A0A077ZNM4_TRITR Loading...

Protein tag 76

AlphaFold DB , UniProt , Accession A0A077ZNM4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 179 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
1M84.2Confident94.8Very high81 Ų8189.1 Ų89.140%0.39945%0.453SS..  0-630-173.2-97.5-92.600112E3 E4 L5 L89M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.1Å; M1-E4 PolarHBondContact O-N 3.15Å; M1-L5 WeakPolarHBondContact O-CB 3.27Å; M1-L5 PolarHBondContact O-N 3Å; M1-L5 HydrophobicContact SD-CD2 4.29Å; M1-L89 HydrophobicContact CB-CD1 4.09Å; M1-L89 HydrophobicContact CE-CB 4.36Å; M1-L89 HydrophobicContact CG-CB 4.09Å; M1-L89 HydrophobicContact CG-CD1 4.12Å
2H88.7Confident95.1Very high136 Ų13683.1 Ų83.163%0.6343%0.425SS*.Hα-helixtrans-55.9-40.4-174.7-66.7-55.7000114.9R6H2-R6 WeakPolarHBondContact O-CB 3.38Å; H2-R6 PolarHBondContact O-N 2.73Å; H2-R6 VanDerWaalsContact O-N 3.08Å
3E96.2Very high95.1Very high158 Ų15884.6 Ų84.674%0.73842%0.422SS*.Hα-helixtrans-67.1-51.3179.6-66.1-179.9172.900112.1M1 R6 A7M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.1Å; E3-R6 PolarHBondContact O-N 3.28Å; E3-A7 WeakPolarHBondContact O-CB 3.49Å; E3-A7 PolarHBondContact O-N 3.18Å
4E97Very high95.3Very high115 Ų11585.5 Ų85.554%0.53744%0.44SS..Hα-helixtrans-63.6-43.8-179.8-67.5179.9-151.500112.6M1 R6 A7 L8 Y25M1-E4 PolarHBondContact O-N 3.15Å; E4-R6 VanDerWaalsContact C-N 3.33Å; E4-R6 PolarHBondContact O-N 3.36Å; E4-A7 PolarHBondContact O-N 3.35Å; E4-L8 WeakPolarHBondContact O-CB 3.49Å; E4-L8 PolarHBondContact O-N 3.3Å; E4-Y25 HydrophobicContact CB-CE2 4.2Å; E4-Y25 PolarHBondContact OE2-OH 3.38Å
5L95.6Very high95.4Very high10 Ų1089.2 Ų89.25%0.05246%0.46CS..Hα-helixtrans-64.4-39.8177.8-176.465.4000111.3M1 L8 R9 I23 Y90M1-L5 WeakPolarHBondContact O-CB 3.27Å; M1-L5 PolarHBondContact O-N 3Å; M1-L5 HydrophobicContact SD-CD2 4.29Å; L5-L8 PolarHBondContact O-N 3.2Å; L5-R9 WeakPolarHBondContact O-CB 3.14Å; L5-R9 WeakPolarHBondContact O-CG 3.48Å; L5-R9 PolarHBondContact O-N 3.33Å; L5-I23 HydrophobicContact CD1-CB 4.21Å; L5-I23 HydrophobicContact CD1-CD1 4.29Å; L5-I23 HydrophobicContact CD1-CG2 3.59Å; L5-Y90 HydrophobicContact CD1-CD1 3.96Å; L5-Y90 HydrophobicContact CD1-CE1 4.42Å; L5-Y90 HydrophobicContact CD1-CG 4.45Å; L5-Y90 HydrophobicContact CD2-CD1 3.66Å; L5-Y90 HydrophobicContact CD2-CD2 3.63Å; L5-Y90 HydrophobicContact CD2-CE1 3.99Å; L5-Y90 HydrophobicContact CD2-CE2 3.97Å; L5-Y90 HydrophobicContact CD2-CG 3.49Å; L5-Y90 VanDerWaalsContact CD2-CG 3.49Å; L5-Y90 HydrophobicContact CG-CD1 4.47Å
6R96.4Very high95.5Very high163 Ų16389.6 Ų89.662%0.61546%0.463SS*.Hα-helixtrans-65-42.3175.4-173.6-174.4-63.2138.2-1.3111.1H2 E3 E4 R9 A10H2-R6 WeakPolarHBondContact O-CB 3.38Å; H2-R6 PolarHBondContact O-N 2.73Å; H2-R6 VanDerWaalsContact O-N 3.08Å; E3-R6 PolarHBondContact O-N 3.28Å; E4-R6 VanDerWaalsContact C-N 3.33Å; E4-R6 PolarHBondContact O-N 3.36Å; R6-R9 PolarHBondContact O-N 2.97Å; R6-A10 WeakPolarHBondContact O-CB 3.39Å; R6-A10 PolarHBondContact O-N 2.65Å
7A97.6Very high95.5Very high60 Ų6095.2 Ų95.250%0.49648%0.483SS..Hα-helixtrans-62.3-44.5176.700000111.4E3 E4 R9 A10 A11E3-A7 WeakPolarHBondContact O-CB 3.49Å; E3-A7 PolarHBondContact O-N 3.18Å; E4-A7 PolarHBondContact O-N 3.35Å; A7-R9 PolarHBondContact O-N 3.09Å; A7-A10 PolarHBondContact O-N 3.18Å; A7-A11 PolarHBondContact O-N 3.06Å
8L96.6Very high95.5Very high84 Ų8493.2 Ų93.244%0.4449%0.49SS..Hα-helixtrans-61.2-46177.1-170.566.1000111.5E4 L5 A10 A11 C12 I23E4-L8 WeakPolarHBondContact O-CB 3.49Å; E4-L8 PolarHBondContact O-N 3.3Å; L5-L8 PolarHBondContact O-N 3.2Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.17Å; L8-A11 WeakPolarHBondContact O-CB 3.48Å; L8-A11 PolarHBondContact O-N 3.44Å; L8-C12 PolarHBondContact O-N 2.99Å; L8-C12 PolarHBondContact O-SG 3.1Å; L8-C12 VanDerWaalsContact O-SG 3.4Å; L8-I23 HydrophobicContact CD2-CD1 3.85Å; L8-I23 HydrophobicContact CD2-CG1 4.13Å; L8-I23 HydrophobicContact CD2-CG2 3.85Å; L8-I23 HydrophobicContact CG-CD1 4.08Å
9R96.2Very high95.6Very high79 Ų7994.5 Ų94.530%0.29849%0.489SS..Hα-helixtrans-63.2-37175.3-74.9177.4165.1-178.8-7.5113L5 R6 A7 R13 I23 Y90 D92L5-R9 WeakPolarHBondContact O-CB 3.14Å; L5-R9 WeakPolarHBondContact O-CG 3.48Å; L5-R9 PolarHBondContact O-N 3.33Å; R6-R9 PolarHBondContact O-N 2.97Å; A7-R9 PolarHBondContact O-N 3.09Å; R9-R13 WeakPolarHBondContact O-CG 3.45Å; R9-R13 PolarHBondContact O-N 2.93Å; R9-I23 HydrophobicContact CG-CD1 3.59Å; R9-Y90 VanDerWaalsContact NH2-CE1 3.31Å; R9-Y90 PolarHBondContact NH2-OH 3.27Å; R9-D92 IonicContact CZ-OD2 2.72Å; R9-D92 IonicContact NH2-OD1 2.82Å; R9-D92 PolarHBondContact NH2-OD1 3.37Å; R9-D92 VanDerWaalsContact NH2-OD1 3.13Å; R9-D92 IonicContact NH2-OD2 3.13Å; R9-D92 PolarHBondContact NH2-OD2 3.35Å
10A97Very high95.6Very high46 Ų4699.5 Ų99.538%0.3850%0.501SS..Hα-helixtrans-66.5-40.217500000111.2R6 A7 L8 R13 S14R6-A10 WeakPolarHBondContact O-CB 3.39Å; R6-A10 PolarHBondContact O-N 2.65Å; A7-A10 PolarHBondContact O-N 3.18Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.17Å; A10-R13 PolarHBondContact O-N 3.22Å; A10-S14 PolarHBondContact O-N 3.4Å
11A97.3Very high95.7Very high48 Ų4896.8 Ų96.840%0.39749%0.49SS..Hα-helixtrans-61.6-46.8175.100000111.6A7 L8 R13 S14 L15A7-A11 PolarHBondContact O-N 3.06Å; L8-A11 WeakPolarHBondContact O-CB 3.48Å; L8-A11 PolarHBondContact O-N 3.44Å; A11-R13 VanDerWaalsContact C-N 3.32Å; A11-R13 PolarHBondContact O-N 3.48Å; A11-S14 PolarHBondContact O-N 3.01Å; A11-S14 VanDerWaalsContact O-N 3.09Å; A11-S14 PolarHBondContact O-OG 3.26Å; A11-L15 PolarHBondContact O-N 3.21Å
12C97.7Very high96.3Very high17 Ų1794.6 Ų94.612%0.11549%0.489CS..Hα-helixtrans-55.2-46.8174.4-64.90000112.1L8 S14 L15 D16 Y19 P21L8-C12 PolarHBondContact O-N 2.99Å; L8-C12 PolarHBondContact O-SG 3.1Å; L8-C12 VanDerWaalsContact O-SG 3.4Å; C12-S14 VanDerWaalsContact C-N 3.26Å; C12-S14 PolarHBondContact O-N 2.54Å; C12-L15 WeakPolarHBondContact O-CB 3.49Å; C12-L15 PolarHBondContact O-N 3.13Å; C12-D16 PolarHBondContact O-N 2.86Å; C12-Y19 HydrophobicContact CB-CD1 3.73Å; C12-Y19 HydrophobicContact CB-CE1 4.05Å; C12-P21 HydrophobicContact CB-CG 4.48Å
13R96.3Very high96.7Very high103 Ų10388.9 Ų88.939%0.38946%0.463SS..Hα-helixtrans-68.4-22.2178.8-72.3-171-63.1-94.2-0.4114.4R9 A10 A11 L15 D16R9-R13 WeakPolarHBondContact O-CG 3.45Å; R9-R13 PolarHBondContact O-N 2.93Å; A10-R13 PolarHBondContact O-N 3.22Å; A11-R13 VanDerWaalsContact C-N 3.32Å; A11-R13 PolarHBondContact O-N 3.48Å; R13-L15 VanDerWaalsContact C-N 3.33Å; R13-D16 WeakPolarHBondContact CA-O 3.35Å; R13-D16 CarbonylContact O-C 3.56Å
14S97.5Very high96.8Very high97 Ų9783.2 Ų83.268%0.67844%0.439SS*.Hα-helixtrans-75.3-23.6175.373.60000112.9A10 A11 C12A10-S14 PolarHBondContact O-N 3.4Å; A11-S14 PolarHBondContact O-N 3.01Å; A11-S14 VanDerWaalsContact O-N 3.09Å; A11-S14 PolarHBondContact O-OG 3.26Å; C12-S14 VanDerWaalsContact C-N 3.26Å; C12-S14 PolarHBondContact O-N 2.54Å
15L97.2Very high96.8Very high141 Ų14180.1 Ų80.174%0.73842%0.423SS*.Hα-helixtrans-77.7-47173.4-64.3172.1000111A11 C12 R13A11-L15 PolarHBondContact O-N 3.21Å; C12-L15 WeakPolarHBondContact O-CB 3.49Å; C12-L15 PolarHBondContact O-N 3.13Å; R13-L15 VanDerWaalsContact C-N 3.33Å
16D97.2Very high97Very high95 Ų9581.9 Ų81.951%0.50843%0.434SS..  trans-154.2136.9176.2177.7-78.9000109.8C12 R13 G18 Y19C12-D16 PolarHBondContact O-N 2.86Å; R13-D16 WeakPolarHBondContact CA-O 3.35Å; R13-D16 CarbonylContact O-C 3.56Å; D16-G18 VanDerWaalsContact C-N 3.26Å; D16-G18 PolarHBondContact O-N 3.43Å; D16-G18 VanDerWaalsContact OD1-CA 3.27Å; D16-G18 WeakPolarHBondContact OD1-CA 3.38Å; D16-G18 PolarHBondContact OD1-N 3.21Å; D16-Y19 PolarHBondContact O-N 3.48Å; D16-Y19 VanDerWaalsContact O-N 3.15Å; D16-Y19 PolarHBondContact OD1-N 3.03Å; D16-Y19 VanDerWaalsContact OD1-N 3.1Å
17K94.2Very high97Very high186 Ų18676.1 Ų76.181%0.80942%0.417SS*.THydrogen-bonded Turntrans-64.4-29.4-175-70.3-177.3-179.5175.90113.3
18G96.3Very high97Very high59 Ų5975 Ų7561%0.60840%0.404SS*.THydrogen-bonded Turntrans-86.5-16.2177.200000113.8D16 R20D16-G18 VanDerWaalsContact C-N 3.26Å; D16-G18 PolarHBondContact O-N 3.43Å; D16-G18 VanDerWaalsContact OD1-CA 3.27Å; D16-G18 WeakPolarHBondContact OD1-CA 3.38Å; D16-G18 PolarHBondContact OD1-N 3.21Å; G18-R20 PolarHBondContact O-N 2.88Å
19Y97.2Very high97.1Very high117 Ų11775.3 Ų75.346%0.45940%0.403SS..  trans-71.799.3-178.4-174.3-122.9000112.4C12 D16 P21C12-Y19 HydrophobicContact CB-CD1 3.73Å; C12-Y19 HydrophobicContact CB-CE1 4.05Å; D16-Y19 PolarHBondContact O-N 3.48Å; D16-Y19 VanDerWaalsContact O-N 3.15Å; D16-Y19 PolarHBondContact OD1-N 3.03Å; D16-Y19 VanDerWaalsContact OD1-N 3.1Å; Y19-P21 HydrophobicContact CD1-CG 4.36Å; Y19-P21 HydrophobicContact CE1-CG 3.77Å; Y19-P21 HydrophobicContact CE2-CB 4.08Å; Y19-P21 HydrophobicContact CE2-CG 3.99Å
20R96.3Very high97.1Very high194 Ų19475.2 Ų75.273%0.73241%0.405SS*.  trans-127.367.7179.5-63.2-175.4178.1-160.21.1110.7G18G18-R20 PolarHBondContact O-N 2.88Å
21P97.5Very high97Very high43 Ų4383.8 Ų83.828%0.27943%0.427SS..  trans-65.3149.9177.631.6-37.4000110.7C12 Y19 I23C12-P21 HydrophobicContact CB-CG 4.48Å; Y19-P21 HydrophobicContact CD1-CG 4.36Å; Y19-P21 HydrophobicContact CE1-CG 3.77Å; Y19-P21 HydrophobicContact CE2-CB 4.08Å; Y19-P21 HydrophobicContact CE2-CG 3.99Å; P21-I23 PolarHBondContact O-N 3.42Å
22G97Very high97Very high36 Ų3683 Ų8337%0.37142%0.415SS..  trans-66.6129.3170.700000110.8N93G22-N93 PolarHBondContact O-ND2 3.48Å; G22-N93 VanDerWaalsContact O-ND2 3.1Å
23I97.5Very high97Very high16 Ų1690.9 Ų90.98%0.08245%0.45CS..  trans-108.7128.9179.5-65.6161.2000110.2L5 L8 R9 P21 Y90 D92L5-I23 HydrophobicContact CD1-CB 4.21Å; L5-I23 HydrophobicContact CD1-CD1 4.29Å; L5-I23 HydrophobicContact CD1-CG2 3.59Å; L8-I23 HydrophobicContact CD2-CD1 3.85Å; L8-I23 HydrophobicContact CD2-CG1 4.13Å; L8-I23 HydrophobicContact CD2-CG2 3.85Å; L8-I23 HydrophobicContact CG-CD1 4.08Å; R9-I23 HydrophobicContact CG-CD1 3.59Å; P21-I23 PolarHBondContact O-N 3.42Å; I23-Y90 WeakPolarHBondContact O-CD1 3.21Å; I23-D92 PolarHBondContact N-OD2 3.03Å; I23-D92 PolarHBondContact O-N 3.03Å
24T97.7Very high96.9Very high39 Ų3987.4 Ų87.424%0.23944%0.443CS..EExtended strand (participates in β ladder)trans-108122.2164.7-470000108.9V26 V88 Y90 D91 N93 L95 M100T24-V26 HydrophobicContact CG2-CG2 4.01Å; T24-V88 HydrophobicContact CG2-CG1 4.02Å; T24-Y90 CarbonylContact C-O 3.59Å; T24-Y90 WeakPolarHBondContact CA-O 3.46Å; T24-D91 WeakPolarHBondContact CB-OD1 3.27Å; T24-D91 HydrophobicContact CG2-CB 4.03Å; T24-D91 WeakPolarHBondContact CG2-OD1 3.45Å; T24-D91 PolarHBondContact OG1-OD1 3.43Å; T24-N93 PolarHBondContact OG1-ND2 3.32Å; T24-L95 HydrophobicContact CG2-CD1 4.19Å; T24-M100 HydrophobicContact CG2-SD 4.19Å
25Y97.4Very high96.9Very high49 Ų4987 Ų8719%0.19243%0.427CS..EExtended strand (participates in β ladder)trans-110.2113.3-178.3-170.5-76.1000110E4 V27 L89 Y90E4-Y25 HydrophobicContact CB-CE2 4.2Å; E4-Y25 PolarHBondContact OE2-OH 3.38Å; Y25-V27 HydrophobicContact CD1-CG2 4.32Å; Y25-V27 HydrophobicContact CE1-CG2 3.67Å; Y25-L89 HydrophobicContact CD1-CB 4.07Å; Y25-L89 HydrophobicContact CD1-CD1 4.14Å; Y25-L89 HydrophobicContact CD1-CG 4.35Å; Y25-L89 HydrophobicContact CE1-CD1 3.99Å; Y25-L89 PolarHBondContact O-N 3.48Å; Y25-Y90 PolarHBondContact N-O 3.2Å; Y25-Y90 PolarHBondContact O-N 3.1Å
26V97.9Very high96.8Very high48 Ų4882 Ų8229%0.29140%0.399SS..EExtended strand (participates in β ladder)trans-120.1124.1-176.8-169.10000110.2T24 Y86 N87 V88 M100T24-V26 HydrophobicContact CG2-CG2 4.01Å; V26-Y86 HydrophobicContact CG1-CD1 4.08Å; V26-N87 WeakPolarHBondContact CA-O 3.48Å; V26-V88 HydrophobicContact CG1-CG2 4.4Å; V26-V88 HydrophobicContact CG2-CG2 4.15Å; V26-M100 HydrophobicContact CG2-SD 3.73Å
27V97.6Very high96.7Very high42 Ų4284.5 Ų84.526%0.25541%0.409SS..EExtended strand (participates in β ladder)trans-88.6127170.9178.70000109.2Y25 Q29 Y86 N87 L89Y25-V27 HydrophobicContact CD1-CG2 4.32Å; Y25-V27 HydrophobicContact CE1-CG2 3.67Å; V27-Q29 HydrophobicContact CG1-CG 3.92Å; V27-Y86 CarbonylContact O-C 3.49Å; V27-Y86 WeakPolarHBondContact O-CA 3.49Å; V27-N87 PolarHBondContact N-O 2.53Å; V27-N87 PolarHBondContact O-N 2.95Å; V27-L89 HydrophobicContact CG2-CD1 3.45Å; V27-L89 VanDerWaalsContact CG2-CD1 3.45Å; V27-L89 HydrophobicContact CG2-CG 3.95Å
28V98.5Very high96.7Very high37 Ų3776.8 Ų76.822%0.22438%0.379CS..EExtended strand (participates in β ladder)trans-107.5115.7176.4-173.90000109.9A84 K85 Y86 I120 V124V28-A84 HydrophobicContact CG1-CB 4.23Å; V28-K85 CarbonylContact C-O 3.48Å; V28-K85 WeakPolarHBondContact CA-O 3.15Å; V28-Y86 HydrophobicContact CB-CE1 4.47Å; V28-Y86 HydrophobicContact CG1-CD1 4.44Å; V28-Y86 HydrophobicContact CG1-CE1 4.01Å; V28-Y86 HydrophobicContact CG2-CD1 3.72Å; V28-Y86 HydrophobicContact CG2-CE1 3.66Å; V28-I120 HydrophobicContact CG1-CB 4.18Å; V28-I120 HydrophobicContact CG1-CG2 3.72Å; V28-V124 HydrophobicContact CB-CG2 4.49Å; V28-V124 HydrophobicContact CG2-CG2 4.13Å
29Q97.9Very high96.6Very high89 Ų8984.2 Ų84.242%0.41639%0.394SS..EExtended strand (participates in β ladder)trans-112102.4179.5-59.1-179.9-40.900109.9V27 H32 K85V27-Q29 HydrophobicContact CG1-CG 3.92Å; Q29-H32 PolarHBondContact O-CD2 3.01Å; Q29-H32 PolarHBondContact O-NE2 3.09Å; Q29-K85 HydrophobicContact CB-CB 4.26Å; Q29-K85 PolarHBondContact N-O 2.97Å; Q29-K85 PolarHBondContact O-N 3.32Å
30K96.2Very high96.5Very high77 Ų7782.7 Ų82.734%0.33539%0.394SS..  trans-79.1-25.4173.1-176.7174.9174.4171.50113S119 I120 Y125K30-S119 WeakPolarHBondContact CE-OG 3.38Å; K30-S119 PolarHBondContact NZ-OG 3Å; K30-I120 HydrophobicContact CB-CG2 3.91Å; K30-I120 HydrophobicContact CD-CG2 4.11Å; K30-I120 HydrophobicContact CG-CG2 4.28Å; K30-Y125 PolarHBondContact NZ-OH 3.28Å; K30-Y125 VanDerWaalsContact NZ-OH 3.1Å
31R95.6Very high96.3Very high227 Ų22777.8 Ų77.886%0.85738%0.382SS*.  trans-108.599.1-174.2-65-176.7-178.4175.11.3109.9
32H96.8Very high96.2Very high30 Ų3080.1 Ų80.114%0.13940%0.4CS..SBendtrans-151.3178172.654.968.3000110.3Q29 A34 R35 Y70 P83 K85Q29-H32 PolarHBondContact O-CD2 3.01Å; Q29-H32 PolarHBondContact O-NE2 3.09Å; H32-A34 PolarHBondContact ND1-N 3.28Å; H32-A34 PolarHBondContact ND1-O 3.05Å; H32-R35 PolarHBondContact O-NH1 2.73Å; H32-R35 PolarHBondContact O-NH2 3.09Å; H32-Y70 AromaticContact CE1-CD1 3.85Å; H32-Y70 AromaticContact CE1-CE1 3.6Å; H32-Y70 AromaticContact NE2-CD1 3.87Å; H32-Y70 AromaticContact NE2-CE1 3.74Å; H32-P83 PolarHBondContact CE1-O 2.98Å; H32-P83 PolarHBondContact NE2-O 2.96Å; H32-K85 PolarHBondContact NE2-N 3.23Å
33H96.6Very high96.1Very high184 Ų18483.6 Ų83.685%0.85241%0.409SS*.SBendtrans-87-22.2-175.4-62.7-78.6000114.2R35H33-R35 PolarHBondContact O-N 3.07Å
34A95.9Very high96.1Very high29 Ų2984 Ų8424%0.2442%0.415CS..  trans-58.6132.7-179.600000113H32 F36 Y70H32-A34 PolarHBondContact ND1-N 3.28Å; H32-A34 PolarHBondContact ND1-O 3.05Å; A34-F36 HydrophobicContact CB-CE2 4.13Å; A34-F36 HydrophobicContact CB-CZ 4.47Å; A34-Y70 HydrophobicContact CB-CE1 3.71Å
35R95.7Very high96Very high88 Ų8884.8 Ų84.833%0.33242%0.419SS..  trans-133.3148.7174.3-63-63.9176.5-86.2-14.6108.8H32 H33 T80H32-R35 PolarHBondContact O-NH1 2.73Å; H32-R35 PolarHBondContact O-NH2 3.09Å; H33-R35 PolarHBondContact O-N 3.07Å; R35-T80 HydrophobicContact CB-CG2 4.3Å; R35-T80 HydrophobicContact CG-CG2 4.41Å
36F95.9Very high95.7Very high38 Ų3885.1 Ų85.117%0.16744%0.438CS..  trans-131.4141-175.5-63.3-85.6000109.4A34 I51 I57 V61 Y70 P83A34-F36 HydrophobicContact CB-CE2 4.13Å; A34-F36 HydrophobicContact CB-CZ 4.47Å; F36-I51 HydrophobicContact CB-CD1 3.81Å; F36-I51 HydrophobicContact CB-CG2 4.33Å; F36-I57 HydrophobicContact CD1-CD1 3.91Å; F36-I57 HydrophobicContact CD1-CG1 3.91Å; F36-I57 HydrophobicContact CD2-CD1 4.12Å; F36-I57 HydrophobicContact CE1-CB 4.11Å; F36-I57 HydrophobicContact CE1-CD1 4.02Å; F36-I57 HydrophobicContact CE1-CG1 3.8Å; F36-I57 HydrophobicContact CE1-CG2 3.92Å; F36-I57 HydrophobicContact CE2-CD1 4.19Å; F36-I57 HydrophobicContact CG-CD1 3.94Å; F36-I57 HydrophobicContact CG-CG1 4.45Å; F36-I57 HydrophobicContact CZ-CB 4.27Å; F36-I57 HydrophobicContact CZ-CD1 4.14Å; F36-I57 HydrophobicContact CZ-CG1 4.24Å; F36-I57 HydrophobicContact CZ-CG2 4.33Å; F36-V61 HydrophobicContact CE1-CG2 3.93Å; F36-V61 HydrophobicContact CZ-CG2 4.1Å; F36-Y70 AromaticContact CE2-CD1 3.8Å; F36-Y70 HydrophobicContact CE2-CD1 3.8Å; F36-Y70 HydrophobicContact CE2-CD2 4.15Å; F36-Y70 HydrophobicContact CE2-CE1 4.31Å; F36-Y70 AromaticContact CE2-CG 3.7Å; F36-Y70 HydrophobicContact CE2-CG 3.7Å; F36-Y70 HydrophobicContact CZ-CD1 4.19Å; F36-Y70 AromaticContact CZ-CD2 3.71Å; F36-Y70 HydrophobicContact CZ-CD2 3.71Å; F36-Y70 HydrophobicContact CZ-CE2 4.1Å; F36-Y70 AromaticContact CZ-CG 3.75Å; F36-Y70 HydrophobicContact CZ-CG 3.75Å; F36-P83 HydrophobicContact CD2-CB 4.23Å; F36-P83 HydrophobicContact CD2-CG 3.68Å; F36-P83 HydrophobicContact CE2-CB 4.42Å; F36-P83 HydrophobicContact CE2-CG 4.34Å
37M94.6Very high95.3Very high146 Ų14692.8 Ų92.872%0.71947%0.467SS*.  trans-131.9149.8-179.6-62.4-179.6-177.300108.7K39M37-K39 PolarHBondContact O-N 3.29Å
38C95.4Very high95Very high24 Ų2492 Ų9216%0.16247%0.468CS..  trans-67.5132.4172.4-60.90000109D40 A44C38-D40 VanDerWaalsContact C-N 3.33Å; C38-D40 WeakPolarHBondContact CB-O 3.41Å; C38-A44 HydrophobicContact CB-CB 4.28Å
39K94.2Very high94.9Very high216 Ų21696.4 Ų96.494%0.93948%0.481SS*.SBendtrans-69.3-39.2168.6-177.3-178.3176.8-174.60110.7M37M37-K39 PolarHBondContact O-N 3.29Å
40D95.1Very high94.8Very high84 Ų8492.3 Ų92.345%0.44946%0.462SS..SBendtrans-95.2113.9172.9-174.9-12.8000109.4C38 S42 L43C38-D40 VanDerWaalsContact C-N 3.33Å; C38-D40 WeakPolarHBondContact CB-O 3.41Å; D40-S42 PolarHBondContact O-N 3.18Å; D40-S42 WeakPolarHBondContact OD1-CB 3.27Å; D40-S42 PolarHBondContact OD1-N 2.97Å; D40-S42 PolarHBondContact OD1-OG 3.42Å; D40-S42 PolarHBondContact OD2-OG 3.36Å; D40-S42 VanDerWaalsContact OD2-OG 3.07Å; D40-L43 HydrophobicContact CB-CD1 4.21Å; D40-L43 HydrophobicContact CB-CG 4.28Å; D40-L43 PolarHBondContact O-N 2.59Å; D40-L43 VanDerWaalsContact O-N 3.13Å
41D91.9Very high94.9Very high92 Ų9289.1 Ų89.149%0.49245%0.448SS..G310 helixtrans-59.8-22.3-179.4-98.810.4000113.8L43 A44 R49D41-L43 VanDerWaalsContact C-N 3.35Å; D41-A44 WeakPolarHBondContact O-CB 3.4Å; D41-A44 PolarHBondContact O-N 2.93Å; D41-R49 PolarHBondContact O-NH2 2.73Å; D41-R49 IonicContact OD1-CZ 3.6Å; D41-R49 IonicContact OD1-NH1 3.83Å; D41-R49 IonicContact OD1-NH2 3.37Å; D41-R49 PolarHBondContact OD1-NH2 2.82Å; D41-R49 IonicContact OD2-CZ 3.07Å; D41-R49 IonicContact OD2-NH1 2.78Å; D41-R49 PolarHBondContact OD2-NH1 3.33Å; D41-R49 IonicContact OD2-NH2 2.74Å; D41-R49 PolarHBondContact OD2-NH2 2.92Å
42S95.3Very high94.9Very high92 Ų9280.4 Ų80.464%0.64342%0.421SS*.G310 helixtrans-73.5-23.6176.971.30000113.6D40 A44D40-S42 PolarHBondContact O-N 3.18Å; D40-S42 WeakPolarHBondContact OD1-CB 3.27Å; D40-S42 PolarHBondContact OD1-N 2.97Å; D40-S42 PolarHBondContact OD1-OG 3.42Å; D40-S42 PolarHBondContact OD2-OG 3.36Å; D40-S42 VanDerWaalsContact OD2-OG 3.07Å; S42-A44 VanDerWaalsContact C-N 3.33Å
43L95.5Very high95Very high108 Ų10880.7 Ų80.757%0.56543%0.429SS*.G310 helixtrans-86-7.9176.6-60.3178.4000112.6D40 D41 P52D40-L43 HydrophobicContact CB-CD1 4.21Å; D40-L43 HydrophobicContact CB-CG 4.28Å; D40-L43 PolarHBondContact O-N 2.59Å; D40-L43 VanDerWaalsContact O-N 3.13Å; D41-L43 VanDerWaalsContact C-N 3.35Å; L43-P52 WeakPolarHBondContact O-CG 3.43Å
44A95.8Very high95Very high25 Ų2573.3 Ų73.321%0.20740%0.402CS..  trans-73.5136.4-177.300000111.5C38 D41 S42 R49 N50C38-A44 HydrophobicContact CB-CB 4.28Å; D41-A44 WeakPolarHBondContact O-CB 3.4Å; D41-A44 PolarHBondContact O-N 2.93Å; S42-A44 VanDerWaalsContact C-N 3.33Å; A44-R49 HydrophobicContact CB-CB 3.96Å; A44-N50 WeakPolarHBondContact CA-O 3.42Å
45V95.8Very high95.1Very high55 Ų5573.9 Ų73.933%0.33340%0.403SS..BIsolated β-bridgetrans-107.8132.8-173.6-176.10000111.7N50 P52 T75V45-N50 PolarHBondContact N-O 2.86Å; V45-N50 PolarHBondContact O-N 3.46Å; V45-P52 HydrophobicContact CG2-CB 4.08Å; V45-P52 HydrophobicContact CG2-CG 3.94Å; V45-T75 HydrophobicContact CG1-CG2 4.19Å
46G91.5Very high95.2Very high56 Ų5672.1 Ų72.158%0.57740%0.402SS*.THydrogen-bonded Turntrans70.8179.6172.200000114.4G48 R49G46-G48 PolarHBondContact O-N 2.76Å; G46-G48 VanDerWaalsContact O-N 3.16Å; G46-R49 PolarHBondContact O-N 3.08Å
47K90.4Very high95.3Very high209 Ų20971.8 Ų71.891%0.90940%0.401SS*.THydrogen-bonded Turntrans-58.5-31.2-177.6-172.7176.1-179.8177.50113.1R49K47-R49 VanDerWaalsContact C-N 3.26Å; K47-R49 PolarHBondContact O-N 3.31Å
48G91.1Very high95.4Very high27 Ų2767.3 Ų67.328%0.27838%0.38SS..THydrogen-bonded Turntrans-78.8-217800000115G46 N50G46-G48 PolarHBondContact O-N 2.76Å; G46-G48 VanDerWaalsContact O-N 3.16Å; G48-N50 VanDerWaalsContact C-N 3.26Å; G48-N50 PolarHBondContact O-N 3.2Å
49R94.8Very high95.4Very high128 Ų12875.3 Ų75.348%0.48341%0.407SS..THydrogen-bonded Turntrans51.345.2-178.2-50.7-164.471.9168.911.7112.8D41 A44 G46 K47D41-R49 PolarHBondContact O-NH2 2.73Å; D41-R49 IonicContact OD1-CZ 3.6Å; D41-R49 IonicContact OD1-NH1 3.83Å; D41-R49 IonicContact OD1-NH2 3.37Å; D41-R49 PolarHBondContact OD1-NH2 2.82Å; D41-R49 IonicContact OD2-CZ 3.07Å; D41-R49 IonicContact OD2-NH1 2.78Å; D41-R49 PolarHBondContact OD2-NH1 3.33Å; D41-R49 IonicContact OD2-NH2 2.74Å; D41-R49 PolarHBondContact OD2-NH2 2.92Å; A44-R49 HydrophobicContact CB-CB 3.96Å; G46-R49 PolarHBondContact O-N 3.08Å; K47-R49 VanDerWaalsContact C-N 3.26Å; K47-R49 PolarHBondContact O-N 3.31Å
50N96.8Very high95.3Very high3 Ų377 Ų772%0.01641%0.408CS..BIsolated β-bridgetrans-81.4158.9-175-77.1-70.4000112A44 V45 G48 G76 G79 T80 S81A44-N50 WeakPolarHBondContact CA-O 3.42Å; V45-N50 PolarHBondContact N-O 2.86Å; V45-N50 PolarHBondContact O-N 3.46Å; G48-N50 VanDerWaalsContact C-N 3.26Å; G48-N50 PolarHBondContact O-N 3.2Å; N50-G76 PolarHBondContact ND2-O 3.48Å; N50-G79 PolarHBondContact ND2-O 2.89Å; N50-G79 PolarHBondContact OD1-O 3.44Å; N50-T80 WeakPolarHBondContact OD1-CA 3.44Å; N50-S81 WeakPolarHBondContact CB-OG 3.29Å; N50-S81 WeakPolarHBondContact OD1-CB 3.35Å; N50-S81 PolarHBondContact OD1-N 2.96Å; N50-S81 PolarHBondContact OD1-OG 3.34Å
51I97.4Very high95.3Very high10 Ų1076.9 Ų76.95%0.05141%0.41CS..PPolyproline II helixtrans-59.7144.5165.257.9173.3000110.6F36 T55 C72 P83F36-I51 HydrophobicContact CB-CD1 3.81Å; F36-I51 HydrophobicContact CB-CG2 4.33Å; I51-T55 HydrophobicContact CB-CG2 4.37Å; I51-T55 HydrophobicContact CD1-CG2 3.92Å; I51-C72 HydrophobicContact CD1-CB 3.46Å; I51-C72 VanDerWaalsContact CD1-CB 3.46Å; I51-C72 HydrophobicContact CG1-CB 3.93Å; I51-P83 HydrophobicContact CD1-CG 3.76Å
52P97.1Very high95.5Very high45 Ų4573.7 Ų73.729%0.29239%0.394SS..PPolyproline II helixtrans-57.5149.4177.6-2431.9000112.9L43 V45 G54 T55L43-P52 WeakPolarHBondContact O-CG 3.43Å; V45-P52 HydrophobicContact CG2-CB 4.08Å; V45-P52 HydrophobicContact CG2-CG 3.94Å; P52-G54 PolarHBondContact O-N 3.35Å; P52-T55 WeakPolarHBondContact O-CB 3.16Å; P52-T55 PolarHBondContact O-N 3.46Å; P52-T55 PolarHBondContact O-OG1 2.88Å
53A97.3Very high95.4Very high36 Ų3671.7 Ų71.730%0.29838%0.379SS..THydrogen-bonded Turntrans-61.2135.5169.400000109.7C72A53-C72 CarbonylContact C-O 3.57Å; A53-C72 WeakPolarHBondContact CA-O 3.44Å
54G97.8Very high95.2Very high29 Ų2972.6 Ų72.630%0.29939%0.392SS..THydrogen-bonded Turntrans94.7-4.4-173.300000114.5P52 V56 C72 Y105P52-G54 PolarHBondContact O-N 3.35Å; G54-V56 PolarHBondContact O-N 3.27Å; G54-C72 PolarHBondContact N-O 3.46Å; G54-Y105 VanDerWaalsContact CA-CE2 3.42Å
55T98Very high94.9Very high41 Ų4179.4 Ų79.425%0.25243%0.425SS..EExtended strand (participates in β ladder)trans-63.1124.5175.3-57.30000110.8I51 P52 I57 C72I51-T55 HydrophobicContact CB-CG2 4.37Å; I51-T55 HydrophobicContact CD1-CG2 3.92Å; P52-T55 WeakPolarHBondContact O-CB 3.16Å; P52-T55 PolarHBondContact O-N 3.46Å; P52-T55 PolarHBondContact O-OG1 2.88Å; T55-I57 HydrophobicContact CG2-CD1 4.01Å; T55-C72 PolarHBondContact O-N 2.64Å
56V98.3Very high94.5Very high51 Ų5178.6 Ų78.631%0.30943%0.428SS..EExtended strand (participates in β ladder)trans-111138.9175.5177.10000109.9G54 D58 F69 Y70 L71 Q101G54-V56 PolarHBondContact O-N 3.27Å; V56-D58 HydrophobicContact CG1-CB 4.39Å; V56-F69 HydrophobicContact CG1-CD2 4.49Å; V56-Y70 CarbonylContact C-O 3.53Å; V56-Y70 WeakPolarHBondContact CA-O 3.27Å; V56-L71 HydrophobicContact CG2-CD1 3.71Å; V56-Q101 HydrophobicContact CG1-CG 4.03Å
57I97.6Very high94.7Very high30 Ų3078.9 Ų78.915%0.15441%0.412CS..EExtended strand (participates in β ladder)trans-127.6104.8171.9-52.191.2000108.4F36 T55 V61 F69 Y70F36-I57 HydrophobicContact CD1-CD1 3.91Å; F36-I57 HydrophobicContact CD1-CG1 3.91Å; F36-I57 HydrophobicContact CD2-CD1 4.12Å; F36-I57 HydrophobicContact CE1-CB 4.11Å; F36-I57 HydrophobicContact CE1-CD1 4.02Å; F36-I57 HydrophobicContact CE1-CG1 3.8Å; F36-I57 HydrophobicContact CE1-CG2 3.92Å; F36-I57 HydrophobicContact CE2-CD1 4.19Å; F36-I57 HydrophobicContact CG-CD1 3.94Å; F36-I57 HydrophobicContact CG-CG1 4.45Å; F36-I57 HydrophobicContact CZ-CB 4.27Å; F36-I57 HydrophobicContact CZ-CD1 4.14Å; F36-I57 HydrophobicContact CZ-CG1 4.24Å; F36-I57 HydrophobicContact CZ-CG2 4.33Å; T55-I57 HydrophobicContact CG2-CD1 4.01Å; I57-V61 HydrophobicContact CG2-CG2 3.52Å; I57-F69 CarbonylContact O-C 3.6Å; I57-F69 WeakPolarHBondContact O-CA 3.31Å; I57-Y70 PolarHBondContact N-O 2.88Å; I57-Y70 PolarHBondContact O-N 3.38Å
58D97Very high95Very high52 Ų5269.2 Ų69.228%0.27837%0.37SS..  trans-118.75.5-178.766.1-14.8000113.3V56 T62 F69 Q101V56-D58 HydrophobicContact CG1-CB 4.39Å; D58-T62 VanDerWaalsContact C-OG1 3.3Å; D58-T62 PolarHBondContact O-OG1 3.47Å; D58-F69 HydrophobicContact CB-CB 3.84Å; D58-Q101 PolarHBondContact OD2-NE2 2.94Å
59R94.7Very high95.4Very high193 Ų19368 Ų6873%0.72836%0.357SS*.SBendtrans-129.7155.3-176.9-64.9171.8-163.8-166.61.1112.2V61R59-V61 PolarHBondContact O-N 3.13Å
60R93Very high95.5Very high252 Ų25263 Ų6395%0.95134%0.339SS*.SBendtrans66-37.7172.5-57.6-174.2176.7-164.4-1.4116.8
61V94.8Very high95.6Very high81 Ų8162.9 Ų62.949%0.49134%0.338SS..SBendtrans-114.73.5-177.4-59.80000112.9F36 I57 R59 Y70F36-V61 HydrophobicContact CE1-CG2 3.93Å; F36-V61 HydrophobicContact CZ-CG2 4.1Å; I57-V61 HydrophobicContact CG2-CG2 3.52Å; R59-V61 PolarHBondContact O-N 3.13Å; V61-Y70 HydrophobicContact CG2-CE2 4.35Å
62T95.6Very high95.7Very high25 Ų2562.4 Ų62.415%0.15334%0.335CS..SBendtrans-87.5170.6170.841.60000110.3D58 D68 Y70D58-T62 VanDerWaalsContact C-OG1 3.3Å; D58-T62 PolarHBondContact O-OG1 3.47Å; T62-D68 VanDerWaalsContact CB-OD1 3.32Å; T62-D68 WeakPolarHBondContact CB-OD1 3.27Å; T62-D68 VanDerWaalsContact CG2-O 3.27Å; T62-D68 WeakPolarHBondContact CG2-O 3.44Å; T62-Y70 HydrophobicContact CG2-CD2 4.38Å; T62-Y70 HydrophobicContact CG2-CE2 4.47Å
63S93.7Very high95.7Very high49 Ų4960.3 Ų60.334%0.34332%0.321SS..  trans-61.7138.7176.5-74.50000110.5D65 G66 D68S63-D65 VanDerWaalsContact C-N 3.34Å; S63-D65 PolarHBondContact O-N 2.87Å; S63-G66 PolarHBondContact O-N 3.34Å; S63-D68 VanDerWaalsContact CB-OD1 3.31Å; S63-D68 WeakPolarHBondContact CB-OD1 3.39Å; S63-D68 PolarHBondContact N-OD1 3.12Å; S63-D68 PolarHBondContact N-OD2 3.44Å
64P91.4Very high95.7Very high128 Ų12860.3 Ų60.383%0.83132%0.315SS*.SBendtrans-57.9-43.4-176.9-25.333.5000113.7
65D88.4Confident95.7Very high168 Ų16862 Ų6290%0.89832%0.32SS*.SBendtrans-114.46.6-177.5-50.6-52.1000112.3S63S63-D65 VanDerWaalsContact C-N 3.34Å; S63-D65 PolarHBondContact O-N 2.87Å
66G86.8Confident95.5Very high38 Ų3860.3 Ų60.339%0.39231%0.311SS..SBendtrans-91.5154-174.600000112.2S63 D68S63-G66 PolarHBondContact O-N 3.34Å; G66-D68 PolarHBondContact O-N 2.95Å
67Y96Very high95.3Very high62 Ų6263.8 Ų63.824%0.24333%0.326CS..  trans-94.774167.4-170.1-179.6000109.5V88 L95 K96 A97 M100Y67-V88 HydrophobicContact CD1-CB 3.62Å; Y67-V88 HydrophobicContact CD1-CG1 3.78Å; Y67-V88 HydrophobicContact CD1-CG2 3.87Å; Y67-V88 HydrophobicContact CD2-CB 4.39Å; Y67-V88 HydrophobicContact CD2-CG2 4.04Å; Y67-V88 HydrophobicContact CE1-CB 4.15Å; Y67-V88 HydrophobicContact CE1-CG1 4.11Å; Y67-V88 HydrophobicContact CE1-CG2 3.98Å; Y67-V88 HydrophobicContact CE2-CG2 4.13Å; Y67-V88 HydrophobicContact CG-CB 3.74Å; Y67-V88 HydrophobicContact CG-CG1 4.41Å; Y67-V88 HydrophobicContact CG-CG2 3.89Å; Y67-V88 WeakPolarHBondContact O-CB 3.28Å; Y67-V88 PolarHBondContact O-N 3.5Å; Y67-L95 WeakPolarHBondContact CE1-O 3.18Å; Y67-L95 PolarHBondContact OH-O 2.81Å; Y67-L95 VanDerWaalsContact OH-O 3.07Å; Y67-K96 PolarHBondContact OH-O 3.05Å; Y67-K96 VanDerWaalsContact OH-O 3.09Å; Y67-A97 HydrophobicContact CE2-CB 4.32Å; Y67-A97 VanDerWaalsContact OH-CA 3.29Å; Y67-A97 WeakPolarHBondContact OH-CA 3.46Å; Y67-A97 PolarHBondContact OH-N 3.38Å; Y67-M100 WeakPolarHBondContact OH-CB 3.47Å
68D97.7Very high95.1Very high6 Ų670.9 Ų70.93%0.03236%0.359CS..EExtended strand (participates in β ladder)trans-127.9153.7177.871.5-36.3000113.2T62 S63 G66 K85 Y86 N87T62-D68 VanDerWaalsContact CB-OD1 3.32Å; T62-D68 WeakPolarHBondContact CB-OD1 3.27Å; T62-D68 VanDerWaalsContact CG2-O 3.27Å; T62-D68 WeakPolarHBondContact CG2-O 3.44Å; S63-D68 VanDerWaalsContact CB-OD1 3.31Å; S63-D68 WeakPolarHBondContact CB-OD1 3.39Å; S63-D68 PolarHBondContact N-OD1 3.12Å; S63-D68 PolarHBondContact N-OD2 3.44Å; G66-D68 PolarHBondContact O-N 2.95Å; D68-K85 WeakPolarHBondContact OD2-CE 3.4Å; D68-K85 IonicContact OD2-NZ 3.89Å; D68-K85 PolarHBondContact OD2-NZ 3.42Å; D68-Y86 CarbonylContact C-O 3.59Å; D68-Y86 WeakPolarHBondContact CA-O 3.44Å; D68-Y86 VanDerWaalsContact CB-O 3.23Å; D68-Y86 WeakPolarHBondContact CB-O 3.35Å; D68-N87 HydrophobicContact CB-CB 4.18Å
69F98.5Very high95Very high1 Ų170.4 Ų70.40%0.00437%0.367CS..EExtended strand (participates in β ladder)trans-153.2154.8176.860.2-86.6000110.8V56 I57 D58 L71 Y86 M100 Q101 A104V56-F69 HydrophobicContact CG1-CD2 4.49Å; I57-F69 CarbonylContact O-C 3.6Å; I57-F69 WeakPolarHBondContact O-CA 3.31Å; D58-F69 HydrophobicContact CB-CB 3.84Å; F69-L71 HydrophobicContact CD2-CB 4.26Å; F69-L71 HydrophobicContact CE2-CB 4.22Å; F69-Y86 HydrophobicContact CD2-CD2 4.05Å; F69-Y86 HydrophobicContact CD2-CG 4.27Å; F69-Y86 HydrophobicContact CE1-CG 4.36Å; F69-Y86 HydrophobicContact CE2-CD1 4.29Å; F69-Y86 AromaticContact CE2-CD2 3.61Å; F69-Y86 HydrophobicContact CE2-CD2 3.61Å; F69-Y86 HydrophobicContact CE2-CE2 4.35Å; F69-Y86 AromaticContact CE2-CG 3.59Å; F69-Y86 HydrophobicContact CE2-CG 3.59Å; F69-Y86 VanDerWaalsContact CZ-CB 3.43Å; F69-Y86 HydrophobicContact CZ-CD1 4.1Å; F69-Y86 HydrophobicContact CZ-CD2 4.17Å; F69-Y86 AromaticContact CZ-CG 3.65Å; F69-Y86 HydrophobicContact CZ-CG 3.65Å; F69-Y86 PolarHBondContact N-O 2.97Å; F69-Y86 PolarHBondContact O-N 2.99Å; F69-M100 HydrophobicContact CE1-CG 3.85Å; F69-M100 HydrophobicContact CZ-CG 4.09Å; F69-Q101 HydrophobicContact CD1-CG 4.19Å; F69-Q101 HydrophobicContact CD2-CG 3.87Å; F69-Q101 HydrophobicContact CE1-CG 4.24Å; F69-Q101 HydrophobicContact CE2-CB 4.46Å; F69-Q101 HydrophobicContact CE2-CG 3.92Å; F69-Q101 HydrophobicContact CG-CG 4.01Å; F69-Q101 HydrophobicContact CZ-CG 4.11Å; F69-A104 HydrophobicContact CE2-CB 4.25Å; F69-A104 HydrophobicContact CZ-CB 4.15Å
70Y98.5Very high95Very high24 Ų2464.3 Ų64.39%0.09435%0.351CS..EExtended strand (participates in β ladder)trans-98.5138.7167.3-62.4-93.6000109.6H32 A34 F36 V56 I57 V61 T62 A84 K85H32-Y70 AromaticContact CE1-CD1 3.85Å; H32-Y70 AromaticContact CE1-CE1 3.6Å; H32-Y70 AromaticContact NE2-CD1 3.87Å; H32-Y70 AromaticContact NE2-CE1 3.74Å; A34-Y70 HydrophobicContact CB-CE1 3.71Å; F36-Y70 AromaticContact CE2-CD1 3.8Å; F36-Y70 HydrophobicContact CE2-CD1 3.8Å; F36-Y70 HydrophobicContact CE2-CD2 4.15Å; F36-Y70 HydrophobicContact CE2-CE1 4.31Å; F36-Y70 AromaticContact CE2-CG 3.7Å; F36-Y70 HydrophobicContact CE2-CG 3.7Å; F36-Y70 HydrophobicContact CZ-CD1 4.19Å; F36-Y70 AromaticContact CZ-CD2 3.71Å; F36-Y70 HydrophobicContact CZ-CD2 3.71Å; F36-Y70 HydrophobicContact CZ-CE2 4.1Å; F36-Y70 AromaticContact CZ-CG 3.75Å; F36-Y70 HydrophobicContact CZ-CG 3.75Å; V56-Y70 CarbonylContact C-O 3.53Å; V56-Y70 WeakPolarHBondContact CA-O 3.27Å; I57-Y70 PolarHBondContact N-O 2.88Å; I57-Y70 PolarHBondContact O-N 3.38Å; V61-Y70 HydrophobicContact CG2-CE2 4.35Å; T62-Y70 HydrophobicContact CG2-CD2 4.38Å; T62-Y70 HydrophobicContact CG2-CE2 4.47Å; Y70-A84 WeakPolarHBondContact CA-O 3.18Å; Y70-K85 HydrophobicContact CD1-CB 3.81Å; Y70-K85 HydrophobicContact CD1-CG 4.35Å; Y70-K85 HydrophobicContact CE1-CB 3.64Å; Y70-K85 HydrophobicContact CE1-CD 4.05Å; Y70-K85 HydrophobicContact CE1-CG 4Å
71L98.6Very high95.2Very high0 Ų052.7 Ų52.70%031%0.308CS..EExtended strand (participates in β ladder)trans-130.6120.8173.516666.3000109.9V56 F69 S73 P83 A84 Y86 A104 Y105V56-L71 HydrophobicContact CG2-CD1 3.71Å; F69-L71 HydrophobicContact CD2-CB 4.26Å; F69-L71 HydrophobicContact CE2-CB 4.22Å; L71-S73 PolarHBondContact O-N 3.48Å; L71-P83 WeakPolarHBondContact O-CA 3.4Å; L71-A84 PolarHBondContact N-O 3.43Å; L71-A84 PolarHBondContact O-N 2.98Å; L71-Y86 HydrophobicContact CB-CD2 4.15Å; L71-Y86 HydrophobicContact CB-CE2 3.74Å; L71-Y86 HydrophobicContact CD2-CE2 4.16Å; L71-Y86 HydrophobicContact CG-CE2 4.4Å; L71-A104 HydrophobicContact CD2-CB 3.97Å; L71-Y105 HydrophobicContact CD1-CD2 3.97Å; L71-Y105 HydrophobicContact CD2-CD2 4.38Å
72C98.3Very high95.2Very high0 Ų053.4 Ų53.40%031%0.305CS..EExtended strand (participates in β ladder)trans-9078.7170-163.90000109.8I51 A53 G54 T55 H74 P83I51-C72 HydrophobicContact CD1-CB 3.46Å; I51-C72 VanDerWaalsContact CD1-CB 3.46Å; I51-C72 HydrophobicContact CG1-CB 3.93Å; A53-C72 CarbonylContact C-O 3.57Å; A53-C72 WeakPolarHBondContact CA-O 3.44Å; G54-C72 PolarHBondContact N-O 3.46Å; T55-C72 PolarHBondContact O-N 2.64Å; C72-H74 VanDerWaalsContact C-N 3.28Å; C72-H74 PolarHBondContact O-N 3.22Å; C72-P83 HydrophobicContact CB-CB 3.95Å; C72-P83 HydrophobicContact CB-CG 3.75Å
73S98.2Very high95.3Very high0 Ų052.3 Ų52.30%030%0.298CS..  trans-74.7-12.4-17454.60000114.9L71 C108 S117 V118 S119L71-S73 PolarHBondContact O-N 3.48Å; S73-C108 VanDerWaalsContact CB-SG 3.57Å; S73-C108 PolarHBondContact OG-SG 3.29Å; S73-S117 WeakPolarHBondContact O-CB 3.35Å; S73-S117 PolarHBondContact O-OG 3.43Å; S73-V118 WeakPolarHBondContact CB-O 3.32Å; S73-V118 PolarHBondContact OG-O 2.99Å; S73-S119 VanDerWaalsContact OG-C 3.23Å; S73-S119 WeakPolarHBondContact OG-CA 3.37Å; S73-S119 PolarHBondContact OG-O 2.72Å
74H97.5Very high95.5Very high36 Ų3650 Ų5017%0.16728%0.282CS..SBendtrans-118.5154.9-171.263.5-69.9000112.1C72 K82 S119C72-H74 VanDerWaalsContact C-N 3.28Å; C72-H74 PolarHBondContact O-N 3.22Å; H74-K82 PolarHBondContact CE1-O 3.28Å; H74-S119 WeakPolarHBondContact ND1-CA 3.48Å; H74-S119 VanDerWaalsContact ND1-CB 3.33Å; H74-S119 WeakPolarHBondContact ND1-CB 3.36Å
75T96.5Very high95.9Very high64 Ų6445.3 Ų45.339%0.39325%0.248SC..  trans-77.3126.1169.9-44.80000110.4V45 I77V45-T75 HydrophobicContact CG1-CG2 4.19Å; T75-I77 PolarHBondContact O-N 2.9Å
76G94.5Very high96.3Very high7 Ų737.5 Ų37.57%0.07221%0.206CC..  trans-71.9102.7174.600000112.9N50 S81N50-G76 PolarHBondContact ND2-O 3.48Å; G76-S81 WeakPolarHBondContact CA-OG 3.48Å
77I93.8Very high96.9Very high123 Ų12337.7 Ų37.763%0.63120%0.198SC*.  trans-70.8-45.2179.2-58.2171.2000111T75 R116T75-I77 PolarHBondContact O-N 2.9Å; I77-R116 VanDerWaalsContact CD1-NH1 3.26Å
78Q94.4Very high96.9Very high179 Ų17935.3 Ų35.384%0.83619%0.19SC*.SBendtrans-144.7144.2-175.5-176.4179.6-9.900110.7
79G94.6Very high96.8Very high43 Ų4338 Ų3844%0.44320%0.204SC..SBendtrans64.2-157.4-179.200000112.1N50N50-G79 PolarHBondContact ND2-O 2.89Å; N50-G79 PolarHBondContact OD1-O 3.44Å
80T95.2Very high96.7Very high65 Ų6541 Ų4140%0.39922%0.216SC..  trans-92.4126.5178.1-44.90000110.7R35 N50R35-T80 HydrophobicContact CB-CG2 4.3Å; R35-T80 HydrophobicContact CG-CG2 4.41Å; N50-T80 WeakPolarHBondContact OD1-CA 3.44Å
81S95.6Very high96.7Very high7 Ų741.7 Ų41.75%0.04922%0.221CC..  trans-60.8148.1176.8-59.30000110.1N50 G76 P83N50-S81 WeakPolarHBondContact CB-OG 3.29Å; N50-S81 WeakPolarHBondContact OD1-CB 3.35Å; N50-S81 PolarHBondContact OD1-N 2.96Å; N50-S81 PolarHBondContact OD1-OG 3.34Å; G76-S81 WeakPolarHBondContact CA-OG 3.48Å; S81-P83 WeakPolarHBondContact O-CD 3.29Å
82K95.8Very high96.6Very high97 Ų9744.8 Ų44.842%0.42224%0.238SC..  trans-112.493.4175.6-58.9-169.9-174-178.90108H74 A84H74-K82 PolarHBondContact CE1-O 3.28Å; K82-A84 PolarHBondContact O-N 2.99Å
83P97.5Very high96.6Very high1 Ų148.7 Ų48.71%0.00626%0.259CS..PPolyproline II helixtrans-57.1137.3172.5-27.741.6000108.7H32 F36 I51 L71 C72 S81H32-P83 PolarHBondContact CE1-O 2.98Å; H32-P83 PolarHBondContact NE2-O 2.96Å; F36-P83 HydrophobicContact CD2-CB 4.23Å; F36-P83 HydrophobicContact CD2-CG 3.68Å; F36-P83 HydrophobicContact CE2-CB 4.42Å; F36-P83 HydrophobicContact CE2-CG 4.34Å; I51-P83 HydrophobicContact CD1-CG 3.76Å; L71-P83 WeakPolarHBondContact O-CA 3.4Å; C72-P83 HydrophobicContact CB-CB 3.95Å; C72-P83 HydrophobicContact CB-CG 3.75Å; S81-P83 WeakPolarHBondContact O-CD 3.29Å
84A98.4Very high96.5Very high0 Ų055.5 Ų55.50%030%0.295CS..EExtended strand (participates in β ladder)trans-80138.5177.500000109.5V28 Y70 L71 K82 Y86 I120V28-A84 HydrophobicContact CG1-CB 4.23Å; Y70-A84 WeakPolarHBondContact CA-O 3.18Å; L71-A84 PolarHBondContact N-O 3.43Å; L71-A84 PolarHBondContact O-N 2.98Å; K82-A84 PolarHBondContact O-N 2.99Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-Y86 WeakPolarHBondContact O-CD2 3.32Å; A84-Y86 WeakPolarHBondContact O-CE2 3.41Å; A84-I120 HydrophobicContact CB-CG2 3.89Å
85K98.4Very high96.5Very high31 Ų3155.9 Ų55.914%0.13530%0.298CS..EExtended strand (participates in β ladder)trans-85.5129.3170.7-177.3174.1178.6157.50109.8V28 Q29 H32 D68 Y70V28-K85 CarbonylContact C-O 3.48Å; V28-K85 WeakPolarHBondContact CA-O 3.15Å; Q29-K85 HydrophobicContact CB-CB 4.26Å; Q29-K85 PolarHBondContact N-O 2.97Å; Q29-K85 PolarHBondContact O-N 3.32Å; H32-K85 PolarHBondContact NE2-N 3.23Å; D68-K85 WeakPolarHBondContact OD2-CE 3.4Å; D68-K85 IonicContact OD2-NZ 3.89Å; D68-K85 PolarHBondContact OD2-NZ 3.42Å; Y70-K85 HydrophobicContact CD1-CB 3.81Å; Y70-K85 HydrophobicContact CD1-CG 4.35Å; Y70-K85 HydrophobicContact CE1-CB 3.64Å; Y70-K85 HydrophobicContact CE1-CD 4.05Å; Y70-K85 HydrophobicContact CE1-CG 4Å
86Y98.6Very high96.6Very high4 Ų460.4 Ų60.42%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-110.3129.7173.9-65.6-104000107.6V26 V27 V28 D68 F69 L71 A84 A104 P121V26-Y86 HydrophobicContact CG1-CD1 4.08Å; V27-Y86 CarbonylContact O-C 3.49Å; V27-Y86 WeakPolarHBondContact O-CA 3.49Å; V28-Y86 HydrophobicContact CB-CE1 4.47Å; V28-Y86 HydrophobicContact CG1-CD1 4.44Å; V28-Y86 HydrophobicContact CG1-CE1 4.01Å; V28-Y86 HydrophobicContact CG2-CD1 3.72Å; V28-Y86 HydrophobicContact CG2-CE1 3.66Å; D68-Y86 CarbonylContact C-O 3.59Å; D68-Y86 WeakPolarHBondContact CA-O 3.44Å; D68-Y86 VanDerWaalsContact CB-O 3.23Å; D68-Y86 WeakPolarHBondContact CB-O 3.35Å; F69-Y86 HydrophobicContact CD2-CD2 4.05Å; F69-Y86 HydrophobicContact CD2-CG 4.27Å; F69-Y86 HydrophobicContact CE1-CG 4.36Å; F69-Y86 HydrophobicContact CE2-CD1 4.29Å; F69-Y86 AromaticContact CE2-CD2 3.61Å; F69-Y86 HydrophobicContact CE2-CD2 3.61Å; F69-Y86 HydrophobicContact CE2-CE2 4.35Å; F69-Y86 AromaticContact CE2-CG 3.59Å; F69-Y86 HydrophobicContact CE2-CG 3.59Å; F69-Y86 VanDerWaalsContact CZ-CB 3.43Å; F69-Y86 HydrophobicContact CZ-CD1 4.1Å; F69-Y86 HydrophobicContact CZ-CD2 4.17Å; F69-Y86 AromaticContact CZ-CG 3.65Å; F69-Y86 HydrophobicContact CZ-CG 3.65Å; F69-Y86 PolarHBondContact N-O 2.97Å; F69-Y86 PolarHBondContact O-N 2.99Å; L71-Y86 HydrophobicContact CB-CD2 4.15Å; L71-Y86 HydrophobicContact CB-CE2 3.74Å; L71-Y86 HydrophobicContact CD2-CE2 4.16Å; L71-Y86 HydrophobicContact CG-CE2 4.4Å; A84-Y86 HydrophobicContact CB-CE2 3.77Å; A84-Y86 WeakPolarHBondContact O-CD2 3.32Å; A84-Y86 WeakPolarHBondContact O-CE2 3.41Å; Y86-A104 HydrophobicContact CD1-CB 4.15Å; Y86-A104 HydrophobicContact CE1-CB 3.76Å; Y86-P121 HydrophobicContact CE1-CG 3.73Å; Y86-P121 VanDerWaalsContact OH-CD 3.28Å; Y86-P121 WeakPolarHBondContact OH-CD 3.32Å
87N97.5Very high96.7Very high41 Ų4161.9 Ų61.922%0.21932%0.323CS..EExtended strand (participates in β ladder)trans-127.7112.5175.7-171.7-6.2000108.9V26 V27 D68 L89V26-N87 WeakPolarHBondContact CA-O 3.48Å; V27-N87 PolarHBondContact N-O 2.53Å; V27-N87 PolarHBondContact O-N 2.95Å; D68-N87 HydrophobicContact CB-CB 4.18Å; N87-L89 HydrophobicContact CB-CD2 4.37Å; N87-L89 PolarHBondContact O-N 2.84Å
88V97.5Very high96.8Very high12 Ų1261.8 Ų61.87%0.07333%0.325CS..EExtended strand (participates in β ladder)trans-80.6100.7177-173.70000107.5T24 V26 Y67 D91 M100T24-V88 HydrophobicContact CG2-CG1 4.02Å; V26-V88 HydrophobicContact CG1-CG2 4.4Å; V26-V88 HydrophobicContact CG2-CG2 4.15Å; Y67-V88 HydrophobicContact CD1-CB 3.62Å; Y67-V88 HydrophobicContact CD1-CG1 3.78Å; Y67-V88 HydrophobicContact CD1-CG2 3.87Å; Y67-V88 HydrophobicContact CD2-CB 4.39Å; Y67-V88 HydrophobicContact CD2-CG2 4.04Å; Y67-V88 HydrophobicContact CE1-CB 4.15Å; Y67-V88 HydrophobicContact CE1-CG1 4.11Å; Y67-V88 HydrophobicContact CE1-CG2 3.98Å; Y67-V88 HydrophobicContact CE2-CG2 4.13Å; Y67-V88 HydrophobicContact CG-CB 3.74Å; Y67-V88 HydrophobicContact CG-CG1 4.41Å; Y67-V88 HydrophobicContact CG-CG2 3.89Å; Y67-V88 WeakPolarHBondContact O-CB 3.28Å; Y67-V88 PolarHBondContact O-N 3.5Å; V88-D91 HydrophobicContact CG1-CB 3.99Å; V88-M100 HydrophobicContact CG2-CG 4.06Å; V88-M100 HydrophobicContact CG2-SD 4.18Å
89L96Very high97Very high62 Ų6256.4 Ų56.433%0.32530%0.304SS..EExtended strand (participates in β ladder)trans-84.6-21.3-177.4-59.8-173.1000112.8M1 Y25 V27 N87M1-L89 HydrophobicContact CB-CD1 4.09Å; M1-L89 HydrophobicContact CE-CB 4.36Å; M1-L89 HydrophobicContact CG-CB 4.09Å; M1-L89 HydrophobicContact CG-CD1 4.12Å; Y25-L89 HydrophobicContact CD1-CB 4.07Å; Y25-L89 HydrophobicContact CD1-CD1 4.14Å; Y25-L89 HydrophobicContact CD1-CG 4.35Å; Y25-L89 HydrophobicContact CE1-CD1 3.99Å; Y25-L89 PolarHBondContact O-N 3.48Å; V27-L89 HydrophobicContact CG2-CD1 3.45Å; V27-L89 VanDerWaalsContact CG2-CD1 3.45Å; V27-L89 HydrophobicContact CG2-CG 3.95Å; N87-L89 HydrophobicContact CB-CD2 4.37Å; N87-L89 PolarHBondContact O-N 2.84Å
90Y96.4Very high97.2Very high66 Ų6655 Ų5526%0.25929%0.286SS..EExtended strand (participates in β ladder)trans-157.9139.4-177.3-168.1-93.7000109.9L5 R9 I23 T24 Y25 D92L5-Y90 HydrophobicContact CD1-CD1 3.96Å; L5-Y90 HydrophobicContact CD1-CE1 4.42Å; L5-Y90 HydrophobicContact CD1-CG 4.45Å; L5-Y90 HydrophobicContact CD2-CD1 3.66Å; L5-Y90 HydrophobicContact CD2-CD2 3.63Å; L5-Y90 HydrophobicContact CD2-CE1 3.99Å; L5-Y90 HydrophobicContact CD2-CE2 3.97Å; L5-Y90 HydrophobicContact CD2-CG 3.49Å; L5-Y90 VanDerWaalsContact CD2-CG 3.49Å; L5-Y90 HydrophobicContact CG-CD1 4.47Å; R9-Y90 VanDerWaalsContact NH2-CE1 3.31Å; R9-Y90 PolarHBondContact NH2-OH 3.27Å; I23-Y90 WeakPolarHBondContact O-CD1 3.21Å; T24-Y90 CarbonylContact C-O 3.59Å; T24-Y90 WeakPolarHBondContact CA-O 3.46Å; Y25-Y90 PolarHBondContact N-O 3.2Å; Y25-Y90 PolarHBondContact O-N 3.1Å; Y90-D92 HydrophobicContact CE1-CB 4.39Å; Y90-D92 WeakPolarHBondContact CE1-OD1 3.21Å; Y90-D92 WeakPolarHBondContact CE1-OD2 3.44Å; Y90-D92 PolarHBondContact OH-OD1 3.14Å
91D96.6Very high97.3Very high37 Ų3753 Ų5320%0.19827%0.272CS..EExtended strand (participates in β ladder)trans-152.897.4-179.4-171.218.5000113T24 V88 N93 N94 L95T24-D91 WeakPolarHBondContact CB-OD1 3.27Å; T24-D91 HydrophobicContact CG2-CB 4.03Å; T24-D91 WeakPolarHBondContact CG2-OD1 3.45Å; T24-D91 PolarHBondContact OG1-OD1 3.43Å; V88-D91 HydrophobicContact CG1-CB 3.99Å; D91-N93 WeakPolarHBondContact OD1-CB 3.46Å; D91-N93 PolarHBondContact OD1-N 3.03Å; D91-N94 PolarHBondContact OD1-N 2.97Å; D91-N94 WeakPolarHBondContact OD2-CA 3.47Å; D91-N94 PolarHBondContact OD2-N 3.48Å; D91-L95 PolarHBondContact OD2-N 2.97Å
92D97.5Very high97.5Very high66 Ų6654.3 Ų54.335%0.35328%0.283SS..THydrogen-bonded Turntrans-72.7-18.3170.5-70.9-35.4000112.3R9 I23 Y90R9-D92 IonicContact CZ-OD2 2.72Å; R9-D92 IonicContact NH2-OD1 2.82Å; R9-D92 PolarHBondContact NH2-OD1 3.37Å; R9-D92 VanDerWaalsContact NH2-OD1 3.13Å; R9-D92 IonicContact NH2-OD2 3.13Å; R9-D92 PolarHBondContact NH2-OD2 3.35Å; I23-D92 PolarHBondContact N-OD2 3.03Å; I23-D92 PolarHBondContact O-N 3.03Å; Y90-D92 HydrophobicContact CE1-CB 4.39Å; Y90-D92 WeakPolarHBondContact CE1-OD1 3.21Å; Y90-D92 WeakPolarHBondContact CE1-OD2 3.44Å; Y90-D92 PolarHBondContact OH-OD1 3.14Å
93N97.6Very high97.6Very high82 Ų8252.9 Ų52.944%0.43928%0.28SS..THydrogen-bonded Turntrans-90.4-5.1-174.1-61.5-57.4000112.9G22 T24 D91 L95G22-N93 PolarHBondContact O-ND2 3.48Å; G22-N93 VanDerWaalsContact O-ND2 3.1Å; T24-N93 PolarHBondContact OG1-ND2 3.32Å; D91-N93 WeakPolarHBondContact OD1-CB 3.46Å; D91-N93 PolarHBondContact OD1-N 3.03Å; N93-L95 VanDerWaalsContact C-N 3.27Å; N93-L95 HydrophobicContact CB-CD2 4.08Å; N93-L95 HydrophobicContact CB-CG 3.97Å; N93-L95 PolarHBondContact O-N 3.13Å
94N97Very high97.7Very high143 Ų14353.2 Ų53.277%0.76528%0.282SS*.  trans48.247.9178.6-163.337000112.9D91D91-N94 PolarHBondContact OD1-N 2.97Å; D91-N94 WeakPolarHBondContact OD2-CA 3.47Å; D91-N94 PolarHBondContact OD2-N 3.48Å
95L97.2Very high97.7Very high43 Ų4356.3 Ų56.323%0.22529%0.294CS..  trans-68.3132.9-179.8-59.6179000109.5T24 Y67 D91 N93 T99 M100 I103T24-L95 HydrophobicContact CG2-CD1 4.19Å; Y67-L95 WeakPolarHBondContact CE1-O 3.18Å; Y67-L95 PolarHBondContact OH-O 2.81Å; Y67-L95 VanDerWaalsContact OH-O 3.07Å; D91-L95 PolarHBondContact OD2-N 2.97Å; N93-L95 VanDerWaalsContact C-N 3.27Å; N93-L95 HydrophobicContact CB-CD2 4.08Å; N93-L95 HydrophobicContact CB-CG 3.97Å; N93-L95 PolarHBondContact O-N 3.13Å; L95-T99 HydrophobicContact CD2-CG2 4.35Å; L95-M100 HydrophobicContact CD1-CE 3.36Å; L95-M100 HydrophobicContact CD1-SD 4.27Å; L95-I103 HydrophobicContact CD1-CD1 4.47Å
96K97.4Very high97.7Very high160 Ų16062.3 Ų62.370%0.69632%0.317SS*.  trans-72.1154.8173.2-65.2-177.2-179.9179.20110.3Y67 D98 T99 M100Y67-K96 PolarHBondContact OH-O 3.05Å; Y67-K96 VanDerWaalsContact OH-O 3.09Å; K96-D98 VanDerWaalsContact C-N 3.33Å; K96-D98 PolarHBondContact O-N 3.49Å; K96-T99 WeakPolarHBondContact O-CB 3.25Å; K96-T99 PolarHBondContact O-N 3.05Å; K96-M100 PolarHBondContact O-N 3.24Å
97A96.7Very high97.7Very high37 Ų3764.8 Ų64.831%0.30633%0.33SS..Hα-helixtrans-46.9-53.717700000112.3Y67 T99 M100 Q101Y67-A97 HydrophobicContact CE2-CB 4.32Å; Y67-A97 VanDerWaalsContact OH-CA 3.29Å; Y67-A97 WeakPolarHBondContact OH-CA 3.46Å; Y67-A97 PolarHBondContact OH-N 3.38Å; A97-T99 VanDerWaalsContact C-N 3.32Å; A97-T99 PolarHBondContact O-N 3.12Å; A97-M100 PolarHBondContact O-N 2.97Å; A97-Q101 WeakPolarHBondContact O-CB 3.36Å; A97-Q101 WeakPolarHBondContact O-CG 3.45Å; A97-Q101 PolarHBondContact O-N 3.42Å
98D97.6Very high97.7Very high122 Ų12262.8 Ų62.865%0.65232%0.32SS*.Hα-helixtrans-58.2-42.8-179.8-58.9-28.3000112.4K96 A102K96-D98 VanDerWaalsContact C-N 3.33Å; K96-D98 PolarHBondContact O-N 3.49Å; D98-A102 VanDerWaalsContact O-CB 3.27Å; D98-A102 WeakPolarHBondContact O-CB 3.37Å; D98-A102 PolarHBondContact O-N 2.86Å
99T98.1Very high97.8Very high65 Ų6566.5 Ų66.540%0.39934%0.336SS..Hα-helixtrans-64.5-45178.7-53.10000111L95 K96 A97 A102 I103L95-T99 HydrophobicContact CD2-CG2 4.35Å; K96-T99 WeakPolarHBondContact O-CB 3.25Å; K96-T99 PolarHBondContact O-N 3.05Å; A97-T99 VanDerWaalsContact C-N 3.32Å; A97-T99 PolarHBondContact O-N 3.12Å; T99-A102 PolarHBondContact O-N 3.34Å; T99-I103 HydrophobicContact CG2-CD1 3.96Å; T99-I103 VanDerWaalsContact O-CG1 3.29Å; T99-I103 WeakPolarHBondContact O-CG1 3.45Å; T99-I103 PolarHBondContact O-N 3.34Å
100M98.2Very high97.8Very high14 Ų1468.6 Ų68.67%0.06935%0.347CS..Hα-helixtrans-67.9-40.6-179.9-175.582.6-42.800112.6T24 V26 Y67 F69 V88 L95 K96 A97 I103 A104T24-M100 HydrophobicContact CG2-SD 4.19Å; V26-M100 HydrophobicContact CG2-SD 3.73Å; Y67-M100 WeakPolarHBondContact OH-CB 3.47Å; F69-M100 HydrophobicContact CE1-CG 3.85Å; F69-M100 HydrophobicContact CZ-CG 4.09Å; V88-M100 HydrophobicContact CG2-CG 4.06Å; V88-M100 HydrophobicContact CG2-SD 4.18Å; L95-M100 HydrophobicContact CD1-CE 3.36Å; L95-M100 HydrophobicContact CD1-SD 4.27Å; K96-M100 PolarHBondContact O-N 3.24Å; A97-M100 PolarHBondContact O-N 2.97Å; M100-I103 HydrophobicContact CE-CB 4.17Å; M100-I103 HydrophobicContact CE-CD1 3.87Å; M100-I103 HydrophobicContact CE-CG2 4.3Å; M100-I103 PolarHBondContact O-N 3.13Å; M100-A104 WeakPolarHBondContact O-CB 3.44Å; M100-A104 PolarHBondContact O-N 3.37Å
101Q98.5Very high97.9Very high23 Ų2366.5 Ų66.511%0.10734%0.339CS..Hα-helixtrans-63.1-42.9175.8-67.8163.811.100111.1V56 D58 F69 A97 A104 Y105V56-Q101 HydrophobicContact CG1-CG 4.03Å; D58-Q101 PolarHBondContact OD2-NE2 2.94Å; F69-Q101 HydrophobicContact CD1-CG 4.19Å; F69-Q101 HydrophobicContact CD2-CG 3.87Å; F69-Q101 HydrophobicContact CE1-CG 4.24Å; F69-Q101 HydrophobicContact CE2-CB 4.46Å; F69-Q101 HydrophobicContact CE2-CG 3.92Å; F69-Q101 HydrophobicContact CG-CG 4.01Å; F69-Q101 HydrophobicContact CZ-CG 4.11Å; A97-Q101 WeakPolarHBondContact O-CB 3.36Å; A97-Q101 WeakPolarHBondContact O-CG 3.45Å; A97-Q101 PolarHBondContact O-N 3.42Å; Q101-A104 PolarHBondContact O-N 2.7Å; Q101-Y105 WeakPolarHBondContact O-CB 3.47Å; Q101-Y105 PolarHBondContact O-N 3.04Å
102A98.5Very high97.8Very high35 Ų3568.2 Ų68.229%0.28936%0.364SS..Hα-helixtrans-63.2-47.6176.200000112.1D98 T99 A104 Y105 Y106D98-A102 VanDerWaalsContact O-CB 3.27Å; D98-A102 WeakPolarHBondContact O-CB 3.37Å; D98-A102 PolarHBondContact O-N 2.86Å; T99-A102 PolarHBondContact O-N 3.34Å; A102-A104 VanDerWaalsContact C-N 3.35Å; A102-A104 PolarHBondContact O-N 3.22Å; A102-Y105 PolarHBondContact O-N 2.88Å; A102-Y106 HydrophobicContact CB-CD2 4.49Å; A102-Y106 HydrophobicContact CB-CE2 4.16Å; A102-Y106 VanDerWaalsContact O-CD2 3.27Å; A102-Y106 WeakPolarHBondContact O-CD2 3.38Å; A102-Y106 PolarHBondContact O-N 3.31Å
103I98.4Very high97.7Very high67 Ų6771.3 Ų71.334%0.34437%0.371SS..Hα-helixtrans-57.8-48.6175.9-69.9166.2000110.3L95 T99 M100 Y105 Y106 L107L95-I103 HydrophobicContact CD1-CD1 4.47Å; T99-I103 HydrophobicContact CG2-CD1 3.96Å; T99-I103 VanDerWaalsContact O-CG1 3.29Å; T99-I103 WeakPolarHBondContact O-CG1 3.45Å; T99-I103 PolarHBondContact O-N 3.34Å; M100-I103 HydrophobicContact CE-CB 4.17Å; M100-I103 HydrophobicContact CE-CD1 3.87Å; M100-I103 HydrophobicContact CE-CG2 4.3Å; M100-I103 PolarHBondContact O-N 3.13Å; I103-Y105 VanDerWaalsContact C-N 3.28Å; I103-Y105 PolarHBondContact O-N 2.89Å; I103-Y106 PolarHBondContact O-N 3.35Å; I103-L107 HydrophobicContact CG2-CD1 3.8Å; I103-L107 HydrophobicContact CG2-CG 4.26Å; I103-L107 WeakPolarHBondContact O-CB 3.43Å; I103-L107 VanDerWaalsContact O-CG 3.27Å; I103-L107 WeakPolarHBondContact O-CG 3.37Å; I103-L107 PolarHBondContact O-N 3.13Å
104A98.5Very high97.6Very high7 Ų770 Ų706%0.05837%0.368CS..Hα-helixtrans-58.4-41.3178.900000111.8F69 L71 Y86 M100 Q101 A102 C108F69-A104 HydrophobicContact CE2-CB 4.25Å; F69-A104 HydrophobicContact CZ-CB 4.15Å; L71-A104 HydrophobicContact CD2-CB 3.97Å; Y86-A104 HydrophobicContact CD1-CB 4.15Å; Y86-A104 HydrophobicContact CE1-CB 3.76Å; M100-A104 WeakPolarHBondContact O-CB 3.44Å; M100-A104 PolarHBondContact O-N 3.37Å; Q101-A104 PolarHBondContact O-N 2.7Å; A102-A104 VanDerWaalsContact C-N 3.35Å; A102-A104 PolarHBondContact O-N 3.22Å; A104-C108 PolarHBondContact O-SG 2.91Å
105Y98.7Very high97.5Very high65 Ų6572.6 Ų72.626%0.25538%0.378SS..Hα-helixtrans-70.9-43.6178.5-172.6-124.6000112.9G54 L71 Q101 A102 I103 L107 C108 H109G54-Y105 VanDerWaalsContact CA-CE2 3.42Å; L71-Y105 HydrophobicContact CD1-CD2 3.97Å; L71-Y105 HydrophobicContact CD2-CD2 4.38Å; Q101-Y105 WeakPolarHBondContact O-CB 3.47Å; Q101-Y105 PolarHBondContact O-N 3.04Å; A102-Y105 PolarHBondContact O-N 2.88Å; I103-Y105 VanDerWaalsContact C-N 3.28Å; I103-Y105 PolarHBondContact O-N 2.89Å; Y105-L107 PolarHBondContact O-N 2.71Å; Y105-C108 VanDerWaalsContact O-CB 3.32Å; Y105-C108 WeakPolarHBondContact O-CB 3.28Å; Y105-C108 PolarHBondContact O-N 3.41Å; Y105-C108 VanDerWaalsContact O-N 3.1Å; Y105-H109 AromaticContact CD1-CE1 3.97Å; Y105-H109 AromaticContact CD2-CE1 3.89Å; Y105-H109 AromaticContact CE1-CE1 3.61Å; Y105-H109 AromaticContact CE2-CE1 3.52Å; Y105-H109 AromaticContact CZ-CE1 3.37Å; Y105-H109 AromaticContact CZ-NE2 3.91Å; Y105-H109 PolarHBondContact O-CE1 3.49Å; Y105-H109 PolarHBondContact O-ND1 2.88Å
106Y98.5Very high97.4Very high157 Ų15776.5 Ų76.562%0.61639%0.39SS*.Hα-helixtrans-65.4-38.6178-66.5-37000112.5A102 I103 C108 H109A102-Y106 HydrophobicContact CB-CD2 4.49Å; A102-Y106 HydrophobicContact CB-CE2 4.16Å; A102-Y106 VanDerWaalsContact O-CD2 3.27Å; A102-Y106 WeakPolarHBondContact O-CD2 3.38Å; A102-Y106 PolarHBondContact O-N 3.31Å; I103-Y106 PolarHBondContact O-N 3.35Å; Y106-C108 PolarHBondContact O-N 3.3Å; Y106-C108 VanDerWaalsContact O-N 3.13Å; Y106-H109 PolarHBondContact O-N 2.9Å
107L98.5Very high97.4Very high56 Ų5670 Ų7029%0.29336%0.364SS..Hα-helixtrans-63.1-18.8174.7-69.8174.7000113.1I103 Y105 H109 I110 P121 A122I103-L107 HydrophobicContact CG2-CD1 3.8Å; I103-L107 HydrophobicContact CG2-CG 4.26Å; I103-L107 WeakPolarHBondContact O-CB 3.43Å; I103-L107 VanDerWaalsContact O-CG 3.27Å; I103-L107 WeakPolarHBondContact O-CG 3.37Å; I103-L107 PolarHBondContact O-N 3.13Å; Y105-L107 PolarHBondContact O-N 2.71Å; L107-H109 VanDerWaalsContact C-N 3.32Å; L107-I110 HydrophobicContact CD2-CD1 3.67Å; L107-I110 WeakPolarHBondContact O-CG1 3.44Å; L107-P121 HydrophobicContact CB-CB 3.76Å; L107-P121 HydrophobicContact CD1-CB 4.35Å; L107-A122 VanDerWaalsContact O-CB 3.31Å; L107-A122 WeakPolarHBondContact O-CB 3.36Å; L107-A122 PolarHBondContact O-N 3.49Å
108C98.6Very high97.4Very high0 Ų068.9 Ų68.90%035%0.354CS..THydrogen-bonded Turntrans-77.2-14.6172.6-67.90000113.7S73 A104 Y105 Y106 S117 V118S73-C108 VanDerWaalsContact CB-SG 3.57Å; S73-C108 PolarHBondContact OG-SG 3.29Å; A104-C108 PolarHBondContact O-SG 2.91Å; Y105-C108 VanDerWaalsContact O-CB 3.32Å; Y105-C108 WeakPolarHBondContact O-CB 3.28Å; Y105-C108 PolarHBondContact O-N 3.41Å; Y105-C108 VanDerWaalsContact O-N 3.1Å; Y106-C108 PolarHBondContact O-N 3.3Å; Y106-C108 VanDerWaalsContact O-N 3.13Å; C108-S117 WeakPolarHBondContact CB-OG 3.45Å; C108-S117 WeakPolarHBondContact O-CA 3.44Å; C108-V118 HydrophobicContact CB-CG2 4.43Å; C108-V118 WeakPolarHBondContact CB-O 3.48Å; C108-V118 VanDerWaalsContact O-CG2 3.27Å; C108-V118 WeakPolarHBondContact O-CG2 3.32Å; C108-V118 PolarHBondContact O-N 3.12Å
109H98.3Very high97.5Very high90 Ų9063.4 Ų63.442%0.41733%0.325SS..THydrogen-bonded Turntrans-94.6-15.2-178.7-67.276.8000113.6Y105 Y106 L107 Y111 S117Y105-H109 AromaticContact CD1-CE1 3.97Å; Y105-H109 AromaticContact CD2-CE1 3.89Å; Y105-H109 AromaticContact CE1-CE1 3.61Å; Y105-H109 AromaticContact CE2-CE1 3.52Å; Y105-H109 AromaticContact CZ-CE1 3.37Å; Y105-H109 AromaticContact CZ-NE2 3.91Å; Y105-H109 PolarHBondContact O-CE1 3.49Å; Y105-H109 PolarHBondContact O-ND1 2.88Å; Y106-H109 PolarHBondContact O-N 2.9Å; L107-H109 VanDerWaalsContact C-N 3.32Å; H109-Y111 VanDerWaalsContact C-N 3.29Å; H109-Y111 PolarHBondContact O-N 3.19Å; H109-S117 PolarHBondContact CE1-OG 2.97Å
110I97.6Very high97.5Very high106 Ų10661 Ų6154%0.54431%0.31SS..  trans-90.713.4-177.266.4168.8000113.2L107 G112 A122L107-I110 HydrophobicContact CD2-CD1 3.67Å; L107-I110 WeakPolarHBondContact O-CG1 3.44Å; I110-G112 PolarHBondContact O-N 3.38Å; I110-G112 VanDerWaalsContact O-N 3.12Å; I110-A122 HydrophobicContact CD1-CB 4.32Å; I110-A122 HydrophobicContact CG1-CB 3.69Å
111Y97.4Very high97.5Very high22 Ų2260.8 Ų60.89%0.08631%0.309CS..  trans-7799.6179.4-179.8-110.9000111H109 R113 C114 V118 A122 Y125 F126 L129H109-Y111 VanDerWaalsContact C-N 3.29Å; H109-Y111 PolarHBondContact O-N 3.19Å; Y111-R113 HydrophobicContact CD1-CB 4.21Å; Y111-R113 HydrophobicContact CE1-CB 3.57Å; Y111-R113 HydrophobicContact CE1-CG 4.39Å; Y111-R113 PolarHBondContact O-N 3.31Å; Y111-R113 WeakPolarHBondContact OH-CD 3.23Å; Y111-C114 PolarHBondContact O-N 3Å; Y111-C114 VanDerWaalsContact O-O 3.13Å; Y111-V118 HydrophobicContact CD1-CG1 3.36Å; Y111-V118 HydrophobicContact CD1-CG2 4.44Å; Y111-V118 HydrophobicContact CE1-CG1 3.94Å; Y111-V118 HydrophobicContact CG-CG1 3.9Å; Y111-V118 HydrophobicContact CG-CG2 4.12Å; Y111-A122 HydrophobicContact CD2-CB 4.45Å; Y111-Y125 HydrophobicContact CE2-CD1 4.44Å; Y111-Y125 HydrophobicContact CE2-CG 4.28Å; Y111-F126 HydrophobicContact CD2-CD1 4.18Å; Y111-F126 AromaticContact CD2-CE1 3.54Å; Y111-F126 HydrophobicContact CD2-CE1 3.54Å; Y111-F126 AromaticContact CD2-CZ 3.88Å; Y111-F126 HydrophobicContact CD2-CZ 3.88Å; Y111-F126 AromaticContact CE2-CD1 3.98Å; Y111-F126 HydrophobicContact CE2-CD1 3.98Å; Y111-F126 AromaticContact CE2-CE1 3.58Å; Y111-F126 HydrophobicContact CE2-CE1 3.58Å; Y111-F126 HydrophobicContact CE2-CZ 4.38Å; Y111-L129 HydrophobicContact CE2-CD1 4.35Å
112G94.6Very high97.5Very high72 Ų7259.7 Ų59.774%0.74230%0.304SS*.THydrogen-bonded Turntrans-64.9-2.2-169.800000117.9I110I110-G112 PolarHBondContact O-N 3.38Å; I110-G112 VanDerWaalsContact O-N 3.12Å
113R96Very high97.4Very high132 Ų13261.4 Ų61.450%0.49831%0.312SS..THydrogen-bonded Turntrans-88.9-8.3177.6-66.9-176.856.5164.5-1.3114Y111 V179Y111-R113 HydrophobicContact CD1-CB 4.21Å; Y111-R113 HydrophobicContact CE1-CB 3.57Å; Y111-R113 HydrophobicContact CE1-CG 4.39Å; Y111-R113 PolarHBondContact O-N 3.31Å; Y111-R113 WeakPolarHBondContact OH-CD 3.23Å; R113-V179 WeakPolarHBondContact CD-O 3.13Å; R113-V179 HydrophobicContact CG-CG1 3.55Å; R113-V179 PolarHBondContact NE-O 3.09Å; R113-V179 PolarHBondContact NH1-O 3.41Å
114C95.1Very high97.4Very high54 Ų5460.9 Ų60.937%0.36531%0.312SS..  trans-153.1152.4173.862.90000112.3Y111 R116Y111-C114 PolarHBondContact O-N 3Å; Y111-C114 VanDerWaalsContact O-O 3.13Å; C114-R116 PolarHBondContact O-N 3.28Å; C114-R116 PolarHBondContact SG-O 3.12Å
115M94.9Very high97.4Very high198 Ų19863 Ų6398%0.97532%0.319SS*.SBendtrans-83.944.7174-161.1-177.7-168.700111.3
116R95.4Very high97.3Very high125 Ų12561.7 Ų61.747%0.47231%0.314SS..SBendtrans-144.2146.4-177.3-63.2-17969.3174.51.6110I77 C114 V118I77-R116 VanDerWaalsContact CD1-NH1 3.26Å; C114-R116 PolarHBondContact O-N 3.28Å; C114-R116 PolarHBondContact SG-O 3.12Å; R116-V118 PolarHBondContact O-N 3.04Å
117S97.1Very high97.3Very high23 Ų2356.8 Ų56.816%0.16131%0.306CS..  trans-64129.3168.8-175.90000110.9S73 C108 H109S73-S117 WeakPolarHBondContact O-CB 3.35Å; S73-S117 PolarHBondContact O-OG 3.43Å; C108-S117 WeakPolarHBondContact CB-OG 3.45Å; C108-S117 WeakPolarHBondContact O-CA 3.44Å; H109-S117 PolarHBondContact CE1-OG 2.97Å
118V97.9Very high97.2Very high14 Ų1459.5 Ų59.59%0.08532%0.317CS..  trans-92.1167.3178.3-710000112.2S73 C108 Y111 R116 I120 Y125S73-V118 WeakPolarHBondContact CB-O 3.32Å; S73-V118 PolarHBondContact OG-O 2.99Å; C108-V118 HydrophobicContact CB-CG2 4.43Å; C108-V118 WeakPolarHBondContact CB-O 3.48Å; C108-V118 VanDerWaalsContact O-CG2 3.27Å; C108-V118 WeakPolarHBondContact O-CG2 3.32Å; C108-V118 PolarHBondContact O-N 3.12Å; Y111-V118 HydrophobicContact CD1-CG1 3.36Å; Y111-V118 HydrophobicContact CD1-CG2 4.44Å; Y111-V118 HydrophobicContact CE1-CG1 3.94Å; Y111-V118 HydrophobicContact CG-CG1 3.9Å; Y111-V118 HydrophobicContact CG-CG2 4.12Å; R116-V118 PolarHBondContact O-N 3.04Å; V118-I120 VanDerWaalsContact C-N 3.34Å; V118-I120 WeakPolarHBondContact CG2-O 3.49Å; V118-I120 PolarHBondContact O-N 2.88Å; V118-Y125 HydrophobicContact CB-CD2 3.93Å; V118-Y125 HydrophobicContact CB-CE2 3.78Å; V118-Y125 HydrophobicContact CG1-CE2 4.35Å; V118-Y125 HydrophobicContact CG2-CD2 3.84Å; V118-Y125 HydrophobicContact CG2-CE2 4.2Å
119S97.8Very high97.1Very high7 Ų760.8 Ų60.85%0.04932%0.324CS..SBendtrans-76.3-13.2-17164.50000116K30 S73 H74K30-S119 WeakPolarHBondContact CE-OG 3.38Å; K30-S119 PolarHBondContact NZ-OG 3Å; S73-S119 VanDerWaalsContact OG-C 3.23Å; S73-S119 WeakPolarHBondContact OG-CA 3.37Å; S73-S119 PolarHBondContact OG-O 2.72Å; H74-S119 WeakPolarHBondContact ND1-CA 3.48Å; H74-S119 VanDerWaalsContact ND1-CB 3.33Å; H74-S119 WeakPolarHBondContact ND1-CB 3.36Å
120I98.3Very high97Very high15 Ų1557.9 Ų57.98%0.07732%0.315CS..SBendtrans-146.3160.3179.756.7178.8000108V28 K30 A84 V118 V124 Y125V28-I120 HydrophobicContact CG1-CB 4.18Å; V28-I120 HydrophobicContact CG1-CG2 3.72Å; K30-I120 HydrophobicContact CB-CG2 3.91Å; K30-I120 HydrophobicContact CD-CG2 4.11Å; K30-I120 HydrophobicContact CG-CG2 4.28Å; A84-I120 HydrophobicContact CB-CG2 3.89Å; V118-I120 VanDerWaalsContact C-N 3.34Å; V118-I120 WeakPolarHBondContact CG2-O 3.49Å; V118-I120 PolarHBondContact O-N 2.88Å; I120-V124 HydrophobicContact CD1-CB 4.24Å; I120-V124 HydrophobicContact CD1-CG1 3.87Å; I120-Y125 HydrophobicContact CB-CD2 4.49Å; I120-Y125 HydrophobicContact CD1-CD2 3.83Å; I120-Y125 HydrophobicContact CD1-CE2 4.04Å; I120-Y125 HydrophobicContact CD1-CG 4.14Å; I120-Y125 HydrophobicContact CG1-CD2 3.19Å; I120-Y125 HydrophobicContact CG1-CE2 3.43Å; I120-Y125 VanDerWaalsContact CG1-CE2 3.43Å; I120-Y125 HydrophobicContact CG1-CG 3.95Å
121P98.5Very high96.9Very high8 Ų857 Ų575%0.05232%0.318CS..  trans-60144.4-174.8-25.138.2000111.7Y86 L107 P123 V124 Y125Y86-P121 HydrophobicContact CE1-CG 3.73Å; Y86-P121 VanDerWaalsContact OH-CD 3.28Å; Y86-P121 WeakPolarHBondContact OH-CD 3.32Å; L107-P121 HydrophobicContact CB-CB 3.76Å; L107-P121 HydrophobicContact CD1-CB 4.35Å; P121-P123 VanDerWaalsContact C-CD 3.42Å; P121-P123 VanDerWaalsContact C-N 3.31Å; P121-V124 HydrophobicContact CB-CG2 4.25Å; P121-V124 HydrophobicContact CG-CG2 4.36Å; P121-V124 WeakPolarHBondContact O-CB 3.33Å; P121-V124 PolarHBondContact O-N 2.83Å; P121-Y125 PolarHBondContact O-N 3.2Å
122A98.3Very high96.8Very high0 Ų061.7 Ų61.70%034%0.336CS..Hα-helixtrans-52.2-41-178.900000113.6L107 I110 Y111 V124 Y125 F126L107-A122 VanDerWaalsContact O-CB 3.31Å; L107-A122 WeakPolarHBondContact O-CB 3.36Å; L107-A122 PolarHBondContact O-N 3.49Å; I110-A122 HydrophobicContact CD1-CB 4.32Å; I110-A122 HydrophobicContact CG1-CB 3.69Å; Y111-A122 HydrophobicContact CD2-CB 4.45Å; A122-V124 VanDerWaalsContact C-N 3.31Å; A122-V124 PolarHBondContact O-N 2.92Å; A122-Y125 PolarHBondContact O-N 2.87Å; A122-Y125 VanDerWaalsContact O-N 3.14Å; A122-F126 HydrophobicContact CB-CD2 4.33Å; A122-F126 HydrophobicContact CB-CE2 3.88Å; A122-F126 HydrophobicContact CB-CZ 4.34Å; A122-F126 WeakPolarHBondContact O-CB 3.18Å; A122-F126 WeakPolarHBondContact O-CD2 3.49Å; A122-F126 VanDerWaalsContact O-CG 3.25Å; A122-F126 WeakPolarHBondContact O-CG 3.38Å; A122-F126 PolarHBondContact O-N 3.37Å
123P97.9Very high96.8Very high72 Ų7261.9 Ų61.947%0.46832%0.315SS..Hα-helixtrans-58.2-39.8175.4-25.635.3000113.5P121 F126 A127P121-P123 VanDerWaalsContact C-CD 3.42Å; P121-P123 VanDerWaalsContact C-N 3.31Å; P123-F126 PolarHBondContact O-N 2.79Å; P123-A127 WeakPolarHBondContact O-CB 3.16Å; P123-A127 PolarHBondContact O-N 2.94Å
124V98.2Very high96.7Very high56 Ų5657.3 Ų57.334%0.33930%0.302SS..Hα-helixtrans-69.7-39.6177.5-172.30000110.4V28 I120 P121 A122 A127 H128V28-V124 HydrophobicContact CB-CG2 4.49Å; V28-V124 HydrophobicContact CG2-CG2 4.13Å; I120-V124 HydrophobicContact CD1-CB 4.24Å; I120-V124 HydrophobicContact CD1-CG1 3.87Å; P121-V124 HydrophobicContact CB-CG2 4.25Å; P121-V124 HydrophobicContact CG-CG2 4.36Å; P121-V124 WeakPolarHBondContact O-CB 3.33Å; P121-V124 PolarHBondContact O-N 2.83Å; A122-V124 VanDerWaalsContact C-N 3.31Å; A122-V124 PolarHBondContact O-N 2.92Å; V124-A127 PolarHBondContact O-N 2.86Å; V124-H128 PolarHBondContact O-N 3.27Å; V124-H128 VanDerWaalsContact O-N 3.13Å
125Y97.4Very high96.5Very high51 Ų5162.9 Ų62.920%0.232%0.316CS..Hα-helixtrans-63.7-43.7175.4-118.3-60.4000112.1K30 Y111 V118 I120 P121 A122 H128 L129K30-Y125 PolarHBondContact NZ-OH 3.28Å; K30-Y125 VanDerWaalsContact NZ-OH 3.1Å; Y111-Y125 HydrophobicContact CE2-CD1 4.44Å; Y111-Y125 HydrophobicContact CE2-CG 4.28Å; V118-Y125 HydrophobicContact CB-CD2 3.93Å; V118-Y125 HydrophobicContact CB-CE2 3.78Å; V118-Y125 HydrophobicContact CG1-CE2 4.35Å; V118-Y125 HydrophobicContact CG2-CD2 3.84Å; V118-Y125 HydrophobicContact CG2-CE2 4.2Å; I120-Y125 HydrophobicContact CB-CD2 4.49Å; I120-Y125 HydrophobicContact CD1-CD2 3.83Å; I120-Y125 HydrophobicContact CD1-CE2 4.04Å; I120-Y125 HydrophobicContact CD1-CG 4.14Å; I120-Y125 HydrophobicContact CG1-CD2 3.19Å; I120-Y125 HydrophobicContact CG1-CE2 3.43Å; I120-Y125 VanDerWaalsContact CG1-CE2 3.43Å; I120-Y125 HydrophobicContact CG1-CG 3.95Å; P121-Y125 PolarHBondContact O-N 3.2Å; A122-Y125 PolarHBondContact O-N 2.87Å; A122-Y125 VanDerWaalsContact O-N 3.14Å; Y125-H128 WeakPolarHBondContact O-CB 3.46Å; Y125-H128 PolarHBondContact O-N 2.91Å; Y125-L129 PolarHBondContact O-N 2.78Å
126F97.8Very high96.3Very high37 Ų3758.2 Ų58.216%0.16229%0.292CS..Hα-helixtrans-65.1-41.1176.9-67.4-36.5000112.2Y111 A122 P123 H128 L129 A130 M176 F178 V179Y111-F126 HydrophobicContact CD2-CD1 4.18Å; Y111-F126 AromaticContact CD2-CE1 3.54Å; Y111-F126 HydrophobicContact CD2-CE1 3.54Å; Y111-F126 AromaticContact CD2-CZ 3.88Å; Y111-F126 HydrophobicContact CD2-CZ 3.88Å; Y111-F126 AromaticContact CE2-CD1 3.98Å; Y111-F126 HydrophobicContact CE2-CD1 3.98Å; Y111-F126 AromaticContact CE2-CE1 3.58Å; Y111-F126 HydrophobicContact CE2-CE1 3.58Å; Y111-F126 HydrophobicContact CE2-CZ 4.38Å; A122-F126 HydrophobicContact CB-CD2 4.33Å; A122-F126 HydrophobicContact CB-CE2 3.88Å; A122-F126 HydrophobicContact CB-CZ 4.34Å; A122-F126 WeakPolarHBondContact O-CB 3.18Å; A122-F126 WeakPolarHBondContact O-CD2 3.49Å; A122-F126 VanDerWaalsContact O-CG 3.25Å; A122-F126 WeakPolarHBondContact O-CG 3.38Å; A122-F126 PolarHBondContact O-N 3.37Å; P123-F126 PolarHBondContact O-N 2.79Å; F126-H128 VanDerWaalsContact C-N 3.26Å; F126-H128 PolarHBondContact O-N 3.32Å; F126-L129 HydrophobicContact CD1-CD1 4.29Å; F126-L129 PolarHBondContact O-N 3.35Å; F126-L129 VanDerWaalsContact O-N 3.12Å; F126-A130 PolarHBondContact O-N 2.98Å; F126-M176 HydrophobicContact CD1-CE 4.03Å; F126-M176 HydrophobicContact CD2-CE 3.95Å; F126-M176 HydrophobicContact CE1-CE 3.7Å; F126-M176 HydrophobicContact CE2-CE 3.6Å; F126-M176 HydrophobicContact CG-CE 4.16Å; F126-M176 HydrophobicContact CZ-CE 3.48Å; F126-M176 VanDerWaalsContact CZ-CE 3.48Å; F126-F178 HydrophobicContact CB-CE2 3.68Å; F126-F178 HydrophobicContact CB-CZ 4.27Å; F126-F178 AromaticContact CD1-CE2 3.92Å; F126-F178 HydrophobicContact CD1-CE2 3.92Å; F126-F178 AromaticContact CG-CE2 3.95Å; F126-F178 HydrophobicContact CG-CE2 3.95Å; F126-V179 HydrophobicContact CD1-CG2 4.12Å; F126-V179 HydrophobicContact CE1-CG2 3.93Å
127A97.6Very high96Very high54 Ų5455.8 Ų55.845%0.44629%0.285SS..Hα-helixtrans-57.9-40.517300000111.7P123 V124 A130 C131P123-A127 WeakPolarHBondContact O-CB 3.16Å; P123-A127 PolarHBondContact O-N 2.94Å; V124-A127 PolarHBondContact O-N 2.86Å; A127-A130 PolarHBondContact O-N 3.38Å; A127-C131 PolarHBondContact O-N 3.45Å; A127-C131 PolarHBondContact O-SG 2.77Å; A127-C131 VanDerWaalsContact O-SG 3.34Å
128H96.8Very high95.6Very high114 Ų11454.9 Ų54.953%0.52828%0.279SS..Hα-helixtrans-65-40.6175.3-174.6-123.5000112.6V124 Y125 F126 Y132V124-H128 PolarHBondContact O-N 3.27Å; V124-H128 VanDerWaalsContact O-N 3.13Å; Y125-H128 WeakPolarHBondContact O-CB 3.46Å; Y125-H128 PolarHBondContact O-N 2.91Å; F126-H128 VanDerWaalsContact C-N 3.26Å; F126-H128 PolarHBondContact O-N 3.32Å; H128-Y132 WeakPolarHBondContact O-CB 3.34Å; H128-Y132 PolarHBondContact O-N 2.61Å
129L96.9Very high94.9Very high27 Ų2761 Ų6114%0.14130%0.302CS..Hα-helixtrans-63.9-42.2174.5-68.2-179.6000112.1Y111 Y125 F126 Y132 R133 F178Y111-L129 HydrophobicContact CE2-CD1 4.35Å; Y125-L129 PolarHBondContact O-N 2.78Å; F126-L129 HydrophobicContact CD1-CD1 4.29Å; F126-L129 PolarHBondContact O-N 3.35Å; F126-L129 VanDerWaalsContact O-N 3.12Å; L129-Y132 PolarHBondContact O-N 2.61Å; L129-R133 WeakPolarHBondContact O-CB 3Å; L129-R133 PolarHBondContact O-N 3.33Å; L129-F178 HydrophobicContact CB-CB 4.39Å; L129-F178 HydrophobicContact CB-CD2 4.02Å
130A96.3Very high93.9Very high28 Ų2867.1 Ų67.123%0.23133%0.333CS..Hα-helixtrans-60.5-50.1176.300000111.1F126 A127 Y132 R133 S134 F178F126-A130 PolarHBondContact O-N 2.98Å; A127-A130 PolarHBondContact O-N 3.38Å; A130-Y132 VanDerWaalsContact C-N 3.32Å; A130-Y132 PolarHBondContact O-N 2.8Å; A130-R133 PolarHBondContact O-N 2.94Å; A130-R133 VanDerWaalsContact O-N 3.13Å; A130-S134 PolarHBondContact O-N 3.22Å; A130-S134 PolarHBondContact O-OG 3.42Å; A130-S134 VanDerWaalsContact O-OG 3.13Å; A130-F178 HydrophobicContact CB-CB 4.37Å; A130-F178 HydrophobicContact CB-CD1 4.15Å; A130-F178 HydrophobicContact CB-CG 4.14Å
131C95.5Very high92.9Very high88 Ų8870 Ų7060%0.59535%0.348SS*.Hα-helixtrans-60-40.9175.8-68.90000112.5A127 R133 S134 R135A127-C131 PolarHBondContact O-N 3.45Å; A127-C131 PolarHBondContact O-SG 2.77Å; A127-C131 VanDerWaalsContact O-SG 3.34Å; C131-R133 VanDerWaalsContact C-N 3.32Å; C131-R133 PolarHBondContact O-N 3.05Å; C131-S134 PolarHBondContact O-N 3.36Å; C131-R135 PolarHBondContact O-N 3.41Å
132Y94.9Very high91.7Very high121 Ų12173.5 Ų73.548%0.47537%0.369SS..Hα-helixtrans-63.6-39.6176.6-172.5-104.2000111.5H128 L129 A130 R135 H136H128-Y132 WeakPolarHBondContact O-CB 3.34Å; H128-Y132 PolarHBondContact O-N 2.61Å; L129-Y132 PolarHBondContact O-N 2.61Å; A130-Y132 VanDerWaalsContact C-N 3.32Å; A130-Y132 PolarHBondContact O-N 2.8Å; Y132-R135 WeakPolarHBondContact O-CB 3.25Å; Y132-R135 PolarHBondContact O-N 3.03Å; Y132-H136 AromaticContact CD1-CD2 3.79Å; Y132-H136 AromaticContact CD1-NE2 3.69Å; Y132-H136 AromaticContact CE1-CD2 3.6Å; Y132-H136 AromaticContact CE1-NE2 3Å; Y132-H136 WeakPolarHBondContact CE1-NE2 3.47Å; Y132-H136 AromaticContact CZ-NE2 3.27Å; Y132-H136 VanDerWaalsContact CZ-NE2 3.27Å; Y132-H136 PolarHBondContact O-CD2 3.33Å; Y132-H136 PolarHBondContact O-N 3.48Å; Y132-H136 PolarHBondContact OH-NE2 3.46Å
133R94.5Very high89.7Confident76 Ų7675.5 Ų75.529%0.28739%0.39SS..Hα-helixtrans-67.2-41.5175.4-167.56567.384.29.9112.1L129 A130 C131 R135 H136 H137 Y177 F178L129-R133 WeakPolarHBondContact O-CB 3Å; L129-R133 PolarHBondContact O-N 3.33Å; A130-R133 PolarHBondContact O-N 2.94Å; A130-R133 VanDerWaalsContact O-N 3.13Å; C131-R133 VanDerWaalsContact C-N 3.32Å; C131-R133 PolarHBondContact O-N 3.05Å; R133-R135 VanDerWaalsContact C-N 3.25Å; R133-R135 PolarHBondContact O-N 3.13Å; R133-H136 WeakPolarHBondContact O-CB 3.43Å; R133-H136 PolarHBondContact O-N 3.33Å; R133-H137 PolarHBondContact O-CD2 3.05Å; R133-H137 PolarHBondContact O-N 3.27Å; R133-H137 VanDerWaalsContact O-N 3.12Å; R133-Y177 HydrophobicContact CB-CE2 4.44Å; R133-Y177 HydrophobicContact CG-CD2 4.2Å; R133-Y177 HydrophobicContact CG-CE2 3.47Å; R133-Y177 VanDerWaalsContact CG-CE2 3.47Å; R133-Y177 PolarHBondContact NH1-O 3.28Å; R133-Y177 PolarHBondContact NH2-O 2.74Å; R133-F178 HydrophobicContact CB-CB 4.37Å; R133-F178 PolarHBondContact NH2-O 2.78Å
134S92.9Very high87.5Confident35 Ų3576.5 Ų76.525%0.24540%0.399CS..Hα-helixtrans-57.9-38.8173.5-57.60000112A130 C131 H136 H137 S138A130-S134 PolarHBondContact O-N 3.22Å; A130-S134 PolarHBondContact O-OG 3.42Å; A130-S134 VanDerWaalsContact O-OG 3.13Å; C131-S134 PolarHBondContact O-N 3.36Å; S134-H136 VanDerWaalsContact C-N 3.31Å; S134-H136 PolarHBondContact O-N 3.31Å; S134-H137 WeakPolarHBondContact O-CB 3.49Å; S134-H137 PolarHBondContact O-N 3.05Å; S134-S138 PolarHBondContact O-N 3.18Å; S134-S138 PolarHBondContact O-OG 2.84Å
135R90.8Very high85.1Confident171 Ų17178.4 Ų78.465%0.64542%0.415SS*.Hα-helixtrans-61.2-37.9174.3-178.5-178.9175.7-176.7-0.9112.7C131 Y132 R133 S138 Y139C131-R135 PolarHBondContact O-N 3.41Å; Y132-R135 WeakPolarHBondContact O-CB 3.25Å; Y132-R135 PolarHBondContact O-N 3.03Å; R133-R135 VanDerWaalsContact C-N 3.25Å; R133-R135 PolarHBondContact O-N 3.13Å; R135-S138 PolarHBondContact O-N 3.36Å; R135-S138 PolarHBondContact O-OG 2.95Å; R135-Y139 PolarHBondContact O-N 3.29Å
136H90.9Very high82.6Confident101 Ų10184.1 Ų84.147%0.46845%0.449SS..Hα-helixtrans-64.6-40.7174.5-79.1-72.2000111.8Y132 R133 S134 S138 Y139Y132-H136 AromaticContact CD1-CD2 3.79Å; Y132-H136 AromaticContact CD1-NE2 3.69Å; Y132-H136 AromaticContact CE1-CD2 3.6Å; Y132-H136 AromaticContact CE1-NE2 3Å; Y132-H136 WeakPolarHBondContact CE1-NE2 3.47Å; Y132-H136 AromaticContact CZ-NE2 3.27Å; Y132-H136 VanDerWaalsContact CZ-NE2 3.27Å; Y132-H136 PolarHBondContact O-CD2 3.33Å; Y132-H136 PolarHBondContact O-N 3.48Å; Y132-H136 PolarHBondContact OH-NE2 3.46Å; R133-H136 WeakPolarHBondContact O-CB 3.43Å; R133-H136 PolarHBondContact O-N 3.33Å; S134-H136 VanDerWaalsContact C-N 3.31Å; S134-H136 PolarHBondContact O-N 3.31Å; H136-S138 VanDerWaalsContact C-N 3.32Å; H136-S138 PolarHBondContact O-N 3.44Å; H136-Y139 WeakPolarHBondContact O-CB 3.29Å; H136-Y139 PolarHBondContact O-N 3.18Å
137H90.5Very high80.1Confident73 Ų7390 Ų9034%0.33848%0.477SS..Hα-helixtrans-65.1-37.3178.3-68.3-152.8000112.3R133 S134 Y139 A165 Y177R133-H137 PolarHBondContact O-CD2 3.05Å; R133-H137 PolarHBondContact O-N 3.27Å; R133-H137 VanDerWaalsContact O-N 3.12Å; S134-H137 WeakPolarHBondContact O-CB 3.49Å; S134-H137 PolarHBondContact O-N 3.05Å; H137-Y139 VanDerWaalsContact C-N 3.32Å; H137-A165 VanDerWaalsContact CB-O 3.28Å; H137-A165 WeakPolarHBondContact CB-O 3.32Å; H137-A165 PolarHBondContact ND1-O 3.26Å; H137-Y177 AromaticContact CE1-CE2 3.99Å; H137-Y177 AromaticContact NE2-CE2 3.93Å
138S88.2Confident77.3Confident4 Ų493 Ų933%0.02849%0.494CS..THydrogen-bonded Turntrans-87.95.5180700000113.8S134 R135 H136 L140 L141 T142 F162S134-S138 PolarHBondContact O-N 3.18Å; S134-S138 PolarHBondContact O-OG 2.84Å; R135-S138 PolarHBondContact O-N 3.36Å; R135-S138 PolarHBondContact O-OG 2.95Å; H136-S138 VanDerWaalsContact C-N 3.32Å; H136-S138 PolarHBondContact O-N 3.44Å; S138-L140 PolarHBondContact O-N 2.98Å; S138-L141 WeakPolarHBondContact O-CB 3.36Å; S138-L141 PolarHBondContact O-N 2.97Å; S138-T142 PolarHBondContact O-N 3.32Å; S138-T142 PolarHBondContact O-OG1 3.35Å; S138-T142 VanDerWaalsContact O-OG1 3.05Å; S138-F162 VanDerWaalsContact CB-CE2 3.46Å
139Y82.7Confident74.6Confident144 Ų14493.5 Ų93.557%0.56550%0.5SS*.Hα-helixtrans-53-49.4-169.6178-98.8000112.5R135 H136 H137 L141 T142 G143R135-Y139 PolarHBondContact O-N 3.29Å; H136-Y139 WeakPolarHBondContact O-CB 3.29Å; H136-Y139 PolarHBondContact O-N 3.18Å; H137-Y139 VanDerWaalsContact C-N 3.32Å; Y139-L141 VanDerWaalsContact C-N 3.28Å; Y139-L141 PolarHBondContact O-N 3.28Å; Y139-T142 CarbonylContact O-C 3.5Å; Y139-T142 PolarHBondContact O-N 2.81Å; Y139-T142 VanDerWaalsContact O-N 3.14Å; Y139-T142 PolarHBondContact O-OG1 2.86Å; Y139-G143 WeakPolarHBondContact O-CA 3.45Å; Y139-G143 PolarHBondContact O-N 3.45Å
140L76Confident72Confident135 Ų13595.2 Ų95.271%0.70752%0.524SS*.Hα-helixtrans-63.6-31.3179.3-65174.8000113.2S138S138-L140 PolarHBondContact O-N 2.98Å
141L78.6Confident69.5Low74 Ų7498.8 Ų98.839%0.38755%0.548SS..Hα-helixtrans-77.2-27.9177.6-62.7172.8000112.3S138 Y139 E161 A165S138-L141 WeakPolarHBondContact O-CB 3.36Å; S138-L141 PolarHBondContact O-N 2.97Å; Y139-L141 VanDerWaalsContact C-N 3.28Å; Y139-L141 PolarHBondContact O-N 3.28Å; L141-E161 HydrophobicContact CD1-CB 4.17Å; L141-E161 WeakPolarHBondContact CD1-O 3.37Å; L141-E161 HydrophobicContact CD2-CB 4.13Å; L141-A165 HydrophobicContact CD1-CB 3.59Å
142T71.9Confident67.3Low82 Ų82103 Ų10350%0.50356%0.559SS.*Hα-helixtrans-101.8-12.7-17758.20000114S138 Y139 F162S138-T142 PolarHBondContact O-N 3.32Å; S138-T142 PolarHBondContact O-OG1 3.35Å; S138-T142 VanDerWaalsContact O-OG1 3.05Å; Y139-T142 CarbonylContact O-C 3.5Å; Y139-T142 PolarHBondContact O-N 2.81Å; Y139-T142 VanDerWaalsContact O-N 3.14Å; Y139-T142 PolarHBondContact O-OG1 2.86Å; T142-F162 HydrophobicContact CG2-CE2 4.38Å
143G56.5Low65.1Low42 Ų42100.3 Ų100.343%0.43357%0.567SS.*SBendtrans-122.69.1-164.400000115.9Y139Y139-G143 WeakPolarHBondContact O-CA 3.45Å; Y139-G143 PolarHBondContact O-N 3.45Å
144S52.7Low63Low93 Ų93102.4 Ų102.465%0.6558%0.578SS**  trans-115.622.2173.3-65.50000113.4
145S47.6Very low61.2Low96 Ų96108.2 Ų108.267%0.67160%0.599SS**  trans-105.373.9-177.9-55.70000112.3E147S145-E147 VanDerWaalsContact C-N 3.26Å
146D45.7Very low59.8Low171 Ų171107.6 Ų107.691%0.91460%0.604SS**  trans-88.99.9151.5-103.3-16.3000111.8
147E43.8Very low58.3Low161 Ų161110.5 Ų110.575%0.75262%0.615SS**  trans-113105175.6-65.6-151.714500112.2S145 L149S145-E147 VanDerWaalsContact C-N 3.26Å; E147-L149 PolarHBondContact O-N 2.81Å
148S39.6Very low57.6Low116 Ų116110.4 Ų110.481%0.81162%0.623SS**  trans-54.2114160.749.70000110.8
149L40.2Very low57.3Low126 Ų126117.5 Ų117.566%0.6665%0.653SS**  trans-148.1124.7157.4-90.6116.7000111.4E147E147-L149 PolarHBondContact O-N 2.81Å
150G41.1Very low57.3Low62 Ų62115.4 Ų115.464%0.63966%0.655SS**  trans-66-168.3171.200000114.5
151S43.7Very low57.8Low104 Ų104114.3 Ų114.373%0.72765%0.646SS**  trans92.7113.5178.7-68.40000116.6G153 K154S151-G153 PolarHBondContact O-N 2.72Å; S151-K154 PolarHBondContact O-N 2.7Å
152Q50.1Low58.2Low177 Ų177115 Ų11583%0.82765%0.646SS**THydrogen-bonded Turntrans-52.6-20.8-179.6-76.4169.7-30.100114.4
153G48.6Very low59Low63 Ų63114.4 Ų114.465%0.64964%0.642SS**THydrogen-bonded Turntrans-74.2-16.2175.400000115.9S151S151-G153 PolarHBondContact O-N 2.72Å
154K51.1Low60.6Low120 Ų120122.3 Ų122.352%0.52266%0.659SS.*Hα-helixtrans-77.4-19.4174.6-81.8-177.2175.1-179.60113.3S151 S158S151-K154 PolarHBondContact O-N 2.7Å; K154-S158 VanDerWaalsContact O-CB 3.29Å; K154-S158 WeakPolarHBondContact O-CB 3.27Å; K154-S158 PolarHBondContact O-N 2.81Å; K154-S158 VanDerWaalsContact O-N 3.13Å
155K54.8Low62.4Low157 Ų157119.2 Ų119.268%0.68364%0.639SS**Hα-helixtrans-67.8-38.4-173.8-75.2-173.1175.7-177.70113.2K159K155-K159 WeakPolarHBondContact O-CB 3.32Å; K155-K159 PolarHBondContact O-N 3.41Å
156E60.9Low64.6Low158 Ų158116.2 Ų116.274%0.73862%0.617SS**Hα-helixtrans-71.7-46.1-179.8-85.1-174.9149.400112.7S158 K159 V160E156-S158 VanDerWaalsContact C-N 3.29Å; E156-S158 PolarHBondContact O-N 3.43Å; E156-K159 PolarHBondContact O-N 2.93Å; E156-K159 VanDerWaalsContact O-N 3.09Å; E156-V160 WeakPolarHBondContact O-CG2 2.92Å; E156-V160 PolarHBondContact O-N 3.45Å
157K60.2Low66.9Low163 Ų163112.5 Ų112.571%0.70960%0.6SS**Hα-helixtrans-58.4-43.2174.9-74.5-172.1176.8-176.70111.5K159 V160 E161K157-K159 VanDerWaalsContact C-N 3.33Å; K157-K159 PolarHBondContact O-N 3.46Å; K157-V160 PolarHBondContact O-N 3.18Å; K157-E161 PolarHBondContact O-N 3.1Å
158S75.2Confident69.3Low71 Ų71106.2 Ų106.250%0.49757%0.573SS.*Hα-helixtrans-59.3-41.1174.4170.10000112.5K154 E156 F162K154-S158 VanDerWaalsContact O-CB 3.29Å; K154-S158 WeakPolarHBondContact O-CB 3.27Å; K154-S158 PolarHBondContact O-N 2.81Å; K154-S158 VanDerWaalsContact O-N 3.13Å; E156-S158 VanDerWaalsContact C-N 3.29Å; E156-S158 PolarHBondContact O-N 3.43Å; S158-F162 VanDerWaalsContact O-CB 3.25Å; S158-F162 WeakPolarHBondContact O-CB 3.39Å; S158-F162 PolarHBondContact O-N 3.05Å
159K81.5Confident72Confident152 Ų152106.4 Ų106.466%0.66156%0.561SS**Hα-helixtrans-67.8-39.9178.8-168.6177.9-179-176.40112.3K155 E156 K157 T163K155-K159 WeakPolarHBondContact O-CB 3.32Å; K155-K159 PolarHBondContact O-N 3.41Å; E156-K159 PolarHBondContact O-N 2.93Å; E156-K159 VanDerWaalsContact O-N 3.09Å; K157-K159 VanDerWaalsContact C-N 3.33Å; K157-K159 PolarHBondContact O-N 3.46Å; K159-T163 WeakPolarHBondContact O-CB 3.36Å; K159-T163 PolarHBondContact O-N 2.77Å; K159-T163 PolarHBondContact O-OG1 2.73Å
160V84.3Confident74.7Confident101 Ų101106 Ų10661%0.61256%0.559SS**Hα-helixtrans-65.6-46.6176.7175.60000110.5E156 K157 F162 T163 R164E156-V160 WeakPolarHBondContact O-CG2 2.92Å; E156-V160 PolarHBondContact O-N 3.45Å; K157-V160 PolarHBondContact O-N 3.18Å; V160-F162 PolarHBondContact O-N 2.99Å; V160-T163 PolarHBondContact O-N 3.14Å; V160-R164 WeakPolarHBondContact O-CB 3.31Å; V160-R164 PolarHBondContact O-N 2.91Å
161E85.1Confident77.3Confident111 Ų111109.3 Ų109.352%0.51956%0.562SS.*Hα-helixtrans-61.6-43.5176.2-76.8179.9166.700112.1L141 K157 T163 R164 A165L141-E161 HydrophobicContact CD1-CB 4.17Å; L141-E161 WeakPolarHBondContact CD1-O 3.37Å; L141-E161 HydrophobicContact CD2-CB 4.13Å; K157-E161 PolarHBondContact O-N 3.1Å; E161-T163 PolarHBondContact O-N 3.07Å; E161-R164 PolarHBondContact O-N 3.19Å; E161-A165 WeakPolarHBondContact O-CB 3.33Å; E161-A165 PolarHBondContact O-N 3.32Å
162F86.9Confident79.8Confident88 Ų88107.3 Ų107.339%0.38654%0.543SS..Hα-helixtrans-60.5-46.9175.5-175.6-90.8000111.4S138 T142 S158 V160 R164 A165 V166S138-F162 VanDerWaalsContact CB-CE2 3.46Å; T142-F162 HydrophobicContact CG2-CE2 4.38Å; S158-F162 VanDerWaalsContact O-CB 3.25Å; S158-F162 WeakPolarHBondContact O-CB 3.39Å; S158-F162 PolarHBondContact O-N 3.05Å; V160-F162 PolarHBondContact O-N 2.99Å; F162-R164 VanDerWaalsContact C-N 3.31Å; F162-R164 PolarHBondContact O-N 3.49Å; F162-A165 PolarHBondContact O-N 3.25Å; F162-V166 HydrophobicContact CD1-CG1 4.39Å; F162-V166 HydrophobicContact CD1-CG2 4.48Å; F162-V166 HydrophobicContact CE1-CG1 3.91Å; F162-V166 HydrophobicContact CE1-CG2 4.32Å; F162-V166 HydrophobicContact CE2-CG1 4.37Å; F162-V166 HydrophobicContact CZ-CG1 3.9Å; F162-V166 WeakPolarHBondContact O-CG2 3.19Å; F162-V166 PolarHBondContact O-N 3.02Å
163T90.4Very high81.9Confident70 Ų70107.9 Ų107.943%0.42954%0.537SS..Hα-helixtrans-59.4-44.8178-56.10000110.5K159 V160 E161 A165 V166 T167K159-T163 WeakPolarHBondContact O-CB 3.36Å; K159-T163 PolarHBondContact O-N 2.77Å; K159-T163 PolarHBondContact O-OG1 2.73Å; V160-T163 PolarHBondContact O-N 3.14Å; E161-T163 PolarHBondContact O-N 3.07Å; T163-A165 PolarHBondContact O-N 3.47Å; T163-V166 WeakPolarHBondContact O-CG2 3.14Å; T163-V166 PolarHBondContact O-N 3.13Å; T163-T167 WeakPolarHBondContact O-CB 3.4Å; T163-T167 PolarHBondContact O-N 3.14Å; T163-T167 PolarHBondContact O-OG1 3.44Å
164R89.6Confident84.2Confident208 Ų208110.4 Ų110.479%0.78555%0.545SS*.Hα-helixtrans-63.1-40.7177-179.4177.7155.5165-5112.1V160 E161 F162 T167V160-R164 WeakPolarHBondContact O-CB 3.31Å; V160-R164 PolarHBondContact O-N 2.91Å; E161-R164 PolarHBondContact O-N 3.19Å; F162-R164 VanDerWaalsContact C-N 3.31Å; F162-R164 PolarHBondContact O-N 3.49Å; R164-T167 PolarHBondContact O-N 3.34Å
165A89.8Confident86.3Confident28 Ų28107.7 Ų107.723%0.23154%0.539CS..Hα-helixtrans-64.8-41.817900000112.4H137 L141 E161 F162 T163H137-A165 VanDerWaalsContact CB-O 3.28Å; H137-A165 WeakPolarHBondContact CB-O 3.32Å; H137-A165 PolarHBondContact ND1-O 3.26Å; L141-A165 HydrophobicContact CD1-CB 3.59Å; E161-A165 WeakPolarHBondContact O-CB 3.33Å; E161-A165 PolarHBondContact O-N 3.32Å; F162-A165 PolarHBondContact O-N 3.25Å; T163-A165 PolarHBondContact O-N 3.47Å
166V93.6Very high88.3Confident34 Ų34105 Ų10521%0.20653%0.53CS..Hα-helixtrans-82.9-13.9-179.8-55.90000113.6F162 T163 V168F162-V166 HydrophobicContact CD1-CG1 4.39Å; F162-V166 HydrophobicContact CD1-CG2 4.48Å; F162-V166 HydrophobicContact CE1-CG1 3.91Å; F162-V166 HydrophobicContact CE1-CG2 4.32Å; F162-V166 HydrophobicContact CE2-CG1 4.37Å; F162-V166 HydrophobicContact CZ-CG1 3.9Å; F162-V166 WeakPolarHBondContact O-CG2 3.19Å; F162-V166 PolarHBondContact O-N 3.02Å; T163-V166 WeakPolarHBondContact O-CG2 3.14Å; T163-V166 PolarHBondContact O-N 3.13Å; V166-V168 PolarHBondContact O-N 2.82Å
167T94Very high89.9Confident92 Ų9299.9 Ų99.956%0.56450%0.504SS*.PPolyproline II helixtrans-71.5120.9175.6-61.50000109.8T163 R164T163-T167 WeakPolarHBondContact O-CB 3.4Å; T163-T167 PolarHBondContact O-N 3.14Å; T163-T167 PolarHBondContact O-OG1 3.44Å; R164-T167 PolarHBondContact O-N 3.34Å
168V94.7Very high91.6Very high29 Ų2994 Ų9418%0.17648%0.478CS..PPolyproline II helixtrans-83.5153.7179.5-640000111.8V166 I172 R173 Y177V166-V168 PolarHBondContact O-N 2.82Å; V168-I172 HydrophobicContact CB-CD1 3.92Å; V168-I172 HydrophobicContact CB-CG1 3.95Å; V168-I172 HydrophobicContact CG1-CD1 4.21Å; V168-I172 HydrophobicContact CG2-CG1 4.47Å; V168-R173 HydrophobicContact CG2-CB 4.21Å; V168-R173 HydrophobicContact CG2-CG 4.48Å; V168-Y177 HydrophobicContact CG1-CE1 3.79Å; V168-Y177 HydrophobicContact CG1-CE2 3.94Å; V168-Y177 VanDerWaalsContact CG1-CZ 3.44Å; V168-Y177 WeakPolarHBondContact CG1-OH 3.47Å
169H96.3Very high92.3Very high121 Ų12194 Ų9456%0.5648%0.476SS*.PPolyproline II helixtrans-63.1145.9173-171.4-81.1000111.1N171 I172 R173H169-N171 VanDerWaalsContact C-N 3.27Å; H169-N171 VanDerWaalsContact CE1-CG 3.42Å; H169-N171 PolarHBondContact CE1-ND2 3.39Å; H169-N171 WeakPolarHBondContact ND1-CB 3.49Å; H169-N171 PolarHBondContact ND1-N 2.89Å; H169-N171 VanDerWaalsContact ND1-N 3.17Å; H169-N171 PolarHBondContact O-N 3.3Å; H169-I172 HydrophobicContact CB-CG1 4.36Å; H169-I172 WeakPolarHBondContact O-CG1 3.42Å; H169-I172 PolarHBondContact O-N 2.7Å; H169-R173 PolarHBondContact O-N 3.4Å
170D96.1Very high92.9Very high117 Ų11791.2 Ų91.263%0.62647%0.467SS*.Hα-helixtrans-56.4-38.5-174.8-71.6-41.4000113.2I172 R173D170-I172 PolarHBondContact O-N 3.07Å; D170-R173 WeakPolarHBondContact O-CB 3.39Å; D170-R173 PolarHBondContact O-N 2.97Å; D170-R173 VanDerWaalsContact O-N 3.09Å
171N96.9Very high93.3Very high131 Ų13190.6 Ų90.670%0.70146%0.459SS*.Hα-helixtrans-56.2-23176-63.9-0.8000115.1H169H169-N171 VanDerWaalsContact C-N 3.27Å; H169-N171 VanDerWaalsContact CE1-CG 3.42Å; H169-N171 PolarHBondContact CE1-ND2 3.39Å; H169-N171 WeakPolarHBondContact ND1-CB 3.49Å; H169-N171 PolarHBondContact ND1-N 2.89Å; H169-N171 VanDerWaalsContact ND1-N 3.17Å; H169-N171 PolarHBondContact O-N 3.3Å
172I96Very high93.8Very high62 Ų6289.5 Ų89.532%0.31846%0.456SS..Hα-helixtrans-114.72.7179.962.5165.9000112.7V168 H169 D170 S174 T175 Y177V168-I172 HydrophobicContact CB-CD1 3.92Å; V168-I172 HydrophobicContact CB-CG1 3.95Å; V168-I172 HydrophobicContact CG1-CD1 4.21Å; V168-I172 HydrophobicContact CG2-CG1 4.47Å; H169-I172 HydrophobicContact CB-CG1 4.36Å; H169-I172 WeakPolarHBondContact O-CG1 3.42Å; H169-I172 PolarHBondContact O-N 2.7Å; D170-I172 PolarHBondContact O-N 3.07Å; I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 3.43Å; I172-T175 PolarHBondContact O-N 3.16Å; I172-T175 PolarHBondContact O-OG1 2.84Å; I172-Y177 HydrophobicContact CD1-CD2 4.18Å; I172-Y177 HydrophobicContact CD1-CG 4.2Å
173R94.6Very high94.2Very high189 Ų18989.6 Ų89.671%0.71346%0.46SS*.Hα-helixtrans-65-34.9-175.4-177.3177.8175.2-179.8-1.6113V168 H169 D170V168-R173 HydrophobicContact CG2-CB 4.21Å; V168-R173 HydrophobicContact CG2-CG 4.48Å; H169-R173 PolarHBondContact O-N 3.4Å; D170-R173 WeakPolarHBondContact O-CB 3.39Å; D170-R173 PolarHBondContact O-N 2.97Å; D170-R173 VanDerWaalsContact O-N 3.09Å
174S95.3Very high94.4Very high117 Ų11790.8 Ų90.882%0.81846%0.462SS*.THydrogen-bonded Turntrans-96.16.5178.355.80000113.3I172I172-S174 VanDerWaalsContact C-N 3.32Å; I172-S174 PolarHBondContact O-N 3.43Å
175T96.7Very high94.8Very high62 Ų6283 Ų8338%0.3844%0.44SS..SBendtrans-101.8157.9-179.475.30000111.1I172 Y177I172-T175 PolarHBondContact O-N 3.16Å; I172-T175 PolarHBondContact O-OG1 2.84Å; T175-Y177 PolarHBondContact O-N 2.85Å
176M95.4Very high95.1Very high102 Ų10286.9 Ų86.950%0.50246%0.455SS..  trans-81.849.6171.8-65.3-178.677.900111.3F126 F178 V179F126-M176 HydrophobicContact CD1-CE 4.03Å; F126-M176 HydrophobicContact CD2-CE 3.95Å; F126-M176 HydrophobicContact CE1-CE 3.7Å; F126-M176 HydrophobicContact CE2-CE 3.6Å; F126-M176 HydrophobicContact CG-CE 4.16Å; F126-M176 HydrophobicContact CZ-CE 3.48Å; F126-M176 VanDerWaalsContact CZ-CE 3.48Å; M176-F178 HydrophobicContact CB-CE2 4.48Å; M176-F178 HydrophobicContact CB-CZ 4.22Å; M176-F178 HydrophobicContact CE-CE2 4.18Å; M176-F178 HydrophobicContact CE-CZ 4.33Å; M176-F178 HydrophobicContact CG-CZ 4.22Å; M176-F178 PolarHBondContact O-N 3.41Å; M176-V179 HydrophobicContact CB-CB 4.3Å; M176-V179 HydrophobicContact CB-CG2 3.74Å; M176-V179 HydrophobicContact CE-CG2 3.47Å; M176-V179 VanDerWaalsContact CE-CG2 3.47Å; M176-V179 WeakPolarHBondContact O-CB 3.35Å; M176-V179 PolarHBondContact O-N 3.37Å; M176-V179 HydrophobicContact SD-CG2 4.41Å
177Y96.1Very high95.2Very high50 Ų5091 Ų9120%0.19647%0.474CS..THydrogen-bonded Turntrans-58.4-20.7-174.882.5-76.4000114.1R133 H137 V168 I172 T175R133-Y177 HydrophobicContact CB-CE2 4.44Å; R133-Y177 HydrophobicContact CG-CD2 4.2Å; R133-Y177 HydrophobicContact CG-CE2 3.47Å; R133-Y177 VanDerWaalsContact CG-CE2 3.47Å; R133-Y177 PolarHBondContact NH1-O 3.28Å; R133-Y177 PolarHBondContact NH2-O 2.74Å; H137-Y177 AromaticContact CE1-CE2 3.99Å; H137-Y177 AromaticContact NE2-CE2 3.93Å; V168-Y177 HydrophobicContact CG1-CE1 3.79Å; V168-Y177 HydrophobicContact CG1-CE2 3.94Å; V168-Y177 VanDerWaalsContact CG1-CZ 3.44Å; V168-Y177 WeakPolarHBondContact CG1-OH 3.47Å; I172-Y177 HydrophobicContact CD1-CD2 4.18Å; I172-Y177 HydrophobicContact CD1-CG 4.2Å; T175-Y177 PolarHBondContact O-N 2.85Å
178F94.3Very high95.3Very high38 Ų3890.9 Ų90.917%0.16747%0.467CS..THydrogen-bonded Turntrans-79.1-17.7178.254.2-100.6000113.9F126 L129 A130 R133 M176F126-F178 HydrophobicContact CB-CE2 3.68Å; F126-F178 HydrophobicContact CB-CZ 4.27Å; F126-F178 AromaticContact CD1-CE2 3.92Å; F126-F178 HydrophobicContact CD1-CE2 3.92Å; F126-F178 AromaticContact CG-CE2 3.95Å; F126-F178 HydrophobicContact CG-CE2 3.95Å; L129-F178 HydrophobicContact CB-CB 4.39Å; L129-F178 HydrophobicContact CB-CD2 4.02Å; A130-F178 HydrophobicContact CB-CB 4.37Å; A130-F178 HydrophobicContact CB-CD1 4.15Å; A130-F178 HydrophobicContact CB-CG 4.14Å; R133-F178 HydrophobicContact CB-CB 4.37Å; R133-F178 PolarHBondContact NH2-O 2.78Å; M176-F178 HydrophobicContact CB-CE2 4.48Å; M176-F178 HydrophobicContact CB-CZ 4.22Å; M176-F178 HydrophobicContact CE-CE2 4.18Å; M176-F178 HydrophobicContact CE-CZ 4.33Å; M176-F178 HydrophobicContact CG-CZ 4.22Å; M176-F178 PolarHBondContact O-N 3.41Å
179V91.8Very high95.4Very high73 Ų7396.5 Ų96.544%0.44249%0.493SS..  trans-66.20173.51730000109.5R113 F126 M176R113-V179 WeakPolarHBondContact CD-O 3.13Å; R113-V179 HydrophobicContact CG-CG1 3.55Å; R113-V179 PolarHBondContact NE-O 3.09Å; R113-V179 PolarHBondContact NH1-O 3.41Å; F126-V179 HydrophobicContact CD1-CG2 4.12Å; F126-V179 HydrophobicContact CE1-CG2 3.93Å; M176-V179 HydrophobicContact CB-CB 4.3Å; M176-V179 HydrophobicContact CB-CG2 3.74Å; M176-V179 HydrophobicContact CE-CG2 3.47Å; M176-V179 VanDerWaalsContact CE-CG2 3.47Å; M176-V179 WeakPolarHBondContact O-CB 3.35Å; M176-V179 PolarHBondContact O-N 3.37Å; M176-V179 HydrophobicContact SD-CG2 4.41Å

Retrieved 179 of 179 residues in 54.1 ms (Link to these results)

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