS*.THydrogen-bonded Turntrans50.245.4-173.3-163.326.6000113.6K16 P22K16-N20 WeakPolarHBondContact O-CA 3.29Å; K16-N20 PolarHBondContact O-N 3.43Å; N20-P22 VanDerWaalsContact C-CD 3.5Å; N20-P22 WeakPolarHBondContact O-CD 3.34Å
21I71.6Confident75.6Confident50 Ų5085.5 Ų85.526%0.25643%0.427SS..  trans-114.381-178-49.2179.5000109.9K16 N19 S23 L24 L50K16-I21 WeakPolarHBondContact CG-O 3.46Å; K16-I21 PolarHBondContact O-N 2.88Å; K16-I21 VanDerWaalsContact O-N 3.08Å; N19-I21 VanDerWaalsContact C-N 3.29Å; N19-I21 HydrophobicContact CB-CD1 3.71Å; N19-I21 HydrophobicContact CB-CG1 3.72Å; N19-I21 VanDerWaalsContact O-CG1 3.27Å; N19-I21 WeakPolarHBondContact O-CG1 2.68Å; N19-I21 PolarHBondContact O-N 3.14Å; I21-S23 PolarHBondContact O-N 3.47Å; I21-L24 HydrophobicContact CG2-CB 4.32Å; I21-L24 HydrophobicContact CG2-CD1 4.43Å; I21-L24 PolarHBondContact O-N 3.42Å; I21-L50 HydrophobicContact CB-CD2 4.36Å; I21-L50 HydrophobicContact CD1-CD2 4.04Å; I21-L50 HydrophobicContact CG2-CD2 3.12Å
22P70.4Confident75.6Confident104 Ų10485.6 Ų85.668%0.67543%0.428SS*.THydrogen-bonded Turntrans-62.4-26.3-178.723.2-32.2000112.9N20 L24N20-P22 VanDerWaalsContact C-CD 3.5Å; N20-P22 WeakPolarHBondContact O-CD 3.34Å; P22-L24 VanDerWaalsContact C-N 3.3Å; P22-L24 PolarHBondContact O-N 2.97Å
23S69.4Low75.8Confident40 Ų4094.6 Ų94.628%0.2847%0.466SS..THydrogen-bonded Turntrans-82.33.2-17567.30000115.8I21 K25 S51I21-S23 PolarHBondContact O-N 3.47Å; S23-K25 PolarHBondContact O-N 2.88Å; S23-K25 VanDerWaalsContact O-N 3.13Å; S23-S51 WeakPolarHBondContact CB-O 3.47Å; S23-S51 PolarHBondContact O-N 3.08Å; S23-S51 PolarHBondContact O-OG 3.04Å; S23-S51 PolarHBondContact OG-O 3.36Å
24L68.3Low75.8Confident4 Ų491.8 Ų91.82%0.02146%0.456CS..EExtended strand (participates in β ladder)trans-64.3111.5175.2-156.281.9000109.8L12 K16 I21 P22 I27 T48 L50L12-L24 HydrophobicContact CD2-CD2 4.08Å; L12-L24 HydrophobicContact CG-CD2 4.02Å; K16-L24 HydrophobicContact CD-CB 4.42Å; K16-L24 WeakPolarHBondContact CE-O 3.42Å; K16-L24 HydrophobicContact CG-CB 3.76Å; K16-L24 HydrophobicContact CG-CD2 4.09Å; K16-L24 PolarHBondContact NZ-O 3.34Å; I21-L24 HydrophobicContact CG2-CB 4.32Å; I21-L24 HydrophobicContact CG2-CD1 4.43Å; I21-L24 PolarHBondContact O-N 3.42Å; P22-L24 VanDerWaalsContact C-N 3.3Å; P22-L24 PolarHBondContact O-N 2.97Å; L24-I27 HydrophobicContact CD2-CD1 4.17Å; L24-I27 HydrophobicContact CD2-CG1 4.1Å; L24-T48 HydrophobicContact CD1-CG2 3.6Å; L24-T48 HydrophobicContact CD2-CG2 4.13Å; L24-T48 HydrophobicContact CG-CG2 4.23Å; L24-L50 HydrophobicContact CD1-CD2 3.66Å; L24-L50 HydrophobicContact CD1-CG 4.35Å
25K68.9Low75.9Confident158 Ų15890.8 Ų90.869%0.68747%0.467SS*.EExtended strand (participates in β ladder)trans-94.9-32.7-178.7-74.6-173.8179.5178.80113.2S23 H49 S51S23-K25 PolarHBondContact O-N 2.88Å; S23-K25 VanDerWaalsContact O-N 3.13Å; K25-H49 PolarHBondContact N-O 3.48Å; K25-S51 WeakPolarHBondContact CE-OG 3.39Å
26Q69.8Low76.2Confident110 Ų11092.3 Ų92.351%0.51448%0.482SS..EExtended strand (participates in β ladder)trans-150.8138.2-171.6-163.8170.6-6.800111.2I28 H49Q26-I28 HydrophobicContact CG-CG1 3.99Å; Q26-H49 PolarHBondContact O-N 3.32Å; Q26-H49 VanDerWaalsContact O-N 3.14Å
27I68.9Low76.4Confident25 Ų2590.8 Ų90.813%0.12848%0.477CS..EExtended strand (participates in β ladder)trans-108.3125.2165.5-67.9172.4000106.4I11 L12 Y15 L24 F29 P46 T48I11-I27 HydrophobicContact CG2-CD1 4.29Å; L12-I27 VanDerWaalsContact CA-CD1 3.49Å; L12-I27 HydrophobicContact CB-CD1 3.74Å; L12-I27 HydrophobicContact CB-CG1 4.34Å; L12-I27 HydrophobicContact CD1-CB 3.9Å; L12-I27 HydrophobicContact CD1-CD1 4.03Å; L12-I27 HydrophobicContact CD1-CG1 3.68Å; L12-I27 VanDerWaalsContact CD1-N 3.27Å; L12-I27 HydrophobicContact CG-CB 4.47Å; L12-I27 HydrophobicContact CG-CD1 3.63Å; L12-I27 HydrophobicContact CG-CG1 3.75Å; Y15-I27 HydrophobicContact CD2-CD1 4.44Å; Y15-I27 HydrophobicContact CG-CD1 4.49Å; L24-I27 HydrophobicContact CD2-CD1 4.17Å; L24-I27 HydrophobicContact CD2-CG1 4.1Å; I27-F29 HydrophobicContact CG2-CD2 4.19Å; I27-F29 HydrophobicContact CG2-CE2 3.8Å; I27-F29 HydrophobicContact CG2-CZ 4.15Å; I27-P46 HydrophobicContact CG2-CB 3.82Å; I27-T48 HydrophobicContact CD1-CG2 4.49Å; I27-T48 HydrophobicContact CG1-CG2 3.75Å
28I73.5Confident76.5Confident88 Ų8885.7 Ų85.745%0.45146%0.462SS..EExtended strand (participates in β ladder)trans-116.6128.4173.1-56.8175.5000105.9Q26 I47Q26-I28 HydrophobicContact CG-CG1 3.99Å; I28-I47 PolarHBondContact N-O 2.94Å; I28-I47 WeakPolarHBondContact O-CA 3.45Å; I28-I47 WeakPolarHBondContact O-CB 3.39Å; I28-I47 PolarHBondContact O-N 3.11Å
29F75.1Confident76.6Confident82 Ų8288.2 Ų88.236%0.3647%0.471SS..EExtended strand (participates in β ladder)trans-87.8136.2171.6-70.5-91.7000109.7I27 Y44 P46I27-F29 HydrophobicContact CG2-CD2 4.19Å; I27-F29 HydrophobicContact CG2-CE2 3.8Å; I27-F29 HydrophobicContact CG2-CZ 4.15Å; F29-Y44 HydrophobicContact CB-CE1 3.93Å; F29-Y44 HydrophobicContact CB-CE2 4.49Å; F29-Y44 WeakPolarHBondContact CB-OH 3.27Å; F29-Y44 HydrophobicContact CD1-CE1 4.17Å; F29-Y44 HydrophobicContact CG-CE1 4.46Å; F29-P46 HydrophobicContact CD1-CB 4.19Å; F29-P46 HydrophobicContact CE1-CB 3.85Å; F29-P46 HydrophobicContact CE1-CG 4.38Å; F29-P46 HydrophobicContact CZ-CB 4.3Å
30G81Confident77.1Confident16 Ų1690.9 Ų90.917%0.16549%0.485CS..EExtended strand (participates in β ladder)trans-165.5172.6-179.200000113.1Y44 G45G30-Y44 VanDerWaalsContact C-CD2 3.48Å; G30-Y44 WeakPolarHBondContact O-CA 3.35Å; G30-Y44 WeakPolarHBondContact O-CD2 3.13Å; G30-G45 PolarHBondContact N-O 3.39Å; G30-G45 PolarHBondContact O-N 3.45Å
31T80.5Confident77.4Confident83 Ų8391.3 Ų91.351%0.50948%0.48SS..EExtended strand (participates in β ladder)trans-78121.9171.346.60000110W42 L43 Y44T31-W42 HydrophobicContact CG2-CB 4.15Å; T31-L43 CarbonylContact C-O 3.57Å; T31-L43 WeakPolarHBondContact CA-O 3.5Å; T31-Y44 HydrophobicContact CG2-CD2 4.16Å
32L80.9Confident78Confident67 Ų6796.5 Ų96.535%0.35150%0.496SS..  trans-77.3128.7173.7-67.2167.9000108.9T34 N37 L43 I47L32-T34 HydrophobicContact CB-CG2 4.03Å; L32-T34 PolarHBondContact O-N 3.38Å; L32-T34 VanDerWaalsContact O-N 3.15Å; L32-N37 PolarHBondContact O-ND2 3.13Å; L32-L43 HydrophobicContact CB-CB 4.48Å; L32-L43 HydrophobicContact CD1-CD2 3.9Å; L32-L43 PolarHBondContact N-O 3.31Å; L32-I47 HydrophobicContact CD2-CD1 4.31Å; L32-I47 HydrophobicContact CD2-CG1 3.9Å
33K80.8Confident78.4Confident214 Ų21496.3 Ų96.393%0.9349%0.489SS*.  trans-74.8103.7174.2-170176.8-178.8-179.80108.6
34T81.1Confident79Confident50 Ų50102 Ų10231%0.30751%0.505SS..  trans-126.3155.7178.877.30000110.6L32 N36 N37 L43L32-T34 HydrophobicContact CB-CG2 4.03Å; L32-T34 PolarHBondContact O-N 3.38Å; L32-T34 VanDerWaalsContact O-N 3.15Å; T34-N36 PolarHBondContact O-N 3.38Å; T34-N36 PolarHBondContact OG1-N 2.95Å; T34-N37 PolarHBondContact N-ND2 2.93Å; T34-N37 WeakPolarHBondContact O-CB 3.35Å; T34-N37 PolarHBondContact O-N 3.35Å; T34-N37 VanDerWaalsContact O-N 3.13Å; T34-N37 PolarHBondContact OG1-N 3.33Å; T34-N37 PolarHBondContact OG1-OD1 3.39Å; T34-L43 HydrophobicContact CG2-CB 4.44Å; T34-L43 HydrophobicContact CG2-CD2 4.2Å
35S84.9Confident79.5Confident119 Ų119102.2 Ų102.283%0.83251%0.509SS*.THydrogen-bonded Turntrans-60.9-20.1173.550.60000113.3N37S35-N37 VanDerWaalsContact C-N 3.32Å
36N81.9Confident79.8Confident134 Ų13497.2 Ų97.272%0.71749%0.493SS*.THydrogen-bonded Turntrans-87.9-5.4-178.7-68.539000112.3T34 S38T34-N36 PolarHBondContact O-N 3.38Å; T34-N36 PolarHBondContact OG1-N 2.95Å; N36-S38 PolarHBondContact O-N 3.1Å
37N82.5Confident80.1Confident34 Ų3495.4 Ų95.418%0.18249%0.486CS..  trans-69125174.3-68.6-7000109L32 T34 S35 K41 W42 L43L32-N37 PolarHBondContact O-ND2 3.13Å; T34-N37 PolarHBondContact N-ND2 2.93Å; T34-N37 WeakPolarHBondContact O-CB 3.35Å; T34-N37 PolarHBondContact O-N 3.35Å; T34-N37 VanDerWaalsContact O-N 3.13Å; T34-N37 PolarHBondContact OG1-N 3.33Å; T34-N37 PolarHBondContact OG1-OD1 3.39Å; S35-N37 VanDerWaalsContact C-N 3.32Å; N37-K41 CarbonylContact C-O 3.56Å; N37-K41 VanDerWaalsContact CA-O 3.26Å; N37-K41 WeakPolarHBondContact CA-O 3.44Å; N37-W42 HydrophobicContact CB-CD2 4.49Å; N37-W42 HydrophobicContact CB-CE3 3.99Å; N37-W42 HydrophobicContact CB-CZ3 4.21Å; N37-L43 PolarHBondContact OD1-N 2.97Å
38S84.1Confident80.1Confident59 Ų5997.1 Ų97.141%0.41350%0.497SS..BIsolated β-bridgetrans-122.1171.117369.80000109.4N36 N40 K41 W42N36-S38 PolarHBondContact O-N 3.1Å; S38-N40 PolarHBondContact O-N 3.06Å; S38-K41 PolarHBondContact N-O 3.49Å; S38-K41 PolarHBondContact O-N 3.44Å; S38-K41 VanDerWaalsContact O-O 3.07Å; S38-K41 PolarHBondContact OG-N 3.47Å; S38-W42 PolarHBondContact O-NE1 2.96Å
39Q83.5Confident79.8Confident180 Ų18099 Ų9984%0.84150%0.504SS*.THydrogen-bonded Turntrans-51.7-28.7-177.2-159.5163.3-3.400113.1
40N84.6Confident79.4Confident148 Ų14899.2 Ų99.279%0.79151%0.508SS*.THydrogen-bonded Turntrans-112.60.7-178-60.6-15.5000114.4S38S38-N40 PolarHBondContact O-N 3.06Å
41K84.1Confident78.5Confident153 Ų15399.7 Ų99.767%0.66551%0.51SS*.BIsolated β-bridgetrans-140.3118.2-177.8-66.1-175.7-179178.60110.6N37 S38N37-K41 CarbonylContact C-O 3.56Å; N37-K41 VanDerWaalsContact CA-O 3.26Å; N37-K41 WeakPolarHBondContact CA-O 3.44Å; S38-K41 PolarHBondContact N-O 3.49Å; S38-K41 PolarHBondContact O-N 3.44Å; S38-K41 VanDerWaalsContact O-O 3.07Å; S38-K41 PolarHBondContact OG-N 3.47Å
42W83.1Confident77.4Confident159 Ų159103.9 Ų103.960%0.60252%0.523SS*.  trans-124.1133.3177.4-61.984.4000109.4T31 N37 S38 Y44T31-W42 HydrophobicContact CG2-CB 4.15Å; N37-W42 HydrophobicContact CB-CD2 4.49Å; N37-W42 HydrophobicContact CB-CE3 3.99Å; N37-W42 HydrophobicContact CB-CZ3 4.21Å; S38-W42 PolarHBondContact O-NE1 2.96Å; W42-Y44 PolarHBondContact O-N 3.36Å
43L80.2Confident76.1Confident100 Ų100105.5 Ų105.552%0.52454%0.54SS..  trans-78.1110.6172-153.180.8000108.9T31 L32 T34 N37T31-L43 CarbonylContact C-O 3.57Å; T31-L43 WeakPolarHBondContact CA-O 3.5Å; L32-L43 HydrophobicContact CB-CB 4.48Å; L32-L43 HydrophobicContact CD1-CD2 3.9Å; L32-L43 PolarHBondContact N-O 3.31Å; T34-L43 HydrophobicContact CG2-CB 4.44Å; T34-L43 HydrophobicContact CG2-CD2 4.2Å; N37-L43 PolarHBondContact OD1-N 2.97Å
44Y81.9Confident74.7Confident158 Ų158101.1 Ų101.162%0.6253%0.527SS*.EExtended strand (participates in β ladder)trans-105.1131.5176.4-174.8-95.1000109.9F29 G30 T31 W42F29-Y44 HydrophobicContact CB-CE1 3.93Å; F29-Y44 HydrophobicContact CB-CE2 4.49Å; F29-Y44 WeakPolarHBondContact CB-OH 3.27Å; F29-Y44 HydrophobicContact CD1-CE1 4.17Å; F29-Y44 HydrophobicContact CG-CE1 4.46Å; G30-Y44 VanDerWaalsContact C-CD2 3.48Å; G30-Y44 WeakPolarHBondContact O-CA 3.35Å; G30-Y44 WeakPolarHBondContact O-CD2 3.13Å; T31-Y44 HydrophobicContact CG2-CD2 4.16Å; W42-Y44 PolarHBondContact O-N 3.36Å
45G78.9Confident73.1Confident10 Ų10104.5 Ų104.510%0.10355%0.55CS..EExtended strand (participates in β ladder)trans-165.7175.1-177.300000114.2G30G30-G45 PolarHBondContact N-O 3.39Å; G30-G45 PolarHBondContact O-N 3.45Å
46P75Confident71Confident53 Ų53103.6 Ų103.634%0.34454%0.543SS..EExtended strand (participates in β ladder)trans-72.9127.4175.229.2-31.9000110.7I27 F29I27-P46 HydrophobicContact CG2-CB 3.82Å; F29-P46 HydrophobicContact CD1-CB 4.19Å; F29-P46 HydrophobicContact CE1-CB 3.85Å; F29-P46 HydrophobicContact CE1-CG 4.38Å; F29-P46 HydrophobicContact CZ-CB 4.3Å
47I74.7Confident69.1Low72 Ų72105.6 Ų105.637%0.36955%0.548SS..EExtended strand (participates in β ladder)trans-103.9119171.2-56.2171.2000106.8I28 L32I28-I47 PolarHBondContact N-O 2.94Å; I28-I47 WeakPolarHBondContact O-CA 3.45Å; I28-I47 WeakPolarHBondContact O-CB 3.39Å; I28-I47 PolarHBondContact O-N 3.11Å; L32-I47 HydrophobicContact CD2-CD1 4.31Å; L32-I47 HydrophobicContact CD2-CG1 3.9Å
48T70.8Confident67Low60 Ų60109.2 Ų109.237%0.36858%0.576SS.*EExtended strand (participates in β ladder)trans-106.7125.2-176.340.30000110.8L24 I27 L50L24-T48 HydrophobicContact CD1-CG2 3.6Å; L24-T48 HydrophobicContact CD2-CG2 4.13Å; L24-T48 HydrophobicContact CG-CG2 4.23Å; I27-T48 HydrophobicContact CD1-CG2 4.49Å; I27-T48 HydrophobicContact CG1-CG2 3.75Å; T48-L50 PolarHBondContact O-N 3.36Å
49H66.6Low64.6Low128 Ų128110.9 Ų110.959%0.59359%0.594SS**EExtended strand (participates in β ladder)trans-89.5108.5170.1-161.2-83.2000109.6K25 Q26K25-H49 PolarHBondContact N-O 3.48Å; Q26-H49 PolarHBondContact O-N 3.32Å; Q26-H49 VanDerWaalsContact O-N 3.14Å
50L65.4Low62.9Low86 Ų86115.4 Ų115.445%0.4561%0.611SS.*EExtended strand (participates in β ladder)trans-85.9107.8173.2-67.1165.8000107.8I21 L24 T48 Q52I21-L50 HydrophobicContact CB-CD2 4.36Å; I21-L50 HydrophobicContact CD1-CD2 4.04Å; I21-L50 HydrophobicContact CG2-CD2 3.12Å; L24-L50 HydrophobicContact CD1-CD2 3.66Å; L24-L50 HydrophobicContact CD1-CG 4.35Å; T48-L50 PolarHBondContact O-N 3.36Å; L50-Q52 PolarHBondContact O-N 3.17Å
51S63.1Low61.8Low27 Ų27113.8 Ų113.819%0.18960%0.602CS.*  trans-78112.5166.869.50000107.6S23 K25 S53S23-S51 WeakPolarHBondContact CB-O 3.47Å; S23-S51 PolarHBondContact O-N 3.08Å; S23-S51 PolarHBondContact O-OG 3.04Å; S23-S51 PolarHBondContact OG-O 3.36Å; K25-S51 WeakPolarHBondContact CE-OG 3.39Å; S51-S53 PolarHBondContact O-N 3.4Å; S51-S53 VanDerWaalsContact O-N 3.11Å
52Q58.4Low60.6Low170 Ų170111.7 Ų111.779%0.79460%0.598SS**  trans-60.8118.6159.3-75-174.2-28.500106.4L50 N54L50-Q52 PolarHBondContact O-N 3.17Å; Q52-N54 PolarHBondContact O-N 2.78Å
53S53.2Low59.3Low102 Ų102109.1 Ų109.171%0.71360%0.598SS**  trans-63.599.1157.949.70000104.8S51 P55S51-S53 PolarHBondContact O-N 3.4Å; S51-S53 VanDerWaalsContact O-N 3.11Å; S53-P55 WeakPolarHBondContact O-CD 3.19Å
54N49.9Very low58.1Low121 Ų121109.6 Ų109.665%0.64760%0.603SS**  trans-50.2127.7163.8-870.7000106.3Q52 S56Q52-N54 PolarHBondContact O-N 2.78Å; N54-S56 PolarHBondContact O-N 2.94Å
55P49Very low56.6Low121 Ų121106.6 Ų106.679%0.78660%0.602SS**  trans-68.577.7159.629.5-30000106.6S53 H57S53-P55 WeakPolarHBondContact O-CD 3.19Å; P55-H57 PolarHBondContact O-N 2.96Å
56S41Very low55.1Low100 Ų100113 Ų11370%0.69964%0.635SS**  trans-76.770.4165.751.40000107.9N54N54-S56 PolarHBondContact O-N 2.94Å
57H41.2Very low53.7Low176 Ų176117.3 Ų117.382%0.81566%0.656SS**  trans-175.4103.5165.9-99.3-73.8000103.8P55P55-H57 PolarHBondContact O-N 2.96Å
58S37.9Very low52.1Low111 Ų111120.8 Ų120.878%0.77668%0.678SS**  -155.4114.357.5450000111.1
59A33.3Very low50.6Low94 Ų94125.8 Ų125.878%0.77770%0.703SS**  trans-118.482.2154.900000106.5
60F47.6Very low49.1Very low274 Ų274125.6 Ų125.6100%1.20271%0.713SS**  trans-150.40162.3-86.5-72.8000107.4

Retrieved 60 of 60 residues in 126.6 ms (Link to these results)