A0A3Q0KG14_SCHMA Loading...

Putative heterogeneous nuclear ribonucleoprotein

AlphaFold DB , UniProt , Accession A0A3Q0KG14, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 315 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
1M49.3Very low56.1Low252 Ų252135.8 Ų135.8100%1.24166%0.664SS**  029.10-74.9172.1169.800113.4
2G55.6Low56.9Low63 Ų63140.3 Ų140.365%0.64967%0.669SS**  trans-99-9.7-170.500000118.3
3R52.4Low58.8Low213 Ų213133.4 Ų133.480%0.80464%0.641SS**Hα-helixtrans-77-36.4-170.7-70.4-169.8-173.3173.72.3114.9N5 S6 E7R3-N5 VanDerWaalsContact C-N 3.29Å; R3-N5 PolarHBondContact O-N 3.46Å; R3-S6 PolarHBondContact O-N 3.38Å; R3-E7 PolarHBondContact O-N 3.35Å
4R54.3Low61Low206 Ų206128.4 Ų128.478%0.77762%0.616SS**Hα-helixtrans-66.1-26.1-175-73.2-174.8-156.5162.16.1114.4N8R4-N8 PolarHBondContact O-N 2.88Å; R4-N8 PolarHBondContact O-ND2 3.25Å
5N48.4Very low63Low137 Ų137122.3 Ų122.373%0.73359%0.587SS**Hα-helixtrans-79.2-32.8-178.7-111.720.4000112.8R3 N9R3-N5 VanDerWaalsContact C-N 3.29Å; R3-N5 PolarHBondContact O-N 3.46Å; N5-N9 PolarHBondContact O-N 2.84Å
6S56.2Low64.9Low68 Ų68118.4 Ų118.448%0.47657%0.566SS.*Hα-helixtrans-67.7-50175.1-164.30000110.5R3 N8 N9 D10R3-S6 PolarHBondContact O-N 3.38Å; S6-N8 VanDerWaalsContact C-N 3.28Å; S6-N8 PolarHBondContact O-N 2.82Å; S6-N9 PolarHBondContact O-N 2.97Å; S6-N9 VanDerWaalsContact O-N 3.07Å; S6-D10 WeakPolarHBondContact O-CB 3.39Å; S6-D10 PolarHBondContact O-N 3.47Å; S6-D10 PolarHBondContact OG-OD2 3.28Å
7E54.3Low66.7Low106 Ų106114.3 Ų114.350%0.49554%0.544SS..Hα-helixtrans-60.4-36.5-177.4-66.1172.513900112.6R3 R11R3-E7 PolarHBondContact O-N 3.35Å; E7-R11 WeakPolarHBondContact O-CB 3.35Å; E7-R11 VanDerWaalsContact O-CG 3.26Å; E7-R11 WeakPolarHBondContact O-CG 3.32Å; E7-R11 PolarHBondContact O-N 3.45Å; E7-R11 VanDerWaalsContact O-N 3.07Å
8N57.1Low68.4Low92 Ų92109.9 Ų109.949%0.49252%0.522SS..Hα-helixtrans-72.7-36.1177.1-80-19.8000112.7R4 S6 R12R4-N8 PolarHBondContact O-N 2.88Å; R4-N8 PolarHBondContact O-ND2 3.25Å; S6-N8 VanDerWaalsContact C-N 3.28Å; S6-N8 PolarHBondContact O-N 2.82Å; N8-R12 PolarHBondContact O-N 3.38Å
9N58.8Low70Confident101 Ų101104.2 Ų104.254%0.5450%0.495SS..Hα-helixtrans-68.2-44.8175.5-164.145.5000110.2N5 S6 R11 R12 T13N5-N9 PolarHBondContact O-N 2.84Å; S6-N9 PolarHBondContact O-N 2.97Å; S6-N9 VanDerWaalsContact O-N 3.07Å; N9-R11 VanDerWaalsContact C-N 3.32Å; N9-R11 PolarHBondContact O-N 2.77Å; N9-R12 PolarHBondContact O-N 2.72Å; N9-R12 VanDerWaalsContact O-N 3.16Å; N9-T13 WeakPolarHBondContact O-CG2 3.49Å; N9-T13 PolarHBondContact O-N 3.22Å; N9-T13 PolarHBondContact O-OG1 3.11Å
10D66.1Low71.4Confident84 Ų84101.3 Ų101.345%0.44948%0.48SS..Hα-helixtrans-62.5-38179.5-64.3-25.3000112.1S6 T13 E14S6-D10 WeakPolarHBondContact O-CB 3.39Å; S6-D10 PolarHBondContact O-N 3.47Å; S6-D10 PolarHBondContact OG-OD2 3.28Å; D10-T13 WeakPolarHBondContact CA-OG1 3.39Å; D10-T13 PolarHBondContact O-N 3.38Å; D10-T13 PolarHBondContact O-OG1 3.47Å; D10-E14 VanDerWaalsContact O-CB 3.25Å; D10-E14 WeakPolarHBondContact O-CB 3.39Å; D10-E14 PolarHBondContact O-N 3.37Å
11R65.2Low72.6Confident172 Ų17296.4 Ų96.465%0.64946%0.457SS*.Hα-helixtrans-67-39.9174.6-76.4177.8-178.3-1763.3113E7 N9 E14 Q15E7-R11 WeakPolarHBondContact O-CB 3.35Å; E7-R11 VanDerWaalsContact O-CG 3.26Å; E7-R11 WeakPolarHBondContact O-CG 3.32Å; E7-R11 PolarHBondContact O-N 3.45Å; E7-R11 VanDerWaalsContact O-N 3.07Å; N9-R11 VanDerWaalsContact C-N 3.32Å; N9-R11 PolarHBondContact O-N 2.77Å; R11-E14 PolarHBondContact O-N 3.44Å; R11-Q15 PolarHBondContact O-N 2.94Å
12R64.7Low74.9Confident190 Ų19084.7 Ų84.772%0.71740%0.401SS*.Hα-helixtrans-67.8-38.5176.6-76.8-175.4175.2-169-0.8111.2N8 N9 Q15 F16N8-R12 PolarHBondContact O-N 3.38Å; N9-R12 PolarHBondContact O-N 2.72Å; N9-R12 VanDerWaalsContact O-N 3.16Å; R12-Q15 WeakPolarHBondContact O-CB 3.48Å; R12-Q15 PolarHBondContact O-N 3.16Å; R12-F16 WeakPolarHBondContact O-CD2 3.2Å; R12-F16 WeakPolarHBondContact O-CE2 3.27Å
13T81.8Confident76.8Confident50 Ų5083.2 Ų83.231%0.30739%0.385SS..Hα-helixtrans-74.4-32.2176.860.20000112.4N9 D10 Q15 F16 R17N9-T13 WeakPolarHBondContact O-CG2 3.49Å; N9-T13 PolarHBondContact O-N 3.22Å; N9-T13 PolarHBondContact O-OG1 3.11Å; D10-T13 WeakPolarHBondContact CA-OG1 3.39Å; D10-T13 PolarHBondContact O-N 3.38Å; D10-T13 PolarHBondContact O-OG1 3.47Å; T13-Q15 VanDerWaalsContact C-N 3.29Å; T13-Q15 PolarHBondContact O-N 3.3Å; T13-F16 PolarHBondContact O-N 3.2Å; T13-R17 WeakPolarHBondContact O-CG 3.43Å; T13-R17 PolarHBondContact O-NE 3.14Å
14E89.7Confident79Confident64 Ų6473.3 Ų73.330%0.29935%0.348SS..Hα-helixtrans-59.6-41.6171.3-169.1-169.5126.400111D10 R11 F16 R17 K18 T64D10-E14 VanDerWaalsContact O-CB 3.25Å; D10-E14 WeakPolarHBondContact O-CB 3.39Å; D10-E14 PolarHBondContact O-N 3.37Å; R11-E14 PolarHBondContact O-N 3.44Å; E14-F16 VanDerWaalsContact C-N 3.29Å; E14-F16 PolarHBondContact O-N 3.1Å; E14-R17 CarbonylContact O-C 3.59Å; E14-R17 WeakPolarHBondContact O-CA 3.35Å; E14-R17 PolarHBondContact O-N 3.26Å; E14-K18 WeakPolarHBondContact O-CB 3.46Å; E14-K18 PolarHBondContact O-N 3.47Å; E14-K18 IonicContact OE1-NZ 2.73Å; E14-K18 PolarHBondContact OE1-NZ 3.11Å; E14-T64 HydrophobicContact CG-CG2 3.63Å
15Q91Very high81Confident37 Ų3764.5 Ų64.517%0.17332%0.318CS..Hα-helixtrans-56.4-41.5-178.3-168.167.157.800113R11 R12 T13 R17 K18 A92 M93 P94 L167R11-Q15 PolarHBondContact O-N 2.94Å; R12-Q15 WeakPolarHBondContact O-CB 3.48Å; R12-Q15 PolarHBondContact O-N 3.16Å; T13-Q15 VanDerWaalsContact C-N 3.29Å; T13-Q15 PolarHBondContact O-N 3.3Å; Q15-R17 PolarHBondContact O-N 3.26Å; Q15-K18 PolarHBondContact O-N 3.28Å; Q15-A92 PolarHBondContact NE2-O 3.18Å; Q15-M93 VanDerWaalsContact NE2-C 3.32Å; Q15-M93 PolarHBondContact NE2-O 3.46Å; Q15-P94 HydrophobicContact CG-CG 4.05Å; Q15-L167 HydrophobicContact CG-CD2 3.95Å
16F94.1Very high83.1Confident59 Ų5963.1 Ų63.126%0.25932%0.316SS..Hα-helixtrans-68.6-16.9178.8-61.1-60.1000113.6R12 T13 E14 P68 L167 Y168R12-F16 WeakPolarHBondContact O-CD2 3.2Å; R12-F16 WeakPolarHBondContact O-CE2 3.27Å; T13-F16 PolarHBondContact O-N 3.2Å; E14-F16 VanDerWaalsContact C-N 3.29Å; E14-F16 PolarHBondContact O-N 3.1Å; F16-P68 HydrophobicContact CB-CB 4.27Å; F16-L167 HydrophobicContact CD1-CB 4.28Å; F16-L167 HydrophobicContact CE1-CB 4.12Å; F16-L167 WeakPolarHBondContact CE1-O 3.44Å; F16-Y168 AromaticContact CD1-CD2 3.97Å; F16-Y168 HydrophobicContact CD1-CD2 3.97Å; F16-Y168 HydrophobicContact CD1-CE1 4.2Å; F16-Y168 AromaticContact CD1-CE2 3.58Å; F16-Y168 HydrophobicContact CD1-CE2 3.58Å; F16-Y168 HydrophobicContact CD1-CG 4.47Å; F16-Y168 AromaticContact CD1-CZ 3.71Å; F16-Y168 HydrophobicContact CE1-CD1 4.25Å; F16-Y168 AromaticContact CE1-CD2 3.93Å; F16-Y168 HydrophobicContact CE1-CD2 3.93Å; F16-Y168 HydrophobicContact CE1-CE1 4.31Å; F16-Y168 HydrophobicContact CE1-CE2 4.02Å; F16-Y168 HydrophobicContact CE1-CG 4.08Å; F16-Y168 HydrophobicContact CG-CE2 4.5Å
17R95.9Very high84.8Confident49 Ų4966.3 Ų66.319%0.18533%0.327CS..THydrogen-bonded Turntrans-104.93.8-177.3-57.5-175.1-70.9136.36.1112.9T13 E14 Q15 T64 Y65 K66 P68 V71T13-R17 WeakPolarHBondContact O-CG 3.43Å; T13-R17 PolarHBondContact O-NE 3.14Å; E14-R17 CarbonylContact O-C 3.59Å; E14-R17 WeakPolarHBondContact O-CA 3.35Å; E14-R17 PolarHBondContact O-N 3.26Å; Q15-R17 PolarHBondContact O-N 3.26Å; R17-T64 HydrophobicContact CB-CG2 4.26Å; R17-T64 WeakPolarHBondContact O-CA 3.48Å; R17-Y65 WeakPolarHBondContact CB-O 3.3Å; R17-Y65 PolarHBondContact NH1-O 3.35Å; R17-Y65 PolarHBondContact O-N 3.44Å; R17-K66 WeakPolarHBondContact CD-O 3.02Å; R17-K66 PolarHBondContact NH1-O 3.24Å; R17-P68 HydrophobicContact CG-CB 4.07Å; R17-V71 VanDerWaalsContact C-CG2 3.41Å; R17-V71 WeakPolarHBondContact O-CG2 3.46Å
18K97.3Very high86.8Confident36 Ų3661.5 Ų61.516%0.15731%0.305CS..EExtended strand (participates in β ladder)trans-107.4130.3-170.1-163.4170.2-154.2149.90112.1E14 Q15 F62 I63 A92E14-K18 WeakPolarHBondContact O-CB 3.46Å; E14-K18 PolarHBondContact O-N 3.47Å; E14-K18 IonicContact OE1-NZ 2.73Å; E14-K18 PolarHBondContact OE1-NZ 3.11Å; Q15-K18 PolarHBondContact O-N 3.28Å; K18-F62 HydrophobicContact CD-CD1 4.49Å; K18-F62 HydrophobicContact CG-CD1 4.46Å; K18-I63 CarbonylContact C-O 3.49Å; K18-I63 VanDerWaalsContact CA-O 3.31Å; K18-I63 WeakPolarHBondContact CA-O 3.38Å; K18-I63 WeakPolarHBondContact CG-O 3.11Å; K18-A92 HydrophobicContact CB-CB 3.87Å; K18-A92 HydrophobicContact CD-CB 4.12Å; K18-A92 HydrophobicContact CG-CB 3.74Å; K18-A92 WeakPolarHBondContact O-CB 3.34Å; K18-A92 PolarHBondContact O-N 3.46Å
19L97.7Very high88.6Confident0 Ų060 Ų600%030%0.299CS..EExtended strand (participates in β ladder)trans-108.5138.4170.5-70.4174.8000110.8I21 Y37 F62 I63 Y65 V71 A74 Q75 K90 R91L19-I21 HydrophobicContact CB-CD1 3.69Å; L19-Y37 HydrophobicContact CD1-CE1 4.24Å; L19-F62 VanDerWaalsContact O-CA 3.24Å; L19-F62 WeakPolarHBondContact O-CA 3.42Å; L19-I63 HydrophobicContact CB-CD1 4.33Å; L19-I63 HydrophobicContact CB-CG1 3.8Å; L19-I63 HydrophobicContact CD1-CD1 4.12Å; L19-I63 HydrophobicContact CD1-CG1 4.49Å; L19-I63 PolarHBondContact N-O 2.76Å; L19-I63 PolarHBondContact O-N 2.8Å; L19-Y65 HydrophobicContact CD1-CE2 3.94Å; L19-V71 HydrophobicContact CD2-CG1 3.6Å; L19-V71 HydrophobicContact CG-CG1 3.98Å; L19-V71 HydrophobicContact CG-CG2 4.45Å; L19-A74 HydrophobicContact CD1-CB 3.87Å; L19-Q75 HydrophobicContact CD2-CG 4.18Å; L19-K90 CarbonylContact C-O 3.43Å; L19-K90 VanDerWaalsContact CA-O 3.3Å; L19-K90 WeakPolarHBondContact CA-O 3.5Å; L19-K90 WeakPolarHBondContact CD2-O 3.38Å; L19-R91 HydrophobicContact CD2-CG 4.46Å
20F97.5Very high90.5Very high46 Ų4657.8 Ų57.820%0.20229%0.286CS..EExtended strand (participates in β ladder)trans-86.4129.6161.2166.7-91.7000108.9F60 F62 K90F20-F60 HydrophobicContact CD2-CD2 4.08Å; F20-F60 HydrophobicContact CE2-CB 3.8Å; F20-F60 AromaticContact CE2-CD2 3.44Å; F20-F60 HydrophobicContact CE2-CD2 3.44Å; F20-F60 VanDerWaalsContact CE2-CD2 3.44Å; F20-F60 HydrophobicContact CE2-CE2 4.2Å; F20-F60 AromaticContact CE2-CG 3.86Å; F20-F60 HydrophobicContact CE2-CG 3.86Å; F20-F60 HydrophobicContact CZ-CB 3.95Å; F20-F60 HydrophobicContact CZ-CD2 4.37Å; F20-F60 HydrophobicContact CZ-CG 4.37Å; F20-F62 HydrophobicContact CB-CD1 4.14Å; F20-F62 HydrophobicContact CB-CE1 3.88Å; F20-F62 HydrophobicContact CD2-CD1 4.47Å; F20-F62 AromaticContact CD2-CE1 3.77Å; F20-F62 HydrophobicContact CD2-CE1 3.77Å; F20-F62 AromaticContact CD2-CZ 3.85Å; F20-F62 HydrophobicContact CD2-CZ 3.85Å; F20-F62 HydrophobicContact CG-CE1 4.34Å; F20-K90 HydrophobicContact CB-CB 4.48Å; F20-K90 HydrophobicContact CD1-CB 4.24Å; F20-K90 PolarHBondContact N-O 3.34Å; F20-K90 PolarHBondContact O-N 3.3Å
21I98Very high92Very high0 Ų057.1 Ų57.10%029%0.292CS..EExtended strand (participates in β ladder)trans-116.5106.1176.7-41.8-48.4000108.8L19 L24 Y37 F60 G61 I63 V87 E88 A89L19-I21 HydrophobicContact CB-CD1 3.69Å; I21-L24 HydrophobicContact CB-CD2 4.27Å; I21-L24 HydrophobicContact CG2-CD2 3.55Å; I21-L24 HydrophobicContact CG2-CG 4.4Å; I21-Y37 HydrophobicContact CD1-CE1 3.89Å; I21-Y37 HydrophobicContact CD1-CE2 3.86Å; I21-Y37 WeakPolarHBondContact CD1-OH 3.43Å; I21-Y37 HydrophobicContact CG1-CE2 3.76Å; I21-Y37 HydrophobicContact CG2-CE2 4.08Å; I21-Y37 WeakPolarHBondContact CG2-OH 3.26Å; I21-F60 CarbonylContact O-C 3.51Å; I21-F60 WeakPolarHBondContact O-CA 3.44Å; I21-F60 WeakPolarHBondContact O-CB 3.35Å; I21-G61 PolarHBondContact N-O 3.46Å; I21-G61 PolarHBondContact O-N 2.69Å; I21-I63 HydrophobicContact CD1-CG1 4.29Å; I21-I63 HydrophobicContact CG1-CG1 4.48Å; I21-V87 HydrophobicContact CG2-CB 3.92Å; I21-V87 HydrophobicContact CG2-CG2 3.82Å; I21-E88 CarbonylContact C-O 3.57Å; I21-E88 WeakPolarHBondContact CA-O 3.49Å; I21-A89 HydrophobicContact CD1-CB 4.18Å
22G97Very high93.5Very high5 Ų553.1 Ų53.15%0.05228%0.279CS..EExtended strand (participates in β ladder)trans-95.2159.6176.800000112.6V87 E88G22-V87 WeakPolarHBondContact O-CA 3.46Å; G22-V87 WeakPolarHBondContact O-CB 3.39Å; G22-E88 PolarHBondContact N-O 2.92Å; G22-E88 PolarHBondContact O-N 2.67Å
23G96.3Very high95Very high32 Ų3244.1 Ų44.133%0.3325%0.245SC..SBendtrans8015.2174.200000114.7G59 K85G23-G59 CarbonylContact C-O 3.59Å; G23-G59 PolarHBondContact N-O 3.5Å; G23-K85 VanDerWaalsContact O-CD 3.26Å; G23-K85 WeakPolarHBondContact O-CD 3.3Å; G23-K85 WeakPolarHBondContact O-CE 3.48Å; G23-K85 PolarHBondContact O-NZ 3.47Å
24L97.4Very high95.8Very high5 Ų546.4 Ų46.43%0.02625%0.251CS..  trans-58.4149.1176.1-55.6-176.5000111.6I21 T28 L33 V48 G59 V87I21-L24 HydrophobicContact CB-CD2 4.27Å; I21-L24 HydrophobicContact CG2-CD2 3.55Å; I21-L24 HydrophobicContact CG2-CG 4.4Å; L24-T28 HydrophobicContact CD1-CG2 4.49Å; L24-T28 HydrophobicContact CD2-CG2 4.24Å; L24-L33 HydrophobicContact CD1-CD1 3.8Å; L24-L33 HydrophobicContact CD1-CD2 4.21Å; L24-L33 HydrophobicContact CD1-CG 4.42Å; L24-L33 HydrophobicContact CD2-CD2 3.75Å; L24-V48 HydrophobicContact CD1-CG2 4.42Å; L24-G59 PolarHBondContact N-O 3.38Å; L24-V87 HydrophobicContact CD2-CB 4.44Å; L24-V87 HydrophobicContact CD2-CG1 3.79Å
25T96.1Very high96.2Very high21 Ų2149.6 Ų49.613%0.12927%0.27CS..  trans-74.6158170.778.80000109.7L27 T28 D83 K85T25-L27 PolarHBondContact O-N 3.35Å; T25-L27 VanDerWaalsContact O-N 3.1Å; T25-L27 PolarHBondContact OG1-N 3.31Å; T25-T28 PolarHBondContact N-OG1 2.91Å; T25-T28 PolarHBondContact O-N 2.85Å; T25-T28 VanDerWaalsContact O-N 3.14Å; T25-T28 PolarHBondContact O-OG1 3.04Å; T25-T28 PolarHBondContact OG1-N 3.21Å; T25-T28 PolarHBondContact OG1-OG1 3.3Å; T25-D83 HydrophobicContact CG2-CB 3.92Å; T25-K85 HydrophobicContact CG2-CB 3.95Å; T25-K85 HydrophobicContact CG2-CD 3.99Å
26P93.1Very high96.5Very high108 Ų10850 Ų5070%0.70127%0.271SS*.THydrogen-bonded Turntrans-59.9-19172.6-2535.3000114.3
27L92.5Very high96.7Very high136 Ų13647.2 Ų47.271%0.71226%0.259SS*.THydrogen-bonded Turntrans-91-10.6-179-59.1176.6000113.2T25 T29T25-L27 PolarHBondContact O-N 3.35Å; T25-L27 VanDerWaalsContact O-N 3.1Å; T25-L27 PolarHBondContact OG1-N 3.31Å; L27-T29 PolarHBondContact O-N 3.38Å
28T95.3Very high96.8Very high4 Ų447.3 Ų47.33%0.02527%0.267CS..  trans-72.4118.3-179.1-52.40000109.6L24 T25 K32 L33 I82 D83L24-T28 HydrophobicContact CD1-CG2 4.49Å; L24-T28 HydrophobicContact CD2-CG2 4.24Å; T25-T28 PolarHBondContact N-OG1 2.91Å; T25-T28 PolarHBondContact O-N 2.85Å; T25-T28 VanDerWaalsContact O-N 3.14Å; T25-T28 PolarHBondContact O-OG1 3.04Å; T25-T28 PolarHBondContact OG1-N 3.21Å; T25-T28 PolarHBondContact OG1-OG1 3.3Å; T28-K32 HydrophobicContact CG2-CB 4.49Å; T28-L33 HydrophobicContact CG2-CD2 3.83Å; T28-L33 HydrophobicContact CG2-CG 3.9Å; T28-I82 HydrophobicContact CG2-CG2 3.91Å; T28-D83 VanDerWaalsContact CA-OD2 3.3Å; T28-D83 WeakPolarHBondContact CA-OD2 3.32Å; T28-D83 VanDerWaalsContact CB-OD2 3.31Å; T28-D83 WeakPolarHBondContact CB-OD2 3.11Å; T28-D83 PolarHBondContact OG1-OD2 2.92Å
29T96.1Very high96.9Very high60 Ų6051.2 Ų51.237%0.36829%0.286SS..  trans-98.7165.1179.662.90000111.7L27 A31 K32 L33L27-T29 PolarHBondContact O-N 3.38Å; T29-A31 PolarHBondContact O-N 3.25Å; T29-K32 PolarHBondContact O-N 2.8Å; T29-K32 PolarHBondContact OG1-N 3.37Å; T29-L33 PolarHBondContact O-N 2.9Å
30E97.4Very high96.9Very high56 Ų5653.1 Ų53.126%0.26229%0.293SS..Hα-helixtrans-55.7-38.3173-63.583.6173.700111.6L33 K34 V46 V48 K50E30-L33 PolarHBondContact O-N 3.5Å; E30-K34 WeakPolarHBondContact O-CB 3.31Å; E30-K34 PolarHBondContact O-N 2.88Å; E30-V46 HydrophobicContact CB-CG1 4.17Å; E30-V46 HydrophobicContact CB-CG2 4.19Å; E30-V46 WeakPolarHBondContact O-CG2 3.23Å; E30-V48 HydrophobicContact CG-CB 4.22Å; E30-V48 HydrophobicContact CG-CG2 4.03Å; E30-K50 IonicContact OE1-NZ 2.72Å; E30-K50 PolarHBondContact OE1-NZ 2.88Å; E30-K50 IonicContact OE2-NZ 3.22Å; E30-K50 PolarHBondContact OE2-NZ 3.46Å
31A97.4Very high96.9Very high70 Ų7051.7 Ų51.758%0.57929%0.292SS*.Hα-helixtrans-64.2-44.3177.800000112.3T29 K34 D35T29-A31 PolarHBondContact O-N 3.25Å; A31-K34 PolarHBondContact O-N 3.1Å; A31-D35 WeakPolarHBondContact O-CB 3.32Å; A31-D35 PolarHBondContact O-N 2.99Å
32K96.7Very high96.9Very high88 Ų8856.7 Ų56.738%0.38332%0.315SS..Hα-helixtrans-65.1-41.8176.9-73.2-177.5172.8-174.10112.2T28 T29 D35 F36 D83T28-K32 HydrophobicContact CG2-CB 4.49Å; T29-K32 PolarHBondContact O-N 2.8Å; T29-K32 PolarHBondContact OG1-N 3.37Å; K32-D35 PolarHBondContact O-N 3.27Å; K32-F36 WeakPolarHBondContact O-CB 3.4Å; K32-F36 PolarHBondContact O-N 3.11Å; K32-D83 WeakPolarHBondContact CD-OD1 3.22Å; K32-D83 WeakPolarHBondContact CE-OD1 3.42Å; K32-D83 IonicContact NZ-OD1 2.69Å; K32-D83 PolarHBondContact NZ-OD1 3.47Å; K32-D83 IonicContact NZ-OD2 3.77Å
33L97.3Very high96.9Very high0 Ų056.8 Ų56.80%031%0.314CS..Hα-helixtrans-61.2-46.2174.3-75.9-174.6000111.5L24 T28 T29 E30 Y37 V46 V48 I63 I82L24-L33 HydrophobicContact CD1-CD1 3.8Å; L24-L33 HydrophobicContact CD1-CD2 4.21Å; L24-L33 HydrophobicContact CD1-CG 4.42Å; L24-L33 HydrophobicContact CD2-CD2 3.75Å; T28-L33 HydrophobicContact CG2-CD2 3.83Å; T28-L33 HydrophobicContact CG2-CG 3.9Å; T29-L33 PolarHBondContact O-N 2.9Å; E30-L33 PolarHBondContact O-N 3.5Å; L33-Y37 HydrophobicContact CD2-CD2 4.42Å; L33-Y37 HydrophobicContact CD2-CE2 4.18Å; L33-Y37 WeakPolarHBondContact O-CB 3.34Å; L33-Y37 WeakPolarHBondContact O-CD2 3.37Å; L33-Y37 PolarHBondContact O-N 3.23Å; L33-V46 HydrophobicContact CB-CG2 3.81Å; L33-V46 HydrophobicContact CD1-CG2 4.21Å; L33-V48 HydrophobicContact CD1-CG2 3.54Å; L33-V48 HydrophobicContact CG-CG2 4.32Å; L33-I63 HydrophobicContact CB-CG2 4.48Å; L33-I82 HydrophobicContact CD2-CD1 3.73Å
34K98.1Very high97Very high98 Ų9858.9 Ų58.943%0.42632%0.32SS..Hα-helixtrans-60.3-49.4178.8-172.2172.4-177.3175.60110.8E30 A31 S38 I43 V46E30-K34 WeakPolarHBondContact O-CB 3.31Å; E30-K34 PolarHBondContact O-N 2.88Å; A31-K34 PolarHBondContact O-N 3.1Å; K34-S38 VanDerWaalsContact O-CB 3.22Å; K34-S38 WeakPolarHBondContact O-CB 3.48Å; K34-S38 PolarHBondContact O-N 2.95Å; K34-S38 PolarHBondContact O-OG 2.96Å; K34-I43 HydrophobicContact CG-CB 4.08Å; K34-I43 HydrophobicContact CG-CG1 4.43Å; K34-I43 HydrophobicContact CG-CG2 4.16Å; K34-V46 HydrophobicContact CB-CG1 4.18Å; K34-V46 HydrophobicContact CD-CG1 4.4Å
35D97.7Very high97Very high131 Ų13162.1 Ų62.170%0.70134%0.338SS*.Hα-helixtrans-56.8-53.4179.2-174.160.4000111.4A31 K32 Y37 S38A31-D35 WeakPolarHBondContact O-CB 3.32Å; A31-D35 PolarHBondContact O-N 2.99Å; K32-D35 PolarHBondContact O-N 3.27Å; D35-Y37 PolarHBondContact O-N 3.27Å; D35-S38 PolarHBondContact O-N 2.67Å
36F98.1Very high97Very high47 Ų4762.6 Ų62.621%0.20634%0.341CS..Hα-helixtrans-60.3-49.6-179.6-178.2-92.8000112.9K32 S38 Q39 W40 H80 E81 I82K32-F36 WeakPolarHBondContact O-CB 3.4Å; K32-F36 PolarHBondContact O-N 3.11Å; F36-S38 VanDerWaalsContact C-N 3.31Å; F36-S38 PolarHBondContact O-N 2.81Å; F36-Q39 VanDerWaalsContact O-CG 3.22Å; F36-Q39 WeakPolarHBondContact O-CG 3.37Å; F36-Q39 PolarHBondContact O-NE2 2.88Å; F36-W40 HydrophobicContact CD1-CH2 4.41Å; F36-W40 HydrophobicContact CD1-CZ3 4.12Å; F36-W40 AromaticContact CE1-CH2 3.58Å; F36-W40 HydrophobicContact CE1-CH2 3.58Å; F36-W40 AromaticContact CE1-CZ3 3.67Å; F36-W40 HydrophobicContact CE1-CZ3 3.67Å; F36-W40 AromaticContact CZ-CH2 3.9Å; F36-W40 HydrophobicContact CZ-CH2 3.9Å; F36-W40 HydrophobicContact CZ-CZ3 4.42Å; F36-H80 HydrophobicContact CE1-CB 3.75Å; F36-H80 AromaticContact CE1-CG 3.9Å; F36-H80 HydrophobicContact CZ-CB 3.87Å; F36-E81 WeakPolarHBondContact CE2-O 3.31Å; F36-I82 HydrophobicContact CB-CD1 4.34Å; F36-I82 HydrophobicContact CB-CG1 4.47Å; F36-I82 HydrophobicContact CD1-CD1 3.53Å; F36-I82 HydrophobicContact CD1-CG1 3.72Å; F36-I82 HydrophobicContact CD2-CG1 4.05Å; F36-I82 HydrophobicContact CE1-CD1 3.96Å; F36-I82 HydrophobicContact CE1-CG1 3.89Å; F36-I82 HydrophobicContact CE2-CG1 4.2Å; F36-I82 HydrophobicContact CG-CD1 3.92Å; F36-I82 HydrophobicContact CG-CG1 3.8Å; F36-I82 HydrophobicContact CZ-CG1 4.12Å
37Y98.3Very high97.2Very high0 Ų059.8 Ų59.80%032%0.321CS..Hα-helixtrans-78.8-14.1-176.1-80.8-82.3000113.8L19 I21 L33 D35 Q39 W40 I63 Y65 H80 I82L19-Y37 HydrophobicContact CD1-CE1 4.24Å; I21-Y37 HydrophobicContact CD1-CE1 3.89Å; I21-Y37 HydrophobicContact CD1-CE2 3.86Å; I21-Y37 WeakPolarHBondContact CD1-OH 3.43Å; I21-Y37 HydrophobicContact CG1-CE2 3.76Å; I21-Y37 HydrophobicContact CG2-CE2 4.08Å; I21-Y37 WeakPolarHBondContact CG2-OH 3.26Å; L33-Y37 HydrophobicContact CD2-CD2 4.42Å; L33-Y37 HydrophobicContact CD2-CE2 4.18Å; L33-Y37 WeakPolarHBondContact O-CB 3.34Å; L33-Y37 WeakPolarHBondContact O-CD2 3.37Å; L33-Y37 PolarHBondContact O-N 3.23Å; D35-Y37 PolarHBondContact O-N 3.27Å; Y37-Q39 PolarHBondContact O-N 3.33Å; Y37-Q39 VanDerWaalsContact O-N 3.15Å; Y37-W40 AromaticContact CD1-CE3 3.83Å; Y37-W40 HydrophobicContact CD1-CE3 3.83Å; Y37-W40 AromaticContact CD1-CZ3 3.57Å; Y37-W40 HydrophobicContact CD1-CZ3 3.57Å; Y37-W40 HydrophobicContact CE1-CE3 4.46Å; Y37-W40 AromaticContact CE1-CZ3 3.9Å; Y37-W40 HydrophobicContact CE1-CZ3 3.9Å; Y37-W40 HydrophobicContact CG-CZ3 4.29Å; Y37-W40 PolarHBondContact O-N 2.89Å; Y37-I63 HydrophobicContact CD1-CD1 3.5Å; Y37-I63 VanDerWaalsContact CD1-CD1 3.5Å; Y37-I63 HydrophobicContact CD2-CD1 4.15Å; Y37-I63 HydrophobicContact CD2-CG2 4.38Å; Y37-I63 HydrophobicContact CE1-CD1 4.22Å; Y37-I63 HydrophobicContact CG-CD1 3.46Å; Y37-I63 VanDerWaalsContact CG-CD1 3.46Å; Y37-I63 HydrophobicContact CG-CG1 4.43Å; Y37-Y65 WeakPolarHBondContact CD1-OH 3.37Å; Y37-Y65 WeakPolarHBondContact O-CE1 3.36Å; Y37-Y65 PolarHBondContact O-OH 3.39Å; Y37-H80 AromaticContact CE1-CE1 3.65Å; Y37-H80 AromaticContact CE1-ND1 3.33Å; Y37-H80 VanDerWaalsContact CE1-ND1 3.33Å; Y37-H80 WeakPolarHBondContact CE1-ND1 3.43Å; Y37-H80 AromaticContact CZ-ND1 3.54Å; Y37-H80 PolarHBondContact OH-ND1 3.05Å; Y37-H80 VanDerWaalsContact OH-ND1 3.17Å; Y37-I82 HydrophobicContact CD2-CD1 4.29Å; Y37-I82 HydrophobicContact CE2-CD1 3.6Å
38S98Very high97.5Very high51 Ų5153.5 Ų53.536%0.35729%0.289SS..G310 helixtrans-64.3-16.1175.9-67.40000113K34 D35 F36 W40 G41K34-S38 VanDerWaalsContact O-CB 3.22Å; K34-S38 WeakPolarHBondContact O-CB 3.48Å; K34-S38 PolarHBondContact O-N 2.95Å; K34-S38 PolarHBondContact O-OG 2.96Å; D35-S38 PolarHBondContact O-N 2.67Å; F36-S38 VanDerWaalsContact C-N 3.31Å; F36-S38 PolarHBondContact O-N 2.81Å; S38-W40 PolarHBondContact O-N 2.61Å; S38-G41 WeakPolarHBondContact CA-O 3.24Å; S38-G41 PolarHBondContact O-N 2.88Å
39Q98Very high97.5Very high118 Ų11856 Ų5655%0.55130%0.301SS*.G310 helixtrans-62.3-21.9177.275.3-172-55.600114.1F36 Y37F36-Q39 VanDerWaalsContact O-CG 3.22Å; F36-Q39 WeakPolarHBondContact O-CG 3.37Å; F36-Q39 PolarHBondContact O-NE2 2.88Å; Y37-Q39 PolarHBondContact O-N 3.33Å; Y37-Q39 VanDerWaalsContact O-N 3.15Å
40W98.2Very high97.5Very high39 Ų3957.3 Ų57.315%0.14830%0.301CS..G310 helixtrans-108.71179.1-57.4-66.7000114F36 Y37 S38 M70 A73 A74 N77 H80F36-W40 HydrophobicContact CD1-CH2 4.41Å; F36-W40 HydrophobicContact CD1-CZ3 4.12Å; F36-W40 AromaticContact CE1-CH2 3.58Å; F36-W40 HydrophobicContact CE1-CH2 3.58Å; F36-W40 AromaticContact CE1-CZ3 3.67Å; F36-W40 HydrophobicContact CE1-CZ3 3.67Å; F36-W40 AromaticContact CZ-CH2 3.9Å; F36-W40 HydrophobicContact CZ-CH2 3.9Å; F36-W40 HydrophobicContact CZ-CZ3 4.42Å; Y37-W40 AromaticContact CD1-CE3 3.83Å; Y37-W40 HydrophobicContact CD1-CE3 3.83Å; Y37-W40 AromaticContact CD1-CZ3 3.57Å; Y37-W40 HydrophobicContact CD1-CZ3 3.57Å; Y37-W40 HydrophobicContact CE1-CE3 4.46Å; Y37-W40 AromaticContact CE1-CZ3 3.9Å; Y37-W40 HydrophobicContact CE1-CZ3 3.9Å; Y37-W40 HydrophobicContact CG-CZ3 4.29Å; Y37-W40 PolarHBondContact O-N 2.89Å; S38-W40 PolarHBondContact O-N 2.61Å; W40-M70 WeakPolarHBondContact O-CB 3.1Å; W40-A73 HydrophobicContact CB-CB 4.12Å; W40-A74 HydrophobicContact CB-CB 4.17Å; W40-A74 HydrophobicContact CD2-CB 3.92Å; W40-A74 HydrophobicContact CE3-CB 3.71Å; W40-A74 HydrophobicContact CG-CB 4.15Å; W40-A74 HydrophobicContact CZ3-CB 4.39Å; W40-N77 HydrophobicContact CZ2-CB 3.63Å; W40-N77 VanDerWaalsContact NE1-CB 3.33Å; W40-N77 PolarHBondContact NE1-ND2 3.23Å; W40-H80 AromaticContact CH2-CD2 3.44Å; W40-H80 VanDerWaalsContact CH2-CD2 3.44Å; W40-H80 WeakPolarHBondContact CH2-CD2 3.22Å; W40-H80 AromaticContact CH2-CE1 3.55Å; W40-H80 AromaticContact CH2-CG 3.86Å; W40-H80 AromaticContact CH2-ND1 3.9Å; W40-H80 AromaticContact CH2-NE2 3.26Å; W40-H80 VanDerWaalsContact CH2-NE2 3.26Å; W40-H80 WeakPolarHBondContact CH2-NE2 3.47Å; W40-H80 AromaticContact CZ2-CD2 3.99Å; W40-H80 AromaticContact CZ2-NE2 3.68Å; W40-H80 AromaticContact CZ3-CE1 3.62Å; W40-H80 AromaticContact CZ3-ND1 3.97Å; W40-H80 AromaticContact CZ3-NE2 3.81Å
41G97.3Very high97.3Very high17 Ų1757.7 Ų57.718%0.17531%0.305CS..SBendtrans157.7169.8179.800000114.6S38 I43 M70S38-G41 WeakPolarHBondContact CA-O 3.24Å; S38-G41 PolarHBondContact O-N 2.88Å; G41-I43 PolarHBondContact O-N 3.11Å; G41-M70 VanDerWaalsContact CA-SD 3.55Å
42E98Very high97Very high105 Ų10558 Ų5849%0.49132%0.315SS..  trans-70.8124178.6-171.8-174.6149.800110.8Y65 K66 M70E42-Y65 CarbonylContact O-C 3.56Å; E42-Y65 WeakPolarHBondContact O-CA 3.41Å; E42-K66 HydrophobicContact CB-CB 4.02Å; E42-K66 HydrophobicContact CB-CD 4.21Å; E42-K66 VanDerWaalsContact CD-CD 3.49Å; E42-K66 HydrophobicContact CG-CD 4.33Å; E42-K66 PolarHBondContact O-N 3.24Å; E42-K66 IonicContact OE1-NZ 3.45Å; E42-K66 WeakPolarHBondContact OE2-CD 3.07Å; E42-K66 IonicContact OE2-NZ 3.32Å; E42-K66 PolarHBondContact OE2-NZ 3.43Å; E42-M70 HydrophobicContact CB-CE 4.45Å; E42-M70 PolarHBondContact N-SD 3.02Å; E42-M70 VanDerWaalsContact N-SD 3.4Å
43I98.1Very high96.9Very high7 Ų765.1 Ų65.14%0.03634%0.34CS..EExtended strand (participates in β ladder)trans-91.2118.5176.5-57.6-68000110.1K34 G41 D45 V46 I63 Y65K34-I43 HydrophobicContact CG-CB 4.08Å; K34-I43 HydrophobicContact CG-CG1 4.43Å; K34-I43 HydrophobicContact CG-CG2 4.16Å; G41-I43 PolarHBondContact O-N 3.11Å; I43-D45 VanDerWaalsContact CG2-O 3.23Å; I43-D45 WeakPolarHBondContact CG2-O 3.39Å; I43-V46 HydrophobicContact CG2-CB 4.3Å; I43-I63 HydrophobicContact CD1-CB 4.22Å; I43-I63 HydrophobicContact CD1-CD1 3.6Å; I43-Y65 HydrophobicContact CD1-CD1 3.48Å; I43-Y65 VanDerWaalsContact CD1-CD1 3.48Å; I43-Y65 HydrophobicContact CD1-CE1 3.26Å; I43-Y65 HydrophobicContact CD1-CE2 4.36Å; I43-Y65 HydrophobicContact CD1-CG 4.11Å; I43-Y65 HydrophobicContact CG1-CD1 4.44Å; I43-Y65 HydrophobicContact CG1-CE1 4.22Å
44V97.2Very high96.7Very high75 Ų7568.5 Ų68.546%0.45536%0.361SS..EExtended strand (participates in β ladder)trans-92.5-25.2178.7-59.80000113.1T64 K66V44-T64 HydrophobicContact CG2-CG2 3.7Å; V44-T64 WeakPolarHBondContact CG2-O 3.45Å; V44-T64 PolarHBondContact N-O 3.13Å; V44-K66 HydrophobicContact CG1-CB 3.88Å; V44-K66 HydrophobicContact CG1-CG 4.32Å
45D97.3Very high96.3Very high74 Ų7469.8 Ų69.840%0.39637%0.372SS..EExtended strand (participates in β ladder)trans-148.2146.1176.6-176.234.5000111I43 I63 T64I43-D45 VanDerWaalsContact CG2-O 3.23Å; I43-D45 WeakPolarHBondContact CG2-O 3.39Å; D45-I63 CarbonylContact O-C 3.57Å; D45-I63 WeakPolarHBondContact O-CA 3.4Å; D45-T64 PolarHBondContact N-O 2.69Å; D45-T64 PolarHBondContact O-N 2.98Å
46V97.9Very high96.1Very high31 Ų3172.2 Ų72.219%0.18837%0.372CS..EExtended strand (participates in β ladder)trans-148.8133.8177.256.90000109.8E30 L33 K34 I43 F62 I63E30-V46 HydrophobicContact CB-CG1 4.17Å; E30-V46 HydrophobicContact CB-CG2 4.19Å; E30-V46 WeakPolarHBondContact O-CG2 3.23Å; L33-V46 HydrophobicContact CB-CG2 3.81Å; L33-V46 HydrophobicContact CD1-CG2 4.21Å; K34-V46 HydrophobicContact CB-CG1 4.18Å; K34-V46 HydrophobicContact CD-CG1 4.4Å; I43-V46 HydrophobicContact CG2-CB 4.3Å; V46-F62 WeakPolarHBondContact CA-O 3.04Å; V46-I63 HydrophobicContact CB-CG2 4.32Å; V46-I63 HydrophobicContact CG2-CG2 3.92Å
47V97.3Very high95.9Very high48 Ų4871.1 Ų71.129%0.29137%0.37SS..EExtended strand (participates in β ladder)trans-143131.3177.359.50000110.8M49 G61 F62V47-M49 HydrophobicContact CG1-SD 4.36Å; V47-M49 HydrophobicContact CG2-SD 3.93Å; V47-G61 CarbonylContact O-C 3.48Å; V47-G61 WeakPolarHBondContact O-CA 3.26Å; V47-F62 HydrophobicContact CG1-CB 3.89Å; V47-F62 HydrophobicContact CG1-CD2 4.12Å; V47-F62 PolarHBondContact N-O 3.24Å; V47-F62 PolarHBondContact O-N 3.43Å
48V97.4Very high95.7Very high5 Ų578.1 Ų78.13%0.0340%0.396CS..EExtended strand (participates in β ladder)trans-98.9122.6167175.50000107.7L24 E30 L33 K50L24-V48 HydrophobicContact CD1-CG2 4.42Å; E30-V48 HydrophobicContact CG-CB 4.22Å; E30-V48 HydrophobicContact CG-CG2 4.03Å; L33-V48 HydrophobicContact CD1-CG2 3.54Å; L33-V48 HydrophobicContact CG-CG2 4.32Å; V48-K50 PolarHBondContact O-N 2.87Å
49M96.3Very high95.6Very high56 Ų5676.6 Ų76.628%0.27639%0.388SS..EExtended strand (participates in β ladder)trans-75.2125.3-177.4-61-56.5-62.800109.5V47 R58 F60 F62V47-M49 HydrophobicContact CG1-SD 4.36Å; V47-M49 HydrophobicContact CG2-SD 3.93Å; M49-R58 HydrophobicContact CB-CB 4.37Å; M49-R58 WeakPolarHBondContact O-CB 3.47Å; M49-R58 PolarHBondContact O-N 2.85Å; M49-F60 HydrophobicContact CB-CD1 4.3Å; M49-F60 HydrophobicContact CB-CD2 4.12Å; M49-F60 HydrophobicContact CB-CE1 3.93Å; M49-F60 HydrophobicContact CB-CE2 3.79Å; M49-F60 HydrophobicContact CB-CG 4.39Å; M49-F60 HydrophobicContact CB-CZ 3.66Å; M49-F60 WeakPolarHBondContact CB-O 3.47Å; M49-F60 HydrophobicContact CG-CD2 3.74Å; M49-F60 HydrophobicContact CG-CE1 4.42Å; M49-F60 HydrophobicContact CG-CE2 3.34Å; M49-F60 HydrophobicContact CG-CG 4.47Å; M49-F60 HydrophobicContact CG-CZ 3.71Å; M49-F60 PolarHBondContact N-O 3.07Å; M49-F62 HydrophobicContact CG-CD2 4.31Å; M49-F62 HydrophobicContact CG-CE2 4.14Å; M49-F62 HydrophobicContact SD-CD2 4.37Å; M49-F62 HydrophobicContact SD-CE2 4.38Å
50K95.4Very high95.6Very high87 Ų8772.9 Ų72.938%0.37837%0.37SS..EExtended strand (participates in β ladder)trans-118.2152.3-178.3-68.9162.8179.8153.60110.6E30 V48 R56E30-K50 IonicContact OE1-NZ 2.72Å; E30-K50 PolarHBondContact OE1-NZ 2.88Å; E30-K50 IonicContact OE2-NZ 3.22Å; E30-K50 PolarHBondContact OE2-NZ 3.46Å; V48-K50 PolarHBondContact O-N 2.87Å; K50-R56 CarbonylContact C-O 3.47Å; K50-R56 VanDerWaalsContact CA-O 3.27Å; K50-R56 WeakPolarHBondContact CA-O 3.38Å
51D92.4Very high95.5Very high64 Ų6471 Ų7134%0.34236%0.363SS..  trans-67.6127.8171.4-177.4-83.1000109.3R53 T54 N55 R56D51-R53 PolarHBondContact O-N 3.17Å; D51-R53 WeakPolarHBondContact OD1-CA 3.5Å; D51-R53 WeakPolarHBondContact OD1-CB 3.41Å; D51-R53 PolarHBondContact OD1-N 3.21Å; D51-T54 PolarHBondContact OD1-N 3.4Å; D51-N55 WeakPolarHBondContact O-CA 3.25Å; D51-N55 PolarHBondContact O-N 3.48Å; D51-R56 PolarHBondContact N-O 2.99Å
52G92.5Very high95.5Very high77 Ų7772.5 Ų72.579%0.79437%0.365SS*.THydrogen-bonded Turntrans-68.5-18.3-174.600000114.7
53R93.4Very high95.5Very high238 Ų23867.5 Ų67.590%0.89834%0.342SS*.THydrogen-bonded Turntrans-94.5-44.5178.5-62.3179.8179.5171.1-0.5111.4D51D51-R53 PolarHBondContact O-N 3.17Å; D51-R53 WeakPolarHBondContact OD1-CA 3.5Å; D51-R53 WeakPolarHBondContact OD1-CB 3.41Å; D51-R53 PolarHBondContact OD1-N 3.21Å
54T93.3Very high95.5Very high71 Ų7167.2 Ų67.244%0.43634%0.341SS..THydrogen-bonded Turntrans-100.2-6.1-173.677.90000113.9D51 R56D51-T54 PolarHBondContact OD1-N 3.4Å; T54-R56 PolarHBondContact O-N 2.92Å; T54-R56 WeakPolarHBondContact OG1-CB 3.36Å; T54-R56 WeakPolarHBondContact OG1-CG 3.29Å; T54-R56 PolarHBondContact OG1-N 3.03Å; T54-R56 PolarHBondContact OG1-NE 2.91Å
55N90.9Very high95.6Very high125 Ų12563.7 Ų63.767%0.66832%0.319SS*.  trans52.717.3-170.4-79.5-53.4000114.6D51D51-N55 WeakPolarHBondContact O-CA 3.25Å; D51-N55 PolarHBondContact O-N 3.48Å
56R92.1Very high95.5Very high182 Ų18264.2 Ų64.269%0.68732%0.318SS*.  trans-82.2141.8179-69.9-167.2-68-179.3-1.7109.4K50 D51 T54 R58K50-R56 CarbonylContact C-O 3.47Å; K50-R56 VanDerWaalsContact CA-O 3.27Å; K50-R56 WeakPolarHBondContact CA-O 3.38Å; D51-R56 PolarHBondContact N-O 2.99Å; T54-R56 PolarHBondContact O-N 2.92Å; T54-R56 WeakPolarHBondContact OG1-CB 3.36Å; T54-R56 WeakPolarHBondContact OG1-CG 3.29Å; T54-R56 PolarHBondContact OG1-N 3.03Å; T54-R56 PolarHBondContact OG1-NE 2.91Å; R56-R58 PolarHBondContact O-N 3.35Å
57S93.8Very high95.4Very high24 Ų2467 Ų6717%0.16833%0.329CS..EExtended strand (participates in β ladder)trans-56.5136.7174.5176.90000110.8G59S57-G59 PolarHBondContact O-N 2.73Å; S57-G59 PolarHBondContact OG-N 2.85Å; S57-G59 VanDerWaalsContact OG-N 3.11Å
58R95.2Very high95.3Very high146 Ų14666 Ų6655%0.55132%0.324SS*.EExtended strand (participates in β ladder)trans-82.74.7172.8-64174.660.4-170-3.9112M49 R56 F60M49-R58 HydrophobicContact CB-CB 4.37Å; M49-R58 WeakPolarHBondContact O-CB 3.47Å; M49-R58 PolarHBondContact O-N 2.85Å; R56-R58 PolarHBondContact O-N 3.35Å; R58-F60 VanDerWaalsContact C-N 3.31Å; R58-F60 HydrophobicContact CB-CD1 3.79Å; R58-F60 HydrophobicContact CB-CE1 3.57Å; R58-F60 HydrophobicContact CG-CE1 4.49Å; R58-F60 WeakPolarHBondContact O-CD1 3.47Å; R58-F60 PolarHBondContact O-N 3.37Å
59G96Very high95.2Very high19 Ų1971.6 Ų71.620%0.19635%0.349CS..EExtended strand (participates in β ladder)trans75.517.1178.200000114.1G23 L24 S57G23-G59 CarbonylContact C-O 3.59Å; G23-G59 PolarHBondContact N-O 3.5Å; L24-G59 PolarHBondContact N-O 3.38Å; S57-G59 PolarHBondContact O-N 2.73Å; S57-G59 PolarHBondContact OG-N 2.85Å; S57-G59 VanDerWaalsContact OG-N 3.11Å
60F96.8Very high95.3Very high40 Ų4070.7 Ų70.718%0.17535%0.345CS..EExtended strand (participates in β ladder)trans-149162173.374-82.6000112.1F20 I21 M49 R58 F62F20-F60 HydrophobicContact CD2-CD2 4.08Å; F20-F60 HydrophobicContact CE2-CB 3.8Å; F20-F60 AromaticContact CE2-CD2 3.44Å; F20-F60 HydrophobicContact CE2-CD2 3.44Å; F20-F60 VanDerWaalsContact CE2-CD2 3.44Å; F20-F60 HydrophobicContact CE2-CE2 4.2Å; F20-F60 AromaticContact CE2-CG 3.86Å; F20-F60 HydrophobicContact CE2-CG 3.86Å; F20-F60 HydrophobicContact CZ-CB 3.95Å; F20-F60 HydrophobicContact CZ-CD2 4.37Å; F20-F60 HydrophobicContact CZ-CG 4.37Å; I21-F60 CarbonylContact O-C 3.51Å; I21-F60 WeakPolarHBondContact O-CA 3.44Å; I21-F60 WeakPolarHBondContact O-CB 3.35Å; M49-F60 HydrophobicContact CB-CD1 4.3Å; M49-F60 HydrophobicContact CB-CD2 4.12Å; M49-F60 HydrophobicContact CB-CE1 3.93Å; M49-F60 HydrophobicContact CB-CE2 3.79Å; M49-F60 HydrophobicContact CB-CG 4.39Å; M49-F60 HydrophobicContact CB-CZ 3.66Å; M49-F60 WeakPolarHBondContact CB-O 3.47Å; M49-F60 HydrophobicContact CG-CD2 3.74Å; M49-F60 HydrophobicContact CG-CE1 4.42Å; M49-F60 HydrophobicContact CG-CE2 3.34Å; M49-F60 HydrophobicContact CG-CG 4.47Å; M49-F60 HydrophobicContact CG-CZ 3.71Å; M49-F60 PolarHBondContact N-O 3.07Å; R58-F60 VanDerWaalsContact C-N 3.31Å; R58-F60 HydrophobicContact CB-CD1 3.79Å; R58-F60 HydrophobicContact CB-CE1 3.57Å; R58-F60 HydrophobicContact CG-CE1 4.49Å; R58-F60 WeakPolarHBondContact O-CD1 3.47Å; R58-F60 PolarHBondContact O-N 3.37Å; F60-F62 HydrophobicContact CD2-CE2 4.12Å; F60-F62 AromaticContact CE2-CE2 3.87Å; F60-F62 HydrophobicContact CE2-CE2 3.87Å; F60-F62 HydrophobicContact CE2-CZ 4.31Å
61G97.2Very high95.4Very high0 Ų066.6 Ų66.60%033%0.327CS..EExtended strand (participates in β ladder)trans-153.3-177.8178.900000112.1I21 V47I21-G61 PolarHBondContact N-O 3.46Å; I21-G61 PolarHBondContact O-N 2.69Å; V47-G61 CarbonylContact O-C 3.48Å; V47-G61 WeakPolarHBondContact O-CA 3.26Å
62F97.9Very high95.7Very high48 Ų4866 Ų6621%0.21132%0.324CS..EExtended strand (participates in β ladder)trans-131.6147.8172.2-60.5-91.6000109.7K18 L19 F20 V46 V47 M49 F60 A92K18-F62 HydrophobicContact CD-CD1 4.49Å; K18-F62 HydrophobicContact CG-CD1 4.46Å; L19-F62 VanDerWaalsContact O-CA 3.24Å; L19-F62 WeakPolarHBondContact O-CA 3.42Å; F20-F62 HydrophobicContact CB-CD1 4.14Å; F20-F62 HydrophobicContact CB-CE1 3.88Å; F20-F62 HydrophobicContact CD2-CD1 4.47Å; F20-F62 AromaticContact CD2-CE1 3.77Å; F20-F62 HydrophobicContact CD2-CE1 3.77Å; F20-F62 AromaticContact CD2-CZ 3.85Å; F20-F62 HydrophobicContact CD2-CZ 3.85Å; F20-F62 HydrophobicContact CG-CE1 4.34Å; V46-F62 WeakPolarHBondContact CA-O 3.04Å; V47-F62 HydrophobicContact CG1-CB 3.89Å; V47-F62 HydrophobicContact CG1-CD2 4.12Å; V47-F62 PolarHBondContact N-O 3.24Å; V47-F62 PolarHBondContact O-N 3.43Å; M49-F62 HydrophobicContact CG-CD2 4.31Å; M49-F62 HydrophobicContact CG-CE2 4.14Å; M49-F62 HydrophobicContact SD-CD2 4.37Å; M49-F62 HydrophobicContact SD-CE2 4.38Å; F60-F62 HydrophobicContact CD2-CE2 4.12Å; F60-F62 AromaticContact CE2-CE2 3.87Å; F60-F62 HydrophobicContact CE2-CE2 3.87Å; F60-F62 HydrophobicContact CE2-CZ 4.31Å; F62-A92 HydrophobicContact CD1-CB 4.12Å; F62-A92 HydrophobicContact CE1-CB 4.18Å
63I98.2Very high95.9Very high0 Ų064 Ų640%030%0.3CS..EExtended strand (participates in β ladder)trans-125.5149.816560.9149.6000109K18 L19 I21 L33 Y37 I43 D45 V46 Y65K18-I63 CarbonylContact C-O 3.49Å; K18-I63 VanDerWaalsContact CA-O 3.31Å; K18-I63 WeakPolarHBondContact CA-O 3.38Å; K18-I63 WeakPolarHBondContact CG-O 3.11Å; L19-I63 HydrophobicContact CB-CD1 4.33Å; L19-I63 HydrophobicContact CB-CG1 3.8Å; L19-I63 HydrophobicContact CD1-CD1 4.12Å; L19-I63 HydrophobicContact CD1-CG1 4.49Å; L19-I63 PolarHBondContact N-O 2.76Å; L19-I63 PolarHBondContact O-N 2.8Å; I21-I63 HydrophobicContact CD1-CG1 4.29Å; I21-I63 HydrophobicContact CG1-CG1 4.48Å; L33-I63 HydrophobicContact CB-CG2 4.48Å; Y37-I63 HydrophobicContact CD1-CD1 3.5Å; Y37-I63 VanDerWaalsContact CD1-CD1 3.5Å; Y37-I63 HydrophobicContact CD2-CD1 4.15Å; Y37-I63 HydrophobicContact CD2-CG2 4.38Å; Y37-I63 HydrophobicContact CE1-CD1 4.22Å; Y37-I63 HydrophobicContact CG-CD1 3.46Å; Y37-I63 VanDerWaalsContact CG-CD1 3.46Å; Y37-I63 HydrophobicContact CG-CG1 4.43Å; I43-I63 HydrophobicContact CD1-CB 4.22Å; I43-I63 HydrophobicContact CD1-CD1 3.6Å; D45-I63 CarbonylContact O-C 3.57Å; D45-I63 WeakPolarHBondContact O-CA 3.4Å; V46-I63 HydrophobicContact CB-CG2 4.32Å; V46-I63 HydrophobicContact CG2-CG2 3.92Å; I63-Y65 HydrophobicContact CD1-CD2 4.12Å; I63-Y65 HydrophobicContact CD1-CE2 3.53Å
64T97.9Very high96.2Very high2 Ų252.7 Ų52.71%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-124.2119.8173.5-51.70000107.9E14 R17 V44 D45E14-T64 HydrophobicContact CG-CG2 3.63Å; R17-T64 HydrophobicContact CB-CG2 4.26Å; R17-T64 WeakPolarHBondContact O-CA 3.48Å; V44-T64 HydrophobicContact CG2-CG2 3.7Å; V44-T64 WeakPolarHBondContact CG2-O 3.45Å; V44-T64 PolarHBondContact N-O 3.13Å; D45-T64 PolarHBondContact N-O 2.69Å; D45-T64 PolarHBondContact O-N 2.98Å
65Y98.3Very high96.4Very high0 Ų049.4 Ų49.40%024%0.237CC..EExtended strand (participates in β ladder)trans-77.4163171.9-78.6-70.6000111.8R17 L19 Y37 E42 I43 I63 E67 M70 V71 A74R17-Y65 WeakPolarHBondContact CB-O 3.3Å; R17-Y65 PolarHBondContact NH1-O 3.35Å; R17-Y65 PolarHBondContact O-N 3.44Å; L19-Y65 HydrophobicContact CD1-CE2 3.94Å; Y37-Y65 WeakPolarHBondContact CD1-OH 3.37Å; Y37-Y65 WeakPolarHBondContact O-CE1 3.36Å; Y37-Y65 PolarHBondContact O-OH 3.39Å; E42-Y65 CarbonylContact O-C 3.56Å; E42-Y65 WeakPolarHBondContact O-CA 3.41Å; I43-Y65 HydrophobicContact CD1-CD1 3.48Å; I43-Y65 VanDerWaalsContact CD1-CD1 3.48Å; I43-Y65 HydrophobicContact CD1-CE1 3.26Å; I43-Y65 HydrophobicContact CD1-CE2 4.36Å; I43-Y65 HydrophobicContact CD1-CG 4.11Å; I43-Y65 HydrophobicContact CG1-CD1 4.44Å; I43-Y65 HydrophobicContact CG1-CE1 4.22Å; I63-Y65 HydrophobicContact CD1-CD2 4.12Å; I63-Y65 HydrophobicContact CD1-CE2 3.53Å; Y65-E67 WeakPolarHBondContact CB-O 3.47Å; Y65-M70 HydrophobicContact CD1-CB 3.43Å; Y65-M70 VanDerWaalsContact CD1-CB 3.43Å; Y65-M70 HydrophobicContact CD1-CG 4.17Å; Y65-M70 HydrophobicContact CD1-SD 3.81Å; Y65-M70 HydrophobicContact CD2-CB 3.92Å; Y65-M70 HydrophobicContact CE1-CB 3.97Å; Y65-M70 HydrophobicContact CE2-CB 4.39Å; Y65-M70 HydrophobicContact CG-CB 3.41Å; Y65-M70 VanDerWaalsContact CG-CB 3.41Å; Y65-M70 HydrophobicContact CG-CG 4.4Å; Y65-M70 HydrophobicContact CG-SD 4.22Å; Y65-V71 HydrophobicContact CD2-CG2 3.8Å; Y65-A74 HydrophobicContact CE2-CB 4.02Å
66K96.4Very high96.7Very high85 Ų8547.3 Ų47.337%0.3724%0.237SC..SBendtrans-68.5-38.2171.5-174.2171.3-178.7177.70112.7R17 E42 V44 M70R17-K66 WeakPolarHBondContact CD-O 3.02Å; R17-K66 PolarHBondContact NH1-O 3.24Å; E42-K66 HydrophobicContact CB-CB 4.02Å; E42-K66 HydrophobicContact CB-CD 4.21Å; E42-K66 VanDerWaalsContact CD-CD 3.49Å; E42-K66 HydrophobicContact CG-CD 4.33Å; E42-K66 PolarHBondContact O-N 3.24Å; E42-K66 IonicContact OE1-NZ 3.45Å; E42-K66 WeakPolarHBondContact OE2-CD 3.07Å; E42-K66 IonicContact OE2-NZ 3.32Å; E42-K66 PolarHBondContact OE2-NZ 3.43Å; V44-K66 HydrophobicContact CG1-CB 3.88Å; V44-K66 HydrophobicContact CG1-CG 4.32Å; K66-M70 HydrophobicContact CB-CE 4.14Å; K66-M70 HydrophobicContact CB-SD 4.05Å
67E95.5Very high97Very high90 Ų9043 Ų4342%0.42123%0.227SC..SBendtrans-130.7150.5-177.8-58.8-59.6164.600111.6Y65 E69 M70Y65-E67 WeakPolarHBondContact CB-O 3.47Å; E67-E69 VanDerWaalsContact C-N 3.31Å; E67-E69 WeakPolarHBondContact CB-OE2 3.12Å; E67-E69 PolarHBondContact O-N 2.88Å; E67-M70 HydrophobicContact CB-CE 4.03Å; E67-M70 HydrophobicContact CB-CG 4.27Å; E67-M70 HydrophobicContact CB-SD 4.17Å; E67-M70 HydrophobicContact CG-CE 4.01Å; E67-M70 WeakPolarHBondContact O-CB 3.21Å; E67-M70 PolarHBondContact O-N 3.07Å
68P95.1Very high97.2Very high28 Ų2844.7 Ų44.718%0.18223%0.23CC..Hα-helixtrans-69.1-26.5-176.426.5-33.6000113.3F16 R17 M70 V71 D72F16-P68 HydrophobicContact CB-CB 4.27Å; R17-P68 HydrophobicContact CG-CB 4.07Å; P68-M70 PolarHBondContact O-N 3.24Å; P68-V71 VanDerWaalsContact O-CB 3.26Å; P68-V71 WeakPolarHBondContact O-CB 3.3Å; P68-V71 PolarHBondContact O-N 3.43Å; P68-D72 PolarHBondContact O-N 3.46Å
69E95.8Very high97.3Very high121 Ų12142.9 Ų42.957%0.56524%0.238SC*.Hα-helixtrans-64.1-25.9176.8-61.374.7-163.200111.7E67 V71 D72 A73E67-E69 VanDerWaalsContact C-N 3.31Å; E67-E69 WeakPolarHBondContact CB-OE2 3.12Å; E67-E69 PolarHBondContact O-N 2.88Å; E69-V71 VanDerWaalsContact C-N 3.29Å; E69-V71 PolarHBondContact O-N 3.5Å; E69-D72 WeakPolarHBondContact O-CB 3.14Å; E69-D72 PolarHBondContact O-N 2.78Å; E69-A73 PolarHBondContact O-N 3.32Å
70M97.8Very high97.4Very high38 Ų3842.2 Ų42.219%0.18723%0.229CC..Hα-helixtrans-69.2-30.2175.3-56.8171.3176.600111.6W40 G41 E42 Y65 K66 E67 P68 A74W40-M70 WeakPolarHBondContact O-CB 3.1Å; G41-M70 VanDerWaalsContact CA-SD 3.55Å; E42-M70 HydrophobicContact CB-CE 4.45Å; E42-M70 PolarHBondContact N-SD 3.02Å; E42-M70 VanDerWaalsContact N-SD 3.4Å; Y65-M70 HydrophobicContact CD1-CB 3.43Å; Y65-M70 VanDerWaalsContact CD1-CB 3.43Å; Y65-M70 HydrophobicContact CD1-CG 4.17Å; Y65-M70 HydrophobicContact CD1-SD 3.81Å; Y65-M70 HydrophobicContact CD2-CB 3.92Å; Y65-M70 HydrophobicContact CE1-CB 3.97Å; Y65-M70 HydrophobicContact CE2-CB 4.39Å; Y65-M70 HydrophobicContact CG-CB 3.41Å; Y65-M70 VanDerWaalsContact CG-CB 3.41Å; Y65-M70 HydrophobicContact CG-CG 4.4Å; Y65-M70 HydrophobicContact CG-SD 4.22Å; K66-M70 HydrophobicContact CB-CE 4.14Å; K66-M70 HydrophobicContact CB-SD 4.05Å; E67-M70 HydrophobicContact CB-CE 4.03Å; E67-M70 HydrophobicContact CB-CG 4.27Å; E67-M70 HydrophobicContact CB-SD 4.17Å; E67-M70 HydrophobicContact CG-CE 4.01Å; E67-M70 WeakPolarHBondContact O-CB 3.21Å; E67-M70 PolarHBondContact O-N 3.07Å; P68-M70 PolarHBondContact O-N 3.24Å; M70-A74 WeakPolarHBondContact O-CB 3.33Å; M70-A74 PolarHBondContact O-N 3.35Å
71V98Very high97.4Very high1 Ų146 Ų461%0.00625%0.247CC..Hα-helixtrans-65.4-44.5170.3177.70000110.1R17 L19 Y65 P68 E69 A74 Q75 R91R17-V71 VanDerWaalsContact C-CG2 3.41Å; R17-V71 WeakPolarHBondContact O-CG2 3.46Å; L19-V71 HydrophobicContact CD2-CG1 3.6Å; L19-V71 HydrophobicContact CG-CG1 3.98Å; L19-V71 HydrophobicContact CG-CG2 4.45Å; Y65-V71 HydrophobicContact CD2-CG2 3.8Å; P68-V71 VanDerWaalsContact O-CB 3.26Å; P68-V71 WeakPolarHBondContact O-CB 3.3Å; P68-V71 PolarHBondContact O-N 3.43Å; E69-V71 VanDerWaalsContact C-N 3.29Å; E69-V71 PolarHBondContact O-N 3.5Å; V71-A74 PolarHBondContact O-N 3.46Å; V71-Q75 HydrophobicContact CG1-CG 4.34Å; V71-Q75 WeakPolarHBondContact O-CB 3.41Å; V71-Q75 VanDerWaalsContact O-CG 3.28Å; V71-Q75 WeakPolarHBondContact O-CG 3.5Å; V71-Q75 PolarHBondContact O-N 2.93Å; V71-R91 HydrophobicContact CG1-CG 4.22Å
72D97.1Very high97.4Very high50 Ų5046.4 Ų46.427%0.26725%0.249SC..Hα-helixtrans-61.5-44.1177.3-66.8-19.6000111.1P68 E69 Q75 A76 R91 K164P68-D72 PolarHBondContact O-N 3.46Å; E69-D72 WeakPolarHBondContact O-CB 3.14Å; E69-D72 PolarHBondContact O-N 2.78Å; D72-Q75 PolarHBondContact O-N 2.94Å; D72-A76 WeakPolarHBondContact O-CB 3.44Å; D72-A76 PolarHBondContact O-N 3.32Å; D72-R91 IonicContact OD1-CZ 3.41Å; D72-R91 VanDerWaalsContact OD1-CZ 3.24Å; D72-R91 IonicContact OD1-NH1 2.86Å; D72-R91 PolarHBondContact OD1-NH1 3.35Å; D72-R91 IonicContact OD1-NH2 3.58Å; D72-R91 PolarHBondContact OD1-NH2 3.26Å; D72-K164 IonicContact OD1-NZ 2.86Å; D72-K164 PolarHBondContact OD1-NZ 2.86Å; D72-K164 IonicContact OD2-NZ 3.43Å; D72-K164 PolarHBondContact OD2-NZ 2.81Å
73A97.9Very high97.2Very high36 Ų3647.2 Ų47.230%0.29826%0.256SS..Hα-helixtrans-61.3-45.5176.500000112.2W40 E69 A76 N77W40-A73 HydrophobicContact CB-CB 4.12Å; E69-A73 PolarHBondContact O-N 3.32Å; A73-A76 PolarHBondContact O-N 2.89Å; A73-N77 PolarHBondContact O-N 2.93Å; A73-N77 PolarHBondContact O-ND2 3.46Å
74A98.4Very high97.1Very high0 Ų050.3 Ų50.30%029%0.288CS..Hα-helixtrans-62.6-44.1175.100000111.5L19 W40 Y65 M70 V71 A76 N77 H80L19-A74 HydrophobicContact CD1-CB 3.87Å; W40-A74 HydrophobicContact CB-CB 4.17Å; W40-A74 HydrophobicContact CD2-CB 3.92Å; W40-A74 HydrophobicContact CE3-CB 3.71Å; W40-A74 HydrophobicContact CG-CB 4.15Å; W40-A74 HydrophobicContact CZ3-CB 4.39Å; Y65-A74 HydrophobicContact CE2-CB 4.02Å; M70-A74 WeakPolarHBondContact O-CB 3.33Å; M70-A74 PolarHBondContact O-N 3.35Å; V71-A74 PolarHBondContact O-N 3.46Å; A74-A76 VanDerWaalsContact C-N 3.31Å; A74-A76 PolarHBondContact O-N 3.36Å; A74-N77 PolarHBondContact O-N 3.09Å; A74-H80 PolarHBondContact O-CE1 3.44Å; A74-H80 VanDerWaalsContact O-CE1 3.24Å; A74-H80 PolarHBondContact O-NE2 2.77Å
75Q98.2Very high97Very high2 Ų254.8 Ų54.81%0.00931%0.307CS..Hα-helixtrans-65.3-32.1178.7-73.3-70.7-9.100113L19 V71 D72 N77 R78 A89 D160L19-Q75 HydrophobicContact CD2-CG 4.18Å; V71-Q75 HydrophobicContact CG1-CG 4.34Å; V71-Q75 WeakPolarHBondContact O-CB 3.41Å; V71-Q75 VanDerWaalsContact O-CG 3.28Å; V71-Q75 WeakPolarHBondContact O-CG 3.5Å; V71-Q75 PolarHBondContact O-N 2.93Å; D72-Q75 PolarHBondContact O-N 2.94Å; Q75-N77 VanDerWaalsContact C-N 3.28Å; Q75-N77 PolarHBondContact O-N 3.29Å; Q75-R78 PolarHBondContact O-NE 2.8Å; Q75-R78 PolarHBondContact O-NH2 3.25Å; Q75-R78 VanDerWaalsContact OE1-CD 3.27Å; Q75-A89 PolarHBondContact NE2-O 2.88Å; Q75-A89 PolarHBondContact OE1-O 2.58Å; Q75-D160 HydrophobicContact CB-CB 4.41Å; Q75-D160 HydrophobicContact CG-CB 4.48Å; Q75-D160 VanDerWaalsContact CG-OD1 3.31Å; Q75-D160 WeakPolarHBondContact CG-OD1 3.48Å
76A97.4Very high97Very high81 Ų8159 Ų5967%0.66933%0.333SS*.Hα-helixtrans-71.6-19.3176.400000113.8D72 A73 A74D72-A76 WeakPolarHBondContact O-CB 3.44Å; D72-A76 PolarHBondContact O-N 3.32Å; A73-A76 PolarHBondContact O-N 2.89Å; A74-A76 VanDerWaalsContact C-N 3.31Å; A74-A76 PolarHBondContact O-N 3.36Å
77N98Very high97Very high91 Ų9155.5 Ų55.549%0.48732%0.319SS..THydrogen-bonded Turntrans-106.723.2-175.8-73.4-85.9000113.6W40 A73 A74 Q75 H80W40-N77 HydrophobicContact CZ2-CB 3.63Å; W40-N77 VanDerWaalsContact NE1-CB 3.33Å; W40-N77 PolarHBondContact NE1-ND2 3.23Å; A73-N77 PolarHBondContact O-N 2.93Å; A73-N77 PolarHBondContact O-ND2 3.46Å; A74-N77 PolarHBondContact O-N 3.09Å; Q75-N77 VanDerWaalsContact C-N 3.28Å; Q75-N77 PolarHBondContact O-N 3.29Å; N77-H80 PolarHBondContact O-CD2 3.37Å; N77-H80 VanDerWaalsContact O-CD2 3.29Å; N77-H80 PolarHBondContact O-NE2 3.15Å
78R97.5Very high97.1Very high60 Ų6054.8 Ų54.823%0.22632%0.315CS..PPolyproline II helixtrans-69.9154.7169.6-74.6175.2-66.1147.22.7111.2Q75 D158 Y159Q75-R78 PolarHBondContact O-NE 2.8Å; Q75-R78 PolarHBondContact O-NH2 3.25Å; Q75-R78 VanDerWaalsContact OE1-CD 3.27Å; R78-D158 IonicContact CZ-OD1 2.75Å; R78-D158 IonicContact CZ-OD2 2.58Å; R78-D158 IonicContact NH1-OD1 2.67Å; R78-D158 PolarHBondContact NH1-OD1 3.38Å; R78-D158 IonicContact NH1-OD2 3.01Å; R78-D158 PolarHBondContact NH1-OD2 2.88Å; R78-D158 VanDerWaalsContact NH2-CG 3.3Å; R78-D158 IonicContact NH2-OD1 3.6Å; R78-D158 PolarHBondContact NH2-OD1 2.92Å; R78-D158 IonicContact NH2-OD2 2.65Å; R78-D158 PolarHBondContact NH2-OD2 3.37Å; R78-Y159 VanDerWaalsContact CD-OH 3.31Å; R78-Y159 WeakPolarHBondContact CD-OH 3.32Å; R78-Y159 PolarHBondContact NH1-OH 3.3Å; R78-Y159 VanDerWaalsContact NH1-OH 3.09Å
79P97.4Very high97.2Very high109 Ų10953.5 Ų53.571%0.70831%0.307SS*.SBendcis-76.2151.51.131.7-35.7000113.1T86P79-T86 HydrophobicContact CB-CG2 3.99Å
80H98Very high97.3Very high4 Ų448.2 Ų48.22%0.01928%0.282CS..EExtended strand (participates in β ladder)trans-102.1135.6177.1-63.5171.4000110.7F36 Y37 W40 A74 N77 T86 V87F36-H80 HydrophobicContact CE1-CB 3.75Å; F36-H80 AromaticContact CE1-CG 3.9Å; F36-H80 HydrophobicContact CZ-CB 3.87Å; Y37-H80 AromaticContact CE1-CE1 3.65Å; Y37-H80 AromaticContact CE1-ND1 3.33Å; Y37-H80 VanDerWaalsContact CE1-ND1 3.33Å; Y37-H80 WeakPolarHBondContact CE1-ND1 3.43Å; Y37-H80 AromaticContact CZ-ND1 3.54Å; Y37-H80 PolarHBondContact OH-ND1 3.05Å; Y37-H80 VanDerWaalsContact OH-ND1 3.17Å; W40-H80 AromaticContact CH2-CD2 3.44Å; W40-H80 VanDerWaalsContact CH2-CD2 3.44Å; W40-H80 WeakPolarHBondContact CH2-CD2 3.22Å; W40-H80 AromaticContact CH2-CE1 3.55Å; W40-H80 AromaticContact CH2-CG 3.86Å; W40-H80 AromaticContact CH2-ND1 3.9Å; W40-H80 AromaticContact CH2-NE2 3.26Å; W40-H80 VanDerWaalsContact CH2-NE2 3.26Å; W40-H80 WeakPolarHBondContact CH2-NE2 3.47Å; W40-H80 AromaticContact CZ2-CD2 3.99Å; W40-H80 AromaticContact CZ2-NE2 3.68Å; W40-H80 AromaticContact CZ3-CE1 3.62Å; W40-H80 AromaticContact CZ3-ND1 3.97Å; W40-H80 AromaticContact CZ3-NE2 3.81Å; A74-H80 PolarHBondContact O-CE1 3.44Å; A74-H80 VanDerWaalsContact O-CE1 3.24Å; A74-H80 PolarHBondContact O-NE2 2.77Å; N77-H80 PolarHBondContact O-CD2 3.37Å; N77-H80 VanDerWaalsContact O-CD2 3.29Å; N77-H80 PolarHBondContact O-NE2 3.15Å; H80-T86 CarbonylContact O-C 3.56Å; H80-T86 VanDerWaalsContact O-CA 3.29Å; H80-T86 WeakPolarHBondContact O-CA 3.45Å; H80-V87 HydrophobicContact CB-CG2 3.61Å; H80-V87 PolarHBondContact O-N 2.81Å
81E97.6Very high97.2Very high120 Ų12046.7 Ų46.756%0.56128%0.275SS*.EExtended strand (participates in β ladder)trans-119.8122.8177.6-169.5179.6139.200110.5F36 G84 K85F36-E81 WeakPolarHBondContact CE2-O 3.31Å; E81-G84 WeakPolarHBondContact OE1-CA 3.32Å; E81-K85 WeakPolarHBondContact CA-O 3.44Å
82I96.6Very high97.1Very high8 Ų846.8 Ų46.84%0.04128%0.275CS..EExtended strand (participates in β ladder)trans-132129.2-179.2-52.7-179.1000107.8T28 L33 F36 Y37 G84 K85 V87T28-I82 HydrophobicContact CG2-CG2 3.91Å; L33-I82 HydrophobicContact CD2-CD1 3.73Å; F36-I82 HydrophobicContact CB-CD1 4.34Å; F36-I82 HydrophobicContact CB-CG1 4.47Å; F36-I82 HydrophobicContact CD1-CD1 3.53Å; F36-I82 HydrophobicContact CD1-CG1 3.72Å; F36-I82 HydrophobicContact CD2-CG1 4.05Å; F36-I82 HydrophobicContact CE1-CD1 3.96Å; F36-I82 HydrophobicContact CE1-CG1 3.89Å; F36-I82 HydrophobicContact CE2-CG1 4.2Å; F36-I82 HydrophobicContact CG-CD1 3.92Å; F36-I82 HydrophobicContact CG-CG1 3.8Å; F36-I82 HydrophobicContact CZ-CG1 4.12Å; Y37-I82 HydrophobicContact CD2-CD1 4.29Å; Y37-I82 HydrophobicContact CE2-CD1 3.6Å; I82-G84 PolarHBondContact O-N 3.37Å; I82-K85 PolarHBondContact N-O 2.97Å; I82-K85 PolarHBondContact O-N 3.17Å; I82-K85 VanDerWaalsContact O-N 3.09Å; I82-V87 HydrophobicContact CB-CG1 4.09Å; I82-V87 HydrophobicContact CD1-CG1 4.28Å; I82-V87 HydrophobicContact CD1-CG2 3.96Å; I82-V87 HydrophobicContact CG1-CG1 4.22Å; I82-V87 HydrophobicContact CG1-CG2 4.16Å
83D94.6Very high96.8Very high65 Ų6545.3 Ų45.335%0.34827%0.267SS..THydrogen-bonded Turntrans54.238.2-176.3-62.7-51.3000113.2T25 T28 K32 K85T25-D83 HydrophobicContact CG2-CB 3.92Å; T28-D83 VanDerWaalsContact CA-OD2 3.3Å; T28-D83 WeakPolarHBondContact CA-OD2 3.32Å; T28-D83 VanDerWaalsContact CB-OD2 3.31Å; T28-D83 WeakPolarHBondContact CB-OD2 3.11Å; T28-D83 PolarHBondContact OG1-OD2 2.92Å; K32-D83 WeakPolarHBondContact CD-OD1 3.22Å; K32-D83 WeakPolarHBondContact CE-OD1 3.42Å; K32-D83 IonicContact NZ-OD1 2.69Å; K32-D83 PolarHBondContact NZ-OD1 3.47Å; K32-D83 IonicContact NZ-OD2 3.77Å; D83-K85 PolarHBondContact O-N 2.88Å
84G94.9Very high96.2Very high65 Ų6544.8 Ų44.867%0.6726%0.26SS*.THydrogen-bonded Turntrans72.213.1-179.900000114.5E81 I82E81-G84 WeakPolarHBondContact OE1-CA 3.32Å; I82-G84 PolarHBondContact O-N 3.37Å
85K96.2Very high95.3Very high96 Ų9654.9 Ų54.942%0.41730%0.299SS..EExtended strand (participates in β ladder)trans-126.2132.4-179.9-172.9178.4175.7-163.80110.8G23 T25 E81 I82 D83 V87G23-K85 VanDerWaalsContact O-CD 3.26Å; G23-K85 WeakPolarHBondContact O-CD 3.3Å; G23-K85 WeakPolarHBondContact O-CE 3.48Å; G23-K85 PolarHBondContact O-NZ 3.47Å; T25-K85 HydrophobicContact CG2-CB 3.95Å; T25-K85 HydrophobicContact CG2-CD 3.99Å; E81-K85 WeakPolarHBondContact CA-O 3.44Å; I82-K85 PolarHBondContact N-O 2.97Å; I82-K85 PolarHBondContact O-N 3.17Å; I82-K85 VanDerWaalsContact O-N 3.09Å; D83-K85 PolarHBondContact O-N 2.88Å; K85-V87 PolarHBondContact O-N 3.45Å
86T97.6Very high94.3Very high90 Ų9061.7 Ų61.755%0.55233%0.33SS*.EExtended strand (participates in β ladder)trans-66.9124.8171.3-49.40000110.4P79 H80P79-T86 HydrophobicContact CB-CG2 3.99Å; H80-T86 CarbonylContact O-C 3.56Å; H80-T86 VanDerWaalsContact O-CA 3.29Å; H80-T86 WeakPolarHBondContact O-CA 3.45Å
87V97.7Very high93.3Very high11 Ų1161.1 Ų61.17%0.06732%0.316CS..EExtended strand (participates in β ladder)trans-101.4155.8178.8-58.80000110.7I21 G22 L24 H80 I82 K85I21-V87 HydrophobicContact CG2-CB 3.92Å; I21-V87 HydrophobicContact CG2-CG2 3.82Å; G22-V87 WeakPolarHBondContact O-CA 3.46Å; G22-V87 WeakPolarHBondContact O-CB 3.39Å; L24-V87 HydrophobicContact CD2-CB 4.44Å; L24-V87 HydrophobicContact CD2-CG1 3.79Å; H80-V87 HydrophobicContact CB-CG2 3.61Å; H80-V87 PolarHBondContact O-N 2.81Å; I82-V87 HydrophobicContact CB-CG1 4.09Å; I82-V87 HydrophobicContact CD1-CG1 4.28Å; I82-V87 HydrophobicContact CD1-CG2 3.96Å; I82-V87 HydrophobicContact CG1-CG1 4.22Å; I82-V87 HydrophobicContact CG1-CG2 4.16Å; K85-V87 PolarHBondContact O-N 3.45Å
88E96.9Very high92.3Very high74 Ų7458.1 Ų58.135%0.34630%0.302SS..EExtended strand (participates in β ladder)trans-97.9108.6175.1-174172.5-154.600109.8I21 G22 K90 T106I21-E88 CarbonylContact C-O 3.57Å; I21-E88 WeakPolarHBondContact CA-O 3.49Å; G22-E88 PolarHBondContact N-O 2.92Å; G22-E88 PolarHBondContact O-N 2.67Å; E88-K90 VanDerWaalsContact CD-CE 3.45Å; E88-K90 HydrophobicContact CG-CG 4.18Å; E88-K90 WeakPolarHBondContact OE1-CE 3.34Å; E88-K90 IonicContact OE1-NZ 3.8Å; E88-K90 PolarHBondContact OE1-NZ 3.47Å; E88-T106 PolarHBondContact OE1-OG1 3.11Å
89A97.6Very high91.1Very high1 Ų161.9 Ų61.91%0.00833%0.327CS..EExtended strand (participates in β ladder)trans-97.8116.6177.800000110.6I21 Q75 Y159I21-A89 HydrophobicContact CD1-CB 4.18Å; Q75-A89 PolarHBondContact NE2-O 2.88Å; Q75-A89 PolarHBondContact OE1-O 2.58Å; A89-Y159 PolarHBondContact O-OH 2.89Å; A89-Y159 VanDerWaalsContact O-OH 3.09Å
90K97.2Very high90Very high10 Ų1058.9 Ų58.94%0.04331%0.308CS..EExtended strand (participates in β ladder)trans-124.9154.7177.3-64.4-171.9175-54.60111L19 F20 E88 A92 T106 Y159L19-K90 CarbonylContact C-O 3.43Å; L19-K90 VanDerWaalsContact CA-O 3.3Å; L19-K90 WeakPolarHBondContact CA-O 3.5Å; L19-K90 WeakPolarHBondContact CD2-O 3.38Å; F20-K90 HydrophobicContact CB-CB 4.48Å; F20-K90 HydrophobicContact CD1-CB 4.24Å; F20-K90 PolarHBondContact N-O 3.34Å; F20-K90 PolarHBondContact O-N 3.3Å; E88-K90 VanDerWaalsContact CD-CE 3.45Å; E88-K90 HydrophobicContact CG-CG 4.18Å; E88-K90 WeakPolarHBondContact OE1-CE 3.34Å; E88-K90 IonicContact OE1-NZ 3.8Å; E88-K90 PolarHBondContact OE1-NZ 3.47Å; K90-A92 PolarHBondContact O-N 2.93Å; K90-T106 WeakPolarHBondContact CE-OG1 2.96Å; K90-T106 VanDerWaalsContact NZ-CG2 3.3Å; K90-T106 PolarHBondContact NZ-OG1 3.18Å; K90-Y159 HydrophobicContact CG-CE2 4.06Å
91R96.7Very high89Confident7 Ų763.4 Ų63.43%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-61.8134.1165-51.4-172.4-178.4-104.7-8.7108.9L19 V71 D72 M93 D160 D163 L167L19-R91 HydrophobicContact CD2-CG 4.46Å; V71-R91 HydrophobicContact CG1-CG 4.22Å; D72-R91 IonicContact OD1-CZ 3.41Å; D72-R91 VanDerWaalsContact OD1-CZ 3.24Å; D72-R91 IonicContact OD1-NH1 2.86Å; D72-R91 PolarHBondContact OD1-NH1 3.35Å; D72-R91 IonicContact OD1-NH2 3.58Å; D72-R91 PolarHBondContact OD1-NH2 3.26Å; R91-M93 PolarHBondContact O-N 3.27Å; R91-D160 WeakPolarHBondContact CG-OD1 3.41Å; R91-D160 IonicContact CZ-OD1 2.76Å; R91-D160 IonicContact CZ-OD2 2.95Å; R91-D160 IonicContact NE-OD1 3.24Å; R91-D160 PolarHBondContact NE-OD1 3.08Å; R91-D160 IonicContact NE-OD2 2.73Å; R91-D160 IonicContact NH2-OD1 3.55Å; R91-D160 PolarHBondContact NH2-OD1 2.81Å; R91-D160 IonicContact NH2-OD2 2.81Å; R91-D160 PolarHBondContact NH2-OD2 2.89Å; R91-D163 HydrophobicContact CB-CB 4.12Å; R91-D163 HydrophobicContact CG-CB 4.18Å; R91-L167 HydrophobicContact CB-CD1 3.49Å; R91-L167 VanDerWaalsContact CB-CD1 3.49Å; R91-L167 HydrophobicContact CG-CD1 4.26Å
92A95.2Very high88.2Confident2 Ų260 Ų602%0.01732%0.322CS..PPolyproline II helixtrans-64.4137.6177.800000108.6Q15 K18 F62 K90Q15-A92 PolarHBondContact NE2-O 3.18Å; K18-A92 HydrophobicContact CB-CB 3.87Å; K18-A92 HydrophobicContact CD-CB 4.12Å; K18-A92 HydrophobicContact CG-CB 3.74Å; K18-A92 WeakPolarHBondContact O-CB 3.34Å; K18-A92 PolarHBondContact O-N 3.46Å; F62-A92 HydrophobicContact CD1-CB 4.12Å; F62-A92 HydrophobicContact CE1-CB 4.18Å; K90-A92 PolarHBondContact O-N 2.93Å
93M90.9Very high87.5Confident20 Ų2060.3 Ų60.310%0.09933%0.325CS..PPolyproline II helixtrans-85.3146.3171.8-73.1-51.4-57.100110.2Q15 R91 D97 S98 I166 L167Q15-M93 VanDerWaalsContact NE2-C 3.32Å; Q15-M93 PolarHBondContact NE2-O 3.46Å; R91-M93 PolarHBondContact O-N 3.27Å; M93-D97 HydrophobicContact CE-CB 3.89Å; M93-S98 WeakPolarHBondContact CB-OG 3.49Å; M93-S98 PolarHBondContact O-OG 2.8Å; M93-I166 HydrophobicContact CE-CG2 3.46Å; M93-I166 VanDerWaalsContact CE-CG2 3.46Å; M93-I166 HydrophobicContact SD-CG2 4.33Å; M93-L167 HydrophobicContact SD-CD2 4.37Å
94P84.5Confident87Confident24 Ų2462 Ų6216%0.15633%0.33CS..PPolyproline II helixtrans-56.4149.5170.1-20.231.3000110.5Q15 E96 D97 S98 L167Q15-P94 HydrophobicContact CG-CG 4.05Å; P94-E96 PolarHBondContact O-N 3.25Å; P94-D97 PolarHBondContact O-N 2.84Å; P94-D97 VanDerWaalsContact O-N 3.17Å; P94-S98 WeakPolarHBondContact O-CB 3.35Å; P94-S98 PolarHBondContact O-N 3Å; P94-S98 PolarHBondContact O-OG 2.9Å; P94-L167 HydrophobicContact CG-CD2 4.14Å
95R79.9Confident86.7Confident212 Ų21261 Ų6180%0.831%0.309SS*.THydrogen-bonded Turntrans-60.5-32.5-177.8-73-179.2174.5-97.51.8112.1N99R95-N99 PolarHBondContact O-ND2 3.23Å
96E78.1Confident86.5Confident145 Ų14559.9 Ų59.968%0.67831%0.31SS*.THydrogen-bonded Turntrans-66.1-41.8179.8-60.871.8-154.700111.2P94P94-E96 PolarHBondContact O-N 3.25Å
97D76.7Confident86.4Confident69 Ų6956.5 Ų56.537%0.36929%0.289SS..THydrogen-bonded Turntrans-82.6-26.7179.3-67.4-27.4000112.4M93 P94 N99 S100 S103M93-D97 HydrophobicContact CE-CB 3.89Å; P94-D97 PolarHBondContact O-N 2.84Å; P94-D97 VanDerWaalsContact O-N 3.17Å; D97-N99 PolarHBondContact O-N 3.16Å; D97-N99 VanDerWaalsContact O-N 3.11Å; D97-S100 PolarHBondContact O-N 3.3Å; D97-S103 WeakPolarHBondContact O-CB 3.18Å; D97-S103 PolarHBondContact O-OG 2.95Å
98S75.8Confident86.3Confident28 Ų2858.7 Ų58.720%0.19630%0.303CS..THydrogen-bonded Turntrans-63.4-16.4-178.9-63.40000113.8M93 P94 S100 S103 H104M93-S98 WeakPolarHBondContact CB-OG 3.49Å; M93-S98 PolarHBondContact O-OG 2.8Å; P94-S98 WeakPolarHBondContact O-CB 3.35Å; P94-S98 PolarHBondContact O-N 3Å; P94-S98 PolarHBondContact O-OG 2.9Å; S98-S100 VanDerWaalsContact C-N 3.27Å; S98-S100 PolarHBondContact O-N 3.2Å; S98-S103 VanDerWaalsContact CA-OG 3.32Å; S98-S103 WeakPolarHBondContact CA-OG 3.03Å; S98-S103 PolarHBondContact O-OG 3.41Å; S98-H104 PolarHBondContact O-NE2 3.49Å; S98-H104 VanDerWaalsContact O-NE2 3.13Å
99N72.5Confident86.4Confident140 Ų14057.9 Ų57.975%0.74930%0.298SS*.THydrogen-bonded Turntrans-73.7-19.8179.7-66.4-43.8000113.1R95 D97R95-N99 PolarHBondContact O-ND2 3.23Å; D97-N99 PolarHBondContact O-N 3.16Å; D97-N99 VanDerWaalsContact O-N 3.11Å
100S74.9Confident86.4Confident45 Ų4557.9 Ų57.932%0.31530%0.298SS..SBendtrans-78.6128.2173.2-179.30000109.2D97 S98 E102 S103D97-S100 PolarHBondContact O-N 3.3Å; S98-S100 VanDerWaalsContact C-N 3.27Å; S98-S100 PolarHBondContact O-N 3.2Å; S100-E102 PolarHBondContact O-N 2.77Å; S100-E102 WeakPolarHBondContact OG-CB 3.35Å; S100-E102 WeakPolarHBondContact OG-CG 3.47Å; S100-E102 PolarHBondContact OG-N 3.38Å; S100-S103 VanDerWaalsContact O-CB 3.3Å; S100-S103 WeakPolarHBondContact O-CB 3.07Å; S100-S103 PolarHBondContact O-N 2.78Å; S100-S103 PolarHBondContact O-OG 3.48Å
101P76.2Confident86.4Confident99 Ų9959.3 Ų59.364%0.64330%0.304SS*.G310 helixtrans-57.7-24.2175.125.4-34.1000112S103P101-S103 VanDerWaalsContact C-N 3.29Å; P101-S103 PolarHBondContact O-N 3.34Å
102E81.5Confident86.4Confident49 Ų4959 Ų5923%0.22930%0.303CS..G310 helixtrans-65.5-33.2177.3-52.2175.7-175.400111.9S100 H104 M105 K182 L184 M192S100-E102 PolarHBondContact O-N 2.77Å; S100-E102 WeakPolarHBondContact OG-CB 3.35Å; S100-E102 WeakPolarHBondContact OG-CG 3.47Å; S100-E102 PolarHBondContact OG-N 3.38Å; E102-H104 VanDerWaalsContact C-N 3.26Å; E102-H104 PolarHBondContact O-N 2.93Å; E102-M105 WeakPolarHBondContact O-CB 3.38Å; E102-M105 PolarHBondContact O-N 3.05Å; E102-M105 VanDerWaalsContact O-N 3.15Å; E102-K182 WeakPolarHBondContact O-CD 3.39Å; E102-L184 HydrophobicContact CB-CD2 4.38Å; E102-L184 VanDerWaalsContact CD-CD1 3.44Å; E102-L184 HydrophobicContact CG-CD1 3.95Å; E102-L184 HydrophobicContact CG-CD2 4.13Å; E102-L184 HydrophobicContact CG-CG 4.46Å; E102-L184 WeakPolarHBondContact OE1-CD1 3.44Å; E102-M192 HydrophobicContact CG-CE 4.07Å; E102-M192 HydrophobicContact CG-SD 3.87Å; E102-M192 VanDerWaalsContact OE1-SD 3.4Å
103S82Confident86.5Confident14 Ų1459.1 Ų59.110%0.09831%0.305CS..G310 helixtrans-64.1-27.2-171.569.30000114.1D97 S98 S100 P101 K182D97-S103 WeakPolarHBondContact O-CB 3.18Å; D97-S103 PolarHBondContact O-OG 2.95Å; S98-S103 VanDerWaalsContact CA-OG 3.32Å; S98-S103 WeakPolarHBondContact CA-OG 3.03Å; S98-S103 PolarHBondContact O-OG 3.41Å; S100-S103 VanDerWaalsContact O-CB 3.3Å; S100-S103 WeakPolarHBondContact O-CB 3.07Å; S100-S103 PolarHBondContact O-N 2.78Å; S100-S103 PolarHBondContact O-OG 3.48Å; P101-S103 VanDerWaalsContact C-N 3.29Å; P101-S103 PolarHBondContact O-N 3.34Å; S103-K182 WeakPolarHBondContact O-CE 3.25Å
104H83Confident86.7Confident100 Ų10060.7 Ų60.746%0.46333%0.326SS..G310 helixtrans-95.9-3.1-178.9-62.1-53.2000113.3S98 E102S98-H104 PolarHBondContact O-NE2 3.49Å; S98-H104 VanDerWaalsContact O-NE2 3.13Å; E102-H104 VanDerWaalsContact C-N 3.26Å; E102-H104 PolarHBondContact O-N 2.93Å
105M89.2Confident87.2Confident46 Ų4660 Ų6023%0.22732%0.321CS..  trans-70.9141.3-177-65.5178.558.800112E102 V107 K182 L184E102-M105 WeakPolarHBondContact O-CB 3.38Å; E102-M105 PolarHBondContact O-N 3.05Å; E102-M105 VanDerWaalsContact O-N 3.15Å; M105-V107 HydrophobicContact CB-CG1 4.13Å; M105-V107 HydrophobicContact CE-CG1 4.4Å; M105-V107 PolarHBondContact O-N 3.49Å; M105-K182 WeakPolarHBondContact O-CD 3.28Å; M105-K182 VanDerWaalsContact O-CE 3.25Å; M105-K182 WeakPolarHBondContact O-CE 3.05Å; M105-K182 PolarHBondContact O-NZ 2.99Å; M105-L184 HydrophobicContact CE-CD2 3.91Å; M105-L184 HydrophobicContact SD-CD2 3.68Å
106T92.7Very high87.9Confident71 Ų7154.8 Ų54.844%0.43630%0.304SS..  trans-84.7101.2173.1-470000109.2E88 K90 Y159E88-T106 PolarHBondContact OE1-OG1 3.11Å; K90-T106 WeakPolarHBondContact CE-OG1 2.96Å; K90-T106 VanDerWaalsContact NZ-CG2 3.3Å; K90-T106 PolarHBondContact NZ-OG1 3.18Å; T106-Y159 HydrophobicContact CG2-CD1 3.5Å; T106-Y159 HydrophobicContact CG2-CD2 4.33Å; T106-Y159 HydrophobicContact CG2-CE1 4.01Å; T106-Y159 HydrophobicContact CG2-CG 3.67Å
107V95Very high88.5Confident19 Ų1954.7 Ų54.712%0.11530%0.301CS..  trans-132.9146179.3-55.60000110M105 Y159 V162 K182M105-V107 HydrophobicContact CB-CG1 4.13Å; M105-V107 HydrophobicContact CE-CG1 4.4Å; M105-V107 PolarHBondContact O-N 3.49Å; V107-Y159 WeakPolarHBondContact O-CB 3.31Å; V107-V162 HydrophobicContact CG2-CG1 4.1Å; V107-V162 WeakPolarHBondContact O-CG2 3.3Å; V107-K182 HydrophobicContact CG2-CB 3.61Å; V107-K182 HydrophobicContact CG2-CD 4.13Å; V107-K182 HydrophobicContact CG2-CG 3.62Å
108T96.9Very high89.2Confident57 Ų5755.9 Ų55.935%0.3531%0.308SS..SBendtrans-98.7-6.9175.259.70000112.6F156 V162T108-F156 WeakPolarHBondContact CB-O 3.45Å; T108-F156 PolarHBondContact O-N 3.19Å; T108-V162 WeakPolarHBondContact O-CG2 3.29Å
109K97.6Very high90Very high58 Ų5854.8 Ų54.825%0.25230%0.3SS..EExtended strand (participates in β ladder)trans-102.6127.5179.8-165.3166-175.3162.80110.8E138 F153 V154 T155 A183K109-E138 IonicContact NZ-OE1 3.43Å; K109-E138 PolarHBondContact NZ-OE1 3.48Å; K109-F153 HydrophobicContact CD-CB 4.38Å; K109-F153 HydrophobicContact CD-CD1 4.39Å; K109-F153 VanDerWaalsContact CE-CG 3.44Å; K109-F153 HydrophobicContact CG-CB 4.29Å; K109-F153 HydrophobicContact CG-CD1 4.32Å; K109-V154 CarbonylContact C-O 3.54Å; K109-V154 WeakPolarHBondContact CA-O 3.37Å; K109-T155 HydrophobicContact CB-CG2 4.47Å; K109-A183 HydrophobicContact CB-CB 3.85Å; K109-A183 HydrophobicContact CD-CB 4.38Å; K109-A183 HydrophobicContact CG-CB 3.68Å; K109-A183 WeakPolarHBondContact O-CB 3.25Å; K109-A183 PolarHBondContact O-N 2.97Å
110L97.6Very high91Very high0 Ų050.9 Ų50.90%028%0.281CS..EExtended strand (participates in β ladder)trans-103.3129.9177.2-171.473.7000109.1V112 F128 F153 V154 F156 V162 A165 I166 V180L110-V112 HydrophobicContact CD2-CG2 4.12Å; L110-V112 HydrophobicContact CG-CG2 4.31Å; L110-F128 HydrophobicContact CD2-CD1 3.85Å; L110-F128 HydrophobicContact CD2-CE1 3.49Å; L110-F128 VanDerWaalsContact CD2-CE1 3.49Å; L110-F128 HydrophobicContact CD2-CZ 3.89Å; L110-F153 VanDerWaalsContact O-CA 3.28Å; L110-F153 WeakPolarHBondContact O-CA 3.42Å; L110-V154 HydrophobicContact CB-CB 4.43Å; L110-V154 PolarHBondContact N-O 2.95Å; L110-V154 PolarHBondContact O-N 2.75Å; L110-F156 HydrophobicContact CB-CE2 4.24Å; L110-F156 HydrophobicContact CD2-CE2 4.39Å; L110-V162 HydrophobicContact CB-CG2 4.44Å; L110-V162 HydrophobicContact CD1-CG1 3.85Å; L110-A165 HydrophobicContact CD1-CB 4.28Å; L110-A165 HydrophobicContact CD2-CB 3.79Å; L110-I166 HydrophobicContact CD1-CD1 4.26Å; L110-I166 HydrophobicContact CD1-CG1 3.91Å; L110-V180 HydrophobicContact CD1-CB 4.08Å; L110-V180 HydrophobicContact CD2-CB 4.34Å; L110-V180 HydrophobicContact CD2-CG1 4.19Å; L110-V180 HydrophobicContact CG-CB 4.32Å
111F96.9Very high91.8Very high40 Ų4052.2 Ų52.218%0.17528%0.283CS..EExtended strand (participates in β ladder)trans-88134.1167.3170.6-83.9000108.6F151 F153 V180 K181 A183F111-F151 HydrophobicContact CD2-CD2 4.23Å; F111-F151 HydrophobicContact CE2-CB 3.85Å; F111-F151 AromaticContact CE2-CD2 3.52Å; F111-F151 HydrophobicContact CE2-CD2 3.52Å; F111-F151 HydrophobicContact CE2-CE2 4.28Å; F111-F151 AromaticContact CE2-CG 3.86Å; F111-F151 HydrophobicContact CE2-CG 3.86Å; F111-F151 HydrophobicContact CZ-CB 3.77Å; F111-F151 HydrophobicContact CZ-CD2 4.29Å; F111-F151 HydrophobicContact CZ-CG 4.18Å; F111-F153 HydrophobicContact CB-CD1 4.27Å; F111-F153 HydrophobicContact CB-CE1 4.15Å; F111-F153 HydrophobicContact CD2-CD1 4.33Å; F111-F153 AromaticContact CD2-CE1 3.68Å; F111-F153 HydrophobicContact CD2-CE1 3.68Å; F111-F153 AromaticContact CD2-CZ 3.99Å; F111-F153 HydrophobicContact CD2-CZ 3.99Å; F111-F153 HydrophobicContact CG-CE1 4.41Å; F111-V180 VanDerWaalsContact O-CA 3.32Å; F111-V180 WeakPolarHBondContact O-CA 3.26Å; F111-K181 HydrophobicContact CB-CG 3.88Å; F111-K181 HydrophobicContact CD1-CD 4.09Å; F111-K181 VanDerWaalsContact CD1-CE 3.4Å; F111-K181 HydrophobicContact CD1-CG 3.71Å; F111-K181 HydrophobicContact CG-CG 4.1Å; F111-K181 PolarHBondContact N-O 3.27Å; F111-K181 PolarHBondContact O-N 3.37Å; F111-K181 VanDerWaalsContact O-N 3.15Å; F111-A183 HydrophobicContact CB-CB 4.2Å
112V97.3Very high92.7Very high0 Ų052.5 Ų52.50%028%0.275CS..EExtended strand (participates in β ladder)trans-123.9110.4178.7-170.90000108.2L110 L115 L124 F128 F151 G152 V154 I173 A178 V180L110-V112 HydrophobicContact CD2-CG2 4.12Å; L110-V112 HydrophobicContact CG-CG2 4.31Å; V112-L115 HydrophobicContact CG1-CD1 4.33Å; V112-L115 HydrophobicContact CG1-CD2 3.78Å; V112-L115 HydrophobicContact CG1-CG 4.24Å; V112-L124 HydrophobicContact CB-CD2 4.31Å; V112-L124 HydrophobicContact CG2-CD2 4.41Å; V112-F128 HydrophobicContact CB-CE2 4.39Å; V112-F128 HydrophobicContact CG1-CE2 3.93Å; V112-F128 HydrophobicContact CG1-CZ 4.14Å; V112-F128 HydrophobicContact CG2-CD2 4.39Å; V112-F128 HydrophobicContact CG2-CE2 3.55Å; V112-F128 HydrophobicContact CG2-CZ 3.8Å; V112-F151 CarbonylContact O-C 3.39Å; V112-F151 WeakPolarHBondContact O-CA 3.29Å; V112-F151 VanDerWaalsContact O-CB 3.32Å; V112-F151 WeakPolarHBondContact O-CB 3.22Å; V112-G152 PolarHBondContact N-O 2.97Å; V112-G152 PolarHBondContact O-N 2.81Å; V112-V154 HydrophobicContact CG2-CG2 4.17Å; V112-I173 HydrophobicContact CG1-CD1 3.94Å; V112-A178 HydrophobicContact CG1-CB 3.79Å; V112-V180 HydrophobicContact CG1-CG1 4.31Å; V112-V180 HydrophobicContact CG2-CG1 4.33Å
113G96.7Very high93.3Very high6 Ų653.5 Ų53.56%0.06228%0.28CS..EExtended strand (participates in β ladder)trans-112.4169.4179.600000112.9L115 A178 D179G113-L115 VanDerWaalsContact C-N 3.3Å; G113-A178 CarbonylContact O-C 3.6Å; G113-A178 VanDerWaalsContact O-CA 3.25Å; G113-A178 WeakPolarHBondContact O-CA 3.44Å; G113-D179 PolarHBondContact N-O 2.98Å; G113-D179 PolarHBondContact O-N 2.8Å
114G95.5Very high93.9Very high52 Ų5252.9 Ų52.954%0.53628%0.275SS..  trans75.422.8-179.900000113.2G150G114-G150 PolarHBondContact N-O 2.7Å; G114-G150 VanDerWaalsContact N-O 3.08Å
115L95.8Very high94.6Very high10 Ų1053.2 Ų53.25%0.05227%0.273CS..  trans-75.8133.5174-55.6178000109V112 G113 V119 L124 V139 G150 I173 A178V112-L115 HydrophobicContact CG1-CD1 4.33Å; V112-L115 HydrophobicContact CG1-CD2 3.78Å; V112-L115 HydrophobicContact CG1-CG 4.24Å; G113-L115 VanDerWaalsContact C-N 3.3Å; L115-V119 HydrophobicContact CB-CB 4.41Å; L115-V119 HydrophobicContact CD2-CG1 4.3Å; L115-L124 HydrophobicContact CD1-CD1 3.59Å; L115-L124 HydrophobicContact CD1-CD2 3.93Å; L115-L124 HydrophobicContact CD1-CG 4.37Å; L115-L124 HydrophobicContact CD2-CD1 3.87Å; L115-L124 HydrophobicContact CG-CD1 4.37Å; L115-V139 HydrophobicContact CD1-CG2 4.49Å; L115-G150 PolarHBondContact N-O 3.21Å; L115-G150 WeakPolarHBondContact O-CA 3.45Å; L115-I173 HydrophobicContact CD2-CD1 4.25Å; L115-A178 HydrophobicContact CD2-CB 4.03Å
116K94Very high94.9Very high102 Ų10258.1 Ų58.144%0.44330%0.295SS..  trans-73.5164.4167.8-68.7172.3174.7179.30110.1D118 V119 S175 S176K116-D118 VanDerWaalsContact C-N 3.25Å; K116-D118 WeakPolarHBondContact CB-OD1 3.41Å; K116-D118 PolarHBondContact O-N 3.33Å; K116-V119 PolarHBondContact O-N 3.01Å; K116-S175 WeakPolarHBondContact CD-OG 3.36Å; K116-S175 WeakPolarHBondContact CE-O 3.28Å; K116-S175 VanDerWaalsContact NZ-CB 3.32Å; K116-S175 PolarHBondContact NZ-O 2.89Å; K116-S175 PolarHBondContact NZ-OG 3.18Å; K116-S176 VanDerWaalsContact CB-OG 3.3Å; K116-S176 WeakPolarHBondContact CB-OG 3.49Å; K116-S176 WeakPolarHBondContact CG-OG 3.33Å; K116-S176 PolarHBondContact N-OG 2.58Å
117K90.9Very high95.1Very high143 Ų14357 Ų5762%0.62228%0.283SS*.THydrogen-bonded Turntrans-69.5-23-171-63.3178.3177.5-177.20113.8V119 E147K117-V119 VanDerWaalsContact C-N 3.33Å; K117-E147 HydrophobicContact CD-CG 4.23Å; K117-E147 VanDerWaalsContact CD-OE1 3.23Å; K117-E147 WeakPolarHBondContact CD-OE1 3.28Å; K117-E147 WeakPolarHBondContact CE-OE1 3.41Å; K117-E147 IonicContact NZ-OE1 2.61Å; K117-E147 PolarHBondContact NZ-OE1 3.06Å
118D91.3Very high95.3Very high94 Ų9456.1 Ų56.150%0.50328%0.278SS..THydrogen-bonded Turntrans-75.7-18.8175.955.2-35.6000113K116 T120 S175K116-D118 VanDerWaalsContact C-N 3.25Å; K116-D118 WeakPolarHBondContact CB-OD1 3.41Å; K116-D118 PolarHBondContact O-N 3.33Å; D118-T120 PolarHBondContact O-N 2.73Å; D118-S175 PolarHBondContact OD2-OG 2.64Å
119V92.7Very high95.3Very high5 Ų556.5 Ų56.53%0.0328%0.283CS..  trans-72.6123.9-176.61790000111.5L115 K116 K117 E123 L124 I173 S176L115-V119 HydrophobicContact CB-CB 4.41Å; L115-V119 HydrophobicContact CD2-CG1 4.3Å; K116-V119 PolarHBondContact O-N 3.01Å; K117-V119 VanDerWaalsContact C-N 3.33Å; V119-E123 VanDerWaalsContact CA-OE2 3.28Å; V119-E123 WeakPolarHBondContact CA-OE2 3.38Å; V119-E123 HydrophobicContact CG1-CB 4.4Å; V119-L124 HydrophobicContact CG1-CD1 3.32Å; V119-I173 HydrophobicContact CG1-CG2 3.99Å; V119-S176 WeakPolarHBondContact CG2-OG 3.3Å
120T92.6Very high95.2Very high58 Ų5859.5 Ų59.536%0.35630%0.296SS..  trans-96.6167.1179.783.20000112.7D118 E122 E123 L124D118-T120 PolarHBondContact O-N 2.73Å; T120-E122 VanDerWaalsContact C-N 3.27Å; T120-E122 WeakPolarHBondContact CB-OE2 3.26Å; T120-E122 PolarHBondContact O-N 3.09Å; T120-E122 PolarHBondContact OG1-N 3.43Å; T120-E122 PolarHBondContact OG1-OE2 3.24Å; T120-E123 PolarHBondContact N-OE2 3.09Å; T120-E123 PolarHBondContact O-N 2.98Å; T120-E123 PolarHBondContact OG1-N 2.92Å; T120-L124 PolarHBondContact O-N 3.25Å
121H92.9Very high95.2Very high74 Ų7460.8 Ų60.834%0.34330%0.301SS..Hα-helixtrans-70.3-25.617776.3-78.3000112.6R125 C137 V139H121-R125 WeakPolarHBondContact O-CB 3.38Å; H121-R125 PolarHBondContact O-N 3.41Å; H121-C137 PolarHBondContact O-SG 3.33Å; H121-V139 HydrophobicContact CB-CG2 4.04Å
122E94.6Very high95.2Very high104 Ų10459.9 Ų59.949%0.48630%0.303SS..Hα-helixtrans-65.2-47.4171.8-61.583.6173.800111.1T120 L124 R125 E126T120-E122 VanDerWaalsContact C-N 3.27Å; T120-E122 WeakPolarHBondContact CB-OE2 3.26Å; T120-E122 PolarHBondContact O-N 3.09Å; T120-E122 PolarHBondContact OG1-N 3.43Å; T120-E122 PolarHBondContact OG1-OE2 3.24Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 3.15Å; E122-R125 PolarHBondContact O-N 2.69Å; E122-E126 WeakPolarHBondContact O-CB 3.44Å; E122-E126 PolarHBondContact O-N 2.93Å
123E94.5Very high95.2Very high71 Ų7164.6 Ų64.633%0.33233%0.328SS..Hα-helixtrans-61.8-40.2176.2-67.2-176146.500111.8V119 T120 Y127 I173V119-E123 VanDerWaalsContact CA-OE2 3.28Å; V119-E123 WeakPolarHBondContact CA-OE2 3.38Å; V119-E123 HydrophobicContact CG1-CB 4.4Å; T120-E123 PolarHBondContact N-OE2 3.09Å; T120-E123 PolarHBondContact O-N 2.98Å; T120-E123 PolarHBondContact OG1-N 2.92Å; E123-Y127 VanDerWaalsContact O-CB 3.25Å; E123-Y127 WeakPolarHBondContact O-CB 3.38Å; E123-Y127 PolarHBondContact O-N 3.25Å; E123-I173 HydrophobicContact CB-CG2 4.46Å
124L95.2Very high95.3Very high0 Ų065.3 Ų65.30%033%0.33CS..Hα-helixtrans-60.8-49172.9-11074.8000111.4V112 L115 V119 T120 E122 Y127 F128 V139 V154 I173V112-L124 HydrophobicContact CB-CD2 4.31Å; V112-L124 HydrophobicContact CG2-CD2 4.41Å; L115-L124 HydrophobicContact CD1-CD1 3.59Å; L115-L124 HydrophobicContact CD1-CD2 3.93Å; L115-L124 HydrophobicContact CD1-CG 4.37Å; L115-L124 HydrophobicContact CD2-CD1 3.87Å; L115-L124 HydrophobicContact CG-CD1 4.37Å; V119-L124 HydrophobicContact CG1-CD1 3.32Å; T120-L124 PolarHBondContact O-N 3.25Å; E122-L124 VanDerWaalsContact C-N 3.32Å; E122-L124 PolarHBondContact O-N 3.15Å; L124-Y127 PolarHBondContact O-N 3.36Å; L124-F128 HydrophobicContact CG-CE2 4.45Å; L124-F128 WeakPolarHBondContact O-CB 3.41Å; L124-F128 VanDerWaalsContact O-CD2 3.31Å; L124-F128 WeakPolarHBondContact O-CD2 3.43Å; L124-F128 PolarHBondContact O-N 3Å; L124-V139 HydrophobicContact CD1-CG2 4.27Å; L124-V139 HydrophobicContact CD2-CG2 4.14Å; L124-V154 HydrophobicContact CD2-CG2 4.2Å; L124-I173 HydrophobicContact CD1-CD1 4.43Å; L124-I173 HydrophobicContact CD1-CG2 3.99Å
125R97Very high95.4Very high108 Ų10866.3 Ų66.341%0.40833%0.326SS..Hα-helixtrans-62.4-48.5-178.6175.2178.8-92.8157.9-7.6110.6H121 E122 Y127 F128 S129 I134 C137H121-R125 WeakPolarHBondContact O-CB 3.38Å; H121-R125 PolarHBondContact O-N 3.41Å; E122-R125 PolarHBondContact O-N 2.69Å; R125-Y127 PolarHBondContact O-N 3.33Å; R125-F128 PolarHBondContact O-N 3.15Å; R125-S129 VanDerWaalsContact O-CB 3.23Å; R125-S129 WeakPolarHBondContact O-CB 3.46Å; R125-S129 PolarHBondContact O-N 3.25Å; R125-I134 HydrophobicContact CG-CD1 4.13Å; R125-I134 VanDerWaalsContact O-CD1 3.28Å; R125-I134 WeakPolarHBondContact O-CD1 3.4Å; R125-C137 HydrophobicContact CB-CB 4.13Å
126E96.1Very high95.4Very high149 Ų14971.2 Ų71.270%0.69635%0.349SS*.Hα-helixtrans-57.9-49.9177.8-175.7177.8-178.400110.5E122 F128 S129E122-E126 WeakPolarHBondContact O-CB 3.44Å; E122-E126 PolarHBondContact O-N 2.93Å; E126-F128 PolarHBondContact O-N 3.25Å; E126-S129 PolarHBondContact O-N 3.04Å; E126-S129 PolarHBondContact O-OG 3.48Å
127Y97Very high95.6Very high47 Ų4767.2 Ų67.218%0.18433%0.333CS..Hα-helixtrans-61.2-43.4-178.8-177-93.1000113.3E123 L124 R125 K130 Y131 H171 H172 I173E123-Y127 VanDerWaalsContact O-CB 3.25Å; E123-Y127 WeakPolarHBondContact O-CB 3.38Å; E123-Y127 PolarHBondContact O-N 3.25Å; L124-Y127 PolarHBondContact O-N 3.36Å; R125-Y127 PolarHBondContact O-N 3.33Å; Y127-K130 VanDerWaalsContact O-CD 3.25Å; Y127-K130 WeakPolarHBondContact O-CD 3.19Å; Y127-K130 WeakPolarHBondContact O-CE 3.46Å; Y127-K130 VanDerWaalsContact O-CG 3.28Å; Y127-K130 WeakPolarHBondContact O-CG 3.31Å; Y127-K130 PolarHBondContact OH-NZ 3.2Å; Y127-Y131 HydrophobicContact CE1-CE2 4.26Å; Y127-H171 HydrophobicContact CE1-CB 3.9Å; Y127-H171 AromaticContact CE1-ND1 3.58Å; Y127-H171 AromaticContact CZ-ND1 3.89Å; Y127-H171 WeakPolarHBondContact OH-CA 3.41Å; Y127-H171 PolarHBondContact OH-ND1 2.86Å; Y127-H172 WeakPolarHBondContact CD2-O 3.21Å; Y127-H172 WeakPolarHBondContact CE2-O 3.25Å; Y127-I173 HydrophobicContact CD1-CD1 3.92Å; Y127-I173 HydrophobicContact CD1-CG1 3.72Å; Y127-I173 HydrophobicContact CD2-CG1 4.21Å; Y127-I173 HydrophobicContact CE1-CD1 4.31Å; Y127-I173 HydrophobicContact CE1-CG1 3.99Å; Y127-I173 HydrophobicContact CE2-CG1 4.45Å; Y127-I173 HydrophobicContact CG-CD1 4.4Å; Y127-I173 HydrophobicContact CG-CG1 3.84Å
128F97.6Very high95.8Very high0 Ų064.5 Ų64.50%032%0.323CS..Hα-helixtrans-85.6-16.4-176-77.3-69.3000114L110 V112 L124 R125 E126 K130 Y131 I134 V154 F156 A165 I173 V180L110-F128 HydrophobicContact CD2-CD1 3.85Å; L110-F128 HydrophobicContact CD2-CE1 3.49Å; L110-F128 VanDerWaalsContact CD2-CE1 3.49Å; L110-F128 HydrophobicContact CD2-CZ 3.89Å; V112-F128 HydrophobicContact CB-CE2 4.39Å; V112-F128 HydrophobicContact CG1-CE2 3.93Å; V112-F128 HydrophobicContact CG1-CZ 4.14Å; V112-F128 HydrophobicContact CG2-CD2 4.39Å; V112-F128 HydrophobicContact CG2-CE2 3.55Å; V112-F128 HydrophobicContact CG2-CZ 3.8Å; L124-F128 HydrophobicContact CG-CE2 4.45Å; L124-F128 WeakPolarHBondContact O-CB 3.41Å; L124-F128 VanDerWaalsContact O-CD2 3.31Å; L124-F128 WeakPolarHBondContact O-CD2 3.43Å; L124-F128 PolarHBondContact O-N 3Å; R125-F128 PolarHBondContact O-N 3.15Å; E126-F128 PolarHBondContact O-N 3.25Å; F128-K130 PolarHBondContact O-N 3.01Å; F128-K130 VanDerWaalsContact O-N 3.1Å; F128-Y131 AromaticContact CD1-CD2 3.75Å; F128-Y131 HydrophobicContact CD1-CD2 3.75Å; F128-Y131 AromaticContact CD1-CE2 3.83Å; F128-Y131 HydrophobicContact CD1-CE2 3.83Å; F128-Y131 HydrophobicContact CE1-CE2 4.2Å; F128-Y131 PolarHBondContact O-N 3.29Å; F128-I134 HydrophobicContact CB-CD1 3.86Å; F128-V154 HydrophobicContact CB-CG1 4.1Å; F128-V154 HydrophobicContact CB-CG2 4.39Å; F128-V154 HydrophobicContact CD2-CG2 3.73Å; F128-V154 HydrophobicContact CE2-CG2 4.33Å; F128-V154 HydrophobicContact CG-CG2 4.22Å; F128-F156 HydrophobicContact CB-CZ 4.03Å; F128-A165 HydrophobicContact CD1-CB 4.43Å; F128-A165 HydrophobicContact CE1-CB 4.22Å; F128-I173 HydrophobicContact CD2-CD1 4.34Å; F128-I173 HydrophobicContact CE2-CD1 3.41Å; F128-I173 VanDerWaalsContact CE2-CD1 3.41Å; F128-I173 HydrophobicContact CZ-CD1 3.82Å; F128-V180 HydrophobicContact CE1-CG1 4.25Å; F128-V180 HydrophobicContact CZ-CG1 3.82Å
129S97.1Very high96Very high66 Ų6661.8 Ų61.846%0.46231%0.309SS..Hα-helixtrans-58.6-25.117867.70000113.1R125 E126 Y131 G132R125-S129 VanDerWaalsContact O-CB 3.23Å; R125-S129 WeakPolarHBondContact O-CB 3.46Å; R125-S129 PolarHBondContact O-N 3.25Å; E126-S129 PolarHBondContact O-N 3.04Å; E126-S129 PolarHBondContact O-OG 3.48Å; S129-Y131 PolarHBondContact O-N 3.42Å; S129-G132 PolarHBondContact O-N 3.4Å; S129-G132 VanDerWaalsContact O-O 3.11Å
130K96.4Very high96.1Very high120 Ų12062.8 Ų62.852%0.52232%0.316SS..THydrogen-bonded Turntrans-66-18.4175.175.8-168.4176.9-175.50114.6Y127 F128Y127-K130 VanDerWaalsContact O-CD 3.25Å; Y127-K130 WeakPolarHBondContact O-CD 3.19Å; Y127-K130 WeakPolarHBondContact O-CE 3.46Å; Y127-K130 VanDerWaalsContact O-CG 3.28Å; Y127-K130 WeakPolarHBondContact O-CG 3.31Å; Y127-K130 PolarHBondContact OH-NZ 3.2Å; F128-K130 PolarHBondContact O-N 3.01Å; F128-K130 VanDerWaalsContact O-N 3.1Å
131Y96.9Very high96.1Very high28 Ų2862.1 Ų62.111%0.1132%0.316CS..THydrogen-bonded Turntrans-90.1-26.6179.1-65.8-81.5000112.5Y127 F128 S129 K164 A165 Y168 H171Y127-Y131 HydrophobicContact CE1-CE2 4.26Å; F128-Y131 AromaticContact CD1-CD2 3.75Å; F128-Y131 HydrophobicContact CD1-CD2 3.75Å; F128-Y131 AromaticContact CD1-CE2 3.83Å; F128-Y131 HydrophobicContact CD1-CE2 3.83Å; F128-Y131 HydrophobicContact CE1-CE2 4.2Å; F128-Y131 PolarHBondContact O-N 3.29Å; S129-Y131 PolarHBondContact O-N 3.42Å; Y131-K164 HydrophobicContact CD1-CB 4.13Å; Y131-K164 HydrophobicContact CD1-CD 4.07Å; Y131-K164 HydrophobicContact CD1-CG 3.87Å; Y131-K164 HydrophobicContact CE1-CG 4.35Å; Y131-A165 HydrophobicContact CD1-CB 4.36Å; Y131-A165 HydrophobicContact CD2-CB 4.42Å; Y131-A165 HydrophobicContact CE1-CB 4.46Å; Y131-A165 HydrophobicContact CE2-CB 4.49Å; Y131-A165 HydrophobicContact CG-CB 4.35Å; Y131-Y168 HydrophobicContact CE1-CG 4.5Å; Y131-H171 AromaticContact CZ-CE1 3.89Å; Y131-H171 PolarHBondContact OH-CE1 2.83Å; Y131-H171 VanDerWaalsContact OH-CE1 3.22Å; Y131-H171 PolarHBondContact OH-ND1 2.76Å
132G96.6Very high95.9Very high21 Ų2164.4 Ų64.422%0.21632%0.322CS..SBendtrans168.4179-176.600000112.2S129S129-G132 PolarHBondContact O-N 3.4Å; S129-G132 VanDerWaalsContact O-O 3.11Å
133N97.8Very high95.7Very high99 Ų9969.1 Ų69.153%0.52934%0.34SS..  trans-75.6126.1-177.1177.846.5000111.4F156 D157N133-F156 VanDerWaalsContact O-CA 3.28Å; N133-F156 WeakPolarHBondContact O-CA 3.48Å; N133-F156 WeakPolarHBondContact O-CD1 3.34Å; N133-D157 WeakPolarHBondContact CB-OD2 3.41Å; N133-D157 PolarHBondContact ND2-OD2 3.48Å; N133-D157 PolarHBondContact O-N 3.38Å; N133-D157 VanDerWaalsContact O-N 3.15Å
134I98.3Very high95.5Very high20 Ų2073.4 Ų73.410%0.10336%0.36CS..EExtended strand (participates in β ladder)trans-97.1121.8-175.8-64.8173.6000109.7R125 F128 E136 C137 V154 T155 F156R125-I134 HydrophobicContact CG-CD1 4.13Å; R125-I134 VanDerWaalsContact O-CD1 3.28Å; R125-I134 WeakPolarHBondContact O-CD1 3.4Å; F128-I134 HydrophobicContact CB-CD1 3.86Å; I134-E136 VanDerWaalsContact CG2-O 3.3Å; I134-E136 WeakPolarHBondContact CG2-O 3.32Å; I134-C137 HydrophobicContact CG2-CB 4.14Å; I134-V154 HydrophobicContact CB-CG1 4.48Å; I134-V154 HydrophobicContact CD1-CG1 3.69Å; I134-V154 HydrophobicContact CG1-CG1 3.76Å; I134-V154 HydrophobicContact CG2-CG1 3.94Å; I134-T155 CarbonylContact C-O 3.59Å; I134-T155 WeakPolarHBondContact CA-O 3.28Å; I134-F156 HydrophobicContact CD1-CE1 4.33Å; I134-F156 HydrophobicContact CG1-CD1 3.88Å; I134-F156 HydrophobicContact CG1-CE1 3.66Å; I134-F156 HydrophobicContact CG1-CZ 4.4Å
135T97.9Very high95.2Very high73 Ų7377 Ų7745%0.44839%0.386SS..EExtended strand (participates in β ladder)trans-87.8-38.6175.4540000111.9T155 D157T135-T155 PolarHBondContact N-O 3.01Å; T135-T155 WeakPolarHBondContact OG1-CG2 3.43Å; T135-T155 PolarHBondContact OG1-O 2.78Å; T135-T155 VanDerWaalsContact OG1-O 3.07Å; T135-D157 HydrophobicContact CG2-CB 3.84Å
136E97.1Very high94.8Very high114 Ų11474.6 Ų74.653%0.53339%0.394SS..EExtended strand (participates in β ladder)trans-141144179.1-55.8175.6167.400110.9I134 T155I134-E136 VanDerWaalsContact CG2-O 3.3Å; I134-E136 WeakPolarHBondContact CG2-O 3.32Å; E136-T155 PolarHBondContact N-O 3.44Å; E136-T155 PolarHBondContact O-N 2.67Å; E136-T155 PolarHBondContact OE2-OG1 2.88Å
137C96.5Very high94.4Very high18 Ų1871.4 Ų71.412%0.12238%0.379CS..EExtended strand (participates in β ladder)trans-144125.8174.5-175.60000109.1H121 R125 I134 F153H121-C137 PolarHBondContact O-SG 3.33Å; R125-C137 HydrophobicContact CB-CB 4.13Å; I134-C137 HydrophobicContact CG2-CB 4.14Å; C137-F153 WeakPolarHBondContact CA-O 3.38Å
138E95.1Very high94.2Very high86 Ų8670 Ų7040%0.40238%0.376SS..EExtended strand (participates in β ladder)trans-137.9137.4-178.860.1180160.500111.1K109 G152 F153K109-E138 IonicContact NZ-OE1 3.43Å; K109-E138 PolarHBondContact NZ-OE1 3.48Å; E138-G152 CarbonylContact O-C 3.49Å; E138-G152 WeakPolarHBondContact O-CA 3.42Å; E138-F153 HydrophobicContact CG-CB 3.86Å; E138-F153 HydrophobicContact CG-CD2 4.03Å; E138-F153 HydrophobicContact CG-CG 4.45Å; E138-F153 PolarHBondContact N-O 2.86Å; E138-F153 PolarHBondContact O-N 3.34Å; E138-F153 WeakPolarHBondContact OE1-CD2 3.46Å
139V95.4Very high94Very high36 Ų3675.5 Ų75.522%0.21840%0.397CS..EExtended strand (participates in β ladder)trans-102.2124.6163174.30000107L115 H121 L124 A141 S148L115-V139 HydrophobicContact CD1-CG2 4.49Å; H121-V139 HydrophobicContact CB-CG2 4.04Å; L124-V139 HydrophobicContact CD1-CG2 4.27Å; L124-V139 HydrophobicContact CD2-CG2 4.14Å; V139-A141 PolarHBondContact O-N 3.43Å; V139-S148 WeakPolarHBondContact CG1-OG 3.25Å
140V94.8Very high93.9Very high27 Ų2773.1 Ų73.116%0.16438%0.383CS..EExtended strand (participates in β ladder)trans-82122.5-174.1-170.10000109.3R149 F151 F153V140-R149 VanDerWaalsContact O-CB 3.27Å; V140-R149 WeakPolarHBondContact O-CB 3.26Å; V140-R149 WeakPolarHBondContact O-CG 3.44Å; V140-R149 PolarHBondContact O-N 3.34Å; V140-F151 HydrophobicContact CB-CD2 4.15Å; V140-F151 HydrophobicContact CB-CE1 4.26Å; V140-F151 HydrophobicContact CB-CE2 3.7Å; V140-F151 HydrophobicContact CB-CZ 3.76Å; V140-F151 HydrophobicContact CG1-CE1 4.44Å; V140-F151 HydrophobicContact CG1-CE2 4.09Å; V140-F151 HydrophobicContact CG1-CZ 3.78Å; V140-F151 HydrophobicContact CG2-CD2 3.8Å; V140-F151 HydrophobicContact CG2-CE2 3.4Å; V140-F151 VanDerWaalsContact CG2-CE2 3.4Å; V140-F151 HydrophobicContact CG2-CZ 3.98Å; V140-F151 PolarHBondContact N-O 3.15Å; V140-F153 HydrophobicContact CG2-CD2 3.91Å; V140-F153 HydrophobicContact CG2-CE2 3.8Å
141A92.9Very high93.9Very high43 Ų4369.2 Ų69.236%0.35537%0.366SS..EExtended strand (participates in β ladder)trans-107.5159.7175.700000112.5V139 G146 E147V139-A141 PolarHBondContact O-N 3.43Å; A141-G146 WeakPolarHBondContact CB-O 3.31Å; A141-E147 CarbonylContact C-O 3.58Å; A141-E147 WeakPolarHBondContact CA-O 3.37Å; A141-E147 WeakPolarHBondContact CB-O 3.39Å
142W89.8Confident93.8Very high123 Ų12367.9 Ų67.947%0.46636%0.361SS..  trans-66140.5166.3-67110.5000109.7E144 G146 E147 R149W142-E144 VanDerWaalsContact C-N 3.27Å; W142-E144 PolarHBondContact O-N 3.46Å; W142-G146 WeakPolarHBondContact O-CA 3.42Å; W142-G146 PolarHBondContact O-N 3.15Å; W142-E147 PolarHBondContact N-O 3.32Å; W142-R149 HydrophobicContact CD2-CG 3.81Å; W142-R149 HydrophobicContact CE3-CG 4.41Å; W142-R149 HydrophobicContact CG-CG 3.94Å; W142-R149 HydrophobicContact CZ2-CG 4.28Å
143K90.3Very high93.9Very high202 Ų20268.9 Ų68.988%0.87836%0.359SS*.THydrogen-bonded Turntrans-69.5-30.8-175.8-69.9-174.9176.7-175.20112
144E89.8Confident93.9Very high161 Ų16164.1 Ų64.175%0.75233%0.334SS*.THydrogen-bonded Turntrans-84.2-46.1-172.2-56.777.9-169.900111.8W142W142-E144 VanDerWaalsContact C-N 3.27Å; W142-E144 PolarHBondContact O-N 3.46Å
145S89.2Confident93.9Very high77 Ų7763.9 Ų63.954%0.53833%0.333SS..THydrogen-bonded Turntrans-99.1-15.5-175.8620000114.3E147S145-E147 PolarHBondContact O-N 3.29Å; S145-E147 VanDerWaalsContact OG-CB 3.23Å; S145-E147 WeakPolarHBondContact OG-CB 3.13Å; S145-E147 PolarHBondContact OG-N 2.86Å
146G87.9Confident93.9Very high56 Ų5660.6 Ų60.658%0.57731%0.313SS*.  trans68.15.1-169.100000113.6A141 W142A141-G146 WeakPolarHBondContact CB-O 3.31Å; W142-G146 WeakPolarHBondContact O-CA 3.42Å; W142-G146 PolarHBondContact O-N 3.15Å
147E88.5Confident93.9Very high83 Ų8359.7 Ų59.739%0.38831%0.312SS..  trans-76136.2-177.6-173.3177.6-152.100111.1K117 A141 W142 S145 R149K117-E147 HydrophobicContact CD-CG 4.23Å; K117-E147 VanDerWaalsContact CD-OE1 3.23Å; K117-E147 WeakPolarHBondContact CD-OE1 3.28Å; K117-E147 WeakPolarHBondContact CE-OE1 3.41Å; K117-E147 IonicContact NZ-OE1 2.61Å; K117-E147 PolarHBondContact NZ-OE1 3.06Å; A141-E147 CarbonylContact C-O 3.58Å; A141-E147 WeakPolarHBondContact CA-O 3.37Å; A141-E147 WeakPolarHBondContact CB-O 3.39Å; W142-E147 PolarHBondContact N-O 3.32Å; S145-E147 PolarHBondContact O-N 3.29Å; S145-E147 VanDerWaalsContact OG-CB 3.23Å; S145-E147 WeakPolarHBondContact OG-CB 3.13Å; S145-E147 PolarHBondContact OG-N 2.86Å; E147-R149 PolarHBondContact O-N 3.48Å
148S91.8Very high94Very high17 Ų1760.7 Ų60.712%0.11932%0.316CS..EExtended strand (participates in β ladder)trans-55.8131.5176.9178.10000111.7V139 G150V139-S148 WeakPolarHBondContact CG1-OG 3.25Å; S148-G150 PolarHBondContact O-N 3.13Å; S148-G150 PolarHBondContact OG-N 3.21Å
149R93.9Very high94.1Very high115 Ų11558.2 Ų58.243%0.43430%0.303SS..EExtended strand (participates in β ladder)trans-78.92.5173.4-60.6179.266.8-169.8-4.6112.5V140 W142 E147 F151V140-R149 VanDerWaalsContact O-CB 3.27Å; V140-R149 WeakPolarHBondContact O-CB 3.26Å; V140-R149 WeakPolarHBondContact O-CG 3.44Å; V140-R149 PolarHBondContact O-N 3.34Å; W142-R149 HydrophobicContact CD2-CG 3.81Å; W142-R149 HydrophobicContact CE3-CG 4.41Å; W142-R149 HydrophobicContact CG-CG 3.94Å; W142-R149 HydrophobicContact CZ2-CG 4.28Å; E147-R149 PolarHBondContact O-N 3.48Å; R149-F151 VanDerWaalsContact C-N 3.34Å; R149-F151 HydrophobicContact CB-CD1 3.75Å; R149-F151 HydrophobicContact CB-CE1 3.47Å; R149-F151 VanDerWaalsContact CB-CE1 3.47Å; R149-F151 HydrophobicContact CB-CZ 4.45Å; R149-F151 HydrophobicContact CG-CE1 4.36Å
150G94.7Very high94.2Very high16 Ų1657.2 Ų57.217%0.16530%0.297CS..EExtended strand (participates in β ladder)trans75.819.9178.500000114.7G114 L115 S148G114-G150 PolarHBondContact N-O 2.7Å; G114-G150 VanDerWaalsContact N-O 3.08Å; L115-G150 PolarHBondContact N-O 3.21Å; L115-G150 WeakPolarHBondContact O-CA 3.45Å; S148-G150 PolarHBondContact O-N 3.13Å; S148-G150 PolarHBondContact OG-N 3.21Å
151F96.1Very high94.3Very high38 Ų3856.3 Ų56.317%0.16729%0.291CS..EExtended strand (participates in β ladder)trans-147158.2171.671.2-85000111.5F111 V112 V140 R149 F153F111-F151 HydrophobicContact CD2-CD2 4.23Å; F111-F151 HydrophobicContact CE2-CB 3.85Å; F111-F151 AromaticContact CE2-CD2 3.52Å; F111-F151 HydrophobicContact CE2-CD2 3.52Å; F111-F151 HydrophobicContact CE2-CE2 4.28Å; F111-F151 AromaticContact CE2-CG 3.86Å; F111-F151 HydrophobicContact CE2-CG 3.86Å; F111-F151 HydrophobicContact CZ-CB 3.77Å; F111-F151 HydrophobicContact CZ-CD2 4.29Å; F111-F151 HydrophobicContact CZ-CG 4.18Å; V112-F151 CarbonylContact O-C 3.39Å; V112-F151 WeakPolarHBondContact O-CA 3.29Å; V112-F151 VanDerWaalsContact O-CB 3.32Å; V112-F151 WeakPolarHBondContact O-CB 3.22Å; V140-F151 HydrophobicContact CB-CD2 4.15Å; V140-F151 HydrophobicContact CB-CE1 4.26Å; V140-F151 HydrophobicContact CB-CE2 3.7Å; V140-F151 HydrophobicContact CB-CZ 3.76Å; V140-F151 HydrophobicContact CG1-CE1 4.44Å; V140-F151 HydrophobicContact CG1-CE2 4.09Å; V140-F151 HydrophobicContact CG1-CZ 3.78Å; V140-F151 HydrophobicContact CG2-CD2 3.8Å; V140-F151 HydrophobicContact CG2-CE2 3.4Å; V140-F151 VanDerWaalsContact CG2-CE2 3.4Å; V140-F151 HydrophobicContact CG2-CZ 3.98Å; V140-F151 PolarHBondContact N-O 3.15Å; R149-F151 VanDerWaalsContact C-N 3.34Å; R149-F151 HydrophobicContact CB-CD1 3.75Å; R149-F151 HydrophobicContact CB-CE1 3.47Å; R149-F151 VanDerWaalsContact CB-CE1 3.47Å; R149-F151 HydrophobicContact CB-CZ 4.45Å; R149-F151 HydrophobicContact CG-CE1 4.36Å; F151-F153 HydrophobicContact CD2-CE2 4.07Å; F151-F153 HydrophobicContact CD2-CZ 4.35Å; F151-F153 AromaticContact CE2-CE2 3.76Å; F151-F153 HydrophobicContact CE2-CE2 3.76Å; F151-F153 HydrophobicContact CE2-CZ 4.1Å
152G96.5Very high94.5Very high0 Ų054.2 Ų54.20%027%0.274CS..EExtended strand (participates in β ladder)trans-145.1178.6178.500000111.7V112 E138V112-G152 PolarHBondContact N-O 2.97Å; V112-G152 PolarHBondContact O-N 2.81Å; E138-G152 CarbonylContact O-C 3.49Å; E138-G152 WeakPolarHBondContact O-CA 3.42Å
153F97.7Very high94.8Very high42 Ų4248.5 Ų48.518%0.18425%0.252CS..EExtended strand (participates in β ladder)trans-132.2143.3173.7-59.5-87.8000111K109 L110 F111 C137 E138 V140 F151 A183K109-F153 HydrophobicContact CD-CB 4.38Å; K109-F153 HydrophobicContact CD-CD1 4.39Å; K109-F153 VanDerWaalsContact CE-CG 3.44Å; K109-F153 HydrophobicContact CG-CB 4.29Å; K109-F153 HydrophobicContact CG-CD1 4.32Å; L110-F153 VanDerWaalsContact O-CA 3.28Å; L110-F153 WeakPolarHBondContact O-CA 3.42Å; F111-F153 HydrophobicContact CB-CD1 4.27Å; F111-F153 HydrophobicContact CB-CE1 4.15Å; F111-F153 HydrophobicContact CD2-CD1 4.33Å; F111-F153 AromaticContact CD2-CE1 3.68Å; F111-F153 HydrophobicContact CD2-CE1 3.68Å; F111-F153 AromaticContact CD2-CZ 3.99Å; F111-F153 HydrophobicContact CD2-CZ 3.99Å; F111-F153 HydrophobicContact CG-CE1 4.41Å; C137-F153 WeakPolarHBondContact CA-O 3.38Å; E138-F153 HydrophobicContact CG-CB 3.86Å; E138-F153 HydrophobicContact CG-CD2 4.03Å; E138-F153 HydrophobicContact CG-CG 4.45Å; E138-F153 PolarHBondContact N-O 2.86Å; E138-F153 PolarHBondContact O-N 3.34Å; E138-F153 WeakPolarHBondContact OE1-CD2 3.46Å; V140-F153 HydrophobicContact CG2-CD2 3.91Å; V140-F153 HydrophobicContact CG2-CE2 3.8Å; F151-F153 HydrophobicContact CD2-CE2 4.07Å; F151-F153 HydrophobicContact CD2-CZ 4.35Å; F151-F153 AromaticContact CE2-CE2 3.76Å; F151-F153 HydrophobicContact CE2-CE2 3.76Å; F151-F153 HydrophobicContact CE2-CZ 4.1Å; F153-A183 HydrophobicContact CD1-CB 3.87Å; F153-A183 HydrophobicContact CE1-CB 4.01Å
154V98Very high95.1Very high0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-123.7119.1172.6-1770000107.6K109 L110 V112 L124 F128 I134 F156K109-V154 CarbonylContact C-O 3.54Å; K109-V154 WeakPolarHBondContact CA-O 3.37Å; L110-V154 HydrophobicContact CB-CB 4.43Å; L110-V154 PolarHBondContact N-O 2.95Å; L110-V154 PolarHBondContact O-N 2.75Å; V112-V154 HydrophobicContact CG2-CG2 4.17Å; L124-V154 HydrophobicContact CD2-CG2 4.2Å; F128-V154 HydrophobicContact CB-CG1 4.1Å; F128-V154 HydrophobicContact CB-CG2 4.39Å; F128-V154 HydrophobicContact CD2-CG2 3.73Å; F128-V154 HydrophobicContact CE2-CG2 4.33Å; F128-V154 HydrophobicContact CG-CG2 4.22Å; I134-V154 HydrophobicContact CB-CG1 4.48Å; I134-V154 HydrophobicContact CD1-CG1 3.69Å; I134-V154 HydrophobicContact CG1-CG1 3.76Å; I134-V154 HydrophobicContact CG2-CG1 3.94Å; V154-F156 HydrophobicContact CB-CE2 4.33Å; V154-F156 HydrophobicContact CG1-CD2 4.28Å; V154-F156 HydrophobicContact CG1-CE1 4.29Å; V154-F156 HydrophobicContact CG1-CE2 3.77Å; V154-F156 HydrophobicContact CG1-CZ 3.79Å
155T98.1Very high95.4Very high15 Ų1532.9 Ų32.99%0.09218%0.182CC..EExtended strand (participates in β ladder)trans-100.8125.1174.2-48.60000108.4K109 I134 T135 E136K109-T155 HydrophobicContact CB-CG2 4.47Å; I134-T155 CarbonylContact C-O 3.59Å; I134-T155 WeakPolarHBondContact CA-O 3.28Å; T135-T155 PolarHBondContact N-O 3.01Å; T135-T155 WeakPolarHBondContact OG1-CG2 3.43Å; T135-T155 PolarHBondContact OG1-O 2.78Å; T135-T155 VanDerWaalsContact OG1-O 3.07Å; E136-T155 PolarHBondContact N-O 3.44Å; E136-T155 PolarHBondContact O-N 2.67Å; E136-T155 PolarHBondContact OE2-OG1 2.88Å
156F98.4Very high95.6Very high3 Ų329.8 Ų29.81%0.01316%0.159CC..EExtended strand (participates in β ladder)trans-96.6166.7172.8-63.4-87.5000110.6T108 L110 F128 N133 I134 V154 D158 P161 V162T108-F156 WeakPolarHBondContact CB-O 3.45Å; T108-F156 PolarHBondContact O-N 3.19Å; L110-F156 HydrophobicContact CB-CE2 4.24Å; L110-F156 HydrophobicContact CD2-CE2 4.39Å; F128-F156 HydrophobicContact CB-CZ 4.03Å; N133-F156 VanDerWaalsContact O-CA 3.28Å; N133-F156 WeakPolarHBondContact O-CA 3.48Å; N133-F156 WeakPolarHBondContact O-CD1 3.34Å; I134-F156 HydrophobicContact CD1-CE1 4.33Å; I134-F156 HydrophobicContact CG1-CD1 3.88Å; I134-F156 HydrophobicContact CG1-CE1 3.66Å; I134-F156 HydrophobicContact CG1-CZ 4.4Å; V154-F156 HydrophobicContact CB-CE2 4.33Å; V154-F156 HydrophobicContact CG1-CD2 4.28Å; V154-F156 HydrophobicContact CG1-CE1 4.29Å; V154-F156 HydrophobicContact CG1-CE2 3.77Å; V154-F156 HydrophobicContact CG1-CZ 3.79Å; F156-D158 VanDerWaalsContact C-N 3.3Å; F156-D158 WeakPolarHBondContact CB-O 3.28Å; F156-P161 HydrophobicContact CB-CB 4.14Å; F156-P161 HydrophobicContact CB-CG 4.25Å; F156-P161 HydrophobicContact CD1-CB 3.46Å; F156-P161 VanDerWaalsContact CD1-CB 3.46Å; F156-P161 HydrophobicContact CD1-CG 4.04Å; F156-P161 HydrophobicContact CD2-CB 3.97Å; F156-P161 HydrophobicContact CE1-CB 3.69Å; F156-P161 HydrophobicContact CE2-CB 4.17Å; F156-P161 HydrophobicContact CG-CB 3.59Å; F156-P161 HydrophobicContact CG-CG 4.19Å; F156-P161 HydrophobicContact CZ-CB 4.03Å; F156-V162 HydrophobicContact CD2-CG2 3.74Å; F156-V162 HydrophobicContact CE2-CG2 4.27Å
157D97.4Very high95.8Very high95 Ų9527.9 Ų27.951%0.50814%0.136SC..SBendtrans-78.7-15.5170.160.4-4.4000113.4N133 T135N133-D157 WeakPolarHBondContact CB-OD2 3.41Å; N133-D157 PolarHBondContact ND2-OD2 3.48Å; N133-D157 PolarHBondContact O-N 3.38Å; N133-D157 VanDerWaalsContact O-N 3.15Å; T135-D157 HydrophobicContact CG2-CB 3.84Å
158D97.8Very high96Very high40 Ų4027.5 Ų27.521%0.21413%0.131CC..SBendtrans-134163.6178.9178.948.1000112.2R78 F156 D160 P161R78-D158 IonicContact CZ-OD1 2.75Å; R78-D158 IonicContact CZ-OD2 2.58Å; R78-D158 IonicContact NH1-OD1 2.67Å; R78-D158 PolarHBondContact NH1-OD1 3.38Å; R78-D158 IonicContact NH1-OD2 3.01Å; R78-D158 PolarHBondContact NH1-OD2 2.88Å; R78-D158 VanDerWaalsContact NH2-CG 3.3Å; R78-D158 IonicContact NH2-OD1 3.6Å; R78-D158 PolarHBondContact NH2-OD1 2.92Å; R78-D158 IonicContact NH2-OD2 2.65Å; R78-D158 PolarHBondContact NH2-OD2 3.37Å; F156-D158 VanDerWaalsContact C-N 3.3Å; F156-D158 WeakPolarHBondContact CB-O 3.28Å; D158-D160 WeakPolarHBondContact OD2-CB 3.12Å; D158-D160 PolarHBondContact OD2-N 3.42Å; D158-P161 WeakPolarHBondContact OD2-CD 3.27Å
159Y96.8Very high95.9Very high34 Ų3430.8 Ų30.813%0.13314%0.144CC..SBendtrans-85.4-23.4178.565.8-100.4000113.9R78 A89 K90 T106 V107 V162 D163R78-Y159 VanDerWaalsContact CD-OH 3.31Å; R78-Y159 WeakPolarHBondContact CD-OH 3.32Å; R78-Y159 PolarHBondContact NH1-OH 3.3Å; R78-Y159 VanDerWaalsContact NH1-OH 3.09Å; A89-Y159 PolarHBondContact O-OH 2.89Å; A89-Y159 VanDerWaalsContact O-OH 3.09Å; K90-Y159 HydrophobicContact CG-CE2 4.06Å; T106-Y159 HydrophobicContact CG2-CD1 3.5Å; T106-Y159 HydrophobicContact CG2-CD2 4.33Å; T106-Y159 HydrophobicContact CG2-CE1 4.01Å; T106-Y159 HydrophobicContact CG2-CG 3.67Å; V107-Y159 WeakPolarHBondContact O-CB 3.31Å; Y159-V162 WeakPolarHBondContact O-CB 3.09Å; Y159-V162 PolarHBondContact O-N 3.39Å; Y159-V162 VanDerWaalsContact O-N 3.15Å; Y159-D163 PolarHBondContact O-N 3.12Å
160D97.7Very high95.9Very high15 Ų1528.5 Ų28.58%0.0814%0.144CC..Hα-helixtrans-61.1-40.8-178.9-177.958.7000112.8Q75 R91 D158 V162 D163 K164Q75-D160 HydrophobicContact CB-CB 4.41Å; Q75-D160 HydrophobicContact CG-CB 4.48Å; Q75-D160 VanDerWaalsContact CG-OD1 3.31Å; Q75-D160 WeakPolarHBondContact CG-OD1 3.48Å; R91-D160 WeakPolarHBondContact CG-OD1 3.41Å; R91-D160 IonicContact CZ-OD1 2.76Å; R91-D160 IonicContact CZ-OD2 2.95Å; R91-D160 IonicContact NE-OD1 3.24Å; R91-D160 PolarHBondContact NE-OD1 3.08Å; R91-D160 IonicContact NE-OD2 2.73Å; R91-D160 IonicContact NH2-OD1 3.55Å; R91-D160 PolarHBondContact NH2-OD1 2.81Å; R91-D160 IonicContact NH2-OD2 2.81Å; R91-D160 PolarHBondContact NH2-OD2 2.89Å; D158-D160 WeakPolarHBondContact OD2-CB 3.12Å; D158-D160 PolarHBondContact OD2-N 3.42Å; D160-V162 PolarHBondContact O-N 3.09Å; D160-D163 PolarHBondContact O-N 2.76Å; D160-D163 VanDerWaalsContact O-N 3.13Å; D160-K164 WeakPolarHBondContact O-CB 2.99Å; D160-K164 PolarHBondContact O-N 2.8Å
161P97.7Very high96Very high7 Ų727.8 Ų27.85%0.04514%0.136CC..Hα-helixtrans-57.3-34174.6-28.136.6000113.6F156 D158 A165F156-P161 HydrophobicContact CB-CB 4.14Å; F156-P161 HydrophobicContact CB-CG 4.25Å; F156-P161 HydrophobicContact CD1-CB 3.46Å; F156-P161 VanDerWaalsContact CD1-CB 3.46Å; F156-P161 HydrophobicContact CD1-CG 4.04Å; F156-P161 HydrophobicContact CD2-CB 3.97Å; F156-P161 HydrophobicContact CE1-CB 3.69Å; F156-P161 HydrophobicContact CE2-CB 4.17Å; F156-P161 HydrophobicContact CG-CB 3.59Å; F156-P161 HydrophobicContact CG-CG 4.19Å; F156-P161 HydrophobicContact CZ-CB 4.03Å; D158-P161 WeakPolarHBondContact OD2-CD 3.27Å; P161-A165 VanDerWaalsContact O-CB 3.29Å; P161-A165 WeakPolarHBondContact O-CB 3.25Å; P161-A165 PolarHBondContact O-N 3.37Å
162V97.2Very high95.9Very high0 Ų031.1 Ų31.10%015%0.152CC..Hα-helixtrans-67.4-48.7176177.70000110.5V107 T108 L110 F156 Y159 D160 K164 A165 I166 K182V107-V162 HydrophobicContact CG2-CG1 4.1Å; V107-V162 WeakPolarHBondContact O-CG2 3.3Å; T108-V162 WeakPolarHBondContact O-CG2 3.29Å; L110-V162 HydrophobicContact CB-CG2 4.44Å; L110-V162 HydrophobicContact CD1-CG1 3.85Å; F156-V162 HydrophobicContact CD2-CG2 3.74Å; F156-V162 HydrophobicContact CE2-CG2 4.27Å; Y159-V162 WeakPolarHBondContact O-CB 3.09Å; Y159-V162 PolarHBondContact O-N 3.39Å; Y159-V162 VanDerWaalsContact O-N 3.15Å; D160-V162 PolarHBondContact O-N 3.09Å; V162-K164 VanDerWaalsContact C-N 3.32Å; V162-K164 PolarHBondContact O-N 3.2Å; V162-A165 PolarHBondContact O-N 2.83Å; V162-I166 HydrophobicContact CG1-CD1 3.94Å; V162-I166 VanDerWaalsContact O-CG1 3.29Å; V162-I166 WeakPolarHBondContact O-CG1 3.39Å; V162-I166 PolarHBondContact O-N 2.87Å; V162-K182 HydrophobicContact CG1-CG 4.04Å
163D95.7Very high95.8Very high2 Ų231.2 Ų31.21%0.01115%0.152CC..Hα-helixtrans-61.3-43.5178-69.6-16.3000110.7R91 Y159 D160 I166 L167 K182R91-D163 HydrophobicContact CB-CB 4.12Å; R91-D163 HydrophobicContact CG-CB 4.18Å; Y159-D163 PolarHBondContact O-N 3.12Å; D160-D163 PolarHBondContact O-N 2.76Å; D160-D163 VanDerWaalsContact O-N 3.13Å; D163-I166 PolarHBondContact O-N 2.65Å; D163-L167 WeakPolarHBondContact O-CG 3.33Å; D163-L167 PolarHBondContact O-N 3.35Å; D163-L167 VanDerWaalsContact O-N 3.15Å; D163-K182 VanDerWaalsContact OD1-CE 3.3Å; D163-K182 WeakPolarHBondContact OD1-CE 3.49Å; D163-K182 IonicContact OD1-NZ 2.78Å; D163-K182 PolarHBondContact OD1-NZ 2.85Å
164K95.8Very high95.3Very high36 Ų3631.9 Ų31.916%0.15717%0.171CC..Hα-helixtrans-61.9-47.2176.3-162.5175.9-173.2160.20111.3D72 Y131 D160 V162 I166 L167 Y168D72-K164 IonicContact OD1-NZ 2.86Å; D72-K164 PolarHBondContact OD1-NZ 2.86Å; D72-K164 IonicContact OD2-NZ 3.43Å; D72-K164 PolarHBondContact OD2-NZ 2.81Å; Y131-K164 HydrophobicContact CD1-CB 4.13Å; Y131-K164 HydrophobicContact CD1-CD 4.07Å; Y131-K164 HydrophobicContact CD1-CG 3.87Å; Y131-K164 HydrophobicContact CE1-CG 4.35Å; D160-K164 WeakPolarHBondContact O-CB 2.99Å; D160-K164 PolarHBondContact O-N 2.8Å; V162-K164 VanDerWaalsContact C-N 3.32Å; V162-K164 PolarHBondContact O-N 3.2Å; K164-I166 VanDerWaalsContact C-N 3.33Å; K164-I166 PolarHBondContact O-N 3.28Å; K164-L167 PolarHBondContact O-N 3.1Å; K164-Y168 HydrophobicContact CG-CD2 3.93Å; K164-Y168 HydrophobicContact CG-CE2 3.89Å; K164-Y168 WeakPolarHBondContact O-CD2 3.31Å; K164-Y168 PolarHBondContact O-N 2.95Å; K164-Y168 VanDerWaalsContact O-N 3.12Å
165A95.9Very high94.9Very high0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-57.5-47.3177.400000111L110 F128 Y131 P161 V162 L167 Y168 H171L110-A165 HydrophobicContact CD1-CB 4.28Å; L110-A165 HydrophobicContact CD2-CB 3.79Å; F128-A165 HydrophobicContact CD1-CB 4.43Å; F128-A165 HydrophobicContact CE1-CB 4.22Å; Y131-A165 HydrophobicContact CD1-CB 4.36Å; Y131-A165 HydrophobicContact CD2-CB 4.42Å; Y131-A165 HydrophobicContact CE1-CB 4.46Å; Y131-A165 HydrophobicContact CE2-CB 4.49Å; Y131-A165 HydrophobicContact CG-CB 4.35Å; P161-A165 VanDerWaalsContact O-CB 3.29Å; P161-A165 WeakPolarHBondContact O-CB 3.25Å; P161-A165 PolarHBondContact O-N 3.37Å; V162-A165 PolarHBondContact O-N 2.83Å; A165-L167 VanDerWaalsContact C-N 3.26Å; A165-L167 PolarHBondContact O-N 3.22Å; A165-Y168 PolarHBondContact O-N 2.92Å; A165-H171 PolarHBondContact O-CE1 3.21Å; A165-H171 PolarHBondContact O-NE2 3.37Å
166I94Very high94.6Very high11 Ų1134.2 Ų34.26%0.05619%0.188CC..Hα-helixtrans-62.5-33.2-178.2-65.9166.1000112.7M93 L110 V162 D163 K164 K169 V180 K182M93-I166 HydrophobicContact CE-CG2 3.46Å; M93-I166 VanDerWaalsContact CE-CG2 3.46Å; M93-I166 HydrophobicContact SD-CG2 4.33Å; L110-I166 HydrophobicContact CD1-CD1 4.26Å; L110-I166 HydrophobicContact CD1-CG1 3.91Å; V162-I166 HydrophobicContact CG1-CD1 3.94Å; V162-I166 VanDerWaalsContact O-CG1 3.29Å; V162-I166 WeakPolarHBondContact O-CG1 3.39Å; V162-I166 PolarHBondContact O-N 2.87Å; D163-I166 PolarHBondContact O-N 2.65Å; K164-I166 VanDerWaalsContact C-N 3.33Å; K164-I166 PolarHBondContact O-N 3.28Å; I166-K169 WeakPolarHBondContact O-CE 2.98Å; I166-K169 WeakPolarHBondContact O-CG 3.49Å; I166-V180 HydrophobicContact CG1-CG2 4.19Å; I166-K182 HydrophobicContact CD1-CB 4.48Å; I166-K182 HydrophobicContact CD1-CD 4.4Å; I166-K182 HydrophobicContact CD1-CG 3.52Å
167L92.6Very high94.4Very high16 Ų1642.7 Ų42.78%0.08422%0.22CC..Hα-helixtrans-72.8-40.6176.9-70.6175.5000112.7Q15 F16 R91 M93 P94 D163 K164 A165 K169Q15-L167 HydrophobicContact CG-CD2 3.95Å; F16-L167 HydrophobicContact CD1-CB 4.28Å; F16-L167 HydrophobicContact CE1-CB 4.12Å; F16-L167 WeakPolarHBondContact CE1-O 3.44Å; R91-L167 HydrophobicContact CB-CD1 3.49Å; R91-L167 VanDerWaalsContact CB-CD1 3.49Å; R91-L167 HydrophobicContact CG-CD1 4.26Å; M93-L167 HydrophobicContact SD-CD2 4.37Å; P94-L167 HydrophobicContact CG-CD2 4.14Å; D163-L167 WeakPolarHBondContact O-CG 3.33Å; D163-L167 PolarHBondContact O-N 3.35Å; D163-L167 VanDerWaalsContact O-N 3.15Å; K164-L167 PolarHBondContact O-N 3.1Å; A165-L167 VanDerWaalsContact C-N 3.26Å; A165-L167 PolarHBondContact O-N 3.22Å; L167-K169 PolarHBondContact O-N 2.73Å
168Y91.9Very high94.3Very high75 Ų7538.6 Ų38.629%0.29420%0.199SC..SBendtrans-87.252.3-172.9-76.2-103.8000112.8F16 Y131 K164 A165 H171F16-Y168 AromaticContact CD1-CD2 3.97Å; F16-Y168 HydrophobicContact CD1-CD2 3.97Å; F16-Y168 HydrophobicContact CD1-CE1 4.2Å; F16-Y168 AromaticContact CD1-CE2 3.58Å; F16-Y168 HydrophobicContact CD1-CE2 3.58Å; F16-Y168 HydrophobicContact CD1-CG 4.47Å; F16-Y168 AromaticContact CD1-CZ 3.71Å; F16-Y168 HydrophobicContact CE1-CD1 4.25Å; F16-Y168 AromaticContact CE1-CD2 3.93Å; F16-Y168 HydrophobicContact CE1-CD2 3.93Å; F16-Y168 HydrophobicContact CE1-CE1 4.31Å; F16-Y168 HydrophobicContact CE1-CE2 4.02Å; F16-Y168 HydrophobicContact CE1-CG 4.08Å; F16-Y168 HydrophobicContact CG-CE2 4.5Å; Y131-Y168 HydrophobicContact CE1-CG 4.5Å; K164-Y168 HydrophobicContact CG-CD2 3.93Å; K164-Y168 HydrophobicContact CG-CE2 3.89Å; K164-Y168 WeakPolarHBondContact O-CD2 3.31Å; K164-Y168 PolarHBondContact O-N 2.95Å; K164-Y168 VanDerWaalsContact O-N 3.12Å; A165-Y168 PolarHBondContact O-N 2.92Å; Y168-H171 PolarHBondContact O-CE1 2.8Å
169K90.1Very high94.2Very high87 Ų8740.6 Ų40.638%0.37821%0.21SC..PPolyproline II helixtrans-80.4154.1171.7-70178.9-176.2-164.90111.3I166 L167 D179 V180I166-K169 WeakPolarHBondContact O-CE 2.98Å; I166-K169 WeakPolarHBondContact O-CG 3.49Å; L167-K169 PolarHBondContact O-N 2.73Å; K169-D179 IonicContact NZ-OD1 3.34Å; K169-D179 PolarHBondContact NZ-OD1 2.96Å; K169-V180 WeakPolarHBondContact CE-O 3.44Å; K169-V180 HydrophobicContact CG-CG2 4.34Å; K169-V180 PolarHBondContact NZ-O 2.82Å
170P93.3Very high94.1Very high67 Ų6739 Ų3944%0.43520%0.204SC..PPolyproline II helixcis-82.6151.7-2.833.5-35.5000113.4
171H96.1Very high93.9Very high0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-96.1130.6173.8-58.2-70.2000111.7Y127 Y131 A165 Y168 R177 A178 V180Y127-H171 HydrophobicContact CE1-CB 3.9Å; Y127-H171 AromaticContact CE1-ND1 3.58Å; Y127-H171 AromaticContact CZ-ND1 3.89Å; Y127-H171 WeakPolarHBondContact OH-CA 3.41Å; Y127-H171 PolarHBondContact OH-ND1 2.86Å; Y131-H171 AromaticContact CZ-CE1 3.89Å; Y131-H171 PolarHBondContact OH-CE1 2.83Å; Y131-H171 VanDerWaalsContact OH-CE1 3.22Å; Y131-H171 PolarHBondContact OH-ND1 2.76Å; A165-H171 PolarHBondContact O-CE1 3.21Å; A165-H171 PolarHBondContact O-NE2 3.37Å; Y168-H171 PolarHBondContact O-CE1 2.8Å; H171-R177 CarbonylContact O-C 3.45Å; H171-R177 WeakPolarHBondContact O-CA 3.36Å; H171-A178 HydrophobicContact CB-CB 4.2Å; H171-A178 PolarHBondContact O-N 2.92Å; H171-V180 VanDerWaalsContact CD2-CG1 3.45Å; H171-V180 WeakPolarHBondContact CD2-CG1 3.28Å; H171-V180 VanDerWaalsContact CD2-CG2 3.44Å; H171-V180 WeakPolarHBondContact CD2-CG2 3.09Å; H171-V180 VanDerWaalsContact NE2-CG2 3.26Å; H171-V180 WeakPolarHBondContact NE2-CG2 3.23Å
172H95.1Very high93.8Very high108 Ų10842.9 Ų42.950%0.522%0.219SC..EExtended strand (participates in β ladder)trans-115.2114.5174.8-64.689.2000108.5Y127 S176Y127-H172 WeakPolarHBondContact CD2-O 3.21Å; Y127-H172 WeakPolarHBondContact CE2-O 3.25Å; H172-S176 WeakPolarHBondContact CA-O 3.42Å
173I93.6Very high93.7Very high2 Ų243.3 Ų43.31%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-126.3111.1-174.9-50.1175.7000107.1V112 L115 V119 E123 L124 Y127 F128 S175 S176 A178V112-I173 HydrophobicContact CG1-CD1 3.94Å; L115-I173 HydrophobicContact CD2-CD1 4.25Å; V119-I173 HydrophobicContact CG1-CG2 3.99Å; E123-I173 HydrophobicContact CB-CG2 4.46Å; L124-I173 HydrophobicContact CD1-CD1 4.43Å; L124-I173 HydrophobicContact CD1-CG2 3.99Å; Y127-I173 HydrophobicContact CD1-CD1 3.92Å; Y127-I173 HydrophobicContact CD1-CG1 3.72Å; Y127-I173 HydrophobicContact CD2-CG1 4.21Å; Y127-I173 HydrophobicContact CE1-CD1 4.31Å; Y127-I173 HydrophobicContact CE1-CG1 3.99Å; Y127-I173 HydrophobicContact CE2-CG1 4.45Å; Y127-I173 HydrophobicContact CG-CD1 4.4Å; Y127-I173 HydrophobicContact CG-CG1 3.84Å; F128-I173 HydrophobicContact CD2-CD1 4.34Å; F128-I173 HydrophobicContact CE2-CD1 3.41Å; F128-I173 VanDerWaalsContact CE2-CD1 3.41Å; F128-I173 HydrophobicContact CZ-CD1 3.82Å; I173-S175 PolarHBondContact O-N 3.15Å; I173-S176 PolarHBondContact N-O 2.81Å; I173-S176 WeakPolarHBondContact O-CA 3.11Å; I173-S176 VanDerWaalsContact O-CB 3.25Å; I173-S176 WeakPolarHBondContact O-CB 3.22Å; I173-S176 PolarHBondContact O-N 3.33Å; I173-A178 HydrophobicContact CD1-CB 3.78Å; I173-A178 HydrophobicContact CG1-CB 4.27Å
174G88.4Confident93.3Very high57 Ų5744.6 Ų44.659%0.58823%0.229SC*.THydrogen-bonded Turntrans54.2-125.1-166.100000110.5S176G174-S176 VanDerWaalsContact C-N 3.34Å
175S88.7Confident92.9Very high61 Ų6145.3 Ų45.343%0.42724%0.239SC..THydrogen-bonded Turntrans-90.14.9176.976.20000114K116 D118 I173K116-S175 WeakPolarHBondContact CD-OG 3.36Å; K116-S175 WeakPolarHBondContact CE-O 3.28Å; K116-S175 VanDerWaalsContact NZ-CB 3.32Å; K116-S175 PolarHBondContact NZ-O 2.89Å; K116-S175 PolarHBondContact NZ-OG 3.18Å; D118-S175 PolarHBondContact OD2-OG 2.64Å; I173-S175 PolarHBondContact O-N 3.15Å
176S91.8Very high92.4Very high2 Ų253.8 Ų53.81%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-97.6144.1-173.6-52.90000112.8K116 V119 H172 I173 G174K116-S176 VanDerWaalsContact CB-OG 3.3Å; K116-S176 WeakPolarHBondContact CB-OG 3.49Å; K116-S176 WeakPolarHBondContact CG-OG 3.33Å; K116-S176 PolarHBondContact N-OG 2.58Å; V119-S176 WeakPolarHBondContact CG2-OG 3.3Å; H172-S176 WeakPolarHBondContact CA-O 3.42Å; I173-S176 PolarHBondContact N-O 2.81Å; I173-S176 WeakPolarHBondContact O-CA 3.11Å; I173-S176 VanDerWaalsContact O-CB 3.25Å; I173-S176 WeakPolarHBondContact O-CB 3.22Å; I173-S176 PolarHBondContact O-N 3.33Å; G174-S176 VanDerWaalsContact C-N 3.34Å
177R95Very high92Very high182 Ų18260.5 Ų60.569%0.68731%0.307SS*.EExtended strand (participates in β ladder)trans-100.397.6165.4-178.4176.5173.5164.8-1.1108.3H171H171-R177 CarbonylContact O-C 3.45Å; H171-R177 WeakPolarHBondContact O-CA 3.36Å
178A95.7Very high91.6Very high8 Ų863 Ų637%0.06632%0.318CS..EExtended strand (participates in β ladder)trans-81.3141.5-172.900000112.1V112 G113 L115 H171 I173V112-A178 HydrophobicContact CG1-CB 3.79Å; G113-A178 CarbonylContact O-C 3.6Å; G113-A178 VanDerWaalsContact O-CA 3.25Å; G113-A178 WeakPolarHBondContact O-CA 3.44Å; L115-A178 HydrophobicContact CD2-CB 4.03Å; H171-A178 HydrophobicContact CB-CB 4.2Å; H171-A178 PolarHBondContact O-N 2.92Å; I173-A178 HydrophobicContact CD1-CB 3.78Å; I173-A178 HydrophobicContact CG1-CB 4.27Å
179D94.8Very high91.3Very high83 Ų8362.5 Ų62.544%0.44432%0.32SS..EExtended strand (participates in β ladder)trans-99.1137165.9-176.756.7000109.7G113 K169G113-D179 PolarHBondContact N-O 2.98Å; G113-D179 PolarHBondContact O-N 2.8Å; K169-D179 IonicContact NZ-OD1 3.34Å; K169-D179 PolarHBondContact NZ-OD1 2.96Å
180V95.2Very high91.2Very high0 Ų062.8 Ų62.80%033%0.325CS..EExtended strand (participates in β ladder)trans-124.3142.6-178.3-58.10000111.7L110 F111 V112 F128 I166 K169 H171L110-V180 HydrophobicContact CD1-CB 4.08Å; L110-V180 HydrophobicContact CD2-CB 4.34Å; L110-V180 HydrophobicContact CD2-CG1 4.19Å; L110-V180 HydrophobicContact CG-CB 4.32Å; F111-V180 VanDerWaalsContact O-CA 3.32Å; F111-V180 WeakPolarHBondContact O-CA 3.26Å; V112-V180 HydrophobicContact CG1-CG1 4.31Å; V112-V180 HydrophobicContact CG2-CG1 4.33Å; F128-V180 HydrophobicContact CE1-CG1 4.25Å; F128-V180 HydrophobicContact CZ-CG1 3.82Å; I166-V180 HydrophobicContact CG1-CG2 4.19Å; K169-V180 WeakPolarHBondContact CE-O 3.44Å; K169-V180 HydrophobicContact CG-CG2 4.34Å; K169-V180 PolarHBondContact NZ-O 2.82Å; H171-V180 VanDerWaalsContact CD2-CG1 3.45Å; H171-V180 WeakPolarHBondContact CD2-CG1 3.28Å; H171-V180 VanDerWaalsContact CD2-CG2 3.44Å; H171-V180 WeakPolarHBondContact CD2-CG2 3.09Å; H171-V180 VanDerWaalsContact NE2-CG2 3.26Å; H171-V180 WeakPolarHBondContact NE2-CG2 3.23Å
181K94.2Very high90.7Very high96 Ų9663.1 Ų63.142%0.41733%0.327SS..EExtended strand (participates in β ladder)trans-152164175.463.2-175.2178.3-179.50110.6F111 A183F111-K181 HydrophobicContact CB-CG 3.88Å; F111-K181 HydrophobicContact CD1-CD 4.09Å; F111-K181 VanDerWaalsContact CD1-CE 3.4Å; F111-K181 HydrophobicContact CD1-CG 3.71Å; F111-K181 HydrophobicContact CG-CG 4.1Å; F111-K181 PolarHBondContact N-O 3.27Å; F111-K181 PolarHBondContact O-N 3.37Å; F111-K181 VanDerWaalsContact O-N 3.15Å; K181-A183 PolarHBondContact O-N 2.91Å
182K95Very high89.8Confident8 Ų865.6 Ų65.64%0.03534%0.339CS..EExtended strand (participates in β ladder)trans-57.6127.9171.4-73.5175.5177.9-75.60109.4E102 S103 M105 V107 V162 D163 I166E102-K182 WeakPolarHBondContact O-CD 3.39Å; S103-K182 WeakPolarHBondContact O-CE 3.25Å; M105-K182 WeakPolarHBondContact O-CD 3.28Å; M105-K182 VanDerWaalsContact O-CE 3.25Å; M105-K182 WeakPolarHBondContact O-CE 3.05Å; M105-K182 PolarHBondContact O-NZ 2.99Å; V107-K182 HydrophobicContact CG2-CB 3.61Å; V107-K182 HydrophobicContact CG2-CD 4.13Å; V107-K182 HydrophobicContact CG2-CG 3.62Å; V162-K182 HydrophobicContact CG1-CG 4.04Å; D163-K182 VanDerWaalsContact OD1-CE 3.3Å; D163-K182 WeakPolarHBondContact OD1-CE 3.49Å; D163-K182 IonicContact OD1-NZ 2.78Å; D163-K182 PolarHBondContact OD1-NZ 2.85Å; I166-K182 HydrophobicContact CD1-CB 4.48Å; I166-K182 HydrophobicContact CD1-CD 4.4Å; I166-K182 HydrophobicContact CD1-CG 3.52Å
183A94.4Very high89.2Confident9 Ų966 Ų667%0.07434%0.339CS..PPolyproline II helixtrans-78.2127.7176.700000109.5K109 F111 F153 K181K109-A183 HydrophobicContact CB-CB 3.85Å; K109-A183 HydrophobicContact CD-CB 4.38Å; K109-A183 HydrophobicContact CG-CB 3.68Å; K109-A183 WeakPolarHBondContact O-CB 3.25Å; K109-A183 PolarHBondContact O-N 2.97Å; F111-A183 HydrophobicContact CB-CB 4.2Å; F153-A183 HydrophobicContact CD1-CB 3.87Å; F153-A183 HydrophobicContact CE1-CB 4.01Å; K181-A183 PolarHBondContact O-N 2.91Å
184L88.2Confident88.7Confident29 Ų2972.6 Ų72.615%0.15237%0.367CS..PPolyproline II helixtrans-94.8144.5175.9-62.1172.6000110.1E102 M105 Q188 I189 M192E102-L184 HydrophobicContact CB-CD2 4.38Å; E102-L184 VanDerWaalsContact CD-CD1 3.44Å; E102-L184 HydrophobicContact CG-CD1 3.95Å; E102-L184 HydrophobicContact CG-CD2 4.13Å; E102-L184 HydrophobicContact CG-CG 4.46Å; E102-L184 WeakPolarHBondContact OE1-CD1 3.44Å; M105-L184 HydrophobicContact CE-CD2 3.91Å; M105-L184 HydrophobicContact SD-CD2 3.68Å; L184-Q188 HydrophobicContact CB-CB 4.08Å; L184-Q188 HydrophobicContact CD2-CB 4.39Å; L184-I189 HydrophobicContact CB-CD1 4.18Å; L184-I189 HydrophobicContact CB-CG1 3.61Å; L184-I189 HydrophobicContact CD1-CG1 4.09Å; L184-M192 HydrophobicContact CD1-CE 3.24Å; L184-M192 HydrophobicContact CD1-SD 4.14Å; L184-M192 HydrophobicContact CD2-CE 3.7Å; L184-M192 HydrophobicContact CG-CE 4.02Å
185S86.3Confident88.2Confident51 Ų5177.2 Ų77.236%0.35737%0.372SS..PPolyproline II helixtrans-62.4155.1168.981.90000110.2E187 Q188 I189S185-E187 PolarHBondContact O-N 3.43Å; S185-E187 PolarHBondContact OG-N 2.82Å; S185-Q188 WeakPolarHBondContact O-CB 3.23Å; S185-Q188 PolarHBondContact O-N 3.44Å; S185-Q188 VanDerWaalsContact OG-CG 3.31Å; S185-Q188 WeakPolarHBondContact OG-CG 3.3Å; S185-Q188 PolarHBondContact OG-N 2.92Å; S185-Q188 VanDerWaalsContact OG-N 3.11Å; S185-Q188 PolarHBondContact OG-OE1 3.32Å; S185-I189 WeakPolarHBondContact O-CG1 3.18Å; S185-I189 PolarHBondContact O-N 3.24Å
186K85.5Confident87.4Confident178 Ų17880.6 Ų80.677%0.77438%0.381SS*.Hα-helixtrans-54.7-37175.8-68.4179.8-179.1173.30111.6I189 N190K186-I189 PolarHBondContact O-N 2.74Å; K186-N190 WeakPolarHBondContact O-CB 2.94Å; K186-N190 PolarHBondContact O-N 3.07Å; K186-N190 PolarHBondContact O-ND2 2.78Å; K186-N190 PolarHBondContact O-OD1 3.25Å
187E86.8Confident86.6Confident151 Ų15186 Ų8671%0.70641%0.406SS*.Hα-helixtrans-66.4-41.9176.7-63.317817200112.5S185 N190 T191S185-E187 PolarHBondContact O-N 3.43Å; S185-E187 PolarHBondContact OG-N 2.82Å; E187-N190 PolarHBondContact O-N 2.83Å; E187-T191 WeakPolarHBondContact O-CB 3.01Å; E187-T191 PolarHBondContact O-N 2.61Å; E187-T191 PolarHBondContact O-OG1 3.18Å
188Q84.2Confident85.4Confident68 Ų6880.9 Ų80.932%0.31840%0.398SS..Hα-helixtrans-64-43.9175.9-73.8165.9-21.400111L184 S185 N190 T191 M192L184-Q188 HydrophobicContact CB-CB 4.08Å; L184-Q188 HydrophobicContact CD2-CB 4.39Å; S185-Q188 WeakPolarHBondContact O-CB 3.23Å; S185-Q188 PolarHBondContact O-N 3.44Å; S185-Q188 VanDerWaalsContact OG-CG 3.31Å; S185-Q188 WeakPolarHBondContact OG-CG 3.3Å; S185-Q188 PolarHBondContact OG-N 2.92Å; S185-Q188 VanDerWaalsContact OG-N 3.11Å; S185-Q188 PolarHBondContact OG-OE1 3.32Å; Q188-N190 PolarHBondContact O-N 2.81Å; Q188-T191 PolarHBondContact O-N 3.18Å; Q188-M192 HydrophobicContact CB-CE 4.06Å; Q188-M192 PolarHBondContact O-N 2.98Å
189I84.5Confident83.9Confident65 Ų6590.4 Ų90.433%0.33343%0.432SS..Hα-helixtrans-60.1-47175.1-63.7169.5000110.3L184 S185 K186 T191 M192 K193L184-I189 HydrophobicContact CB-CD1 4.18Å; L184-I189 HydrophobicContact CB-CG1 3.61Å; L184-I189 HydrophobicContact CD1-CG1 4.09Å; S185-I189 WeakPolarHBondContact O-CG1 3.18Å; S185-I189 PolarHBondContact O-N 3.24Å; K186-I189 PolarHBondContact O-N 2.74Å; I189-T191 VanDerWaalsContact C-N 3.34Å; I189-T191 PolarHBondContact O-N 3.33Å; I189-M192 PolarHBondContact O-N 3.42Å; I189-K193 HydrophobicContact CG2-CD 4.26Å; I189-K193 WeakPolarHBondContact O-CG 3.23Å; I189-K193 PolarHBondContact O-N 3.43Å
190N87.4Confident82.4Confident93 Ų9390.7 Ų90.750%0.49743%0.434SS..Hα-helixtrans-64.1-39.4179.5-72.1-12.8000112.1K186 E187 Q188 K193 K194K186-N190 WeakPolarHBondContact O-CB 2.94Å; K186-N190 PolarHBondContact O-N 3.07Å; K186-N190 PolarHBondContact O-ND2 2.78Å; K186-N190 PolarHBondContact O-OD1 3.25Å; E187-N190 PolarHBondContact O-N 2.83Å; Q188-N190 PolarHBondContact O-N 2.81Å; N190-K193 PolarHBondContact O-N 3.37Å; N190-K194 WeakPolarHBondContact O-CG 3.33Å; N190-K194 PolarHBondContact O-N 3.18Å
191T84.2Confident80.7Confident75 Ų7596 Ų9646%0.4646%0.462SS..Hα-helixtrans-65.6-40.8177.3-58.40000111.4E187 Q188 I189 K195E187-T191 WeakPolarHBondContact O-CB 3.01Å; E187-T191 PolarHBondContact O-N 2.61Å; E187-T191 PolarHBondContact O-OG1 3.18Å; Q188-T191 PolarHBondContact O-N 3.18Å; I189-T191 VanDerWaalsContact C-N 3.34Å; I189-T191 PolarHBondContact O-N 3.33Å; T191-K195 PolarHBondContact O-N 3.41Å; T191-K195 VanDerWaalsContact O-N 3.11Å
192M77.1Confident78.9Confident52 Ų5299.9 Ų99.926%0.25648%0.475SS..Hα-helixtrans-68.8-40.4176.7-77.4-174.4-10700112.5E102 L184 Q188 I189 K194 K195 Q196E102-M192 HydrophobicContact CG-CE 4.07Å; E102-M192 HydrophobicContact CG-SD 3.87Å; E102-M192 VanDerWaalsContact OE1-SD 3.4Å; L184-M192 HydrophobicContact CD1-CE 3.24Å; L184-M192 HydrophobicContact CD1-SD 4.14Å; L184-M192 HydrophobicContact CD2-CE 3.7Å; L184-M192 HydrophobicContact CG-CE 4.02Å; Q188-M192 HydrophobicContact CB-CE 4.06Å; Q188-M192 PolarHBondContact O-N 2.98Å; I189-M192 PolarHBondContact O-N 3.42Å; M192-K194 PolarHBondContact O-N 2.98Å; M192-K195 PolarHBondContact O-N 2.89Å; M192-Q196 PolarHBondContact O-N 3.39Å
193K82.1Confident77.1Confident116 Ų116105.9 Ų105.950%0.50451%0.508SS..Hα-helixtrans-58.9-47.1173.3-75.3-177.8176-172.20112I189 N190 K195 Q196 E197I189-K193 HydrophobicContact CG2-CD 4.26Å; I189-K193 WeakPolarHBondContact O-CG 3.23Å; I189-K193 PolarHBondContact O-N 3.43Å; N190-K193 PolarHBondContact O-N 3.37Å; K193-K195 VanDerWaalsContact C-N 3.34Å; K193-K195 PolarHBondContact O-N 3.1Å; K193-Q196 WeakPolarHBondContact O-CB 3.43Å; K193-Q196 PolarHBondContact O-N 3.42Å; K193-Q196 VanDerWaalsContact O-N 3.1Å; K193-E197 WeakPolarHBondContact O-CG 3.13Å; K193-E197 PolarHBondContact O-N 3.48Å
194K82.5Confident75.5Confident140 Ų140111.7 Ų111.761%0.60954%0.538SS*.Hα-helixtrans-60.3-39.7176.5-75.2-177.8177.9-174.60113.1N190 M192 Q196 E197 S198N190-K194 WeakPolarHBondContact O-CG 3.33Å; N190-K194 PolarHBondContact O-N 3.18Å; M192-K194 PolarHBondContact O-N 2.98Å; K194-Q196 VanDerWaalsContact C-N 3.33Å; K194-E197 PolarHBondContact O-N 2.71Å; K194-S198 WeakPolarHBondContact O-CB 3.39Å; K194-S198 PolarHBondContact O-N 3.41Å; K194-S198 PolarHBondContact O-OG 3.26Å
195K78.3Confident74Confident155 Ų155117 Ų11767%0.67457%0.566SS**Hα-helixtrans-65.9-36.4175.3-77.9-175.9177.7-178.20112.1T191 M192 K193 R199T191-K195 PolarHBondContact O-N 3.41Å; T191-K195 VanDerWaalsContact O-N 3.11Å; M192-K195 PolarHBondContact O-N 2.89Å; K193-K195 VanDerWaalsContact C-N 3.34Å; K193-K195 PolarHBondContact O-N 3.1Å; K195-R199 PolarHBondContact O-N 3.02Å
196Q73.2Confident72.5Confident132 Ų132124.1 Ų124.162%0.61759%0.587SS**Hα-helixtrans-69.7-42.3176.2-169.11747.400111.6M192 K193 K194 R199 N200M192-Q196 PolarHBondContact O-N 3.39Å; K193-Q196 WeakPolarHBondContact O-CB 3.43Å; K193-Q196 PolarHBondContact O-N 3.42Å; K193-Q196 VanDerWaalsContact O-N 3.1Å; K194-Q196 VanDerWaalsContact C-N 3.33Å; Q196-R199 PolarHBondContact O-N 3.2Å; Q196-N200 PolarHBondContact O-N 2.92Å; Q196-N200 PolarHBondContact O-ND2 3.38Å
197E73.9Confident70.8Confident115 Ų115119.1 Ų119.154%0.53759%0.586SS.*Hα-helixtrans-61.7-47.4174.2-71.2166.4178.400111.4K193 K194 R199 N200 D201K193-E197 WeakPolarHBondContact O-CG 3.13Å; K193-E197 PolarHBondContact O-N 3.48Å; K194-E197 PolarHBondContact O-N 2.71Å; E197-R199 PolarHBondContact O-N 3.26Å; E197-R199 VanDerWaalsContact O-N 3.16Å; E197-N200 WeakPolarHBondContact O-CA 3.49Å; E197-N200 WeakPolarHBondContact O-CB 3.33Å; E197-N200 PolarHBondContact O-N 2.94Å; E197-D201 PolarHBondContact O-N 2.72Å; E197-D201 VanDerWaalsContact O-N 3.11Å
198S69.1Low68.9Low74 Ų74115.7 Ų115.752%0.51759%0.59SS.*Hα-helixtrans-61.5-28.2177.9-56.50000112.9K194K194-S198 WeakPolarHBondContact O-CB 3.39Å; K194-S198 PolarHBondContact O-N 3.41Å; K194-S198 PolarHBondContact O-OG 3.26Å
199R65.1Low66.7Low208 Ų208116.6 Ų116.679%0.78562%0.618SS**Hα-helixtrans-75.4-27.6175.8-155.6175.7-167.5171.93112.1K195 Q196 E197K195-R199 PolarHBondContact O-N 3.02Å; Q196-R199 PolarHBondContact O-N 3.2Å; E197-R199 PolarHBondContact O-N 3.26Å; E197-R199 VanDerWaalsContact O-N 3.16Å
200N63.4Low64.6Low90 Ų90117.1 Ų117.148%0.48164%0.64SS.*Hα-helixtrans-78.9-31.9176.5-67.5-21.3000111.9Q196 E197 N203 N204Q196-N200 PolarHBondContact O-N 2.92Å; Q196-N200 PolarHBondContact O-ND2 3.38Å; E197-N200 WeakPolarHBondContact O-CA 3.49Å; E197-N200 WeakPolarHBondContact O-CB 3.33Å; E197-N200 PolarHBondContact O-N 2.94Å; N200-N203 PolarHBondContact O-N 3.42Å; N200-N204 PolarHBondContact O-N 3.47Å; N200-N204 PolarHBondContact O-ND2 3.35Å
201D60.1Low62.4Low112 Ų112116.9 Ų116.960%0.59966%0.659SS**Hα-helixtrans-68.6-34.7176.9-72-38.4000112.7E197 N203 N204 N205E197-D201 PolarHBondContact O-N 2.72Å; E197-D201 VanDerWaalsContact O-N 3.11Å; D201-N203 VanDerWaalsContact C-N 3.27Å; D201-N203 PolarHBondContact O-N 3.38Å; D201-N204 PolarHBondContact O-N 3.37Å; D201-N205 PolarHBondContact O-N 2.81Å
202Y55.1Low60.4Low176 Ų176116.1 Ų116.169%0.6967%0.666SS**Hα-helixtrans-69.6-23.8175.3-114.4-89.6000113.5Y206Y202-Y206 HydrophobicContact CD1-CE2 4.41Å; Y202-Y206 HydrophobicContact CE1-CE2 4.2Å
203N58.6Low58.7Low134 Ų134124.9 Ų124.972%0.71770%0.698SS**Hα-helixtrans-84.8-22.6-179.9-160.140.8000113N200 D201N200-N203 PolarHBondContact O-N 3.42Å; D201-N203 VanDerWaalsContact C-N 3.27Å; D201-N203 PolarHBondContact O-N 3.38Å
204N60.8Low56.9Low132 Ų132122.7 Ų122.771%0.70671%0.708SS**Hα-helixtrans-88.8-14.2177.3-75.1-50.6000113.7N200 D201N200-N204 PolarHBondContact O-N 3.47Å; N200-N204 PolarHBondContact O-ND2 3.35Å; D201-N204 PolarHBondContact O-N 3.37Å
205N56.8Low55.1Low140 Ų140121.8 Ų121.875%0.74972%0.717SS**THydrogen-bonded Turntrans-97.73-176.9-152.19.9000115D201D201-N205 PolarHBondContact O-N 2.81Å
206Y53.1Low53.3Low201 Ų201123.8 Ų123.879%0.78873%0.731SS**THydrogen-bonded Turntrans-113.615.6174.2-87.4-87.4000113.8Y202Y202-Y206 HydrophobicContact CD1-CE2 4.41Å; Y202-Y206 HydrophobicContact CE1-CE2 4.2Å
207G50.3Low51.8Low73 Ų73121.3 Ų121.375%0.75374%0.741SS**SBendtrans-117.44.4179.600000116.5
208G47.8Very low50.1Low78 Ų78119.9 Ų119.980%0.80476%0.757SS**SBendtrans-114.31-170.100000117.3
209G37Very low48.7Very low87 Ų87119.9 Ų119.990%0.89777%0.768SS**  trans-113.391.3-176.800000112.2
210G41.7Very low47.3Very low77 Ų77120.8 Ų120.879%0.79477%0.773SS**  trans-175105.6175.800000114.5
211G40.7Very low46.3Very low88 Ų88120.7 Ų120.791%0.90779%0.794SS**  trans93.1130163.300000113.3
212G41Very low45.3Very low58 Ų58118.8 Ų118.860%0.59880%0.801SS**  cis162.3118.412.200000105.5G214G212-G214 PolarHBondContact O-N 3.17Å
213Y42.6Very low44.5Very low237 Ų237120.5 Ų120.593%0.92981%0.808SS**  trans-36.6124.3166.423.7-90.6000112.8
214G44.1Very low43.7Very low70 Ų70121.8 Ų121.872%0.72282%0.815SS**  trans-142.5127.7170.100000109.9G212G212-G214 PolarHBondContact O-N 3.17Å
215P45.6Very low42.8Very low121 Ų121118.6 Ų118.679%0.78681%0.812SS**  trans-94.2158.2-166.536.7-33.9000113.9
216M39.8Very low41.9Very low197 Ų197115.4 Ų115.497%0.9781%0.813SS**  trans40.1117.5145.6-68.4-162.5143.100120
217G42.2Very low41.2Very low80 Ų80117 Ų11783%0.82582%0.819SS**  trans174.6109.7156.500000111.9
218G37.1Very low40.7Very low85 Ų85117.4 Ų117.488%0.87682%0.823SS**  trans-70.7162.8-177.200000114.6
219G40.6Very low40.2Very low74 Ų74117.6 Ų117.676%0.76383%0.825SS**  trans-177.7108.9173.700000110.8
220Y35.9Very low40.3Very low226 Ų226118.3 Ų118.389%0.88682%0.816SS**  trans-84.4148.6-177.329.7-91.8000111.5
221G40.8Very low40Very low88 Ų88125 Ų12591%0.90782%0.819SS**  trans121.4131.2150.800000116.4
222G40Very low39.9Very low73 Ų73124.6 Ų124.675%0.75382%0.815SS**  trans133.697.815800000114.8
223Y37Very low39.9Very low212 Ų212125.9 Ų125.983%0.83183%0.828SS**  trans-86.4171.1177.941.4-93.7000112.5
224D42.7Very low39.7Very low161 Ų161118.2 Ų118.286%0.86182%0.821SS**  trans79.3125.8168.7-124.5-105.5000115.5
225G41.7Very low39.7Very low64 Ų64119.8 Ų119.866%0.6682%0.819SS**  cis132.3128.725.800000106.6
226G38.7Very low39.4Very low73 Ų73124.5 Ų124.575%0.75382%0.822SS**  trans149.9100.2171.700000116.6
227Y37.2Very low39.3Very low235 Ų235118.9 Ų118.992%0.92282%0.815SS**  trans-91.4148.4177.2-37.6-96.7000109.9
228G40.4Very low39.1Very low82 Ų82118.8 Ų118.885%0.84581%0.814SS**  trans162.996.4164.600000114.2
229G37.2Very low39.1Very low82 Ų82126 Ų12685%0.84582%0.816SS**  trans-85.8153165.400000111.7
230S39.3Very low39.1Very low102 Ų102125.9 Ų125.971%0.71382%0.816SS**  trans-162.6140.4147.9-163.50000111.4
231Y35Very low39.1Very low218 Ų218120.9 Ų120.986%0.85581%0.814SS**  trans-78.5158175.342.3-90.5000111.9
232G39.8Very low39.2Very low79 Ų79124.6 Ų124.681%0.81481%0.813SS**  trans142.2122.817200000108.9
233G40.5Very low39.2Very low85 Ų85124.3 Ų124.388%0.87681%0.81SS**  cis118.6108.725.500000107.9
234G38.4Very low39.3Very low76 Ų76118.3 Ų118.378%0.78481%0.813SS**  trans107.3160.4156.100000119
235P44.7Very low39.1Very low103 Ų103114.4 Ų114.467%0.66981%0.811SS**  -131.6-179.3-122.724.5-0.1000115.7
236Y38Very low38.9Very low219 Ų219115.6 Ų115.686%0.85982%0.823SS**  trans60135.9158.370.2-96.8000120.8
237G38.2Very low38.9Very low80 Ų80116 Ų11683%0.82583%0.828SS**  trans129.4126.4146.700000116.4
238G37.4Very low39Very low78 Ų78108.6 Ų108.680%0.80482%0.822SS**  trans108.292.5142.700000117.1
239Y36.9Very low38.8Very low235 Ų235108.8 Ų108.892%0.92282%0.816SS**  trans-73.6134.6155.343-88.3000109.6
240G40.3Very low39Very low73 Ų73116 Ų11675%0.75382%0.819SS**  trans-167103.7177.400000112.8
241S37.5Very low38.9Very low121 Ų121114.5 Ų114.585%0.84682%0.82SS**  trans41.7115.6136.7-166.20000121.1
242N41.9Very low39.1Very low165 Ų165108.5 Ų108.588%0.88282%0.824SS**  trans-178.5141.6131.9-130.4-1000107.7
243G39.4Very low39Very low67 Ų67107.8 Ų107.869%0.69182%0.817SS**  cis133.5124.61900000108.3
244G39.7Very low38.6Very low87 Ų87111.1 Ų111.190%0.89782%0.815SS**  trans77145.6164.300000116.5
245G38.1Very low38.7Very low79 Ų79117.7 Ų117.781%0.81482%0.818SS**  cis150.9143.2800000109.4
246G39.4Very low38.3Very low88 Ų88116.5 Ų116.591%0.90782%0.824SS**  trans81.8139.9165.700000116
247G36.9Very low38.4Very low83 Ų83109.1 Ų109.186%0.85682%0.815SS**  cis131.1126.412.800000109.9
248G39.1Very low38.3Very low79 Ų79109.2 Ų109.281%0.81482%0.816SS**  trans107.2111.4168.300000114.2
249A38.1Very low38.5Very low86 Ų86117.8 Ų117.871%0.71182%0.824SS**  90.3146.959.400000113.2
250Y40.7Very low38.6Very low233 Ų233109.5 Ų109.591%0.91481%0.81SS**  trans63.9141.3175.682.7-92.3000117
251G36.9Very low38.9Very low71 Ų71111.9 Ų111.973%0.73281%0.812SS**  cis1411321200000108.5
252G38.3Very low39.2Very low91 Ų91113.9 Ų113.994%0.93881%0.813SS**  trans87.7147.1171.900000114.7
253G38.6Very low39.2Very low65 Ų65114.3 Ų114.367%0.6781%0.81SS**  cis-179.51412.500000107.8
254N32.6Very low39.4Very low155 Ų155120.2 Ų120.283%0.82982%0.821SS**  trans5.4121.8151.1-173.341.6000119.9
255Y39.5Very low39.6Very low214 Ų214123.8 Ų123.884%0.83982%0.82SS**  -164.5116127.237.3-99000111.6
256G37.6Very low39.7Very low77 Ų77123.5 Ų123.579%0.79482%0.817SS**  trans-74.2140.1159.100000110.2
257G39.2Very low39.9Very low65 Ų65127.3 Ų127.367%0.6782%0.817SS**  trans-130.2103.8173.200000109.5
258G36.6Very low40.2Very low82 Ų82126.9 Ų126.985%0.84581%0.812SS**  trans-74.9144.6168.600000110.9
259W40.5Very low40.4Very low257 Ų257129.5 Ų129.597%0.97382%0.815SS**  trans-107.7100.5171.4-70.481.8000108.1
260G39.5Very low40.5Very low61 Ų61128.4 Ų128.463%0.62981%0.811SS**PPolyproline II helixtrans-91.7153.5163.700000110.5
261P46Very low40.5Very low123 Ų123129.5 Ų129.580%0.79981%0.814SS**PPolyproline II helixtrans-89125.9-173.619.2-4000111.6
262N45Very low40.6Very low163 Ų163129.4 Ų129.487%0.87281%0.813SS**PPolyproline II helixtrans-91.3124.1170.7-86.3-8.3000111.3
263H42Very low40.6Very low175 Ų175135 Ų13581%0.8182%0.815SS**PPolyproline II helixtrans-55.4133.7160-64.695.4000111.4
264M44.1Very low40.5Very low190 Ų190135.1 Ų135.194%0.93682%0.816SS**  trans-140.7108145.2-80.4-156.8170.200108.8
265N42.4Very low40.6Very low163 Ų163131.5 Ų131.587%0.87282%0.815SS**  trans-66.8139.4155.8-77.1-34.4000108.2
266G41.5Very low40.8Very low73 Ų73130.3 Ų130.375%0.75382%0.819SS**  trans-17291.2176.600000109.8
267D43.9Very low40.8Very low168 Ų168130 Ų13090%0.89882%0.816SS**  trans-51.9144.7177.1-61.4-90.5000114.6
268G41.7Very low40.7Very low73 Ų73135.1 Ų135.175%0.75383%0.828SS**  trans173.9107.9168.400000112.9
269P43.1Very low40.8Very low135 Ų135134.6 Ų134.688%0.87782%0.823SS**  trans-99.8161.4-171.936.6-31.5000114.4
270G41Very low40.6Very low62 Ų62133.2 Ų133.264%0.63982%0.824SS**  trans110.6130.3171.700000111.4
271W40.8Very low40.5Very low257 Ų257133.7 Ų133.797%0.97383%0.829SS**  cis-157.2170.432.8-69.582.9000110
272G39.6Very low40.1Very low68 Ų68136.8 Ų136.870%0.70183%0.833SS**  trans-51.8154.3-172.300000117
273Q36.6Very low39.6Very low209 Ų209140 Ų14098%0.97783%0.834SS**  82.4110.691-169-174.165.900111.3
274G37Very low39.4Very low68 Ų68135.1 Ų135.170%0.70183%0.831SS**  trans161.892.317000000112
275G35.6Very low39.1Very low78 Ų78132.7 Ų132.780%0.80482%0.822SS**  trans-69.1135.5166.800000110.9
276M42.7Very low39Very low189 Ų189131.6 Ų131.693%0.93181%0.811SS**  trans-150.7120.8161.2-61.7-174.5178.100104.4
277G39.1Very low38.9Very low70 Ų70135.3 Ų135.372%0.72281%0.809SS**  cis110.4120.346.400000106.5
278D36.7Very low38.5Very low173 Ų173134.6 Ų134.693%0.92581%0.805SS**  trans-51.1156.3-174.3-54.3-88.3000115.2
279G37.8Very low38.4Very low72 Ų72142.3 Ų142.374%0.74281%0.813SS**  trans17752.117300000117.9
280F35.9Very low38.3Very low227 Ų227140.4 Ų140.4100%0.99681%0.809SS**  trans-109.190.1155-82.2-83.1000108.5
281G38.6Very low38.3Very low71 Ų71141.3 Ų141.373%0.73282%0.818SS**  trans-100.4117.4167.900000109.2
282H37.9Very low38.3Very low189 Ų189132.6 Ų132.688%0.87581%0.809SS**  81.1107.790.7-123.869.1000113
283Y33.9Very low38.8Very low231 Ų231135.9 Ų135.991%0.90682%0.817SS**  trans-68.5136.2162.9-63.8-101.7000108.3
284G37Very low39.1Very low71 Ų71135.1 Ų135.173%0.73282%0.816SS**  trans173.391177.400000112.8
285N37.5Very low39.5Very low140 Ų140144 Ų14475%0.74983%0.828SS**  trans30.2134.3134.1-123-19.7000120
286Q40.4Very low39.9Very low140 Ų140144.2 Ų144.265%0.65483%0.831SS**  trans84.7126.9139.2-88.1171.640.200121
287Q40.4Very low40Very low151 Ų151138.7 Ų138.771%0.70682%0.822SS**  trans92108.6140.1-66.7167.935.500119.6
288N36.1Very low41Very low153 Ų153141.3 Ų141.382%0.81883%0.827SS**  trans33.2114.7132.4-83.3-9.4000118.7
289Y38.7Very low41.6Very low234 Ų234139.4 Ų139.492%0.91882%0.824SS**  trans-138.8112.9143-86.7-80.1000111.9
290A42Very low42.2Very low96 Ų96140 Ų14079%0.79383%0.829SS**  trans-75.4154.4152.800000109.7
291G40Very low42.4Very low80 Ų80131.7 Ų131.783%0.82581%0.808SS**  trans100101.1160.800000115.3
292G40.1Very low42.9Very low75 Ų75138.5 Ų138.577%0.77381%0.813SS**  trans-72.6174.4163.800000112.5
293P51.4Low43.3Very low136 Ų136137.2 Ų137.288%0.88381%0.808SS**  -140.4145.1121.818.32.5000114.4
294M42.7Very low43.8Very low194 Ų194137 Ų13796%0.95681%0.805SS**PPolyproline II helixtrans-77.1145.5175.8-62.7-167177.600112.4
295R46.1Very low44.1Very low253 Ų253141.5 Ų141.596%0.95581%0.812SS**PPolyproline II helixtrans-82.8137.3172.7-113.6-178.1174.7-141.30.8110.6
296G42.5Very low44.5Very low83 Ų83138.8 Ų138.886%0.85681%0.81SS**PPolyproline II helixtrans-84.9171.3-171.800000117.1
297G44.3Very low45.4Very low73 Ų73137.2 Ų137.275%0.75381%0.812SS**  trans-150.4128.8163.700000109
298P60.8Low45.7Very low126 Ų126141.8 Ų141.882%0.81882%0.824SS**  trans-114.4-170.6-177.146.2-35.9000111.7
299P49.1Very low46.3Very low133 Ų133138 Ų13886%0.86482%0.821SS**  -132.1168.4-9135.5-14.9000114.8
300G50.9Low46.9Very low83 Ų83130.7 Ų130.786%0.85682%0.817SS**  trans165.7142.7166.300000109.3
301G41.1Very low47.5Very low53 Ų53128.8 Ų128.855%0.54681%0.807SS.*  cis175.6163.51.100000105.9
302Y47.3Very low48.3Very low214 Ų214136.4 Ų136.484%0.83981%0.812SS**  trans75.8103.5166.2-46.7-74.9000116.5
303Q46.3Very low49.1Very low163 Ų163136.3 Ų136.376%0.76281%0.811SS**  93111.576.3-88.2-179.4-12.600114.4
304R44.3Very low49.3Very low226 Ų226141.4 Ų141.485%0.85381%0.813SS**  trans52.6122.7141.1-67.3-175.5179.7-144.90.6120.5
305N44.2Very low50.1Low165 Ų165147.2 Ų147.288%0.88282%0.824SS**  -165144.498-117.16.8000112.1
306A46.5Very low50.3Low84 Ų84142 Ų14269%0.69482%0.818SS**  trans-112.1-153.7-178.200000109.2
307P57.7Low50.7Low107 Ų107145.1 Ų145.170%0.69582%0.816SS**  -133.8160-67.431.8-14.4000113.3
308Y48.4Very low51.1Low247 Ų247149.1 Ų149.197%0.96982%0.819SS**  trans-157.6139.3155.4-73-83.1000106.5
309G47.6Very low50.5Low73 Ų73150.4 Ų150.475%0.75382%0.819SS**  cis-174.9176.73.700000108.1
310G52.1Low50.6Low81 Ų81151.5 Ų151.584%0.83582%0.816SS**  trans-54.6172.3-169.600000117.3
311G54.4Low50.6Low56 Ų56156.1 Ų156.158%0.57781%0.814SS**  cis167.8164.614.400000110.4
312Y56.6Low51.3Low240 Ų240163.4 Ų163.494%0.94183%0.833SS**  trans39.6131.4147.8-34.4-80000119.2
313G56.5Low51.6Low73 Ų73159.5 Ų159.575%0.75383%0.833SS**  cis172.3175.813.700000110.6
314R56.3Low52Low243 Ų243159.3 Ų159.392%0.91784%0.838SS**  trans-17.6146.1172.7-45-163.7-161.5-152.611.5116.8
315R59.4Low52.7Low316 Ų316153.2 Ų153.2100%1.19284%0.837SS**  cis-145.5032.2-81.3179.7168.4-178.2-3.8110

Retrieved 315 of 315 residues in 92 ms (Link to these results)

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