A0A5K4F9I0_SCHMA Loading...

UPF0506 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F9I0, 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
1M63.5Low82.7Confident205 Ų205111.4 Ų111.4100%1.0160%0.601SS**  0-37.90-60.3179.3-169.400112.2G3 L4M1-G3 PolarHBondContact O-N 3.25Å; M1-L4 PolarHBondContact O-N 3.47Å
2T77.3Confident82.5Confident115 Ų115109.5 Ų109.571%0.70659%0.59SS**Hα-helixtrans-57-39.6178.844.20000115.4L4 I5 L6T2-L4 PolarHBondContact O-N 3.38Å; T2-I5 PolarHBondContact O-N 3.3Å; T2-L6 PolarHBondContact O-N 3.44Å
3G82.4Confident82Confident39 Ų39108.8 Ų108.840%0.40258%0.584SS.*Hα-helixtrans-63.3-38.6-178.700000114.6M1 I5 L6 I7M1-G3 PolarHBondContact O-N 3.25Å; G3-I5 VanDerWaalsContact C-N 3.32Å; G3-I5 PolarHBondContact O-N 3.46Å; G3-L6 PolarHBondContact O-N 3.03Å; G3-I7 WeakPolarHBondContact O-CG1 3.49Å; G3-I7 PolarHBondContact O-N 3.43Å
4L83.5Confident81.3Confident135 Ų135109.3 Ų109.371%0.70759%0.586SS**Hα-helixtrans-66.9-36178.2-70.6171.4000111.8M1 T2 I7 F8M1-L4 PolarHBondContact O-N 3.47Å; T2-L4 PolarHBondContact O-N 3.38Å; L4-I7 PolarHBondContact O-N 3Å; L4-F8 WeakPolarHBondContact O-CB 3.37Å; L4-F8 PolarHBondContact O-N 3.39Å
5I85.3Confident80.4Confident109 Ų109106.1 Ų106.156%0.55958%0.576SS**Hα-helixtrans-63.8-44.6177.4-59.3169.6000109.8T2 G3 I7 F8 S9T2-I5 PolarHBondContact O-N 3.3Å; G3-I5 VanDerWaalsContact C-N 3.32Å; G3-I5 PolarHBondContact O-N 3.46Å; I5-I7 PolarHBondContact O-N 3.14Å; I5-F8 PolarHBondContact O-N 3.17Å; I5-S9 PolarHBondContact O-N 3.36Å; I5-S9 PolarHBondContact O-OG 3.44Å; I5-S9 VanDerWaalsContact O-OG 3.14Å
6L86.3Confident79.1Confident119 Ų119104.6 Ų104.662%0.62358%0.576SS**Hα-helixtrans-61.3-42.2177.5-68.7173.8000112.5T2 G3 S9 L10T2-L6 PolarHBondContact O-N 3.44Å; G3-L6 PolarHBondContact O-N 3.03Å; L6-S9 PolarHBondContact O-N 2.94Å; L6-L10 PolarHBondContact O-N 3.26Å
7I88.2Confident77.7Confident101 Ų101104.2 Ų104.252%0.51857%0.572SS.*Hα-helixtrans-63.1-44.9176.9-65.1164.5000110.4G3 L4 I5 S9 L10 L11G3-I7 WeakPolarHBondContact O-CG1 3.49Å; G3-I7 PolarHBondContact O-N 3.43Å; L4-I7 PolarHBondContact O-N 3Å; I5-I7 PolarHBondContact O-N 3.14Å; I7-S9 PolarHBondContact O-N 3.03Å; I7-L10 WeakPolarHBondContact O-CB 3.26Å; I7-L10 PolarHBondContact O-N 3.45Å; I7-L11 HydrophobicContact CG2-CD1 4.17Å; I7-L11 WeakPolarHBondContact O-CG 3.5Å; I7-L11 PolarHBondContact O-N 3.07Å
8F86.9Confident76.6Confident128 Ų128105.6 Ų105.656%0.56158%0.577SS**Hα-helixtrans-63.3-42.2179.1-164.7-104.3000112L4 I5 L10 L11 L12L4-F8 WeakPolarHBondContact O-CB 3.37Å; L4-F8 PolarHBondContact O-N 3.39Å; I5-F8 PolarHBondContact O-N 3.17Å; F8-L10 PolarHBondContact O-N 3.24Å; F8-L11 PolarHBondContact O-N 3.01Å; F8-L12 HydrophobicContact CD1-CD1 3.79Å; F8-L12 HydrophobicContact CD1-CG 4.25Å; F8-L12 HydrophobicContact CE1-CD1 3.65Å; F8-L12 HydrophobicContact CE1-CD2 4.36Å; F8-L12 HydrophobicContact CE1-CG 4.09Å; F8-L12 WeakPolarHBondContact O-CG 3.43Å; F8-L12 PolarHBondContact O-N 3.28Å
9S87.5Confident75.5Confident54 Ų54109.4 Ų109.438%0.37859%0.591SS.*Hα-helixtrans-59.9-42.4173.4-61.60000112.4I5 L6 I7 L11 L12 I13I5-S9 PolarHBondContact O-N 3.36Å; I5-S9 PolarHBondContact O-OG 3.44Å; I5-S9 VanDerWaalsContact O-OG 3.14Å; L6-S9 PolarHBondContact O-N 2.94Å; I7-S9 PolarHBondContact O-N 3.03Å; S9-L11 PolarHBondContact O-N 3.39Å; S9-L12 PolarHBondContact O-N 3.49Å; S9-I13 WeakPolarHBondContact O-CD1 3.5Å; S9-I13 VanDerWaalsContact O-CG1 3.26Å; S9-I13 WeakPolarHBondContact O-CG1 3.5Å; S9-I13 PolarHBondContact O-N 3.45Å; S9-I13 VanDerWaalsContact O-N 3.07Å
10L85.5Confident74.7Confident120 Ų120107.3 Ų107.363%0.62860%0.596SS**Hα-helixtrans-61.1-44.1176.1-117.783.2000112.1L6 I7 F8 I13 L14L6-L10 PolarHBondContact O-N 3.26Å; I7-L10 WeakPolarHBondContact O-CB 3.26Å; I7-L10 PolarHBondContact O-N 3.45Å; F8-L10 PolarHBondContact O-N 3.24Å; L10-I13 PolarHBondContact O-N 3.11Å; L10-L14 PolarHBondContact O-N 3.35Å
11L83.1Confident74.6Confident100 Ų100109.5 Ų109.552%0.52460%0.599SS.*Hα-helixtrans-63.1-41.4178.8-72.7169.8000112I7 F8 S9 L14 S15I7-L11 HydrophobicContact CG2-CD1 4.17Å; I7-L11 WeakPolarHBondContact O-CG 3.5Å; I7-L11 PolarHBondContact O-N 3.07Å; F8-L11 PolarHBondContact O-N 3.01Å; S9-L11 PolarHBondContact O-N 3.39Å; L11-L14 PolarHBondContact O-N 3.41Å; L11-S15 WeakPolarHBondContact O-CB 3.4Å; L11-S15 PolarHBondContact O-N 3.44Å; L11-S15 PolarHBondContact O-OG 3.49Å
12L80Confident75.4Confident89 Ų89102.5 Ų102.547%0.46657%0.57SS.*Hα-helixtrans-62.5-45.9175.5-71175.1000111.7F8 S9 L14 S15 S16F8-L12 HydrophobicContact CD1-CD1 3.79Å; F8-L12 HydrophobicContact CD1-CG 4.25Å; F8-L12 HydrophobicContact CE1-CD1 3.65Å; F8-L12 HydrophobicContact CE1-CD2 4.36Å; F8-L12 HydrophobicContact CE1-CG 4.09Å; F8-L12 WeakPolarHBondContact O-CG 3.43Å; F8-L12 PolarHBondContact O-N 3.28Å; S9-L12 PolarHBondContact O-N 3.49Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.41Å; L12-S15 WeakPolarHBondContact O-CB 3.43Å; L12-S15 PolarHBondContact O-N 3.12Å; L12-S15 VanDerWaalsContact O-N 3.11Å; L12-S16 PolarHBondContact O-N 3.02Å; L12-S16 PolarHBondContact O-OG 2.82Å; L12-S16 VanDerWaalsContact O-OG 3.12Å
13I76.9Confident75.7Confident100 Ų10098.2 Ų98.251%0.51354%0.543SS..Hα-helixtrans-60.5-43177.8-64.7161000110.8S9 L10 S15 S16 N17S9-I13 WeakPolarHBondContact O-CD1 3.5Å; S9-I13 VanDerWaalsContact O-CG1 3.26Å; S9-I13 WeakPolarHBondContact O-CG1 3.5Å; S9-I13 PolarHBondContact O-N 3.45Å; S9-I13 VanDerWaalsContact O-N 3.07Å; L10-I13 PolarHBondContact O-N 3.11Å; I13-S15 VanDerWaalsContact C-N 3.29Å; I13-S15 PolarHBondContact O-N 2.86Å; I13-S16 PolarHBondContact O-N 2.97Å; I13-N17 PolarHBondContact O-N 3.38Å; I13-N17 VanDerWaalsContact O-N 3.14Å; I13-N17 PolarHBondContact O-ND2 3Å
14L72.4Confident76Confident116 Ų116102.8 Ų102.861%0.60755%0.554SS**Hα-helixtrans-61.5-40.7176.2-124.478.3000111.5L10 L11 L12 N17 I18L10-L14 PolarHBondContact O-N 3.35Å; L11-L14 PolarHBondContact O-N 3.41Å; L12-L14 VanDerWaalsContact C-N 3.32Å; L12-L14 PolarHBondContact O-N 3.41Å; L14-N17 PolarHBondContact O-N 3.14Å; L14-I18 WeakPolarHBondContact O-CG1 3.43Å
15S66.6Low76.2Confident62 Ų6299.8 Ų99.843%0.43454%0.536SS..Hα-helixtrans-68.9-42.2-179.8-55.60000111.6L11 L12 I13 N17 I18L11-S15 WeakPolarHBondContact O-CB 3.4Å; L11-S15 PolarHBondContact O-N 3.44Å; L11-S15 PolarHBondContact O-OG 3.49Å; L12-S15 WeakPolarHBondContact O-CB 3.43Å; L12-S15 PolarHBondContact O-N 3.12Å; L12-S15 VanDerWaalsContact O-N 3.11Å; I13-S15 VanDerWaalsContact C-N 3.29Å; I13-S15 PolarHBondContact O-N 2.86Å; S15-N17 PolarHBondContact O-N 3.41Å; S15-I18 WeakPolarHBondContact O-CB 3.38Å; S15-I18 PolarHBondContact O-N 2.76Å
16S59.6Low76.3Confident82 Ų8296.6 Ų96.657%0.57353%0.53SS*.Hα-helixtrans-64.2-29.1175.9-58.70000113L12 I13 I18L12-S16 PolarHBondContact O-N 3.02Å; L12-S16 PolarHBondContact O-OG 2.82Å; L12-S16 VanDerWaalsContact O-OG 3.12Å; I13-S16 PolarHBondContact O-N 2.97Å; S16-I18 PolarHBondContact O-N 3.31Å
17N56.5Low76.4Confident98 Ų9895.2 Ų95.252%0.52452%0.52SS..THydrogen-bonded Turntrans-73-14.3174-84.3-80.5000113.5I13 L14 S15I13-N17 PolarHBondContact O-N 3.38Å; I13-N17 VanDerWaalsContact O-N 3.14Å; I13-N17 PolarHBondContact O-ND2 3Å; L14-N17 PolarHBondContact O-N 3.14Å; S15-N17 PolarHBondContact O-N 3.41Å
18I57.9Low76.2Confident129 Ų12994 Ų9466%0.66253%0.525SS*.THydrogen-bonded Turntrans-84.5-30.5178.3-70.7165.2000111.2L14 S15 S16 G20L14-I18 WeakPolarHBondContact O-CG1 3.43Å; S15-I18 WeakPolarHBondContact O-CB 3.38Å; S15-I18 PolarHBondContact O-N 2.76Å; S16-I18 PolarHBondContact O-N 3.31Å; I18-G20 VanDerWaalsContact C-N 3.32Å; I18-G20 PolarHBondContact O-N 3.4Å
19E56Low76.2Confident177 Ų17788 Ų8883%0.82750%0.5SS*.THydrogen-bonded Turntrans-77.6-11.4-175.1-76.3-174.882.700114.9
20G59.5Low75.7Confident68 Ų6885.9 Ų85.970%0.70148%0.484SS*.THydrogen-bonded Turntrans-111.6-8.5-175.800000116.1I18 C22I18-G20 VanDerWaalsContact C-N 3.32Å; I18-G20 PolarHBondContact O-N 3.4Å; G20-C22 PolarHBondContact O-N 3.36Å
21K70.8Confident74.9Confident153 Ų15388.6 Ų88.667%0.66549%0.491SS*.  trans-87.6110.4-177.5-76.3-172.2173.4-177.70110.3
22C81.2Confident74.3Confident58 Ų5888.7 Ų88.739%0.39250%0.496SS..PPolyproline II helixtrans-78.6155162.863.10000109.6G20 R36 C38G20-C22 PolarHBondContact O-N 3.36Å; C22-R36 CarbonylContact C-O 3.47Å; C22-R36 WeakPolarHBondContact CA-O 3.35Å; C22-C38 HydrophobicContact CB-CB 3.85Å; C22-C38 WeakPolarHBondContact CB-SG 3.37Å; C22-C38 PolarHBondContact O-SG 2.88Å; C22-C38 WeakPolarHBondContact SG-CA 3.01Å; C22-C38 WeakPolarHBondContact SG-CB 3.36Å; C22-C38 CovalentContact SG-SG 2.03Å; C22-C38 PolarHBondContact SG-SG 3.33Å
23N84.2Confident73.6Confident25 Ų2591 Ų9113%0.13451%0.508CS..BIsolated β-bridgetrans-95.9137.1-178.8-66.5-12.3000110.5E27 A28 T35 R36 C37 C38 C53N23-E27 WeakPolarHBondContact CA-OE2 3.02Å; N23-E27 HydrophobicContact CB-CB 3.89Å; N23-A28 PolarHBondContact ND2-O 2.86Å; N23-T35 WeakPolarHBondContact ND2-CB 3.2Å; N23-R36 PolarHBondContact N-O 2.7Å; N23-C37 CarbonylContact O-C 3.55Å; N23-C37 WeakPolarHBondContact O-CA 3.38Å; N23-C38 PolarHBondContact O-N 2.03Å; N23-C53 VanDerWaalsContact CB-SG 3.56Å
24E87.2Confident72.9Confident136 Ų13689.4 Ų89.464%0.63652%0.516SS*.PPolyproline II helixtrans-77.6172.8-179.6-62.5-163.295.600112.4G26 E27 C53E24-G26 PolarHBondContact O-N 3.26Å; E24-E27 HydrophobicContact CB-CG 4.33Å; E24-E27 PolarHBondContact N-OE2 3.18Å; E24-E27 WeakPolarHBondContact O-CB 3.37Å; E24-E27 PolarHBondContact O-N 2.8Å; E24-E27 VanDerWaalsContact O-N 3.09Å; E24-C53 WeakPolarHBondContact O-CB 3.43Å
25E88.4Confident72.8Confident72 Ų7286.3 Ų86.334%0.33650%0.502SS..THydrogen-bonded Turntrans-61.9127.9179.9-161-160.994.300111.2E27 L41 N55 R58E25-E27 VanDerWaalsContact C-N 3.35Å; E25-L41 HydrophobicContact CB-CD1 4.08Å; E25-L41 HydrophobicContact CB-CD2 3.95Å; E25-L41 HydrophobicContact CG-CD2 3.91Å; E25-N55 HydrophobicContact CG-CB 4.25Å; E25-N55 WeakPolarHBondContact OE2-CB 3.3Å; E25-R58 VanDerWaalsContact CD-NE 3.28Å; E25-R58 IonicContact OE1-CZ 2.86Å; E25-R58 IonicContact OE1-NE 2.93Å; E25-R58 PolarHBondContact OE1-NE 3.2Å; E25-R58 IonicContact OE1-NH2 3.68Å; E25-R58 PolarHBondContact OE1-NH2 2.93Å; E25-R58 IonicContact OE2-CZ 2.98Å; E25-R58 IonicContact OE2-NE 3.57Å; E25-R58 PolarHBondContact OE2-NE 2.87Å; E25-R58 IonicContact OE2-NH2 2.63Å
26G87.1Confident73.3Confident41 Ų4193 Ų9342%0.42352%0.518SS..THydrogen-bonded Turntrans92.1-16.8-176.200000114.5E24 R52 C53E24-G26 PolarHBondContact O-N 3.26Å; G26-R52 WeakPolarHBondContact O-CD 3.34Å; G26-C53 PolarHBondContact N-O 2.77Å
27E88.1Confident74.5Confident90 Ų9090 Ų9042%0.42150%0.497SS..SBendtrans-71.2154.8177.1-70.4-156.698.800112.6N23 E24 E25 R52 C53N23-E27 WeakPolarHBondContact CA-OE2 3.02Å; N23-E27 HydrophobicContact CB-CB 3.89Å; E24-E27 HydrophobicContact CB-CG 4.33Å; E24-E27 PolarHBondContact N-OE2 3.18Å; E24-E27 WeakPolarHBondContact O-CB 3.37Å; E24-E27 PolarHBondContact O-N 2.8Å; E24-E27 VanDerWaalsContact O-N 3.09Å; E25-E27 VanDerWaalsContact C-N 3.35Å; E27-R52 CarbonylContact O-C 3.55Å; E27-R52 WeakPolarHBondContact O-CA 3.15Å; E27-C53 PolarHBondContact O-N 2.92Å
28A85.8Confident75.9Confident76 Ų7686.9 Ų86.963%0.62848%0.482SS*.EExtended strand (participates in β ladder)trans-69134.8-179.200000110.7N23 G51N23-A28 PolarHBondContact ND2-O 2.86Å; A28-G51 WeakPolarHBondContact CA-O 3.35Å
29C86.2Confident77.1Confident3 Ų384.8 Ų84.82%0.0249%0.492CS..EExtended strand (participates in β ladder)trans-131.1156.8174.162.90000109.9C43 G51 R52C29-C43 HydrophobicContact CB-CB 3.78Å; C29-C43 WeakPolarHBondContact CB-SG 3Å; C29-C43 WeakPolarHBondContact SG-CA 2.95Å; C29-C43 WeakPolarHBondContact SG-CB 3.45Å; C29-C43 CovalentContact SG-SG 2.01Å; C29-C43 PolarHBondContact SG-SG 2.81Å; C29-G51 PolarHBondContact N-O 3.04Å; C29-G51 CarbonylContact O-C 3.56Å; C29-G51 WeakPolarHBondContact O-CA 3.43Å; C29-G51 PolarHBondContact O-N 2.81Å; C29-R52 VanDerWaalsContact SG-CA 3.56Å; C29-R52 PolarHBondContact SG-N 2.9Å
30S77.3Confident78.6Confident8 Ų881.3 Ų81.36%0.05648%0.476CS..  trans-143.6129.5178-173.20000109.9T32 L33 T35 L49S30-T32 PolarHBondContact O-N 3.29Å; S30-L33 PolarHBondContact O-N 3.09Å; S30-T35 PolarHBondContact N-OG1 3.25Å; S30-T35 PolarHBondContact O-OG1 3.45Å; S30-L49 VanDerWaalsContact CB-O 3.3Å; S30-L49 WeakPolarHBondContact CB-O 3.49Å; S30-L49 PolarHBondContact OG-O 2.94Å
31K68.7Low79.9Confident177 Ų17779.5 Ų79.577%0.7745%0.45SS*.THydrogen-bonded Turntrans-65.8-18.9-179.7-162169.5-179.5178.50112.5L45K31-L45 HydrophobicContact CB-CD1 4.27Å; K31-L45 HydrophobicContact CB-CD2 4.44Å; K31-L45 HydrophobicContact CD-CD1 4.09Å
32T69.7Low80.7Confident103 Ų10376 Ų7663%0.63243%0.433SS*.THydrogen-bonded Turntrans-97.5-28.4-177.4-48.10000113S30 L49S30-T32 PolarHBondContact O-N 3.29Å; T32-L49 HydrophobicContact CG2-CD2 4.28Å; T32-L49 WeakPolarHBondContact OG1-CD2 3.03Å
33L65.3Low80.9Confident138 Ų13875.2 Ų75.272%0.72343%0.428SS*.THydrogen-bonded Turntrans-9821.9-172.9-69.9157.9000113.7S30 T35S30-L33 PolarHBondContact O-N 3.09Å; L33-T35 PolarHBondContact O-N 2.85Å
34G62.8Low81.2Confident66 Ų6679.2 Ų79.268%0.6844%0.444SS*.THydrogen-bonded Turntrans63.37.8174.200000115.7R36G34-R36 PolarHBondContact O-N 3.41Å
35T70.2Confident81.1Confident51 Ų5176.3 Ų76.331%0.31343%0.432SS..  trans-76.2107.2-179.939.40000109.6N23 S30 L33N23-T35 WeakPolarHBondContact ND2-CB 3.2Å; S30-T35 PolarHBondContact N-OG1 3.25Å; S30-T35 PolarHBondContact O-OG1 3.45Å; L33-T35 PolarHBondContact O-N 2.85Å
36R76Confident81.1Confident203 Ų20378.3 Ų78.377%0.76644%0.44SS*.PPolyproline II helixtrans-89.8144.3177.5-64.9-175.1179.1175.81.4109.6C22 N23 G34C22-R36 CarbonylContact C-O 3.47Å; C22-R36 WeakPolarHBondContact CA-O 3.35Å; N23-R36 PolarHBondContact N-O 2.7Å; G34-R36 PolarHBondContact O-N 3.41Å
37C85.5Confident80.9Confident19 Ų1982.5 Ų82.513%0.12845%0.447CS..BIsolated β-bridgetrans-81150.3169.5-57.20000110N23 L41 C53N23-C37 CarbonylContact O-C 3.55Å; N23-C37 WeakPolarHBondContact O-CA 3.38Å; C37-L41 HydrophobicContact CB-CB 3.47Å; C37-L41 VanDerWaalsContact CB-CB 3.47Å; C37-L41 WeakPolarHBondContact CB-O 3.23Å; C37-C53 WeakPolarHBondContact CA-SG 3.39Å; C37-C53 HydrophobicContact CB-CB 3.63Å; C37-C53 WeakPolarHBondContact CB-SG 2.99Å; C37-C53 WeakPolarHBondContact SG-CA 3.14Å; C37-C53 WeakPolarHBondContact SG-CB 3.44Å; C37-C53 CovalentContact SG-SG 2.03Å; C37-C53 PolarHBondContact SG-SG 2.82Å
38C85.3Confident80.4Confident32 Ų3283.9 Ų83.922%0.21646%0.464CS..SBendtrans-71.3138.4179.4-63.20000112C22 N23 E40 L41C22-C38 HydrophobicContact CB-CB 3.85Å; C22-C38 WeakPolarHBondContact CB-SG 3.37Å; C22-C38 PolarHBondContact O-SG 2.88Å; C22-C38 WeakPolarHBondContact SG-CA 3.01Å; C22-C38 WeakPolarHBondContact SG-CB 3.36Å; C22-C38 CovalentContact SG-SG 2.03Å; C22-C38 PolarHBondContact SG-SG 3.33Å; N23-C38 PolarHBondContact O-N 2.03Å; C38-E40 PolarHBondContact O-N 2.03Å; C38-L41 HydrophobicContact CB-CD1 4.4Å; C38-L41 VanDerWaalsContact O-CB 3.23Å; C38-L41 WeakPolarHBondContact O-CB 3.12Å; C38-L41 WeakPolarHBondContact O-CD1 3.45Å; C38-L41 WeakPolarHBondContact O-CG 3.46Å; C38-L41 PolarHBondContact O-N 3.41Å
39G84.8Confident80Confident84 Ų8485.2 Ų85.287%0.86646%0.459SS*.THydrogen-bonded Turntrans60.6-128.6170.500000114.4L41G39-L41 VanDerWaalsContact C-N 3.27Å; G39-L41 PolarHBondContact O-N 2.63Å
40E85.8Confident79.9Confident104 Ų10491.1 Ų91.149%0.48649%0.485SS..THydrogen-bonded Turntrans-83.64.8-178.765.8175.792.900114.3C38 P56 K57C38-E40 PolarHBondContact O-N 2.03Å; E40-P56 WeakPolarHBondContact O-CD 3.38Å; E40-K57 VanDerWaalsContact CD-NZ 3.28Å; E40-K57 IonicContact OE1-NZ 2.87Å; E40-K57 PolarHBondContact OE1-NZ 3.17Å; E40-K57 VanDerWaalsContact OE2-CD 3.23Å; E40-K57 WeakPolarHBondContact OE2-CD 3.47Å; E40-K57 WeakPolarHBondContact OE2-CE 3.47Å; E40-K57 IonicContact OE2-NZ 2.85Å; E40-K57 PolarHBondContact OE2-NZ 3.11Å
41L87.2Confident80.4Confident30 Ų3090.8 Ų90.816%0.15748%0.483CS..  trans-71140.4178.5-61.1176.4000110.7E25 C37 C38 G39 C53 N55E25-L41 HydrophobicContact CB-CD1 4.08Å; E25-L41 HydrophobicContact CB-CD2 3.95Å; E25-L41 HydrophobicContact CG-CD2 3.91Å; C37-L41 HydrophobicContact CB-CB 3.47Å; C37-L41 VanDerWaalsContact CB-CB 3.47Å; C37-L41 WeakPolarHBondContact CB-O 3.23Å; C38-L41 HydrophobicContact CB-CD1 4.4Å; C38-L41 VanDerWaalsContact O-CB 3.23Å; C38-L41 WeakPolarHBondContact O-CB 3.12Å; C38-L41 WeakPolarHBondContact O-CD1 3.45Å; C38-L41 WeakPolarHBondContact O-CG 3.46Å; C38-L41 PolarHBondContact O-N 3.41Å; G39-L41 VanDerWaalsContact C-N 3.27Å; G39-L41 PolarHBondContact O-N 2.63Å; L41-C53 HydrophobicContact CB-CB 4.4Å; L41-C53 HydrophobicContact CD1-CB 4.27Å; L41-N55 HydrophobicContact CD2-CB 3.59Å
42Y87.1Confident81.4Confident80 Ų8089.4 Ų89.431%0.31447%0.473SS..EExtended strand (participates in β ladder)trans-113.6149.4172.170.3-83.9000111.2K44 C53 T54 P56Y42-K44 HydrophobicContact CD2-CB 4.37Å; Y42-K44 HydrophobicContact CE2-CB 3.83Å; Y42-K44 HydrophobicContact CE2-CG 4.29Å; Y42-K44 PolarHBondContact O-N 2.85Å; Y42-C53 WeakPolarHBondContact O-CA 3.43Å; Y42-T54 WeakPolarHBondContact CD1-O 2.94Å; Y42-T54 HydrophobicContact CE1-CG2 4.2Å; Y42-T54 WeakPolarHBondContact CE1-O 3.28Å; Y42-T54 PolarHBondContact N-O 2.01Å; Y42-T54 PolarHBondContact O-N 3.23Å; Y42-P56 HydrophobicContact CD1-CB 4.15Å; Y42-P56 HydrophobicContact CD1-CG 4.31Å; Y42-P56 HydrophobicContact CE1-CB 3.85Å; Y42-P56 HydrophobicContact CE1-CG 4.43Å
43C87.3Confident82.5Confident41 Ų4184.5 Ų84.528%0.27744%0.443SS..EExtended strand (participates in β ladder)trans-78.8103.1176.6-176.80000110.9C29 L45C29-C43 HydrophobicContact CB-CB 3.78Å; C29-C43 WeakPolarHBondContact CB-SG 3Å; C29-C43 WeakPolarHBondContact SG-CA 2.95Å; C29-C43 WeakPolarHBondContact SG-CB 3.45Å; C29-C43 CovalentContact SG-SG 2.01Å; C29-C43 PolarHBondContact SG-SG 2.81Å; C43-L45 PolarHBondContact O-N 2.93Å
44K88.8Confident83.6Confident109 Ų10979.8 Ų79.847%0.47442%0.42SS..EExtended strand (participates in β ladder)trans-83.1101174.6-171.2179.4-179.7-174.90109.9Y42 G51 R52 T54Y42-K44 HydrophobicContact CD2-CB 4.37Å; Y42-K44 HydrophobicContact CE2-CB 3.83Å; Y42-K44 HydrophobicContact CE2-CG 4.29Å; Y42-K44 PolarHBondContact O-N 2.85Å; K44-G51 CarbonylContact O-C 3.42Å; K44-G51 WeakPolarHBondContact O-CA 3.19Å; K44-R52 PolarHBondContact N-O 2.89Å; K44-R52 PolarHBondContact O-N 3.33Å; K44-T54 WeakPolarHBondContact CB-OG1 3.02Å
45L86.6Confident84.8Confident75 Ų7578.3 Ų78.339%0.39340%0.396SS..EExtended strand (participates in β ladder)trans-68130.1176.2-69.7156.1000110.8K31 C43 K47K31-L45 HydrophobicContact CB-CD1 4.27Å; K31-L45 HydrophobicContact CB-CD2 4.44Å; K31-L45 HydrophobicContact CD-CD1 4.09Å; C43-L45 PolarHBondContact O-N 2.93Å; L45-K47 WeakPolarHBondContact CD2-O 3.34Å
46F86.9Confident85.2Confident115 Ų11579 Ų7950%0.50440%0.402SS..EExtended strand (participates in β ladder)trans-112.6-14.3169.354.8-93.3000111.9K50 G51 R52F46-K50 WeakPolarHBondContact CD1-O 3.23Å; F46-K50 HydrophobicContact CD2-CB 4.23Å; F46-K50 HydrophobicContact CE1-CB 4.2Å; F46-K50 HydrophobicContact CE2-CB 3.46Å; F46-K50 VanDerWaalsContact CE2-CB 3.46Å; F46-K50 HydrophobicContact CE2-CD 4.29Å; F46-K50 WeakPolarHBondContact CG-O 2.97Å; F46-K50 HydrophobicContact CZ-CB 3.45Å; F46-K50 VanDerWaalsContact CZ-CB 3.45Å; F46-K50 PolarHBondContact N-O 2.81Å; F46-G51 VanDerWaalsContact CE1-CA 3.43Å; F46-G51 WeakPolarHBondContact CE1-O 3.48Å; F46-R52 HydrophobicContact CD1-CG 4.25Å; F46-R52 HydrophobicContact CE1-CG 3.64Å
47K83.9Confident85Confident129 Ų12976.5 Ų76.556%0.56140%0.396SS*.EExtended strand (participates in β ladder)trans-140.7162.6168.1-68.4-177.5179-172.20109.2L45 L49 K50L45-K47 WeakPolarHBondContact CD2-O 3.34Å; K47-L49 PolarHBondContact O-N 2.87Å; K47-K50 HydrophobicContact CB-CB 4.14Å; K47-K50 PolarHBondContact N-O 2.84Å; K47-K50 PolarHBondContact O-N 3.27Å; K47-K50 VanDerWaalsContact O-O 3.05Å
48P77Confident84Confident119 Ų11983.3 Ų83.377%0.77342%0.419SS*.THydrogen-bonded Turntrans-51-26.8-176.5-29.935.7000115.4
49L77.7Confident82.6Confident103 Ų10390.3 Ų90.354%0.53944%0.441SS..THydrogen-bonded Turntrans-126.74.2-178.8-60.3174.1000113.7S30 T32 K47S30-L49 VanDerWaalsContact CB-O 3.3Å; S30-L49 WeakPolarHBondContact CB-O 3.49Å; S30-L49 PolarHBondContact OG-O 2.94Å; T32-L49 HydrophobicContact CG2-CD2 4.28Å; T32-L49 WeakPolarHBondContact OG1-CD2 3.03Å; K47-L49 PolarHBondContact O-N 2.87Å
50K83.7Confident81.2Confident128 Ų12895.2 Ų95.256%0.55744%0.441SS*.EExtended strand (participates in β ladder)trans-129.8120.1-178.9-55.8-173.8176.4-174.80110.1F46 K47F46-K50 WeakPolarHBondContact CD1-O 3.23Å; F46-K50 HydrophobicContact CD2-CB 4.23Å; F46-K50 HydrophobicContact CE1-CB 4.2Å; F46-K50 HydrophobicContact CE2-CB 3.46Å; F46-K50 VanDerWaalsContact CE2-CB 3.46Å; F46-K50 HydrophobicContact CE2-CD 4.29Å; F46-K50 WeakPolarHBondContact CG-O 2.97Å; F46-K50 HydrophobicContact CZ-CB 3.45Å; F46-K50 VanDerWaalsContact CZ-CB 3.45Å; F46-K50 PolarHBondContact N-O 2.81Å; K47-K50 HydrophobicContact CB-CB 4.14Å; K47-K50 PolarHBondContact N-O 2.84Å; K47-K50 PolarHBondContact O-N 3.27Å; K47-K50 VanDerWaalsContact O-O 3.05Å
51G89.3Confident79.5Confident1 Ų194.7 Ų94.71%0.0145%0.449CS..EExtended strand (participates in β ladder)trans-133.2176.7172.600000111.5A28 C29 K44 F46A28-G51 WeakPolarHBondContact CA-O 3.35Å; C29-G51 PolarHBondContact N-O 3.04Å; C29-G51 CarbonylContact O-C 3.56Å; C29-G51 WeakPolarHBondContact O-CA 3.43Å; C29-G51 PolarHBondContact O-N 2.81Å; K44-G51 CarbonylContact O-C 3.42Å; K44-G51 WeakPolarHBondContact O-CA 3.19Å; F46-G51 VanDerWaalsContact CE1-CA 3.43Å; F46-G51 WeakPolarHBondContact CE1-O 3.48Å
52R89.7Confident77.7Confident147 Ų14799.6 Ų99.656%0.55548%0.48SS*.EExtended strand (participates in β ladder)trans-128145.7166.6-53.6-165.8-164.7-173.73.1111.5G26 E27 C29 K44 F46 T54G26-R52 WeakPolarHBondContact O-CD 3.34Å; E27-R52 CarbonylContact O-C 3.55Å; E27-R52 WeakPolarHBondContact O-CA 3.15Å; C29-R52 VanDerWaalsContact SG-CA 3.56Å; C29-R52 PolarHBondContact SG-N 2.9Å; K44-R52 PolarHBondContact N-O 2.89Å; K44-R52 PolarHBondContact O-N 3.33Å; F46-R52 HydrophobicContact CD1-CG 4.25Å; F46-R52 HydrophobicContact CE1-CG 3.64Å; R52-T54 PolarHBondContact O-N 3.33Å; R52-T54 PolarHBondContact O-OG1 2.82Å
53C90.8Very high75.6Confident1 Ų1101 Ų1011%0.00750%0.498CS..EExtended strand (participates in β ladder)trans-66120.1172-66.70000109.7N23 E24 G26 E27 C37 L41 Y42N23-C53 VanDerWaalsContact CB-SG 3.56Å; E24-C53 WeakPolarHBondContact O-CB 3.43Å; G26-C53 PolarHBondContact N-O 2.77Å; E27-C53 PolarHBondContact O-N 2.92Å; C37-C53 WeakPolarHBondContact CA-SG 3.39Å; C37-C53 HydrophobicContact CB-CB 3.63Å; C37-C53 WeakPolarHBondContact CB-SG 2.99Å; C37-C53 WeakPolarHBondContact SG-CA 3.14Å; C37-C53 WeakPolarHBondContact SG-CB 3.44Å; C37-C53 CovalentContact SG-SG 2.03Å; C37-C53 PolarHBondContact SG-SG 2.82Å; L41-C53 HydrophobicContact CB-CB 4.4Å; L41-C53 HydrophobicContact CD1-CB 4.27Å; Y42-C53 WeakPolarHBondContact O-CA 3.43Å
54T89.1Confident73.4Confident39 Ų39114.4 Ų114.424%0.23954%0.542CS..EExtended strand (participates in β ladder)trans-126.3135.2-173.7-55.70000109Y42 K44 R52Y42-T54 WeakPolarHBondContact CD1-O 2.94Å; Y42-T54 HydrophobicContact CE1-CG2 4.2Å; Y42-T54 WeakPolarHBondContact CE1-O 3.28Å; Y42-T54 PolarHBondContact N-O 2.01Å; Y42-T54 PolarHBondContact O-N 3.23Å; K44-T54 WeakPolarHBondContact CB-OG1 3.02Å; R52-T54 PolarHBondContact O-N 3.33Å; R52-T54 PolarHBondContact O-OG1 2.82Å
55N87.8Confident72.6Confident35 Ų35114.7 Ų114.719%0.18755%0.546CS..  trans-81124.5173.2-174.3-29.3000110E25 L41 K57 R58E25-N55 HydrophobicContact CG-CB 4.25Å; E25-N55 WeakPolarHBondContact OE2-CB 3.3Å; L41-N55 HydrophobicContact CD2-CB 3.59Å; N55-K57 PolarHBondContact O-N 3.27Å; N55-K57 WeakPolarHBondContact OD1-CA 3.12Å; N55-K57 WeakPolarHBondContact OD1-CB 3.4Å; N55-K57 PolarHBondContact OD1-N 3.45Å; N55-R58 HydrophobicContact CB-CB 4.13Å; N55-R58 HydrophobicContact CB-CG 4.06Å; N55-R58 PolarHBondContact O-N 3.36Å
56P78.8Confident71.9Confident66 Ų66116.7 Ų116.743%0.42955%0.554SS.*G310 helixtrans-63.6-28.3178.625.6-31.4000112.8E40 Y42E40-P56 WeakPolarHBondContact O-CD 3.38Å; Y42-P56 HydrophobicContact CD1-CB 4.15Å; Y42-P56 HydrophobicContact CD1-CG 4.31Å; Y42-P56 HydrophobicContact CE1-CB 3.85Å; Y42-P56 HydrophobicContact CE1-CG 4.43Å
57K72.9Confident71.1Confident149 Ų149116.8 Ų116.865%0.64856%0.557SS**G310 helixtrans-81.3-19.4-178.9-62.1177.2-177.2151.90113.9E40 N55 R59E40-K57 VanDerWaalsContact CD-NZ 3.28Å; E40-K57 IonicContact OE1-NZ 2.87Å; E40-K57 PolarHBondContact OE1-NZ 3.17Å; E40-K57 VanDerWaalsContact OE2-CD 3.23Å; E40-K57 WeakPolarHBondContact OE2-CD 3.47Å; E40-K57 WeakPolarHBondContact OE2-CE 3.47Å; E40-K57 IonicContact OE2-NZ 2.85Å; E40-K57 PolarHBondContact OE2-NZ 3.11Å; N55-K57 PolarHBondContact O-N 3.27Å; N55-K57 WeakPolarHBondContact OD1-CA 3.12Å; N55-K57 WeakPolarHBondContact OD1-CB 3.4Å; N55-K57 PolarHBondContact OD1-N 3.45Å; K57-R59 PolarHBondContact O-N 3.07Å
58R63.3Low70.3Confident162 Ų162116.1 Ų116.161%0.61156%0.556SS**G310 helixtrans-74.2-6179.1-85.4-122.8-114.2-171.2-4.6114.6E25 N55 H60 S61E25-R58 VanDerWaalsContact CD-NE 3.28Å; E25-R58 IonicContact OE1-CZ 2.86Å; E25-R58 IonicContact OE1-NE 2.93Å; E25-R58 PolarHBondContact OE1-NE 3.2Å; E25-R58 IonicContact OE1-NH2 3.68Å; E25-R58 PolarHBondContact OE1-NH2 2.93Å; E25-R58 IonicContact OE2-CZ 2.98Å; E25-R58 IonicContact OE2-NE 3.57Å; E25-R58 PolarHBondContact OE2-NE 2.87Å; E25-R58 IonicContact OE2-NH2 2.63Å; N55-R58 HydrophobicContact CB-CB 4.13Å; N55-R58 HydrophobicContact CB-CG 4.06Å; N55-R58 PolarHBondContact O-N 3.36Å; R58-H60 PolarHBondContact O-N 3.32Å; R58-H60 VanDerWaalsContact O-N 3.11Å; R58-S61 PolarHBondContact O-N 2.9Å
59R55.6Low69.9Low180 Ų180115.9 Ų115.968%0.67954%0.543SS*.G310 helixtrans-71.4-1.8-178.3-145.7-168.5-90.2-173.5-2.3114.4K57K57-R59 PolarHBondContact O-N 3.07Å
60H55.3Low69.4Low186 Ų186116.8 Ų116.886%0.86154%0.543SS*.G310 helixtrans-118.612.4178.8-101.9-95.3000115.1R58R58-H60 PolarHBondContact O-N 3.32Å; R58-H60 VanDerWaalsContact O-N 3.11Å
61S51Low68.4Low93 Ų93116 Ų11665%0.6554%0.542SS*.  trans-112.664.1174.9-167.10000110.8R58R58-S61 PolarHBondContact O-N 2.9Å
62T49.2Very low66.8Low134 Ų134124.8 Ų124.882%0.82258%0.583SS**  trans-119.376.9153.239.70000106.2
63T42.6Very low64.8Low110 Ų110123 Ų12368%0.67559%0.585SS**  trans-86.4141.5154.4-36.10000105.5
64W41.9Very low62.5Low321 Ų321134.1 Ų134.1100%1.21664%0.638SS**  trans100.30-169.8-51.1113.1000114.4

Retrieved 64 of 64 residues in 99.3 ms (Link to these results)