A0A5K4F721_SCHMA Loading...

Zinc finger CCHC-type and RNA-binding motif-containing protein 1

AlphaFold DB , UniProt , Accession A0A5K4F721, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 220 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
1M37.6Very low66.2Low231 Ų23196.4 Ų96.4100%1.13854%0.543SS*.  090.70-68-162.9-178.900110K3M1-K3 PolarHBondContact O-N 3.45Å
2S43.4Very low68.7Low124 Ų12488.3 Ų88.387%0.86750%0.498SS*.  trans-86.890.8171.9390000109.3G4S2-G4 PolarHBondContact O-N 3.14Å
3K53.1Low70.8Confident195 Ų19587.2 Ų87.285%0.84848%0.482SS*.  trans-68.7110.7173.2-70.1179.6178.5176.20109.2M1M1-K3 PolarHBondContact O-N 3.45Å
4G56.9Low72.6Confident55 Ų5581.1 Ų81.157%0.56745%0.448SS*.  trans72.9127.4151.100000117.3S2 A6S2-G4 PolarHBondContact O-N 3.14Å; G4-A6 PolarHBondContact O-N 3.01Å; G4-A6 VanDerWaalsContact O-N 3.15Å
5L58.8Low74.1Confident138 Ų13877.1 Ų77.172%0.72343%0.428SS*.SBendtrans-63.2-10.5169.2-95.865.9000113.8A92L5-A92 HydrophobicContact CB-CB 4.44Å
6A65Low75.4Confident45 Ų4576.8 Ų76.837%0.37243%0.425SS..SBendtrans-77.9132.9-179.900000110G4 S8 A92G4-A6 PolarHBondContact O-N 3.01Å; G4-A6 VanDerWaalsContact O-N 3.15Å; A6-S8 PolarHBondContact O-N 3.03Å; A6-S8 VanDerWaalsContact O-N 3.16Å; A6-A92 HydrophobicContact CB-CB 4.08Å
7P66.6Low76.5Confident39 Ų3973 Ų7325%0.25340%0.404SS..PPolyproline II helixtrans-59.4121.617424.6-31.7000109.4T11 A86 D88P7-T11 HydrophobicContact CB-CG2 4.07Å; P7-A86 HydrophobicContact CB-CB 3.8Å; P7-A86 HydrophobicContact CG-CB 4.46Å; P7-D88 HydrophobicContact CG-CB 4.1Å
8S77.5Confident77.4Confident47 Ų4769.1 Ų69.133%0.32938%0.383SS..PPolyproline II helixtrans-68.6164.2171.761.40000110A6 S10 T11 L57A6-S8 PolarHBondContact O-N 3.03Å; A6-S8 VanDerWaalsContact O-N 3.16Å; S8-S10 PolarHBondContact O-N 3.28Å; S8-S10 PolarHBondContact OG-N 3.3Å; S8-S10 PolarHBondContact OG-OG 2.81Å; S8-T11 PolarHBondContact N-OG1 3.09Å; S8-T11 WeakPolarHBondContact O-CB 3.39Å; S8-T11 PolarHBondContact O-N 3.13Å; S8-T11 PolarHBondContact O-OG1 3.12Å; S8-T11 PolarHBondContact OG-OG1 3.47Å; S8-L57 WeakPolarHBondContact OG-CD1 3.02Å
9K83.5Confident78.3Confident156 Ų15671.9 Ų71.968%0.67839%0.391SS*.THydrogen-bonded Turntrans-60-8.8170.2-61.9-177.8-177.9178.70113.5K61K9-K61 HydrophobicContact CB-CD 4.04Å; K9-K61 HydrophobicContact CB-CG 4.22Å
10S92.4Very high79Confident19 Ų1973.1 Ų73.113%0.13341%0.405CS..THydrogen-bonded Turntrans-979.1173.262.90000113.6S8 L57 F58 A64S8-S10 PolarHBondContact O-N 3.28Å; S8-S10 PolarHBondContact OG-N 3.3Å; S8-S10 PolarHBondContact OG-OG 2.81Å; S10-L57 WeakPolarHBondContact OG-CD1 3.46Å; S10-F58 WeakPolarHBondContact CB-O 3.48Å; S10-F58 PolarHBondContact O-N 3Å; S10-F58 PolarHBondContact OG-O 3.32Å; S10-A64 WeakPolarHBondContact O-CB 3.41Å
11T94Very high79.7Confident11 Ų1170.5 Ų70.57%0.06739%0.39CS..EExtended strand (participates in β ladder)trans-96.2127.2176.1-51.80000110.2P7 S8 F55 V56 A86P7-T11 HydrophobicContact CB-CG2 4.07Å; S8-T11 PolarHBondContact N-OG1 3.09Å; S8-T11 WeakPolarHBondContact O-CB 3.39Å; S8-T11 PolarHBondContact O-N 3.13Å; S8-T11 PolarHBondContact O-OG1 3.12Å; S8-T11 PolarHBondContact OG-OG1 3.47Å; T11-F55 HydrophobicContact CG2-CB 4.35Å; T11-F55 HydrophobicContact CG2-CD1 4.39Å; T11-V56 CarbonylContact C-O 3.59Å; T11-V56 VanDerWaalsContact CA-O 3.31Å; T11-V56 WeakPolarHBondContact CA-O 3.31Å; T11-A86 HydrophobicContact CG2-CB 3.72Å; T11-A86 VanDerWaalsContact O-CB 3.31Å; T11-A86 WeakPolarHBondContact O-CB 3.47Å; T11-A86 PolarHBondContact O-N 3.37Å
12V95.5Very high82.3Confident0 Ų063 Ų630%036%0.357CS..EExtended strand (participates in β ladder)trans-99.8133.2175.2-177.30000109.4I14 F55 V56 F58 A64 A68 A83V12-I14 HydrophobicContact CG1-CD1 4.45Å; V12-I14 HydrophobicContact CG1-CG1 3.86Å; V12-F55 WeakPolarHBondContact O-CA 3.16Å; V12-V56 PolarHBondContact N-O 3.47Å; V12-V56 PolarHBondContact O-N 2.94Å; V12-F58 HydrophobicContact CB-CE2 4.17Å; V12-F58 HydrophobicContact CG2-CD2 3.75Å; V12-F58 HydrophobicContact CG2-CE2 3.59Å; V12-A64 HydrophobicContact CG2-CB 3.68Å; V12-A64 VanDerWaalsContact CG2-O 3.24Å; V12-A64 WeakPolarHBondContact CG2-O 3.5Å; V12-A68 HydrophobicContact CG1-CB 4.24Å; V12-A83 HydrophobicContact CG1-CB 4.46Å
13Y95.6Very high84.8Confident73 Ų7360.5 Ų60.529%0.28633%0.334SS..EExtended strand (participates in β ladder)trans-97123.6169.1172-97.7000109.1V53 F55 A83 S84Y13-V53 HydrophobicContact CD2-CG1 3.99Å; Y13-V53 HydrophobicContact CE2-CG1 3.25Å; Y13-F55 HydrophobicContact CD2-CD1 4.21Å; Y13-F55 AromaticContact CD2-CE1 3.59Å; Y13-F55 HydrophobicContact CD2-CE1 3.59Å; Y13-F55 HydrophobicContact CD2-CE2 4.45Å; Y13-F55 AromaticContact CD2-CZ 3.72Å; Y13-F55 HydrophobicContact CD2-CZ 3.72Å; Y13-F55 HydrophobicContact CE2-CE1 4.4Å; Y13-F55 HydrophobicContact CE2-CZ 4.09Å; Y13-F55 HydrophobicContact CG-CE1 4.47Å; Y13-A83 CarbonylContact O-C 3.59Å; Y13-A83 VanDerWaalsContact O-CA 3.32Å; Y13-A83 WeakPolarHBondContact O-CA 3.37Å; Y13-S84 PolarHBondContact N-O 2.93Å; Y13-S84 PolarHBondContact O-N 3.35Å
14I96Very high86.8Confident3 Ų355.8 Ų55.82%0.01532%0.318CS..EExtended strand (participates in β ladder)trans-120.1130.8177.4-49.6175.2000108.4V12 L17 L30 V53 A54 V56 L71 K82 A83V12-I14 HydrophobicContact CG1-CD1 4.45Å; V12-I14 HydrophobicContact CG1-CG1 3.86Å; I14-L17 HydrophobicContact CB-CD1 4.15Å; I14-L17 HydrophobicContact CG2-CD1 3.93Å; I14-L17 HydrophobicContact CG2-CD2 3.82Å; I14-L17 HydrophobicContact CG2-CG 3.82Å; I14-L30 HydrophobicContact CD1-CD1 3.63Å; I14-L30 HydrophobicContact CD1-CD2 3.95Å; I14-L30 HydrophobicContact CD1-CG 4.4Å; I14-V53 CarbonylContact O-C 3.59Å; I14-V53 WeakPolarHBondContact O-CA 3.39Å; I14-A54 PolarHBondContact N-O 3.2Å; I14-A54 PolarHBondContact O-N 3.01Å; I14-V56 HydrophobicContact CD1-CG2 4.28Å; I14-L71 HydrophobicContact CD1-CD1 4.15Å; I14-K82 CarbonylContact C-O 3.6Å; I14-K82 WeakPolarHBondContact CA-O 3.5Å; I14-A83 HydrophobicContact CG1-CB 4.42Å
15S95.1Very high88.6Confident20 Ų2055.8 Ų55.814%0.1431%0.305CS..EExtended strand (participates in β ladder)trans-130.6163.8-179.158.70000112.1L17 K82S15-L17 VanDerWaalsContact C-N 3.27Å; S15-K82 PolarHBondContact N-O 2.82Å; S15-K82 PolarHBondContact O-N 2.92Å; S15-K82 WeakPolarHBondContact OG-CB 3.42Å; S15-K82 PolarHBondContact OG-O 3.21Å
16N95.3Very high90.3Very high73 Ų7349.4 Ų49.439%0.3927%0.272SS..SBendtrans63.929.5-172.5-158.938.3000113.7G52 T80 L81N16-G52 PolarHBondContact N-O 3.25Å; N16-G52 VanDerWaalsContact N-O 3.12Å; N16-T80 WeakPolarHBondContact CB-O 3.37Å; N16-T80 PolarHBondContact ND2-O 3.05Å; N16-L81 VanDerWaalsContact O-CD2 3.26Å; N16-L81 WeakPolarHBondContact O-CD2 3.28Å
17L94.2Very high91.8Very high12 Ų1250.4 Ų50.46%0.06327%0.269CS..  trans-70.4141.6173.5-70.3165.5000110.2I14 S15 F19 L21 I26 G52 A54 L81I14-L17 HydrophobicContact CB-CD1 4.15Å; I14-L17 HydrophobicContact CG2-CD1 3.93Å; I14-L17 HydrophobicContact CG2-CD2 3.82Å; I14-L17 HydrophobicContact CG2-CG 3.82Å; S15-L17 VanDerWaalsContact C-N 3.27Å; L17-F19 PolarHBondContact O-N 3.46Å; L17-L21 HydrophobicContact CD2-CD1 4.11Å; L17-I26 HydrophobicContact CD1-CD1 3.94Å; L17-G52 PolarHBondContact N-O 3.03Å; L17-G52 VanDerWaalsContact O-CA 3.31Å; L17-G52 WeakPolarHBondContact O-CA 3.22Å; L17-A54 HydrophobicContact CD1-CB 3.59Å; L17-L81 HydrophobicContact CD2-CD1 3.98Å; L17-L81 HydrophobicContact CD2-CD2 3.8Å; L17-L81 HydrophobicContact CG-CD2 4.37Å
18P93.7Very high93.1Very high3 Ų353.7 Ų53.72%0.01928%0.281CS..  trans-59.7137.6170.626.7-36.1000110.9S20 L21 F77P18-S20 PolarHBondContact O-N 2.92Å; P18-S20 VanDerWaalsContact O-N 3.11Å; P18-L21 HydrophobicContact CG-CD1 3.41Å; P18-L21 VanDerWaalsContact CG-CD1 3.41Å; P18-L21 HydrophobicContact CG-CG 3.69Å; P18-L21 PolarHBondContact O-N 3.35Å; P18-L21 VanDerWaalsContact O-N 3.14Å; P18-F77 HydrophobicContact CB-CB 4.34Å; P18-F77 HydrophobicContact CG-CB 4.03Å; P18-F77 HydrophobicContact CG-CD2 3.66Å; P18-F77 HydrophobicContact CG-CE2 4.4Å; P18-F77 HydrophobicContact CG-CG 4.04Å
19F93.5Very high93.9Very high122 Ų12253.6 Ų53.654%0.53528%0.276SS..THydrogen-bonded Turntrans-64-18.5-174.7-57.2-62000114.1L17 L21 S50L17-F19 PolarHBondContact O-N 3.46Å; F19-L21 VanDerWaalsContact C-N 3.35Å; F19-S50 VanDerWaalsContact CA-OG 3.25Å; F19-S50 WeakPolarHBondContact CA-OG 3.35Å; F19-S50 WeakPolarHBondContact CB-OG 3.31Å; F19-S50 WeakPolarHBondContact CD1-O 3.42Å; F19-S50 WeakPolarHBondContact CE1-O 3.46Å; F19-S50 PolarHBondContact O-OG 3.47Å
20S92.4Very high94.4Very high96 Ų9646.2 Ų46.267%0.67124%0.244SC*.THydrogen-bonded Turntrans-72.6-21.6176.950.30000114P18 T22P18-S20 PolarHBondContact O-N 2.92Å; P18-S20 VanDerWaalsContact O-N 3.11Å; S20-T22 PolarHBondContact O-N 3.03Å
21L92.9Very high94.5Very high19 Ų1951 Ų5110%0.09927%0.265CS..  trans-73.1131.1-176.6-71.8172.8000112L17 P18 F19 D25 I26 I29 F77L17-L21 HydrophobicContact CD2-CD1 4.11Å; P18-L21 HydrophobicContact CG-CD1 3.41Å; P18-L21 VanDerWaalsContact CG-CD1 3.41Å; P18-L21 HydrophobicContact CG-CG 3.69Å; P18-L21 PolarHBondContact O-N 3.35Å; P18-L21 VanDerWaalsContact O-N 3.14Å; F19-L21 VanDerWaalsContact C-N 3.35Å; L21-D25 HydrophobicContact CD2-CB 3.51Å; L21-I26 HydrophobicContact CB-CD1 4.49Å; L21-I26 HydrophobicContact CB-CG1 4.24Å; L21-I29 HydrophobicContact CD1-CD1 4.22Å; L21-I29 HydrophobicContact CD2-CD1 4.08Å; L21-F77 HydrophobicContact CD1-CD2 4.32Å; L21-F77 HydrophobicContact CD1-CE2 3.97Å; L21-F77 HydrophobicContact CD2-CE2 3.96Å; L21-F77 HydrophobicContact CD2-CZ 4.1Å; L21-F77 HydrophobicContact CG-CE2 4.36Å
22T93.9Very high94.6Very high73 Ų7355.5 Ų55.545%0.44829%0.294SS..  trans-91.6172.4174.9710000111.5S20 N24 D25 I26S20-T22 PolarHBondContact O-N 3.03Å; T22-N24 PolarHBondContact O-N 3.34Å; T22-N24 PolarHBondContact OG1-N 2.79Å; T22-D25 WeakPolarHBondContact CB-OD2 3.46Å; T22-D25 PolarHBondContact N-OD2 3.42Å; T22-D25 PolarHBondContact O-N 3.49Å; T22-D25 PolarHBondContact OG1-N 3.46Å; T22-D25 PolarHBondContact OG1-OD2 2.93Å; T22-I26 WeakPolarHBondContact O-CG1 3.33Å; T22-I26 PolarHBondContact O-N 3.26Å
23N94.2Very high94.5Very high71 Ų7157.5 Ų57.538%0.3830%0.301SS..Hα-helixtrans-58.8-32.6174.2-64.7-51.6000112.1H27 V39 V41N23-H27 PolarHBondContact O-N 3.12Å; N23-H27 VanDerWaalsContact O-N 3.13Å; N23-V39 HydrophobicContact CB-CG1 4.22Å; N23-V41 WeakPolarHBondContact OD1-CB 3.45Å; N23-V41 WeakPolarHBondContact OD1-CG2 3.25Å; N23-V41 PolarHBondContact OD1-N 3.23Å
24N95.4Very high94.4Very high96 Ų9654.8 Ų54.851%0.51330%0.296SS..Hα-helixtrans-72.9-44.1-179.1-170.14.7000111.2T22 I26 H27 Q28T22-N24 PolarHBondContact O-N 3.34Å; T22-N24 PolarHBondContact OG1-N 2.79Å; N24-I26 VanDerWaalsContact C-N 3.31Å; N24-I26 PolarHBondContact O-N 2.64Å; N24-H27 WeakPolarHBondContact O-CA 3.46Å; N24-H27 VanDerWaalsContact O-CB 3.31Å; N24-H27 WeakPolarHBondContact O-CB 3.5Å; N24-H27 PolarHBondContact O-N 3.35Å; N24-Q28 WeakPolarHBondContact O-CG 3.22Å; N24-Q28 PolarHBondContact O-N 3.34Å; N24-Q28 PolarHBondContact OD1-NE2 3.25Å
25D94.8Very high94.4Very high55 Ų5561.5 Ų61.529%0.29433%0.325SS..Hα-helixtrans-61.7-42.7179.4-48.8-42000111.1L21 T22 H27 Q28 I29L21-D25 HydrophobicContact CD2-CB 3.51Å; T22-D25 WeakPolarHBondContact CB-OD2 3.46Å; T22-D25 PolarHBondContact N-OD2 3.42Å; T22-D25 PolarHBondContact O-N 3.49Å; T22-D25 PolarHBondContact OG1-N 3.46Å; T22-D25 PolarHBondContact OG1-OD2 2.93Å; D25-H27 VanDerWaalsContact C-N 3.31Å; D25-H27 PolarHBondContact O-N 3.15Å; D25-Q28 PolarHBondContact O-N 2.99Å; D25-I29 WeakPolarHBondContact O-CD1 3.31Å; D25-I29 VanDerWaalsContact O-CG1 3.22Å; D25-I29 WeakPolarHBondContact O-CG1 3.36Å; D25-I29 PolarHBondContact O-N 3.4Å
26I95.1Very high94.4Very high5 Ų561.4 Ų61.43%0.02632%0.324CS..Hα-helixtrans-63.6-39.6175.5-64.8165000110.6L17 L21 T22 N24 Q28 I29 L30 V39 V41 A54 V56L17-I26 HydrophobicContact CD1-CD1 3.94Å; L21-I26 HydrophobicContact CB-CD1 4.49Å; L21-I26 HydrophobicContact CB-CG1 4.24Å; T22-I26 WeakPolarHBondContact O-CG1 3.33Å; T22-I26 PolarHBondContact O-N 3.26Å; N24-I26 VanDerWaalsContact C-N 3.31Å; N24-I26 PolarHBondContact O-N 2.64Å; I26-Q28 VanDerWaalsContact C-N 3.35Å; I26-Q28 PolarHBondContact O-N 2.87Å; I26-I29 PolarHBondContact O-N 3.21Å; I26-L30 HydrophobicContact CG2-CD1 3.54Å; I26-L30 HydrophobicContact CG2-CG 4.18Å; I26-L30 VanDerWaalsContact O-CB 3.31Å; I26-L30 WeakPolarHBondContact O-CB 3.37Å; I26-L30 WeakPolarHBondContact O-CG 3.35Å; I26-L30 PolarHBondContact O-N 3.07Å; I26-V39 HydrophobicContact CB-CG1 4.08Å; I26-V39 HydrophobicContact CG2-CG1 3.85Å; I26-V41 HydrophobicContact CD1-CG2 3.32Å; I26-A54 HydrophobicContact CD1-CB 3.92Å; I26-V56 HydrophobicContact CG2-CG2 4.07Å
27H95.7Very high94.3Very high66 Ų6661.9 Ų61.931%0.30633%0.329SS..Hα-helixtrans-59.5-46.7175.6-177.1-83.2000111.5N23 N24 D25 L30 Q31 V39N23-H27 PolarHBondContact O-N 3.12Å; N23-H27 VanDerWaalsContact O-N 3.13Å; N24-H27 WeakPolarHBondContact O-CA 3.46Å; N24-H27 VanDerWaalsContact O-CB 3.31Å; N24-H27 WeakPolarHBondContact O-CB 3.5Å; N24-H27 PolarHBondContact O-N 3.35Å; D25-H27 VanDerWaalsContact C-N 3.31Å; D25-H27 PolarHBondContact O-N 3.15Å; H27-L30 PolarHBondContact O-N 2.96Å; H27-Q31 PolarHBondContact O-N 3.42Å; H27-V39 HydrophobicContact CB-CG2 4.03Å
28Q95.2Very high94.2Very high107 Ų10768.9 Ų68.950%0.535%0.354SS..Hα-helixtrans-64.7-42.9179.6-68174.944.600112.4N24 D25 I26 L30N24-Q28 WeakPolarHBondContact O-CG 3.22Å; N24-Q28 PolarHBondContact O-N 3.34Å; N24-Q28 PolarHBondContact OD1-NE2 3.25Å; D25-Q28 PolarHBondContact O-N 2.99Å; I26-Q28 VanDerWaalsContact C-N 3.35Å; I26-Q28 PolarHBondContact O-N 2.87Å; Q28-L30 PolarHBondContact O-N 3.34Å
29I93.5Very high94.3Very high45 Ų4569.9 Ų69.923%0.23136%0.36CS..Hα-helixtrans-61.9-34.1176.9-67.9162.2000111.3L21 D25 I26 P32 Y33 M76 F77L21-I29 HydrophobicContact CD1-CD1 4.22Å; L21-I29 HydrophobicContact CD2-CD1 4.08Å; D25-I29 WeakPolarHBondContact O-CD1 3.31Å; D25-I29 VanDerWaalsContact O-CG1 3.22Å; D25-I29 WeakPolarHBondContact O-CG1 3.36Å; D25-I29 PolarHBondContact O-N 3.4Å; I26-I29 PolarHBondContact O-N 3.21Å; I29-P32 WeakPolarHBondContact O-CD 3.44Å; I29-Y33 WeakPolarHBondContact O-CE2 3.44Å; I29-M76 HydrophobicContact CD1-CE 3.91Å; I29-M76 HydrophobicContact CG1-CE 4.17Å; I29-M76 HydrophobicContact CG2-CE 3.92Å; I29-M76 HydrophobicContact CG2-SD 4.07Å; I29-F77 HydrophobicContact CD1-CE2 4.34Å
30L94.8Very high94.3Very high2 Ų266.7 Ų66.71%0.0135%0.351CS..Hα-helixtrans-92.8-18.1-173.8-63-179000114.8I14 I26 H27 Q28 P32 Y33 V36 V56 F58 L71I14-L30 HydrophobicContact CD1-CD1 3.63Å; I14-L30 HydrophobicContact CD1-CD2 3.95Å; I14-L30 HydrophobicContact CD1-CG 4.4Å; I26-L30 HydrophobicContact CG2-CD1 3.54Å; I26-L30 HydrophobicContact CG2-CG 4.18Å; I26-L30 VanDerWaalsContact O-CB 3.31Å; I26-L30 WeakPolarHBondContact O-CB 3.37Å; I26-L30 WeakPolarHBondContact O-CG 3.35Å; I26-L30 PolarHBondContact O-N 3.07Å; H27-L30 PolarHBondContact O-N 2.96Å; Q28-L30 PolarHBondContact O-N 3.34Å; L30-P32 VanDerWaalsContact C-N 3.34Å; L30-Y33 HydrophobicContact CD2-CD2 4.24Å; L30-Y33 HydrophobicContact CD2-CE2 4.39Å; L30-Y33 PolarHBondContact O-N 3.48Å; L30-V36 HydrophobicContact CB-CG2 4.05Å; L30-V56 HydrophobicContact CD1-CB 3.97Å; L30-V56 HydrophobicContact CD1-CG1 3.73Å; L30-V56 HydrophobicContact CD1-CG2 3.53Å; L30-F58 HydrophobicContact CB-CZ 4.25Å; L30-L71 HydrophobicContact CD2-CD1 3.2Å; L30-L71 HydrophobicContact CD2-CG 4.45Å
31Q94.8Very high94.4Very high120 Ų12063 Ų6356%0.56133%0.325SS*.G310 helixtrans-47.6-41.8176.2-172.7171.9-35.800115H27 Y33 G34H27-Q31 PolarHBondContact O-N 3.42Å; Q31-Y33 PolarHBondContact O-N 2.99Å; Q31-G34 PolarHBondContact O-N 3.47Å
32P94.7Very high94.4Very high105 Ų10564.2 Ų64.268%0.68233%0.333SS*.G310 helixtrans-69.1-17.2179.426.1-36.4000114.5I29 L30I29-P32 WeakPolarHBondContact O-CD 3.44Å; L30-P32 VanDerWaalsContact C-N 3.34Å
33Y94.3Very high94.4Very high41 Ų4166.1 Ų66.116%0.16133%0.334CS..G310 helixtrans-86.2-19.2179.1-57.5-82.7000113I29 L30 Q31 C67 K70 L71I29-Y33 WeakPolarHBondContact O-CE2 3.44Å; L30-Y33 HydrophobicContact CD2-CD2 4.24Å; L30-Y33 HydrophobicContact CD2-CE2 4.39Å; L30-Y33 PolarHBondContact O-N 3.48Å; Q31-Y33 PolarHBondContact O-N 2.99Å; Y33-C67 HydrophobicContact CG-CB 4.12Å; Y33-K70 HydrophobicContact CD1-CB 4.19Å; Y33-K70 HydrophobicContact CD1-CD 3.8Å; Y33-K70 HydrophobicContact CE1-CB 3.59Å; Y33-K70 HydrophobicContact CE1-CD 3.63Å; Y33-K70 HydrophobicContact CE1-CG 4.26Å; Y33-L71 HydrophobicContact CE2-CD1 4.36Å; Y33-L71 HydrophobicContact CE2-CD2 3.89Å; Y33-L71 HydrophobicContact CE2-CG 4.18Å; Y33-L71 WeakPolarHBondContact OH-CD2 3.34Å
34G94Very high94.4Very high16 Ų1664.9 Ų64.917%0.16533%0.328CS..SBendtrans160179.6-179.400000113.8Q31 V36 D63Q31-G34 PolarHBondContact O-N 3.47Å; G34-V36 PolarHBondContact O-N 3.29Å; G34-D63 VanDerWaalsContact CA-OD2 3.24Å; G34-D63 WeakPolarHBondContact CA-OD2 3.45Å
35K95.1Very high94.2Very high145 Ų14569.5 Ų69.563%0.6334%0.343SS*.  trans-79.2111-177.7-171.6166.2177179.30111.3L59 D63K35-L59 HydrophobicContact CB-CB 4.19Å; K35-L59 HydrophobicContact CD-CD2 3.94Å; K35-L59 HydrophobicContact CG-CB 4.48Å; K35-L59 PolarHBondContact O-N 3.43Å; K35-D63 PolarHBondContact N-OD2 3.05Å
36V95.2Very high94.1Very high18 Ų1875.6 Ų75.611%0.10937%0.37CS..EExtended strand (participates in β ladder)trans-81.4128.6178.2-177.90000110.3L30 G34 V39 V56 F58L30-V36 HydrophobicContact CB-CG2 4.05Å; G34-V36 PolarHBondContact O-N 3.29Å; V36-V39 HydrophobicContact CG1-CG2 3.64Å; V36-V56 HydrophobicContact CG1-CG1 3.64Å; V36-V56 HydrophobicContact CG2-CG1 4.21Å; V36-F58 HydrophobicContact CG2-CD1 4.21Å; V36-F58 HydrophobicContact CG2-CE1 3.71Å; V36-F58 HydrophobicContact CG2-CZ 4.13Å
37V93.4Very high93.9Very high83 Ų8378.1 Ų78.150%0.50339%0.388SS..EExtended strand (participates in β ladder)trans-94.9-41177.6177.40000110.9L57 L59V37-L57 HydrophobicContact CB-CB 4.49Å; V37-L57 HydrophobicContact CB-CD2 4.1Å; V37-L57 HydrophobicContact CB-CG 4.08Å; V37-L57 HydrophobicContact CG1-CD2 3.93Å; V37-L57 HydrophobicContact CG1-CG 4.47Å; V37-L57 PolarHBondContact N-O 3.09Å; V37-L59 HydrophobicContact CG2-CB 3.93Å; V37-L59 HydrophobicContact CG2-CD1 4.18Å
38R92.3Very high93.6Very high159 Ų15983.7 Ų83.760%0.641%0.407SS*.EExtended strand (participates in β ladder)trans-154134.4-177.5-175.7176.7176.6158.64.6111.2T40 V56 L57R38-T40 PolarHBondContact NE-OG1 2.95Å; R38-V56 CarbonylContact O-C 3.59Å; R38-V56 WeakPolarHBondContact O-CA 3.43Å; R38-L57 HydrophobicContact CB-CB 4.14Å; R38-L57 PolarHBondContact N-O 3.49Å; R38-L57 PolarHBondContact O-N 2.81Å
39V94.7Very high93.5Very high23 Ų2386 Ų8614%0.13942%0.415CS..EExtended strand (participates in β ladder)trans-109.1138.2169.1-179.10000108.7N23 I26 H27 V36 V56N23-V39 HydrophobicContact CB-CG1 4.22Å; I26-V39 HydrophobicContact CB-CG1 4.08Å; I26-V39 HydrophobicContact CG2-CG1 3.85Å; H27-V39 HydrophobicContact CB-CG2 4.03Å; V36-V39 HydrophobicContact CG1-CG2 3.64Å; V39-V56 HydrophobicContact CG1-CG2 4.26Å; V39-V56 HydrophobicContact CG2-CG1 4.25Å; V39-V56 HydrophobicContact CG2-CG2 4.38Å
40T93.4Very high93.5Very high56 Ų5685 Ų8534%0.34441%0.412SS..EExtended strand (participates in β ladder)trans-140.3101.5176.5-62.50000109.5R38 A54 F55R38-T40 PolarHBondContact NE-OG1 2.95Å; T40-A54 WeakPolarHBondContact O-CA 3.32Å; T40-F55 PolarHBondContact N-O 3.28Å; T40-F55 PolarHBondContact O-N 2.88Å
41V94.9Very high93.5Very high19 Ų1990 Ų9012%0.11543%0.434CS..EExtended strand (participates in β ladder)trans-77.4127.6171.5175.30000110N23 I26 K43 A54N23-V41 WeakPolarHBondContact OD1-CB 3.45Å; N23-V41 WeakPolarHBondContact OD1-CG2 3.25Å; N23-V41 PolarHBondContact OD1-N 3.23Å; I26-V41 HydrophobicContact CD1-CG2 3.32Å; V41-K43 HydrophobicContact CG1-CG 4.49Å; V41-K43 PolarHBondContact O-N 2.83Å; V41-A54 HydrophobicContact CG2-CB 4.14Å
42V93.4Very high93.5Very high44 Ų4484.5 Ų84.527%0.26741%0.409SS..EExtended strand (participates in β ladder)trans-74.2120175.2-1760000108.5K51 V53 F55V42-K51 HydrophobicContact CG1-CB 4.37Å; V42-K51 HydrophobicContact CG1-CD 3.99Å; V42-K51 HydrophobicContact CG1-CG 4.23Å; V42-K51 PolarHBondContact O-N 3.41Å; V42-V53 HydrophobicContact CB-CB 4.24Å; V42-V53 HydrophobicContact CB-CG1 4.44Å; V42-V53 HydrophobicContact CG2-CB 4.25Å; V42-V53 HydrophobicContact CG2-CG1 3.91Å; V42-V53 PolarHBondContact N-O 3.37Å; V42-F55 HydrophobicContact CG2-CD2 3.74Å; V42-F55 HydrophobicContact CG2-CE2 3.53Å
43K94.5Very high93.5Very high112 Ų11280.7 Ų80.749%0.48738%0.384SS..EExtended strand (participates in β ladder)trans-110152.2173.9-62.2-175.3179.7-171.30110.2V41 K49V41-K43 HydrophobicContact CG1-CG 4.49Å; V41-K43 PolarHBondContact O-N 2.83Å; K43-K49 CarbonylContact C-O 3.57Å; K43-K49 VanDerWaalsContact CA-O 3.31Å; K43-K49 WeakPolarHBondContact CA-O 3.17Å
44D93.3Very high93.5Very high46 Ų4678.8 Ų78.825%0.24638%0.376CS..  trans-72.2144.8171.1-166.842000111.6S47 R48 K49 K51D44-S47 WeakPolarHBondContact CB-OG 3.43Å; D44-S47 PolarHBondContact OD2-N 3.15Å; D44-S47 PolarHBondContact OD2-OG 3.15Å; D44-R48 VanDerWaalsContact O-CA 3.27Å; D44-R48 WeakPolarHBondContact O-CA 3.34Å; D44-R48 PolarHBondContact O-N 3.43Å; D44-K49 PolarHBondContact N-O 3.38Å; D44-K51 HydrophobicContact CB-CG 4.37Å; D44-K51 WeakPolarHBondContact OD1-CE 3.03Å; D44-K51 IonicContact OD1-NZ 3.73Å; D44-K51 PolarHBondContact OD1-NZ 3.4Å
45K90.6Very high93.6Very high192 Ų19281.5 Ų81.584%0.83538%0.384SS*.THydrogen-bonded Turntrans-74.1-37.8-172.1-67.2-173.4177.4-147.40111.7
46E92.5Very high93.6Very high183 Ų18374.6 Ų74.686%0.85535%0.354SS*.THydrogen-bonded Turntrans-86.7-60.1-176.9-64.3172.5-167.800110.4R48E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 3.45Å
47S92.3Very high93.5Very high59 Ų5976.2 Ų76.241%0.41336%0.362SS..THydrogen-bonded Turntrans-75.4-13.4-175.165.30000114.5D44 K49D44-S47 WeakPolarHBondContact CB-OG 3.43Å; D44-S47 PolarHBondContact OD2-N 3.15Å; D44-S47 PolarHBondContact OD2-OG 3.15Å; S47-K49 PolarHBondContact O-N 2.91Å
48R89.7Confident93.6Very high183 Ų18372.3 Ų72.369%0.69134%0.338SS*.  trans56.36.7-173.2-60.7-70.1-68.3-150.5-7.1114.9D44 E46D44-R48 VanDerWaalsContact O-CA 3.27Å; D44-R48 WeakPolarHBondContact O-CA 3.34Å; D44-R48 PolarHBondContact O-N 3.43Å; E46-R48 VanDerWaalsContact C-N 3.28Å; E46-R48 PolarHBondContact O-N 3.45Å
49K92.2Very high93.6Very high155 Ų15569.4 Ų69.467%0.67433%0.334SS*.  trans-75.5151.8176.4-64.9179.7-176.2179.50110.4K43 D44 S47K43-K49 CarbonylContact C-O 3.57Å; K43-K49 VanDerWaalsContact CA-O 3.31Å; K43-K49 WeakPolarHBondContact CA-O 3.17Å; D44-K49 PolarHBondContact N-O 3.38Å; S47-K49 PolarHBondContact O-N 2.91Å
50S93.6Very high93.6Very high24 Ų2472.4 Ų72.417%0.16835%0.349CS..EExtended strand (participates in β ladder)trans-66.3139174.348.30000110F19 G52F19-S50 VanDerWaalsContact CA-OG 3.25Å; F19-S50 WeakPolarHBondContact CA-OG 3.35Å; F19-S50 WeakPolarHBondContact CB-OG 3.31Å; F19-S50 WeakPolarHBondContact CD1-O 3.42Å; F19-S50 WeakPolarHBondContact CE1-O 3.46Å; F19-S50 PolarHBondContact O-OG 3.47Å; S50-G52 PolarHBondContact O-N 2.98Å
51K94.3Very high93.6Very high107 Ų10775.4 Ų75.447%0.46536%0.357SS..EExtended strand (participates in β ladder)trans-83.94.5174.4-61.7-160.4-178.6-156.80113V42 D44 V53V42-K51 HydrophobicContact CG1-CB 4.37Å; V42-K51 HydrophobicContact CG1-CD 3.99Å; V42-K51 HydrophobicContact CG1-CG 4.23Å; V42-K51 PolarHBondContact O-N 3.41Å; D44-K51 HydrophobicContact CB-CG 4.37Å; D44-K51 WeakPolarHBondContact OD1-CE 3.03Å; D44-K51 IonicContact OD1-NZ 3.73Å; D44-K51 PolarHBondContact OD1-NZ 3.4Å; K51-V53 VanDerWaalsContact C-N 3.27Å; K51-V53 PolarHBondContact O-N 3.21Å
52G94.3Very high93.6Very high4 Ų480.7 Ų80.74%0.04139%0.385CS..EExtended strand (participates in β ladder)trans69.225.1-173.600000113.4N16 L17 S50N16-G52 PolarHBondContact N-O 3.25Å; N16-G52 VanDerWaalsContact N-O 3.12Å; L17-G52 PolarHBondContact N-O 3.03Å; L17-G52 VanDerWaalsContact O-CA 3.31Å; L17-G52 WeakPolarHBondContact O-CA 3.22Å; S50-G52 PolarHBondContact O-N 2.98Å
53V95.4Very high93.7Very high26 Ų2680.6 Ų80.616%0.15838%0.383CS..EExtended strand (participates in β ladder)trans-131.6137-177.2175.40000109.9Y13 I14 V42 K51 F55Y13-V53 HydrophobicContact CD2-CG1 3.99Å; Y13-V53 HydrophobicContact CE2-CG1 3.25Å; I14-V53 CarbonylContact O-C 3.59Å; I14-V53 WeakPolarHBondContact O-CA 3.39Å; V42-V53 HydrophobicContact CB-CB 4.24Å; V42-V53 HydrophobicContact CB-CG1 4.44Å; V42-V53 HydrophobicContact CG2-CB 4.25Å; V42-V53 HydrophobicContact CG2-CG1 3.91Å; V42-V53 PolarHBondContact N-O 3.37Å; K51-V53 VanDerWaalsContact C-N 3.27Å; K51-V53 PolarHBondContact O-N 3.21Å; V53-F55 HydrophobicContact CG1-CE2 4.41Å
54A95.4Very high93.8Very high0 Ų075.3 Ų75.30%036%0.36CS..EExtended strand (participates in β ladder)trans-136.1146.8176.900000112.2I14 L17 I26 T40 V41I14-A54 PolarHBondContact N-O 3.2Å; I14-A54 PolarHBondContact O-N 3.01Å; L17-A54 HydrophobicContact CD1-CB 3.59Å; I26-A54 HydrophobicContact CD1-CB 3.92Å; T40-A54 WeakPolarHBondContact O-CA 3.32Å; V41-A54 HydrophobicContact CG2-CB 4.14Å
55F94.9Very high93.9Very high73 Ų7378.9 Ų78.932%0.3237%0.373SS..EExtended strand (participates in β ladder)trans-111128.3169.2-67.1-86.1000109.2T11 V12 Y13 T40 V42 V53 A86T11-F55 HydrophobicContact CG2-CB 4.35Å; T11-F55 HydrophobicContact CG2-CD1 4.39Å; V12-F55 WeakPolarHBondContact O-CA 3.16Å; Y13-F55 HydrophobicContact CD2-CD1 4.21Å; Y13-F55 AromaticContact CD2-CE1 3.59Å; Y13-F55 HydrophobicContact CD2-CE1 3.59Å; Y13-F55 HydrophobicContact CD2-CE2 4.45Å; Y13-F55 AromaticContact CD2-CZ 3.72Å; Y13-F55 HydrophobicContact CD2-CZ 3.72Å; Y13-F55 HydrophobicContact CE2-CE1 4.4Å; Y13-F55 HydrophobicContact CE2-CZ 4.09Å; Y13-F55 HydrophobicContact CG-CE1 4.47Å; T40-F55 PolarHBondContact N-O 3.28Å; T40-F55 PolarHBondContact O-N 2.88Å; V42-F55 HydrophobicContact CG2-CD2 3.74Å; V42-F55 HydrophobicContact CG2-CE2 3.53Å; V53-F55 HydrophobicContact CG1-CE2 4.41Å; F55-A86 HydrophobicContact CD1-CB 4.1Å; F55-A86 HydrophobicContact CE1-CB 4.26Å
56V95.1Very high94.1Very high0 Ų072.7 Ų72.70%035%0.35CS..EExtended strand (participates in β ladder)trans-127.7117.5-175.6-176.20000109.5T11 V12 I14 I26 L30 V36 R38 V39 F58T11-V56 CarbonylContact C-O 3.59Å; T11-V56 VanDerWaalsContact CA-O 3.31Å; T11-V56 WeakPolarHBondContact CA-O 3.31Å; V12-V56 PolarHBondContact N-O 3.47Å; V12-V56 PolarHBondContact O-N 2.94Å; I14-V56 HydrophobicContact CD1-CG2 4.28Å; I26-V56 HydrophobicContact CG2-CG2 4.07Å; L30-V56 HydrophobicContact CD1-CB 3.97Å; L30-V56 HydrophobicContact CD1-CG1 3.73Å; L30-V56 HydrophobicContact CD1-CG2 3.53Å; V36-V56 HydrophobicContact CG1-CG1 3.64Å; V36-V56 HydrophobicContact CG2-CG1 4.21Å; R38-V56 CarbonylContact O-C 3.59Å; R38-V56 WeakPolarHBondContact O-CA 3.43Å; V39-V56 HydrophobicContact CG1-CG2 4.26Å; V39-V56 HydrophobicContact CG2-CG1 4.25Å; V39-V56 HydrophobicContact CG2-CG2 4.38Å; V56-F58 HydrophobicContact CB-CE2 4.31Å; V56-F58 HydrophobicContact CG1-CD2 4.25Å; V56-F58 HydrophobicContact CG1-CE2 3.79Å; V56-F58 HydrophobicContact CG1-CZ 4.18Å
57L93.9Very high94.2Very high52 Ų5264 Ų6427%0.27231%0.309SS..EExtended strand (participates in β ladder)trans-89.7118.2175.8178.764.9000109S8 S10 V37 R38S8-L57 WeakPolarHBondContact OG-CD1 3.02Å; S10-L57 WeakPolarHBondContact OG-CD1 3.46Å; V37-L57 HydrophobicContact CB-CB 4.49Å; V37-L57 HydrophobicContact CB-CD2 4.1Å; V37-L57 HydrophobicContact CB-CG 4.08Å; V37-L57 HydrophobicContact CG1-CD2 3.93Å; V37-L57 HydrophobicContact CG1-CG 4.47Å; V37-L57 PolarHBondContact N-O 3.09Å; R38-L57 HydrophobicContact CB-CB 4.14Å; R38-L57 PolarHBondContact N-O 3.49Å; R38-L57 PolarHBondContact O-N 2.81Å
58F95.4Very high94.4Very high2 Ų261.3 Ų61.31%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-90156.2168.5-72.3-91.5000110.9S10 V12 L30 V36 V56 D60 D63 A64 C67S10-F58 WeakPolarHBondContact CB-O 3.48Å; S10-F58 PolarHBondContact O-N 3Å; S10-F58 PolarHBondContact OG-O 3.32Å; V12-F58 HydrophobicContact CB-CE2 4.17Å; V12-F58 HydrophobicContact CG2-CD2 3.75Å; V12-F58 HydrophobicContact CG2-CE2 3.59Å; L30-F58 HydrophobicContact CB-CZ 4.25Å; V36-F58 HydrophobicContact CG2-CD1 4.21Å; V36-F58 HydrophobicContact CG2-CE1 3.71Å; V36-F58 HydrophobicContact CG2-CZ 4.13Å; V56-F58 HydrophobicContact CB-CE2 4.31Å; V56-F58 HydrophobicContact CG1-CD2 4.25Å; V56-F58 HydrophobicContact CG1-CE2 3.79Å; V56-F58 HydrophobicContact CG1-CZ 4.18Å; F58-D60 WeakPolarHBondContact CB-O 3.49Å; F58-D63 HydrophobicContact CB-CB 4.42Å; F58-D63 HydrophobicContact CD1-CB 4.05Å; F58-D63 HydrophobicContact CG-CB 4.41Å; F58-A64 HydrophobicContact CB-CB 4.15Å; F58-A64 HydrophobicContact CD2-CB 3.9Å; F58-A64 HydrophobicContact CG-CB 4.26Å; F58-C67 HydrophobicContact CE2-CB 4.03Å; F58-C67 HydrophobicContact CZ-CB 3.82Å; F58-C67 WeakPolarHBondContact CZ-SG 3.33Å
59L92.9Very high94.7Very high98 Ų9857 Ų5751%0.51328%0.281SS..SBendtrans-63.4-48.9172.6-175.365.2000110K35 V37K35-L59 HydrophobicContact CB-CB 4.19Å; K35-L59 HydrophobicContact CD-CD2 3.94Å; K35-L59 HydrophobicContact CG-CB 4.48Å; K35-L59 PolarHBondContact O-N 3.43Å; V37-L59 HydrophobicContact CG2-CB 3.93Å; V37-L59 HydrophobicContact CG2-CD1 4.18Å
60D93.8Very high94.8Very high86 Ų8655.4 Ų55.446%0.4627%0.274SS..SBendtrans-105145.9-177.7-70.5-54.4000112.9F58 N62 D63 A64F58-D60 WeakPolarHBondContact CB-O 3.49Å; D60-N62 VanDerWaalsContact C-N 3.35Å; D60-D63 HydrophobicContact CB-CB 4.38Å; D60-A64 PolarHBondContact O-N 3.48Å
61K93.9Very high94.9Very high119 Ų11954.3 Ų54.352%0.51727%0.266SS..Hα-helixtrans-68.7-34.6177.4-176.3-171.5170.3-153.80112K9 A64 F65K9-K61 HydrophobicContact CB-CD 4.04Å; K9-K61 HydrophobicContact CB-CG 4.22Å; K61-A64 WeakPolarHBondContact O-CB 3.39Å; K61-A64 PolarHBondContact O-N 2.92Å; K61-F65 PolarHBondContact O-N 2.8Å; K61-F65 VanDerWaalsContact O-N 3.15Å
62N95.2Very high94.9Very high129 Ų12952.6 Ų52.669%0.6926%0.262SS*.Hα-helixtrans-69.1-41.9-177.6-65.1-22.5000111D60 A64 F65 N66D60-N62 VanDerWaalsContact C-N 3.35Å; N62-A64 VanDerWaalsContact C-N 3.33Å; N62-A64 PolarHBondContact O-N 3.42Å; N62-F65 PolarHBondContact O-N 3.26Å; N62-F65 VanDerWaalsContact O-N 3.15Å; N62-N66 WeakPolarHBondContact O-CB 3.32Å; N62-N66 PolarHBondContact O-N 3.01Å
63D95.3Very high94.8Very high43 Ų4357.5 Ų57.523%0.2329%0.287CS..Hα-helixtrans-58-45.4173.7-68.56.2000111.5G34 K35 F58 D60 F65 N66 C67G34-D63 VanDerWaalsContact CA-OD2 3.24Å; G34-D63 WeakPolarHBondContact CA-OD2 3.45Å; K35-D63 PolarHBondContact N-OD2 3.05Å; F58-D63 HydrophobicContact CB-CB 4.42Å; F58-D63 HydrophobicContact CD1-CB 4.05Å; F58-D63 HydrophobicContact CG-CB 4.41Å; D60-D63 HydrophobicContact CB-CB 4.38Å; D63-F65 VanDerWaalsContact C-N 3.31Å; D63-F65 PolarHBondContact O-N 3.21Å; D63-N66 PolarHBondContact O-N 3.29Å; D63-C67 WeakPolarHBondContact O-CB 3.41Å; D63-C67 PolarHBondContact O-N 3.4Å
64A95.5Very high94.7Very high0 Ų058.9 Ų58.90%029%0.293CS..Hα-helixtrans-58.6-42175.800000112.3S10 V12 F58 D60 K61 N62 A68 I85S10-A64 WeakPolarHBondContact O-CB 3.41Å; V12-A64 HydrophobicContact CG2-CB 3.68Å; V12-A64 VanDerWaalsContact CG2-O 3.24Å; V12-A64 WeakPolarHBondContact CG2-O 3.5Å; F58-A64 HydrophobicContact CB-CB 4.15Å; F58-A64 HydrophobicContact CD2-CB 3.9Å; F58-A64 HydrophobicContact CG-CB 4.26Å; D60-A64 PolarHBondContact O-N 3.48Å; K61-A64 WeakPolarHBondContact O-CB 3.39Å; K61-A64 PolarHBondContact O-N 2.92Å; N62-A64 VanDerWaalsContact C-N 3.33Å; N62-A64 PolarHBondContact O-N 3.42Å; A64-A68 VanDerWaalsContact O-CB 3.31Å; A64-A68 WeakPolarHBondContact O-CB 3.44Å; A64-A68 PolarHBondContact O-N 3.18Å; A64-I85 HydrophobicContact CB-CD1 4.23Å
65F95.3Very high94.6Very high121 Ų12166.4 Ų66.453%0.53133%0.328SS..Hα-helixtrans-69.1-43.8178.7-171.2-104.7000112.3K61 N62 D63 A68 N69 I85K61-F65 PolarHBondContact O-N 2.8Å; K61-F65 VanDerWaalsContact O-N 3.15Å; N62-F65 PolarHBondContact O-N 3.26Å; N62-F65 VanDerWaalsContact O-N 3.15Å; D63-F65 VanDerWaalsContact C-N 3.31Å; D63-F65 PolarHBondContact O-N 3.21Å; F65-A68 PolarHBondContact O-N 3.47Å; F65-N69 WeakPolarHBondContact CD1-ND2 3.35Å; F65-N69 WeakPolarHBondContact CE1-ND2 3.14Å; F65-N69 WeakPolarHBondContact CZ-ND2 3.24Å; F65-N69 VanDerWaalsContact O-CG 3.29Å; F65-N69 PolarHBondContact O-N 2.81Å; F65-N69 PolarHBondContact O-ND2 3.16Å; F65-I85 HydrophobicContact CD2-CG1 4.36Å
66N95.5Very high94.3Very high63 Ų6364.7 Ų64.734%0.33732%0.321SS..Hα-helixtrans-60.4-46.3175.4-173.326000111.5N62 D63 N69 K70N62-N66 WeakPolarHBondContact O-CB 3.32Å; N62-N66 PolarHBondContact O-N 3.01Å; D63-N66 PolarHBondContact O-N 3.29Å; N66-N69 PolarHBondContact O-N 3.22Å; N66-K70 WeakPolarHBondContact O-CB 3.24Å; N66-K70 WeakPolarHBondContact O-CG 3.31Å; N66-K70 PolarHBondContact O-N 3.15Å; N66-K70 WeakPolarHBondContact OD1-CD 3.05Å; N66-K70 WeakPolarHBondContact OD1-CE 3.44Å; N66-K70 PolarHBondContact OD1-NZ 3.16Å
67C95.4Very high94Very high0 Ų070.7 Ų70.70%035%0.348CS..Hα-helixtrans-58.4-50.2175.1-179.30000111.4Y33 F58 D63 N69 K70 L71Y33-C67 HydrophobicContact CG-CB 4.12Å; F58-C67 HydrophobicContact CE2-CB 4.03Å; F58-C67 HydrophobicContact CZ-CB 3.82Å; F58-C67 WeakPolarHBondContact CZ-SG 3.33Å; D63-C67 WeakPolarHBondContact O-CB 3.41Å; D63-C67 PolarHBondContact O-N 3.4Å; C67-N69 PolarHBondContact O-N 3.46Å; C67-K70 PolarHBondContact O-N 3.33Å; C67-L71 VanDerWaalsContact O-CB 3.3Å; C67-L71 WeakPolarHBondContact O-CB 3.26Å; C67-L71 WeakPolarHBondContact O-CG 3.3Å; C67-L71 PolarHBondContact O-N 3.37Å; C67-L71 WeakPolarHBondContact SG-CD1 3.41Å
68A96Very high93.9Very high2 Ų272.2 Ų72.22%0.01738%0.376CS..Hα-helixtrans-58.7-45.4178.900000111.9V12 A64 F65 N72 I85V12-A68 HydrophobicContact CG1-CB 4.24Å; A64-A68 VanDerWaalsContact O-CB 3.31Å; A64-A68 WeakPolarHBondContact O-CB 3.44Å; A64-A68 PolarHBondContact O-N 3.18Å; F65-A68 PolarHBondContact O-N 3.47Å; A68-N72 VanDerWaalsContact O-CB 3.22Å; A68-N72 WeakPolarHBondContact O-CB 3.42Å; A68-N72 PolarHBondContact O-N 2.93Å; A68-N72 VanDerWaalsContact O-N 3.09Å; A68-I85 HydrophobicContact CB-CD1 4.29Å
69N95.5Very high93.7Very high92 Ų9276.7 Ų76.749%0.49239%0.393SS..Hα-helixtrans-68.3-41.8-178.6-68.4-14.5000112.9F65 N66 C67F65-N69 WeakPolarHBondContact CD1-ND2 3.35Å; F65-N69 WeakPolarHBondContact CE1-ND2 3.14Å; F65-N69 WeakPolarHBondContact CZ-ND2 3.24Å; F65-N69 VanDerWaalsContact O-CG 3.29Å; F65-N69 PolarHBondContact O-N 2.81Å; F65-N69 PolarHBondContact O-ND2 3.16Å; N66-N69 PolarHBondContact O-N 3.22Å; C67-N69 PolarHBondContact O-N 3.46Å
70K94.8Very high93.9Very high122 Ų12275.1 Ų75.153%0.5339%0.387SS..Hα-helixtrans-72.8-35-178.7-73179.3175.4176.70113.1Y33 N66 C67Y33-K70 HydrophobicContact CD1-CB 4.19Å; Y33-K70 HydrophobicContact CD1-CD 3.8Å; Y33-K70 HydrophobicContact CE1-CB 3.59Å; Y33-K70 HydrophobicContact CE1-CD 3.63Å; Y33-K70 HydrophobicContact CE1-CG 4.26Å; N66-K70 WeakPolarHBondContact O-CB 3.24Å; N66-K70 WeakPolarHBondContact O-CG 3.31Å; N66-K70 PolarHBondContact O-N 3.15Å; N66-K70 WeakPolarHBondContact OD1-CD 3.05Å; N66-K70 WeakPolarHBondContact OD1-CE 3.44Å; N66-K70 PolarHBondContact OD1-NZ 3.16Å; C67-K70 PolarHBondContact O-N 3.33Å
71L94.4Very high93.9Very high2 Ų271.2 Ų71.21%0.0137%0.367CS..Hα-helixtrans-82.5-20.3179.6-69.9174.5000113.3I14 L30 Y33 C67 N73 M74 A83I14-L71 HydrophobicContact CD1-CD1 4.15Å; L30-L71 HydrophobicContact CD2-CD1 3.2Å; L30-L71 HydrophobicContact CD2-CG 4.45Å; Y33-L71 HydrophobicContact CE2-CD1 4.36Å; Y33-L71 HydrophobicContact CE2-CD2 3.89Å; Y33-L71 HydrophobicContact CE2-CG 4.18Å; Y33-L71 WeakPolarHBondContact OH-CD2 3.34Å; C67-L71 VanDerWaalsContact O-CB 3.3Å; C67-L71 WeakPolarHBondContact O-CB 3.26Å; C67-L71 WeakPolarHBondContact O-CG 3.3Å; C67-L71 PolarHBondContact O-N 3.37Å; C67-L71 WeakPolarHBondContact SG-CD1 3.41Å; L71-N73 PolarHBondContact O-N 2.9Å; L71-M74 HydrophobicContact CD2-CE 3.28Å; L71-M74 HydrophobicContact CD2-SD 4.01Å; L71-M74 WeakPolarHBondContact O-CB 3.49Å; L71-M74 PolarHBondContact O-N 2.75Å; L71-M74 VanDerWaalsContact O-N 3.1Å; L71-A83 HydrophobicContact CB-CB 3.62Å
72N94.8Very high94Very high71 Ų7171.1 Ų71.138%0.3837%0.366SS..THydrogen-bonded Turntrans-65.4120.6-179.9-168.234.3000110.2A68 M74A68-N72 VanDerWaalsContact O-CB 3.22Å; A68-N72 WeakPolarHBondContact O-CB 3.42Å; A68-N72 PolarHBondContact O-N 2.93Å; A68-N72 VanDerWaalsContact O-N 3.09Å; N72-M74 VanDerWaalsContact C-N 3.29Å; N72-M74 PolarHBondContact O-N 2.78Å
73N93.5Very high94Very high106 Ų10665.2 Ų65.257%0.56734%0.335SS*.THydrogen-bonded Turntrans68.816.8-174.6-50-50.8000115.4L71 L81L71-N73 PolarHBondContact O-N 2.9Å; N73-L81 VanDerWaalsContact CA-O 3.31Å; N73-L81 WeakPolarHBondContact CA-O 3.11Å; N73-L81 PolarHBondContact N-O 3.22Å
74M93Very high94.1Very high55 Ų5565.8 Ų65.827%0.27134%0.342SS..  trans-75.4134.6173.4-165.7170.982.300110.8L71 N72 M76 L81L71-M74 HydrophobicContact CD2-CE 3.28Å; L71-M74 HydrophobicContact CD2-SD 4.01Å; L71-M74 WeakPolarHBondContact O-CB 3.49Å; L71-M74 PolarHBondContact O-N 2.75Å; L71-M74 VanDerWaalsContact O-N 3.1Å; N72-M74 VanDerWaalsContact C-N 3.29Å; N72-M74 PolarHBondContact O-N 2.78Å; M74-M76 HydrophobicContact CE-CE 4.47Å; M74-M76 HydrophobicContact CE-CG 3.5Å; M74-M76 VanDerWaalsContact CE-CG 3.5Å; M74-M76 HydrophobicContact CE-SD 3.27Å; M74-M76 WeakPolarHBondContact CE-SD 3.26Å; M74-L81 PolarHBondContact O-N 3.07Å
75Q92.8Very high94Very high159 Ų15968.4 Ų68.474%0.74336%0.356SS*.EExtended strand (participates in β ladder)trans-84.8121.3174.8-68.7-176.21100110.3R79 T80Q75-R79 WeakPolarHBondContact CA-O 3.47Å; Q75-T80 HydrophobicContact CG-CG2 3.72Å
76M88.9Confident94Very high37 Ų3763 Ų6318%0.18233%0.334CS..EExtended strand (participates in β ladder)trans-136.5135.6173.6-67.1-166.676.800110I29 M74 G78 R79 L81I29-M76 HydrophobicContact CD1-CE 3.91Å; I29-M76 HydrophobicContact CG1-CE 4.17Å; I29-M76 HydrophobicContact CG2-CE 3.92Å; I29-M76 HydrophobicContact CG2-SD 4.07Å; M74-M76 HydrophobicContact CE-CE 4.47Å; M74-M76 HydrophobicContact CE-CG 3.5Å; M74-M76 VanDerWaalsContact CE-CG 3.5Å; M74-M76 HydrophobicContact CE-SD 3.27Å; M74-M76 WeakPolarHBondContact CE-SD 3.26Å; M76-G78 PolarHBondContact O-N 2.78Å; M76-G78 VanDerWaalsContact O-N 3.16Å; M76-R79 PolarHBondContact N-O 3.23Å; M76-R79 PolarHBondContact O-N 2.96Å; M76-L81 HydrophobicContact CB-CD1 4.02Å; M76-L81 HydrophobicContact CB-CG 4.22Å; M76-L81 HydrophobicContact CG-CD1 3.85Å; M76-L81 HydrophobicContact CG-CG 4.38Å; M76-L81 HydrophobicContact SD-CD1 3.5Å; M76-L81 WeakPolarHBondContact SD-CD1 3.31Å
77F88.8Confident93.7Very high125 Ų12570.8 Ų70.855%0.54836%0.359SS..THydrogen-bonded Turntrans51.937.8177.1-52.1-78.6000113.6P18 L21 I29 R79P18-F77 HydrophobicContact CB-CB 4.34Å; P18-F77 HydrophobicContact CG-CB 4.03Å; P18-F77 HydrophobicContact CG-CD2 3.66Å; P18-F77 HydrophobicContact CG-CE2 4.4Å; P18-F77 HydrophobicContact CG-CG 4.04Å; L21-F77 HydrophobicContact CD1-CD2 4.32Å; L21-F77 HydrophobicContact CD1-CE2 3.97Å; L21-F77 HydrophobicContact CD2-CE2 3.96Å; L21-F77 HydrophobicContact CD2-CZ 4.1Å; L21-F77 HydrophobicContact CG-CE2 4.36Å; I29-F77 HydrophobicContact CD1-CE2 4.34Å; F77-R79 PolarHBondContact O-N 2.92Å
78G90.3Very high93.2Very high85 Ų8574.6 Ų74.688%0.87638%0.379SS*.THydrogen-bonded Turntrans70.713-177.600000115M76M76-G78 PolarHBondContact O-N 2.78Å; M76-G78 VanDerWaalsContact O-N 3.16Å
79R93.1Very high92.6Very high96 Ų9679.5 Ų79.536%0.36241%0.405SS..EExtended strand (participates in β ladder)trans-124.7143.3178-66.4-174.9169.8100.6-1.6110.8Q75 M76 F77Q75-R79 WeakPolarHBondContact CA-O 3.47Å; M76-R79 PolarHBondContact N-O 3.23Å; M76-R79 PolarHBondContact O-N 2.96Å; F77-R79 PolarHBondContact O-N 2.92Å
80T95.2Very high91.8Very high64 Ų6477.2 Ų77.239%0.39340%0.403SS..EExtended strand (participates in β ladder)trans-85.6110.2173.442.40000110.2N16 Q75N16-T80 WeakPolarHBondContact CB-O 3.37Å; N16-T80 PolarHBondContact ND2-O 3.05Å; Q75-T80 HydrophobicContact CG-CG2 3.72Å
81L95.3Very high90.8Very high4 Ų478 Ų782%0.02140%0.403CS..  trans-73145178.2-57.9-171.5000110.6N16 L17 N73 M74 M76N16-L81 VanDerWaalsContact O-CD2 3.26Å; N16-L81 WeakPolarHBondContact O-CD2 3.28Å; L17-L81 HydrophobicContact CD2-CD1 3.98Å; L17-L81 HydrophobicContact CD2-CD2 3.8Å; L17-L81 HydrophobicContact CG-CD2 4.37Å; N73-L81 VanDerWaalsContact CA-O 3.31Å; N73-L81 WeakPolarHBondContact CA-O 3.11Å; N73-L81 PolarHBondContact N-O 3.22Å; M74-L81 PolarHBondContact O-N 3.07Å; M76-L81 HydrophobicContact CB-CD1 4.02Å; M76-L81 HydrophobicContact CB-CG 4.22Å; M76-L81 HydrophobicContact CG-CD1 3.85Å; M76-L81 HydrophobicContact CG-CG 4.38Å; M76-L81 HydrophobicContact SD-CD1 3.5Å; M76-L81 WeakPolarHBondContact SD-CD1 3.31Å
82K95.7Very high89.7Confident118 Ų11878.2 Ų78.251%0.51341%0.405SS..EExtended strand (participates in β ladder)trans-119.1121.2170.9-68.9-176.4-177.6-177.60108.9I14 S15I14-K82 CarbonylContact C-O 3.6Å; I14-K82 WeakPolarHBondContact CA-O 3.5Å; S15-K82 PolarHBondContact N-O 2.82Å; S15-K82 PolarHBondContact O-N 2.92Å; S15-K82 WeakPolarHBondContact OG-CB 3.42Å; S15-K82 PolarHBondContact OG-O 3.21Å
83A96Very high88.6Confident5 Ų577 Ų774%0.04141%0.405CS..EExtended strand (participates in β ladder)trans-122.6139.3-178.900000110.4V12 Y13 I14 L71V12-A83 HydrophobicContact CG1-CB 4.46Å; Y13-A83 CarbonylContact O-C 3.59Å; Y13-A83 VanDerWaalsContact O-CA 3.32Å; Y13-A83 WeakPolarHBondContact O-CA 3.37Å; I14-A83 HydrophobicContact CG1-CB 4.42Å; L71-A83 HydrophobicContact CB-CB 3.62Å
84S95.5Very high87.3Confident54 Ų5476.2 Ų76.238%0.37840%0.398SS..EExtended strand (participates in β ladder)trans-154.6163.6178.460.10000110.6Y13 A86Y13-S84 PolarHBondContact N-O 2.93Å; Y13-S84 PolarHBondContact O-N 3.35Å; S84-A86 PolarHBondContact O-N 2.83Å
85I95.2Very high86Confident55 Ų5578.2 Ų78.228%0.28241%0.405SS..EExtended strand (participates in β ladder)trans-65.4129.2170.4-60.6-59.1000109.1A64 F65 A68 R87A64-I85 HydrophobicContact CB-CD1 4.23Å; F65-I85 HydrophobicContact CD2-CG1 4.36Å; A68-I85 HydrophobicContact CB-CD1 4.29Å; I85-R87 PolarHBondContact O-N 3.34Å
86A93.3Very high84.8Confident9 Ų976.2 Ų76.27%0.07440%0.399CS..PPolyproline II helixtrans-62.5125.7-17700000110.4P7 T11 F55 S84P7-A86 HydrophobicContact CB-CB 3.8Å; P7-A86 HydrophobicContact CG-CB 4.46Å; T11-A86 HydrophobicContact CG2-CB 3.72Å; T11-A86 VanDerWaalsContact O-CB 3.31Å; T11-A86 WeakPolarHBondContact O-CB 3.47Å; T11-A86 PolarHBondContact O-N 3.37Å; F55-A86 HydrophobicContact CD1-CB 4.1Å; F55-A86 HydrophobicContact CE1-CB 4.26Å; S84-A86 PolarHBondContact O-N 2.83Å
87R90.5Very high83.8Confident226 Ų22684 Ų8485%0.85343%0.426SS*.PPolyproline II helixtrans-88.9137.2174.1-61.3-174.1-179.9-168.4-0.3109.2I85 N89I85-R87 PolarHBondContact O-N 3.34Å; R87-N89 PolarHBondContact O-N 3.48Å
88D85Confident82.5Confident79 Ų7983 Ų8342%0.42242%0.418SS..PPolyproline II helixtrans-67.9130.7168.4-1711.7000108.7P7 G90P7-D88 HydrophobicContact CG-CB 4.1Å; D88-G90 PolarHBondContact O-N 2.86Å; D88-G90 PolarHBondContact OD1-N 3.2Å
89N83Confident80.9Confident106 Ų10689.5 Ų89.557%0.56742%0.417SS*.  trans-87.28.2176.762.112.8000112.1R87 R91R87-N89 PolarHBondContact O-N 3.48Å; N89-R91 PolarHBondContact ND2-NH1 3.1Å; N89-R91 PolarHBondContact O-N 3.49Å; N89-R91 WeakPolarHBondContact OD1-CB 2.95Å; N89-R91 PolarHBondContact OD1-N 3.09Å; N89-R91 VanDerWaalsContact OD1-N 3.15Å
90G78.4Confident79.2Confident44 Ų4491 Ų9145%0.45443%0.428SS..SBendtrans72.5-13.9179.900000113.8D88 A92 A93D88-G90 PolarHBondContact O-N 2.86Å; D88-G90 PolarHBondContact OD1-N 3.2Å; G90-A92 VanDerWaalsContact C-N 3.25Å; G90-A92 PolarHBondContact O-N 2.98Å; G90-A93 PolarHBondContact O-N 3.42Å
91R74.1Confident77.6Confident137 Ų13794.1 Ų94.152%0.51743%0.433SS..Hα-helixtrans-69.6-25.2-179.2-59.5-171.4177.999.4-1.1111.7N89 A93 E94 F95N89-R91 PolarHBondContact ND2-NH1 3.1Å; N89-R91 PolarHBondContact O-N 3.49Å; N89-R91 WeakPolarHBondContact OD1-CB 2.95Å; N89-R91 PolarHBondContact OD1-N 3.09Å; N89-R91 VanDerWaalsContact OD1-N 3.15Å; R91-A93 VanDerWaalsContact C-N 3.29Å; R91-A93 PolarHBondContact O-N 3.01Å; R91-E94 CarbonylContact O-C 3.5Å; R91-E94 WeakPolarHBondContact O-CB 3.44Å; R91-E94 PolarHBondContact O-N 2.93Å; R91-E94 VanDerWaalsContact O-N 3.07Å; R91-F95 HydrophobicContact CB-CD2 3.88Å; R91-F95 HydrophobicContact CB-CE2 3.67Å; R91-F95 WeakPolarHBondContact O-CD2 3.37Å; R91-F95 PolarHBondContact O-N 3.49Å
92A72.4Confident76.2Confident8 Ų898.5 Ų98.57%0.06646%0.462CS..Hα-helixtrans-56.9-44178.100000111.5L5 A6 G90 F95 I96L5-A92 HydrophobicContact CB-CB 4.44Å; A6-A92 HydrophobicContact CB-CB 4.08Å; G90-A92 VanDerWaalsContact C-N 3.25Å; G90-A92 PolarHBondContact O-N 2.98Å; A92-F95 PolarHBondContact O-N 2.81Å; A92-I96 WeakPolarHBondContact O-CD1 3.27Å; A92-I96 WeakPolarHBondContact O-CG1 3.17Å; A92-I96 PolarHBondContact O-N 3.01Å
93A70.6Confident74.5Confident46 Ų4698.9 Ų98.938%0.3847%0.47SS..Hα-helixtrans-65.2-39.6175.500000111.9G90 R91 I96 R97G90-A93 PolarHBondContact O-N 3.42Å; R91-A93 VanDerWaalsContact C-N 3.29Å; R91-A93 PolarHBondContact O-N 3.01Å; A93-I96 PolarHBondContact O-N 3.46Å; A93-R97 WeakPolarHBondContact O-CB 3.32Å; A93-R97 VanDerWaalsContact O-CG 3.25Å; A93-R97 WeakPolarHBondContact O-CG 3.31Å; A93-R97 PolarHBondContact O-N 3.13Å
94E66.4Low72.9Confident88 Ų88102.2 Ų102.241%0.41148%0.483SS..Hα-helixtrans-64.9-44.9177.2-161.5-171.7176.600112R91 I96 R97 R98R91-E94 CarbonylContact O-C 3.5Å; R91-E94 WeakPolarHBondContact O-CB 3.44Å; R91-E94 PolarHBondContact O-N 2.93Å; R91-E94 VanDerWaalsContact O-N 3.07Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 3.38Å; E94-R97 PolarHBondContact O-N 3.13Å; E94-R98 VanDerWaalsContact CD-NH2 3.33Å; E94-R98 WeakPolarHBondContact O-CB 3.42Å; E94-R98 WeakPolarHBondContact O-CG 3.12Å; E94-R98 PolarHBondContact O-N 3.5Å; E94-R98 IonicContact OE1-CZ 3.42Å; E94-R98 IonicContact OE1-NE 2.64Å; E94-R98 PolarHBondContact OE1-NE 3.17Å; E94-R98 IonicContact OE1-NH2 2.89Å; E94-R98 PolarHBondContact OE1-NH2 2.95Å; E94-R98 IonicContact OE2-NH2 3.33Å
95F65.2Low71.6Confident98 Ų98102.4 Ų102.443%0.4348%0.484SS..Hα-helixtrans-61.8-36.8174.7-76.5-67.4000112.2R91 A92R91-F95 HydrophobicContact CB-CD2 3.88Å; R91-F95 HydrophobicContact CB-CE2 3.67Å; R91-F95 WeakPolarHBondContact O-CD2 3.37Å; R91-F95 PolarHBondContact O-N 3.49Å; A92-F95 PolarHBondContact O-N 2.81Å
96I68Low70.6Confident117 Ų117106 Ų10660%0.650%0.495SS*.Hα-helixtrans-72.5-36.2176.2-65.3163.6000111.3A92 A93 E94A92-I96 WeakPolarHBondContact O-CD1 3.27Å; A92-I96 WeakPolarHBondContact O-CG1 3.17Å; A92-I96 PolarHBondContact O-N 3.01Å; A93-I96 PolarHBondContact O-N 3.46Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 3.38Å
97R67.2Low69.9Low201 Ų201105.6 Ų105.676%0.75849%0.491SS*.Hα-helixtrans-79.4-26-179.7-74.4178.9-173.6172.92.5113.4A93 E94 R99A93-R97 WeakPolarHBondContact O-CB 3.32Å; A93-R97 VanDerWaalsContact O-CG 3.25Å; A93-R97 WeakPolarHBondContact O-CG 3.31Å; A93-R97 PolarHBondContact O-N 3.13Å; E94-R97 PolarHBondContact O-N 3.13Å; R97-R99 VanDerWaalsContact C-N 3.26Å; R97-R99 PolarHBondContact O-N 3.19Å
98R61.3Low69.2Low103 Ų103103.6 Ų103.639%0.38949%0.485SS..  trans-64.789.2172.2-80.2-178.5-170.5168.2-0.4109.1E94E94-R98 VanDerWaalsContact CD-NH2 3.33Å; E94-R98 WeakPolarHBondContact O-CB 3.42Å; E94-R98 WeakPolarHBondContact O-CG 3.12Å; E94-R98 PolarHBondContact O-N 3.5Å; E94-R98 IonicContact OE1-CZ 3.42Å; E94-R98 IonicContact OE1-NE 2.64Å; E94-R98 PolarHBondContact OE1-NE 3.17Å; E94-R98 IonicContact OE1-NH2 2.89Å; E94-R98 PolarHBondContact OE1-NH2 2.95Å; E94-R98 IonicContact OE2-NH2 3.33Å
99R57.1Low68.8Low222 Ų222103.2 Ų103.284%0.83848%0.481SS*.  trans-67-31.8165.2-58.2-176.3-151.3162.56.5110R97 K104R97-R99 VanDerWaalsContact C-N 3.26Å; R97-R99 PolarHBondContact O-N 3.19Å; R99-K104 PolarHBondContact O-NZ 2.89Å
100E57.2Low68.7Low128 Ų128100 Ų10060%0.59847%0.465SS*.  trans-97.1114179.3-15055.3-111.500110
101Y62.1Low68.9Low129 Ų12999.7 Ų99.751%0.50646%0.462SS..  trans-92.1117.7167.8-70.2-95000104.9N103 K104Y101-N103 PolarHBondContact O-N 3.12Å; Y101-K104 PolarHBondContact O-N 3.46Å
102P65.7Low69.1Low96 Ų9695.5 Ų95.562%0.62345%0.454SS*.G310 helixtrans-59.1-11.1-168.621.1-32.8000114.4S105P102-S105 PolarHBondContact O-OG 2.98Å
103N60.6Low69.5Low126 Ų126101.3 Ų101.367%0.67448%0.478SS*.G310 helixtrans-93.57.7179.7-59.9-18.3000114.5Y101 S105Y101-N103 PolarHBondContact O-N 3.12Å; N103-S105 PolarHBondContact O-N 2.9Å
104K61.2Low69.9Low75 Ų75102.9 Ų102.933%0.32650%0.499SS..G310 helixtrans-76.9-4.6171.5-73.9173.4-178.8-178.80113.5R99 Y101 R106 L116R99-K104 PolarHBondContact O-NZ 2.89Å; Y101-K104 PolarHBondContact O-N 3.46Å; K104-R106 VanDerWaalsContact C-N 3.27Å; K104-R106 PolarHBondContact O-N 2.82Å; K104-L116 HydrophobicContact CB-CD2 4.1Å; K104-L116 WeakPolarHBondContact O-CD2 3.33Å
105S68.3Low70.5Confident58 Ų58100.9 Ų100.941%0.40649%0.489SS..G310 helixtrans-75.5-14.9-18058.70000113.7P102 N103 F113 G114P102-S105 PolarHBondContact O-OG 2.98Å; N103-S105 PolarHBondContact O-N 2.9Å; S105-F113 VanDerWaalsContact O-CA 3.27Å; S105-F113 WeakPolarHBondContact O-CA 3.27Å; S105-G114 PolarHBondContact O-N 3.09Å
106R75.5Confident71Confident131 Ų13199 Ų9949%0.49448%0.483SS..BIsolated β-bridgetrans-97.4127.4175.8-172.6176-84.6156.2-5109.9K104 Y108 G111 S112 F113K104-R106 VanDerWaalsContact C-N 3.27Å; K104-R106 PolarHBondContact O-N 2.82Å; R106-Y108 PolarHBondContact O-N 2.84Å; R106-G111 VanDerWaalsContact CD-O 3.31Å; R106-G111 WeakPolarHBondContact CD-O 3.49Å; R106-G111 VanDerWaalsContact CG-O 3.23Å; R106-G111 WeakPolarHBondContact CG-O 3.31Å; R106-G111 PolarHBondContact NE-O 3.18Å; R106-G111 VanDerWaalsContact NE-O 3.09Å; R106-S112 WeakPolarHBondContact CA-O 3.5Å; R106-F113 HydrophobicContact CB-CD1 4.2Å; R106-F113 HydrophobicContact CB-CE1 4.07Å; R106-F113 VanDerWaalsContact NH2-CZ 3.27Å
107C77.6Confident71.4Confident0 Ų094.6 Ų94.60%046%0.463CS..  trans-63.7127.6168.8175.80000110.2E109 C110 G111 S112 H115 C120C107-E109 PolarHBondContact O-N 3.3Å; C107-E109 PolarHBondContact SG-N 2.77Å; C107-C110 WeakPolarHBondContact CB-SG 3.14Å; C107-C110 PolarHBondContact SG-N 3.29Å; C107-C110 VanDerWaalsContact SG-N 3.41Å; C107-C110 PolarHBondContact SG-SG 3.03Å; C107-G111 WeakPolarHBondContact O-CA 3.31Å; C107-G111 PolarHBondContact O-N 2.78Å; C107-S112 PolarHBondContact N-O 3.36Å; C107-H115 WeakPolarHBondContact CB-NE2 3.38Å; C107-H115 PolarHBondContact N-O 3.44Å; C107-H115 PolarHBondContact SG-NE2 2.91Å; C107-C120 WeakPolarHBondContact SG-CB 3.37Å; C107-C120 PolarHBondContact SG-SG 2.8Å
108Y76.6Confident71.7Confident183 Ų18388 Ų8872%0.71844%0.439SS*.THydrogen-bonded Turntrans-74.4-11.6178.4-66.4-86.8000113.4R106 S117R106-Y108 PolarHBondContact O-N 2.84Å; Y108-S117 VanDerWaalsContact CB-OG 3.3Å; Y108-S117 WeakPolarHBondContact CB-OG 3.45Å; Y108-S117 PolarHBondContact N-OG 2.85Å
109E75.6Confident72.4Confident72 Ų7289.5 Ų89.534%0.33645%0.448SS..THydrogen-bonded Turntrans-94.1-49.2178.1-69.6168.3-171.800111.9C107 C120 N123C107-E109 PolarHBondContact O-N 3.3Å; C107-E109 PolarHBondContact SG-N 2.77Å; E109-C120 HydrophobicContact CB-CB 4.47Å; E109-C120 VanDerWaalsContact OE2-CB 3.31Å; E109-C120 WeakPolarHBondContact OE2-CB 3.33Å; E109-N123 PolarHBondContact OE1-ND2 2.95Å; E109-N123 PolarHBondContact OE1-OD1 3.45Å; E109-N123 WeakPolarHBondContact OE2-CA 3.31Å; E109-N123 WeakPolarHBondContact OE2-CB 3.23Å; E109-N123 PolarHBondContact OE2-ND2 3.27Å; E109-N123 PolarHBondContact OE2-OD1 3.32Å
110C82.6Confident73.5Confident37 Ų3779.5 Ų79.525%0.2541%0.412CS..THydrogen-bonded Turntrans-103.1-8.5-177.471.30000114.8C107 S112 H115 C120 K122C107-C110 WeakPolarHBondContact CB-SG 3.14Å; C107-C110 PolarHBondContact SG-N 3.29Å; C107-C110 VanDerWaalsContact SG-N 3.41Å; C107-C110 PolarHBondContact SG-SG 3.03Å; C110-S112 PolarHBondContact O-N 3.15Å; C110-S112 VanDerWaalsContact O-N 3.08Å; C110-S112 PolarHBondContact SG-OG 3.47Å; C110-H115 PolarHBondContact SG-CE1 3.28Å; C110-H115 PolarHBondContact SG-NE2 3.37Å; C110-C120 VanDerWaalsContact SG-SG 3.69Å; C110-K122 HydrophobicContact CB-CB 4.11Å; C110-K122 HydrophobicContact CB-CD 3.84Å; C110-K122 HydrophobicContact CB-CG 4.16Å
111G81.5Confident74.6Confident38 Ų3882.7 Ų82.739%0.39243%0.427SS..  trans70.4-1.1-179.200000115.4R106 C107R106-G111 VanDerWaalsContact CD-O 3.31Å; R106-G111 WeakPolarHBondContact CD-O 3.49Å; R106-G111 VanDerWaalsContact CG-O 3.23Å; R106-G111 WeakPolarHBondContact CG-O 3.31Å; R106-G111 PolarHBondContact NE-O 3.18Å; R106-G111 VanDerWaalsContact NE-O 3.09Å; C107-G111 WeakPolarHBondContact O-CA 3.31Å; C107-G111 PolarHBondContact O-N 2.78Å
112S79.4Confident75.4Confident49 Ų4984.4 Ų84.434%0.34344%0.437SS..  trans-78.9155.5177.373.50000111.7R106 C107 C110 H115R106-S112 WeakPolarHBondContact CA-O 3.5Å; C107-S112 PolarHBondContact N-O 3.36Å; C110-S112 PolarHBondContact O-N 3.15Å; C110-S112 VanDerWaalsContact O-N 3.08Å; C110-S112 PolarHBondContact SG-OG 3.47Å; S112-H115 PolarHBondContact OG-CE1 3.39Å
113F79.5Confident75.7Confident131 Ų13180.7 Ų80.758%0.57541%0.412SS*.BIsolated β-bridgetrans-88.1152.8172.8-65.6-81.8000110.4S105 R106S105-F113 VanDerWaalsContact O-CA 3.27Å; S105-F113 WeakPolarHBondContact O-CA 3.27Å; R106-F113 HydrophobicContact CB-CD1 4.2Å; R106-F113 HydrophobicContact CB-CE1 4.07Å; R106-F113 VanDerWaalsContact NH2-CZ 3.27Å
114G79.8Confident76.5Confident78 Ų7880.1 Ų80.180%0.80442%0.418SS*.SBendtrans110.8-12.217100000115.3S105S105-G114 PolarHBondContact O-N 3.09Å
115H78.9Confident76.9Confident46 Ų4681.8 Ų81.821%0.21343%0.43CS..SBendtrans-142.7158.4171.564.7-90.9000112.1C107 C110 S112 K119 C120C107-H115 WeakPolarHBondContact CB-NE2 3.38Å; C107-H115 PolarHBondContact N-O 3.44Å; C107-H115 PolarHBondContact SG-NE2 2.91Å; C110-H115 PolarHBondContact SG-CE1 3.28Å; C110-H115 PolarHBondContact SG-NE2 3.37Å; S112-H115 PolarHBondContact OG-CE1 3.39Å; H115-K119 HydrophobicContact CB-CB 4.34Å; H115-C120 WeakPolarHBondContact CD2-CA 3.31Å; H115-C120 WeakPolarHBondContact NE2-CA 3.25Å; H115-C120 WeakPolarHBondContact NE2-CB 3.22Å; H115-C120 PolarHBondContact NE2-SG 3.37Å; H115-C120 VanDerWaalsContact NE2-SG 3.38Å
116L75.1Confident76.9Confident59 Ų5980.9 Ų80.931%0.30943%0.429SS..  trans-89.2154.5171.2-76.7142.6000109.5K104 Y118 K119 C120K104-L116 HydrophobicContact CB-CD2 4.1Å; K104-L116 WeakPolarHBondContact O-CD2 3.33Å; L116-Y118 HydrophobicContact CB-CD1 3.54Å; L116-Y118 HydrophobicContact CB-CE1 3.09Å; L116-Y118 HydrophobicContact CB-CE2 4.16Å; L116-Y118 HydrophobicContact CB-CG 4.27Å; L116-Y118 VanDerWaalsContact CB-CZ 3.44Å; L116-Y118 HydrophobicContact CD1-CE1 3.51Å; L116-Y118 VanDerWaalsContact CD1-CZ 3.47Å; L116-Y118 WeakPolarHBondContact CD1-OH 3.41Å; L116-Y118 HydrophobicContact CD2-CE1 4.07Å; L116-Y118 HydrophobicContact CG-CE1 3.7Å; L116-Y118 PolarHBondContact O-N 2.85Å; L116-K119 CarbonylContact O-C 3.58Å; L116-K119 WeakPolarHBondContact O-CA 3.46Å; L116-K119 PolarHBondContact O-N 2.84Å; L116-C120 PolarHBondContact O-N 3.38Å
117S76.6Confident76.6Confident25 Ų2583.6 Ų83.618%0.17545%0.448CS..G310 helixtrans-52.3-32.2-174.9-500000114.6Y108 K119 C120 N123Y108-S117 VanDerWaalsContact CB-OG 3.3Å; Y108-S117 WeakPolarHBondContact CB-OG 3.45Å; Y108-S117 PolarHBondContact N-OG 2.85Å; S117-K119 PolarHBondContact O-N 3.06Å; S117-C120 VanDerWaalsContact O-CB 3.25Å; S117-C120 WeakPolarHBondContact O-CB 3.47Å; S117-C120 PolarHBondContact O-N 2.85Å; S117-N123 PolarHBondContact O-ND2 2.87Å; S117-N123 VanDerWaalsContact O-ND2 3.1Å
118Y74.2Confident76.2Confident62 Ų6289.6 Ų89.624%0.24347%0.47CS..G310 helixtrans-67.9-17.9177.861-104.4000114.1L116 Q130L116-Y118 HydrophobicContact CB-CD1 3.54Å; L116-Y118 HydrophobicContact CB-CE1 3.09Å; L116-Y118 HydrophobicContact CB-CE2 4.16Å; L116-Y118 HydrophobicContact CB-CG 4.27Å; L116-Y118 VanDerWaalsContact CB-CZ 3.44Å; L116-Y118 HydrophobicContact CD1-CE1 3.51Å; L116-Y118 VanDerWaalsContact CD1-CZ 3.47Å; L116-Y118 WeakPolarHBondContact CD1-OH 3.41Å; L116-Y118 HydrophobicContact CD2-CE1 4.07Å; L116-Y118 HydrophobicContact CG-CE1 3.7Å; L116-Y118 PolarHBondContact O-N 2.85Å; Y118-Q130 HydrophobicContact CD1-CG 3.89Å; Y118-Q130 HydrophobicContact CD2-CG 3.65Å; Y118-Q130 HydrophobicContact CE1-CG 3.8Å; Y118-Q130 VanDerWaalsContact CE2-CD 3.48Å; Y118-Q130 HydrophobicContact CE2-CG 3.65Å; Y118-Q130 HydrophobicContact CG-CG 3.8Å; Y118-Q130 PolarHBondContact OH-NE2 3.36Å; Y118-Q130 VanDerWaalsContact OH-NE2 3.15Å
119K75Confident75.8Confident135 Ų13590 Ų9059%0.58748%0.479SS*.G310 helixtrans-111.216.6176.2-87.1177.9-178.1-163.80112H115 L116 S117 E121H115-K119 HydrophobicContact CB-CB 4.34Å; L116-K119 CarbonylContact O-C 3.58Å; L116-K119 WeakPolarHBondContact O-CA 3.46Å; L116-K119 PolarHBondContact O-N 2.84Å; S117-K119 PolarHBondContact O-N 3.06Å; K119-E121 PolarHBondContact O-N 3.46Å
120C79.6Confident75.5Confident11 Ų1191.3 Ų91.37%0.07449%0.485CS..  trans-75.8123.7-177.9-177.80000111C107 E109 C110 H115 L116 S117 K122 N123C107-C120 WeakPolarHBondContact SG-CB 3.37Å; C107-C120 PolarHBondContact SG-SG 2.8Å; E109-C120 HydrophobicContact CB-CB 4.47Å; E109-C120 VanDerWaalsContact OE2-CB 3.31Å; E109-C120 WeakPolarHBondContact OE2-CB 3.33Å; C110-C120 VanDerWaalsContact SG-SG 3.69Å; H115-C120 WeakPolarHBondContact CD2-CA 3.31Å; H115-C120 WeakPolarHBondContact NE2-CA 3.25Å; H115-C120 WeakPolarHBondContact NE2-CB 3.22Å; H115-C120 PolarHBondContact NE2-SG 3.37Å; H115-C120 VanDerWaalsContact NE2-SG 3.38Å; L116-C120 PolarHBondContact O-N 3.38Å; S117-C120 VanDerWaalsContact O-CB 3.25Å; S117-C120 WeakPolarHBondContact O-CB 3.47Å; S117-C120 PolarHBondContact O-N 2.85Å; C120-K122 PolarHBondContact O-N 3.11Å; C120-K122 PolarHBondContact SG-N 3.14Å; C120-N123 HydrophobicContact CB-CB 4.14Å; C120-N123 WeakPolarHBondContact O-CB 3.22Å; C120-N123 PolarHBondContact O-N 3.48Å
121E81.9Confident75.1Confident196 Ų19695.2 Ų95.292%0.91651%0.51SS*.THydrogen-bonded Turntrans-63-22.5173-64174.2-176.700112.4K119K119-E121 PolarHBondContact O-N 3.46Å
122K78.6Confident74.9Confident165 Ų165100 Ų10072%0.71753%0.531SS*.THydrogen-bonded Turntrans-93.412174.2-54.4-166-177.2-175.80113.2C110 C120 S124C110-K122 HydrophobicContact CB-CB 4.11Å; C110-K122 HydrophobicContact CB-CD 3.84Å; C110-K122 HydrophobicContact CB-CG 4.16Å; C120-K122 PolarHBondContact O-N 3.11Å; C120-K122 PolarHBondContact SG-N 3.14Å; K122-S124 PolarHBondContact O-N 3.48Å; K122-S124 VanDerWaalsContact O-N 3.08Å
123N71.9Confident74.3Confident17 Ų17106.6 Ų106.69%0.09155%0.554CS.*  trans-67.3108176.8-160.1-27.9000110.1E109 S117 C120 L125 G126E109-N123 PolarHBondContact OE1-ND2 2.95Å; E109-N123 PolarHBondContact OE1-OD1 3.45Å; E109-N123 WeakPolarHBondContact OE2-CA 3.31Å; E109-N123 WeakPolarHBondContact OE2-CB 3.23Å; E109-N123 PolarHBondContact OE2-ND2 3.27Å; E109-N123 PolarHBondContact OE2-OD1 3.32Å; S117-N123 PolarHBondContact O-ND2 2.87Å; S117-N123 VanDerWaalsContact O-ND2 3.1Å; C120-N123 HydrophobicContact CB-CB 4.14Å; C120-N123 WeakPolarHBondContact O-CB 3.22Å; C120-N123 PolarHBondContact O-N 3.48Å; N123-L125 PolarHBondContact O-N 3.06Å; N123-L125 VanDerWaalsContact O-N 3.15Å; N123-L125 WeakPolarHBondContact OD1-CA 3.3Å; N123-L125 WeakPolarHBondContact OD1-CB 3.27Å; N123-L125 PolarHBondContact OD1-N 2.9Å; N123-G126 VanDerWaalsContact CG-O 3.28Å; N123-G126 PolarHBondContact ND2-O 3.05Å; N123-G126 PolarHBondContact O-N 3.46Å
124S76.2Confident73.8Confident115 Ų115110 Ų11080%0.80457%0.568SS**THydrogen-bonded Turntrans-63.3-16.717553.90000113.1K122K122-S124 PolarHBondContact O-N 3.48Å; K122-S124 VanDerWaalsContact O-N 3.08Å
125L71.5Confident73.3Confident110 Ų110117.4 Ų117.458%0.57657%0.572SS**THydrogen-bonded Turntrans-103.412.5-178.3-65.8135.6000112.7N123 R128N123-L125 PolarHBondContact O-N 3.06Å; N123-L125 VanDerWaalsContact O-N 3.15Å; N123-L125 WeakPolarHBondContact OD1-CA 3.3Å; N123-L125 WeakPolarHBondContact OD1-CB 3.27Å; N123-L125 PolarHBondContact OD1-N 2.9Å; L125-R128 VanDerWaalsContact CB-NH2 3.29Å
126G67.8Low72.7Confident39 Ų39124.8 Ų124.840%0.40260%0.603SS.*  trans71-174.3178.800000113.9N123 R128N123-G126 VanDerWaalsContact CG-O 3.28Å; N123-G126 PolarHBondContact ND2-O 3.05Å; N123-G126 PolarHBondContact O-N 3.46Å; G126-R128 PolarHBondContact O-N 3.16Å
127E68.6Low72.4Confident188 Ų188128.5 Ų128.588%0.87963%0.628SS**  trans-67.8122.9174.1-65.4-172173.300110
128R68.8Low71.7Confident125 Ų125138.4 Ų138.447%0.47266%0.662SS.*  trans-104.6131.4176.6-69.2169.1171-170.1-17.4109.1L125 G126 Q130L125-R128 VanDerWaalsContact CB-NH2 3.29Å; G126-R128 PolarHBondContact O-N 3.16Å; R128-Q130 PolarHBondContact O-N 3.32Å
129E68.1Low71.1Confident191 Ų191144.9 Ų144.989%0.89369%0.691SS**PPolyproline II helixtrans-58.1134.9171.8-70.7-169.2163.600110.5
130Q71.1Confident70.2Confident100 Ų100148.2 Ų148.247%0.46771%0.706SS.*PPolyproline II helixtrans-64.3136.3175.2-71.1175.643.300109.2Y118 R128 V132Y118-Q130 HydrophobicContact CD1-CG 3.89Å; Y118-Q130 HydrophobicContact CD2-CG 3.65Å; Y118-Q130 HydrophobicContact CE1-CG 3.8Å; Y118-Q130 VanDerWaalsContact CE2-CD 3.48Å; Y118-Q130 HydrophobicContact CE2-CG 3.65Å; Y118-Q130 HydrophobicContact CG-CG 3.8Å; Y118-Q130 PolarHBondContact OH-NE2 3.36Å; Y118-Q130 VanDerWaalsContact OH-NE2 3.15Å; R128-Q130 PolarHBondContact O-N 3.32Å; Q130-V132 PolarHBondContact O-N 2.95Å; Q130-V132 VanDerWaalsContact O-N 3.09Å
131P72.8Confident69.3Low120 Ų120155.7 Ų155.778%0.77974%0.744SS**PPolyproline II helixtrans-58.2122.6174.522.7-31.7000109.6K133P131-K133 PolarHBondContact O-N 3.49Å; P131-K133 VanDerWaalsContact O-N 3.17Å
132V76.8Confident67.6Low138 Ų138152.5 Ų152.584%0.83673%0.733SS**PPolyproline II helixtrans-57.2122.8-179.1-142.40000108.8Q130 K134Q130-V132 PolarHBondContact O-N 2.95Å; Q130-V132 VanDerWaalsContact O-N 3.09Å; V132-K134 PolarHBondContact O-N 3.04Å
133K68.7Low66.1Low187 Ų187149.4 Ų149.481%0.81373%0.733SS**  trans-63.4109176.5-70178.5-174.7168.20108P131 R135P131-K133 PolarHBondContact O-N 3.49Å; P131-K133 VanDerWaalsContact O-N 3.17Å; K133-R135 PolarHBondContact O-N 3.2Å
134K69Low64.9Low202 Ų202156.8 Ų156.888%0.87877%0.766SS**  trans-55.2109.6172.4-67.3-174.4179.6-178.20108.9V132 K136V132-K134 PolarHBondContact O-N 3.04Å; K134-K136 PolarHBondContact O-N 3.3Å
135R68.4Low63.4Low234 Ų234156 Ų15688%0.88376%0.76SS**  trans-62.7119.1170.6-71.7177.970.4-177.71.8107.3K133 V137K133-R135 PolarHBondContact O-N 3.2Å; R135-V137 PolarHBondContact O-N 3.38Å
136K66.8Low62.1Low202 Ų202155.7 Ų155.788%0.87877%0.768SS**  trans-72.297.7170.9-68.6-176.2-178.7178.90107.8K134 R138K134-K136 PolarHBondContact O-N 3.3Å; K136-R138 PolarHBondContact O-N 3.47Å
137V68Low61.2Low137 Ų137160.4 Ų160.483%0.8379%0.789SS**  trans-67.5114.1164.9-177.10000106.8R135 K139R135-V137 PolarHBondContact O-N 3.38Å; V137-K139 PolarHBondContact O-N 3.25Å
138R62.7Low60Low233 Ų233157 Ų15788%0.87979%0.785SS**  trans-70113171.9-83.9178.4149.1154.6-7.3107.8K136 K140K136-R138 PolarHBondContact O-N 3.47Å; R138-K140 PolarHBondContact O-N 3.19Å; R138-K140 VanDerWaalsContact O-N 3.13Å
139K61.9Low59Low197 Ų197156.8 Ų156.886%0.85779%0.794SS**  trans-66.2109.6166.7-142.2171.5-172.71750107.1V137 L141V137-K139 PolarHBondContact O-N 3.25Å; K139-L141 PolarHBondContact O-N 3.43Å; K139-L141 VanDerWaalsContact O-N 3.12Å
140K56.2Low57.7Low205 Ų205153.5 Ų153.589%0.89179%0.789SS**  trans-61.8111.8166.7-84.7-178.1176.8177.50106.4R138 N142R138-K140 PolarHBondContact O-N 3.19Å; R138-K140 VanDerWaalsContact O-N 3.13Å; K140-N142 PolarHBondContact O-N 3.26Å
141L59.3Low56.6Low168 Ų168158.9 Ų158.988%0.8881%0.805SS**  trans-71.3113.2167-89.9130.2000106.8K139 S143K139-L141 PolarHBondContact O-N 3.43Å; K139-L141 VanDerWaalsContact O-N 3.12Å; L141-S143 PolarHBondContact O-N 2.82Å; L141-S143 VanDerWaalsContact O-N 3.14Å
142N46.3Very low55.4Low129 Ų129161 Ų16169%0.6981%0.81SS**  trans-69.8103.7170.2-150.234.1000107.4K140 H144K140-N142 PolarHBondContact O-N 3.26Å; N142-H144 PolarHBondContact ND2-NE2 3.34Å; N142-H144 PolarHBondContact O-N 3Å; N142-H144 VanDerWaalsContact O-N 3.09Å
143S46.5Very low53.9Low101 Ų101165.8 Ų165.871%0.70681%0.813SS**  trans-7592.5171.452.30000108.4L141 S145L141-S143 PolarHBondContact O-N 2.82Å; L141-S143 VanDerWaalsContact O-N 3.14Å; S143-S145 PolarHBondContact O-N 3.1Å
144H48.2Very low52.9Low171 Ų171166 Ų16679%0.79281%0.814SS**  trans-73.983.3159.7-75.6-78.7000108.1N142N142-H144 PolarHBondContact ND2-NE2 3.34Å; N142-H144 PolarHBondContact O-N 3Å; N142-H144 VanDerWaalsContact O-N 3.09Å
145S44.4Very low51.6Low98 Ų98162.9 Ų162.969%0.68581%0.812SS**  trans-99.6105.7159.356.20000107.9S143 T147S143-S145 PolarHBondContact O-N 3.1Å; S145-T147 PolarHBondContact O-N 2.92Å
146S44.2Very low50.7Low104 Ų104159.9 Ų159.973%0.72781%0.808SS**  trans-35.6126.2154.748.50000112
147T48.7Very low49.7Very low138 Ų138159.2 Ų159.285%0.84781%0.81SS**  166.9133.2123.636.70000109.2S145S145-T147 PolarHBondContact O-N 2.92Å
148S42.3Very low48.3Very low116 Ų116159.1 Ų159.181%0.81181%0.805SS**  trans-74.7124.8-176.346.20000112.6
149D49.5Very low47.7Very low122 Ų122156.9 Ų156.965%0.65280%0.804SS**  trans-162.5115.2146.5-149.2-36.7000110.9R151D149-R151 IonicContact OD1-NE 4Å
150P40.4Very low46.8Very low122 Ų122154 Ų15479%0.79280%0.798SS**  trans-102.667.3-177.338.1-30.1000111.5
151R47.6Very low46.2Very low212 Ų212152.1 Ų152.180%0.880%0.798SS**  trans-150.878.3171.2-70.4-175.6-68.7-177.90.6113D149D149-R151 IonicContact OD1-NE 4Å
152N48Very low45.5Very low165 Ų165148.3 Ų148.388%0.88279%0.785SS**  trans-154.9108.7145-146.6-19.8000112.2
153R44.4Very low45.5Very low238 Ų238149.1 Ų149.190%0.89879%0.789SS**  trans-97.9143.3173.6-128.7178.4-176.5-172.50.3106.2
154K48.1Very low45.5Very low193 Ų193151.8 Ų151.884%0.83980%0.796SS**  trans96102.5152.9-149.1170.2-169.3174.70115.9
155T41.7Very low45.3Very low135 Ų135152.6 Ų152.683%0.82880%0.8SS**  -172.1117.7109.426.60000110.8
156Q48.7Very low45.1Very low171 Ų171155.3 Ų155.380%0.79981%0.807SS**  trans-54.4139.1156.1-95.3163.3-53.300110.6
157M46.2Very low45.1Very low189 Ų189155.1 Ų155.193%0.93181%0.806SS**  trans-150.8124.6137.9-71.8-161.5171.500108.7
158D40Very low45.1Very low134 Ų134157.3 Ų157.372%0.71781%0.806SS**  trans-68.3147.4-178.3-51.9-74.1000112.5
159H48.7Very low45.2Very low187 Ų187159.2 Ų159.287%0.86681%0.807SS**  trans-155.1104.8140.8-126.5-54.3000110.6
160D43.6Very low45.1Very low137 Ų137160.8 Ų160.873%0.73382%0.816SS**  trans-57.2139.3163.7-110.9-49.5000111.4
161N43.9Very low45.5Very low165 Ų165164 Ų16488%0.88282%0.82SS**  trans-155.3105.3141.5-104.8-32000109.3
162S44.5Very low45.1Very low88 Ų88162.3 Ų162.362%0.61583%0.825SS**  trans-69.2172.3173.4-177.60000112.2
163D45.8Very low45.1Very low145 Ų145160.3 Ų160.378%0.77582%0.815SS**  trans97.687.5160.3-48-21000115.9
164N46.3Very low45.7Very low158 Ų158155.7 Ų155.785%0.84581%0.808SS**  -164.6105114.1-149.3-19000110.8
165E44.6Very low46Very low188 Ų188154.4 Ų154.488%0.87980%0.804SS**  trans-77.3125.5166.4-65.9-175.2155.500109.2
166N40.9Very low46.4Very low155 Ų155155.9 Ų155.983%0.82981%0.806SS**  trans-143.6111.7146.4-147.99.7000108.9
167S42.6Very low47Very low100 Ų100153.8 Ų153.870%0.69980%0.801SS**  trans-62.3137.7173.443.30000111.8
168E48.7Very low48.2Very low184 Ų184148.3 Ų148.386%0.8678%0.781SS**  trans-171.8125.8138.4-103.1164.6-155.600109
169D45.1Very low49.5Very low156 Ų156151.7 Ų151.783%0.83478%0.784SS**  trans-53.8135.8-173.5-54.3-65.8000113
170N46.5Very low50.9Low155 Ų155145.9 Ų145.983%0.82976%0.764SS**  trans-151.1127.5152.6-79.5-69.6000109.8
171E50Low52.5Low188 Ų188141.8 Ų141.888%0.87975%0.75SS**  trans-48.4137.1-179.5-70.1161.8136.400113.3D173E171-D173 PolarHBondContact O-N 3.08Å
172I39.7Very low54.1Low178 Ų178136.5 Ų136.591%0.91373%0.729SS**  trans-84.194172.1-62.9163.9000106.3
173D46.1Very low56.1Low123 Ų123136.4 Ų136.466%0.65872%0.724SS**  trans-109110.1-177.1-159.529.2000111.5E171 Q175E171-D173 PolarHBondContact O-N 3.08Å; D173-Q175 VanDerWaalsContact C-N 3.33Å; D173-Q175 PolarHBondContact O-N 3.42Å
174D57.1Low57.8Low140 Ų140135.4 Ų135.475%0.74972%0.715SS**SBendtrans506141.1-69.7-18.9000123.2L176D174-L176 PolarHBondContact O-N 3.09Å
175Q54.4Low59.5Low166 Ų166133.1 Ų133.178%0.77670%0.699SS**THydrogen-bonded Turntrans-84.4-5-177-83.5179.911.200117D173D173-Q175 VanDerWaalsContact C-N 3.33Å; D173-Q175 PolarHBondContact O-N 3.42Å
176L51.5Low61.1Low166 Ų166130.8 Ų130.887%0.86969%0.688SS**Hα-helixtrans-82.2-19.1178.4-146.175.1000113.3D174 S178D174-L176 PolarHBondContact O-N 3.09Å; L176-S178 VanDerWaalsContact C-N 3.34Å
177D60.1Low63.1Low128 Ų128126.2 Ų126.268%0.68467%0.672SS**Hα-helixtrans-79.3-21175.1-153.528.5000112.1W179 A181D177-W179 PolarHBondContact O-N 3.34Å; D177-A181 WeakPolarHBondContact O-CB 3.42Å; D177-A181 PolarHBondContact O-N 2.94Å
178S73.1Confident64.9Low74 Ų74127.4 Ų127.452%0.51767%0.667SS.*Hα-helixtrans-67.9-34177.5-173.90000113.3L176 A182L176-S178 VanDerWaalsContact C-N 3.34Å; S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 3.41Å
179W66Low66.4Low205 Ų205122.2 Ų122.278%0.77764%0.644SS**Hα-helixtrans-75.3-39.2-179.1-10769.5000112.8D177 A182 V183D177-W179 PolarHBondContact O-N 3.34Å; W179-A182 PolarHBondContact O-N 3.38Å; W179-V183 VanDerWaalsContact O-CG2 3.28Å; W179-V183 WeakPolarHBondContact O-CG2 3.41Å; W179-V183 PolarHBondContact O-N 2.92Å
180S77.3Confident67.7Low64 Ų64123.6 Ų123.645%0.44864%0.639SS.*Hα-helixtrans-66.3-45.4176.2-1640000110.7A182 V183 Q184S180-A182 PolarHBondContact O-N 3.26Å; S180-V183 PolarHBondContact O-N 3.27Å; S180-Q184 WeakPolarHBondContact O-CG 3.37Å; S180-Q184 PolarHBondContact O-N 2.76Å
181A77.6Confident69.1Low52 Ų52122.2 Ų122.243%0.4363%0.632SS.*Hα-helixtrans-61.7-40.4175.100000112.5D177 V183 Q184 H185D177-A181 WeakPolarHBondContact O-CB 3.42Å; D177-A181 PolarHBondContact O-N 2.94Å; A181-V183 PolarHBondContact O-N 2.92Å; A181-Q184 PolarHBondContact O-N 3.4Å; A181-H185 WeakPolarHBondContact O-CB 3.42Å; A181-H185 PolarHBondContact O-N 2.7Å
182A78.8Confident69.9Low53 Ų53122.9 Ų122.944%0.43863%0.626SS.*Hα-helixtrans-64.7-38.4176.500000112.7S178 W179 S180 Q186S178-A182 WeakPolarHBondContact O-CB 3.25Å; S178-A182 PolarHBondContact O-N 3.41Å; W179-A182 PolarHBondContact O-N 3.38Å; S180-A182 PolarHBondContact O-N 3.26Å; A182-Q186 WeakPolarHBondContact O-CB 3.22Å; A182-Q186 PolarHBondContact O-N 3.49Å
183V84.8Confident70.9Confident87 Ų87120.5 Ų120.553%0.52761%0.611SS.*Hα-helixtrans-66.3-42.4175.6170.60000111W179 S180 A181 Q186 A187W179-V183 VanDerWaalsContact O-CG2 3.28Å; W179-V183 WeakPolarHBondContact O-CG2 3.41Å; W179-V183 PolarHBondContact O-N 2.92Å; S180-V183 PolarHBondContact O-N 3.27Å; A181-V183 PolarHBondContact O-N 2.92Å; V183-Q186 PolarHBondContact O-N 3.29Å; V183-A187 PolarHBondContact O-N 3.22Å
184Q81.5Confident71.4Confident124 Ų124119 Ų11958%0.57961%0.61SS**Hα-helixtrans-64.1-47176.7-71.3175.57.100111.9S180 A181 Q186 A187 E188S180-Q184 WeakPolarHBondContact O-CG 3.37Å; S180-Q184 PolarHBondContact O-N 2.76Å; A181-Q184 PolarHBondContact O-N 3.4Å; Q184-Q186 VanDerWaalsContact C-N 3.29Å; Q184-Q186 PolarHBondContact O-N 3.28Å; Q184-A187 WeakPolarHBondContact O-CB 3.48Å; Q184-A187 PolarHBondContact O-N 3.13Å; Q184-A187 VanDerWaalsContact O-N 3.12Å; Q184-E188 PolarHBondContact O-N 3.41Å
185H82.3Confident71.2Confident110 Ų110117.2 Ų117.251%0.50961%0.609SS.*Hα-helixtrans-61.3-38.1177.2-174.6-106000111.8A181 E188 L189A181-H185 WeakPolarHBondContact O-CB 3.42Å; A181-H185 PolarHBondContact O-N 2.7Å; H185-E188 PolarHBondContact O-N 3.36Å; H185-L189 VanDerWaalsContact O-CG 3.32Å; H185-L189 WeakPolarHBondContact O-CG 3.37Å; H185-L189 PolarHBondContact O-N 3Å
186Q79.9Confident71.1Confident138 Ų138113.4 Ų113.465%0.64560%0.6SS**Hα-helixtrans-68.4-36175.7-167166.430.500112.6A182 V183 Q184 L189 Y190A182-Q186 WeakPolarHBondContact O-CB 3.22Å; A182-Q186 PolarHBondContact O-N 3.49Å; V183-Q186 PolarHBondContact O-N 3.29Å; Q184-Q186 VanDerWaalsContact C-N 3.29Å; Q184-Q186 PolarHBondContact O-N 3.28Å; Q186-L189 PolarHBondContact O-N 3.22Å; Q186-Y190 PolarHBondContact O-N 3.37Å; Q186-Y190 VanDerWaalsContact O-N 3.09Å
187A82.2Confident71.2Confident60 Ų60114.2 Ų114.250%0.49660%0.6SS.*Hα-helixtrans-65.9-40.8173.700000112V183 Q184 Y190 N191V183-A187 PolarHBondContact O-N 3.22Å; Q184-A187 WeakPolarHBondContact O-CB 3.48Å; Q184-A187 PolarHBondContact O-N 3.13Å; Q184-A187 VanDerWaalsContact O-N 3.12Å; A187-Y190 PolarHBondContact O-N 2.8Å; A187-N191 PolarHBondContact O-N 3.5Å
188E79.9Confident70.3Confident125 Ų125113.4 Ų113.458%0.58460%0.604SS**Hα-helixtrans-63.2-42.7174.6-73.9179.7168.600112.3Q184 H185 Y190 N191 R192Q184-E188 PolarHBondContact O-N 3.41Å; H185-E188 PolarHBondContact O-N 3.36Å; E188-Y190 VanDerWaalsContact C-N 3.31Å; E188-Y190 PolarHBondContact O-N 2.95Å; E188-N191 PolarHBondContact O-N 3.27Å; E188-R192 WeakPolarHBondContact O-CB 3.45Å; E188-R192 PolarHBondContact O-N 2.97Å
189L80.4Confident69Low74 Ų74115.7 Ų115.739%0.38762%0.615SS.*Hα-helixtrans-62-38.3175.2-72.6177.9000112.2H185 Q186 Q193H185-L189 VanDerWaalsContact O-CG 3.32Å; H185-L189 WeakPolarHBondContact O-CG 3.37Å; H185-L189 PolarHBondContact O-N 3Å; Q186-L189 PolarHBondContact O-N 3.22Å; L189-Q193 WeakPolarHBondContact O-CB 3.19Å; L189-Q193 VanDerWaalsContact O-CG 3.26Å; L189-Q193 WeakPolarHBondContact O-CG 2.98Å; L189-Q193 PolarHBondContact O-N 2.98Å; L189-Q193 VanDerWaalsContact O-N 3.13Å; L189-Q193 PolarHBondContact O-NE2 3.38Å
190Y72.7Confident68.1Low185 Ų185112.2 Ų112.273%0.72562%0.622SS**Hα-helixtrans-68-42.2177.7-143.9-93000111.2Q186 A187 E188 R192 Q193 S194Q186-Y190 PolarHBondContact O-N 3.37Å; Q186-Y190 VanDerWaalsContact O-N 3.09Å; A187-Y190 PolarHBondContact O-N 2.8Å; E188-Y190 VanDerWaalsContact C-N 3.31Å; E188-Y190 PolarHBondContact O-N 2.95Å; Y190-R192 VanDerWaalsContact C-N 3.34Å; Y190-R192 PolarHBondContact O-N 3.08Å; Y190-Q193 PolarHBondContact O-N 3.31Å; Y190-S194 PolarHBondContact O-N 3.22Å; Y190-S194 PolarHBondContact O-OG 3.38Å
191N74.7Confident67.1Low126 Ų126118 Ų11867%0.67464%0.639SS**Hα-helixtrans-67.9-32.8178-160.246000112.6A187 E188 S194A187-N191 PolarHBondContact O-N 3.5Å; E188-N191 PolarHBondContact O-N 3.27Å; N191-S194 WeakPolarHBondContact CA-OG 3.03Å; N191-S194 PolarHBondContact O-OG 3.18Å
192R67.1Low65.9Low203 Ų203125.3 Ų125.377%0.76666%0.662SS**Hα-helixtrans-70.9-27.3172.6-98.7180154-1060.1113.7E188 Y190 S195E188-R192 WeakPolarHBondContact O-CB 3.45Å; E188-R192 PolarHBondContact O-N 2.97Å; Y190-R192 VanDerWaalsContact C-N 3.34Å; Y190-R192 PolarHBondContact O-N 3.08Å; R192-S195 PolarHBondContact O-OG 2.88Å
193Q62Low64.6Low127 Ų127131 Ų13159%0.59368%0.684SS**Hα-helixtrans-86.9-17.9-178.5-74.2173.446.100113.1L189 Y190 S195 S196L189-Q193 WeakPolarHBondContact O-CB 3.19Å; L189-Q193 VanDerWaalsContact O-CG 3.26Å; L189-Q193 WeakPolarHBondContact O-CG 2.98Å; L189-Q193 PolarHBondContact O-N 2.98Å; L189-Q193 VanDerWaalsContact O-N 3.13Å; L189-Q193 PolarHBondContact O-NE2 3.38Å; Y190-Q193 PolarHBondContact O-N 3.31Å; Q193-S195 PolarHBondContact O-N 3.03Å; Q193-S195 VanDerWaalsContact O-N 3.13Å; Q193-S196 PolarHBondContact O-N 2.76Å
194S55.6Low62.8Low91 Ų91132.3 Ų132.364%0.63670%0.695SS**THydrogen-bonded Turntrans-67.4-3.1173.623.40000115.1Y190 N191Y190-S194 PolarHBondContact O-N 3.22Å; Y190-S194 PolarHBondContact O-OG 3.38Å; N191-S194 WeakPolarHBondContact CA-OG 3.03Å; N191-S194 PolarHBondContact O-OG 3.18Å
195S53.4Low61.9Low104 Ų104134.2 Ų134.273%0.72771%0.708SS**THydrogen-bonded Turntrans-111.77179.557.30000115.5R192 Q193R192-S195 PolarHBondContact O-OG 2.88Å; Q193-S195 PolarHBondContact O-N 3.03Å; Q193-S195 VanDerWaalsContact O-N 3.13Å
196S51.8Low60.5Low85 Ų85139.7 Ų139.759%0.59472%0.724SS**SBendtrans-136.898.3179.962.40000114Q193Q193-S196 PolarHBondContact O-N 2.76Å
197Q53.4Low59.5Low183 Ų183142.2 Ų142.286%0.85574%0.736SS**  trans16106.4147.3-67.8172.53.700118.7
198S40.8Very low58Low112 Ų112146.5 Ų146.578%0.78375%0.75SS**  trans12.3105.1139.459.20000119.2
199T46Very low56.3Low122 Ų122146.3 Ų146.375%0.74876%0.763SS**  trans-144113.7142.254.20000110.6K201T199-K201 PolarHBondContact O-N 3.29Å
200S48.1Very low55.4Low132 Ų132152.3 Ų152.392%0.92378%0.782SS**  trans-75.8105.6-179.8-58.50000111
201K55.2Low54.2Low185 Ų185150.4 Ų150.480%0.80478%0.777SS**  trans-99.3107.6169.7-69.8-178-176.5172.30110.3T199 L203T199-K201 PolarHBondContact O-N 3.29Å; K201-L203 PolarHBondContact O-N 3.15Å
202K53.1Low53Low206 Ų206150.1 Ų150.190%0.89679%0.786SS**  trans-61.9123.4174.2-132171.8-177.1176.40109.3C204K202-C204 PolarHBondContact O-N 3.2Å
203L52.3Low52.4Low173 Ų173146.5 Ų146.591%0.90678%0.781SS**  trans-73.7109172.1-69.1169.7000109.2K201K201-L203 PolarHBondContact O-N 3.15Å
204C46.8Very low52.4Low113 Ų113148.9 Ų148.976%0.76479%0.792SS**  trans-82.1128.8168.554.60000109.7K202 R206K202-C204 PolarHBondContact O-N 3.2Å; C204-R206 PolarHBondContact O-N 3.27Å
205I62.2Low52.8Low164 Ų164153.2 Ų153.284%0.84180%0.802SS**  trans-74.9112171.6-65.2166000106.6Q207I205-Q207 PolarHBondContact O-N 3.28Å
206R53.6Low53.1Low225 Ų225155.5 Ų155.585%0.84981%0.807SS**  trans-63.6125.3168.6-83.9178.9156.2160.6-6.4108.6C204 N208C204-R206 PolarHBondContact O-N 3.27Å; R206-N208 PolarHBondContact O-N 3.4Å
207Q57.8Low53.7Low192 Ų192158.4 Ų158.490%0.89781%0.814SS**  trans-70.3115164.3-67.9-156-19.100107.5I205 S209I205-Q207 PolarHBondContact O-N 3.28Å; Q207-S209 PolarHBondContact O-N 3.15Å; Q207-S209 VanDerWaalsContact O-N 3.15Å
208N50.8Low54.3Low149 Ų149156.9 Ų156.980%0.79781%0.812SS**  trans-63.9113.2166.8-95.938.9000107.8R206 Y210R206-N208 PolarHBondContact O-N 3.4Å; N208-Y210 PolarHBondContact O-N 3.3Å
209S44.9Very low55.6Low122 Ų122159.2 Ų159.285%0.85382%0.815SS**  trans-48117.5156.41620000108.9Q207Q207-S209 PolarHBondContact O-N 3.15Å; Q207-S209 VanDerWaalsContact O-N 3.15Å
210Y60.1Low56.5Low200 Ų200162.3 Ų162.378%0.78484%0.842SS**  trans-136109.1174.5-176.8-96.8000107.5N208N208-Y210 PolarHBondContact O-N 3.3Å
211F48.4Very low56.9Low144 Ų144163.9 Ų163.963%0.63284%0.838SS**  trans6981.4156.9-119.3-101.1000117D213F211-D213 HydrophobicContact CD1-CB 4.48Å; F211-D213 HydrophobicContact CE1-CB 4.36Å; F211-D213 WeakPolarHBondContact CE1-OD2 3.4Å; F211-D213 WeakPolarHBondContact CZ-OD2 2.99Å
212S49.8Very low57Low121 Ų121162.7 Ų162.785%0.84684%0.84SS**  trans-105.686153.7-79.30000107.7E214S212-E214 VanDerWaalsContact C-N 3.34Å
213D53.7Low57.3Low126 Ų126160.3 Ų160.367%0.67484%0.837SS**  trans-90.878.6159.5-76.3-7.6000106.1F211F211-D213 HydrophobicContact CD1-CB 4.48Å; F211-D213 HydrophobicContact CE1-CB 4.36Å; F211-D213 WeakPolarHBondContact CE1-OD2 3.4Å; F211-D213 WeakPolarHBondContact CZ-OD2 2.99Å
214E63.5Low57.5Low178 Ų178159.6 Ų159.683%0.83283%0.833SS**  trans-108.1108.7156.8-70.3-155.4130.100106.1S212S212-E214 VanDerWaalsContact C-N 3.34Å
215E62.9Low58.2Low181 Ų181162.5 Ų162.585%0.84684%0.837SS**  trans-78.1110.8166.4-65.1-177.614900106.8I217E215-I217 PolarHBondContact O-N 3.2Å
216D59.4Low58Low152 Ų152162.4 Ų162.481%0.81384%0.837SS**  trans-64.5110.9164.6-73.9-57.3000108.2
217I65.5Low58.3Low147 Ų147157.9 Ų157.975%0.75484%0.836SS**  trans-86.4103.6166.1-72.2164000106.6E215 D219E215-I217 PolarHBondContact O-N 3.2Å; I217-D219 PolarHBondContact O-N 3.35Å
218D65Low58.3Low151 Ų151155.3 Ų155.381%0.80783%0.831SS**  trans-71110164.8-79.7-49000109
219D69.3Low58.9Low160 Ų160155.8 Ų155.886%0.85683%0.834SS**  trans-69.4125.3162.9-112.4-43000108.7I217I217-D219 PolarHBondContact O-N 3.35Å
220S64.6Low60.2Low188 Ų188158.9 Ų158.9100%1.31583%0.833SS**  trans-90.40164.9-68.70000111.4

Retrieved 220 of 220 residues in 191 ms (Link to these results)

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