A0A5K4FBL5_SCHMA Loading...

UPF0506 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 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
1M59.4Low72.1Confident222 Ų222123.1 Ų123.1100%1.09466%0.661SS**  0-19.90-62.1167.8-17500112.9
2S60Low72.9Confident105 Ų105121.9 Ų121.973%0.73465%0.654SS**Hα-helixtrans-74.5-22.8-177.3-38.90000116M4S2-M4 VanDerWaalsContact C-N 3.33Å; S2-M4 PolarHBondContact O-N 3.1Å
3V64.5Low73.6Confident103 Ų103122.8 Ų122.862%0.62465%0.648SS**Hα-helixtrans-67.4-31.8-177.5-65.70000113.1K6 S7V3-K6 PolarHBondContact O-N 3.35Å; V3-S7 PolarHBondContact O-OG 2.75Å
4M65Low74.2Confident125 Ų125119.4 Ų119.462%0.61663%0.63SS**Hα-helixtrans-68.6-40.2-178.1-53.9-52.4-179.100111.3S2 K6 S7 F8S2-M4 VanDerWaalsContact C-N 3.33Å; S2-M4 PolarHBondContact O-N 3.1Å; M4-K6 VanDerWaalsContact C-N 3.31Å; M4-K6 PolarHBondContact O-N 3.13Å; M4-S7 PolarHBondContact O-N 3.19Å; M4-F8 WeakPolarHBondContact O-CD2 3.45Å; M4-F8 PolarHBondContact O-N 3.34Å
5C66.2Low74.7Confident88 Ų88118.4 Ų118.460%0.59562%0.624SS**Hα-helixtrans-62.1-35.7178.1-88.50000113.1L9C5-L9 WeakPolarHBondContact O-CG 3.36Å; C5-L9 PolarHBondContact O-N 3.12Å
6K73.9Confident75.2Confident163 Ų163114.8 Ų114.871%0.70961%0.612SS**Hα-helixtrans-66.5-40.6-179.5-162.794.7173.3-167.80111.5V3 M4 L9 F10V3-K6 PolarHBondContact O-N 3.35Å; M4-K6 VanDerWaalsContact C-N 3.31Å; M4-K6 PolarHBondContact O-N 3.13Å; K6-L9 PolarHBondContact O-N 3.26Å; K6-F10 PolarHBondContact O-N 2.94Å
7S76.9Confident75.1Confident79 Ų79114.1 Ų114.155%0.55261%0.606SS**Hα-helixtrans-65.7-42.2-179.7-54.80000112.2V3 M4 F10 S11V3-S7 PolarHBondContact O-OG 2.75Å; M4-S7 PolarHBondContact O-N 3.19Å; S7-F10 PolarHBondContact O-N 3.07Å; S7-S11 PolarHBondContact O-N 2.87Å
8F78.4Confident75Confident148 Ų148114.9 Ų114.965%0.64960%0.603SS**Hα-helixtrans-62.5-42.6175.5-75.5-72.2000111.9M4 S11 L12M4-F8 WeakPolarHBondContact O-CD2 3.45Å; M4-F8 PolarHBondContact O-N 3.34Å; F8-S11 PolarHBondContact O-N 3.48Å; F8-L12 WeakPolarHBondContact O-CG 3.13Å; F8-L12 PolarHBondContact O-N 3.03Å
9L81.3Confident74.8Confident98 Ų98114.4 Ų114.451%0.51360%0.6SS.*Hα-helixtrans-63.3-44.4176-67.9175.7000111.6C5 K6 S11 L12 F13C5-L9 WeakPolarHBondContact O-CG 3.36Å; C5-L9 PolarHBondContact O-N 3.12Å; K6-L9 PolarHBondContact O-N 3.26Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 3.49Å; L9-L12 PolarHBondContact O-N 3.38Å; L9-F13 VanDerWaalsContact O-CD2 3.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.44Å; L9-F13 PolarHBondContact O-N 3.32Å
10F83.3Confident74.5Confident142 Ų142113.2 Ų113.262%0.62360%0.597SS**Hα-helixtrans-61.2-42.7178.4-156.4-96.8000111.4K6 S7 L12 F13 I14K6-F10 PolarHBondContact O-N 2.94Å; S7-F10 PolarHBondContact O-N 3.07Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 3.1Å; F10-F13 PolarHBondContact O-N 3.41Å; F10-I14 HydrophobicContact CD1-CG1 3.95Å; F10-I14 HydrophobicContact CE1-CD1 4Å; F10-I14 HydrophobicContact CE1-CG1 3.91Å; F10-I14 HydrophobicContact CZ-CD1 4.47Å; F10-I14 VanDerWaalsContact O-CG1 3.27Å; F10-I14 WeakPolarHBondContact O-CG1 3.45Å; F10-I14 PolarHBondContact O-N 2.01Å
11S84.8Confident74Confident81 Ų81114.9 Ų114.957%0.56660%0.6SS**Hα-helixtrans-60.5-40.6175.1-166.30000112.6S7 F8 L9 I14 L15S7-S11 PolarHBondContact O-N 2.87Å; F8-S11 PolarHBondContact O-N 3.48Å; L9-S11 VanDerWaalsContact C-N 3.32Å; L9-S11 PolarHBondContact O-N 3.49Å; S11-I14 PolarHBondContact O-N 3.03Å; S11-L15 WeakPolarHBondContact O-CB 3.35Å; S11-L15 PolarHBondContact O-N 2.87Å
12L80.8Confident73.9Confident109 Ų109111.5 Ų111.557%0.57158%0.583SS**Hα-helixtrans-66.3-40.7176.1-74.1167.6000112.3F8 L9 F10 L15 S16F8-L12 WeakPolarHBondContact O-CG 3.13Å; F8-L12 PolarHBondContact O-N 3.03Å; L9-L12 PolarHBondContact O-N 3.38Å; F10-L12 VanDerWaalsContact C-N 3.33Å; F10-L12 PolarHBondContact O-N 3.1Å; L12-L15 PolarHBondContact O-N 3.42Å; L12-S16 WeakPolarHBondContact O-CB 3.21Å; L12-S16 PolarHBondContact O-N 2.88Å
13F82.5Confident73.8Confident133 Ų133114.7 Ų114.758%0.58359%0.587SS**Hα-helixtrans-61.9-45.1175-92.9-81.3000111.8L9 F10 S16 M17L9-F13 VanDerWaalsContact O-CD2 3.31Å; L9-F13 WeakPolarHBondContact O-CD2 3.44Å; L9-F13 PolarHBondContact O-N 3.32Å; F10-F13 PolarHBondContact O-N 3.41Å; F13-S16 PolarHBondContact O-N 3.16Å; F13-M17 VanDerWaalsContact O-CG 3.28Å; F13-M17 WeakPolarHBondContact O-CG 3.44Å; F13-M17 PolarHBondContact O-N 3.09Å
14I82.5Confident73.3Confident76 Ų76116.3 Ų116.339%0.3959%0.586SS.*Hα-helixtrans-62.1-46.1177.1-65.3-63.3000110.2F10 S11 S16 M17 F18F10-I14 HydrophobicContact CD1-CG1 3.95Å; F10-I14 HydrophobicContact CE1-CD1 4Å; F10-I14 HydrophobicContact CE1-CG1 3.91Å; F10-I14 HydrophobicContact CZ-CD1 4.47Å; F10-I14 VanDerWaalsContact O-CG1 3.27Å; F10-I14 WeakPolarHBondContact O-CG1 3.45Å; F10-I14 PolarHBondContact O-N 2.01Å; S11-I14 PolarHBondContact O-N 3.03Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-S16 PolarHBondContact O-N 3.12Å; I14-M17 PolarHBondContact O-N 2.9Å; I14-M17 VanDerWaalsContact O-N 3.17Å; I14-F18 HydrophobicContact CG2-CD2 3.7Å; I14-F18 HydrophobicContact CG2-CE2 3.36Å; I14-F18 WeakPolarHBondContact O-CD2 2.91Å; I14-F18 PolarHBondContact O-N 2.7Å
15L81.8Confident72.7Confident104 Ų104115.4 Ų115.455%0.54559%0.591SS.*Hα-helixtrans-60.5-42.2177-161.376.9000112.1S11 L12 M17 F18 I19S11-L15 WeakPolarHBondContact O-CB 3.35Å; S11-L15 PolarHBondContact O-N 2.87Å; L12-L15 PolarHBondContact O-N 3.42Å; L15-M17 VanDerWaalsContact C-N 3.31Å; L15-M17 PolarHBondContact O-N 3.14Å; L15-F18 PolarHBondContact O-N 3.04Å; L15-F18 VanDerWaalsContact O-N 3.16Å; L15-I19 HydrophobicContact CG-CD1 4.32Å; L15-I19 VanDerWaalsContact O-CG1 3.32Å; L15-I19 WeakPolarHBondContact O-CG1 2.87Å; L15-I19 PolarHBondContact O-N 2.76Å
16S81.5Confident72.2Confident61 Ų61115.8 Ų115.843%0.42759%0.587SS.*Hα-helixtrans-59-42.1175.3-176.60000112L12 F13 I14 F18 I19 T20L12-S16 WeakPolarHBondContact O-CB 3.21Å; L12-S16 PolarHBondContact O-N 2.88Å; F13-S16 PolarHBondContact O-N 3.16Å; I14-S16 VanDerWaalsContact C-N 3.34Å; I14-S16 PolarHBondContact O-N 3.12Å; S16-F18 VanDerWaalsContact C-N 3.31Å; S16-F18 PolarHBondContact O-N 3.31Å; S16-I19 PolarHBondContact O-N 3.49Å; S16-T20 PolarHBondContact O-N 3.29Å; S16-T20 VanDerWaalsContact O-N 3.15Å; S16-T20 PolarHBondContact O-OG1 2.73Å
17M74.4Confident71.4Confident103 Ų103111.9 Ų111.951%0.50758%0.581SS.*Hα-helixtrans-67.3-32.2178.1-67.2-70.3149.600112.4F13 I14 L15 T20 K21F13-M17 VanDerWaalsContact O-CG 3.28Å; F13-M17 WeakPolarHBondContact O-CG 3.44Å; F13-M17 PolarHBondContact O-N 3.09Å; I14-M17 PolarHBondContact O-N 2.9Å; I14-M17 VanDerWaalsContact O-N 3.17Å; L15-M17 VanDerWaalsContact C-N 3.31Å; L15-M17 PolarHBondContact O-N 3.14Å; M17-T20 PolarHBondContact O-OG1 3.37Å; M17-K21 PolarHBondContact O-N 2.62Å
18F72.2Confident71Confident128 Ų128112.9 Ų112.956%0.56158%0.58SS**Hα-helixtrans-69.3-43.2174-81.3-71.3000111.8I14 L15 S16 T20 K21 M22I14-F18 HydrophobicContact CG2-CD2 3.7Å; I14-F18 HydrophobicContact CG2-CE2 3.36Å; I14-F18 WeakPolarHBondContact O-CD2 2.91Å; I14-F18 PolarHBondContact O-N 2.7Å; L15-F18 PolarHBondContact O-N 3.04Å; L15-F18 VanDerWaalsContact O-N 3.16Å; S16-F18 VanDerWaalsContact C-N 3.31Å; S16-F18 PolarHBondContact O-N 3.31Å; F18-T20 VanDerWaalsContact C-N 3.33Å; F18-T20 PolarHBondContact O-N 3.37Å; F18-K21 PolarHBondContact O-N 3.42Å; F18-M22 PolarHBondContact O-N 2.95Å
19I72.3Confident71Confident105 Ų105108.4 Ų108.454%0.53857%0.566SS.*Hα-helixtrans-61.5-42.5178.6-61.8162.5000110.5L15 S16 K21 M22L15-I19 HydrophobicContact CG-CD1 4.32Å; L15-I19 VanDerWaalsContact O-CG1 3.32Å; L15-I19 WeakPolarHBondContact O-CG1 2.87Å; L15-I19 PolarHBondContact O-N 2.76Å; S16-I19 PolarHBondContact O-N 3.49Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.01Å; I19-M22 PolarHBondContact O-N 2.9Å
20T68.8Low71.1Confident90 Ų90106.6 Ų106.655%0.55255%0.554SS**Hα-helixtrans-66.5-25.617853.50000114.3S16 M17 F18S16-T20 PolarHBondContact O-N 3.29Å; S16-T20 VanDerWaalsContact O-N 3.15Å; S16-T20 PolarHBondContact O-OG1 2.73Å; M17-T20 PolarHBondContact O-OG1 3.37Å; F18-T20 VanDerWaalsContact C-N 3.33Å; F18-T20 PolarHBondContact O-N 3.37Å
21K63.7Low71.2Confident150 Ų150106.3 Ų106.365%0.65256%0.555SS**Hα-helixtrans-77.7-31.6178.8-82-170.1165.373.40112.4M17 F18 I19 E23 F24M17-K21 PolarHBondContact O-N 2.62Å; F18-K21 PolarHBondContact O-N 3.42Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 3.01Å; K21-E23 VanDerWaalsContact C-N 3.32Å; K21-E23 PolarHBondContact O-N 3.09Å; K21-F24 PolarHBondContact O-N 3.25Å
22M58Low71.3Confident151 Ų151109 Ų10974%0.74456%0.556SS**Hα-helixtrans-72.2-24.9-175.7-69.9-153.5-71.200113.4F18 I19 F24F18-M22 PolarHBondContact O-N 2.95Å; I19-M22 PolarHBondContact O-N 2.9Å; M22-F24 PolarHBondContact O-N 3.33Å
23E57.7Low71.4Confident172 Ų172106 Ų10680%0.80455%0.552SS**G310 helixtrans-71.7-12.5179.8-164.4149.880.200113.3K21K21-E23 VanDerWaalsContact C-N 3.32Å; K21-E23 PolarHBondContact O-N 3.09Å
24F54Low71.6Confident137 Ų137103.5 Ų103.560%0.60154%0.542SS*.G310 helixtrans-100.59.8-171.4-147.3-101.7000115.8K21 M22 N28K21-F24 PolarHBondContact O-N 3.25Å; M22-F24 PolarHBondContact O-N 3.33Å; F24-N28 WeakPolarHBondContact CE1-ND2 3.15Å
25S52.7Low71.7Confident105 Ų105105.4 Ų105.473%0.73455%0.549SS*.G310 helixtrans-86.5-7.7174.1-74.80000114.4
26D53.9Low71.8Confident96 Ų96100.4 Ų100.451%0.51352%0.523SS..SBendtrans-113.36.1-165.6-136.1-100.8000116.8
27S58.5Low71.5Confident81 Ų8198.9 Ų98.957%0.56651%0.512SS*.  trans-148.922.4-175750000117.6C29S27-C29 PolarHBondContact O-N 2.85Å
28N67.8Low71.1Confident101 Ų101100.8 Ų100.854%0.5452%0.518SS..  trans-76.784.8158.5-69.5-59.3000107.1F24F24-N28 WeakPolarHBondContact CE1-ND2 3.15Å
29C78.8Confident70.8Confident53 Ų5397.9 Ų97.936%0.35851%0.511SS..PPolyproline II helixtrans-58.1144.1169.964.80000108.7S27 P43 C45S27-C29 PolarHBondContact O-N 2.85Å; C29-P43 CarbonylContact C-O 3.53Å; C29-P43 WeakPolarHBondContact CA-O 3.26Å; C29-C45 VanDerWaalsContact CA-SG 3.59Å; C29-C45 HydrophobicContact CB-CB 3.86Å; C29-C45 WeakPolarHBondContact CB-SG 3.45Å; C29-C45 PolarHBondContact O-SG 3.48Å; C29-C45 VanDerWaalsContact SG-CA 3.53Å; C29-C45 WeakPolarHBondContact SG-CB 2.97Å; C29-C45 CovalentContact SG-SG 2.02Å; C29-C45 PolarHBondContact SG-SG 2.03Å
30K82.9Confident70.4Confident60 Ų6098.5 Ų98.526%0.26152%0.519SS..BIsolated β-bridgetrans-83.2128.7-175.9-63.5-62.4-175.1179.30110.1E34 P43 C44 C45 C60K30-E34 WeakPolarHBondContact CA-OE2 3.38Å; K30-E34 HydrophobicContact CB-CB 4.06Å; K30-E34 HydrophobicContact CD-CB 4.24Å; K30-P43 PolarHBondContact N-O 3.01Å; K30-C44 CarbonylContact O-C 3.38Å; K30-C44 WeakPolarHBondContact O-CA 3.1Å; K30-C45 PolarHBondContact O-N 3.09Å; K30-C60 WeakPolarHBondContact CB-SG 3.04Å
31Q86.5Confident70.1Confident136 Ų136101.4 Ų101.464%0.63652%0.524SS*.PPolyproline II helixtrans-74169.7175.1-60.2-170.220.300111.2G33 E34 C60Q31-G33 PolarHBondContact O-N 2.79Å; Q31-E34 HydrophobicContact CB-CG 4.24Å; Q31-E34 WeakPolarHBondContact CB-OE2 3.44Å; Q31-E34 PolarHBondContact N-OE2 3.36Å; Q31-E34 VanDerWaalsContact O-CB 3.32Å; Q31-E34 WeakPolarHBondContact O-CB 3.24Å; Q31-E34 PolarHBondContact O-N 3.03Å; Q31-E34 VanDerWaalsContact O-N 3.07Å; Q31-C60 VanDerWaalsContact O-CB 3.27Å; Q31-C60 WeakPolarHBondContact O-CB 3.37Å
32K85.9Confident70.3Confident137 Ų13795.6 Ų95.660%0.59650%0.503SS*.THydrogen-bonded Turntrans-57.2129.2179.1-178.7-179.3173.3172.50111E34 L48 D62K32-E34 VanDerWaalsContact C-N 3.27Å; K32-E34 PolarHBondContact O-N 2.94Å; K32-L48 HydrophobicContact CB-CD1 4.02Å; K32-L48 HydrophobicContact CB-CD2 3.96Å; K32-L48 HydrophobicContact CG-CD2 4.23Å; K32-L48 VanDerWaalsContact N-CD1 3.35Å; K32-D62 WeakPolarHBondContact CD-OD2 3.27Å; K32-D62 WeakPolarHBondContact CE-OD2 2.94Å; K32-D62 IonicContact NZ-OD2 2.62Å; K32-D62 PolarHBondContact NZ-OD2 2.91Å
33G83.8Confident71.1Confident47 Ų4791.2 Ų91.249%0.48549%0.486SS..THydrogen-bonded Turntrans85.3-12-17900000114.6Q31 C60Q31-G33 PolarHBondContact O-N 2.79Å; G33-C60 PolarHBondContact N-O 3.37Å
34E86.3Confident72.2Confident80 Ų8084 Ų8437%0.37445%0.454SS..SBendtrans-71.4152.7173.9-65.8-162.490.700111.5K30 Q31 K32 C36 K59 C60K30-E34 WeakPolarHBondContact CA-OE2 3.38Å; K30-E34 HydrophobicContact CB-CB 4.06Å; K30-E34 HydrophobicContact CD-CB 4.24Å; Q31-E34 HydrophobicContact CB-CG 4.24Å; Q31-E34 WeakPolarHBondContact CB-OE2 3.44Å; Q31-E34 PolarHBondContact N-OE2 3.36Å; Q31-E34 VanDerWaalsContact O-CB 3.32Å; Q31-E34 WeakPolarHBondContact O-CB 3.24Å; Q31-E34 PolarHBondContact O-N 3.03Å; Q31-E34 VanDerWaalsContact O-N 3.07Å; K32-E34 VanDerWaalsContact C-N 3.27Å; K32-E34 PolarHBondContact O-N 2.94Å; E34-C36 PolarHBondContact O-N 3.33Å; E34-K59 WeakPolarHBondContact O-CA 3.48Å; E34-C60 PolarHBondContact O-N 3.26Å
35E85.2Confident73.6Confident116 Ų11679.2 Ų79.254%0.54244%0.437SS..EExtended strand (participates in β ladder)trans-70.7129.7177.2-163.5-179.1130.200110.6H57 G58E35-H57 IonicContact OE1-CE1 3.59Å; E35-H57 IonicContact OE1-CG 3.87Å; E35-H57 IonicContact OE1-ND1 2.78Å; E35-H57 PolarHBondContact OE1-ND1 2.86Å; E35-G58 CarbonylContact C-O 3.58Å; E35-G58 WeakPolarHBondContact CA-O 3.16Å; E35-G58 WeakPolarHBondContact CG-O 3.42Å
36C83.1Confident74.9Confident0 Ų077.4 Ų77.40%044%0.435CS..EExtended strand (participates in β ladder)trans-125.9159.1177.763.10000110E34 C50 G58 K59E34-C36 PolarHBondContact O-N 3.33Å; C36-C50 VanDerWaalsContact C-SG 3.52Å; C36-C50 HydrophobicContact CB-CB 3.82Å; C36-C50 WeakPolarHBondContact CB-SG 3.03Å; C36-C50 WeakPolarHBondContact SG-CA 3.36Å; C36-C50 WeakPolarHBondContact SG-CB 3.06Å; C36-C50 CovalentContact SG-SG 2.02Å; C36-C50 PolarHBondContact SG-SG 3.39Å; C36-G58 PolarHBondContact N-O 2.02Å; C36-G58 PolarHBondContact O-N 3.5Å; C36-G58 PolarHBondContact SG-O 3.42Å; C36-K59 PolarHBondContact SG-N 2.84Å; C36-K59 VanDerWaalsContact SG-N 3.42Å
37S75.5Confident75.9Confident28 Ų2878.3 Ų78.320%0.19644%0.44CS..  trans-123.7153.3172.5-57.10000108.4T39 F56S37-T39 WeakPolarHBondContact CB-OG1 3.43Å; S37-T39 PolarHBondContact O-N 3.39Å; S37-F56 VanDerWaalsContact CA-O 3.31Å; S37-F56 WeakPolarHBondContact CA-O 3.45Å; S37-F56 VanDerWaalsContact CB-O 3.32Å; S37-F56 WeakPolarHBondContact CB-O 3.39Å; S37-F56 PolarHBondContact OG-O 3.14Å
38K66.3Low77Confident144 Ų14475.8 Ų75.863%0.62642%0.42SS*.SBendtrans-65.93.2176-156.2174.6178.9174.50113.2L52K38-L52 HydrophobicContact CB-CD1 4.25Å; K38-L52 HydrophobicContact CB-CD2 4.29Å; K38-L52 HydrophobicContact CD-CD1 4.39Å; K38-L52 HydrophobicContact CD-CD2 4.36Å; K38-L52 HydrophobicContact CG-CD1 4.44Å
39T65.7Low77.7Confident66 Ų6671.3 Ų71.341%0.40540%0.396SS..SBendtrans-87.2156.2177.258.30000111S37 F41S37-T39 WeakPolarHBondContact CB-OG1 3.43Å; S37-T39 PolarHBondContact O-N 3.39Å; T39-F41 PolarHBondContact O-N 3.1Å; T39-F41 VanDerWaalsContact O-N 3.14Å
40V63.8Low77.8Confident118 Ų11869.9 Ų69.972%0.71539%0.387SS*.THydrogen-bonded Turntrans-64.2-17.1-179.4-176.30000112.4S42 P43V40-S42 VanDerWaalsContact C-N 3.34Å; V40-S42 PolarHBondContact O-N 3.01Å; V40-P43 WeakPolarHBondContact O-CD 3.25Å
41F62.4Low77.7Confident152 Ų15269.7 Ų69.767%0.66739%0.386SS*.THydrogen-bonded Turntrans-71-22.6-176.3-62.3-68.5000114.8T39T39-F41 PolarHBondContact O-N 3.1Å; T39-F41 VanDerWaalsContact O-N 3.14Å
42S67.5Low77.4Confident28 Ų2866 Ų6620%0.19637%0.37CS..SBendtrans-133.962.9-176.6-64.60000112V40V40-S42 VanDerWaalsContact C-N 3.34Å; V40-S42 PolarHBondContact O-N 3.01Å
43P75.3Confident77.1Confident59 Ų5964.6 Ų64.638%0.38337%0.369SS..PPolyproline II helixtrans-71.6145.217931.5-32.4000110.3C29 K30 V40C29-P43 CarbonylContact C-O 3.53Å; C29-P43 WeakPolarHBondContact CA-O 3.26Å; K30-P43 PolarHBondContact N-O 3.01Å; V40-P43 WeakPolarHBondContact O-CD 3.25Å
44C81.2Confident76.6Confident21 Ų2169.5 Ų69.514%0.14238%0.38CS..BIsolated β-bridgetrans-76.2146.5171.5-57.10000110.9K30 L48 C60K30-C44 CarbonylContact O-C 3.38Å; K30-C44 WeakPolarHBondContact O-CA 3.1Å; C44-L48 HydrophobicContact CB-CB 3.52Å; C44-L48 WeakPolarHBondContact CB-O 3.41Å; C44-C60 VanDerWaalsContact CA-SG 3.57Å; C44-C60 HydrophobicContact CB-CB 3.74Å; C44-C60 WeakPolarHBondContact CB-SG 3.35Å; C44-C60 WeakPolarHBondContact SG-CA 3.32Å; C44-C60 WeakPolarHBondContact SG-CB 3.22Å; C44-C60 CovalentContact SG-SG 2.03Å; C44-C60 PolarHBondContact SG-SG 2.02Å
45C82.9Confident76.1Confident35 Ų3572.8 Ų72.824%0.23640%0.399CS..SBendtrans-71.4138.6179.6-59.90000112.4C29 K30 N47 L48C29-C45 VanDerWaalsContact CA-SG 3.59Å; C29-C45 HydrophobicContact CB-CB 3.86Å; C29-C45 WeakPolarHBondContact CB-SG 3.45Å; C29-C45 PolarHBondContact O-SG 3.48Å; C29-C45 VanDerWaalsContact SG-CA 3.53Å; C29-C45 WeakPolarHBondContact SG-CB 2.97Å; C29-C45 CovalentContact SG-SG 2.02Å; C29-C45 PolarHBondContact SG-SG 2.03Å; K30-C45 PolarHBondContact O-N 3.09Å; C45-N47 PolarHBondContact O-N 2.94Å; C45-L48 WeakPolarHBondContact O-CB 3.47Å; C45-L48 WeakPolarHBondContact O-CD1 3.32Å; C45-L48 WeakPolarHBondContact O-CG 3.42Å; C45-L48 PolarHBondContact O-N 2.71Å
46G79.6Confident75.5Confident68 Ų6873.8 Ų73.870%0.70140%0.402SS*.THydrogen-bonded Turntrans66.8-122.9168.200000113.8
47N75.8Confident75.3Confident115 Ų11578 Ų7862%0.61542%0.421SS*.THydrogen-bonded Turntrans-95.111.1-178.5-62.7-42.9000113.4C45C45-N47 PolarHBondContact O-N 2.94Å
48L81.6Confident75.8Confident27 Ų2776.9 Ų76.914%0.14141%0.413CS..  trans-76.6141.2177.8-65.1171.2000110.1K32 C44 C45 C60 V61 D62K32-L48 HydrophobicContact CB-CD1 4.02Å; K32-L48 HydrophobicContact CB-CD2 3.96Å; K32-L48 HydrophobicContact CG-CD2 4.23Å; K32-L48 VanDerWaalsContact N-CD1 3.35Å; C44-L48 HydrophobicContact CB-CB 3.52Å; C44-L48 WeakPolarHBondContact CB-O 3.41Å; C45-L48 WeakPolarHBondContact O-CB 3.47Å; C45-L48 WeakPolarHBondContact O-CD1 3.32Å; C45-L48 WeakPolarHBondContact O-CG 3.42Å; C45-L48 PolarHBondContact O-N 2.71Å; L48-C60 HydrophobicContact CB-CB 4.3Å; L48-C60 HydrophobicContact CD1-CB 4.29Å; L48-V61 WeakPolarHBondContact CA-O 3.5Å; L48-D62 WeakPolarHBondContact CD2-OD1 2.94Å
49V81.3Confident76.8Confident8 Ų875.1 Ų75.15%0.04841%0.406CS..EExtended strand (participates in β ladder)trans-110.5146.3173.6-64.60000110.6K51 C60 V61 Y72 C73V49-K51 PolarHBondContact O-N 3.49Å; V49-C60 WeakPolarHBondContact O-CA 3.27Å; V49-V61 HydrophobicContact CG2-CG2 3.96Å; V49-V61 PolarHBondContact N-O 2.77Å; V49-V61 PolarHBondContact O-N 3.3Å; V49-Y72 HydrophobicContact CG2-CD1 4.37Å; V49-C73 VanDerWaalsContact CG1-SG 3.51Å; V49-C73 WeakPolarHBondContact CG2-SG 3.47Å
50C81Confident77.9Confident23 Ų2372 Ų7216%0.15539%0.387CS..EExtended strand (participates in β ladder)trans-79.9103.3172.8-1730000109.6C36 Y72C36-C50 VanDerWaalsContact C-SG 3.52Å; C36-C50 HydrophobicContact CB-CB 3.82Å; C36-C50 WeakPolarHBondContact CB-SG 3.03Å; C36-C50 WeakPolarHBondContact SG-CA 3.36Å; C36-C50 WeakPolarHBondContact SG-CB 3.06Å; C36-C50 CovalentContact SG-SG 2.02Å; C36-C50 PolarHBondContact SG-SG 3.39Å; C50-Y72 WeakPolarHBondContact O-CE1 3.32Å; C50-Y72 PolarHBondContact O-OH 3.07Å; C50-Y72 VanDerWaalsContact O-OH 3.09Å
51K80.7Confident78.9Confident55 Ų5567.8 Ų67.824%0.23936%0.361CS..EExtended strand (participates in β ladder)trans-87.3113.3174.2178.7177.5179169.80109V49 D53 G58 K59 V61 D69V49-K51 PolarHBondContact O-N 3.49Å; K51-D53 PolarHBondContact O-N 2.85Å; K51-G58 CarbonylContact O-C 3.45Å; K51-G58 WeakPolarHBondContact O-CA 3.33Å; K51-K59 PolarHBondContact N-O 3.47Å; K51-K59 PolarHBondContact O-N 2.78Å; K51-V61 HydrophobicContact CB-CG1 4.45Å; K51-V61 HydrophobicContact CB-CG2 3.6Å; K51-V61 HydrophobicContact CD-CG2 4.09Å; K51-D69 WeakPolarHBondContact CD-OD1 3.5Å; K51-D69 WeakPolarHBondContact CE-OD1 3.19Å; K51-D69 IonicContact NZ-OD1 2.73Å; K51-D69 PolarHBondContact NZ-OD1 2.89Å; K51-D69 IonicContact NZ-OD2 2.87Å; K51-D69 PolarHBondContact NZ-OD2 3.34Å
52L80.3Confident80Confident58 Ų5863.3 Ų63.330%0.30434%0.344SS..EExtended strand (participates in β ladder)trans-75.4117.9179.1-76.877.3000110K38 H57K38-L52 HydrophobicContact CB-CD1 4.25Å; K38-L52 HydrophobicContact CB-CD2 4.29Å; K38-L52 HydrophobicContact CD-CD1 4.39Å; K38-L52 HydrophobicContact CD-CD2 4.36Å; K38-L52 HydrophobicContact CG-CD1 4.44Å; L52-H57 WeakPolarHBondContact CA-O 3Å
53D79.2Confident80.4Confident109 Ų10963.2 Ų63.258%0.58334%0.343SS*.SBendtrans-89.1-24.9169.9-66.2-56.8000110.9K51 H57K51-D53 PolarHBondContact O-N 2.85Å; D53-H57 PolarHBondContact N-O 3.34Å; D53-H57 VanDerWaalsContact N-O 3.1Å
54Q74.3Confident80.2Confident150 Ų15067.9 Ų67.970%0.70136%0.364SS*.SBendtrans-137.8171.5-179-116.2169.8-21.400111.4F56 H57Q54-F56 PolarHBondContact O-N 2.84Å; Q54-H57 HydrophobicContact CB-CB 4.36Å; Q54-H57 PolarHBondContact N-O 3.37Å; Q54-H57 PolarHBondContact O-N 2.91Å; Q54-H57 VanDerWaalsContact O-O 3.09Å
55L75Confident79.5Confident149 Ų14970.1 Ų70.178%0.7838%0.38SS*.SBendtrans-56.3114.5172.6-98.674.2000109.3H57L55-H57 PolarHBondContact O-CD2 3.43Å; L55-H57 PolarHBondContact O-N 3.13Å; L55-H57 VanDerWaalsContact O-N 3.13Å
56F72.4Confident78.7Confident137 Ų13773.3 Ų73.360%0.60139%0.394SS*.SBendtrans66.6-5.1179.6-52.6-78.6000117.8S37 Q54S37-F56 VanDerWaalsContact CA-O 3.31Å; S37-F56 WeakPolarHBondContact CA-O 3.45Å; S37-F56 VanDerWaalsContact CB-O 3.32Å; S37-F56 WeakPolarHBondContact CB-O 3.39Å; S37-F56 PolarHBondContact OG-O 3.14Å; Q54-F56 PolarHBondContact O-N 2.84Å
57H79.3Confident78.4Confident89 Ų8976.2 Ų76.241%0.41240%0.398SS..  trans-115.7133.8177.4-66.8-96.3000110.9E35 L52 D53 Q54 L55E35-H57 IonicContact OE1-CE1 3.59Å; E35-H57 IonicContact OE1-CG 3.87Å; E35-H57 IonicContact OE1-ND1 2.78Å; E35-H57 PolarHBondContact OE1-ND1 2.86Å; L52-H57 WeakPolarHBondContact CA-O 3Å; D53-H57 PolarHBondContact N-O 3.34Å; D53-H57 VanDerWaalsContact N-O 3.1Å; Q54-H57 HydrophobicContact CB-CB 4.36Å; Q54-H57 PolarHBondContact N-O 3.37Å; Q54-H57 PolarHBondContact O-N 2.91Å; Q54-H57 VanDerWaalsContact O-O 3.09Å; L55-H57 PolarHBondContact O-CD2 3.43Å; L55-H57 PolarHBondContact O-N 3.13Å; L55-H57 VanDerWaalsContact O-N 3.13Å
58G86.7Confident78.1Confident3 Ų379.3 Ų79.33%0.03141%0.406CS..EExtended strand (participates in β ladder)trans-152-176.3-177.900000112.5E35 C36 K51E35-G58 CarbonylContact C-O 3.58Å; E35-G58 WeakPolarHBondContact CA-O 3.16Å; E35-G58 WeakPolarHBondContact CG-O 3.42Å; C36-G58 PolarHBondContact N-O 2.02Å; C36-G58 PolarHBondContact O-N 3.5Å; C36-G58 PolarHBondContact SG-O 3.42Å; K51-G58 CarbonylContact O-C 3.45Å; K51-G58 WeakPolarHBondContact O-CA 3.33Å
59K87.9Confident77.5Confident108 Ų10878.5 Ų78.547%0.4740%0.402SS..EExtended strand (participates in β ladder)trans-126.6147.1175.1-68.1178.9-177.8176.10111.4E34 C36 K51 V61E34-K59 WeakPolarHBondContact O-CA 3.48Å; C36-K59 PolarHBondContact SG-N 2.84Å; C36-K59 VanDerWaalsContact SG-N 3.42Å; K51-K59 PolarHBondContact N-O 3.47Å; K51-K59 PolarHBondContact O-N 2.78Å; K59-V61 PolarHBondContact O-N 3.18Å
60C87.6Confident77.1Confident0 Ų080.3 Ų80.30%041%0.413CS..EExtended strand (participates in β ladder)trans-73.1118173.3-64.70000110.4K30 Q31 G33 E34 C44 L48 V49K30-C60 WeakPolarHBondContact CB-SG 3.04Å; Q31-C60 VanDerWaalsContact O-CB 3.27Å; Q31-C60 WeakPolarHBondContact O-CB 3.37Å; G33-C60 PolarHBondContact N-O 3.37Å; E34-C60 PolarHBondContact O-N 3.26Å; C44-C60 VanDerWaalsContact CA-SG 3.57Å; C44-C60 HydrophobicContact CB-CB 3.74Å; C44-C60 WeakPolarHBondContact CB-SG 3.35Å; C44-C60 WeakPolarHBondContact SG-CA 3.32Å; C44-C60 WeakPolarHBondContact SG-CB 3.22Å; C44-C60 CovalentContact SG-SG 2.03Å; C44-C60 PolarHBondContact SG-SG 2.02Å; L48-C60 HydrophobicContact CB-CB 4.3Å; L48-C60 HydrophobicContact CD1-CB 4.29Å; V49-C60 WeakPolarHBondContact O-CA 3.27Å
61V86Confident76.9Confident29 Ų2983.8 Ų83.818%0.17643%0.433CS..EExtended strand (participates in β ladder)trans-128.2157.1-179.3-61.40000111.4L48 V49 K51 K59L48-V61 WeakPolarHBondContact CA-O 3.5Å; V49-V61 HydrophobicContact CG2-CG2 3.96Å; V49-V61 PolarHBondContact N-O 2.77Å; V49-V61 PolarHBondContact O-N 3.3Å; K51-V61 HydrophobicContact CB-CG1 4.45Å; K51-V61 HydrophobicContact CB-CG2 3.6Å; K51-V61 HydrophobicContact CD-CG2 4.09Å; K59-V61 PolarHBondContact O-N 3.18Å
62D84.8Confident76.6Confident59 Ų5984.3 Ų84.332%0.31643%0.434SS..  trans-74.6144.8170.4-61.2-68.8000110.2K32 L48 L64 S65K32-D62 WeakPolarHBondContact CD-OD2 3.27Å; K32-D62 WeakPolarHBondContact CE-OD2 2.94Å; K32-D62 IonicContact NZ-OD2 2.62Å; K32-D62 PolarHBondContact NZ-OD2 2.91Å; L48-D62 WeakPolarHBondContact CD2-OD1 2.94Å; D62-L64 PolarHBondContact O-N 3.43Å; D62-S65 PolarHBondContact O-N 3.15Å; D62-S65 PolarHBondContact O-OG 3.46Å
63C75Confident76.2Confident26 Ų2681.8 Ų81.818%0.17642%0.421CS..THydrogen-bonded Turntrans-63.5-13.2179.4-72.50000115.9V70 C73C63-V70 WeakPolarHBondContact O-CG2 3.47Å; C63-C73 WeakPolarHBondContact CA-SG 3.32Å; C63-C73 HydrophobicContact CB-CB 3.48Å; C63-C73 VanDerWaalsContact CB-CB 3.48Å; C63-C73 WeakPolarHBondContact CB-SG 3.44Å; C63-C73 WeakPolarHBondContact SG-CB 3.48Å; C63-C73 CovalentContact SG-SG 2.01Å; C63-C73 PolarHBondContact SG-SG 3.4Å
64L71.8Confident75.9Confident157 Ų15783.3 Ų83.382%0.82242%0.423SS*.THydrogen-bonded Turntrans-101.35.6-174.7-66165.1000113.3D62D62-L64 PolarHBondContact O-N 3.43Å
65S66.8Low75.8Confident67 Ų6778.9 Ų78.947%0.46941%0.406SS..SBendtrans-73.2-34.7-173.1-65.60000114.7D62D62-S65 PolarHBondContact O-N 3.15Å; D62-S65 PolarHBondContact O-OG 3.46Å
66L65.6Low75.5Confident103 Ų10374.4 Ų74.454%0.53938%0.382SS..  trans-145.8152.7172.7-71.5108.7000110.7K68 D69 V70L66-K68 PolarHBondContact O-N 3.33Å; L66-K68 VanDerWaalsContact O-N 3.16Å; L66-D69 HydrophobicContact CB-CB 4.48Å; L66-D69 WeakPolarHBondContact CB-OD2 3.35Å; L66-D69 VanDerWaalsContact CD1-OD2 3.24Å; L66-D69 WeakPolarHBondContact CD1-OD2 3.32Å; L66-D69 WeakPolarHBondContact O-CA 2.99Å; L66-D69 WeakPolarHBondContact O-CB 3.44Å; L66-D69 PolarHBondContact O-N 3.01Å; L66-V70 PolarHBondContact O-N 3.33Å; L66-V70 VanDerWaalsContact O-N 3.12Å
67V72.8Confident75.2Confident128 Ų12869.8 Ų69.878%0.77636%0.363SS*.Hα-helixtrans-54.7-36.2176.9178.30000112.5D69 V70V67-D69 VanDerWaalsContact C-N 3.32Å; V67-D69 PolarHBondContact O-N 3.36Å; V67-V70 WeakPolarHBondContact O-CB 3.42Å; V67-V70 PolarHBondContact O-N 3.47Å
68K69.7Low74.1Confident180 Ų18069.4 Ų69.478%0.78337%0.368SS*.Hα-helixtrans-67.2-33.4175.8-68.4-177.5177.3176.40112.5L66 V70 Y72L66-K68 PolarHBondContact O-N 3.33Å; L66-K68 VanDerWaalsContact O-N 3.16Å; K68-V70 VanDerWaalsContact C-N 3.34Å; K68-Y72 PolarHBondContact O-N 3.16Å
69D69.2Low72.6Confident10 Ų1076.4 Ų76.45%0.05340%0.404CS..Hα-helixtrans-74.5-28.4179-62.4-30.8000111.4K51 L66 V67 V71 Y72 C73K51-D69 WeakPolarHBondContact CD-OD1 3.5Å; K51-D69 WeakPolarHBondContact CE-OD1 3.19Å; K51-D69 IonicContact NZ-OD1 2.73Å; K51-D69 PolarHBondContact NZ-OD1 2.89Å; K51-D69 IonicContact NZ-OD2 2.87Å; K51-D69 PolarHBondContact NZ-OD2 3.34Å; L66-D69 HydrophobicContact CB-CB 4.48Å; L66-D69 WeakPolarHBondContact CB-OD2 3.35Å; L66-D69 VanDerWaalsContact CD1-OD2 3.24Å; L66-D69 WeakPolarHBondContact CD1-OD2 3.32Å; L66-D69 WeakPolarHBondContact O-CA 2.99Å; L66-D69 WeakPolarHBondContact O-CB 3.44Å; L66-D69 PolarHBondContact O-N 3.01Å; V67-D69 VanDerWaalsContact C-N 3.32Å; V67-D69 PolarHBondContact O-N 3.36Å; D69-V71 PolarHBondContact O-N 3.37Å; D69-Y72 PolarHBondContact O-N 3.17Å; D69-C73 VanDerWaalsContact O-CB 3.25Å; D69-C73 WeakPolarHBondContact O-CB 3.31Å; D69-C73 PolarHBondContact O-N 3.4Å
70V73.3Confident70.9Confident46 Ų4673.7 Ų73.728%0.27940%0.395SS..Hα-helixtrans-57.8-49.3174.3175.30000110.9C63 L66 V67 K68 C73 F74C63-V70 WeakPolarHBondContact O-CG2 3.47Å; L66-V70 PolarHBondContact O-N 3.33Å; L66-V70 VanDerWaalsContact O-N 3.12Å; V67-V70 WeakPolarHBondContact O-CB 3.42Å; V67-V70 PolarHBondContact O-N 3.47Å; K68-V70 VanDerWaalsContact C-N 3.34Å; V70-C73 WeakPolarHBondContact O-CB 3.34Å; V70-C73 PolarHBondContact O-N 3.42Å; V70-F74 HydrophobicContact CG1-CD2 3.67Å; V70-F74 HydrophobicContact CG1-CE2 3.39Å; V70-F74 WeakPolarHBondContact O-CD2 3.28Å; V70-F74 PolarHBondContact O-N 3.17Å
71V76.9Confident69.1Low96 Ų9680.6 Ų80.658%0.58243%0.425SS*.Hα-helixtrans-63.6-45.1178-179.90000110.8D69 C73 F74 V75D69-V71 PolarHBondContact O-N 3.37Å; V71-C73 VanDerWaalsContact C-N 3.25Å; V71-C73 PolarHBondContact O-N 3.07Å; V71-F74 PolarHBondContact O-N 3.41Å; V71-V75 WeakPolarHBondContact O-CG2 3.47Å; V71-V75 PolarHBondContact O-N 2.94Å; V71-V75 VanDerWaalsContact O-N 3.13Å
72Y73.5Confident67.3Low67 Ų6784.4 Ų84.426%0.26345%0.453SS..Hα-helixtrans-58-41.6176.3-176.6-95.8000111.8V49 C50 K68 D69 V75 N76V49-Y72 HydrophobicContact CG2-CD1 4.37Å; C50-Y72 WeakPolarHBondContact O-CE1 3.32Å; C50-Y72 PolarHBondContact O-OH 3.07Å; C50-Y72 VanDerWaalsContact O-OH 3.09Å; K68-Y72 PolarHBondContact O-N 3.16Å; D69-Y72 PolarHBondContact O-N 3.17Å; Y72-V75 PolarHBondContact O-N 2.97Å; Y72-N76 HydrophobicContact CE1-CB 4.24Å; Y72-N76 VanDerWaalsContact CE2-ND2 3.32Å; Y72-N76 WeakPolarHBondContact CE2-ND2 3.11Å; Y72-N76 WeakPolarHBondContact O-CB 3.44Å; Y72-N76 PolarHBondContact O-N 3.26Å; Y72-N76 PolarHBondContact O-ND2 3.05Å
73C72.5Confident65.4Low5 Ų586.1 Ų86.13%0.03447%0.465CS..Hα-helixtrans-62.8-49.3173.9-88.60000112.4V49 C63 D69 V70 V71 V75 N76 H77V49-C73 VanDerWaalsContact CG1-SG 3.51Å; V49-C73 WeakPolarHBondContact CG2-SG 3.47Å; C63-C73 WeakPolarHBondContact CA-SG 3.32Å; C63-C73 HydrophobicContact CB-CB 3.48Å; C63-C73 VanDerWaalsContact CB-CB 3.48Å; C63-C73 WeakPolarHBondContact CB-SG 3.44Å; C63-C73 WeakPolarHBondContact SG-CB 3.48Å; C63-C73 CovalentContact SG-SG 2.01Å; C63-C73 PolarHBondContact SG-SG 3.4Å; D69-C73 VanDerWaalsContact O-CB 3.25Å; D69-C73 WeakPolarHBondContact O-CB 3.31Å; D69-C73 PolarHBondContact O-N 3.4Å; V70-C73 WeakPolarHBondContact O-CB 3.34Å; V70-C73 PolarHBondContact O-N 3.42Å; V71-C73 VanDerWaalsContact C-N 3.25Å; V71-C73 PolarHBondContact O-N 3.07Å; C73-V75 PolarHBondContact O-N 3.48Å; C73-V75 VanDerWaalsContact O-N 3.12Å; C73-N76 CarbonylContact O-C 3.55Å; C73-N76 PolarHBondContact O-N 3.42Å; C73-H77 WeakPolarHBondContact O-CA 3.31Å; C73-H77 WeakPolarHBondContact O-CB 3.27Å; C73-H77 PolarHBondContact O-N 3.04Å
74F72.2Confident63.8Low141 Ų14188.6 Ų88.662%0.61847%0.473SS*.Hα-helixtrans-52.8-39176.8-85.3-70.9000112V70 V71 N80V70-F74 HydrophobicContact CG1-CD2 3.67Å; V70-F74 HydrophobicContact CG1-CE2 3.39Å; V70-F74 WeakPolarHBondContact O-CD2 3.28Å; V70-F74 PolarHBondContact O-N 3.17Å; V71-F74 PolarHBondContact O-N 3.41Å; F74-N80 WeakPolarHBondContact O-CB 3.42Å; F74-N80 PolarHBondContact O-ND2 3.37Å
75V73.5Confident62.5Low57 Ų5788 Ų8835%0.34547%0.47SS..Hα-helixtrans-74.3-37.5178.1178.60000112.7V71 Y72 C73 F84V71-V75 WeakPolarHBondContact O-CG2 3.47Å; V71-V75 PolarHBondContact O-N 2.94Å; V71-V75 VanDerWaalsContact O-N 3.13Å; Y72-V75 PolarHBondContact O-N 2.97Å; C73-V75 PolarHBondContact O-N 3.48Å; C73-V75 VanDerWaalsContact O-N 3.12Å; V75-F84 HydrophobicContact CB-CE2 4.29Å; V75-F84 HydrophobicContact CB-CZ 4.2Å; V75-F84 HydrophobicContact CG1-CD1 4.26Å; V75-F84 HydrophobicContact CG1-CD2 4.45Å; V75-F84 HydrophobicContact CG1-CE1 3.81Å; V75-F84 HydrophobicContact CG1-CE2 4.02Å; V75-F84 HydrophobicContact CG1-CZ 3.69Å; V75-F84 HydrophobicContact CG2-CE2 4.25Å; V75-F84 HydrophobicContact CG2-CZ 3.91Å
76N67.3Low61.1Low54 Ų5493.2 Ų93.229%0.28949%0.486SS..Hα-helixtrans-102.2-2.1-173.1-68.9-86.6000114.8Y72 C73Y72-N76 HydrophobicContact CE1-CB 4.24Å; Y72-N76 VanDerWaalsContact CE2-ND2 3.32Å; Y72-N76 WeakPolarHBondContact CE2-ND2 3.11Å; Y72-N76 WeakPolarHBondContact O-CB 3.44Å; Y72-N76 PolarHBondContact O-N 3.26Å; Y72-N76 PolarHBondContact O-ND2 3.05Å; C73-N76 CarbonylContact O-C 3.55Å; C73-N76 PolarHBondContact O-N 3.42Å
77H67Low59.7Low40 Ų4091 Ų9119%0.18548%0.479CS..  trans-64.7134.6-175.4-160.2-101.1000110.1C73 L79 N80 K81C73-H77 WeakPolarHBondContact O-CA 3.31Å; C73-H77 WeakPolarHBondContact O-CB 3.27Å; C73-H77 PolarHBondContact O-N 3.04Å; H77-L79 PolarHBondContact ND1-N 3.38Å; H77-L79 PolarHBondContact O-N 3.21Å; H77-L79 VanDerWaalsContact O-N 3.14Å; H77-N80 PolarHBondContact O-N 2.96Å; H77-K81 PolarHBondContact O-N 2.98Å; H77-K81 VanDerWaalsContact O-N 3.09Å
78P56.6Low58.1Low81 Ų8190.1 Ų90.153%0.52648%0.476SS..THydrogen-bonded Turntrans-57.1-32.2-178.820-31.7000113.1N80P78-N80 PolarHBondContact O-N 2.98Å
79L54.8Low56.6Low151 Ų15190.3 Ų90.379%0.79148%0.477SS*.THydrogen-bonded Turntrans-71-24.3175.2-62.7174.9000114.1H77H77-L79 PolarHBondContact ND1-N 3.38Å; H77-L79 PolarHBondContact O-N 3.21Å; H77-L79 VanDerWaalsContact O-N 3.14Å
80N52.5Low55.1Low50 Ų5097.7 Ų97.727%0.26752%0.516SS..THydrogen-bonded Turntrans-99-7179-164.933.8000113.2F74 H77 P78 S82 T83F74-N80 WeakPolarHBondContact O-CB 3.42Å; F74-N80 PolarHBondContact O-ND2 3.37Å; H77-N80 PolarHBondContact O-N 2.96Å; P78-N80 PolarHBondContact O-N 2.98Å; N80-S82 PolarHBondContact O-N 3.33Å; N80-T83 PolarHBondContact O-N 3.43Å; N80-T83 PolarHBondContact OD1-OG1 3.35Å; N80-T83 VanDerWaalsContact OD1-OG1 3.1Å
81K48.5Very low53.3Low145 Ų145100.8 Ų100.863%0.6354%0.54SS*.Hα-helixtrans-60.1-20.7178.7-137.7173.7-173178.60112.8H77 T83H77-K81 PolarHBondContact O-N 2.98Å; H77-K81 VanDerWaalsContact O-N 3.09Å; K81-T83 PolarHBondContact O-N 3.33Å
82S48.5Very low51.6Low110 Ų110106.5 Ų106.577%0.76957%0.574SS**Hα-helixtrans-67-18.3173.4-156.40000113.7N80N80-S82 PolarHBondContact O-N 3.33Å
83T45.5Very low50.5Low94 Ų94108.5 Ų108.558%0.57759%0.59SS**Hα-helixtrans-96.9-27.9-178.8-41.80000112.4N80 K81N80-T83 PolarHBondContact O-N 3.43Å; N80-T83 PolarHBondContact OD1-OG1 3.35Å; N80-T83 VanDerWaalsContact OD1-OG1 3.1Å; K81-T83 PolarHBondContact O-N 3.33Å
84F41.9Very low49.3Very low78 Ų78113.9 Ų113.934%0.34262%0.619SS.*Hα-helixtrans-86.1-5.9-170.9-99-87.1000116V75 H86 S87V75-F84 HydrophobicContact CB-CE2 4.29Å; V75-F84 HydrophobicContact CB-CZ 4.2Å; V75-F84 HydrophobicContact CG1-CD1 4.26Å; V75-F84 HydrophobicContact CG1-CD2 4.45Å; V75-F84 HydrophobicContact CG1-CE1 3.81Å; V75-F84 HydrophobicContact CG1-CE2 4.02Å; V75-F84 HydrophobicContact CG1-CZ 3.69Å; V75-F84 HydrophobicContact CG2-CE2 4.25Å; V75-F84 HydrophobicContact CG2-CZ 3.91Å; F84-H86 PolarHBondContact O-N 3.41Å; F84-H86 VanDerWaalsContact O-N 3.1Å; F84-S87 WeakPolarHBondContact CD1-OG 3.35Å; F84-S87 WeakPolarHBondContact CE1-OG 3.1Å; F84-S87 PolarHBondContact O-N 3.35Å
85I43.5Very low48Very low146 Ų146112.4 Ų112.475%0.74962%0.619SS**THydrogen-bonded Turntrans-63.4-14.7171.6-55.3-177.1000110.9
86H36.8Very low46.5Very low176 Ų176115.6 Ų115.682%0.81564%0.635SS**THydrogen-bonded Turntrans-108.513.9-177.8-101.2-133.3000116.4F84F84-H86 PolarHBondContact O-N 3.41Å; F84-H86 VanDerWaalsContact O-N 3.1Å
87S37.9Very low45.2Very low55 Ų55119.5 Ų119.539%0.38566%0.657SS.*  trans-135.385.2177.358.60000113F84 F89F84-S87 WeakPolarHBondContact CD1-OG 3.35Å; F84-S87 WeakPolarHBondContact CE1-OG 3.1Å; F84-S87 PolarHBondContact O-N 3.35Å; S87-F89 PolarHBondContact O-N 3.43Å
88P39.5Very low43.8Very low111 Ų111124.8 Ų124.872%0.72169%0.688SS**  trans-7526.3173.731.7-34.6000113.9
89F37.5Very low42.9Very low183 Ų183127.9 Ų127.980%0.80370%0.7SS**  trans-110.126.8-161.8-112.4-83.9000116.4S87S87-F89 PolarHBondContact O-N 3.43Å
90L37.2Very low41.9Very low165 Ų165126.2 Ų126.286%0.86469%0.693SS**  trans-130.265.4166-92.2116.8000110.9
91S35.5Very low41.1Very low112 Ų112132.5 Ų132.578%0.78373%0.728SS**  trans-13181.5156.6-5.70000106.1
92V40.5Very low40.4Very low215 Ų215131.4 Ų131.4100%1.30374%0.737SS**  trans-104.60156.1175.50000105.4

Retrieved 92 of 92 residues in 17 ms (Link to these results)