A0A5K4FD35_SCHMA Loading...

Alternative protein

AlphaFold DB (A0A5K4F9I6), UniProt , Accession A0A5K4FD35, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 141 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
1M36.7Very low46.9Very low244 Ų244132.1 Ų132.1100%1.20267%0.669SS**  0103.30-74.6150.4150.500108.5
2K34.3Very low48.5Very low213 Ų213132.6 Ų132.693%0.92666%0.659SS**PPolyproline II helixtrans-93.2116-178.9-79.6178.3176.4176.10109.4
3C37.4Very low49.7Very low128 Ų128127.2 Ų127.287%0.86563%0.632SS**PPolyproline II helixtrans-64.9132.8176.8-59.70000110.5E5C3-E5 PolarHBondContact O-N 3.29Å
4Q35.5Very low51Low178 Ų178127.6 Ų127.683%0.83263%0.629SS**PPolyproline II helixtrans-61.1123.8176.8-73.1-172.430.600111.5N6Q4-N6 PolarHBondContact O-N 3.2Å
5E41.5Very low52Low173 Ų173121.3 Ų121.381%0.80860%0.6SS**  trans-69.195.8166.1-167.2178.5151.100109C3 T7C3-E5 PolarHBondContact O-N 3.29Å; E5-T7 PolarHBondContact O-N 3.04Å; E5-T7 VanDerWaalsContact O-N 3.09Å
6N46.3Very low52.9Low112 Ų112121.6 Ų121.660%0.59961%0.605SS**  trans-84.880.6-177.3-148-21.3000109.5Q4 K8Q4-N6 PolarHBondContact O-N 3.2Å; N6-K8 PolarHBondContact O-N 3.17Å
7T51.2Low53.5Low112 Ų112116.1 Ų116.169%0.68758%0.583SS**  trans-66.9122.1179.310.30000110.8E5E5-T7 PolarHBondContact O-N 3.04Å; E5-T7 VanDerWaalsContact O-N 3.09Å
8K56.2Low53.7Low53 Ų53116.2 Ų116.223%0.2359%0.591CS.*  trans-72.7148.2-170.6-49.7162.1-176.2168.30111.7N6 K10 P32 M34N6-K8 PolarHBondContact O-N 3.17Å; K8-K10 PolarHBondContact O-N 3.29Å; K8-P32 HydrophobicContact CG-CB 4.28Å; K8-P32 HydrophobicContact CG-CG 4.12Å; K8-M34 HydrophobicContact CD-CB 4.38Å; K8-M34 WeakPolarHBondContact CD-O 3.32Å; K8-M34 VanDerWaalsContact CE-C 3.42Å; K8-M34 VanDerWaalsContact CE-CB 3.4Å; K8-M34 VanDerWaalsContact CE-CG 3.48Å; K8-M34 WeakPolarHBondContact CE-O 3.29Å; K8-M34 WeakPolarHBondContact CG-O 3.49Å; K8-M34 PolarHBondContact NZ-SD 2.89Å
9P55Low54.4Low60 Ų60120.7 Ų120.739%0.3960%0.6SS.*  trans-68.9105.9167.428.6-32.1000109.5I11P9-I11 HydrophobicContact CB-CD1 4.22Å; P9-I11 HydrophobicContact CB-CG1 4.45Å; P9-I11 PolarHBondContact O-N 3.09Å
10K61.1Low55.2Low130 Ų130121.6 Ų121.657%0.56561%0.606SS**  trans-84.1105.4163.2-71.2-177.4-178.9174.90107.5K8 Y12K8-K10 PolarHBondContact O-N 3.29Å; K10-Y12 HydrophobicContact CB-CD2 4.34Å; K10-Y12 HydrophobicContact CB-CE2 3.79Å; K10-Y12 HydrophobicContact CD-CE2 4.27Å
11I60.5Low55.9Low50 Ų50120.6 Ų120.626%0.25660%0.601SS.*EExtended strand (participates in β ladder)trans-102.5115.4177.6-71.9163.8000108P9 I13 L26 Q28 S38P9-I11 HydrophobicContact CB-CD1 4.22Å; P9-I11 HydrophobicContact CB-CG1 4.45Å; P9-I11 PolarHBondContact O-N 3.09Å; I11-I13 HydrophobicContact CG2-CD1 3.92Å; I11-I13 HydrophobicContact CG2-CG1 3.54Å; I11-L26 HydrophobicContact CG2-CD1 4.08Å; I11-Q28 VanDerWaalsContact CD1-CD 3.48Å; I11-S38 PolarHBondContact O-N 2.87Å
12Y66.8Low57.8Low138 Ų138109.4 Ų109.454%0.54155%0.547SS..EExtended strand (participates in β ladder)trans-109111.9169.5-64.3-86.9000106.9K10 S38K10-Y12 HydrophobicContact CB-CD2 4.34Å; K10-Y12 HydrophobicContact CB-CE2 3.79Å; K10-Y12 HydrophobicContact CD-CE2 4.27Å; Y12-S38 WeakPolarHBondContact CA-O 2.91Å
13I63.5Low59.7Low62 Ų62105.5 Ų105.532%0.31853%0.532SS..EExtended strand (participates in β ladder)trans-111122.4173.1-52.3-161.3000108.1I11 T15 L26 L39 Q40I11-I13 HydrophobicContact CG2-CD1 3.92Å; I11-I13 HydrophobicContact CG2-CG1 3.54Å; I13-T15 HydrophobicContact CG2-CG2 3.98Å; I13-L26 HydrophobicContact CD1-CD1 3.4Å; I13-L26 HydrophobicContact CD1-CG 4.12Å; I13-L26 HydrophobicContact CG1-CD1 3.87Å; I13-L39 HydrophobicContact CB-CD1 4.38Å; I13-Q40 PolarHBondContact O-N 3.43Å
14F68Low61.4Low134 Ų134100.8 Ų100.859%0.58850%0.501SS*.EExtended strand (participates in β ladder)trans-109.9116.8170.5-60.6-83.6000108.3Q40F14-Q40 WeakPolarHBondContact CA-O 3.04Å; F14-Q40 HydrophobicContact CD1-CB 3.75Å; F14-Q40 HydrophobicContact CD1-CG 4.29Å; F14-Q40 HydrophobicContact CE1-CB 3.82Å; F14-Q40 HydrophobicContact CE1-CG 4.41Å
15T66.2Low63.3Low32 Ų3297.1 Ų97.120%0.19649%0.494CS..EExtended strand (participates in β ladder)trans-113.7136.3171.658.60000109.8I13 Q40 Q41 R42I13-T15 HydrophobicContact CG2-CG2 3.98Å; T15-Q40 PolarHBondContact N-O 3.07Å; T15-Q41 VanDerWaalsContact CG2-NE2 3.29Å; T15-Q41 WeakPolarHBondContact OG1-CG 3.37Å; T15-Q41 PolarHBondContact OG1-NE2 3.2Å; T15-Q41 PolarHBondContact OG1-OE1 2.89Å; T15-R42 PolarHBondContact O-N 3.27Å
16N66.4Low64.8Low126 Ų12689.6 Ų89.667%0.67446%0.46SS*.EExtended strand (participates in β ladder)trans-123.2117.8166.6-70.7-67.4000107R42N16-R42 WeakPolarHBondContact CA-O 3.05Å; N16-R42 WeakPolarHBondContact OD1-CB 2.94Å; N16-R42 WeakPolarHBondContact OD1-CD 3.2Å
17A62.6Low66.3Low29 Ų2990.5 Ų90.524%0.2446%0.461CS..EExtended strand (participates in β ladder)trans-133.2137.5-179.800000111.6S22 R42 R44A17-S22 WeakPolarHBondContact CB-OG 3.35Å; A17-R42 PolarHBondContact N-O 3.06Å; A17-R44 PolarHBondContact O-N 3.27Å
18T57.7Low67.1Low118 Ų11886.3 Ų86.372%0.72443%0.433SS*.EExtended strand (participates in β ladder)trans-125.796.8172.5-48.30000107.9R44T18-R44 WeakPolarHBondContact CA-O 3.41Å
19R67.1Low67.6Low201 Ų20192.5 Ų92.576%0.75846%0.455SS*.SBendtrans-156166.9178.6-74.9-162.8-169.1-133.92.2109.9M21 R44 S45R19-M21 WeakPolarHBondContact CB-O 3.37Å; R19-M21 PolarHBondContact O-N 3.35Å; R19-R44 PolarHBondContact N-O 2.92Å; R19-S45 WeakPolarHBondContact O-CA 3.1Å; R19-S45 WeakPolarHBondContact O-CB 3Å
20L70.7Confident67.9Low139 Ų13989.9 Ų89.973%0.72844%0.438SS*.SBendtrans-53.1-38.7173.5-71171.7000112.1Q46 M47L20-Q46 HydrophobicContact CD2-CG 4.26Å; L20-Q46 WeakPolarHBondContact O-CB 3.39Å; L20-Q46 PolarHBondContact O-N 2.96Å; L20-M47 PolarHBondContact O-N 3.2Å
21M70.3Confident68Low100 Ų10091.6 Ų91.649%0.49344%0.441SS..EExtended strand (participates in β ladder)trans-132.5141.7174.3-63.3177.370.100110.9R19 M47R19-M21 WeakPolarHBondContact CB-O 3.37Å; R19-M21 PolarHBondContact O-N 3.35Å; M21-M47 WeakPolarHBondContact CA-O 3.31Å; M21-M47 HydrophobicContact CE-SD 3.96Å; M21-M47 HydrophobicContact CG-CB 4.37Å
22S74.8Confident68Low10 Ų1090 Ų907%0.0743%0.434CS..EExtended strand (participates in β ladder)trans-125.4123171.9-179.90000109.3A17 M47 Q49A17-S22 WeakPolarHBondContact CB-OG 3.35Å; S22-M47 PolarHBondContact N-O 3.26Å; S22-M47 VanDerWaalsContact N-O 3.14Å; S22-Q49 PolarHBondContact O-N 2.91Å
23Q74.8Confident67.7Low130 Ų13090.5 Ų90.561%0.60744%0.441SS*.EExtended strand (participates in β ladder)trans-122.5140.4177.5-63.8-168.70.900110.8Q49Q23-Q49 WeakPolarHBondContact CA-O 3.43Å; Q23-Q49 HydrophobicContact CG-CB 4.28Å
24S72.6Confident67.7Low30 Ų3091.2 Ų91.221%0.2144%0.444CS..EExtended strand (participates in β ladder)trans-144.5129.6171.1-770000110.4Q41 Q49 S50 S51S24-Q41 VanDerWaalsContact CB-CD 3.47Å; S24-Q41 PolarHBondContact OG-NE2 3.09Å; S24-Q41 PolarHBondContact OG-OE1 3.09Å; S24-Q41 VanDerWaalsContact OG-OE1 3.04Å; S24-Q49 PolarHBondContact N-O 3.42Å; S24-Q49 VanDerWaalsContact N-O 3.14Å; S24-S50 WeakPolarHBondContact O-CA 3.29Å; S24-S51 PolarHBondContact O-N 3.45Å
25S76.9Confident67.7Low100 Ų10084.9 Ų84.970%0.69942%0.416SS*.EExtended strand (participates in β ladder)trans-126.3131.5178.2-179.10000108.9S51S25-S51 WeakPolarHBondContact CA-O 3.38Å; S25-S51 WeakPolarHBondContact CB-OG 3.42Å; S25-S51 PolarHBondContact OG-OG 2.83Å
26L73.4Confident68Low16 Ų1686.4 Ų86.48%0.08442%0.421CS..EExtended strand (participates in β ladder)trans-133124.5178.6-167.8174000109.3I11 I13 Q28 L39 S51 L52 Q53I11-L26 HydrophobicContact CG2-CD1 4.08Å; I13-L26 HydrophobicContact CD1-CD1 3.4Å; I13-L26 HydrophobicContact CD1-CG 4.12Å; I13-L26 HydrophobicContact CG1-CD1 3.87Å; L26-Q28 HydrophobicContact CD2-CB 4.47Å; L26-Q28 HydrophobicContact CD2-CG 3.46Å; L26-Q28 VanDerWaalsContact CD2-CG 3.46Å; L26-L39 HydrophobicContact CB-CD1 4.19Å; L26-L39 HydrophobicContact CD1-CD1 3.63Å; L26-S51 PolarHBondContact N-O 2.91Å; L26-L52 HydrophobicContact CB-CD1 3.81Å; L26-L52 HydrophobicContact CD1-CD1 4.19Å; L26-L52 HydrophobicContact CD2-CD1 3.77Å; L26-L52 HydrophobicContact CG-CD1 4.14Å; L26-Q53 PolarHBondContact O-N 2.83Å
27Q75.8Confident68.2Low131 Ų13181 Ų8161%0.61239%0.393SS*.EExtended strand (participates in β ladder)trans-111.9126.2173.9-168.6174.44700110.3Q53Q27-Q53 CarbonylContact C-O 3.58Å; Q27-Q53 VanDerWaalsContact CA-O 3.31Å; Q27-Q53 WeakPolarHBondContact CA-O 3.39Å; Q27-Q53 HydrophobicContact CG-CB 4.33Å
28Q68.2Low68.9Low24 Ų2481.7 Ų81.711%0.11240%0.396CS..EExtended strand (participates in β ladder)trans-118.1142.8173.1-73.6-54.6-4700111.6I11 L26 Q53 Q54 R55I11-Q28 VanDerWaalsContact CD1-CD 3.48Å; L26-Q28 HydrophobicContact CD2-CB 4.47Å; L26-Q28 HydrophobicContact CD2-CG 3.46Å; L26-Q28 VanDerWaalsContact CD2-CG 3.46Å; Q28-Q53 PolarHBondContact N-O 2.93Å; Q28-Q54 HydrophobicContact CB-CG 4.34Å; Q28-R55 PolarHBondContact O-N 2.92Å
29R67.8Low69.7Low182 Ų18276.4 Ų76.469%0.68736%0.364SS*.EExtended strand (participates in β ladder)trans-135.2115.3171.5-164.4179.1-174.8-152.75.4109.2R55R29-R55 VanDerWaalsContact CA-O 3.32Å; R29-R55 WeakPolarHBondContact CA-O 3.43Å; R29-R55 HydrophobicContact CG-CB 4.33Å
30S61.4Low70.3Confident5 Ų570.7 Ų70.74%0.03535%0.346CS..EExtended strand (participates in β ladder)trans-129.7133.7-175.9-42.20000111.2S35 R55 R57S30-S35 WeakPolarHBondContact CB-OG 3.21Å; S30-S35 PolarHBondContact OG-OG 3.21Å; S30-R55 PolarHBondContact N-O 3.01Å; S30-R57 PolarHBondContact O-N 2.98Å
31R62.9Low70.4Confident166 Ų16664.2 Ų64.263%0.62631%0.312SS*.  trans-115.416.9169.3-62-173179.7-161.65117.6
32P61Low70.8Confident16 Ų1664 Ų6410%0.10431%0.305CS..SBendtrans-79.4175.9176.133.5-35.8000112.8K8 M34 P58K8-P32 HydrophobicContact CG-CB 4.28Å; K8-P32 HydrophobicContact CG-CG 4.12Å; P32-M34 VanDerWaalsContact C-N 3.25Å; P32-M34 WeakPolarHBondContact CG-O 3.44Å; P32-M34 PolarHBondContact O-N 2.84Å; P32-P58 WeakPolarHBondContact O-CA 3.39Å; P32-P58 WeakPolarHBondContact O-CB 2.93Å
33Q60.4Low70.7Confident150 Ų15063.6 Ų63.670%0.70130%0.302SS*.SBendtrans-59.7-28.1177.3-83-173.1-21.100114.2P58 Q59Q33-P58 VanDerWaalsContact O-CB 3.29Å; Q33-P58 WeakPolarHBondContact O-CB 2.86Å; Q33-Q59 PolarHBondContact O-N 2.91Å
34M62.6Low70.8Confident77 Ų7763.1 Ų63.138%0.37930%0.295SS..EExtended strand (participates in β ladder)trans-144.4155.6167.1-4.1168.1-149.900111.6K8 P32 M60K8-M34 HydrophobicContact CD-CB 4.38Å; K8-M34 WeakPolarHBondContact CD-O 3.32Å; K8-M34 VanDerWaalsContact CE-C 3.42Å; K8-M34 VanDerWaalsContact CE-CB 3.4Å; K8-M34 VanDerWaalsContact CE-CG 3.48Å; K8-M34 WeakPolarHBondContact CE-O 3.29Å; K8-M34 WeakPolarHBondContact CG-O 3.49Å; K8-M34 PolarHBondContact NZ-SD 2.89Å; P32-M34 VanDerWaalsContact C-N 3.25Å; P32-M34 WeakPolarHBondContact CG-O 3.44Å; P32-M34 PolarHBondContact O-N 2.84Å; M34-M60 CarbonylContact C-O 3.55Å; M34-M60 WeakPolarHBondContact CA-O 3.04Å; M34-M60 HydrophobicContact CB-CB 4.24Å; M34-M60 WeakPolarHBondContact CB-O 3.17Å; M34-M60 HydrophobicContact CG-CE 4.29Å; M34-M60 HydrophobicContact SD-CE 3.76Å
35S68Low70.8Confident1 Ų162.4 Ų62.41%0.00729%0.29CS..EExtended strand (participates in β ladder)trans-129.3139.5174.2-1760000110.9S30 M60 Q62S30-S35 WeakPolarHBondContact CB-OG 3.21Å; S30-S35 PolarHBondContact OG-OG 3.21Å; S35-M60 PolarHBondContact N-O 3.29Å; S35-Q62 PolarHBondContact O-N 3.03Å
36Q72.5Confident70.9Confident64 Ų6462.3 Ų62.330%0.29928%0.279SS..EExtended strand (participates in β ladder)trans-131.6129.5-179.6-78.7177.7-11.300110.4Q62Q36-Q62 WeakPolarHBondContact CA-O 3.38Å; Q36-Q62 HydrophobicContact CG-CB 4.06Å
37S70.5Confident71.1Confident11 Ų1164 Ų648%0.07729%0.287CS..EExtended strand (participates in β ladder)trans-136.8136.3174.6-67.10000111.4Q54 Q62 S63 S64S37-Q54 PolarHBondContact OG-NE2 2.82Å; S37-Q62 PolarHBondContact N-O 3Å; S37-Q62 VanDerWaalsContact N-O 3.08Å; S37-S63 WeakPolarHBondContact O-CA 3.42Å; S37-S64 PolarHBondContact O-N 2.91Å
38S76.6Confident71.3Confident44 Ų4457.8 Ų57.831%0.30826%0.258SS..EExtended strand (participates in β ladder)trans-132.6128.1177.2-172.70000110.2I11 Y12 S64I11-S38 PolarHBondContact O-N 2.87Å; Y12-S38 WeakPolarHBondContact CA-O 2.91Å; S38-S64 WeakPolarHBondContact CA-O 3.25Å
39L74.7Confident71.9Confident8 Ų859.3 Ų59.34%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-128.5122.7179.4179.1139.4000109.7I13 L26 Q41 S64 L65 Q66I13-L39 HydrophobicContact CB-CD1 4.38Å; L26-L39 HydrophobicContact CB-CD1 4.19Å; L26-L39 HydrophobicContact CD1-CD1 3.63Å; L39-Q41 HydrophobicContact CD2-CB 4.36Å; L39-Q41 HydrophobicContact CD2-CG 3.28Å; L39-Q41 HydrophobicContact CG-CG 4.02Å; L39-S64 PolarHBondContact N-O 2.89Å; L39-L65 HydrophobicContact CD2-CD1 3.68Å; L39-L65 HydrophobicContact CD2-CG 3.84Å; L39-Q66 PolarHBondContact O-N 2.79Å
40Q79.8Confident72.4Confident81 Ų8150.9 Ų50.938%0.37923%0.234SC..EExtended strand (participates in β ladder)trans-115.3119.1174.5-172-177.163.500109I13 F14 T15 Q66I13-Q40 PolarHBondContact O-N 3.43Å; F14-Q40 WeakPolarHBondContact CA-O 3.04Å; F14-Q40 HydrophobicContact CD1-CB 3.75Å; F14-Q40 HydrophobicContact CD1-CG 4.29Å; F14-Q40 HydrophobicContact CE1-CB 3.82Å; F14-Q40 HydrophobicContact CE1-CG 4.41Å; T15-Q40 PolarHBondContact N-O 3.07Å; Q40-Q66 CarbonylContact C-O 3.59Å; Q40-Q66 VanDerWaalsContact CA-O 3.32Å; Q40-Q66 WeakPolarHBondContact CA-O 3.32Å; Q40-Q66 HydrophobicContact CG-CB 4.42Å
41Q73.5Confident73.4Confident3 Ų353 Ų531%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-119.8134.3179.8-69.6-101.6-23.300109.8T15 S24 L39 Q66 Q67 R68T15-Q41 VanDerWaalsContact CG2-NE2 3.29Å; T15-Q41 WeakPolarHBondContact OG1-CG 3.37Å; T15-Q41 PolarHBondContact OG1-NE2 3.2Å; T15-Q41 PolarHBondContact OG1-OE1 2.89Å; S24-Q41 VanDerWaalsContact CB-CD 3.47Å; S24-Q41 PolarHBondContact OG-NE2 3.09Å; S24-Q41 PolarHBondContact OG-OE1 3.09Å; S24-Q41 VanDerWaalsContact OG-OE1 3.04Å; L39-Q41 HydrophobicContact CD2-CB 4.36Å; L39-Q41 HydrophobicContact CD2-CG 3.28Å; L39-Q41 HydrophobicContact CG-CG 4.02Å; Q41-Q66 PolarHBondContact N-O 2.82Å; Q41-Q67 VanDerWaalsContact CB-CD 3.43Å; Q41-Q67 VanDerWaalsContact CG-NE2 3.27Å; Q41-Q67 CarbonylContact O-C 3.58Å; Q41-R68 PolarHBondContact O-N 2.86Å
42R78.8Confident74.2Confident95 Ų9545.2 Ų45.236%0.35822%0.219SC..EExtended strand (participates in β ladder)trans-128.4116.2175.1-173.5178.3-178.6-170.3-1.3109.6T15 N16 A17 R68T15-R42 PolarHBondContact O-N 3.27Å; N16-R42 WeakPolarHBondContact CA-O 3.05Å; N16-R42 WeakPolarHBondContact OD1-CB 2.94Å; N16-R42 WeakPolarHBondContact OD1-CD 3.2Å; A17-R42 PolarHBondContact N-O 3.06Å; R42-R68 VanDerWaalsContact CA-O 3.31Å; R42-R68 WeakPolarHBondContact CA-O 3.46Å; R42-R68 HydrophobicContact CG-CB 4.46Å
43S73.3Confident75.2Confident1 Ų147.4 Ų47.41%0.00723%0.228CC..EExtended strand (participates in β ladder)trans-126143.1-176.155.30000111.7S48 R68 S69 R70S43-S48 WeakPolarHBondContact CB-OG 3.32Å; S43-S48 WeakPolarHBondContact OG-CB 2.98Å; S43-S48 PolarHBondContact OG-OG 3.25Å; S43-R68 PolarHBondContact N-O 2.89Å; S43-S69 PolarHBondContact OG-OG 3.26Å; S43-R70 PolarHBondContact O-N 3.02Å
44R76.6Confident75.9Confident120 Ų12040.3 Ų40.345%0.45320%0.195SC..EExtended strand (participates in β ladder)trans-125.4103.4166.6-61.5-171.7-173.2-173.77.4107.7A17 T18 R19 R70A17-R44 PolarHBondContact O-N 3.27Å; T18-R44 WeakPolarHBondContact CA-O 3.41Å; R19-R44 PolarHBondContact N-O 2.92Å; R44-R70 WeakPolarHBondContact CA-O 3.43Å; R44-R70 HydrophobicContact CG-CB 4.32Å
45S72.9Confident76.4Confident16 Ų1642 Ų4211%0.11220%0.197CC..SBendtrans-158.4172-169.657.10000112R19 M47 R70 S71R19-S45 WeakPolarHBondContact O-CA 3.1Å; R19-S45 WeakPolarHBondContact O-CB 3Å; S45-M47 WeakPolarHBondContact CB-O 3.3Å; S45-M47 PolarHBondContact OG-O 2.94Å; S45-R70 PolarHBondContact N-O 2.83Å; S45-S71 WeakPolarHBondContact O-CA 3.37Å; S45-S71 WeakPolarHBondContact O-CB 3.38Å
46Q77.6Confident76.2Confident97 Ų9742 Ų4245%0.45320%0.197SC..SBendtrans-69.2-41.2166.2-75.8-76.3-4.800110L20 S71 Q72 M73L20-Q46 HydrophobicContact CD2-CG 4.26Å; L20-Q46 WeakPolarHBondContact O-CB 3.39Å; L20-Q46 PolarHBondContact O-N 2.96Å; Q46-S71 WeakPolarHBondContact O-CB 3.33Å; Q46-Q72 PolarHBondContact O-N 2.98Å; Q46-Q72 VanDerWaalsContact OE1-CG 3.24Å; Q46-M73 PolarHBondContact O-N 2.9Å; Q46-M73 VanDerWaalsContact O-N 3.13Å
47M77.4Confident76Confident53 Ų5345.2 Ų45.226%0.26121%0.207SC..EExtended strand (participates in β ladder)trans-131.9135.8179.1-171.7-178-6800111.9L20 M21 S22 S45 Q49 M73L20-M47 PolarHBondContact O-N 3.2Å; M21-M47 WeakPolarHBondContact CA-O 3.31Å; M21-M47 HydrophobicContact CE-SD 3.96Å; M21-M47 HydrophobicContact CG-CB 4.37Å; S22-M47 PolarHBondContact N-O 3.26Å; S22-M47 VanDerWaalsContact N-O 3.14Å; S45-M47 WeakPolarHBondContact CB-O 3.3Å; S45-M47 PolarHBondContact OG-O 2.94Å; M47-Q49 HydrophobicContact CG-CG 4.18Å; M47-Q49 HydrophobicContact SD-CG 4.21Å; M47-M73 WeakPolarHBondContact CA-O 3.33Å; M47-M73 HydrophobicContact CE-SD 4.06Å; M47-M73 HydrophobicContact CG-CB 4.49Å
48S79.8Confident75.5Confident0 Ų045.2 Ų45.20%021%0.207CC..EExtended strand (participates in β ladder)trans-122.9124.3173.5-176.60000110.1S43 M73 S74 Q75S43-S48 WeakPolarHBondContact CB-OG 3.32Å; S43-S48 WeakPolarHBondContact OG-CB 2.98Å; S43-S48 PolarHBondContact OG-OG 3.25Å; S48-M73 PolarHBondContact N-O 2.86Å; S48-S74 WeakPolarHBondContact O-CA 3.49Å; S48-Q75 PolarHBondContact O-N 2.89Å
49Q81.1Confident74.9Confident55 Ų5548.5 Ų48.526%0.25722%0.217SC..EExtended strand (participates in β ladder)trans-124.3130.9178.6-63.9-179.9-36.600110.7S22 Q23 S24 M47 Q75S22-Q49 PolarHBondContact O-N 2.91Å; Q23-Q49 WeakPolarHBondContact CA-O 3.43Å; Q23-Q49 HydrophobicContact CG-CB 4.28Å; S24-Q49 PolarHBondContact N-O 3.42Å; S24-Q49 VanDerWaalsContact N-O 3.14Å; M47-Q49 HydrophobicContact CG-CG 4.18Å; M47-Q49 HydrophobicContact SD-CG 4.21Å; Q49-Q75 WeakPolarHBondContact CA-O 3.36Å; Q49-Q75 HydrophobicContact CG-CB 4.24Å
50S79.3Confident74.4Confident5 Ų551.3 Ų51.34%0.03523%0.231CC..EExtended strand (participates in β ladder)trans-134.3132.1174.8-80.60000112S24 Q67 Q75 S76 S77S24-S50 WeakPolarHBondContact O-CA 3.29Å; S50-Q67 VanDerWaalsContact OG-CD 3.31Å; S50-Q67 PolarHBondContact OG-NE2 2.85Å; S50-Q67 PolarHBondContact OG-OE1 2.89Å; S50-Q67 VanDerWaalsContact OG-OE1 3.12Å; S50-Q75 PolarHBondContact N-O 2.87Å; S50-S76 CarbonylContact O-C 3.59Å; S50-S76 WeakPolarHBondContact O-CA 3.38Å; S50-S77 PolarHBondContact O-N 3.08Å
51S81.6Confident74Confident49 Ų4947.5 Ų47.534%0.34321%0.213SC..EExtended strand (participates in β ladder)trans-126.1130.9176.858.80000111.3S24 S25 L26 S77S24-S51 PolarHBondContact O-N 3.45Å; S25-S51 WeakPolarHBondContact CA-O 3.38Å; S25-S51 WeakPolarHBondContact CB-OG 3.42Å; S25-S51 PolarHBondContact OG-OG 2.83Å; L26-S51 PolarHBondContact N-O 2.91Å; S51-S77 CarbonylContact C-O 3.57Å; S51-S77 VanDerWaalsContact CA-O 3.28Å; S51-S77 WeakPolarHBondContact CA-O 3.16Å
52L81.3Confident74.2Confident4 Ų451 Ų512%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-121.6118.9174.1-17469.6000109.6L26 Q54 L65 S77 L78 Q79L26-L52 HydrophobicContact CB-CD1 3.81Å; L26-L52 HydrophobicContact CD1-CD1 4.19Å; L26-L52 HydrophobicContact CD2-CD1 3.77Å; L26-L52 HydrophobicContact CG-CD1 4.14Å; L52-Q54 HydrophobicContact CD1-CG 4.21Å; L52-Q54 HydrophobicContact CD2-CG 3.93Å; L52-Q54 HydrophobicContact CG-CG 3.8Å; L52-L65 HydrophobicContact CB-CD1 3.75Å; L52-L65 HydrophobicContact CD2-CD1 4.24Å; L52-S77 PolarHBondContact N-O 3.5Å; L52-L78 HydrophobicContact CB-CB 4.43Å; L52-L78 HydrophobicContact CB-CD1 4.46Å; L52-L78 HydrophobicContact CB-CG 4.27Å; L52-L78 HydrophobicContact CD2-CD1 3.67Å; L52-L78 HydrophobicContact CD2-CG 4.09Å; L52-L78 CarbonylContact O-C 3.57Å; L52-L78 WeakPolarHBondContact O-CA 3.31Å; L52-Q79 PolarHBondContact O-N 2.81Å
53Q81.5Confident74.1Confident62 Ų6246.7 Ų46.729%0.2921%0.214SC..EExtended strand (participates in β ladder)trans-112.2123.5170.6-113-172.223.200110.3L26 Q27 Q28 Q79L26-Q53 PolarHBondContact O-N 2.83Å; Q27-Q53 CarbonylContact C-O 3.58Å; Q27-Q53 VanDerWaalsContact CA-O 3.31Å; Q27-Q53 WeakPolarHBondContact CA-O 3.39Å; Q27-Q53 HydrophobicContact CG-CB 4.33Å; Q28-Q53 PolarHBondContact N-O 2.93Å; Q53-Q79 CarbonylContact C-O 3.59Å; Q53-Q79 WeakPolarHBondContact CA-O 3.39Å; Q53-Q79 HydrophobicContact CG-CB 3.77Å
54Q73.6Confident74.5Confident1 Ų148.7 Ų48.71%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-127.7124.6-175.2-73.6-88.8-5.700109.2Q28 S37 L52 Q79 Q80 R81Q28-Q54 HydrophobicContact CB-CG 4.34Å; S37-Q54 PolarHBondContact OG-NE2 2.82Å; L52-Q54 HydrophobicContact CD1-CG 4.21Å; L52-Q54 HydrophobicContact CD2-CG 3.93Å; L52-Q54 HydrophobicContact CG-CG 3.8Å; Q54-Q79 PolarHBondContact N-O 2.85Å; Q54-Q80 HydrophobicContact CB-CG 4.4Å; Q54-Q80 VanDerWaalsContact CB-NE2 3.29Å; Q54-Q80 VanDerWaalsContact CG-NE2 3.26Å; Q54-Q80 CarbonylContact O-C 3.59Å; Q54-Q80 WeakPolarHBondContact O-CA 3.35Å; Q54-R81 PolarHBondContact O-N 2.78Å
55R73.3Confident74.7Confident111 Ų11143 Ų4342%0.41921%0.207SC..EExtended strand (participates in β ladder)trans-121.6105.1178.5-69.5-172.5177.8-132.95.9109.3Q28 R29 S30 R81Q28-R55 PolarHBondContact O-N 2.92Å; R29-R55 VanDerWaalsContact CA-O 3.32Å; R29-R55 WeakPolarHBondContact CA-O 3.43Å; R29-R55 HydrophobicContact CG-CB 4.33Å; S30-R55 PolarHBondContact N-O 3.01Å; R55-R81 CarbonylContact C-O 3.55Å; R55-R81 WeakPolarHBondContact CA-O 3.47Å; R55-R81 HydrophobicContact CG-CB 4.18Å
56S65.6Low75.2Confident1 Ų145 Ų451%0.00721%0.214CC..EExtended strand (participates in β ladder)trans-120.3128.1-172.6-68.60000110.8S61 R81 S82 R83S56-S61 VanDerWaalsContact CB-OG 3.31Å; S56-S61 WeakPolarHBondContact CB-OG 3.36Å; S56-S61 PolarHBondContact OG-OG 2.82Å; S56-R81 PolarHBondContact N-O 2.97Å; S56-S82 WeakPolarHBondContact O-CA 3.32Å; S56-R83 PolarHBondContact O-N 3.03Å
57R66.6Low75.2Confident132 Ų13240.5 Ų40.550%0.49819%0.193SC..  trans-112.740.1163.6-58.7-173.3176.7-172.10.2115.8S30 R83S30-R57 PolarHBondContact O-N 2.98Å; R57-R83 HydrophobicContact CG-CB 4.34Å
58P60.1Low75.4Confident12 Ų1242.8 Ų42.88%0.07820%0.199CC..SBendtrans-83-167.7176.331.9-34000114P32 Q33 M60 P84P32-P58 WeakPolarHBondContact O-CA 3.39Å; P32-P58 WeakPolarHBondContact O-CB 2.93Å; Q33-P58 VanDerWaalsContact O-CB 3.29Å; Q33-P58 WeakPolarHBondContact O-CB 2.86Å; P58-M60 WeakPolarHBondContact CB-O 3.35Å; P58-M60 VanDerWaalsContact CG-C 3.49Å; P58-M60 WeakPolarHBondContact CG-O 3.45Å; P58-P84 HydrophobicContact CG-CB 3.99Å; P58-P84 HydrophobicContact CG-CG 4.37Å; P58-P84 WeakPolarHBondContact O-CA 3.31Å; P58-P84 WeakPolarHBondContact O-CB 3.49Å
59Q63.7Low75.1Confident112 Ų11242.8 Ų42.852%0.52320%0.199SC..SBendtrans-80.5-27.9156.8-81.8-172-31.800112.5Q33 P84 Q85 M86Q33-Q59 PolarHBondContact O-N 2.91Å; Q59-P84 WeakPolarHBondContact O-CB 3.37Å; Q59-Q85 PolarHBondContact O-N 3.04Å; Q59-M86 PolarHBondContact O-N 2.87Å
60M65.3Low74.9Confident68 Ų6844.4 Ų44.434%0.33520%0.203SC..EExtended strand (participates in β ladder)trans-142.1135.4177.9-64.7-174.8-81.700112.7M34 S35 P58 M86M34-M60 CarbonylContact C-O 3.55Å; M34-M60 WeakPolarHBondContact CA-O 3.04Å; M34-M60 HydrophobicContact CB-CB 4.24Å; M34-M60 WeakPolarHBondContact CB-O 3.17Å; M34-M60 HydrophobicContact CG-CE 4.29Å; M34-M60 HydrophobicContact SD-CE 3.76Å; S35-M60 PolarHBondContact N-O 3.29Å; P58-M60 WeakPolarHBondContact CB-O 3.35Å; P58-M60 VanDerWaalsContact CG-C 3.49Å; P58-M60 WeakPolarHBondContact CG-O 3.45Å; M60-M86 WeakPolarHBondContact CA-O 3.44Å; M60-M86 HydrophobicContact CG-CB 4.36Å; M60-M86 HydrophobicContact CG-CE 3.94Å; M60-M86 HydrophobicContact SD-CE 3.75Å
61S72.1Confident74.5Confident1 Ų145 Ų451%0.00721%0.207CC..EExtended strand (participates in β ladder)trans-121.5128.8173.4-169.70000110.8S56 M86 Q88S56-S61 VanDerWaalsContact CB-OG 3.31Å; S56-S61 WeakPolarHBondContact CB-OG 3.36Å; S56-S61 PolarHBondContact OG-OG 2.82Å; S61-M86 PolarHBondContact N-O 2.82Å; S61-M86 VanDerWaalsContact N-O 3.09Å; S61-Q88 PolarHBondContact O-N 2.89Å
62Q76.7Confident74.3Confident75 Ų7547.9 Ų47.935%0.3522%0.215SC..EExtended strand (participates in β ladder)trans-124127.9177.5-80.7175-12.500110.4S35 Q36 S37 Q88S35-Q62 PolarHBondContact O-N 3.03Å; Q36-Q62 WeakPolarHBondContact CA-O 3.38Å; Q36-Q62 HydrophobicContact CG-CB 4.06Å; S37-Q62 PolarHBondContact N-O 3Å; S37-Q62 VanDerWaalsContact N-O 3.08Å; Q62-Q88 WeakPolarHBondContact CA-O 3.31Å; Q62-Q88 HydrophobicContact CG-CB 4.01Å
63S76.1Confident74.1Confident5 Ų550.3 Ų50.34%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-135.3133.2176-72.30000111.8S37 Q80 Q88 S89 S90S37-S63 WeakPolarHBondContact O-CA 3.42Å; S63-Q80 PolarHBondContact OG-NE2 2.85Å; S63-Q80 PolarHBondContact OG-OE1 2.86Å; S63-Q88 PolarHBondContact N-O 2.95Å; S63-S89 CarbonylContact O-C 3.56Å; S63-S89 VanDerWaalsContact O-CA 3.29Å; S63-S89 WeakPolarHBondContact O-CA 3.42Å; S63-S90 PolarHBondContact O-N 2.99Å
64S81.7Confident74Confident44 Ų4447.3 Ų47.331%0.30821%0.213SC..EExtended strand (participates in β ladder)trans-126.6130.9175.2-166.70000110.9S37 S38 L39 S90S37-S64 PolarHBondContact O-N 2.91Å; S38-S64 WeakPolarHBondContact CA-O 3.25Å; L39-S64 PolarHBondContact N-O 2.89Å; S64-S90 CarbonylContact C-O 3.58Å; S64-S90 VanDerWaalsContact CA-O 3.31Å; S64-S90 WeakPolarHBondContact CA-O 3.36Å; S64-S90 WeakPolarHBondContact CB-OG 3.42Å; S64-S90 PolarHBondContact OG-OG 2.84Å
65L81.9Confident74.4Confident0 Ų050 Ų500%023%0.225CC..EExtended strand (participates in β ladder)trans-126.5113.6176.7-173.5136.8000109.9L39 L52 Q67 L78 S90 L91 Q92L39-L65 HydrophobicContact CD2-CD1 3.68Å; L39-L65 HydrophobicContact CD2-CG 3.84Å; L52-L65 HydrophobicContact CB-CD1 3.75Å; L52-L65 HydrophobicContact CD2-CD1 4.24Å; L65-Q67 HydrophobicContact CD2-CG 3.34Å; L65-Q67 HydrophobicContact CG-CG 4.25Å; L65-L78 HydrophobicContact CB-CD1 3.93Å; L65-S90 PolarHBondContact N-O 2.79Å; L65-L91 HydrophobicContact CB-CD1 4.46Å; L65-L91 HydrophobicContact CB-CG 4.43Å; L65-L91 HydrophobicContact CD2-CD1 3.49Å; L65-L91 VanDerWaalsContact CD2-CD1 3.49Å; L65-L91 HydrophobicContact CD2-CG 3.73Å; L65-L91 HydrophobicContact CG-CD1 4.49Å; L65-L91 CarbonylContact O-C 3.58Å; L65-L91 VanDerWaalsContact O-CA 3.3Å; L65-L91 WeakPolarHBondContact O-CA 3.37Å; L65-Q92 PolarHBondContact O-N 2.86Å
66Q83.4Confident74.9Confident59 Ų5945 Ų4528%0.27621%0.207SC..EExtended strand (participates in β ladder)trans-109.2124.8175.3-169.4179.642.500109.9L39 Q40 Q41 Q92L39-Q66 PolarHBondContact O-N 2.79Å; Q40-Q66 CarbonylContact C-O 3.59Å; Q40-Q66 VanDerWaalsContact CA-O 3.32Å; Q40-Q66 WeakPolarHBondContact CA-O 3.32Å; Q40-Q66 HydrophobicContact CG-CB 4.42Å; Q41-Q66 PolarHBondContact N-O 2.82Å; Q66-Q92 CarbonylContact C-O 3.59Å; Q66-Q92 WeakPolarHBondContact CA-O 3.27Å; Q66-Q92 HydrophobicContact CG-CB 4.43Å
67Q76.9Confident75.8Confident1 Ų146.8 Ų46.81%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-124.8131.6-178.7-67-79.3-25.100109.9Q41 S50 L65 Q92 Q93 R94Q41-Q67 VanDerWaalsContact CB-CD 3.43Å; Q41-Q67 VanDerWaalsContact CG-NE2 3.27Å; Q41-Q67 CarbonylContact O-C 3.58Å; S50-Q67 VanDerWaalsContact OG-CD 3.31Å; S50-Q67 PolarHBondContact OG-NE2 2.85Å; S50-Q67 PolarHBondContact OG-OE1 2.89Å; S50-Q67 VanDerWaalsContact OG-OE1 3.12Å; L65-Q67 HydrophobicContact CD2-CG 3.34Å; L65-Q67 HydrophobicContact CG-CG 4.25Å; Q67-Q92 PolarHBondContact N-O 2.87Å; Q67-Q93 VanDerWaalsContact CB-CD 3.48Å; Q67-R94 PolarHBondContact O-N 2.87Å
68R81.4Confident76.6Confident101 Ų10140.5 Ų40.538%0.38120%0.196SC..EExtended strand (participates in β ladder)trans-128100.7176.4-169.5176.4-176.4-175.71.9109.9Q41 R42 S43 R94Q41-R68 PolarHBondContact O-N 2.86Å; R42-R68 VanDerWaalsContact CA-O 3.31Å; R42-R68 WeakPolarHBondContact CA-O 3.46Å; R42-R68 HydrophobicContact CG-CB 4.46Å; S43-R68 PolarHBondContact N-O 2.89Å; R68-R94 CarbonylContact C-O 3.55Å; R68-R94 VanDerWaalsContact CA-O 3.31Å; R68-R94 WeakPolarHBondContact CA-O 3.32Å; R68-R94 HydrophobicContact CG-CB 4.41Å
69S73.9Confident77.7Confident0 Ų042.5 Ų42.50%020%0.204CC..EExtended strand (participates in β ladder)trans-110.5134.3-176.5-48.40000110.7S43 S74 R94 S95 R96S43-S69 PolarHBondContact OG-OG 3.26Å; S69-S74 WeakPolarHBondContact CB-OG 3.38Å; S69-S74 PolarHBondContact OG-OG 3.02Å; S69-R94 PolarHBondContact N-O 2.79Å; S69-S95 WeakPolarHBondContact O-CA 3.32Å; S69-R96 PolarHBondContact O-N 3.12Å
70R77.5Confident78.3Confident90 Ų9037.2 Ų37.234%0.3418%0.18SC..EExtended strand (participates in β ladder)trans-114.693.8162.6-63.6-174.7176.8-179.7-2.1107S43 R44 S45 R96S43-R70 PolarHBondContact O-N 3.02Å; R44-R70 WeakPolarHBondContact CA-O 3.43Å; R44-R70 HydrophobicContact CG-CB 4.32Å; S45-R70 PolarHBondContact N-O 2.83Å; R70-R96 HydrophobicContact CG-CB 4.3Å
71S71.3Confident78.7Confident17 Ų1738.7 Ų38.712%0.11918%0.181CC..SBendtrans-149.1-172.3-169.458.70000113.6S45 Q46 M73 R96 S97S45-S71 WeakPolarHBondContact O-CA 3.37Å; S45-S71 WeakPolarHBondContact O-CB 3.38Å; Q46-S71 WeakPolarHBondContact O-CB 3.33Å; S71-M73 PolarHBondContact OG-O 2.85Å; S71-R96 PolarHBondContact N-O 2.85Å; S71-S97 WeakPolarHBondContact O-CA 3.35Å; S71-S97 WeakPolarHBondContact O-CB 3.42Å
72Q75.6Confident78.4Confident110 Ų11038.7 Ų38.751%0.51418%0.182SC..SBendtrans-85.5-41.1161.3-75.9-171.4-17.200110.4Q46 S97 Q98 M99Q46-Q72 PolarHBondContact O-N 2.98Å; Q46-Q72 VanDerWaalsContact OE1-CG 3.24Å; Q72-S97 WeakPolarHBondContact O-CB 3.33Å; Q72-Q98 PolarHBondContact O-N 2.89Å; Q72-M99 PolarHBondContact O-N 3.28Å
73M77.3Confident77.8Confident54 Ų5441.6 Ų41.627%0.26619%0.189SC..EExtended strand (participates in β ladder)trans-128.9136.9-178.5-170.5179.9-6900111.9Q46 M47 S48 S71 Q75 M99Q46-M73 PolarHBondContact O-N 2.9Å; Q46-M73 VanDerWaalsContact O-N 3.13Å; M47-M73 WeakPolarHBondContact CA-O 3.33Å; M47-M73 HydrophobicContact CE-SD 4.06Å; M47-M73 HydrophobicContact CG-CB 4.49Å; S48-M73 PolarHBondContact N-O 2.86Å; S71-M73 PolarHBondContact OG-O 2.85Å; M73-Q75 HydrophobicContact CG-CG 4.2Å; M73-Q75 HydrophobicContact SD-CG 4.22Å; M73-M99 HydrophobicContact CE-SD 4.11Å
74S79.9Confident76.8Confident0 Ų041.5 Ų41.50%019%0.189CC..EExtended strand (participates in β ladder)trans-126.2124.2170.2-170.50000109.6S48 S69 M99 S100 Q101S48-S74 WeakPolarHBondContact O-CA 3.49Å; S69-S74 WeakPolarHBondContact CB-OG 3.38Å; S69-S74 PolarHBondContact OG-OG 3.02Å; S74-M99 PolarHBondContact N-O 2.94Å; S74-S100 CarbonylContact O-C 3.54Å; S74-S100 WeakPolarHBondContact O-CA 3.46Å; S74-Q101 PolarHBondContact O-N 2.87Å
75Q83.2Confident75.8Confident57 Ų5745 Ų4527%0.26620%0.2SC..EExtended strand (participates in β ladder)trans-121132.9176.8-65.6-177.6-31.500110.1S48 Q49 S50 M73 Q101S48-Q75 PolarHBondContact O-N 2.89Å; Q49-Q75 WeakPolarHBondContact CA-O 3.36Å; Q49-Q75 HydrophobicContact CG-CB 4.24Å; S50-Q75 PolarHBondContact N-O 2.87Å; M73-Q75 HydrophobicContact CG-CG 4.2Å; M73-Q75 HydrophobicContact SD-CG 4.22Å; Q75-Q101 WeakPolarHBondContact CA-O 2.71Å; Q75-Q101 HydrophobicContact CG-CB 4.27Å
76S82.1Confident74.9Confident7 Ų748.5 Ų48.55%0.04922%0.217CC..EExtended strand (participates in β ladder)trans-136.7133175.4-71.70000112.2S50 Q93 Q101 S102 S103S50-S76 CarbonylContact O-C 3.59Å; S50-S76 WeakPolarHBondContact O-CA 3.38Å; S76-Q93 PolarHBondContact OG-NE2 2.96Å; S76-Q93 PolarHBondContact OG-OE1 3.16Å; S76-Q101 PolarHBondContact N-O 2.86Å; S76-S102 CarbonylContact O-C 3.58Å; S76-S102 VanDerWaalsContact O-CA 3.27Å; S76-S102 WeakPolarHBondContact O-CA 3.06Å; S76-S103 PolarHBondContact O-N 2.85Å
77S84.5Confident74.4Confident38 Ų3845.8 Ų45.827%0.26621%0.205SC..EExtended strand (participates in β ladder)trans-128.4129.6178-173.50000109.8S50 S51 L52 S103S50-S77 PolarHBondContact O-N 3.08Å; S51-S77 CarbonylContact C-O 3.57Å; S51-S77 VanDerWaalsContact CA-O 3.28Å; S51-S77 WeakPolarHBondContact CA-O 3.16Å; L52-S77 PolarHBondContact N-O 3.5Å; S77-S103 CarbonylContact C-O 3.59Å; S77-S103 WeakPolarHBondContact CA-O 3.45Å
78L84.3Confident74.4Confident0 Ų049.5 Ų49.50%022%0.222CC..EExtended strand (participates in β ladder)trans-128.6118.2175.3178.1154.1000108.7L52 L65 Q80 L91 S103 L104 Q105L52-L78 HydrophobicContact CB-CB 4.43Å; L52-L78 HydrophobicContact CB-CD1 4.46Å; L52-L78 HydrophobicContact CB-CG 4.27Å; L52-L78 HydrophobicContact CD2-CD1 3.67Å; L52-L78 HydrophobicContact CD2-CG 4.09Å; L52-L78 CarbonylContact O-C 3.57Å; L52-L78 WeakPolarHBondContact O-CA 3.31Å; L65-L78 HydrophobicContact CB-CD1 3.93Å; L78-Q80 HydrophobicContact CD2-CG 3.32Å; L78-Q80 HydrophobicContact CG-CG 4.33Å; L78-L91 HydrophobicContact CB-CD1 4.14Å; L78-S103 PolarHBondContact N-O 2.88Å; L78-L104 HydrophobicContact CB-CD2 3.6Å; L78-L104 HydrophobicContact CD1-CD2 4.39Å; L78-L104 HydrophobicContact CD2-CD2 4Å; L78-L104 HydrophobicContact CG-CD2 4.21Å; L78-L104 CarbonylContact O-C 3.58Å; L78-L104 WeakPolarHBondContact O-CA 3.36Å; L78-Q105 PolarHBondContact O-N 2.89Å
79Q83.3Confident74.2Confident54 Ų5445 Ų4525%0.25221%0.206SC..EExtended strand (participates in β ladder)trans-113.8121.2177.6-63.9-176.111.500109.4L52 Q53 Q54 Q105L52-Q79 PolarHBondContact O-N 2.81Å; Q53-Q79 CarbonylContact C-O 3.59Å; Q53-Q79 WeakPolarHBondContact CA-O 3.39Å; Q53-Q79 HydrophobicContact CG-CB 3.77Å; Q54-Q79 PolarHBondContact N-O 2.85Å; Q79-Q105 CarbonylContact C-O 3.6Å; Q79-Q105 WeakPolarHBondContact CA-O 3.32Å; Q79-Q105 HydrophobicContact CG-CB 4.26Å
80Q75.4Confident74.7Confident1 Ų147 Ų471%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-118.7126.8179.6-66.1-80-19.600108.6Q54 S63 L78 Q105 R107Q54-Q80 HydrophobicContact CB-CG 4.4Å; Q54-Q80 VanDerWaalsContact CB-NE2 3.29Å; Q54-Q80 VanDerWaalsContact CG-NE2 3.26Å; Q54-Q80 CarbonylContact O-C 3.59Å; Q54-Q80 WeakPolarHBondContact O-CA 3.35Å; S63-Q80 PolarHBondContact OG-NE2 2.85Å; S63-Q80 PolarHBondContact OG-OE1 2.86Å; L78-Q80 HydrophobicContact CD2-CG 3.32Å; L78-Q80 HydrophobicContact CG-CG 4.33Å; Q80-Q105 PolarHBondContact N-O 2.77Å; Q80-R107 PolarHBondContact O-N 2.82Å
81R73.9Confident74.9Confident98 Ų9842.8 Ų42.837%0.3721%0.205SC..EExtended strand (participates in β ladder)trans-121.6105.2173.4-70.8-178.3178.1-114.14.8107.4Q54 R55 S56 R107Q54-R81 PolarHBondContact O-N 2.78Å; R55-R81 CarbonylContact C-O 3.55Å; R55-R81 WeakPolarHBondContact CA-O 3.47Å; R55-R81 HydrophobicContact CG-CB 4.18Å; S56-R81 PolarHBondContact N-O 2.97Å; R81-R107 WeakPolarHBondContact CA-O 3.41Å; R81-R107 HydrophobicContact CG-CB 4.23Å
82S65.3Low75.6Confident2 Ų244.1 Ų44.11%0.01421%0.209CC..EExtended strand (participates in β ladder)trans-119.5124.6-170.4-69.60000108.2S56 S87 R107 S108 R109S56-S82 WeakPolarHBondContact O-CA 3.32Å; S82-S87 PolarHBondContact OG-OG 3Å; S82-R107 PolarHBondContact N-O 3.05Å; S82-S108 VanDerWaalsContact O-CA 3.32Å; S82-S108 WeakPolarHBondContact O-CA 3.2Å; S82-R109 PolarHBondContact O-N 3.46Å
83R64.5Low75.7Confident135 Ų13538.9 Ų38.951%0.50918%0.184SC..  trans-102.427.1158.9-60-174.8176.2-174.8-1.9116.8S56 R57 R109S56-R83 PolarHBondContact O-N 3.03Å; R57-R83 HydrophobicContact CG-CB 4.34Å; R83-R109 HydrophobicContact CG-CB 4.34Å
84P55.6Low75.8Confident3 Ų341.2 Ų41.22%0.01919%0.19CC..SBendtrans-94.5159.3174.439-36000115P58 Q59 M86 P110P58-P84 HydrophobicContact CG-CB 3.99Å; P58-P84 HydrophobicContact CG-CG 4.37Å; P58-P84 WeakPolarHBondContact O-CA 3.31Å; P58-P84 WeakPolarHBondContact O-CB 3.49Å; Q59-P84 WeakPolarHBondContact O-CB 3.37Å; P84-M86 VanDerWaalsContact CG-O 3.25Å; P84-M86 WeakPolarHBondContact CG-O 3.31Å; P84-M86 PolarHBondContact O-N 2.93Å; P84-M86 VanDerWaalsContact O-N 3.09Å; P84-P110 WeakPolarHBondContact O-CB 3.4Å; P84-P110 WeakPolarHBondContact O-CD 3.45Å; P84-P110 WeakPolarHBondContact O-CG 3.49Å
85Q60.3Low75.4Confident117 Ų11741.3 Ų41.355%0.54719%0.191SC..SBendtrans-48.3-36.8173.4-84.7-166.1-27.500113.3Q59 M112Q59-Q85 PolarHBondContact O-N 3.04Å; Q85-M112 PolarHBondContact O-N 3.06Å
86M64.2Low74.9Confident75 Ų7544 Ų4437%0.36920%0.199SC..EExtended strand (participates in β ladder)trans-135.8138.2-179.6-64.5-175.6-82.200113.5Q59 M60 S61 P84 M112Q59-M86 PolarHBondContact O-N 2.87Å; M60-M86 WeakPolarHBondContact CA-O 3.44Å; M60-M86 HydrophobicContact CG-CB 4.36Å; M60-M86 HydrophobicContact CG-CE 3.94Å; M60-M86 HydrophobicContact SD-CE 3.75Å; S61-M86 PolarHBondContact N-O 2.82Å; S61-M86 VanDerWaalsContact N-O 3.09Å; P84-M86 VanDerWaalsContact CG-O 3.25Å; P84-M86 WeakPolarHBondContact CG-O 3.31Å; P84-M86 PolarHBondContact O-N 2.93Å; P84-M86 VanDerWaalsContact O-N 3.09Å; M86-M112 WeakPolarHBondContact CA-O 3.45Å; M86-M112 HydrophobicContact CG-CB 4.49Å
87S72.1Confident74Confident2 Ų243.9 Ų43.91%0.01420%0.198CC..EExtended strand (participates in β ladder)trans-123.3126.7169.9-167.30000110.3S82 Q106 M112 Q114S82-S87 PolarHBondContact OG-OG 3Å; S87-Q106 PolarHBondContact OG-OE1 2.9Å; S87-M112 PolarHBondContact N-O 3.07Å; S87-Q114 PolarHBondContact O-N 3.28Å
88Q76.9Confident73.1Confident78 Ų7847.2 Ų47.236%0.36421%0.209SC..EExtended strand (participates in β ladder)trans-120129.2175.2-78.4-179.4-19.300110.2S61 Q62 S63 Q114S61-Q88 PolarHBondContact O-N 2.89Å; Q62-Q88 WeakPolarHBondContact CA-O 3.31Å; Q62-Q88 HydrophobicContact CG-CB 4.01Å; S63-Q88 PolarHBondContact N-O 2.95Å; Q88-Q114 WeakPolarHBondContact CA-O 3.5Å; Q88-Q114 HydrophobicContact CG-CB 4.23Å
89S77.6Confident72.7Confident6 Ų649.6 Ų49.64%0.04222%0.221CC..EExtended strand (participates in β ladder)trans-137.5133.9175-66.40000112.5S63 Q106 Q114 S115 S116S63-S89 CarbonylContact O-C 3.56Å; S63-S89 VanDerWaalsContact O-CA 3.29Å; S63-S89 WeakPolarHBondContact O-CA 3.42Å; S89-Q106 PolarHBondContact OG-NE2 3.25Å; S89-Q114 PolarHBondContact N-O 3.15Å; S89-S115 WeakPolarHBondContact O-CA 3.49Å; S89-S116 PolarHBondContact O-N 3.26Å; S89-S116 PolarHBondContact O-OG 2.99Å
90S83.3Confident72.5Confident42 Ų4247 Ų4729%0.29421%0.209SC..EExtended strand (participates in β ladder)trans-123.4131.9173.1610000110.4S63 S64 L65 S116S63-S90 PolarHBondContact O-N 2.99Å; S64-S90 CarbonylContact C-O 3.58Å; S64-S90 VanDerWaalsContact CA-O 3.31Å; S64-S90 WeakPolarHBondContact CA-O 3.36Å; S64-S90 WeakPolarHBondContact CB-OG 3.42Å; S64-S90 PolarHBondContact OG-OG 2.84Å; L65-S90 PolarHBondContact N-O 2.79Å; S90-S116 WeakPolarHBondContact CA-OG 3.47Å; S90-S116 WeakPolarHBondContact CB-OG 3.48Å
91L83.3Confident72.8Confident3 Ų349.8 Ų49.82%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-128.1121.3170.7175.3153.3000109.2L65 L78 Q93 L104 S116 L117 Q118L65-L91 HydrophobicContact CB-CD1 4.46Å; L65-L91 HydrophobicContact CB-CG 4.43Å; L65-L91 HydrophobicContact CD2-CD1 3.49Å; L65-L91 VanDerWaalsContact CD2-CD1 3.49Å; L65-L91 HydrophobicContact CD2-CG 3.73Å; L65-L91 HydrophobicContact CG-CD1 4.49Å; L65-L91 CarbonylContact O-C 3.58Å; L65-L91 VanDerWaalsContact O-CA 3.3Å; L65-L91 WeakPolarHBondContact O-CA 3.37Å; L78-L91 HydrophobicContact CB-CD1 4.14Å; L91-Q93 HydrophobicContact CD2-CG 3.5Å; L91-Q93 VanDerWaalsContact CD2-CG 3.5Å; L91-L104 HydrophobicContact CB-CD1 4.32Å; L91-L104 HydrophobicContact CB-CD2 3.59Å; L91-L104 HydrophobicContact CD1-CD2 3.4Å; L91-L104 VanDerWaalsContact CD1-CD2 3.4Å; L91-L104 HydrophobicContact CD2-CD2 4.46Å; L91-L104 HydrophobicContact CG-CD2 3.99Å; L91-S116 PolarHBondContact N-O 2.83Å; L91-L117 HydrophobicContact CB-CD2 3.77Å; L91-L117 HydrophobicContact CD2-CD2 3.33Å; L91-L117 HydrophobicContact CG-CD2 4.04Å; L91-Q118 PolarHBondContact O-N 2.72Å
92Q84.1Confident73.3Confident44 Ų4445.4 Ų45.421%0.20621%0.206CC..EExtended strand (participates in β ladder)trans-114.6117.3178.5-171.6-17951.500109.3L65 Q66 Q67 Q118L65-Q92 PolarHBondContact O-N 2.86Å; Q66-Q92 CarbonylContact C-O 3.59Å; Q66-Q92 WeakPolarHBondContact CA-O 3.27Å; Q66-Q92 HydrophobicContact CG-CB 4.43Å; Q67-Q92 PolarHBondContact N-O 2.87Å; Q92-Q118 CarbonylContact C-O 3.54Å; Q92-Q118 WeakPolarHBondContact CA-O 3.48Å; Q92-Q118 HydrophobicContact CG-CB 4.43Å
93Q77.9Confident74.2Confident1 Ų147 Ų471%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-108.4129.7174.3-60.5-69.2-44.400110.1Q67 S76 L91 S102 Q118 Q119 R120Q67-Q93 VanDerWaalsContact CB-CD 3.48Å; S76-Q93 PolarHBondContact OG-NE2 2.96Å; S76-Q93 PolarHBondContact OG-OE1 3.16Å; L91-Q93 HydrophobicContact CD2-CG 3.5Å; L91-Q93 VanDerWaalsContact CD2-CG 3.5Å; Q93-S102 VanDerWaalsContact CG-OG 3.32Å; Q93-S102 WeakPolarHBondContact CG-OG 3.42Å; Q93-Q118 PolarHBondContact N-O 3.35Å; Q93-Q119 HydrophobicContact CB-CG 4.32Å; Q93-Q119 HydrophobicContact CG-CG 4.48Å; Q93-R120 PolarHBondContact O-N 2.8Å
94R81.1Confident75.1Confident102 Ų10240.5 Ų40.539%0.38519%0.193SC..EExtended strand (participates in β ladder)trans-122.1105.5168.2-69.8-176.1177.4-166.8-0.3108.5Q67 R68 S69 R120Q67-R94 PolarHBondContact O-N 2.87Å; R68-R94 CarbonylContact C-O 3.55Å; R68-R94 VanDerWaalsContact CA-O 3.31Å; R68-R94 WeakPolarHBondContact CA-O 3.32Å; R68-R94 HydrophobicContact CG-CB 4.41Å; S69-R94 PolarHBondContact N-O 2.79Å; R94-R120 CarbonylContact C-O 3.56Å; R94-R120 WeakPolarHBondContact CA-O 3.39Å; R94-R120 HydrophobicContact CG-CB 4.34Å
95S70.9Confident76.4Confident3 Ų342.2 Ų42.22%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-110.8136.7177.959.90000111.4S69 S97 R120 S121 R122S69-S95 WeakPolarHBondContact O-CA 3.32Å; S95-S97 WeakPolarHBondContact CB-OG 3.28Å; S95-R120 PolarHBondContact N-O 3.03Å; S95-S121 WeakPolarHBondContact O-CA 3.43Å; S95-S121 WeakPolarHBondContact OG-CA 3.39Å; S95-S121 WeakPolarHBondContact OG-CB 3.38Å; S95-R122 PolarHBondContact O-N 3.05Å
96R73.1Confident77.1Confident113 Ų11336.8 Ų36.843%0.42618%0.175SC..  trans-113.875.7162.8-64.7-174176.8-176.2-4.4106.4S69 R70 S71 R122S69-R96 PolarHBondContact O-N 3.12Å; R70-R96 HydrophobicContact CG-CB 4.3Å; S71-R96 PolarHBondContact N-O 2.85Å; R96-R122 HydrophobicContact CG-CB 4.43Å
97S62.7Low77.4Confident4 Ų437.6 Ų37.63%0.02817%0.174CC..SBendtrans-160.4161.7-167.966.90000111.5S71 Q72 S95 M99 S123S71-S97 WeakPolarHBondContact O-CA 3.35Å; S71-S97 WeakPolarHBondContact O-CB 3.42Å; Q72-S97 WeakPolarHBondContact O-CB 3.33Å; S95-S97 WeakPolarHBondContact CB-OG 3.28Å; S97-M99 VanDerWaalsContact C-N 3.35Å; S97-M99 PolarHBondContact O-N 2.97Å; S97-M99 PolarHBondContact OG-O 2.93Å; S97-S123 VanDerWaalsContact C-OG 3.23Å; S97-S123 PolarHBondContact N-OG 3.04Å; S97-S123 WeakPolarHBondContact O-CB 2.94Å; S97-S123 VanDerWaalsContact O-O 3.08Å; S97-S123 PolarHBondContact O-OG 2.91Å
98Q66.2Low77Confident108 Ų10838 Ų3851%0.50518%0.177SC..SBendtrans-63.9-35.3177.6-76.5-173.5-27.600113.4Q72 M125Q72-Q98 PolarHBondContact O-N 2.89Å; Q98-M125 PolarHBondContact O-N 2.82Å
99M74.1Confident76.3Confident50 Ų5040.1 Ų40.125%0.24618%0.182CC..EExtended strand (participates in β ladder)trans-135.7136-174.3-167.9178.6-69.900112.9Q72 M73 S74 S97 Q101 M125Q72-M99 PolarHBondContact O-N 3.28Å; M73-M99 HydrophobicContact CE-SD 4.11Å; S74-M99 PolarHBondContact N-O 2.94Å; S97-M99 VanDerWaalsContact C-N 3.35Å; S97-M99 PolarHBondContact O-N 2.97Å; S97-M99 PolarHBondContact OG-O 2.93Å; M99-Q101 HydrophobicContact CG-CG 4.43Å; M99-Q101 HydrophobicContact SD-CG 4.44Å; M99-M125 WeakPolarHBondContact CA-O 3.43Å; M99-M125 HydrophobicContact CE-CE 3.81Å
100S79.8Confident74.9Confident1 Ų141.8 Ų41.81%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-127.2125.6168.6176.10000110.6S74 M125 S126 Q127S74-S100 CarbonylContact O-C 3.54Å; S74-S100 WeakPolarHBondContact O-CA 3.46Å; S100-M125 PolarHBondContact N-O 2.99Å; S100-S126 WeakPolarHBondContact O-CA 2.85Å; S100-Q127 PolarHBondContact O-N 3.14Å
101Q82.8Confident73.6Confident59 Ų5948.4 Ų48.428%0.27622%0.218SC..EExtended strand (participates in β ladder)trans-118.5131.9173.3-69.9-179.6-26.900110.4S74 Q75 S76 M99 Q127S74-Q101 PolarHBondContact O-N 2.87Å; Q75-Q101 WeakPolarHBondContact CA-O 2.71Å; Q75-Q101 HydrophobicContact CG-CB 4.27Å; S76-Q101 PolarHBondContact N-O 2.86Å; M99-Q101 HydrophobicContact CG-CG 4.43Å; M99-Q101 HydrophobicContact SD-CG 4.44Å; Q101-Q127 CarbonylContact C-O 3.56Å; Q101-Q127 WeakPolarHBondContact CA-O 3.36Å; Q101-Q127 HydrophobicContact CG-CB 4.38Å
102S82.5Confident72.4Confident5 Ų553.5 Ų53.54%0.03524%0.244CC..EExtended strand (participates in β ladder)trans-133.8140.4173.3-49.10000112.6S76 Q93 Q119 Q127 S128 S129S76-S102 CarbonylContact O-C 3.58Å; S76-S102 VanDerWaalsContact O-CA 3.27Å; S76-S102 WeakPolarHBondContact O-CA 3.06Å; Q93-S102 VanDerWaalsContact CG-OG 3.32Å; Q93-S102 WeakPolarHBondContact CG-OG 3.42Å; S102-Q119 PolarHBondContact OG-NE2 3.37Å; S102-Q127 PolarHBondContact N-O 3.33Å; S102-S128 CarbonylContact O-C 3.6Å; S102-S128 WeakPolarHBondContact O-CA 3.11Å; S102-S129 PolarHBondContact O-N 2.96Å; S102-S129 PolarHBondContact O-OG 3.06Å
103S84.2Confident71.6Confident35 Ų3552.6 Ų52.625%0.24524%0.242CC..EExtended strand (participates in β ladder)trans-131123.4173-166.90000110.3S76 S77 L78 S129S76-S103 PolarHBondContact O-N 2.85Å; S77-S103 CarbonylContact C-O 3.59Å; S77-S103 WeakPolarHBondContact CA-O 3.45Å; L78-S103 PolarHBondContact N-O 2.88Å; S103-S129 WeakPolarHBondContact CA-O 3.42Å; S103-S129 WeakPolarHBondContact CA-OG 3.45Å; S103-S129 WeakPolarHBondContact CB-OG 3.47Å; S103-S129 PolarHBondContact OG-OG 3.22Å
104L84.1Confident71.5Confident0 Ų058 Ų580%027%0.268CS..EExtended strand (participates in β ladder)trans-107.6128.1161.8-45-172.7000109.6L78 L91 L117 S129 L130 Q131L78-L104 HydrophobicContact CB-CD2 3.6Å; L78-L104 HydrophobicContact CD1-CD2 4.39Å; L78-L104 HydrophobicContact CD2-CD2 4Å; L78-L104 HydrophobicContact CG-CD2 4.21Å; L78-L104 CarbonylContact O-C 3.58Å; L78-L104 WeakPolarHBondContact O-CA 3.36Å; L91-L104 HydrophobicContact CB-CD1 4.32Å; L91-L104 HydrophobicContact CB-CD2 3.59Å; L91-L104 HydrophobicContact CD1-CD2 3.4Å; L91-L104 VanDerWaalsContact CD1-CD2 3.4Å; L91-L104 HydrophobicContact CD2-CD2 4.46Å; L91-L104 HydrophobicContact CG-CD2 3.99Å; L104-L117 HydrophobicContact CD1-CD2 3.56Å; L104-L117 HydrophobicContact CD1-CG 3.73Å; L104-L117 HydrophobicContact CD2-CD2 3.7Å; L104-L117 HydrophobicContact CG-CD1 4.14Å; L104-L117 HydrophobicContact CG-CD2 3.45Å; L104-L117 VanDerWaalsContact CG-CD2 3.45Å; L104-L117 HydrophobicContact CG-CG 3.79Å; L104-S129 PolarHBondContact N-O 3.47Å; L104-L130 HydrophobicContact CB-CD2 3.58Å; L104-L130 HydrophobicContact CD1-CD2 3.48Å; L104-L130 VanDerWaalsContact CD1-CD2 3.48Å; L104-L130 HydrophobicContact CG-CD2 3.56Å; L104-Q131 PolarHBondContact O-N 2.93Å
105Q82.6Confident71.2Confident39 Ų3954.5 Ų54.518%0.18226%0.258CS..EExtended strand (participates in β ladder)trans-115.9112.8168-170.6176.267.500109.6L78 Q79 Q80 Q131L78-Q105 PolarHBondContact O-N 2.89Å; Q79-Q105 CarbonylContact C-O 3.6Å; Q79-Q105 WeakPolarHBondContact CA-O 3.32Å; Q79-Q105 HydrophobicContact CG-CB 4.26Å; Q80-Q105 PolarHBondContact N-O 2.77Å; Q105-Q131 CarbonylContact C-O 3.58Å; Q105-Q131 WeakPolarHBondContact CA-O 3.43Å; Q105-Q131 HydrophobicContact CG-CB 4.44Å
106Q74.8Confident71.7Confident2 Ų257.5 Ų57.51%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-102.2127.1170.8-61.3-67.2-33.600109.8S87 S89 S115 Q131 Q132 R133S87-Q106 PolarHBondContact OG-OE1 2.9Å; S89-Q106 PolarHBondContact OG-NE2 3.25Å; Q106-S115 WeakPolarHBondContact CG-OG 2.85Å; Q106-Q131 PolarHBondContact N-O 3.3Å; Q106-Q132 HydrophobicContact CB-CG 4.35Å; Q106-R133 PolarHBondContact O-N 3.35Å
107R71.8Confident72Confident93 Ų9354 Ų5435%0.35127%0.269SS..EExtended strand (participates in β ladder)trans-120.1109166.7-69.2-178.5178.4-111.22.8108.1Q80 R81 S82 R133Q80-R107 PolarHBondContact O-N 2.82Å; R81-R107 WeakPolarHBondContact CA-O 3.41Å; R81-R107 HydrophobicContact CG-CB 4.23Å; S82-R107 PolarHBondContact N-O 3.05Å; R107-R133 HydrophobicContact CG-CB 4.46Å
108S63.4Low72.9Confident11 Ų1158 Ų588%0.07729%0.287CS..EExtended strand (participates in β ladder)trans-118.9143.2-179.5-62.70000110.5S82 R133S82-S108 VanDerWaalsContact O-CA 3.32Å; S82-S108 WeakPolarHBondContact O-CA 3.2Å; S108-R133 PolarHBondContact N-O 2.93Å
109R61.7Low73.3Confident122 Ų12255 Ų5546%0.4627%0.273SS..  trans-113-2.1176.4-139.9177.9-177.1-171.14.7114.9S82 R83S82-R109 PolarHBondContact O-N 3.46Å; R83-R109 HydrophobicContact CG-CB 4.34Å
110P49.5Very low73.4Confident41 Ų4159.6 Ų59.627%0.26629%0.287SS..SBendtrans-120.5-178.3167.7-13.638.2000115.6P84 M112P84-P110 WeakPolarHBondContact O-CB 3.4Å; P84-P110 WeakPolarHBondContact O-CD 3.45Å; P84-P110 WeakPolarHBondContact O-CG 3.49Å; P110-M112 PolarHBondContact O-N 3.47Å
111Q54.4Low72.8Confident180 Ų18061.8 Ų61.884%0.84130%0.303SS*.SBendtrans-48.6-40-157.4-80.6-164.5-27.100119.4
112M57.7Low71.9Confident111 Ų11168.5 Ų68.555%0.54733%0.326SS..EExtended strand (participates in β ladder)trans-136.8141.7-171.1-68.1-144-72.100115.5Q85 M86 S87 P110Q85-M112 PolarHBondContact O-N 3.06Å; M86-M112 WeakPolarHBondContact CA-O 3.45Å; M86-M112 HydrophobicContact CG-CB 4.49Å; S87-M112 PolarHBondContact N-O 3.07Å; P110-M112 PolarHBondContact O-N 3.47Å
113S68.8Low70.5Confident24 Ų2470.6 Ų70.617%0.16834%0.34CS..EExtended strand (participates in β ladder)trans-133.1127.1176.3167.10000109.9Q132S113-Q132 PolarHBondContact OG-OE1 3.13Å
114Q74.3Confident69.4Low116 Ų11676.5 Ų76.554%0.54236%0.364SS..EExtended strand (participates in β ladder)trans-120.8125.7173.4-73.8-176.3-1500110.2S87 Q88 S89S87-Q114 PolarHBondContact O-N 3.28Å; Q88-Q114 WeakPolarHBondContact CA-O 3.5Å; Q88-Q114 HydrophobicContact CG-CB 4.23Å; S89-Q114 PolarHBondContact N-O 3.15Å
115S75.6Confident68.5Low27 Ų2781.2 Ų81.219%0.18939%0.387CS..EExtended strand (participates in β ladder)trans-130.1129.8178.7-63.80000110.3S89 Q106S89-S115 WeakPolarHBondContact O-CA 3.49Å; Q106-S115 WeakPolarHBondContact CG-OG 2.85Å
116S80.6Confident68.1Low66 Ų6681.9 Ų81.946%0.46240%0.396SS..EExtended strand (participates in β ladder)trans-120.9129.3173.754.70000110.2S89 S90 L91S89-S116 PolarHBondContact O-N 3.26Å; S89-S116 PolarHBondContact O-OG 2.99Å; S90-S116 WeakPolarHBondContact CA-OG 3.47Å; S90-S116 WeakPolarHBondContact CB-OG 3.48Å; L91-S116 PolarHBondContact N-O 2.83Å
117L80.8Confident68.3Low39 Ų3987.7 Ų87.720%0.20442%0.423CS..EExtended strand (participates in β ladder)trans-114.5118.8170.3-82.6-172.3000109.1L91 L104 L130L91-L117 HydrophobicContact CB-CD2 3.77Å; L91-L117 HydrophobicContact CD2-CD2 3.33Å; L91-L117 HydrophobicContact CG-CD2 4.04Å; L104-L117 HydrophobicContact CD1-CD2 3.56Å; L104-L117 HydrophobicContact CD1-CG 3.73Å; L104-L117 HydrophobicContact CD2-CD2 3.7Å; L104-L117 HydrophobicContact CG-CD1 4.14Å; L104-L117 HydrophobicContact CG-CD2 3.45Å; L104-L117 VanDerWaalsContact CG-CD2 3.45Å; L104-L117 HydrophobicContact CG-CG 3.79Å; L117-L130 HydrophobicContact CD1-CD1 4.3Å; L117-L130 HydrophobicContact CD1-CD2 3.47Å; L117-L130 VanDerWaalsContact CD1-CD2 3.47Å; L117-L130 HydrophobicContact CD1-CG 3.55Å; L117-L130 HydrophobicContact CG-CD1 4.32Å; L117-L130 HydrophobicContact CG-CD2 3.51Å; L117-L130 HydrophobicContact CG-CG 3.94Å
118Q80.8Confident68.7Low89 Ų8987 Ų8742%0.41643%0.432SS..EExtended strand (participates in β ladder)trans-117.9115.9169.8-169.7178.154.100109.5L91 Q92 Q93L91-Q118 PolarHBondContact O-N 2.72Å; Q92-Q118 CarbonylContact C-O 3.54Å; Q92-Q118 WeakPolarHBondContact CA-O 3.48Å; Q92-Q118 HydrophobicContact CG-CB 4.43Å; Q93-Q118 PolarHBondContact N-O 3.35Å
119Q74.7Confident69.6Low44 Ų4488.7 Ų88.721%0.20645%0.445CS..EExtended strand (participates in β ladder)trans-110.8130.2174.2-64.8-176.1-12.900109.6Q93 S102 Q127Q93-Q119 HydrophobicContact CB-CG 4.32Å; Q93-Q119 HydrophobicContact CG-CG 4.48Å; S102-Q119 PolarHBondContact OG-NE2 3.37Å; Q119-Q127 PolarHBondContact NE2-O 2.87Å
120R75.5Confident70.5Confident147 Ų14786.8 Ų86.856%0.55544%0.443SS*.EExtended strand (participates in β ladder)trans-127.2107.2169.7-75.6-175.6170.6-167.8-2.4108.4Q93 R94 S95Q93-R120 PolarHBondContact O-N 2.8Å; R94-R120 CarbonylContact C-O 3.56Å; R94-R120 WeakPolarHBondContact CA-O 3.39Å; R94-R120 HydrophobicContact CG-CB 4.34Å; S95-R120 PolarHBondContact N-O 3.03Å
121S67Low71.9Confident47 Ų4789.5 Ų89.533%0.32945%0.452SS..EExtended strand (participates in β ladder)trans-105.6142172.850.80000109.7S95 S126S95-S121 WeakPolarHBondContact O-CA 3.43Å; S95-S121 WeakPolarHBondContact OG-CA 3.39Å; S95-S121 WeakPolarHBondContact OG-CB 3.38Å; S121-S126 WeakPolarHBondContact CB-OG 3.42Å; S121-S126 PolarHBondContact OG-OG 3.03Å
122R65.2Low72.7Confident200 Ų20085.4 Ų85.476%0.75543%0.433SS*.SBendtrans-104.919.4169.4-77.8-167.9174.4-172-4.1112.6S95 R96S95-R122 PolarHBondContact O-N 3.05Å; R96-R122 HydrophobicContact CG-CB 4.43Å
123S53.9Low73.3Confident49 Ų4987.7 Ų87.734%0.34344%0.436SS..SBendtrans-163142172.210.90000112.9S97 M125S97-S123 VanDerWaalsContact C-OG 3.23Å; S97-S123 PolarHBondContact N-OG 3.04Å; S97-S123 WeakPolarHBondContact O-CB 2.94Å; S97-S123 VanDerWaalsContact O-O 3.08Å; S97-S123 PolarHBondContact O-OG 2.91Å; S123-M125 PolarHBondContact O-N 2.66Å
124Q60.2Low73.1Confident159 Ų15990 Ų9074%0.74345%0.452SS*.SBendtrans32.1-58.8174.1-62.5-159.4-22.800124
125M66Low72.5Confident100 Ų10094.3 Ų94.349%0.49346%0.463SS..EExtended strand (participates in β ladder)trans-140.9138.6-166.6-73.1-172.2-78.600115.4Q98 M99 S100 S123Q98-M125 PolarHBondContact O-N 2.82Å; M99-M125 WeakPolarHBondContact CA-O 3.43Å; M99-M125 HydrophobicContact CE-CE 3.81Å; S100-M125 PolarHBondContact N-O 2.99Å; S123-M125 PolarHBondContact O-N 2.66Å
126S73.7Confident71.4Confident52 Ų5298.4 Ų98.436%0.36449%0.489SS..EExtended strand (participates in β ladder)trans-140.6123.7178.9-66.30000110.6S100 S121S100-S126 WeakPolarHBondContact O-CA 2.85Å; S121-S126 WeakPolarHBondContact CB-OG 3.42Å; S121-S126 PolarHBondContact OG-OG 3.03Å
127Q79.2Confident70Confident124 Ų124102.6 Ų102.658%0.57950%0.502SS*.EExtended strand (participates in β ladder)trans-121.5128.2175.6-72.8-175.2-20.200110.2S100 Q101 S102 Q119S100-Q127 PolarHBondContact O-N 3.14Å; Q101-Q127 CarbonylContact C-O 3.56Å; Q101-Q127 WeakPolarHBondContact CA-O 3.36Å; Q101-Q127 HydrophobicContact CG-CB 4.38Å; S102-Q127 PolarHBondContact N-O 3.33Å; Q119-Q127 PolarHBondContact NE2-O 2.87Å
128S79.2Confident68.1Low78 Ų78108.7 Ų108.755%0.54553%0.531SS..EExtended strand (participates in β ladder)trans-125.5128.9178.3560000110.3S102S102-S128 CarbonylContact O-C 3.6Å; S102-S128 WeakPolarHBondContact O-CA 3.11Å
129S82.6Confident66.3Low48 Ų48109.8 Ų109.834%0.33655%0.548SS..EExtended strand (participates in β ladder)trans-120.2129.2170.857.80000110.6S102 S103 L104S102-S129 PolarHBondContact O-N 2.96Å; S102-S129 PolarHBondContact O-OG 3.06Å; S103-S129 WeakPolarHBondContact CA-O 3.42Å; S103-S129 WeakPolarHBondContact CA-OG 3.45Å; S103-S129 WeakPolarHBondContact CB-OG 3.47Å; S103-S129 PolarHBondContact OG-OG 3.22Å; L104-S129 PolarHBondContact N-O 3.47Å
130L79.9Confident64.2Low82 Ų82116.2 Ų116.243%0.42958%0.578SS.*EExtended strand (participates in β ladder)trans-116.4115.9172-75.2179.1000108.3L104 L117L104-L130 HydrophobicContact CB-CD2 3.58Å; L104-L130 HydrophobicContact CD1-CD2 3.48Å; L104-L130 VanDerWaalsContact CD1-CD2 3.48Å; L104-L130 HydrophobicContact CG-CD2 3.56Å; L117-L130 HydrophobicContact CD1-CD1 4.3Å; L117-L130 HydrophobicContact CD1-CD2 3.47Å; L117-L130 VanDerWaalsContact CD1-CD2 3.47Å; L117-L130 HydrophobicContact CD1-CG 3.55Å; L117-L130 HydrophobicContact CG-CD1 4.32Å; L117-L130 HydrophobicContact CG-CD2 3.51Å; L117-L130 HydrophobicContact CG-CG 3.94Å
131Q79.5Confident62.1Low98 Ų98118.1 Ų118.146%0.45861%0.614SS.*EExtended strand (participates in β ladder)trans-115.4116.2171.5-69.1-175.614.700109.5L104 Q105 Q106L104-Q131 PolarHBondContact O-N 2.93Å; Q105-Q131 CarbonylContact C-O 3.58Å; Q105-Q131 WeakPolarHBondContact CA-O 3.43Å; Q105-Q131 HydrophobicContact CG-CB 4.44Å; Q106-Q131 PolarHBondContact N-O 3.3Å
132Q72.1Confident61.8Low94 Ų94121.7 Ų121.744%0.43963%0.629SS.*EExtended strand (participates in β ladder)trans-111.1129.4172.4-56.3-166.835.600109Q106 S113Q106-Q132 HydrophobicContact CB-CG 4.35Å; S113-Q132 PolarHBondContact OG-OE1 3.13Å
133R69.7Low61.6Low159 Ų159117.6 Ų117.660%0.662%0.622SS**EExtended strand (participates in β ladder)trans-123.4115.5170.2-73.2-176.7178.5-106.74.4109.1Q106 R107 S108Q106-R133 PolarHBondContact O-N 3.35Å; R107-R133 HydrophobicContact CG-CB 4.46Å; S108-R133 PolarHBondContact N-O 2.93Å
134S64.7Low62.1Low72 Ų72121.4 Ų121.450%0.50364%0.638SS.*EExtended strand (participates in β ladder)trans-114.9130.4172.2-58.90000108.7
135R60.9Low62.2Low206 Ų206119.2 Ų119.278%0.77763%0.631SS**  trans-116.2107.3167.3-87.5-169.6174.2-143.11.9107.6
136P53.6Low61.9Low114 Ų114120.4 Ų120.474%0.7464%0.64SS**  trans-61.4137.7170.525.3-30.7000109.1M138P136-M138 PolarHBondContact O-N 2.97Å
137Q51.6Low61.1Low154 Ų154124.9 Ų124.972%0.7266%0.659SS**  trans-80.995.3164.2-67.4-136.5-83.900107S139Q137-S139 PolarHBondContact O-N 2.69Å
138M40.9Very low59.9Low167 Ų167125 Ų12582%0.82366%0.664SS**  trans-73.1101.9152.7-68.9-128.1-6500105.5P136P136-M138 PolarHBondContact O-N 2.97Å
139S41.3Very low58.4Low111 Ų111128.6 Ų128.678%0.77667%0.673SS**  trans-83.4112.9160.9-153.90000105.6Q137 S141Q137-S139 PolarHBondContact O-N 2.69Å; S139-S141 PolarHBondContact O-N 3.14Å
140Q31.6Very low56.3Low179 Ų179135.3 Ų135.384%0.83670%0.701SS**  trans-73.5102.1166.6-75.5-171-2600108.1
141S30.5Very low54.2Low188 Ų188140.2 Ų140.2100%1.31573%0.726SS**  trans165.60150.3-79.10000108.2S139S139-S141 PolarHBondContact O-N 3.14Å

Retrieved 141 of 141 residues in 68.5 ms (Link to these results)