A0A096LZ89_POEFO Loading...

5'-(N(7)-methylguanosine 5'-triphospho)-[mRNA] hydrolase

AlphaFold DB , UniProt , Accession A0A096LZ89, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 491 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
1M37Very low75.7Confident237 Ų237105.6 Ų105.6100%1.16759%0.587SS**  0132.90-65.9-168.9-73.800107.3
2E46.6Very low77.4Confident176 Ų17699.3 Ų99.382%0.82255%0.551SS**  trans-77.1128.1176.7-65.2170.1130.800109L4E2-L4 PolarHBondContact O-N 3.09Å
3T53Low78.9Confident133 Ų13395.5 Ų95.582%0.81654%0.54SS*.  trans-7788.9178.649.40000109.7T5T3-T5 PolarHBondContact O-N 3.18Å
4L66.6Low80.1Confident103 Ų10392.9 Ų92.954%0.53954%0.536SS..  trans-53.7120.7172.4-66.3172.8000109.5E2E2-L4 PolarHBondContact O-N 3.09Å
5T83.1Confident81.2Confident96 Ų9687.5 Ų87.559%0.58951%0.505SS*.  trans-70.2152.7-177.259.70000110.6T3 G7 H8 M9T3-T5 PolarHBondContact O-N 3.18Å; T5-G7 PolarHBondContact O-N 2.82Å; T5-H8 WeakPolarHBondContact O-CB 3.43Å; T5-H8 PolarHBondContact O-N 2.79Å; T5-H8 PolarHBondContact OG1-N 3.44Å; T5-M9 PolarHBondContact O-N 2.68Å
6A85.2Confident82.2Confident58 Ų5886.7 Ų86.748%0.47950%0.495SS..Hα-helixtrans-54.5-38.9179.300000112.3M9 M10A6-M9 PolarHBondContact O-N 3.39Å; A6-M10 HydrophobicContact CB-CE 4.41Å; A6-M10 VanDerWaalsContact O-CG 3.29Å; A6-M10 WeakPolarHBondContact O-CG 3.3Å; A6-M10 PolarHBondContact O-N 3.12Å
7G87.8Confident83Confident39 Ų3995 Ų9540%0.40252%0.517SS..Hα-helixtrans-61-41.617400000113.7T5 M9 M10 S11T5-G7 PolarHBondContact O-N 2.82Å; G7-M9 VanDerWaalsContact C-N 3.34Å; G7-M9 PolarHBondContact O-N 3.1Å; G7-M10 PolarHBondContact O-N 3.18Å; G7-S11 PolarHBondContact O-N 3.4Å; G7-S11 PolarHBondContact O-OG 2.88Å
8H91.4Very high83.5Confident39 Ų3998.3 Ų98.318%0.18153%0.528CS..Hα-helixtrans-59.9-44176.2-176.1119.3000111.4T5 S11 L12T5-H8 WeakPolarHBondContact O-CB 3.43Å; T5-H8 PolarHBondContact O-N 2.79Å; T5-H8 PolarHBondContact OG1-N 3.44Å; H8-S11 PolarHBondContact O-N 3.45Å; H8-L12 WeakPolarHBondContact O-CB 3.3Å; H8-L12 PolarHBondContact O-N 2.72Å
9M93.3Very high84.2Confident111 Ų11194.9 Ų94.955%0.54751%0.51SS..Hα-helixtrans-65.1-41177.7-64.2-170.6-70.100112T5 A6 G7 A13T5-M9 PolarHBondContact O-N 2.68Å; A6-M9 PolarHBondContact O-N 3.39Å; G7-M9 VanDerWaalsContact C-N 3.34Å; G7-M9 PolarHBondContact O-N 3.1Å; M9-A13 WeakPolarHBondContact O-CB 3.16Å; M9-A13 PolarHBondContact O-N 2.63Å
10M93.8Very high84.9Confident134 Ų13495.4 Ų95.466%0.6652%0.518SS*.Hα-helixtrans-64-44.5176.1-68.3169-174.800112A6 G7 A13 A14A6-M10 HydrophobicContact CB-CE 4.41Å; A6-M10 VanDerWaalsContact O-CG 3.29Å; A6-M10 WeakPolarHBondContact O-CG 3.3Å; A6-M10 PolarHBondContact O-N 3.12Å; G7-M10 PolarHBondContact O-N 3.18Å; M10-A13 PolarHBondContact O-N 2.95Å; M10-A14 WeakPolarHBondContact O-CB 3.49Å; M10-A14 PolarHBondContact O-N 3.33Å
11S95.1Very high85.5Confident36 Ų3696.8 Ų96.825%0.25252%0.517SS..Hα-helixtrans-65.3-42.6176.5-65.60000112.6G7 H8 A14 L15 F54G7-S11 PolarHBondContact O-N 3.4Å; G7-S11 PolarHBondContact O-OG 2.88Å; H8-S11 PolarHBondContact O-N 3.45Å; S11-A14 PolarHBondContact O-N 3.33Å; S11-L15 WeakPolarHBondContact O-CG 3.37Å; S11-L15 PolarHBondContact O-N 3.13Å; S11-F54 VanDerWaalsContact CB-CE1 3.47Å
12L96.5Very high88.4Confident29 Ų2985.8 Ų85.815%0.15246%0.463CS..Hα-helixtrans-61.9-47176.5178.157.4000111H8 A14 L15 Q16 I22 L25H8-L12 WeakPolarHBondContact O-CB 3.3Å; H8-L12 PolarHBondContact O-N 2.72Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 2.89Å; L12-L15 PolarHBondContact O-N 3.03Å; L12-Q16 HydrophobicContact CD1-CG 4.17Å; L12-Q16 WeakPolarHBondContact O-CB 3.36Å; L12-Q16 VanDerWaalsContact O-CG 3.29Å; L12-Q16 WeakPolarHBondContact O-CG 3.29Å; L12-Q16 PolarHBondContact O-N 2.98Å; L12-I22 HydrophobicContact CD1-CG2 3.78Å; L12-L25 HydrophobicContact CB-CD1 4.06Å; L12-L25 HydrophobicContact CB-CD2 4.5Å; L12-L25 HydrophobicContact CB-CG 4.07Å; L12-L25 HydrophobicContact CD1-CD2 3.95Å; L12-L25 HydrophobicContact CD1-CG 4.08Å
13A96.6Very high90.8Very high50 Ų5081.2 Ų81.241%0.41344%0.444SS..Hα-helixtrans-63.8-36176.900000112.7M9 M10 R17M9-A13 WeakPolarHBondContact O-CB 3.16Å; M9-A13 PolarHBondContact O-N 2.63Å; M10-A13 PolarHBondContact O-N 2.95Å; A13-R17 WeakPolarHBondContact O-CG 3.47Å; A13-R17 PolarHBondContact O-N 3.44Å
14A95.1Very high92.9Very high59 Ų5980 Ų8049%0.48843%0.427SS..Hα-helixtrans-65.4-43.7174.800000112M10 S11 L12 R17M10-A14 WeakPolarHBondContact O-CB 3.49Å; M10-A14 PolarHBondContact O-N 3.33Å; S11-A14 PolarHBondContact O-N 3.33Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 2.89Å; A14-R17 WeakPolarHBondContact O-CB 3.39Å; A14-R17 PolarHBondContact O-N 2.92Å
15L96.6Very high94.4Very high13 Ų1375.3 Ų75.37%0.06840%0.402CS..Hα-helixtrans-67.2-39176.4-71.5171000112.2S11 L12 R17 Q18 D19 I22 L25 F54 T67 M69S11-L15 WeakPolarHBondContact O-CG 3.37Å; S11-L15 PolarHBondContact O-N 3.13Å; L12-L15 PolarHBondContact O-N 3.03Å; L15-R17 PolarHBondContact O-N 2.97Å; L15-Q18 PolarHBondContact O-N 3.36Å; L15-D19 PolarHBondContact O-N 3.13Å; L15-I22 HydrophobicContact CB-CD1 4.02Å; L15-L25 HydrophobicContact CD1-CD2 3.63Å; L15-F54 HydrophobicContact CD1-CB 4.07Å; L15-F54 HydrophobicContact CD1-CD1 4.09Å; L15-F54 HydrophobicContact CD1-CD2 4.46Å; L15-F54 HydrophobicContact CD1-CG 3.96Å; L15-T67 HydrophobicContact CD1-CG2 4.46Å; L15-T67 HydrophobicContact CD2-CG2 3.73Å; L15-M69 HydrophobicContact CD2-CG 4.18Å; L15-M69 HydrophobicContact CD2-SD 3.65Å
16Q97.2Very high95.1Very high74 Ų7473.6 Ų73.635%0.34639%0.39SS..Hα-helixtrans-63.3-23.1175.4-77.7174.3-27.400114L12 Q18 D19 I22L12-Q16 HydrophobicContact CD1-CG 4.17Å; L12-Q16 WeakPolarHBondContact O-CB 3.36Å; L12-Q16 VanDerWaalsContact O-CG 3.29Å; L12-Q16 WeakPolarHBondContact O-CG 3.29Å; L12-Q16 PolarHBondContact O-N 2.98Å; Q16-Q18 VanDerWaalsContact C-N 3.26Å; Q16-Q18 PolarHBondContact O-N 3.15Å; Q16-D19 CarbonylContact O-C 3.44Å; Q16-I22 HydrophobicContact CG-CB 4.36Å; Q16-I22 VanDerWaalsContact CG-O 3.31Å; Q16-I22 WeakPolarHBondContact CG-O 3.41Å; Q16-I22 PolarHBondContact NE2-O 3.19Å
17R95.8Very high95.7Very high228 Ų22872.3 Ų72.386%0.8637%0.374SS*.THydrogen-bonded Turntrans-71.8-19.7171.1-72.3178.664.5-163.7-3.1113.3A13 A14 L15A13-R17 WeakPolarHBondContact O-CG 3.47Å; A13-R17 PolarHBondContact O-N 3.44Å; A14-R17 WeakPolarHBondContact O-CB 3.39Å; A14-R17 PolarHBondContact O-N 2.92Å; L15-R17 PolarHBondContact O-N 2.97Å
18Q93.4Very high96.1Very high155 Ų15572.8 Ų72.872%0.72437%0.37SS*.THydrogen-bonded Turntrans-99.7-35.9176.8-176.65782.500112.1L15 Q16L15-Q18 PolarHBondContact O-N 3.36Å; Q16-Q18 VanDerWaalsContact C-N 3.26Å; Q16-Q18 PolarHBondContact O-N 3.15Å
19D96.6Very high96.3Very high33 Ų3371.2 Ų71.218%0.17636%0.363CS..  trans-138.799.1173.6-178.50.6000111L15 Q16 Y21 I22 R58L15-D19 PolarHBondContact O-N 3.13Å; Q16-D19 CarbonylContact O-C 3.44Å; D19-Y21 PolarHBondContact O-N 2.76Å; D19-Y21 WeakPolarHBondContact OD1-CB 3.5Å; D19-Y21 WeakPolarHBondContact OD1-CD2 3.37Å; D19-Y21 PolarHBondContact OD1-N 3.33Å; D19-I22 HydrophobicContact CB-CD1 3.88Å; D19-I22 HydrophobicContact CB-CG1 4Å; D19-I22 PolarHBondContact O-N 2.97Å; D19-I22 VanDerWaalsContact O-N 3.1Å; D19-R58 IonicContact OD1-NE 2.69Å; D19-R58 IonicContact OD1-NH2 3.21Å; D19-R58 PolarHBondContact OD1-NH2 3.24Å; D19-R58 IonicContact OD2-CZ 3.11Å; D19-R58 IonicContact OD2-NE 2.75Å; D19-R58 PolarHBondContact OD2-NE 3.48Å; D19-R58 IonicContact OD2-NH2 2.85Å; D19-R58 PolarHBondContact OD2-NH2 3.35Å
20P97.4Very high96.3Very high104 Ų10468.1 Ų68.168%0.67536%0.359SS*.THydrogen-bonded Turntrans-61-13.3179.5-26.135.9000115.3
21Y98.1Very high96.4Very high126 Ų12665 Ų6549%0.49434%0.343SS..THydrogen-bonded Turntrans-80.3-15.2176.7-62.1-79.2000112.9D19 N23 R58 S59 A60D19-Y21 PolarHBondContact O-N 2.76Å; D19-Y21 WeakPolarHBondContact OD1-CB 3.5Å; D19-Y21 WeakPolarHBondContact OD1-CD2 3.37Å; D19-Y21 PolarHBondContact OD1-N 3.33Å; Y21-N23 PolarHBondContact O-N 2.92Å; Y21-R58 CarbonylContact O-C 3.6Å; Y21-R58 WeakPolarHBondContact O-CA 3.27Å; Y21-S59 PolarHBondContact O-N 3.35Å; Y21-S59 PolarHBondContact O-OG 2.9Å; Y21-A60 HydrophobicContact CD1-CB 3.5Å; Y21-A60 VanDerWaalsContact CD1-CB 3.5Å; Y21-A60 HydrophobicContact CE1-CB 3.91Å; Y21-A60 HydrophobicContact CG-CB 3.97Å
22I98.1Very high96.6Very high6 Ų663.4 Ų63.43%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-63.5120176.2-65.4175.1000109.6L12 L15 Q16 D19 Y56 R58L12-I22 HydrophobicContact CD1-CG2 3.78Å; L15-I22 HydrophobicContact CB-CD1 4.02Å; Q16-I22 HydrophobicContact CG-CB 4.36Å; Q16-I22 VanDerWaalsContact CG-O 3.31Å; Q16-I22 WeakPolarHBondContact CG-O 3.41Å; Q16-I22 PolarHBondContact NE2-O 3.19Å; D19-I22 HydrophobicContact CB-CD1 3.88Å; D19-I22 HydrophobicContact CB-CG1 4Å; D19-I22 PolarHBondContact O-N 2.97Å; D19-I22 VanDerWaalsContact O-N 3.1Å; I22-Y56 HydrophobicContact CD1-CD1 4.28Å; I22-Y56 HydrophobicContact CD1-CD2 4.14Å; I22-Y56 HydrophobicContact CD1-CE1 4.23Å; I22-Y56 HydrophobicContact CD1-CE2 4.11Å; I22-Y56 HydrophobicContact CD1-CG 4.23Å; I22-Y56 HydrophobicContact CG1-CD2 3.95Å; I22-Y56 HydrophobicContact CG1-CE2 4.14Å; I22-Y56 HydrophobicContact CG1-CG 4.36Å; I22-Y56 HydrophobicContact CG2-CD2 4.5Å; I22-Y56 HydrophobicContact CG2-CG 4.28Å; I22-R58 HydrophobicContact CG1-CG 4.09Å
23N96.4Very high96.6Very high80 Ų8062 Ų6243%0.42833%0.325SS..EExtended strand (participates in β ladder)trans-111.1-24-172.863.918000114.3Y21 S57 R58 S59Y21-N23 PolarHBondContact O-N 2.92Å; N23-S57 PolarHBondContact N-O 2.89Å; N23-S57 WeakPolarHBondContact OD1-CB 3.45Å; N23-S57 PolarHBondContact OD1-O 2.92Å; N23-S57 PolarHBondContact OD1-OG 3.18Å; N23-R58 VanDerWaalsContact ND2-C 3.25Å; N23-R58 PolarHBondContact ND2-O 3.33Å; N23-S59 PolarHBondContact ND2-N 3.48Å
24K97.1Very high96.7Very high108 Ų10859.9 Ų59.947%0.4731%0.306SS..EExtended strand (participates in β ladder)trans-159.3141180173.9176.8-179.6-177.80110.6L26 Y56 S57K24-L26 HydrophobicContact CD-CD2 4.2Å; K24-L26 HydrophobicContact CG-CD2 4.32Å; K24-Y56 WeakPolarHBondContact O-CA 3.46Å; K24-Y56 WeakPolarHBondContact O-CB 3.5Å; K24-S57 PolarHBondContact O-N 3.27Å
25L97.6Very high96.9Very high3 Ų358.8 Ų58.82%0.01629%0.29CS..EExtended strand (participates in β ladder)trans-83.7129.2164.1-45.4178.1000108.7L12 L15 V28 F54L12-L25 HydrophobicContact CB-CD1 4.06Å; L12-L25 HydrophobicContact CB-CD2 4.5Å; L12-L25 HydrophobicContact CB-CG 4.07Å; L12-L25 HydrophobicContact CD1-CD2 3.95Å; L12-L25 HydrophobicContact CD1-CG 4.08Å; L15-L25 HydrophobicContact CD1-CD2 3.63Å; L25-V28 HydrophobicContact CD1-CG2 4.34Å; L25-F54 HydrophobicContact CD1-CD1 4.05Å; L25-F54 HydrophobicContact CD1-CE1 4.4Å
26L97.6Very high96.9Very high61 Ų6160.3 Ų60.332%0.31930%0.298SS..EExtended strand (participates in β ladder)trans-89.7-37.3179.1-58.2177.6000111K24 V55 L120 I124K24-L26 HydrophobicContact CD-CD2 4.2Å; K24-L26 HydrophobicContact CG-CD2 4.32Å; L26-V55 HydrophobicContact CB-CG1 4.44Å; L26-V55 HydrophobicContact CD1-CG1 4.45Å; L26-V55 PolarHBondContact N-O 2.7Å; L26-L120 HydrophobicContact CB-CD2 4.15Å; L26-I124 HydrophobicContact CD1-CD1 3.77Å
27D97.5Very high97Very high30 Ų3058.7 Ų58.716%0.1629%0.29CS..EExtended strand (participates in β ladder)trans-160.3159.3177.4-153.2-24.8000111.5V55 R116 I117 L120D27-V55 PolarHBondContact N-O 3Å; D27-V55 PolarHBondContact O-N 3Å; D27-R116 VanDerWaalsContact CG-NE 3.33Å; D27-R116 IonicContact OD1-CZ 2.66Å; D27-R116 IonicContact OD1-NE 3.46Å; D27-R116 PolarHBondContact OD1-NE 3.07Å; D27-R116 VanDerWaalsContact OD1-NE 3.11Å; D27-R116 IonicContact OD1-NH2 3.15Å; D27-R116 PolarHBondContact OD1-NH2 3.14Å; D27-R116 WeakPolarHBondContact OD2-CD 3.37Å; D27-R116 WeakPolarHBondContact OD2-CG 3.27Å; D27-R116 IonicContact OD2-CZ 2.91Å; D27-R116 IonicContact OD2-NE 3.43Å; D27-R116 PolarHBondContact OD2-NE 3.42Å; D27-R116 IonicContact OD2-NH2 2.67Å; D27-I117 HydrophobicContact CB-CD1 3.61Å; D27-L120 HydrophobicContact CB-CD2 3.48Å; D27-L120 VanDerWaalsContact CB-CD2 3.48Å
28V96.9Very high97Very high50 Ų5049.7 Ų49.730%0.30326%0.258SS..EExtended strand (participates in β ladder)trans-143.1138.6-179.9-169.90000109.6L25 T52 L53 F54 R116L25-V28 HydrophobicContact CD1-CG2 4.34Å; V28-T52 HydrophobicContact CG1-CG2 3.95Å; V28-L53 WeakPolarHBondContact CA-O 3.28Å; V28-F54 HydrophobicContact CB-CD1 4.21Å; V28-F54 HydrophobicContact CB-CE1 4.35Å; V28-F54 HydrophobicContact CG1-CD1 3.67Å; V28-F54 HydrophobicContact CG1-CE1 3.47Å; V28-F54 VanDerWaalsContact CG1-CE1 3.47Å; V28-F54 HydrophobicContact CG1-CG 4.34Å; V28-F54 HydrophobicContact CG1-CZ 4.01Å; V28-F54 HydrophobicContact CG2-CD1 3.58Å; V28-F54 HydrophobicContact CG2-CE1 3.88Å; V28-R116 PolarHBondContact O-NH2 2.98Å
29T96.4Very high97Very high5 Ų546.9 Ų46.93%0.03126%0.256CS..EExtended strand (participates in β ladder)trans-127.6155.1179.357.40000112.3T52 L53 F108 D113 I117T29-T52 VanDerWaalsContact O-CG2 3.27Å; T29-T52 WeakPolarHBondContact O-CG2 3.26Å; T29-L53 PolarHBondContact N-O 3.34Å; T29-L53 WeakPolarHBondContact OG1-CB 3.48Å; T29-L53 PolarHBondContact OG1-O 3.18Å; T29-F108 HydrophobicContact CG2-CE1 4.22Å; T29-D113 VanDerWaalsContact CA-OD2 3.28Å; T29-D113 WeakPolarHBondContact CA-OD2 3.41Å; T29-D113 WeakPolarHBondContact CB-OD2 3.42Å; T29-D113 HydrophobicContact CG2-CB 3.54Å; T29-D113 WeakPolarHBondContact CG2-OD2 3.35Å; T29-I117 HydrophobicContact CG2-CD1 3.77Å; T29-I117 HydrophobicContact CG2-CG1 3.29Å
30G93Very high96.9Very high46 Ų4654.4 Ų54.447%0.47429%0.287SS..EExtended strand (participates in β ladder)trans-63.8-78.1-167.100000115.3T52 D113G30-T52 PolarHBondContact O-OG1 3.45Å; G30-D113 PolarHBondContact N-OD2 3.48Å
31Q95.9Very high96.8Very high70 Ų7053.5 Ų53.533%0.32728%0.279SS..EExtended strand (participates in β ladder)trans-132.8128.3-178.9-177.5169.3-9.200110E50 G51 Y109Q31-E50 PolarHBondContact NE2-OE1 3.45Å; Q31-G51 CarbonylContact C-O 3.58Å; Q31-G51 WeakPolarHBondContact CA-O 3.3Å; Q31-Y109 WeakPolarHBondContact O-CB 3.36Å; Q31-Y109 PolarHBondContact O-N 2.86Å
32V98.3Very high96.6Very high1 Ų153.3 Ų53.31%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-133155.2174.4-56.60000110.8E50 G51 L53 I68 I106 W107 F108V32-E50 WeakPolarHBondContact O-CA 3.22Å; V32-E50 WeakPolarHBondContact O-CG 3.34Å; V32-G51 PolarHBondContact N-O 3.41Å; V32-G51 PolarHBondContact O-N 3.37Å; V32-L53 HydrophobicContact CG1-CB 4.26Å; V32-L53 HydrophobicContact CG2-CB 3.77Å; V32-L53 HydrophobicContact CG2-CD1 4.4Å; V32-I68 HydrophobicContact CG2-CB 4.48Å; V32-I68 HydrophobicContact CG2-CD1 3.87Å; V32-I68 HydrophobicContact CG2-CG1 3.94Å; V32-I68 HydrophobicContact CG2-CG2 3.75Å; V32-I106 HydrophobicContact CB-CG2 3.76Å; V32-I106 HydrophobicContact CG1-CG2 4.09Å; V32-I106 HydrophobicContact CG2-CG2 4.05Å; V32-W107 CarbonylContact C-O 3.58Å; V32-W107 WeakPolarHBondContact CA-O 3.43Å; V32-W107 VanDerWaalsContact CB-O 3.27Å; V32-W107 WeakPolarHBondContact CB-O 3.39Å; V32-F108 HydrophobicContact CG1-CB 4.49Å; V32-F108 HydrophobicContact CG1-CD1 3.47Å; V32-F108 VanDerWaalsContact CG1-CD1 3.47Å; V32-F108 HydrophobicContact CG1-CD2 4.44Å; V32-F108 HydrophobicContact CG1-CE1 3.68Å; V32-F108 HydrophobicContact CG1-CG 3.89Å; V32-F108 HydrophobicContact CG1-CZ 4.26Å
33A98.3Very high96.5Very high1 Ų159.3 Ų59.31%0.00832%0.315CS..EExtended strand (participates in β ladder)trans-125.7136.617300000110.5Y35 E50 W107A33-Y35 HydrophobicContact CB-CE2 4.01Å; A33-E50 HydrophobicContact CB-CB 4.48Å; A33-E50 HydrophobicContact CB-CG 3.96Å; A33-W107 HydrophobicContact CB-CE3 4.25Å; A33-W107 PolarHBondContact N-O 2.79Å; A33-W107 PolarHBondContact O-N 3.12Å
34L98.4Very high96.6Very high4 Ų459 Ų592%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-95135.6179.8-177.972.8000111.9T47 I49 I68 L77 Y96 Y104 I106L34-T47 WeakPolarHBondContact CB-OG1 3.4Å; L34-T47 HydrophobicContact CD2-CG2 4.34Å; L34-T47 HydrophobicContact CG-CG2 4.3Å; L34-T47 WeakPolarHBondContact O-CB 3.35Å; L34-T47 PolarHBondContact O-N 3.3Å; L34-T47 PolarHBondContact O-OG1 3.43Å; L34-I49 HydrophobicContact CB-CB 4.17Å; L34-I49 HydrophobicContact CB-CG2 4.42Å; L34-I49 HydrophobicContact CD2-CB 4.21Å; L34-I49 HydrophobicContact CD2-CD1 4.03Å; L34-I49 HydrophobicContact CD2-CG2 4.48Å; L34-I49 PolarHBondContact N-O 3.48Å; L34-I68 HydrophobicContact CB-CD1 4.11Å; L34-I68 HydrophobicContact CD1-CD1 4.4Å; L34-L77 HydrophobicContact CD1-CD2 4.11Å; L34-L77 HydrophobicContact CD2-CB 4.43Å; L34-L77 HydrophobicContact CD2-CD1 4.29Å; L34-L77 HydrophobicContact CD2-CD2 4.02Å; L34-L77 HydrophobicContact CD2-CG 4.48Å; L34-Y96 HydrophobicContact CD1-CE1 4.23Å; L34-Y104 HydrophobicContact CD1-CD1 4.44Å; L34-I106 HydrophobicContact CD1-CG1 4.05Å
35Y98.3Very high96.6Very high37 Ų3757.9 Ų57.915%0.14530%0.304CS..EExtended strand (participates in β ladder)trans-122.3145.1173.6-63.2-104.2000110A33 E45 K46 Y104 S105 W107A33-Y35 HydrophobicContact CB-CE2 4.01Å; Y35-E45 CarbonylContact C-O 3.56Å; Y35-E45 VanDerWaalsContact CA-O 3.28Å; Y35-E45 WeakPolarHBondContact CA-O 3.34Å; Y35-K46 HydrophobicContact CD1-CB 3.85Å; Y35-K46 HydrophobicContact CD1-CG 4.26Å; Y35-K46 HydrophobicContact CE1-CB 3.62Å; Y35-K46 HydrophobicContact CE1-CD 4.34Å; Y35-K46 HydrophobicContact CE1-CG 3.85Å; Y35-Y104 CarbonylContact O-C 3.46Å; Y35-Y104 WeakPolarHBondContact O-CA 3.33Å; Y35-S105 PolarHBondContact N-O 2.85Å; Y35-S105 PolarHBondContact O-N 2.94Å; Y35-W107 HydrophobicContact CD2-CB 4.36Å; Y35-W107 HydrophobicContact CE2-CB 3.83Å
36N97.7Very high96.5Very high44 Ų4463.2 Ų63.224%0.23533%0.327CS..EExtended strand (participates in β ladder)trans-109.2142.2175.4176.853.7000109.6E45 T47 Y104N36-E45 PolarHBondContact N-O 3.08Å; N36-E45 PolarHBondContact ND2-OE2 2.85Å; N36-E45 PolarHBondContact O-N 2.74Å; N36-T47 HydrophobicContact CB-CG2 4.11Å; N36-Y104 HydrophobicContact CB-CD1 4.3Å; N36-Y104 HydrophobicContact CB-CE1 4.31Å; N36-Y104 WeakPolarHBondContact OD1-CE1 3.4Å
37F97.6Very high96.4Very high41 Ų4162 Ų6218%0.1832%0.323CS..EExtended strand (participates in β ladder)trans-96.6111.6173.7-178.2-106.8000110.8S39 N42 E43 W44 I103F37-S39 PolarHBondContact O-N 3.03Å; F37-N42 HydrophobicContact CZ-CB 4.43Å; F37-E43 WeakPolarHBondContact CD2-O 3.47Å; F37-W44 HydrophobicContact CB-CD2 4.22Å; F37-W44 HydrophobicContact CB-CE3 3.85Å; F37-W44 HydrophobicContact CB-CH2 3.91Å; F37-W44 HydrophobicContact CB-CZ2 4.26Å; F37-W44 HydrophobicContact CB-CZ3 3.68Å; F37-W44 AromaticContact CD2-CD2 3.96Å; F37-W44 HydrophobicContact CD2-CD2 3.96Å; F37-W44 AromaticContact CD2-CE2 3.81Å; F37-W44 HydrophobicContact CD2-CE3 4.45Å; F37-W44 HydrophobicContact CD2-CG 4.24Å; F37-W44 HydrophobicContact CD2-CZ2 4.21Å; F37-W44 AromaticContact CD2-NE1 3.95Å; F37-W44 HydrophobicContact CG-CZ2 4.49Å; F37-I103 HydrophobicContact CB-CB 4Å; F37-I103 HydrophobicContact CB-CG2 3.88Å; F37-I103 WeakPolarHBondContact CB-O 3.3Å; F37-I103 HydrophobicContact CD1-CB 4.44Å; F37-I103 HydrophobicContact CD1-CD1 4.44Å; F37-I103 HydrophobicContact CG-CG2 4.43Å; F37-I103 PolarHBondContact N-O 2.81Å
38N95.7Very high96.4Very high38 Ų3868 Ų6820%0.20335%0.35CS..EExtended strand (participates in β ladder)trans-86.597.6178.1-175.6-12.5000110.5K40 V41 N42 E43 E45N38-K40 PolarHBondContact O-N 3.07Å; N38-K40 VanDerWaalsContact O-N 3.09Å; N38-K40 WeakPolarHBondContact OD1-CB 3.21Å; N38-K40 PolarHBondContact OD1-N 3.07Å; N38-V41 HydrophobicContact CB-CG2 3.85Å; N38-V41 PolarHBondContact O-N 3.14Å; N38-N42 WeakPolarHBondContact O-CA 3.16Å; N38-N42 PolarHBondContact O-N 3Å; N38-E43 PolarHBondContact N-O 3.35Å; N38-E43 PolarHBondContact O-N 3.15Å; N38-E45 HydrophobicContact CB-CG 4.24Å; N38-E45 WeakPolarHBondContact CB-OE1 3.45Å; N38-E45 PolarHBondContact ND2-OE1 3.43Å
39S93.6Very high96.4Very high96 Ų9667.1 Ų67.167%0.67134%0.343SS*.THydrogen-bonded Turntrans-62.2-13.6-179.358.70000115.3F37F37-S39 PolarHBondContact O-N 3.03Å
40K94.7Very high96.5Very high192 Ų19268.6 Ų68.684%0.83535%0.349SS*.THydrogen-bonded Turntrans-79.6-33.2177.5-57.8178-178175.30112.7N38N38-K40 PolarHBondContact O-N 3.07Å; N38-K40 VanDerWaalsContact O-N 3.09Å; N38-K40 WeakPolarHBondContact OD1-CB 3.21Å; N38-K40 PolarHBondContact OD1-N 3.07Å
41V95.4Very high96.7Very high84 Ų8466.5 Ų66.551%0.50933%0.327SS..THydrogen-bonded Turntrans-106.4-11.9176.7-640000112.8N38 E43N38-V41 HydrophobicContact CB-CG2 3.85Å; N38-V41 PolarHBondContact O-N 3.14Å; V41-E43 HydrophobicContact CG2-CB 3.96Å; V41-E43 HydrophobicContact CG2-CG 4.26Å
42N94.8Very high96.8Very high123 Ų12364.7 Ų64.766%0.65832%0.321SS*.THydrogen-bonded Turntrans62.240-176.2-16694.5000112.5F37 N38F37-N42 HydrophobicContact CZ-CB 4.43Å; N38-N42 WeakPolarHBondContact O-CA 3.16Å; N38-N42 PolarHBondContact O-N 3Å
43E96.2Very high96.8Very high132 Ų13264.7 Ų64.762%0.61732%0.321SS*.EExtended strand (participates in β ladder)trans-128.8162.9-179.8-61-165140.100112.4F37 N38 V41F37-E43 WeakPolarHBondContact CD2-O 3.47Å; N38-E43 PolarHBondContact N-O 3.35Å; N38-E43 PolarHBondContact O-N 3.15Å; V41-E43 HydrophobicContact CG2-CB 3.96Å; V41-E43 HydrophobicContact CG2-CG 4.26Å
44W97.3Very high96.8Very high74 Ų7465.3 Ų65.328%0.2832%0.324SS..EExtended strand (participates in β ladder)trans-98.1119.7176.2-74.199.9000110.7F37 L95 I103F37-W44 HydrophobicContact CB-CD2 4.22Å; F37-W44 HydrophobicContact CB-CE3 3.85Å; F37-W44 HydrophobicContact CB-CH2 3.91Å; F37-W44 HydrophobicContact CB-CZ2 4.26Å; F37-W44 HydrophobicContact CB-CZ3 3.68Å; F37-W44 AromaticContact CD2-CD2 3.96Å; F37-W44 HydrophobicContact CD2-CD2 3.96Å; F37-W44 AromaticContact CD2-CE2 3.81Å; F37-W44 HydrophobicContact CD2-CE3 4.45Å; F37-W44 HydrophobicContact CD2-CG 4.24Å; F37-W44 HydrophobicContact CD2-CZ2 4.21Å; F37-W44 AromaticContact CD2-NE1 3.95Å; F37-W44 HydrophobicContact CG-CZ2 4.49Å; W44-L95 HydrophobicContact CH2-CD2 4.17Å; W44-L95 HydrophobicContact CH2-CG 4.2Å; W44-L95 HydrophobicContact CZ2-CD2 3.93Å; W44-L95 HydrophobicContact CZ2-CG 4.35Å; W44-I103 HydrophobicContact CH2-CG2 3.89Å
45E96.9Very high96.8Very high84 Ų8465.1 Ų65.139%0.39332%0.323SS..EExtended strand (participates in β ladder)trans-97.6128.5177.9-65.5169.7165.900109.3Y35 N36 N38Y35-E45 CarbonylContact C-O 3.56Å; Y35-E45 VanDerWaalsContact CA-O 3.28Å; Y35-E45 WeakPolarHBondContact CA-O 3.34Å; N36-E45 PolarHBondContact N-O 3.08Å; N36-E45 PolarHBondContact ND2-OE2 2.85Å; N36-E45 PolarHBondContact O-N 2.74Å; N38-E45 HydrophobicContact CB-CG 4.24Å; N38-E45 WeakPolarHBondContact CB-OE1 3.45Å; N38-E45 PolarHBondContact ND2-OE1 3.43Å
46K95.8Very high96.8Very high115 Ų11563.7 Ų63.750%0.532%0.317SS..EExtended strand (participates in β ladder)trans-73.9132.1170-175.1178175.6-178.50109Y35 E50Y35-K46 HydrophobicContact CD1-CB 3.85Å; Y35-K46 HydrophobicContact CD1-CG 4.26Å; Y35-K46 HydrophobicContact CE1-CB 3.62Å; Y35-K46 HydrophobicContact CE1-CD 4.34Å; Y35-K46 HydrophobicContact CE1-CG 3.85Å; K46-E50 IonicContact NZ-OE2 2.67Å; K46-E50 PolarHBondContact NZ-OE2 3.11Å
47T96.8Very high96.8Very high36 Ų3662.5 Ų62.522%0.22131%0.312CS..EExtended strand (participates in β ladder)trans-90.6166.8173.375.40000111.7L34 N36 I49L34-T47 WeakPolarHBondContact CB-OG1 3.4Å; L34-T47 HydrophobicContact CD2-CG2 4.34Å; L34-T47 HydrophobicContact CG-CG2 4.3Å; L34-T47 WeakPolarHBondContact O-CB 3.35Å; L34-T47 PolarHBondContact O-N 3.3Å; L34-T47 PolarHBondContact O-OG1 3.43Å; N36-T47 HydrophobicContact CB-CG2 4.11Å; T47-I49 PolarHBondContact O-N 3.13Å; T47-I49 PolarHBondContact OG1-N 3.4Å
48E96.3Very high96.8Very high156 Ų15662.4 Ų62.473%0.72931%0.311SS*.EExtended strand (participates in β ladder)trans-77.13.6173.3-57.7-170-17800113.6E50 N70E48-E50 PolarHBondContact O-N 3.05Å; E48-N70 PolarHBondContact O-ND2 3.26Å
49I97.9Very high96.9Very high30 Ų3064.5 Ų64.515%0.15433%0.328CS..EExtended strand (participates in β ladder)trans-91.499.8-178.8-57.1179.1000109.7L34 T47 I68 L77L34-I49 HydrophobicContact CB-CB 4.17Å; L34-I49 HydrophobicContact CB-CG2 4.42Å; L34-I49 HydrophobicContact CD2-CB 4.21Å; L34-I49 HydrophobicContact CD2-CD1 4.03Å; L34-I49 HydrophobicContact CD2-CG2 4.48Å; L34-I49 PolarHBondContact N-O 3.48Å; T47-I49 PolarHBondContact O-N 3.13Å; T47-I49 PolarHBondContact OG1-N 3.4Å; I49-I68 HydrophobicContact CG2-CB 3.9Å; I49-I68 HydrophobicContact CG2-CG2 3.81Å; I49-L77 HydrophobicContact CD1-CB 4.15Å; I49-L77 HydrophobicContact CG2-CB 4.15Å
50E97.7Very high96.9Very high37 Ų3761.3 Ų61.317%0.17331%0.308CS..EExtended strand (participates in β ladder)trans-135.2127.7175.7-168.9176142.600110.6Q31 V32 A33 K46 E48 N70 R71 L72Q31-E50 PolarHBondContact NE2-OE1 3.45Å; V32-E50 WeakPolarHBondContact O-CA 3.22Å; V32-E50 WeakPolarHBondContact O-CG 3.34Å; A33-E50 HydrophobicContact CB-CB 4.48Å; A33-E50 HydrophobicContact CB-CG 3.96Å; K46-E50 IonicContact NZ-OE2 2.67Å; K46-E50 PolarHBondContact NZ-OE2 3.11Å; E48-E50 PolarHBondContact O-N 3.05Å; E50-N70 PolarHBondContact O-OD1 3.18Å; E50-N70 VanDerWaalsContact O-OD1 3.06Å; E50-R71 PolarHBondContact O-N 2.98Å; E50-L72 HydrophobicContact CB-CD1 4Å
51G97.3Very high96.7Very high1 Ų156.2 Ų56.21%0.0130%0.297CS..EExtended strand (participates in β ladder)trans168.7-146.9-17300000115.3Q31 V32 M69Q31-G51 CarbonylContact C-O 3.58Å; Q31-G51 WeakPolarHBondContact CA-O 3.3Å; V32-G51 PolarHBondContact N-O 3.41Å; V32-G51 PolarHBondContact O-N 3.37Å; G51-M69 WeakPolarHBondContact CA-O 3.49Å
52T97.3Very high96.7Very high33 Ų3353.9 Ų53.920%0.20228%0.283CS..EExtended strand (participates in β ladder)trans-104.8122.5-169.9-63.80000109.7V28 T29 G30 F54 M69V28-T52 HydrophobicContact CG1-CG2 3.95Å; T29-T52 VanDerWaalsContact O-CG2 3.27Å; T29-T52 WeakPolarHBondContact O-CG2 3.26Å; G30-T52 PolarHBondContact O-OG1 3.45Å; T52-F54 HydrophobicContact CG2-CD2 4.21Å; T52-F54 HydrophobicContact CG2-CE1 4.44Å; T52-F54 HydrophobicContact CG2-CE2 3.44Å; T52-F54 VanDerWaalsContact CG2-CE2 3.44Å; T52-F54 HydrophobicContact CG2-CZ 3.58Å; T52-F54 WeakPolarHBondContact O-CD2 3.45Å; T52-M69 PolarHBondContact N-O 3.36Å; T52-M69 PolarHBondContact O-N 3.3Å
53L98.4Very high96.7Very high0 Ų049.9 Ų49.90%026%0.26CS..EExtended strand (participates in β ladder)trans-91.7128.9-179-179.4159.9000111.2V28 T29 V32 V55 F66 T67 I68 I106 F108 I117 M121V28-L53 WeakPolarHBondContact CA-O 3.28Å; T29-L53 PolarHBondContact N-O 3.34Å; T29-L53 WeakPolarHBondContact OG1-CB 3.48Å; T29-L53 PolarHBondContact OG1-O 3.18Å; V32-L53 HydrophobicContact CG1-CB 4.26Å; V32-L53 HydrophobicContact CG2-CB 3.77Å; V32-L53 HydrophobicContact CG2-CD1 4.4Å; L53-V55 HydrophobicContact CD2-CG2 3.71Å; L53-F66 HydrophobicContact CD1-CD2 4.13Å; L53-F66 HydrophobicContact CG-CD2 4.41Å; L53-T67 CarbonylContact C-O 3.57Å; L53-T67 VanDerWaalsContact CA-O 3.29Å; L53-T67 WeakPolarHBondContact CA-O 3.31Å; L53-I68 HydrophobicContact CB-CG1 4.17Å; L53-I68 HydrophobicContact CD1-CD1 4.49Å; L53-I68 HydrophobicContact CD1-CG1 4.05Å; L53-I68 HydrophobicContact CG-CG1 4.25Å; L53-I106 HydrophobicContact CD1-CD1 3.9Å; L53-I106 HydrophobicContact CD1-CG2 4.09Å; L53-F108 HydrophobicContact CD1-CZ 4.32Å; L53-I117 HydrophobicContact CD2-CD1 4.38Å; L53-I117 HydrophobicContact CD2-CG1 4.39Å; L53-I117 HydrophobicContact CD2-CG2 4.15Å; L53-M121 HydrophobicContact CD1-CE 4.39Å; L53-M121 HydrophobicContact CD2-CE 4.24Å
54F98.3Very high96.8Very high14 Ų1445.3 Ų45.36%0.06124%0.239CC..EExtended strand (participates in β ladder)trans-116.8131.9175.6-61.4-96.7000109.6S11 L15 L25 V28 T52 F66 T67 M69S11-F54 VanDerWaalsContact CB-CE1 3.47Å; L15-F54 HydrophobicContact CD1-CB 4.07Å; L15-F54 HydrophobicContact CD1-CD1 4.09Å; L15-F54 HydrophobicContact CD1-CD2 4.46Å; L15-F54 HydrophobicContact CD1-CG 3.96Å; L25-F54 HydrophobicContact CD1-CD1 4.05Å; L25-F54 HydrophobicContact CD1-CE1 4.4Å; V28-F54 HydrophobicContact CB-CD1 4.21Å; V28-F54 HydrophobicContact CB-CE1 4.35Å; V28-F54 HydrophobicContact CG1-CD1 3.67Å; V28-F54 HydrophobicContact CG1-CE1 3.47Å; V28-F54 VanDerWaalsContact CG1-CE1 3.47Å; V28-F54 HydrophobicContact CG1-CG 4.34Å; V28-F54 HydrophobicContact CG1-CZ 4.01Å; V28-F54 HydrophobicContact CG2-CD1 3.58Å; V28-F54 HydrophobicContact CG2-CE1 3.88Å; T52-F54 HydrophobicContact CG2-CD2 4.21Å; T52-F54 HydrophobicContact CG2-CE1 4.44Å; T52-F54 HydrophobicContact CG2-CE2 3.44Å; T52-F54 VanDerWaalsContact CG2-CE2 3.44Å; T52-F54 HydrophobicContact CG2-CZ 3.58Å; T52-F54 WeakPolarHBondContact O-CD2 3.45Å; F54-F66 CarbonylContact O-C 3.24Å; F54-F66 WeakPolarHBondContact O-CA 3.24Å; F54-F66 WeakPolarHBondContact O-CB 3.39Å; F54-T67 HydrophobicContact CB-CG2 3.97Å; F54-T67 HydrophobicContact CD2-CG2 4.3Å; F54-T67 PolarHBondContact N-O 3.12Å; F54-T67 PolarHBondContact O-N 3.47Å; F54-M69 HydrophobicContact CD2-CB 4.32Å; F54-M69 HydrophobicContact CD2-CG 3.72Å; F54-M69 HydrophobicContact CE2-CB 3.96Å; F54-M69 HydrophobicContact CE2-CG 3.63Å
55V98.4Very high96.8Very high0 Ų041.8 Ų41.80%023%0.226CC..EExtended strand (participates in β ladder)trans-106.7133.9168.1-1750000108.2L26 D27 L53 F66 I81 I117 L120 M121 I124L26-V55 HydrophobicContact CB-CG1 4.44Å; L26-V55 HydrophobicContact CD1-CG1 4.45Å; L26-V55 PolarHBondContact N-O 2.7Å; D27-V55 PolarHBondContact N-O 3Å; D27-V55 PolarHBondContact O-N 3Å; L53-V55 HydrophobicContact CD2-CG2 3.71Å; V55-F66 HydrophobicContact CG2-CB 4.11Å; V55-I81 HydrophobicContact CG1-CD1 4.11Å; V55-I117 HydrophobicContact CG2-CD1 3.91Å; V55-I117 HydrophobicContact CG2-CG2 4.28Å; V55-L120 HydrophobicContact CB-CD2 4.12Å; V55-L120 HydrophobicContact CG1-CD2 4Å; V55-L120 HydrophobicContact CG1-CG 4.45Å; V55-L120 HydrophobicContact CG2-CD2 4.47Å; V55-M121 HydrophobicContact CG2-CE 3.73Å; V55-I124 HydrophobicContact CG1-CD1 3.79Å
56Y98.3Very high96.9Very high8 Ų837.8 Ų37.83%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-142.4160.2-171.353.9-105.3000113.3I22 K24 R58 H64 G65 T67I22-Y56 HydrophobicContact CD1-CD1 4.28Å; I22-Y56 HydrophobicContact CD1-CD2 4.14Å; I22-Y56 HydrophobicContact CD1-CE1 4.23Å; I22-Y56 HydrophobicContact CD1-CE2 4.11Å; I22-Y56 HydrophobicContact CD1-CG 4.23Å; I22-Y56 HydrophobicContact CG1-CD2 3.95Å; I22-Y56 HydrophobicContact CG1-CE2 4.14Å; I22-Y56 HydrophobicContact CG1-CG 4.36Å; I22-Y56 HydrophobicContact CG2-CD2 4.5Å; I22-Y56 HydrophobicContact CG2-CG 4.28Å; K24-Y56 WeakPolarHBondContact O-CA 3.46Å; K24-Y56 WeakPolarHBondContact O-CB 3.5Å; Y56-R58 HydrophobicContact CD2-CG 3.96Å; Y56-R58 HydrophobicContact CE2-CG 4.05Å; Y56-H64 WeakPolarHBondContact O-CA 3.4Å; Y56-G65 VanDerWaalsContact CE2-CA 3.47Å; Y56-G65 PolarHBondContact N-O 3.04Å; Y56-G65 PolarHBondContact O-N 3.04Å; Y56-G65 VanDerWaalsContact O-N 3.14Å; Y56-T67 HydrophobicContact CD1-CG2 4.35Å; Y56-T67 HydrophobicContact CE1-CG2 3.79Å
57S97.9Very high97Very high18 Ų1832.5 Ų32.513%0.12618%0.184CC..EExtended strand (participates in β ladder)trans-106.3157.3166.756.80000111.6N23 K24 H63N23-S57 PolarHBondContact N-O 2.89Å; N23-S57 WeakPolarHBondContact OD1-CB 3.45Å; N23-S57 PolarHBondContact OD1-O 2.92Å; N23-S57 PolarHBondContact OD1-OG 3.18Å; K24-S57 PolarHBondContact O-N 3.27Å; S57-H63 CarbonylContact C-O 3.52Å; S57-H63 VanDerWaalsContact CA-O 3.27Å; S57-H63 WeakPolarHBondContact CA-O 3.32Å
58R97.6Very high97.1Very high39 Ų3930.8 Ų30.815%0.14717%0.174CC..EExtended strand (participates in β ladder)trans-130153.8-175.7-58.8174.871.9-117.29.1110.7D19 Y21 I22 N23 Y56 A60 S61 P62 H63D19-R58 IonicContact OD1-NE 2.69Å; D19-R58 IonicContact OD1-NH2 3.21Å; D19-R58 PolarHBondContact OD1-NH2 3.24Å; D19-R58 IonicContact OD2-CZ 3.11Å; D19-R58 IonicContact OD2-NE 2.75Å; D19-R58 PolarHBondContact OD2-NE 3.48Å; D19-R58 IonicContact OD2-NH2 2.85Å; D19-R58 PolarHBondContact OD2-NH2 3.35Å; Y21-R58 CarbonylContact O-C 3.6Å; Y21-R58 WeakPolarHBondContact O-CA 3.27Å; I22-R58 HydrophobicContact CG1-CG 4.09Å; N23-R58 VanDerWaalsContact ND2-C 3.25Å; N23-R58 PolarHBondContact ND2-O 3.33Å; Y56-R58 HydrophobicContact CD2-CG 3.96Å; Y56-R58 HydrophobicContact CE2-CG 4.05Å; R58-A60 PolarHBondContact NH1-O 2.97Å; R58-A60 VanDerWaalsContact NH1-O 3.08Å; R58-S61 PolarHBondContact NH1-O 2.99Å; R58-P62 WeakPolarHBondContact CD-O 3.41Å; R58-P62 PolarHBondContact NH1-O 2.94Å; R58-H63 PolarHBondContact N-O 3.41Å
59S97.1Very high97.1Very high82 Ų8226.3 Ų26.357%0.57315%0.154SC*.SBendtrans-81.7-12.8176.3540000113.9Y21 N23Y21-S59 PolarHBondContact O-N 3.35Å; Y21-S59 PolarHBondContact O-OG 2.9Å; N23-S59 PolarHBondContact ND2-N 3.48Å
60A93.9Very high97Very high30 Ų3025.7 Ų25.725%0.24815%0.151CC..SBendtrans-126.6157.5177.300000110.8Y21 R58 P62 H63Y21-A60 HydrophobicContact CD1-CB 3.5Å; Y21-A60 VanDerWaalsContact CD1-CB 3.5Å; Y21-A60 HydrophobicContact CE1-CB 3.91Å; Y21-A60 HydrophobicContact CG-CB 3.97Å; R58-A60 PolarHBondContact NH1-O 2.97Å; R58-A60 VanDerWaalsContact NH1-O 3.08Å; A60-P62 CarbonylContact O-C 3.54Å; A60-H63 WeakPolarHBondContact O-CA 3.38Å
61S92.1Very high96.9Very high85 Ų8532.1 Ų32.159%0.59417%0.173SC*.SBendtrans-62.5145.7175.6-168.90000111.4R58R58-S61 PolarHBondContact NH1-O 2.99Å
62P93.8Very high96.5Very high35 Ų3538 Ų3823%0.22720%0.204CC..SBendcis-61.3133.1-18.327-33.4000110.1R58 A60 H64 P80R58-P62 WeakPolarHBondContact CD-O 3.41Å; R58-P62 PolarHBondContact NH1-O 2.94Å; A60-P62 CarbonylContact O-C 3.54Å; P62-H64 PolarHBondContact O-N 2.96Å; P62-P80 HydrophobicContact CB-CB 4.26Å; P62-P80 HydrophobicContact CG-CB 3.79Å; P62-P80 HydrophobicContact CG-CG 4.27Å
63H96.4Very high96.3Very high39 Ų3938.6 Ų38.618%0.18121%0.209CC..  trans-78.5-1.6-169.2-31.383.4000112.8S57 R58 A60 E128 H131S57-H63 CarbonylContact C-O 3.52Å; S57-H63 VanDerWaalsContact CA-O 3.27Å; S57-H63 WeakPolarHBondContact CA-O 3.32Å; R58-H63 PolarHBondContact N-O 3.41Å; A60-H63 WeakPolarHBondContact O-CA 3.38Å; H63-E128 VanDerWaalsContact CB-OE1 3.29Å; H63-E128 WeakPolarHBondContact CB-OE1 3.49Å; H63-E128 IonicContact CE1-OE1 3.36Å; H63-E128 IonicContact CE1-OE2 3.97Å; H63-E128 IonicContact CG-OE1 3.77Å; H63-E128 PolarHBondContact N-OE1 3.38Å; H63-E128 IonicContact ND1-OE1 3.3Å; H63-E128 PolarHBondContact ND1-OE1 2.86Å; H63-E128 IonicContact ND1-OE2 2.79Å; H63-E128 PolarHBondContact ND1-OE2 3.12Å; H63-E128 VanDerWaalsContact ND1-OE2 3.12Å; H63-H131 AromaticContact CE1-CE1 3.29Å; H63-H131 PolarHBondContact CE1-CE1 3.42Å; H63-H131 AromaticContact CE1-ND1 3.69Å; H63-H131 AromaticContact ND1-CE1 3.67Å; H63-H131 AromaticContact ND1-ND1 3.78Å; H63-H131 AromaticContact NE2-CE1 3.78Å
64H97.8Very high96Very high35 Ų3544.9 Ų44.916%0.16225%0.248CC..EExtended strand (participates in β ladder)trans-141.9151.1-179.6-62.692.1000111.3Y56 P62 I81 I124 E128Y56-H64 WeakPolarHBondContact O-CA 3.4Å; P62-H64 PolarHBondContact O-N 2.96Å; H64-I81 HydrophobicContact CB-CB 4.05Å; H64-I81 PolarHBondContact O-N 3.22Å; H64-I124 HydrophobicContact CB-CG2 3.41Å; H64-I124 VanDerWaalsContact CB-CG2 3.41Å; H64-E128 IonicContact CE1-OE1 3.34Å; H64-E128 IonicContact CG-OE1 2.74Å; H64-E128 IonicContact ND1-OE1 3.68Å; H64-E128 PolarHBondContact ND1-OE1 3.29Å
65G97.7Very high95.8Very high1 Ų151 Ų511%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-163.8172.4176.500000111.6Y56 E79Y56-G65 VanDerWaalsContact CE2-CA 3.47Å; Y56-G65 PolarHBondContact N-O 3.04Å; Y56-G65 PolarHBondContact O-N 3.04Å; Y56-G65 VanDerWaalsContact O-N 3.14Å; G65-E79 WeakPolarHBondContact CA-O 3.29Å
66F98.3Very high95.7Very high0 Ų053.6 Ų53.60%029%0.291CS..EExtended strand (participates in β ladder)trans-134.5157164.770.3-87000111.1L53 F54 V55 L77 E79 I81 L85 F87 Y96 I106 M121L53-F66 HydrophobicContact CD1-CD2 4.13Å; L53-F66 HydrophobicContact CG-CD2 4.41Å; F54-F66 CarbonylContact O-C 3.24Å; F54-F66 WeakPolarHBondContact O-CA 3.24Å; F54-F66 WeakPolarHBondContact O-CB 3.39Å; V55-F66 HydrophobicContact CG2-CB 4.11Å; F66-L77 HydrophobicContact CD2-CD2 4.48Å; F66-L77 HydrophobicContact CE2-CD2 3.7Å; F66-L77 HydrophobicContact CZ-CD2 4.4Å; F66-E79 HydrophobicContact CD1-CB 4.05Å; F66-E79 HydrophobicContact CD1-CG 4.5Å; F66-E79 HydrophobicContact CD2-CB 4.48Å; F66-E79 HydrophobicContact CE1-CB 3.58Å; F66-E79 HydrophobicContact CE1-CG 3.67Å; F66-E79 HydrophobicContact CE2-CB 4.04Å; F66-E79 HydrophobicContact CG-CB 4.49Å; F66-E79 HydrophobicContact CZ-CB 3.57Å; F66-E79 HydrophobicContact CZ-CG 3.78Å; F66-E79 PolarHBondContact N-O 2.8Å; F66-E79 PolarHBondContact O-N 2.85Å; F66-I81 HydrophobicContact CD1-CD1 4.12Å; F66-I81 HydrophobicContact CD1-CG1 3.86Å; F66-I81 HydrophobicContact CE1-CG1 4.49Å; F66-L85 HydrophobicContact CE1-CD2 4.36Å; F66-F87 HydrophobicContact CE1-CZ 4.19Å; F66-Y96 HydrophobicContact CE2-CE1 4.45Å; F66-Y96 HydrophobicContact CZ-CD1 4.33Å; F66-Y96 AromaticContact CZ-CE1 3.9Å; F66-Y96 HydrophobicContact CZ-CE1 3.9Å; F66-Y96 HydrophobicContact CZ-CE2 4.32Å; F66-Y96 AromaticContact CZ-CZ 3.89Å; F66-I106 HydrophobicContact CE2-CD1 3.64Å; F66-I106 HydrophobicContact CZ-CD1 4.06Å; F66-M121 HydrophobicContact CB-CE 3.65Å; F66-M121 HydrophobicContact CD1-CE 3.47Å; F66-M121 VanDerWaalsContact CD1-CE 3.47Å; F66-M121 HydrophobicContact CD1-SD 4.44Å; F66-M121 HydrophobicContact CD2-CE 3.79Å; F66-M121 HydrophobicContact CE1-CE 3.96Å; F66-M121 HydrophobicContact CE2-CE 4.26Å; F66-M121 HydrophobicContact CG-CE 3.36Å; F66-M121 HydrophobicContact CZ-CE 4.33Å
67T98.2Very high95.7Very high3 Ų354.2 Ų54.22%0.01829%0.294CS..EExtended strand (participates in β ladder)trans-135.5144174.2-179.50000110.2L15 L53 F54 Y56 M69 L77L15-T67 HydrophobicContact CD1-CG2 4.46Å; L15-T67 HydrophobicContact CD2-CG2 3.73Å; L53-T67 CarbonylContact C-O 3.57Å; L53-T67 VanDerWaalsContact CA-O 3.29Å; L53-T67 WeakPolarHBondContact CA-O 3.31Å; F54-T67 HydrophobicContact CB-CG2 3.97Å; F54-T67 HydrophobicContact CD2-CG2 4.3Å; F54-T67 PolarHBondContact N-O 3.12Å; F54-T67 PolarHBondContact O-N 3.47Å; Y56-T67 HydrophobicContact CD1-CG2 4.35Å; Y56-T67 HydrophobicContact CE1-CG2 3.79Å; T67-M69 HydrophobicContact CG2-CG 4.18Å; T67-M69 HydrophobicContact CG2-SD 4.29Å; T67-L77 CarbonylContact C-O 3.51Å; T67-L77 WeakPolarHBondContact CA-O 3.39Å; T67-L77 VanDerWaalsContact CB-O 3.23Å; T67-L77 WeakPolarHBondContact CB-O 3.45Å; T67-L77 PolarHBondContact OG1-O 3.3Å
68I98.3Very high95.6Very high0 Ų057.5 Ų57.50%031%0.314CS..EExtended strand (participates in β ladder)trans-102.1104.4163-56.2172.5000105.9V32 L34 I49 L53 N70 N76 L77 I106V32-I68 HydrophobicContact CG2-CB 4.48Å; V32-I68 HydrophobicContact CG2-CD1 3.87Å; V32-I68 HydrophobicContact CG2-CG1 3.94Å; V32-I68 HydrophobicContact CG2-CG2 3.75Å; L34-I68 HydrophobicContact CB-CD1 4.11Å; L34-I68 HydrophobicContact CD1-CD1 4.4Å; I49-I68 HydrophobicContact CG2-CB 3.9Å; I49-I68 HydrophobicContact CG2-CG2 3.81Å; L53-I68 HydrophobicContact CB-CG1 4.17Å; L53-I68 HydrophobicContact CD1-CD1 4.49Å; L53-I68 HydrophobicContact CD1-CG1 4.05Å; L53-I68 HydrophobicContact CG-CG1 4.25Å; I68-N70 PolarHBondContact O-N 3.45Å; I68-N76 WeakPolarHBondContact O-CA 3.29Å; I68-N76 WeakPolarHBondContact O-CB 3.45Å; I68-L77 HydrophobicContact CB-CB 4.1Å; I68-L77 HydrophobicContact CD1-CB 4.48Å; I68-L77 HydrophobicContact CD1-CD2 3.77Å; I68-L77 HydrophobicContact CG1-CB 4.34Å; I68-L77 HydrophobicContact CG1-CD2 4.09Å; I68-L77 PolarHBondContact N-O 2.89Å; I68-L77 VanDerWaalsContact N-O 3.08Å; I68-L77 PolarHBondContact O-N 3.06Å; I68-I106 HydrophobicContact CD1-CD1 4.48Å; I68-I106 HydrophobicContact CD1-CG1 4.45Å; I68-I106 HydrophobicContact CD1-CG2 4.34Å
69M96.4Very high95.6Very high63 Ų6356.6 Ų56.631%0.3131%0.311SS..EExtended strand (participates in β ladder)trans-72.6107.7173.3-69-60.6-58.100108.1L15 G51 T52 F54 T67 N76L15-M69 HydrophobicContact CD2-CG 4.18Å; L15-M69 HydrophobicContact CD2-SD 3.65Å; G51-M69 WeakPolarHBondContact CA-O 3.49Å; T52-M69 PolarHBondContact N-O 3.36Å; T52-M69 PolarHBondContact O-N 3.3Å; F54-M69 HydrophobicContact CD2-CB 4.32Å; F54-M69 HydrophobicContact CD2-CG 3.72Å; F54-M69 HydrophobicContact CE2-CB 3.96Å; F54-M69 HydrophobicContact CE2-CG 3.63Å; T67-M69 HydrophobicContact CG2-CG 4.18Å; T67-M69 HydrophobicContact CG2-SD 4.29Å; M69-N76 WeakPolarHBondContact CA-OD1 3.48Å; M69-N76 HydrophobicContact SD-CB 4.39Å
70N96.7Very high95.6Very high17 Ų1755.1 Ų55.19%0.09130%0.299CS..EExtended strand (participates in β ladder)trans-69144.5-174.4-166.5-12.4000110.5E48 E50 I68 L72 S73 E75 N76E48-N70 PolarHBondContact O-ND2 3.26Å; E50-N70 PolarHBondContact O-OD1 3.18Å; E50-N70 VanDerWaalsContact O-OD1 3.06Å; I68-N70 PolarHBondContact O-N 3.45Å; N70-L72 PolarHBondContact OD1-N 3.19Å; N70-S73 PolarHBondContact ND2-OG 3.31Å; N70-S73 VanDerWaalsContact ND2-OG 3.15Å; N70-E75 WeakPolarHBondContact CB-O 3.5Å; N70-E75 PolarHBondContact ND2-O 3.48Å; N70-N76 PolarHBondContact N-OD1 3.24Å
71R94.2Very high95.7Very high172 Ų17253.7 Ų53.765%0.64929%0.287SS*.SBendtrans-110.3-5.8179.5-61.8178.270.2-162.40.1112.7E50E50-R71 PolarHBondContact O-N 2.98Å
72L89.4Confident95.8Very high125 Ų12552.8 Ų52.865%0.65428%0.276SS*.SBendtrans-103.6-36.5-179.2-55.2-179.2000112.4E50 N70E50-L72 HydrophobicContact CB-CD1 4Å; N70-L72 PolarHBondContact OD1-N 3.19Å
73S92.7Very high95.6Very high44 Ų4456.4 Ų56.431%0.30829%0.288SS..SBendtrans-137.6178.8176.384.40000111.6N70 E75N70-S73 PolarHBondContact ND2-OG 3.31Å; N70-S73 VanDerWaalsContact ND2-OG 3.15Å; S73-E75 VanDerWaalsContact C-N 3.27Å; S73-E75 PolarHBondContact OG-N 2.91Å; S73-E75 VanDerWaalsContact OG-N 3.11Å
74T91.8Very high95.3Very high133 Ų13359 Ų5982%0.81630%0.303SS*.SBendtrans-79.5-5173.247.40000113.8N76T74-N76 PolarHBondContact O-N 2.66Å; T74-N76 PolarHBondContact O-ND2 3.15Å; T74-N76 VanDerWaalsContact O-ND2 3.16Å
75E95.6Very high95.1Very high142 Ų14257.7 Ų57.766%0.66430%0.297SS*.  trans-88.1109.5-176.6-61.9-171.4-177.300110.6N70 S73N70-E75 WeakPolarHBondContact CB-O 3.5Å; N70-E75 PolarHBondContact ND2-O 3.48Å; S73-E75 VanDerWaalsContact C-N 3.27Å; S73-E75 PolarHBondContact OG-N 2.91Å; S73-E75 VanDerWaalsContact OG-N 3.11Å
76N96.6Very high95Very high55 Ų5562 Ų6229%0.29432%0.317SS..  trans-102.5143.6-177.7-52.6-68.9000110.2I68 M69 N70 T74I68-N76 WeakPolarHBondContact O-CA 3.29Å; I68-N76 WeakPolarHBondContact O-CB 3.45Å; M69-N76 WeakPolarHBondContact CA-OD1 3.48Å; M69-N76 HydrophobicContact SD-CB 4.39Å; N70-N76 PolarHBondContact N-OD1 3.24Å; T74-N76 PolarHBondContact O-N 2.66Å; T74-N76 PolarHBondContact O-ND2 3.15Å; T74-N76 VanDerWaalsContact O-ND2 3.16Å
77L97.1Very high94.9Very high21 Ų2163.6 Ų63.611%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-70.9135164.2176.668.1000108.5L34 I49 F66 T67 I68 E79L34-L77 HydrophobicContact CD1-CD2 4.11Å; L34-L77 HydrophobicContact CD2-CB 4.43Å; L34-L77 HydrophobicContact CD2-CD1 4.29Å; L34-L77 HydrophobicContact CD2-CD2 4.02Å; L34-L77 HydrophobicContact CD2-CG 4.48Å; I49-L77 HydrophobicContact CD1-CB 4.15Å; I49-L77 HydrophobicContact CG2-CB 4.15Å; F66-L77 HydrophobicContact CD2-CD2 4.48Å; F66-L77 HydrophobicContact CE2-CD2 3.7Å; F66-L77 HydrophobicContact CZ-CD2 4.4Å; T67-L77 CarbonylContact C-O 3.51Å; T67-L77 WeakPolarHBondContact CA-O 3.39Å; T67-L77 VanDerWaalsContact CB-O 3.23Å; T67-L77 WeakPolarHBondContact CB-O 3.45Å; T67-L77 PolarHBondContact OG1-O 3.3Å; I68-L77 HydrophobicContact CB-CB 4.1Å; I68-L77 HydrophobicContact CD1-CB 4.48Å; I68-L77 HydrophobicContact CD1-CD2 3.77Å; I68-L77 HydrophobicContact CG1-CB 4.34Å; I68-L77 HydrophobicContact CG1-CD2 4.09Å; I68-L77 PolarHBondContact N-O 2.89Å; I68-L77 VanDerWaalsContact N-O 3.08Å; I68-L77 PolarHBondContact O-N 3.06Å; L77-E79 HydrophobicContact CG-CB 4.48Å
78V97.2Very high94.8Very high87 Ų8768.5 Ų68.553%0.52735%0.347SS..EExtended strand (participates in β ladder)trans-133.6110.4168.4-179.40000107.8
79E97.4Very high94.8Very high20 Ų2071.6 Ų71.69%0.09336%0.363CS..EExtended strand (participates in β ladder)trans-122.8116.7-173.6-168.984.2-127.800110.2G65 F66 L77 L85 Y96 N98G65-E79 WeakPolarHBondContact CA-O 3.29Å; F66-E79 HydrophobicContact CD1-CB 4.05Å; F66-E79 HydrophobicContact CD1-CG 4.5Å; F66-E79 HydrophobicContact CD2-CB 4.48Å; F66-E79 HydrophobicContact CE1-CB 3.58Å; F66-E79 HydrophobicContact CE1-CG 3.67Å; F66-E79 HydrophobicContact CE2-CB 4.04Å; F66-E79 HydrophobicContact CG-CB 4.49Å; F66-E79 HydrophobicContact CZ-CB 3.57Å; F66-E79 HydrophobicContact CZ-CG 3.78Å; F66-E79 PolarHBondContact N-O 2.8Å; F66-E79 PolarHBondContact O-N 2.85Å; L77-E79 HydrophobicContact CG-CB 4.48Å; E79-L85 HydrophobicContact CG-CD2 4.03Å; E79-Y96 HydrophobicContact CG-CE2 3.89Å; E79-Y96 VanDerWaalsContact OE2-CE2 3.26Å; E79-Y96 WeakPolarHBondContact OE2-CE2 3.46Å; E79-Y96 PolarHBondContact OE2-OH 3.05Å; E79-N98 WeakPolarHBondContact OE1-CB 3.14Å; E79-N98 PolarHBondContact OE1-ND2 2.69Å; E79-N98 PolarHBondContact OE2-ND2 2.82Å
80P96.6Very high94.8Very high50 Ų5071.3 Ų71.333%0.32536%0.361SS..EExtended strand (participates in β ladder)trans-62.1135171.6-27.938.2000113.5P62 N82 L85P62-P80 HydrophobicContact CB-CB 4.26Å; P62-P80 HydrophobicContact CG-CB 3.79Å; P62-P80 HydrophobicContact CG-CG 4.27Å; P80-N82 PolarHBondContact O-N 2.67Å; P80-L85 WeakPolarHBondContact O-CD1 3.33Å; P80-L85 WeakPolarHBondContact O-CD2 3.35Å
81I96.5Very high94.5Very high0 Ų073.8 Ų73.80%037%0.374CS..  trans-91.691.4171.4-56.4168.6000108.6V55 H64 F66 M121 I124 V125V55-I81 HydrophobicContact CG1-CD1 4.11Å; H64-I81 HydrophobicContact CB-CB 4.05Å; H64-I81 PolarHBondContact O-N 3.22Å; F66-I81 HydrophobicContact CD1-CD1 4.12Å; F66-I81 HydrophobicContact CD1-CG1 3.86Å; F66-I81 HydrophobicContact CE1-CG1 4.49Å; I81-M121 HydrophobicContact CD1-CG 4.34Å; I81-I124 HydrophobicContact CB-CG2 4.04Å; I81-I124 HydrophobicContact CD1-CD1 4.24Å; I81-I124 HydrophobicContact CD1-CG2 4.25Å; I81-I124 HydrophobicContact CG2-CB 4.15Å; I81-I124 HydrophobicContact CG2-CG2 3.55Å; I81-V125 HydrophobicContact CG2-CG2 3.54Å
82N92.4Very high94.6Very high66 Ų6667.7 Ų67.735%0.35336%0.357SS..  trans-94.4166.8172.6-65.5-47.1000111.2P80 D84 L85P80-N82 PolarHBondContact O-N 2.67Å; N82-D84 PolarHBondContact O-N 3.43Å; N82-D84 VanDerWaalsContact O-N 3.12Å; N82-L85 HydrophobicContact CB-CD1 4.27Å; N82-L85 PolarHBondContact O-N 2.74Å
83K90.8Very high95Very high112 Ų11263.4 Ų63.449%0.48733%0.333SS..THydrogen-bonded Turntrans-56.2-24.2171.770-179.5-172.9176.30113.5A129 A132K83-A129 HydrophobicContact CB-CB 3.85Å; K83-A132 HydrophobicContact CD-CB 4.01Å
84D89.2Confident95.3Very high93 Ų9361.3 Ų61.350%0.49732%0.319SS..THydrogen-bonded Turntrans-93.45.9-173.5-42.9-82.2000113N82N82-D84 PolarHBondContact O-N 3.43Å; N82-D84 VanDerWaalsContact O-N 3.12Å
85L94.4Very high95.6Very high7 Ų755.7 Ų55.74%0.03728%0.283CS..  trans-85118.7171.5-97.572000110.8F66 E79 P80 N82 F87 R97 N98 V125F66-L85 HydrophobicContact CE1-CD2 4.36Å; E79-L85 HydrophobicContact CG-CD2 4.03Å; P80-L85 WeakPolarHBondContact O-CD1 3.33Å; P80-L85 WeakPolarHBondContact O-CD2 3.35Å; N82-L85 HydrophobicContact CB-CD1 4.27Å; N82-L85 PolarHBondContact O-N 2.74Å; L85-F87 HydrophobicContact CB-CD2 4.5Å; L85-F87 HydrophobicContact CB-CE2 3.91Å; L85-F87 HydrophobicContact CD2-CE2 4.09Å; L85-F87 HydrophobicContact CD2-CZ 3.93Å; L85-R97 WeakPolarHBondContact CA-O 3.19Å; L85-N98 HydrophobicContact CD1-CB 4.27Å; L85-N98 HydrophobicContact CG-CB 4.42Å; L85-V125 HydrophobicContact CB-CG2 4.18Å; L85-V125 WeakPolarHBondContact O-CG1 3.39Å
86E94.9Very high95.7Very high91 Ų9149.1 Ų49.143%0.42525%0.252SS..EExtended strand (participates in β ladder)trans-93.7133.5174.5-55.9-179.4129.300109.4Y96 R97E86-Y96 CarbonylContact O-C 3.56Å; E86-Y96 VanDerWaalsContact O-CA 3.23Å; E86-Y96 WeakPolarHBondContact O-CA 3.37Å; E86-R97 HydrophobicContact CB-CB 4.28Å; E86-R97 PolarHBondContact N-O 2.96Å; E86-R97 PolarHBondContact O-N 3.41Å; E86-R97 WeakPolarHBondContact OE2-CD 3.46Å; E86-R97 IonicContact OE2-NH1 3.97Å; E86-R97 PolarHBondContact OE2-NH1 3.11Å
87F96.8Very high95.7Very high35 Ų3550.4 Ų50.415%0.15425%0.253CS..EExtended strand (participates in β ladder)trans-122.8136.9178.9-74.9-82.2000111.4F66 L85 L94 Y96 M121 V122 V125F66-F87 HydrophobicContact CE1-CZ 4.19Å; L85-F87 HydrophobicContact CB-CD2 4.5Å; L85-F87 HydrophobicContact CB-CE2 3.91Å; L85-F87 HydrophobicContact CD2-CE2 4.09Å; L85-F87 HydrophobicContact CD2-CZ 3.93Å; F87-L94 HydrophobicContact CB-CD1 4.32Å; F87-L94 HydrophobicContact CD1-CD1 4Å; F87-L94 HydrophobicContact CD1-CD2 4Å; F87-L94 HydrophobicContact CD1-CG 3.97Å; F87-L94 HydrophobicContact CE1-CD2 4.23Å; F87-Y96 VanDerWaalsContact CD1-CB 3.5Å; F87-Y96 VanDerWaalsContact CE1-CB 3.5Å; F87-Y96 HydrophobicContact CE1-CG 4.15Å; F87-M121 HydrophobicContact CD1-CB 4.5Å; F87-M121 HydrophobicContact CD1-SD 4.27Å; F87-M121 HydrophobicContact CD2-CB 4.27Å; F87-M121 HydrophobicContact CE1-CB 4.17Å; F87-M121 HydrophobicContact CE1-CG 4.4Å; F87-M121 HydrophobicContact CE1-SD 3.45Å; F87-M121 WeakPolarHBondContact CE1-SD 3.11Å; F87-M121 HydrophobicContact CE2-CB 3.92Å; F87-M121 HydrophobicContact CZ-CB 3.86Å; F87-M121 HydrophobicContact CZ-CG 4.17Å; F87-M121 HydrophobicContact CZ-SD 3.68Å; F87-V122 HydrophobicContact CB-CG2 3.9Å; F87-V125 HydrophobicContact CD2-CG2 3.9Å; F87-V125 HydrophobicContact CE2-CG2 3.64Å
88Q96.9Very high95.5Very high105 Ų10550 Ų5049%0.49125%0.251SS..EExtended strand (participates in β ladder)trans-132.6116.8173.2-174.1-176-0.600110.7Q90 L95Q88-Q90 HydrophobicContact CG-CG 4.32Å; Q88-L95 HydrophobicContact CB-CB 4.36Å; Q88-L95 PolarHBondContact N-O 2.75Å; Q88-L95 WeakPolarHBondContact O-CB 3.14Å; Q88-L95 PolarHBondContact O-N 3.28Å
89L97.4Very high95.1Very high65 Ų6548.2 Ų48.234%0.3425%0.251SS..EExtended strand (participates in β ladder)trans-77.7128.4173.7-177.361.9000110.6D91 C114 A118L89-D91 WeakPolarHBondContact CG-OD2 3.28Å; L89-C114 WeakPolarHBondContact CD1-SG 3.47Å; L89-A118 HydrophobicContact CB-CB 4.36Å; L89-A118 HydrophobicContact CD1-CB 4.03Å; L89-A118 HydrophobicContact CD2-CB 4.25Å; L89-A118 HydrophobicContact CG-CB 4.46Å
90Q96.1Very high94.8Very high58 Ų5854.2 Ų54.227%0.27128%0.284SS..EExtended strand (participates in β ladder)trans-141.375.1171.5-63.4-173.618.800108.5Q88 F93 L95Q88-Q90 HydrophobicContact CG-CG 4.32Å; Q90-F93 CarbonylContact C-O 3.22Å; Q90-F93 VanDerWaalsContact C-O 3.24Å; Q90-F93 PolarHBondContact N-O 2.78Å; Q90-F93 WeakPolarHBondContact O-CA 3.42Å; Q90-F93 WeakPolarHBondContact O-CB 3.39Å; Q90-F93 PolarHBondContact O-N 3.3Å; Q90-L95 HydrophobicContact CB-CD1 3.92Å; Q90-L95 HydrophobicContact CG-CD1 4.01Å
91D91.4Very high94.4Very high69 Ų6957.2 Ų57.237%0.36930%0.296SS..THydrogen-bonded Turntrans-48.6135.3-169.2-71.5-89.3000114.9L89 F93 H115L89-D91 WeakPolarHBondContact CG-OD2 3.28Å; D91-F93 VanDerWaalsContact C-N 3.35Å; D91-H115 VanDerWaalsContact CG-ND1 3.33Å; D91-H115 IonicContact OD1-CE1 3.16Å; D91-H115 PolarHBondContact OD1-CE1 3.45Å; D91-H115 IonicContact OD1-ND1 2.63Å; D91-H115 PolarHBondContact OD1-ND1 3.42Å; D91-H115 IonicContact OD2-CE1 2.79Å; D91-H115 PolarHBondContact OD2-CE1 3.18Å; D91-H115 IonicContact OD2-ND1 2.68Å; D91-H115 PolarHBondContact OD2-ND1 2.93Å
92P96Very high94.3Very high44 Ų4458.2 Ų58.229%0.28631%0.306SS..THydrogen-bonded Turncis-87.923.96.536.8-38.5000114.9F108P92-F108 PolarHBondContact O-N 3.15Å
93F98.1Very high94.5Very high34 Ų3458 Ų5815%0.14931%0.305CS..EExtended strand (participates in β ladder)trans-108.6139.8-177.9-55.8-94.7000112.5Q90 D91 L95 S105 I106 W107 F373Q90-F93 CarbonylContact C-O 3.22Å; Q90-F93 VanDerWaalsContact C-O 3.24Å; Q90-F93 PolarHBondContact N-O 2.78Å; Q90-F93 WeakPolarHBondContact O-CA 3.42Å; Q90-F93 WeakPolarHBondContact O-CB 3.39Å; Q90-F93 PolarHBondContact O-N 3.3Å; D91-F93 VanDerWaalsContact C-N 3.35Å; F93-L95 HydrophobicContact CB-CD1 3.97Å; F93-S105 WeakPolarHBondContact CD1-OG 3.34Å; F93-I106 WeakPolarHBondContact CA-O 3.45Å; F93-W107 HydrophobicContact CD1-CB 3.76Å; F93-W107 AromaticContact CD1-CD1 3.8Å; F93-W107 HydrophobicContact CD1-CG 4.2Å; F93-W107 HydrophobicContact CE1-CB 3.76Å; F93-W107 AromaticContact CE1-CD1 3.42Å; F93-W107 VanDerWaalsContact CE1-CD1 3.42Å; F93-W107 AromaticContact CE1-CG 3.92Å; F93-W107 HydrophobicContact CE1-CG 3.92Å; F93-W107 AromaticContact CZ-CD1 3.59Å; F93-W107 HydrophobicContact CZ-CG 4.47Å; F93-F373 HydrophobicContact CE1-CZ 4.46Å; F93-F373 HydrophobicContact CZ-CE1 4.19Å; F93-F373 HydrophobicContact CZ-CZ 4.11Å
94L98.3Very high94.9Very high1 Ų155.3 Ų55.31%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-106.4106.3162.9-178.656000108.6F87 I106 F108 I117 A118 M121F87-L94 HydrophobicContact CB-CD1 4.32Å; F87-L94 HydrophobicContact CD1-CD1 4Å; F87-L94 HydrophobicContact CD1-CD2 4Å; F87-L94 HydrophobicContact CD1-CG 3.97Å; F87-L94 HydrophobicContact CE1-CD2 4.23Å; L94-I106 PolarHBondContact N-O 2.88Å; L94-I106 PolarHBondContact O-N 3.02Å; L94-F108 HydrophobicContact CB-CE2 3.78Å; L94-I117 HydrophobicContact CD2-CG2 4.3Å; L94-A118 HydrophobicContact CD1-CB 3.75Å; L94-A118 HydrophobicContact CD2-CB 4.09Å; L94-A118 HydrophobicContact CG-CB 4.5Å; L94-M121 HydrophobicContact CD2-SD 3.71Å
95L98.3Very high95.3Very high14 Ų1451.1 Ų51.17%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-78.5141.7172-71.270.2000108.5W44 Q88 Q90 F93 Y104 L367W44-L95 HydrophobicContact CH2-CD2 4.17Å; W44-L95 HydrophobicContact CH2-CG 4.2Å; W44-L95 HydrophobicContact CZ2-CD2 3.93Å; W44-L95 HydrophobicContact CZ2-CG 4.35Å; Q88-L95 HydrophobicContact CB-CB 4.36Å; Q88-L95 PolarHBondContact N-O 2.75Å; Q88-L95 WeakPolarHBondContact O-CB 3.14Å; Q88-L95 PolarHBondContact O-N 3.28Å; Q90-L95 HydrophobicContact CB-CD1 3.92Å; Q90-L95 HydrophobicContact CG-CD1 4.01Å; F93-L95 HydrophobicContact CB-CD1 3.97Å; L95-Y104 CarbonylContact C-O 3.6Å; L95-Y104 VanDerWaalsContact CA-O 3.31Å; L95-Y104 WeakPolarHBondContact CA-O 3.31Å; L95-L367 HydrophobicContact CD2-CD1 4.39Å
96Y98.1Very high95.5Very high4 Ų450.8 Ų50.82%0.01627%0.268CS..EExtended strand (participates in β ladder)trans-141.1154.8171.379.1-92.3000112L34 F66 E79 E86 F87 N98 Y104 I106L34-Y96 HydrophobicContact CD1-CE1 4.23Å; F66-Y96 HydrophobicContact CE2-CE1 4.45Å; F66-Y96 HydrophobicContact CZ-CD1 4.33Å; F66-Y96 AromaticContact CZ-CE1 3.9Å; F66-Y96 HydrophobicContact CZ-CE1 3.9Å; F66-Y96 HydrophobicContact CZ-CE2 4.32Å; F66-Y96 AromaticContact CZ-CZ 3.89Å; E79-Y96 HydrophobicContact CG-CE2 3.89Å; E79-Y96 VanDerWaalsContact OE2-CE2 3.26Å; E79-Y96 WeakPolarHBondContact OE2-CE2 3.46Å; E79-Y96 PolarHBondContact OE2-OH 3.05Å; E86-Y96 CarbonylContact O-C 3.56Å; E86-Y96 VanDerWaalsContact O-CA 3.23Å; E86-Y96 WeakPolarHBondContact O-CA 3.37Å; F87-Y96 VanDerWaalsContact CD1-CB 3.5Å; F87-Y96 VanDerWaalsContact CE1-CB 3.5Å; F87-Y96 HydrophobicContact CE1-CG 4.15Å; Y96-N98 HydrophobicContact CE2-CB 4.31Å; Y96-Y104 HydrophobicContact CD2-CD2 4.28Å; Y96-Y104 HydrophobicContact CE1-CD2 4.4Å; Y96-Y104 HydrophobicContact CE1-CG 4.1Å; Y96-Y104 AromaticContact CE2-CD2 3.62Å; Y96-Y104 HydrophobicContact CE2-CD2 3.62Å; Y96-Y104 HydrophobicContact CE2-CE2 4.42Å; Y96-Y104 HydrophobicContact CE2-CG 4.15Å; Y96-Y104 AromaticContact CZ-CD2 3.7Å; Y96-Y104 AromaticContact CZ-CG 3.76Å; Y96-Y104 PolarHBondContact N-O 3.42Å; Y96-Y104 PolarHBondContact O-N 3.26Å; Y96-I106 HydrophobicContact CD1-CD1 4.01Å; Y96-I106 HydrophobicContact CD1-CG1 4.1Å; Y96-I106 HydrophobicContact CE1-CD1 3.87Å; Y96-I106 HydrophobicContact CE1-CG1 3.93Å
97R96.4Very high95.7Very high83 Ų8349.8 Ų49.831%0.31326%0.261SS..EExtended strand (participates in β ladder)trans-124.1130.9171.8-168.2-172-168.6-164.92.2109L85 E86 L101 G102 I103L85-R97 WeakPolarHBondContact CA-O 3.19Å; E86-R97 HydrophobicContact CB-CB 4.28Å; E86-R97 PolarHBondContact N-O 2.96Å; E86-R97 PolarHBondContact O-N 3.41Å; E86-R97 WeakPolarHBondContact OE2-CD 3.46Å; E86-R97 IonicContact OE2-NH1 3.97Å; E86-R97 PolarHBondContact OE2-NH1 3.11Å; R97-L101 PolarHBondContact NE-O 3.12Å; R97-G102 VanDerWaalsContact CA-O 3.29Å; R97-G102 WeakPolarHBondContact CA-O 3.35Å; R97-G102 WeakPolarHBondContact CG-O 3.46Å; R97-I103 HydrophobicContact CB-CG1 4.43Å; R97-I103 HydrophobicContact CG-CG1 3.98Å
98N93.2Very high95.8Very high11 Ų1148.2 Ų48.26%0.05925%0.254CS..  trans-100.3174.8178.771.48.2000112.7E79 L85 Y96 N100 L101 G102E79-N98 WeakPolarHBondContact OE1-CB 3.14Å; E79-N98 PolarHBondContact OE1-ND2 2.69Å; E79-N98 PolarHBondContact OE2-ND2 2.82Å; L85-N98 HydrophobicContact CD1-CB 4.27Å; L85-N98 HydrophobicContact CG-CB 4.42Å; Y96-N98 HydrophobicContact CE2-CB 4.31Å; N98-N100 PolarHBondContact O-N 3.05Å; N98-N100 VanDerWaalsContact O-N 3.12Å; N98-N100 PolarHBondContact OD1-N 2.98Å; N98-L101 WeakPolarHBondContact O-CA 3.44Å; N98-L101 PolarHBondContact O-N 3.47Å; N98-G102 PolarHBondContact N-O 2.93Å; N98-G102 PolarHBondContact OD1-N 3.37Å
99G88Confident95.8Very high51 Ų5151.6 Ų51.653%0.52626%0.263SS..THydrogen-bonded Turntrans-61.2-20.1-177.700000114.7L101G99-L101 PolarHBondContact O-N 3.34Å
100N90.4Very high95.8Very high146 Ų14650.4 Ų50.478%0.78126%0.257SS*.THydrogen-bonded Turntrans-80.88.1172.6-62.5-15.6000112.5N98 G102N98-N100 PolarHBondContact O-N 3.05Å; N98-N100 VanDerWaalsContact O-N 3.12Å; N98-N100 PolarHBondContact OD1-N 2.98Å; N100-G102 PolarHBondContact O-N 2.93Å; N100-G102 VanDerWaalsContact O-N 3.11Å
101L89.4Confident95.7Very high112 Ų11254.3 Ų54.359%0.58627%0.273SS*.  trans63.24.7-175.9-48.5-176.7000115.2R97 N98 G99R97-L101 PolarHBondContact NE-O 3.12Å; N98-L101 WeakPolarHBondContact O-CA 3.44Å; N98-L101 PolarHBondContact O-N 3.47Å; G99-L101 PolarHBondContact O-N 3.34Å
102G94.2Very high96Very high21 Ų2159.5 Ų59.522%0.21629%0.288CS..  trans-65.1140.8174.500000111.3R97 N98 N100R97-G102 VanDerWaalsContact CA-O 3.29Å; R97-G102 WeakPolarHBondContact CA-O 3.35Å; R97-G102 WeakPolarHBondContact CG-O 3.46Å; N98-G102 PolarHBondContact N-O 2.93Å; N98-G102 PolarHBondContact OD1-N 3.37Å; N100-G102 PolarHBondContact O-N 2.93Å; N100-G102 VanDerWaalsContact O-N 3.11Å
103I96.9Very high96.1Very high62 Ų6258.7 Ų58.732%0.31828%0.281SS..EExtended strand (participates in β ladder)trans-114.1125.4-176.5-64.9170.1000108.3F37 W44 R97F37-I103 HydrophobicContact CB-CB 4Å; F37-I103 HydrophobicContact CB-CG2 3.88Å; F37-I103 WeakPolarHBondContact CB-O 3.3Å; F37-I103 HydrophobicContact CD1-CB 4.44Å; F37-I103 HydrophobicContact CD1-CD1 4.44Å; F37-I103 HydrophobicContact CG-CG2 4.43Å; F37-I103 PolarHBondContact N-O 2.81Å; W44-I103 HydrophobicContact CH2-CG2 3.89Å; R97-I103 HydrophobicContact CB-CG1 4.43Å; R97-I103 HydrophobicContact CG-CG1 3.98Å
104Y98.2Very high96.1Very high56 Ų5657 Ų5722%0.2227%0.274CS..EExtended strand (participates in β ladder)trans-129.5162.4-174.3-61.1-84000110.6L34 Y35 N36 L95 Y96L34-Y104 HydrophobicContact CD1-CD1 4.44Å; Y35-Y104 CarbonylContact O-C 3.46Å; Y35-Y104 WeakPolarHBondContact O-CA 3.33Å; N36-Y104 HydrophobicContact CB-CD1 4.3Å; N36-Y104 HydrophobicContact CB-CE1 4.31Å; N36-Y104 WeakPolarHBondContact OD1-CE1 3.4Å; L95-Y104 CarbonylContact C-O 3.6Å; L95-Y104 VanDerWaalsContact CA-O 3.31Å; L95-Y104 WeakPolarHBondContact CA-O 3.31Å; Y96-Y104 HydrophobicContact CD2-CD2 4.28Å; Y96-Y104 HydrophobicContact CE1-CD2 4.4Å; Y96-Y104 HydrophobicContact CE1-CG 4.1Å; Y96-Y104 AromaticContact CE2-CD2 3.62Å; Y96-Y104 HydrophobicContact CE2-CD2 3.62Å; Y96-Y104 HydrophobicContact CE2-CE2 4.42Å; Y96-Y104 HydrophobicContact CE2-CG 4.15Å; Y96-Y104 AromaticContact CZ-CD2 3.7Å; Y96-Y104 AromaticContact CZ-CG 3.76Å; Y96-Y104 PolarHBondContact N-O 3.42Å; Y96-Y104 PolarHBondContact O-N 3.26Å
105S98.3Very high96.1Very high5 Ų560.9 Ų60.94%0.03529%0.292CS..EExtended strand (participates in β ladder)trans-140.1127.5174.2-173.90000110.4Y35 F93Y35-S105 PolarHBondContact N-O 2.85Å; Y35-S105 PolarHBondContact O-N 2.94Å; F93-S105 WeakPolarHBondContact CD1-OG 3.34Å
106I98.6Very high96.1Very high0 Ų064.9 Ų64.90%031%0.306CS..EExtended strand (participates in β ladder)trans-101.8109.7176.6-53.8175.3000106.9V32 L34 L53 F66 I68 F93 L94 Y96 F108V32-I106 HydrophobicContact CB-CG2 3.76Å; V32-I106 HydrophobicContact CG1-CG2 4.09Å; V32-I106 HydrophobicContact CG2-CG2 4.05Å; L34-I106 HydrophobicContact CD1-CG1 4.05Å; L53-I106 HydrophobicContact CD1-CD1 3.9Å; L53-I106 HydrophobicContact CD1-CG2 4.09Å; F66-I106 HydrophobicContact CE2-CD1 3.64Å; F66-I106 HydrophobicContact CZ-CD1 4.06Å; I68-I106 HydrophobicContact CD1-CD1 4.48Å; I68-I106 HydrophobicContact CD1-CG1 4.45Å; I68-I106 HydrophobicContact CD1-CG2 4.34Å; F93-I106 WeakPolarHBondContact CA-O 3.45Å; L94-I106 PolarHBondContact N-O 2.88Å; L94-I106 PolarHBondContact O-N 3.02Å; Y96-I106 HydrophobicContact CD1-CD1 4.01Å; Y96-I106 HydrophobicContact CD1-CG1 4.1Å; Y96-I106 HydrophobicContact CE1-CD1 3.87Å; Y96-I106 HydrophobicContact CE1-CG1 3.93Å; I106-F108 HydrophobicContact CB-CE2 3.89Å; I106-F108 HydrophobicContact CG2-CD2 4.09Å; I106-F108 HydrophobicContact CG2-CE2 3.52Å; I106-F108 HydrophobicContact CG2-CZ 3.87Å; I106-F108 VanDerWaalsContact O-CD2 3.3Å; I106-F108 WeakPolarHBondContact O-CD2 3.38Å; I106-F108 WeakPolarHBondContact O-CE2 3.34Å
107W98.4Very high96.1Very high70 Ų7064.7 Ų64.727%0.26531%0.305SS..EExtended strand (participates in β ladder)trans-81.6134.8171.2178.676.8000110.2V32 A33 Y35 F93 Y109V32-W107 CarbonylContact C-O 3.58Å; V32-W107 WeakPolarHBondContact CA-O 3.43Å; V32-W107 VanDerWaalsContact CB-O 3.27Å; V32-W107 WeakPolarHBondContact CB-O 3.39Å; A33-W107 HydrophobicContact CB-CE3 4.25Å; A33-W107 PolarHBondContact N-O 2.79Å; A33-W107 PolarHBondContact O-N 3.12Å; Y35-W107 HydrophobicContact CD2-CB 4.36Å; Y35-W107 HydrophobicContact CE2-CB 3.83Å; F93-W107 HydrophobicContact CD1-CB 3.76Å; F93-W107 AromaticContact CD1-CD1 3.8Å; F93-W107 HydrophobicContact CD1-CG 4.2Å; F93-W107 HydrophobicContact CE1-CB 3.76Å; F93-W107 AromaticContact CE1-CD1 3.42Å; F93-W107 VanDerWaalsContact CE1-CD1 3.42Å; F93-W107 AromaticContact CE1-CG 3.92Å; F93-W107 HydrophobicContact CE1-CG 3.92Å; F93-W107 AromaticContact CZ-CD1 3.59Å; F93-W107 HydrophobicContact CZ-CG 4.47Å; W107-Y109 AromaticContact CH2-CD2 3.92Å; W107-Y109 HydrophobicContact CH2-CD2 3.92Å; W107-Y109 HydrophobicContact CZ3-CD2 4.41Å
108F98.4Very high96.2Very high2 Ų261 Ų611%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-111.5135.9178.9-69.6-107.3000111.7T29 V32 L53 P92 L94 I106 D113 C114 I117T29-F108 HydrophobicContact CG2-CE1 4.22Å; V32-F108 HydrophobicContact CG1-CB 4.49Å; V32-F108 HydrophobicContact CG1-CD1 3.47Å; V32-F108 VanDerWaalsContact CG1-CD1 3.47Å; V32-F108 HydrophobicContact CG1-CD2 4.44Å; V32-F108 HydrophobicContact CG1-CE1 3.68Å; V32-F108 HydrophobicContact CG1-CG 3.89Å; V32-F108 HydrophobicContact CG1-CZ 4.26Å; L53-F108 HydrophobicContact CD1-CZ 4.32Å; P92-F108 PolarHBondContact O-N 3.15Å; L94-F108 HydrophobicContact CB-CE2 3.78Å; I106-F108 HydrophobicContact CB-CE2 3.89Å; I106-F108 HydrophobicContact CG2-CD2 4.09Å; I106-F108 HydrophobicContact CG2-CE2 3.52Å; I106-F108 HydrophobicContact CG2-CZ 3.87Å; I106-F108 VanDerWaalsContact O-CD2 3.3Å; I106-F108 WeakPolarHBondContact O-CD2 3.38Å; I106-F108 WeakPolarHBondContact O-CE2 3.34Å; F108-D113 HydrophobicContact CD1-CB 4.03Å; F108-C114 HydrophobicContact CB-CB 3.78Å; F108-C114 HydrophobicContact CD1-CB 4.19Å; F108-C114 HydrophobicContact CD2-CB 3.68Å; F108-C114 WeakPolarHBondContact CD2-SG 3.15Å; F108-C114 HydrophobicContact CE2-CB 4.3Å; F108-C114 HydrophobicContact CG-CB 3.62Å; F108-I117 HydrophobicContact CE1-CB 4.16Å; F108-I117 HydrophobicContact CE1-CG1 4.12Å; F108-I117 HydrophobicContact CE1-CG2 4.44Å; F108-I117 HydrophobicContact CZ-CB 4.16Å; F108-I117 HydrophobicContact CZ-CG2 4.08Å
109Y97.6Very high96.4Very high175 Ų17566.8 Ų66.869%0.68632%0.319SS*.SBendtrans-65.1-36.9172.9-172.4-88.6000112.6Q31 W107Q31-Y109 WeakPolarHBondContact O-CB 3.36Å; Q31-Y109 PolarHBondContact O-N 2.86Å; W107-Y109 AromaticContact CH2-CD2 3.92Å; W107-Y109 HydrophobicContact CH2-CD2 3.92Å; W107-Y109 HydrophobicContact CZ3-CD2 4.41Å
110D96.8Very high96.9Very high41 Ų4165.9 Ų65.922%0.21930%0.302CS..SBendtrans-110.2118.6171.7-167.3-23.2000110.9R112 D113 C114D110-R112 PolarHBondContact O-N 3.23Å; D110-R112 VanDerWaalsContact O-N 3.15Å; D110-R112 VanDerWaalsContact OD1-CB 3.24Å; D110-R112 WeakPolarHBondContact OD1-CB 3.34Å; D110-R112 VanDerWaalsContact OD1-CG 3.31Å; D110-R112 WeakPolarHBondContact OD1-CG 3.31Å; D110-R112 PolarHBondContact OD1-N 3.07Å; D110-R112 IonicContact OD1-NE 3.72Å; D110-R112 PolarHBondContact OD1-NE 2.92Å; D110-R112 VanDerWaalsContact OD1-NE 3.15Å; D110-R112 IonicContact OD2-CZ 2.74Å; D110-R112 IonicContact OD2-NE 2.8Å; D110-R112 PolarHBondContact OD2-NE 3.36Å; D110-R112 IonicContact OD2-NH2 3.79Å; D110-R112 PolarHBondContact OD2-NH2 2.8Å; D110-D113 HydrophobicContact CB-CB 4.27Å; D110-D113 WeakPolarHBondContact O-CB 3.45Å; D110-D113 PolarHBondContact O-N 3.26Å; D110-C114 PolarHBondContact O-N 3.24Å; D110-C114 VanDerWaalsContact O-N 3.12Å
111K95.6Very high97.3Very high140 Ų14059 Ų5961%0.60927%0.265SS*.Hα-helixtrans-58.6-24.5175.166.7-178.5-175.61780113.8C114 H115K111-C114 WeakPolarHBondContact O-CB 3.36Å; K111-C114 PolarHBondContact O-N 3.25Å; K111-H115 PolarHBondContact O-N 3.12Å; K111-H115 PolarHBondContact O-ND1 3.35Å
112R97.5Very high97.6Very high177 Ų17757.4 Ų57.467%0.66826%0.26SS*.Hα-helixtrans-71.2-37.7175.8-59175.4-66.4179.13.5111.3D110 R116D110-R112 PolarHBondContact O-N 3.23Å; D110-R112 VanDerWaalsContact O-N 3.15Å; D110-R112 VanDerWaalsContact OD1-CB 3.24Å; D110-R112 WeakPolarHBondContact OD1-CB 3.34Å; D110-R112 VanDerWaalsContact OD1-CG 3.31Å; D110-R112 WeakPolarHBondContact OD1-CG 3.31Å; D110-R112 PolarHBondContact OD1-N 3.07Å; D110-R112 IonicContact OD1-NE 3.72Å; D110-R112 PolarHBondContact OD1-NE 2.92Å; D110-R112 VanDerWaalsContact OD1-NE 3.15Å; D110-R112 IonicContact OD2-CZ 2.74Å; D110-R112 IonicContact OD2-NE 2.8Å; D110-R112 PolarHBondContact OD2-NE 3.36Å; D110-R112 IonicContact OD2-NH2 3.79Å; D110-R112 PolarHBondContact OD2-NH2 2.8Å; R112-R116 WeakPolarHBondContact O-CB 3.48Å; R112-R116 PolarHBondContact O-N 2.94Å
113D97.8Very high97.8Very high27 Ų2762.5 Ų62.514%0.14428%0.276CS..Hα-helixtrans-65.3-43.2171.4-84.48.7000109.8T29 G30 F108 D110 R116 I117T29-D113 VanDerWaalsContact CA-OD2 3.28Å; T29-D113 WeakPolarHBondContact CA-OD2 3.41Å; T29-D113 WeakPolarHBondContact CB-OD2 3.42Å; T29-D113 HydrophobicContact CG2-CB 3.54Å; T29-D113 WeakPolarHBondContact CG2-OD2 3.35Å; G30-D113 PolarHBondContact N-OD2 3.48Å; F108-D113 HydrophobicContact CD1-CB 4.03Å; D110-D113 HydrophobicContact CB-CB 4.27Å; D110-D113 WeakPolarHBondContact O-CB 3.45Å; D110-D113 PolarHBondContact O-N 3.26Å; D113-R116 PolarHBondContact O-N 2.92Å; D113-R116 IonicContact OD1-CZ 3.76Å; D113-R116 IonicContact OD1-NH1 3.19Å; D113-R116 PolarHBondContact OD1-NH1 2.95Å; D113-R116 IonicContact OD1-NH2 3.12Å; D113-R116 PolarHBondContact OD1-NH2 3.08Å; D113-I117 WeakPolarHBondContact O-CB 3.29Å; D113-I117 WeakPolarHBondContact O-CG1 3.23Å; D113-I117 PolarHBondContact O-N 3.16Å
114C97.9Very high97.8Very high0 Ų059.6 Ų59.60%026%0.261CS..Hα-helixtrans-55.1-55.4175.3-163.10000112.4L89 F108 D110 K111 R116 I117 A118L89-C114 WeakPolarHBondContact CD1-SG 3.47Å; F108-C114 HydrophobicContact CB-CB 3.78Å; F108-C114 HydrophobicContact CD1-CB 4.19Å; F108-C114 HydrophobicContact CD2-CB 3.68Å; F108-C114 WeakPolarHBondContact CD2-SG 3.15Å; F108-C114 HydrophobicContact CE2-CB 4.3Å; F108-C114 HydrophobicContact CG-CB 3.62Å; D110-C114 PolarHBondContact O-N 3.24Å; D110-C114 VanDerWaalsContact O-N 3.12Å; K111-C114 WeakPolarHBondContact O-CB 3.36Å; K111-C114 PolarHBondContact O-N 3.25Å; C114-R116 PolarHBondContact O-N 2.93Å; C114-I117 PolarHBondContact O-N 2.74Å; C114-A118 VanDerWaalsContact O-CB 3.29Å; C114-A118 WeakPolarHBondContact O-CB 3.5Å; C114-A118 PolarHBondContact O-N 3.18Å
115H98Very high97.7Very high82 Ų8257.9 Ų57.938%0.3826%0.256SS..Hα-helixtrans-54.6-47.8175.1-88.558000112.5D91 K111 Q119D91-H115 VanDerWaalsContact CG-ND1 3.33Å; D91-H115 IonicContact OD1-CE1 3.16Å; D91-H115 PolarHBondContact OD1-CE1 3.45Å; D91-H115 IonicContact OD1-ND1 2.63Å; D91-H115 PolarHBondContact OD1-ND1 3.42Å; D91-H115 IonicContact OD2-CE1 2.79Å; D91-H115 PolarHBondContact OD2-CE1 3.18Å; D91-H115 IonicContact OD2-ND1 2.68Å; D91-H115 PolarHBondContact OD2-ND1 2.93Å; K111-H115 PolarHBondContact O-N 3.12Å; K111-H115 PolarHBondContact O-ND1 3.35Å; H115-Q119 WeakPolarHBondContact O-CB 3.29Å; H115-Q119 VanDerWaalsContact O-CG 3.28Å; H115-Q119 WeakPolarHBondContact O-CG 3.35Å; H115-Q119 PolarHBondContact O-N 2.97Å; H115-Q119 VanDerWaalsContact O-N 3.08Å
116R98.3Very high97.5Very high97 Ų9764 Ų6437%0.36628%0.283SS..Hα-helixtrans-64.3-46.3-175.7-169.217775.4-112.92.6111.5D27 V28 R112 D113 C114 L120D27-R116 VanDerWaalsContact CG-NE 3.33Å; D27-R116 IonicContact OD1-CZ 2.66Å; D27-R116 IonicContact OD1-NE 3.46Å; D27-R116 PolarHBondContact OD1-NE 3.07Å; D27-R116 VanDerWaalsContact OD1-NE 3.11Å; D27-R116 IonicContact OD1-NH2 3.15Å; D27-R116 PolarHBondContact OD1-NH2 3.14Å; D27-R116 WeakPolarHBondContact OD2-CD 3.37Å; D27-R116 WeakPolarHBondContact OD2-CG 3.27Å; D27-R116 IonicContact OD2-CZ 2.91Å; D27-R116 IonicContact OD2-NE 3.43Å; D27-R116 PolarHBondContact OD2-NE 3.42Å; D27-R116 IonicContact OD2-NH2 2.67Å; V28-R116 PolarHBondContact O-NH2 2.98Å; R112-R116 WeakPolarHBondContact O-CB 3.48Å; R112-R116 PolarHBondContact O-N 2.94Å; D113-R116 PolarHBondContact O-N 2.92Å; D113-R116 IonicContact OD1-CZ 3.76Å; D113-R116 IonicContact OD1-NH1 3.19Å; D113-R116 PolarHBondContact OD1-NH1 2.95Å; D113-R116 IonicContact OD1-NH2 3.12Å; D113-R116 PolarHBondContact OD1-NH2 3.08Å; C114-R116 PolarHBondContact O-N 2.93Å; R116-L120 WeakPolarHBondContact O-CB 3.35Å; R116-L120 PolarHBondContact O-N 2.83Å
117I98.3Very high97.3Very high0 Ų069 Ų690%031%0.306CS..Hα-helixtrans-68.3-42.4178.6-67.1-55.2000111.8D27 T29 L53 V55 L94 F108 D113 C114 Q119 L120 M121D27-I117 HydrophobicContact CB-CD1 3.61Å; T29-I117 HydrophobicContact CG2-CD1 3.77Å; T29-I117 HydrophobicContact CG2-CG1 3.29Å; L53-I117 HydrophobicContact CD2-CD1 4.38Å; L53-I117 HydrophobicContact CD2-CG1 4.39Å; L53-I117 HydrophobicContact CD2-CG2 4.15Å; V55-I117 HydrophobicContact CG2-CD1 3.91Å; V55-I117 HydrophobicContact CG2-CG2 4.28Å; L94-I117 HydrophobicContact CD2-CG2 4.3Å; F108-I117 HydrophobicContact CE1-CB 4.16Å; F108-I117 HydrophobicContact CE1-CG1 4.12Å; F108-I117 HydrophobicContact CE1-CG2 4.44Å; F108-I117 HydrophobicContact CZ-CB 4.16Å; F108-I117 HydrophobicContact CZ-CG2 4.08Å; D113-I117 WeakPolarHBondContact O-CB 3.29Å; D113-I117 WeakPolarHBondContact O-CG1 3.23Å; D113-I117 PolarHBondContact O-N 3.16Å; C114-I117 PolarHBondContact O-N 2.74Å; I117-Q119 VanDerWaalsContact C-N 3.34Å; I117-Q119 PolarHBondContact O-N 2.83Å; I117-L120 PolarHBondContact O-N 2.88Å; I117-L120 VanDerWaalsContact O-N 3.13Å; I117-M121 HydrophobicContact CG2-CE 3.55Å; I117-M121 HydrophobicContact CG2-CG 4.01Å; I117-M121 HydrophobicContact CG2-SD 3.58Å; I117-M121 VanDerWaalsContact CG2-SD 3.58Å; I117-M121 WeakPolarHBondContact O-CB 3.36Å; I117-M121 WeakPolarHBondContact O-CG 3.29Å; I117-M121 PolarHBondContact O-N 2.96Å
118A98.1Very high97Very high5 Ų566.5 Ų66.54%0.04130%0.297CS..Hα-helixtrans-58.5-45.4176.300000111.9L89 L94 C114 L120 M121 V122L89-A118 HydrophobicContact CB-CB 4.36Å; L89-A118 HydrophobicContact CD1-CB 4.03Å; L89-A118 HydrophobicContact CD2-CB 4.25Å; L89-A118 HydrophobicContact CG-CB 4.46Å; L94-A118 HydrophobicContact CD1-CB 3.75Å; L94-A118 HydrophobicContact CD2-CB 4.09Å; L94-A118 HydrophobicContact CG-CB 4.5Å; C114-A118 VanDerWaalsContact O-CB 3.29Å; C114-A118 WeakPolarHBondContact O-CB 3.5Å; C114-A118 PolarHBondContact O-N 3.18Å; A118-L120 VanDerWaalsContact C-N 3.32Å; A118-L120 PolarHBondContact O-N 2.95Å; A118-M121 PolarHBondContact O-N 3.24Å; A118-V122 WeakPolarHBondContact O-CB 3.4Å; A118-V122 VanDerWaalsContact O-CG2 3.3Å; A118-V122 WeakPolarHBondContact O-CG2 3.37Å; A118-V122 PolarHBondContact O-N 3.22Å
119Q98.1Very high96.6Very high133 Ų13368.2 Ų68.262%0.62131%0.312SS*.Hα-helixtrans-65.4-32.2176.4-70.8176.213.700113.2H115 I117 K123H115-Q119 WeakPolarHBondContact O-CB 3.29Å; H115-Q119 VanDerWaalsContact O-CG 3.28Å; H115-Q119 WeakPolarHBondContact O-CG 3.35Å; H115-Q119 PolarHBondContact O-N 2.97Å; H115-Q119 VanDerWaalsContact O-N 3.08Å; I117-Q119 VanDerWaalsContact C-N 3.34Å; I117-Q119 PolarHBondContact O-N 2.83Å; Q119-K123 WeakPolarHBondContact O-CB 3.35Å; Q119-K123 PolarHBondContact O-N 3.01Å
120L98.4Very high96.3Very high33 Ų3363.9 Ų63.917%0.17330%0.3CS..Hα-helixtrans-72.9-50.1174.8177.860.8000111.6L26 D27 V55 R116 I117 A118 K123 I124L26-L120 HydrophobicContact CB-CD2 4.15Å; D27-L120 HydrophobicContact CB-CD2 3.48Å; D27-L120 VanDerWaalsContact CB-CD2 3.48Å; V55-L120 HydrophobicContact CB-CD2 4.12Å; V55-L120 HydrophobicContact CG1-CD2 4Å; V55-L120 HydrophobicContact CG1-CG 4.45Å; V55-L120 HydrophobicContact CG2-CD2 4.47Å; R116-L120 WeakPolarHBondContact O-CB 3.35Å; R116-L120 PolarHBondContact O-N 2.83Å; I117-L120 PolarHBondContact O-N 2.88Å; I117-L120 VanDerWaalsContact O-N 3.13Å; A118-L120 VanDerWaalsContact C-N 3.32Å; A118-L120 PolarHBondContact O-N 2.95Å; L120-K123 WeakPolarHBondContact O-CB 3.29Å; L120-K123 PolarHBondContact O-N 3Å; L120-I124 HydrophobicContact CD1-CD1 3.88Å; L120-I124 HydrophobicContact CD1-CG1 4.23Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CG1 3.27Å; L120-I124 PolarHBondContact O-N 3.19Å
121M97.9Very high95.9Very high0 Ų065.2 Ų65.20%031%0.305CS..Hα-helixtrans-61.3-46.8-178.3-73179167.400111.9L53 V55 F66 I81 F87 L94 I117 A118 K123 I124 V125L53-M121 HydrophobicContact CD1-CE 4.39Å; L53-M121 HydrophobicContact CD2-CE 4.24Å; V55-M121 HydrophobicContact CG2-CE 3.73Å; F66-M121 HydrophobicContact CB-CE 3.65Å; F66-M121 HydrophobicContact CD1-CE 3.47Å; F66-M121 VanDerWaalsContact CD1-CE 3.47Å; F66-M121 HydrophobicContact CD1-SD 4.44Å; F66-M121 HydrophobicContact CD2-CE 3.79Å; F66-M121 HydrophobicContact CE1-CE 3.96Å; F66-M121 HydrophobicContact CE2-CE 4.26Å; F66-M121 HydrophobicContact CG-CE 3.36Å; F66-M121 HydrophobicContact CZ-CE 4.33Å; I81-M121 HydrophobicContact CD1-CG 4.34Å; F87-M121 HydrophobicContact CD1-CB 4.5Å; F87-M121 HydrophobicContact CD1-SD 4.27Å; F87-M121 HydrophobicContact CD2-CB 4.27Å; F87-M121 HydrophobicContact CE1-CB 4.17Å; F87-M121 HydrophobicContact CE1-CG 4.4Å; F87-M121 HydrophobicContact CE1-SD 3.45Å; F87-M121 WeakPolarHBondContact CE1-SD 3.11Å; F87-M121 HydrophobicContact CE2-CB 3.92Å; F87-M121 HydrophobicContact CZ-CB 3.86Å; F87-M121 HydrophobicContact CZ-CG 4.17Å; F87-M121 HydrophobicContact CZ-SD 3.68Å; L94-M121 HydrophobicContact CD2-SD 3.71Å; I117-M121 HydrophobicContact CG2-CE 3.55Å; I117-M121 HydrophobicContact CG2-CG 4.01Å; I117-M121 HydrophobicContact CG2-SD 3.58Å; I117-M121 VanDerWaalsContact CG2-SD 3.58Å; I117-M121 WeakPolarHBondContact O-CB 3.36Å; I117-M121 WeakPolarHBondContact O-CG 3.29Å; I117-M121 PolarHBondContact O-N 2.96Å; A118-M121 PolarHBondContact O-N 3.24Å; M121-K123 VanDerWaalsContact C-N 3.26Å; M121-K123 PolarHBondContact O-N 2.9Å; M121-I124 PolarHBondContact O-N 3.08Å; M121-I124 VanDerWaalsContact O-N 3.11Å; M121-V125 WeakPolarHBondContact O-CG2 3.23Å; M121-V125 PolarHBondContact O-N 2.88Å
122V97Very high95.5Very high80 Ų8060.2 Ų60.249%0.48529%0.289SS..Hα-helixtrans-60.3-36.3176.3170.90000111.8F87 A118 K126F87-V122 HydrophobicContact CB-CG2 3.9Å; A118-V122 WeakPolarHBondContact O-CB 3.4Å; A118-V122 VanDerWaalsContact O-CG2 3.3Å; A118-V122 WeakPolarHBondContact O-CG2 3.37Å; A118-V122 PolarHBondContact O-N 3.22Å; V122-K126 PolarHBondContact O-N 3.41Å
123K96.9Very high94.8Very high127 Ų12757.9 Ų57.955%0.55229%0.29SS*.Hα-helixtrans-67-41.4175.3-174.1-172.2-59171.70111.9Q119 L120 M121 K126 Q127Q119-K123 WeakPolarHBondContact O-CB 3.35Å; Q119-K123 PolarHBondContact O-N 3.01Å; L120-K123 WeakPolarHBondContact O-CB 3.29Å; L120-K123 PolarHBondContact O-N 3Å; M121-K123 VanDerWaalsContact C-N 3.26Å; M121-K123 PolarHBondContact O-N 2.9Å; K123-K126 PolarHBondContact O-N 2.86Å; K123-Q127 WeakPolarHBondContact O-CG 3.1Å; K123-Q127 PolarHBondContact O-N 3.34Å
124I97.3Very high93.8Very high2 Ų267.5 Ų67.51%0.0132%0.324CS..Hα-helixtrans-66.9-46.2177.7-66.6167.4000111.2L26 V55 H64 I81 L120 M121 K126 Q127 E128L26-I124 HydrophobicContact CD1-CD1 3.77Å; V55-I124 HydrophobicContact CG1-CD1 3.79Å; H64-I124 HydrophobicContact CB-CG2 3.41Å; H64-I124 VanDerWaalsContact CB-CG2 3.41Å; I81-I124 HydrophobicContact CB-CG2 4.04Å; I81-I124 HydrophobicContact CD1-CD1 4.24Å; I81-I124 HydrophobicContact CD1-CG2 4.25Å; I81-I124 HydrophobicContact CG2-CB 4.15Å; I81-I124 HydrophobicContact CG2-CG2 3.55Å; L120-I124 HydrophobicContact CD1-CD1 3.88Å; L120-I124 HydrophobicContact CD1-CG1 4.23Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CG1 3.27Å; L120-I124 PolarHBondContact O-N 3.19Å; M121-I124 PolarHBondContact O-N 3.08Å; M121-I124 VanDerWaalsContact O-N 3.11Å; I124-K126 VanDerWaalsContact C-N 3.27Å; I124-K126 PolarHBondContact O-N 2.88Å; I124-Q127 WeakPolarHBondContact O-CB 3.35Å; I124-Q127 PolarHBondContact O-N 3.03Å; I124-E128 PolarHBondContact O-N 3.18Å
125V96.1Very high92.1Very high20 Ų2073.6 Ų73.612%0.12135%0.351CS..Hα-helixtrans-54.3-46.5175.4170.20000110.6I81 L85 F87 M121 Q127 E128 A129I81-V125 HydrophobicContact CG2-CG2 3.54Å; L85-V125 HydrophobicContact CB-CG2 4.18Å; L85-V125 WeakPolarHBondContact O-CG1 3.39Å; F87-V125 HydrophobicContact CD2-CG2 3.9Å; F87-V125 HydrophobicContact CE2-CG2 3.64Å; M121-V125 WeakPolarHBondContact O-CG2 3.23Å; M121-V125 PolarHBondContact O-N 2.88Å; V125-Q127 PolarHBondContact O-N 2.92Å; V125-E128 PolarHBondContact O-N 2.88Å; V125-A129 PolarHBondContact O-N 3.29Å
126K94.4Very high89.6Confident134 Ų13473.9 Ų73.958%0.58336%0.358SS*.Hα-helixtrans-60.4-44.8175.6-175.1-178.3174.3-175.60112V122 K123 I124 E128 A129 D130V122-K126 PolarHBondContact O-N 3.41Å; K123-K126 PolarHBondContact O-N 2.86Å; I124-K126 VanDerWaalsContact C-N 3.27Å; I124-K126 PolarHBondContact O-N 2.88Å; K126-E128 VanDerWaalsContact C-N 3.33Å; K126-E128 PolarHBondContact O-N 2.93Å; K126-A129 WeakPolarHBondContact O-CB 3.38Å; K126-A129 PolarHBondContact O-N 3.18Å; K126-D130 WeakPolarHBondContact CE-OD2 3.49Å; K126-D130 PolarHBondContact O-N 3.12Å
127Q93.8Very high87.4Confident104 Ų10475.3 Ų75.349%0.48638%0.38SS..Hα-helixtrans-61.1-39.4179.7-75.5173-40.400112.4K123 I124 V125 H131K123-Q127 WeakPolarHBondContact O-CG 3.1Å; K123-Q127 PolarHBondContact O-N 3.34Å; I124-Q127 WeakPolarHBondContact O-CB 3.35Å; I124-Q127 PolarHBondContact O-N 3.03Å; V125-Q127 PolarHBondContact O-N 2.92Å; Q127-H131 WeakPolarHBondContact O-CB 3.33Å; Q127-H131 PolarHBondContact O-N 3.29Å
128E92.2Very high84.7Confident18 Ų1884 Ų848%0.08442%0.421CS..Hα-helixtrans-75.1-26.9175.9-66.3-76.2-154.100112.8H63 H64 I124 V125 K126 H131 A132H63-E128 VanDerWaalsContact CB-OE1 3.29Å; H63-E128 WeakPolarHBondContact CB-OE1 3.49Å; H63-E128 IonicContact CE1-OE1 3.36Å; H63-E128 IonicContact CE1-OE2 3.97Å; H63-E128 IonicContact CG-OE1 3.77Å; H63-E128 PolarHBondContact N-OE1 3.38Å; H63-E128 IonicContact ND1-OE1 3.3Å; H63-E128 PolarHBondContact ND1-OE1 2.86Å; H63-E128 IonicContact ND1-OE2 2.79Å; H63-E128 PolarHBondContact ND1-OE2 3.12Å; H63-E128 VanDerWaalsContact ND1-OE2 3.12Å; H64-E128 IonicContact CE1-OE1 3.34Å; H64-E128 IonicContact CG-OE1 2.74Å; H64-E128 IonicContact ND1-OE1 3.68Å; H64-E128 PolarHBondContact ND1-OE1 3.29Å; I124-E128 PolarHBondContact O-N 3.18Å; V125-E128 PolarHBondContact O-N 2.88Å; K126-E128 VanDerWaalsContact C-N 3.33Å; K126-E128 PolarHBondContact O-N 2.93Å; E128-H131 IonicContact OE2-CE1 3.03Å; E128-H131 IonicContact OE2-CG 3.35Å; E128-H131 IonicContact OE2-ND1 3.15Å; E128-H131 PolarHBondContact OE2-ND1 2.87Å; E128-A132 VanDerWaalsContact O-CB 3.26Å; E128-A132 WeakPolarHBondContact O-CB 3.43Å; E128-A132 PolarHBondContact O-N 3.49Å
129A91.5Very high83.1Confident38 Ų3894.7 Ų94.731%0.31446%0.46SS..Hα-helixtrans-66.5-48.7168.900000111.9K83 V125 K126 H131 A132 L133K83-A129 HydrophobicContact CB-CB 3.85Å; V125-A129 PolarHBondContact O-N 3.29Å; K126-A129 WeakPolarHBondContact O-CB 3.38Å; K126-A129 PolarHBondContact O-N 3.18Å; A129-H131 VanDerWaalsContact C-N 3.27Å; A129-H131 PolarHBondContact O-N 3.14Å; A129-A132 PolarHBondContact O-N 2.66Å; A129-L133 PolarHBondContact O-N 3.32Å; A129-L133 VanDerWaalsContact O-N 3.12Å
130D90.8Very high80.5Confident84 Ų8494.1 Ų94.145%0.44947%0.465SS..Hα-helixtrans-60.9-36.8175.9-69.1-25.8000111.2K126 R134K126-D130 WeakPolarHBondContact CE-OD2 3.49Å; K126-D130 PolarHBondContact O-N 3.12Å; D130-R134 PolarHBondContact O-N 2.99Å
131H88.1Confident78.3Confident69 Ų6999.1 Ų99.132%0.31949%0.492SS..Hα-helixtrans-72.4-38.6176.8-180-159.5000113.1H63 Q127 E128 A129 R134 K135H63-H131 AromaticContact CE1-CE1 3.29Å; H63-H131 PolarHBondContact CE1-CE1 3.42Å; H63-H131 AromaticContact CE1-ND1 3.69Å; H63-H131 AromaticContact ND1-CE1 3.67Å; H63-H131 AromaticContact ND1-ND1 3.78Å; H63-H131 AromaticContact NE2-CE1 3.78Å; Q127-H131 WeakPolarHBondContact O-CB 3.33Å; Q127-H131 PolarHBondContact O-N 3.29Å; E128-H131 IonicContact OE2-CE1 3.03Å; E128-H131 IonicContact OE2-CG 3.35Å; E128-H131 IonicContact OE2-ND1 3.15Å; E128-H131 PolarHBondContact OE2-ND1 2.87Å; A129-H131 VanDerWaalsContact C-N 3.27Å; A129-H131 PolarHBondContact O-N 3.14Å; H131-R134 PolarHBondContact O-N 3.26Å; H131-K135 PolarHBondContact CE1-NZ 2.99Å; H131-K135 WeakPolarHBondContact NE2-CE 3.26Å; H131-K135 PolarHBondContact NE2-NZ 3.04Å; H131-K135 PolarHBondContact O-N 3.5Å
132A86.4Confident76.7Confident34 Ų34105 Ų10528%0.28153%0.53SS..Hα-helixtrans-64-41175.400000111.6K83 E128 A129 R134 K135 T136K83-A132 HydrophobicContact CD-CB 4.01Å; E128-A132 VanDerWaalsContact O-CB 3.26Å; E128-A132 WeakPolarHBondContact O-CB 3.43Å; E128-A132 PolarHBondContact O-N 3.49Å; A129-A132 PolarHBondContact O-N 2.66Å; A132-R134 VanDerWaalsContact C-N 3.27Å; A132-R134 PolarHBondContact O-N 2.93Å; A132-K135 PolarHBondContact O-N 2.99Å; A132-T136 PolarHBondContact O-N 3.32Å
133L83.1Confident73.9Confident128 Ų128105 Ų10567%0.6755%0.547SS*.Hα-helixtrans-62-33.8176.1-176.761.3000112.5A129 K135 T136A129-L133 PolarHBondContact O-N 3.32Å; A129-L133 VanDerWaalsContact O-N 3.12Å; L133-K135 VanDerWaalsContact C-N 3.27Å; L133-K135 PolarHBondContact O-N 3.22Å; L133-T136 PolarHBondContact O-OG1 2.88Å
134R76.4Confident71.9Confident230 Ų230110 Ų11087%0.86856%0.562SS**THydrogen-bonded Turntrans-79-4.3175.1-70.8-175176.4178.4-0.6114.7D130 H131 A132D130-R134 PolarHBondContact O-N 2.99Å; H131-R134 PolarHBondContact O-N 3.26Å; A132-R134 VanDerWaalsContact C-N 3.27Å; A132-R134 PolarHBondContact O-N 2.93Å
135K63.3Low69.5Low128 Ų128115.3 Ų115.356%0.55759%0.594SS**THydrogen-bonded Turntrans-100-12.7175-79.5176.7168.7166.30113.6H131 A132 L133H131-K135 PolarHBondContact CE1-NZ 2.99Å; H131-K135 WeakPolarHBondContact NE2-CE 3.26Å; H131-K135 PolarHBondContact NE2-NZ 3.04Å; H131-K135 PolarHBondContact O-N 3.5Å; A132-K135 PolarHBondContact O-N 2.99Å; L133-K135 VanDerWaalsContact C-N 3.27Å; L133-K135 PolarHBondContact O-N 3.22Å
136T44.9Very low67Low88 Ų88121.5 Ų121.554%0.5463%0.627SS.*SBendtrans-76.7126164.343.50000109.7A132 L133 E138A132-T136 PolarHBondContact O-N 3.32Å; L133-T136 PolarHBondContact O-OG1 2.88Å; T136-E138 PolarHBondContact O-N 2.97Å
137P52.2Low64.9Low126 Ų126119.1 Ų119.182%0.81864%0.64SS**  trans-75.3100.5-173.929.1-34.5000111.6R139P137-R139 PolarHBondContact O-N 3Å; P137-R139 VanDerWaalsContact O-N 3.14Å
138E41.3Very low62.4Low184 Ų184120.2 Ų120.286%0.8665%0.654SS**  trans-69.5103.8170.7-168.6167.7-173.300109.9T136T136-E138 PolarHBondContact O-N 2.97Å
139R65.3Low60.3Low228 Ų228126.2 Ų126.286%0.8669%0.691SS**  trans-73.3164158.6-80.6-176.4169.4178.9-2.9109.4P137P137-R139 PolarHBondContact O-N 3Å; P137-R139 VanDerWaalsContact O-N 3.14Å
140V44.1Very low58.1Low121 Ų121130.2 Ų130.273%0.73370%0.703SS**  trans83123.2-178.8-173.40000112.6
141D51.6Low56.2Low139 Ų139131.9 Ų131.974%0.74372%0.722SS**  cis-160.5172-21.3-113.3-28.2000109.7G143D141-G143 PolarHBondContact O-N 2.97Å
142P63.6Low55.2Low122 Ų122137.3 Ų137.379%0.79274%0.74SS**  trans-77.9104-164.829.5-35.9000115.7
143G39.2Very low54Low81 Ų81142 Ų14284%0.83577%0.767SS**  trans-95.8101.9170.100000113.9D141D141-G143 PolarHBondContact O-N 2.97Å
144R53.4Low53.6Low233 Ų233142.2 Ų142.288%0.87977%0.768SS**  trans-75.5119.4-175.8-175.7-166.4-173.2173.72.2113.2
145T47.3Very low53.8Low112 Ų112135.2 Ų135.269%0.68775%0.747SS**  164.1147.2125.8370000115.2
146N44.8Very low55Low150 Ų150134.6 Ų134.680%0.80275%0.749SS**  trans55.597.5146.7-57.4-3.7000121.2
147G50.3Low57Low84 Ų84136.2 Ų136.287%0.86675%0.754SS**  92.428.5106.900000119.4
148V40.9Very low58.7Low127 Ų127135 Ų13577%0.7774%0.737SS**  trans-122.8128.9162.6-179.70000109.5E150V148-E150 PolarHBondContact O-N 2.88Å; V148-E150 VanDerWaalsContact O-N 3.09Å
149V48.6Very low61.1Low144 Ų144131 Ų13187%0.87372%0.721SS**  trans-79.888174-179.60000108.9
150E45.3Very low62.1Low122 Ų122125.3 Ų125.357%0.5771%0.707SS**  trans-74.3124.8155.6-72.4-172.1136.500108.8V148 R152V148-E150 PolarHBondContact O-N 2.88Å; V148-E150 VanDerWaalsContact O-N 3.09Å; E150-R152 HydrophobicContact CB-CG 3.94Å; E150-R152 PolarHBondContact O-N 3.29Å; E150-R152 IonicContact OE2-CZ 2.94Å; E150-R152 IonicContact OE2-NE 3.8Å; E150-R152 PolarHBondContact OE2-NE 2.83Å; E150-R152 IonicContact OE2-NH2 4Å; E150-R152 PolarHBondContact OE2-NH2 2.92Å
151S51.2Low64.1Low120 Ų120122.9 Ų122.984%0.83970%0.695SS**  trans-74.563.4171.760.50000110.9
152R66.9Low65.9Low182 Ų182121.6 Ų121.669%0.68768%0.683SS**  trans-64.7137.1170.3-58.1-178.1-178-170.5-0108.1E150 I154E150-R152 HydrophobicContact CB-CG 3.94Å; E150-R152 PolarHBondContact O-N 3.29Å; E150-R152 IonicContact OE2-CZ 2.94Å; E150-R152 IonicContact OE2-NE 3.8Å; E150-R152 PolarHBondContact OE2-NE 2.83Å; E150-R152 IonicContact OE2-NH2 4Å; E150-R152 PolarHBondContact OE2-NH2 2.92Å; R152-I154 PolarHBondContact O-N 2.9Å; R152-I154 VanDerWaalsContact O-N 3.1Å
153P59.8Low67Low132 Ų132118.3 Ų118.386%0.85767%0.667SS**  trans-62.4117173.326.4-32.5000108.5D155P153-D155 PolarHBondContact O-N 3.1Å
154I75.8Confident69.3Low134 Ų134120.6 Ų120.669%0.68765%0.653SS**  trans-70.7115.3-176.7-59.1170.3000108.1R152 I156 L159R152-I154 PolarHBondContact O-N 2.9Å; R152-I154 VanDerWaalsContact O-N 3.1Å; I154-I156 PolarHBondContact O-N 3.05Å; I154-L159 HydrophobicContact CG2-CB 4.25Å; I154-L159 HydrophobicContact CG2-CD2 4.45Å
155D81.1Confident70.9Confident82 Ų82115.1 Ų115.144%0.43964%0.638SS.*  trans-69.1123.1171.5-172.6-7.2000109.2P153 L157 E158 L159P153-D155 PolarHBondContact O-N 3.1Å; D155-L157 PolarHBondContact O-N 3Å; D155-L157 WeakPolarHBondContact OD1-CB 3.15Å; D155-L157 PolarHBondContact OD1-N 2.99Å; D155-E158 HydrophobicContact CB-CB 4.09Å; D155-E158 PolarHBondContact O-N 3.3Å; D155-L159 PolarHBondContact O-N 3.13Å
156I86.8Confident72.8Confident115 Ų115116.4 Ų116.459%0.5964%0.636SS**Hα-helixtrans-62.4-31.6177.9-60.6171.7000110I154 L159 L160I154-I156 PolarHBondContact O-N 3.05Å; I156-L159 PolarHBondContact O-N 3.47Å; I156-L160 HydrophobicContact CG2-CD1 3.84Å; I156-L160 HydrophobicContact CG2-CG 4.23Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 WeakPolarHBondContact O-CG 3.37Å; I156-L160 PolarHBondContact O-N 2.83Å
157L87.4Confident74.7Confident122 Ų122116.4 Ų116.464%0.63963%0.626SS**Hα-helixtrans-69-38.9176.2-60-179.1000112D155 S161D155-L157 PolarHBondContact O-N 3Å; D155-L157 WeakPolarHBondContact OD1-CB 3.15Å; D155-L157 PolarHBondContact OD1-N 2.99Å; L157-S161 VanDerWaalsContact O-CB 3.29Å; L157-S161 WeakPolarHBondContact O-CB 3.48Å; L157-S161 PolarHBondContact O-N 2.89Å; L157-S161 PolarHBondContact O-OG 3.08Å
158E87.6Confident76.3Confident102 Ų102117.7 Ų117.748%0.47761%0.609SS.*Hα-helixtrans-67.7-44174.3-164.6-161.514700110.7D155 S161 K162D155-E158 HydrophobicContact CB-CB 4.09Å; D155-E158 PolarHBondContact O-N 3.3Å; E158-S161 PolarHBondContact O-N 2.9Å; E158-K162 PolarHBondContact O-N 2.69Å; E158-K162 VanDerWaalsContact OE1-CE 3.3Å; E158-K162 WeakPolarHBondContact OE1-CE 3.42Å; E158-K162 IonicContact OE1-NZ 3.42Å; E158-K162 PolarHBondContact OE1-NZ 2.85Å
159L92Very high78.3Confident100 Ų100119.5 Ų119.552%0.52460%0.602SS.*Hα-helixtrans-60-47.5177.9-179.562.9000111.9I154 D155 I156 K162 A163I154-L159 HydrophobicContact CG2-CB 4.25Å; I154-L159 HydrophobicContact CG2-CD2 4.45Å; D155-L159 PolarHBondContact O-N 3.13Å; I156-L159 PolarHBondContact O-N 3.47Å; L159-K162 PolarHBondContact O-N 2.9Å; L159-A163 WeakPolarHBondContact O-CB 3.38Å; L159-A163 PolarHBondContact O-N 2.94Å
160L87Confident79.6Confident108 Ų108116.2 Ų116.257%0.56559%0.59SS**Hα-helixtrans-67.5-34.5177.2-70.3172.5000112.4I156 K164I156-L160 HydrophobicContact CG2-CD1 3.84Å; I156-L160 HydrophobicContact CG2-CG 4.23Å; I156-L160 WeakPolarHBondContact O-CB 3.45Å; I156-L160 WeakPolarHBondContact O-CG 3.37Å; I156-L160 PolarHBondContact O-N 2.83Å; L160-K164 WeakPolarHBondContact O-CB 3.46Å; L160-K164 PolarHBondContact O-N 2.9Å
161S86.6Confident80.8Confident69 Ų69117 Ų11748%0.48359%0.594SS.*Hα-helixtrans-65.8-45.4175.1-610000111.6L157 E158 K164 E165L157-S161 VanDerWaalsContact O-CB 3.29Å; L157-S161 WeakPolarHBondContact O-CB 3.48Å; L157-S161 PolarHBondContact O-N 2.89Å; L157-S161 PolarHBondContact O-OG 3.08Å; E158-S161 PolarHBondContact O-N 2.9Å; S161-K164 WeakPolarHBondContact O-CB 3.43Å; S161-K164 PolarHBondContact O-N 3.37Å; S161-E165 PolarHBondContact O-N 3.3Å
162K88.9Confident81.1Confident113 Ų113115.8 Ų115.849%0.49159%0.585SS.*Hα-helixtrans-62.5-45.9174.3-79.7173.5168.2168.60112.4E158 L159 K164 E165 E166E158-K162 PolarHBondContact O-N 2.69Å; E158-K162 VanDerWaalsContact OE1-CE 3.3Å; E158-K162 WeakPolarHBondContact OE1-CE 3.42Å; E158-K162 IonicContact OE1-NZ 3.42Å; E158-K162 PolarHBondContact OE1-NZ 2.85Å; L159-K162 PolarHBondContact O-N 2.9Å; K162-K164 VanDerWaalsContact C-N 3.27Å; K162-K164 PolarHBondContact O-N 2.72Å; K162-E165 PolarHBondContact O-N 3.45Å; K162-E165 VanDerWaalsContact O-N 3.13Å; K162-E166 PolarHBondContact O-N 3.22Å
163A86.4Confident80.5Confident53 Ų53110 Ų11044%0.43858%0.583SS.*Hα-helixtrans-59.3-38.6177.100000112.2L159 Y167L159-A163 WeakPolarHBondContact O-CB 3.38Å; L159-A163 PolarHBondContact O-N 2.94Å; A163-Y167 VanDerWaalsContact O-CB 3.3Å; A163-Y167 WeakPolarHBondContact O-CB 3.47Å; A163-Y167 PolarHBondContact O-N 3.3Å
164K86.5Confident79.9Confident128 Ų128112.8 Ų112.856%0.55758%0.584SS**Hα-helixtrans-64.8-45.9173179.3-171.5170.5-167.90112.1L160 S161 K162 Y167 Q168L160-K164 WeakPolarHBondContact O-CB 3.46Å; L160-K164 PolarHBondContact O-N 2.9Å; S161-K164 WeakPolarHBondContact O-CB 3.43Å; S161-K164 PolarHBondContact O-N 3.37Å; K162-K164 VanDerWaalsContact C-N 3.27Å; K162-K164 PolarHBondContact O-N 2.72Å; K164-Y167 PolarHBondContact O-N 3.4Å; K164-Q168 WeakPolarHBondContact O-CB 3.19Å; K164-Q168 WeakPolarHBondContact O-CG 3.33Å; K164-Q168 PolarHBondContact O-N 3.35Å
165E87.6Confident78.2Confident118 Ų118112.9 Ų112.955%0.55159%0.592SS**Hα-helixtrans-64.9-40.3178.6-75.6-168.1165.900112.8S161 K162 R169S161-E165 PolarHBondContact O-N 3.3Å; K162-E165 PolarHBondContact O-N 3.45Å; K162-E165 VanDerWaalsContact O-N 3.13Å; E165-R169 WeakPolarHBondContact O-CB 3.37Å; E165-R169 PolarHBondContact O-N 3.39Å
166E87.4Confident76.1Confident139 Ų139115.9 Ų115.965%0.6561%0.607SS**Hα-helixtrans-66.5-42.3175.4-72-168.9140.600111.7K162 R169 A170K162-E166 PolarHBondContact O-N 3.22Å; E166-R169 PolarHBondContact O-N 2.88Å; E166-A170 WeakPolarHBondContact O-CB 3.36Å; E166-A170 PolarHBondContact O-N 3.11Å
167Y85.1Confident73.7Confident150 Ų150116.4 Ų116.459%0.58862%0.616SS**Hα-helixtrans-61.7-45.2175.9-175.9-94.4000112.4A163 K164 A170 Q171A163-Y167 VanDerWaalsContact O-CB 3.3Å; A163-Y167 WeakPolarHBondContact O-CB 3.47Å; A163-Y167 PolarHBondContact O-N 3.3Å; K164-Y167 PolarHBondContact O-N 3.4Å; Y167-A170 PolarHBondContact O-N 3.41Å; Y167-Q171 HydrophobicContact CE1-CG 4.4Å; Y167-Q171 PolarHBondContact O-N 3Å; Y167-Q171 VanDerWaalsContact O-N 3.15Å; Y167-Q171 PolarHBondContact OH-NE2 3.09Å; Y167-Q171 VanDerWaalsContact OH-NE2 3.13Å
168Q82.9Confident71Confident111 Ų111115.5 Ų115.552%0.51962%0.62SS.*Hα-helixtrans-68.3-36.2177.4-70.8-175.6-19.600112K164 Q171 S172K164-Q168 WeakPolarHBondContact O-CB 3.19Å; K164-Q168 WeakPolarHBondContact O-CG 3.33Å; K164-Q168 PolarHBondContact O-N 3.35Å; Q168-Q171 PolarHBondContact O-N 3.37Å; Q168-S172 PolarHBondContact O-N 3.23Å
169R84.2Confident68.5Low166 Ų166115 Ų11563%0.62663%0.633SS**Hα-helixtrans-63.5-43.4173.9-171.2-177.9-52.2-158.82.6111.7E165 E166 Q171 S172E165-R169 WeakPolarHBondContact O-CB 3.37Å; E165-R169 PolarHBondContact O-N 3.39Å; E166-R169 PolarHBondContact O-N 2.88Å; R169-Q171 VanDerWaalsContact C-N 3.34Å; R169-Q171 PolarHBondContact O-N 2.94Å; R169-S172 WeakPolarHBondContact CA-OG 3.38Å; R169-S172 PolarHBondContact O-N 2.93Å; R169-S172 VanDerWaalsContact O-N 3.12Å; R169-S172 PolarHBondContact O-OG 2.94Å
170A75.9Confident65.8Low75 Ų75119.4 Ų119.462%0.6265%0.651SS**Hα-helixtrans-60.9-40.5176.100000112.1E166 Y167 S172 G173E166-A170 WeakPolarHBondContact O-CB 3.36Å; E166-A170 PolarHBondContact O-N 3.11Å; Y167-A170 PolarHBondContact O-N 3.41Å; A170-S172 VanDerWaalsContact C-N 3.29Å; A170-S172 PolarHBondContact O-N 3.45Å; A170-G173 PolarHBondContact O-N 3.34Å
171Q70.1Confident63.2Low137 Ų137122.9 Ų122.964%0.6467%0.669SS**Hα-helixtrans-70.3-19.3175.2-70.2-162.5-15.700114.5Y167 Q168 R169Y167-Q171 HydrophobicContact CE1-CG 4.4Å; Y167-Q171 PolarHBondContact O-N 3Å; Y167-Q171 VanDerWaalsContact O-N 3.15Å; Y167-Q171 PolarHBondContact OH-NE2 3.09Å; Y167-Q171 VanDerWaalsContact OH-NE2 3.13Å; Q168-Q171 PolarHBondContact O-N 3.37Å; R169-Q171 VanDerWaalsContact C-N 3.34Å; R169-Q171 PolarHBondContact O-N 2.94Å
172S57.4Low60.5Low95 Ų95126.3 Ų126.366%0.66468%0.682SS**THydrogen-bonded Turntrans-87.90177.866.90000114.9Q168 R169 A170Q168-S172 PolarHBondContact O-N 3.23Å; R169-S172 WeakPolarHBondContact CA-OG 3.38Å; R169-S172 PolarHBondContact O-N 2.93Å; R169-S172 VanDerWaalsContact O-N 3.12Å; R169-S172 PolarHBondContact O-OG 2.94Å; A170-S172 VanDerWaalsContact C-N 3.29Å; A170-S172 PolarHBondContact O-N 3.45Å
173G54.9Low57.8Low62 Ų62126.3 Ų126.364%0.63969%0.691SS**  trans-115.825.2-15900000117.3A170A170-G173 PolarHBondContact O-N 3.34Å
174E47Very low55.1Low189 Ų189132.7 Ų132.788%0.88371%0.709SS**  trans-135.377.8-176.9-161.4166.2-138.500113.3
175T38.8Very low52.3Low137 Ų137133 Ų13384%0.8472%0.722SS**  trans-137.399.4167.7-54.90000111.4
176D36.6Very low49.5Very low144 Ų144131.7 Ų131.777%0.7773%0.726SS**  trans66130.5154.3-160.421.6000120.9
177V36.4Very low46.7Very low127 Ų127131.1 Ų131.177%0.7773%0.727SS**  -170.1134.2122141.90000111.4
178S30.9Very low44Very low103 Ų103131 Ų13172%0.7274%0.736SS**  trans74.484.1159.7-76.40000121.9
179A35.9Very low41.4Very low92 Ų92135.4 Ų135.476%0.7675%0.754SS**  43.9120.9109.100000123.1
180E35.5Very low38.7Very low192 Ų192131.4 Ų131.490%0.89776%0.756SS**  trans50.4117.3140.7-58.5-156.8128.700123.5
181L31.2Very low37.2Very low181 Ų181133.9 Ų133.995%0.94877%0.766SS**  -151165.2119-144120.3000111.8
182N30.1Very low35.1Very low141 Ų141134.9 Ų134.975%0.75477%0.771SS**  trans-117.8173.7-165.3-174.710.9000113.1
183V32.6Very low34.4Very low113 Ų113136 Ų13669%0.68578%0.776SS**  trans108.786.2154.8-169.80000118.6
184K31Very low33.2Very low187 Ų187135.8 Ų135.881%0.81377%0.768SS**  59.6129.4118.7-170.3-177.7-177.2177.40122.1
185T26.6Very low32.5Very low134 Ų134135.4 Ų135.482%0.82277%0.766SS**  trans150.4151.7139.2-70.70000111
186S27.8Very low31.9Very low90 Ų90133.7 Ų133.763%0.62976%0.759SS**  cis-174.2150.9-40.6-157.70000109.4
187N28.6Very low31.5Very low127 Ų127132.7 Ų132.768%0.67976%0.759SS**  trans75113.3155.4-658.7000124
188N30.1Very low31.4Very low147 Ų147135.3 Ų135.379%0.78676%0.762SS**  73.2154.8127.6-50.9-19.3000119.6
189K28Very low32.1Very low204 Ų204136 Ų13689%0.88777%0.765SS**  cis-153.115716-162.4-170.4175.5-174.30112.3
190A26.7Very low31.7Very low82 Ų82136 Ų13668%0.67876%0.764SS**  trans-95.6-172.1173.400000112.4
191P45Very low31.3Very low127 Ų127133.7 Ų133.783%0.82575%0.753SS**  cis-144.8-173.943.943-21.1000118.7
192E26.9Very low31.3Very low159 Ų159133 Ų13374%0.74374%0.743SS**  trans-85-174.6-177.2-142.2-157.9131.100113.5A194E192-A194 PolarHBondContact OE1-N 3.08Å
193P41.3Very low31.3Very low118 Ų118131 Ų13177%0.76674%0.739SS**  -153.214362.339-16.1000121.1
194A31.2Very low31.2Very low58 Ų58130.3 Ų130.348%0.47974%0.74SS.*  trans70.7155.9135.300000121.5E192E192-A194 PolarHBondContact OE1-N 3.08Å
195H31Very low31.3Very low181 Ų181130.4 Ų130.484%0.83874%0.743SS**  cis-141.4145.110.2-95.7-71.3000114.3
196S27.6Very low31.6Very low100 Ų100130.6 Ų130.670%0.69974%0.744SS**  trans21.8133.2143.9-163.40000120.4
197T27.3Very low31.7Very low124 Ų124135 Ų13576%0.76176%0.757SS**  -169.6154.470.3-58.90000113
198H33.7Very low32.2Very low181 Ų181136 Ų13684%0.83877%0.768SS**  trans-111.1177.6-176.7-78.6-65.1000112.3
199P45.8Very low32.9Very low119 Ų119137.7 Ų137.777%0.77377%0.768SS**  cis-142179.213.943.1-24.1000119.2
200A27.8Very low33.8Very low90 Ų90137 Ų13774%0.74477%0.768SS**  trans110.1147.5138.700000122
201E27.8Very low35.1Very low144 Ų144139.3 Ų139.367%0.67377%0.767SS**  trans78.8104.3159.5-63.5-82.68200122.6
202K30.7Very low35.6Very low167 Ų167137.4 Ų137.473%0.72675%0.754SS**  63.5119.1126-72179.1-175.8122.80124.5
203S29.6Very low36.7Very low98 Ų98135.1 Ų135.169%0.68575%0.75SS**  89.3106.2112.2-173.80000123.1
204S30.7Very low37.6Very low99 Ų99137.8 Ų137.869%0.69275%0.752SS**  79.7132.8126.4-52.40000123.2
205H33.9Very low39Very low190 Ų190142 Ų14288%0.8876%0.762SS**  trans-13.8137.7155.8-51-90.4000119.1
206T32.3Very low40.6Very low138 Ų138139.5 Ų139.585%0.84775%0.754SS**  trans-117.5135.216041.80000111.1
207M30.6Very low41.9Very low181 Ų181142.2 Ų142.289%0.89275%0.754SS**  trans-76.7138.4173.3-69.7173.216600110.7K209M207-K209 PolarHBondContact O-N 3.18Å
208V37.9Very low42.8Very low150 Ų150139.6 Ų139.691%0.90975%0.751SS**  trans-77.8110.8164.6179.30000108.3
209K45.7Very low43.1Very low181 Ų181136.4 Ų136.479%0.78775%0.749SS**PPolyproline II helixtrans-80.4148.7173.4-70.3-179176.5179.80110.5M207M207-K209 PolarHBondContact O-N 3.18Å
210Q45.7Very low42.9Very low190 Ų190136.7 Ų136.789%0.88875%0.751SS**PPolyproline II helixtrans-67.2131.5167.4-71175.2-11000110
211I54.2Low43.4Very low131 Ų131139.6 Ų139.667%0.67275%0.753SS**PPolyproline II helixtrans-71.2131.4168-73.6165.4000108.8E215I211-E215 HydrophobicContact CG2-CB 4.23Å
212T57.1Low43.7Very low87 Ų87138.5 Ų138.553%0.53476%0.759SS.*PPolyproline II helixtrans-91.7154.4173410000111.1E214 E215T212-E214 PolarHBondContact O-N 2.88Å; T212-E214 VanDerWaalsContact O-N 3.12Å; T212-E215 WeakPolarHBondContact O-CB 3.3Å; T212-E215 PolarHBondContact O-N 3.12Å
213V49.7Very low43.9Very low111 Ų111139.7 Ų139.767%0.67376%0.764SS**G310 helixtrans-59.8-29.3-171.5-176.70000112.9E215 L216 F217V213-E215 VanDerWaalsContact C-N 3.25Å; V213-E215 PolarHBondContact O-N 2.76Å; V213-L216 PolarHBondContact O-N 3.19Å; V213-F217 HydrophobicContact CG1-CD2 4.29Å; V213-F217 HydrophobicContact CG1-CE2 4.41Å
214E59.6Low43.7Very low173 Ų173142.6 Ų142.681%0.80877%0.766SS**G310 helixtrans-64.7-25.2178-61.3174.817200113.2T212T212-E214 PolarHBondContact O-N 2.88Å; T212-E214 VanDerWaalsContact O-N 3.12Å
215E60.6Low43.7Very low147 Ų147146.3 Ų146.369%0.68777%0.773SS**G310 helixtrans-80.8-17178.3-130.8176.1-179.200112.7I211 T212 V213I211-E215 HydrophobicContact CG2-CB 4.23Å; T212-E215 WeakPolarHBondContact O-CB 3.3Å; T212-E215 PolarHBondContact O-N 3.12Å; V213-E215 VanDerWaalsContact C-N 3.25Å; V213-E215 PolarHBondContact O-N 2.76Å
216L63.9Low43.4Very low128 Ų128141.9 Ų141.967%0.6776%0.763SS**THydrogen-bonded Turntrans-90.6-24.8-176-17161.9000113.4V213V213-L216 PolarHBondContact O-N 3.19Å
217F55.4Low43.2Very low158 Ų158141 Ų14169%0.69376%0.757SS**SBendtrans-114.474.1-179.3-67.6-81.4000110.3V213V213-F217 HydrophobicContact CG1-CD2 4.29Å; V213-F217 HydrophobicContact CG1-CE2 4.41Å
218G46.7Very low43.2Very low68 Ų68140 Ų14070%0.70175%0.75SS**  trans-58.3153.6-167.400000116.2
219S38.5Very low42.7Very low115 Ų115139.5 Ų139.580%0.80474%0.742SS**  trans-140.5160.6175.3-83.50000110.5
220P42.1Very low41.9Very low124 Ų124135.5 Ų135.581%0.80574%0.743SS**PPolyproline II helixtrans-83.5155.5-14329.5-36.3000117.1
221L38.5Very low41.1Very low152 Ų152130.4 Ų130.480%0.79673%0.733SS**PPolyproline II helixtrans-64.5126.3-176.5-170.286.3000114.2
222P35.4Very low40Very low121 Ų121129.7 Ų129.779%0.78674%0.74SS**PPolyproline II helixtrans-73.9130.1159.4-13.129.6000110.8
223K33.9Very low38.8Very low192 Ų192130.3 Ų130.384%0.83575%0.748SS**PPolyproline II helixtrans-94.9142.2168-96.8-175.8174.4179.90110.3
224E25.2Very low37.9Very low158 Ų158129.6 Ų129.674%0.73875%0.748SS**  trans-150.2178.4164.2-119.6-59.1126.400110
225H30.5Very low36.5Very low178 Ų178126.3 Ų126.382%0.82474%0.744SS**  trans76.1133.3-167.6-51-57.6000116.5
226S27.9Very low35.2Very low96 Ų96125.2 Ų125.267%0.67175%0.753SS**  cis-170.2-165.6-30.1-1560000108.9
227V28.9Very low33.6Very low119 Ų119122.8 Ų122.872%0.72176%0.758SS**  trans79.3122165.1-175.30000114.3
228Q29.6Very low32.3Very low160 Ų160123.2 Ų123.275%0.74877%0.768SS**  cis-156149.910-135.3165.69.300115.8
229N27.7Very low31.8Very low140 Ų140127.8 Ų127.875%0.74978%0.776SS**  trans61.2131.1144-805.3000125.7
230A29.7Very low32.3Very low97 Ų97127.8 Ų127.880%0.80277%0.773SS**  trans71.7135.8134.700000120.5
231A28.8Very low31.8Very low83 Ų83129 Ų12969%0.68677%0.772SS**  cis-166.6160.5-8.600000111.2
232S31.2Very low31.4Very low117 Ų117127.1 Ų127.182%0.81877%0.767SS**  trans58.6146.7161.548.30000119.5
233S31.3Very low31.1Very low100 Ų100131.2 Ų131.270%0.69977%0.768SS**  cis-167.4169.7-1753.10000110.6
234S30.6Very low31.4Very low96 Ų96127.9 Ų127.967%0.67176%0.764SS**  trans61104.1150.554.40000121.3
235S30.3Very low31.5Very low104 Ų104128.5 Ų128.573%0.72777%0.766SS**  77.2130.2122.663.70000124.1
236S32.1Very low31.4Very low124 Ų124126.4 Ų126.487%0.86776%0.762SS**  trans67.3138.6140.661.20000121.3
237G30.6Very low31.7Very low76 Ų76128.8 Ų128.878%0.78476%0.762SS**  trans144.3109.4161.100000114.4
238D29.6Very low32.5Very low168 Ų168129.1 Ų129.190%0.89877%0.767SS**  trans-62.9171.9-171.9-58.9-75.5000118.6
239L34.9Very low32.8Very low164 Ų164130 Ų13086%0.85976%0.764SS**  trans-63.3170.7160.6-72160000111.3
240P49.6Very low33.8Very low114 Ų114129.1 Ų129.174%0.7477%0.766SS**  cis-145.9152.420.540.4-19.9000119.5
241N31Very low34Very low149 Ų149128.6 Ų128.680%0.79776%0.762SS**  58.7161.8129.9-155.316.1000122.8
242V30Very low34.3Very low113 Ų113129.2 Ų129.269%0.68577%0.767SS**  trans80.794.1160.6-165.70000119.8
243Y30.5Very low34.3Very low208 Ų208127.2 Ų127.282%0.81676%0.758SS**  70.1106.1124.5-143.3-97.4000122.8
244V39.4Very low34.6Very low122 Ų122130 Ų13074%0.73976%0.759SS**  trans39.2109.2137.1-168.90000119.7
245Q27.5Very low34.6Very low170 Ų170133.5 Ų133.579%0.79477%0.765SS**  trans-152.4127.6155-161.2160.1-5.300115.9
246N28.3Very low34.6Very low135 Ų135132.6 Ų132.672%0.72276%0.764SS**  trans45.8127.2150.8-58.8-4.5000125.3
247Q33.4Very low35.5Very low145 Ų145131.9 Ų131.968%0.67876%0.756SS**  -3.5158119.8-121.3-172.555.300119.7
248P46.8Very low35.5Very low126 Ų126136 Ų13682%0.81876%0.76SS**  -150.4177.479.939.9-20.6000118.7
249Y34.6Very low35.9Very low178 Ų178135 Ų13570%0.69875%0.754SS**  trans-80171.5176.6-80.3-84.8000114.7
250P50.2Low35.6Very low122 Ų122133.5 Ų133.579%0.79275%0.751SS**  -112.3148.581.5-7.227.9000112.7
251A33.3Very low34.6Very low87 Ų87135.7 Ų135.772%0.71975%0.752SS**  cis76.5129.343.400000113
252A34.9Very low34.6Very low95 Ų95135.3 Ų135.379%0.78575%0.745SS**  cis-151.3-166.41.400000109.2
253A31.9Very low34.7Very low76 Ų76138 Ų13863%0.62875%0.748SS**  cis-162.2166.51000000114.1
254H36.3Very low34.7Very low158 Ų158132.7 Ų132.773%0.73174%0.741SS**  trans28146.1138.4-52-32.2000123.3
255Q31Very low34.2Very low170 Ų170133 Ų13379%0.79474%0.744SS**  cis-159.9165.7-2.4-117.316754.100111.3
256A31.6Very low34.4Very low84 Ų84133 Ų13369%0.69474%0.743SS**  trans-109.6-164.2171.400000108.8
257P49.9Very low34.6Very low110 Ų110132.6 Ų132.671%0.71474%0.741SS**  cis-148.9-171644.3-23000118.4
258L31.1Very low35.1Very low163 Ų163131.2 Ų131.285%0.85374%0.744SS**  trans85.4162.1144.1-87.9169.2000123.3
259L37.1Very low34.3Very low147 Ų147127.6 Ų127.677%0.7773%0.73SS**  trans-96.3148.9-168.8-67.8153.2000112.6
260T28.4Very low34.1Very low131 Ų131125 Ų12580%0.80474%0.738SS**  -177.1134.4111.2270000115.1
261Q30.1Very low33.1Very low161 Ų161129.4 Ų129.475%0.75274%0.739SS**  42.5135.4128-131-171.399.500123.6
262Q31.2Very low33.1Very low141 Ų141133 Ų13366%0.65974%0.741SS**  trans115.6118.5143-64.8-163.2700122.3
263F30.5Very low33Very low170 Ų170137 Ų13775%0.74674%0.743SS**  trans55.4125.8139.1-63.4-58.8000126.2
264S31Very low34Very low96 Ų96137.7 Ų137.767%0.67174%0.741SS**  105.2133.7122.8-84.70000122.8
265T28.3Very low33.8Very low129 Ų129138.8 Ų138.879%0.79175%0.746SS**  trans65.1150.6161.855.40000117.2
266H31.8Very low33.8Very low169 Ų169134.2 Ų134.278%0.78274%0.744SS**  cis-147.5150.417.6-148.8-75.7000111.4
267D32.5Very low34.6Very low126 Ų126136.4 Ų136.467%0.67475%0.751SS**  trans-104.7144163.6174.747.1000108.7G269D267-G269 PolarHBondContact OD1-N 2.91Å
268P43.9Very low33.7Very low116 Ų116135.1 Ų135.175%0.75375%0.75SS**  -147.9115.9110.733.6-15000114.8
269G30.2Very low33.9Very low50 Ų50135.5 Ų135.552%0.51575%0.747SS.*  71.9119.797.300000120.4D267D267-G269 PolarHBondContact OD1-N 2.91Å
270S30.9Very low33.9Very low123 Ų123135.9 Ų135.986%0.8675%0.749SS**  trans88.8131.8141.8-66.10000122.7
271R28.6Very low34.6Very low216 Ų216135.6 Ų135.682%0.81575%0.749SS**  trans98.8134.5139.5-89-176.5174.8-159-0.5121.8
272Q33.7Very low34.9Very low162 Ų162132.3 Ų132.376%0.75775%0.749SS**  trans83.792.8143.8-75169-21.900121
273Q32.7Very low35.8Very low178 Ų178130.4 Ų130.483%0.83275%0.749SS**  -51167.9125.3-104.9-175.50.200112.4
274P52.9Low35.9Very low91 Ų91133.1 Ų133.159%0.59176%0.756SS**  cis-134.9-154.51.137.7-16.6000114.1
275H33Very low36Very low182 Ų182133.3 Ų133.384%0.84376%0.763SS**  trans104.3132.3166.2-53.8-68.7000117.2
276G30Very low36.4Very low73 Ų73135.8 Ų135.875%0.75377%0.77SS**  trans-119.1-146.7168.900000110.2
277P49Very low36.4Very low130 Ų130134.4 Ų134.484%0.84477%0.769SS**  cis-140.2-1693.841.9-22.8000115.8
278A31.5Very low37.4Very low83 Ų83133.7 Ų133.769%0.68677%0.771SS**  trans106.6149.814500000122.1
279H34.6Very low37Very low172 Ų172133.3 Ų133.380%0.79677%0.771SS**  trans60.9100.2170.2-65.5-79000119.7
280I37.1Very low38.2Very low155 Ų155136.5 Ų136.580%0.79578%0.783SS**  53.7123.177.6-66.2-179.9000112.3
281P43.8Very low38.4Very low125 Ų125136.3 Ų136.381%0.81278%0.776SS**  cis-133.3170.244.727.8-5.2000118.8
282A35.5Very low38.9Very low92 Ų92134 Ų13476%0.7677%0.772SS**  trans-100.1177.317000000110.5
283P49.4Very low38.9Very low101 Ų101132.8 Ų132.866%0.65677%0.765SS**  -130.9-179.450.534-12.9000113.2
284Y34.1Very low39Very low227 Ų227131.2 Ų131.289%0.8976%0.757SS**  cis-135.6155.111.1-76.2-96.5000111.2
285A31.8Very low38.1Very low99 Ų99134.7 Ų134.782%0.81877%0.767SS**  trans-150.4136.5158.400000110.3
286L36.6Very low38.5Very low181 Ų181131.8 Ų131.895%0.94876%0.762SS**  trans-90.7139.7171.6-78.2168.4000110
287N33.5Very low39.6Very low141 Ų141133.6 Ų133.675%0.75476%0.761SS**  trans-119.2126.3-168.4-171.223.3000111.3
288P52.8Low38.8Very low110 Ų110136 Ų13671%0.71476%0.763SS**  trans-83.8140.7171.633.8-33.6000111.5
289S35.6Very low39.6Very low108 Ų108137.3 Ų137.376%0.75576%0.764SS**  trans-159.2158.2170.1-780000113.6
290P54.3Low39.8Very low117 Ų117135.8 Ų135.876%0.7676%0.762SS**  trans-133.3164-165.541.5-24.1000118.3
291V35.5Very low40.2Very low119 Ų119133.8 Ų133.872%0.72176%0.759SS**  trans76.2152.4139.91580000122.2
292F39.2Very low39.9Very low167 Ų167135 Ų13573%0.73275%0.754SS**  trans97.6151.7175.8-63.4-31000116
293K35.1Very low40.4Very low138 Ų138136.3 Ų136.360%0.676%0.755SS**  cis-170.1168.6-8.3-106.4171.5178.1140.30108.7
294H34.8Very low39.6Very low144 Ų144139 Ų13967%0.66776%0.758SS**  cis-165.8155.4-11.6-123.9-14.1000110.3
295M33.8Very low39.3Very low164 Ų164133.9 Ų133.981%0.80875%0.754SS**  trans66157148.2-69.2178.4125.900119.5
296V40.8Very low39.6Very low121 Ų121134.1 Ų134.173%0.73375%0.75SS**  cis-148.5165.85.3104.10000110.8
297P53.3Low39.4Very low111 Ų111132.1 Ų132.172%0.72175%0.745SS**  trans-116.4172.4-162.142.6-33.5000117.8
298M32.4Very low39.4Very low182 Ų182130.6 Ų130.690%0.89775%0.745SS**  trans-156.2170.8164.1-95.7-72.1-77.200109.3
299P46.9Very low39Very low110 Ų110131.7 Ų131.771%0.71475%0.752SS**  trans-125.9-172.2-135.645.8-34.1000118
300D39.6Very low38.7Very low139 Ų139134 Ų13474%0.74376%0.755SS**  trans-73.9158.5-176.9-171.147.2000115.9
301P44.7Very low37.7Very low113 Ų113135.9 Ų135.973%0.73476%0.758SS**  trans-138.9136.314636.6-21.8000116
302Q39.4Very low37.7Very low150 Ų150139.3 Ų139.370%0.70177%0.769SS**  trans-73.2165.1165.1-70.6-155.1-3600113.9
303P44.3Very low37.3Very low120 Ų120135.3 Ų135.378%0.77977%0.766SS**  trans-124.6118.7154.135.4-21.9000114.3
304H33.4Very low37.9Very low158 Ų158134.7 Ų134.773%0.73178%0.776SS**  trans-140.1129.1157.6-74.2-63.3000109.1
305C27.5Very low37.6Very low120 Ų120132.5 Ų132.581%0.81178%0.783SS**  trans166.1113.6139.3-88.70000113.8
306S38.5Very low37.3Very low104 Ų104128.4 Ų128.473%0.72778%0.784SS**  38.6157.7129.157.70000125.5
307V31.9Very low37Very low139 Ų139128.6 Ų128.684%0.84279%0.79SS**  trans89.8130.5160-162.70000117.6
308S34.6Very low36Very low109 Ų109131.2 Ų131.276%0.76279%0.793SS**  trans-104.3156.7177-44.40000112.3
309P43.6Very low36.2Very low132 Ų132131 Ų13186%0.85779%0.789SS**  trans-117.1178.8150.635.8-25.8000113
310L29.2Very low35.6Very low157 Ų157133.7 Ų133.782%0.82279%0.792SS**  trans-113.4169.3-164.7-148.881.4000112.6
311L34.2Very low35.3Very low156 Ų156134.8 Ų134.882%0.81780%0.798SS**  trans71.3123.9167.7-52.3170.5000115.8
312M34.3Very low34.7Very low191 Ų191135.9 Ų135.994%0.94180%0.797SS**  -158.616767.2-114.9-174.8169.800113.6
313A32Very low34.5Very low83 Ų83136 Ų13669%0.68680%0.802SS**  trans-106.1161168.200000111.2
314P46.4Very low33.9Very low125 Ų125136.5 Ų136.581%0.81280%0.803SS**  -124.8153.596.44.517.2000111.6
315A29Very low34Very low98 Ų98133 Ų13381%0.8180%0.801SS**  cis98.5128.635.200000113.4
316G27.8Very low34.9Very low79 Ų79133.2 Ų133.281%0.81480%0.801SS**  trans98.8133.4-171.200000112.7
317S34.9Very low34.5Very low124 Ų124132.5 Ų132.587%0.86780%0.802SS**  cis-151.4165.1-5.852.80000112.1
318E31.9Very low34.6Very low167 Ų167130 Ų13078%0.7880%0.796SS**  trans-69.9156.4-165.7-46.1167.6117.800115.8
319H37Very low35.3Very low178 Ų178130.3 Ų130.382%0.82480%0.795SS**  -170.5156.2109-105.436.4000113.7
320H34.1Very low34.8Very low165 Ų165129.2 Ų129.276%0.76479%0.791SS**  trans-89.6146.8179-88.678.1000112.5
321N32.6Very low35Very low163 Ų163126.8 Ų126.887%0.87279%0.793SS**  -172.4175.2110-99.9-45.8000113.7
322N32.2Very low35.1Very low135 Ų135123.8 Ų123.872%0.72279%0.791SS**  trans-119163.3-151.7-112.8-26.4000115
323L34.8Very low35.1Very low154 Ų154124.1 Ų124.181%0.80679%0.787SS**  trans71.6144.2164.8-60.7149.5000115.8
324T31.6Very low35.2Very low129 Ų129127.9 Ų127.979%0.79180%0.795SS**  cis-147.1155.310.3-27.60000111.8
325A35.9Very low34.4Very low84 Ų84125.3 Ų125.369%0.69479%0.792SS**  trans-104.2-164.9166.600000110.1
326P47.4Very low34.5Very low125 Ų125129.2 Ų129.281%0.81279%0.793SS**  cis-98.2-159.17.143.6-36.2000111.9
327A29.1Very low34.6Very low89 Ų89131.7 Ų131.774%0.73679%0.788SS**  cis-144.9161.96.500000110
328A33.9Very low34.6Very low87 Ų87132.4 Ų132.472%0.71978%0.78SS**  cis95.8142.223.600000114.2
329P50.2Low34.6Very low115 Ų115131.6 Ų131.675%0.74779%0.786SS**  -147.9-170.1-101.841.9-20.9000117.7
330S32.2Very low34.3Very low110 Ų110126.8 Ų126.877%0.76979%0.785SS**  trans83.8128.7138.9-72.30000123.8
331A33.2Very low34.3Very low106 Ų106124.6 Ų124.688%0.87679%0.788SS**  trans77.2159.913100000120.8
332A37.5Very low34.1Very low92 Ų92124.7 Ų124.776%0.7679%0.788SS**  trans-125.7159-179.500000110.1
333F32.6Very low34.1Very low199 Ų199126.8 Ų126.887%0.87379%0.791SS**  trans-163.9145152.2-131.3-115000111.9
334L34Very low34.3Very low161 Ų161125.2 Ų125.284%0.84379%0.79SS**  trans35.8129.5144.1-161.773.4000122.1
335G29.6Very low34.1Very low72 Ų72123.1 Ų123.174%0.74279%0.785SS**  trans-172.6150.7161.700000112.8
336Q31.7Very low34Very low180 Ų180124.1 Ų124.184%0.84179%0.793SS**  trans-123.6164.1-178.2-82.2-176.8-30.900113
337D31Very low33Very low131 Ų131124.3 Ų124.370%0.70180%0.798SS**  trans85.3125.4146.5-77.9-13.6000124.7
338I33.8Very low33.1Very low139 Ų139125.6 Ų125.671%0.71380%0.801SS**  trans52.6106.5132.7-48.5161.3000119.3
339V32.7Very low32.8Very low149 Ų149130.5 Ų130.590%0.90381%0.812SS**  -176.5163.7109.2-87.70000110.3
340G30.2Very low31.9Very low78 Ų78132.3 Ų132.380%0.80482%0.815SS**  trans12774.1156.700000117.2
341S33.1Very low32Very low119 Ų119132.7 Ų132.783%0.83282%0.818SS**  trans-77142161.3177.20000110.5
342L28.8Very low31.7Very low164 Ų164130.8 Ų130.886%0.85981%0.809SS**  trans-167.4132.7146.8-109.2166.3000112.6
343K33.4Very low31.6Very low180 Ų180134 Ų13478%0.78381%0.811SS**  trans-144.9133165.2-179-172.9179.6-176.50108.2
344P37.9Very low31.8Very low121 Ų121132.9 Ų132.979%0.78681%0.808SS**  trans-130.4-168.7133.226.5-9000111.1
345A28.1Very low32.1Very low84 Ų84134.9 Ų134.969%0.69481%0.81SS**  trans-130.3159.2-165.800000114.2
346A32.6Very low32.4Very low105 Ų105137.3 Ų137.387%0.86881%0.813SS**  trans43.3127146.700000121
347S28.4Very low32.5Very low129 Ų129137 Ų13790%0.90282%0.815SS**  trans-138.5139.715158.60000109.5
348S30.5Very low32.6Very low116 Ų116138.5 Ų138.581%0.81182%0.822SS**  trans-125.3141.2-177.7175.70000110.5
349M28.1Very low32.8Very low191 Ų191136 Ų13694%0.94182%0.822SS**  trans-157.3166.2156.7-110.7168.877.300110.3
350N31.3Very low32.8Very low153 Ų153135.1 Ų135.182%0.81882%0.82SS**  trans-136.8179.1-147.6-162.30.6000113.1
351S33.7Very low33.1Very low117 Ų117136.3 Ų136.382%0.81882%0.816SS**  trans78.5138.2-177.377.20000115.8
352G26.9Very low33.6Very low67 Ų67139 Ų13969%0.69181%0.813SS**  cis171-174.6-8.900000113.7
353I35.7Very low34.1Very low158 Ų158138 Ų13881%0.8181%0.808SS**  trans90.2115.3164.3-54173.7000117.8
354H35.8Very low34.3Very low176 Ų176135.4 Ų135.482%0.81581%0.809SS**  trans39.2117161.9-55.6-49000123.6
355K40.7Very low34.1Very low203 Ų203134.1 Ų134.188%0.88380%0.803SS**  trans-139.1150.8141.7-70.6-170.7179.4-1790109.4
356P36.8Very low34.6Very low124 Ų124136 Ų13681%0.80581%0.806SS**PPolyproline II helixtrans-73.6161.3178.330.9-35.3000112.8
357I33.4Very low34.8Very low172 Ų172135.6 Ų135.688%0.88279%0.789SS**PPolyproline II helixtrans-76.2126.7-175.3-65.5168.1000110.5
358L33.4Very low35.5Very low163 Ų163135 Ų13585%0.85378%0.779SS**PPolyproline II helixtrans-88.4159.2166.2-82.1163.8000110.8
359A36.6Very low36.3Very low86 Ų86133.3 Ų133.371%0.71177%0.766SS**PPolyproline II helixtrans-55.8152.8-176.400000113.2S361A359-S361 PolarHBondContact O-N 3.41Å
360P34.2Very low36.9Very low131 Ų131126.9 Ų126.985%0.85174%0.739SS**PPolyproline II helixtrans-58.7125-175.723.3-34.2000111.8
361S35Very low37.8Very low104 Ų104127.2 Ų127.273%0.72774%0.735SS**PPolyproline II helixtrans-57.9136.4-179.751.80000112.4A359 L363A359-S361 PolarHBondContact O-N 3.41Å; S361-L363 PolarHBondContact O-N 3.49Å
362F43.6Very low38.4Very low175 Ų175127 Ų12777%0.76873%0.734SS**PPolyproline II helixtrans-47.4125.4169-70-95.9000111
363L39.9Very low39.6Very low143 Ų143128.9 Ų128.975%0.74972%0.723SS**PPolyproline II helixtrans-68.7141.4172.8-66.4174.8000109.6S361 S365S361-L363 PolarHBondContact O-N 3.49Å; L363-S365 PolarHBondContact O-N 2.88Å
364P37Very low40.1Very low125 Ų125128.7 Ų128.781%0.81272%0.719SS**  trans-76.664.6178.233.4-36.6000111.2T366P364-T366 PolarHBondContact O-N 3.41Å
365S33.7Very low40.5Very low94 Ų94128.8 Ų128.866%0.65772%0.719SS**  trans-66.8112.9167.7-68.60000108.9L363 L367L363-S365 PolarHBondContact O-N 2.88Å; S365-L367 PolarHBondContact O-N 3.3Å
366T38.7Very low40.4Very low124 Ų124124.4 Ų124.476%0.76171%0.712SS**  trans-67.493.5173.748.60000109.7P364 V368P364-T366 PolarHBondContact O-N 3.41Å; T366-V368 VanDerWaalsContact C-N 3.29Å; T366-V368 PolarHBondContact O-N 2.92Å
367L37.2Very low40.3Very low96 Ų96127.7 Ų127.750%0.50371%0.713SS.*  trans-68.788.3170.1-70.8173.9000109.1L95 S365L95-L367 HydrophobicContact CD2-CD1 4.39Å; S365-L367 PolarHBondContact O-N 3.3Å
368V42.9Very low40.5Very low116 Ų116128.1 Ų128.170%0.70371%0.709SS**PPolyproline II helixtrans-77.9133.1170.2-176.80000108T366T366-V368 VanDerWaalsContact C-N 3.29Å; T366-V368 PolarHBondContact O-N 2.92Å
369P47.3Very low40.6Very low81 Ų81127.7 Ų127.753%0.52671%0.707SS.*PPolyproline II helixtrans-56.6142.3174.8-26.135.1000112F373P369-F373 HydrophobicContact CB-CD2 4.48Å
370P41.5Very low40.8Very low57 Ų57129.5 Ų129.537%0.3771%0.709SS.*PPolyproline II helixtrans-63.4153.318026.2-34000111.8S372 F373P370-S372 PolarHBondContact O-N 2.9Å; P370-F373 HydrophobicContact CG-CD2 4.21Å; P370-F373 HydrophobicContact CG-CE2 4.17Å; P370-F373 PolarHBondContact O-N 3.23Å
371H49.3Very low41Very low159 Ų159132.7 Ų132.774%0.73671%0.71SS**G310 helixtrans-61.1-14.8-169.2-119-73.5000115.2F373 Q374H371-F373 PolarHBondContact O-N 2.65Å; H371-F373 VanDerWaalsContact O-N 3.11Å; H371-Q374 PolarHBondContact O-N 3.26Å
372S46Very low40.9Very low114 Ų114133.5 Ų133.580%0.79772%0.716SS**G310 helixtrans-61.3-11.6176.7-46.90000115P370P370-S372 PolarHBondContact O-N 2.9Å
373F53.2Low40.4Very low106 Ų106134.1 Ų134.147%0.46572%0.721SS.*G310 helixtrans-90.112.9-179.7-76.5-80.2000115.2F93 P369 P370 H371F93-F373 HydrophobicContact CE1-CZ 4.46Å; F93-F373 HydrophobicContact CZ-CE1 4.19Å; F93-F373 HydrophobicContact CZ-CZ 4.11Å; P369-F373 HydrophobicContact CB-CD2 4.48Å; P370-F373 HydrophobicContact CG-CD2 4.21Å; P370-F373 HydrophobicContact CG-CE2 4.17Å; P370-F373 PolarHBondContact O-N 3.23Å; H371-F373 PolarHBondContact O-N 2.65Å; H371-F373 VanDerWaalsContact O-N 3.11Å
374Q45.6Very low40.1Very low154 Ų154132.9 Ų132.972%0.7272%0.722SS**  trans-96.584.9170.8-69.9-167.6200112.2H371H371-Q374 PolarHBondContact O-N 3.26Å
375E44.8Very low40.2Very low178 Ų178132.9 Ų132.983%0.83272%0.722SS**  trans-69.1137.4164.3-68.8-169.5129.400111K377E375-K377 PolarHBondContact O-N 2.95Å; E375-K377 VanDerWaalsContact O-N 3.13Å
376P38.1Very low40.2Very low111 Ų111138.5 Ų138.572%0.72173%0.734SS**  trans-74.5106.1-179.729.4-33.9000110.9K378P376-K378 PolarHBondContact O-N 2.96Å; P376-K378 VanDerWaalsContact O-N 3.13Å
377K35Very low39.9Very low192 Ų192140.2 Ų140.284%0.83574%0.738SS**  trans-51.2119.1171.1-71.7-175.4177.4-177.60111E375E375-K377 PolarHBondContact O-N 2.95Å; E375-K377 VanDerWaalsContact O-N 3.13Å
378K38.8Very low39.8Very low181 Ų181143.1 Ų143.179%0.78775%0.752SS**  trans-119.185.1166.7-74.1-176.4177.8176.70108.9P376 V380P376-K378 PolarHBondContact O-N 2.96Å; P376-K378 VanDerWaalsContact O-N 3.13Å; K378-V380 PolarHBondContact O-N 3.3Å
379D35.5Very low39.1Very low155 Ų155141.6 Ų141.683%0.82975%0.752SS**  trans-61.7102.3167.3-73.4-74.9000109.4
380V39.2Very low38.9Very low124 Ų124143.1 Ų143.175%0.75276%0.762SS**  trans-128.5138.3171.7177.50000107.7K378K378-V380 PolarHBondContact O-N 3.3Å
381F38.7Very low38.4Very low197 Ų197149 Ų14986%0.86479%0.786SS**  trans78.273.9175.4-124.7-88.7000117.5
382S33.1Very low37.6Very low121 Ų121146.9 Ų146.985%0.84679%0.79SS**  trans-158.982.6153.9-84.10000112.9
383Q34Very low36.8Very low188 Ų188145.9 Ų145.988%0.87979%0.788SS**  trans-145.3135.9158.1-77-159.3-7.300111.4
384P33.7Very low35.9Very low118 Ų118148 Ų14877%0.76680%0.803SS**  trans-88157172.835.5-34.2000112.5
385P38.8Very low35.2Very low124 Ų124146.9 Ų146.981%0.80581%0.809SS**  trans-82.3154.7-170.933-36.8000114.8
386K32.1Very low34.6Very low213 Ų213146.6 Ų146.693%0.92681%0.809SS**  trans-137.6165.2162-73.1-165.4176.3-176.50111.2
387L33.6Very low34.6Very low159 Ų159147.1 Ų147.183%0.83282%0.816SS**  trans-93.6142.6-158.8-65.6156.7000114.6
388I34.4Very low35Very low158 Ų158144.3 Ų144.381%0.8182%0.817SS**  19.9133.4127.9-62.5167.7000116.4
389A29.1Very low34.4Very low84 Ų84139 Ų13969%0.69481%0.814SS**  cis-174.6-152.1-6.100000106.2
390P43.4Very low34.1Very low112 Ų112140.2 Ų140.273%0.72782%0.819SS**  cis-131.1171-16.823.62.2000117
391M31.4Very low33.7Very low180 Ų180138.6 Ų138.689%0.88782%0.819SS**  trans-31.3149.617661.3-162.271.900123.3
392S32.3Very low33.4Very low116 Ų116135.8 Ų135.881%0.81182%0.818SS**  trans-156.3104.3149.3-171.90000107.9
393A28.2Very low33.8Very low92 Ų92136.1 Ų136.176%0.7682%0.817SS**  89.2124.789.300000114.1
394I34.4Very low33.5Very low152 Ų152130.9 Ų130.978%0.77981%0.814SS**  trans-108.2149-176.6-65155.4000109.8M396I394-M396 HydrophobicContact CG2-CG 3.82Å
395P31.5Very low33.7Very low130 Ų130130.8 Ų130.884%0.84482%0.816SS**  trans-118.2130.2142.42.818.4000111.8
396M30.7Very low33.5Very low171 Ų171132.8 Ų132.884%0.84282%0.82SS**  trans-102.9155166.8-66.8-162.2-65.100110.4I394I394-M396 HydrophobicContact CG2-CG 3.82Å
397S38.8Very low33.6Very low123 Ų123127 Ų12786%0.8681%0.811SS**  trans-154.2152.6158.5-79.50000110.8
398P42.8Very low33.6Very low133 Ų133124.9 Ų124.986%0.86481%0.81SS**  trans-132.1171.3-142.940-23.4000116.9
399G27.6Very low33.7Very low70 Ų70123.7 Ų123.772%0.72281%0.81SS**  trans113.9154.2165.100000114.3
400L29.1Very low34Very low179 Ų179127.6 Ų127.694%0.93782%0.818SS**  cis-164.5165.8-10.3-131.8167.7000109.1
401A29.6Very low33.7Very low91 Ų91130.2 Ų130.275%0.75283%0.825SS**  trans81.7148.6166.800000120.4
402V32.2Very low33.9Very low138 Ų138127.1 Ų127.184%0.83682%0.822SS**  trans-161.7156.1-171.8160.20000104
403P41.8Very low34.1Very low127 Ų127128 Ų12883%0.82582%0.824SS**  cis-125.6-173.26.230.1-7.8000114.6
404G28.9Very low34.7Very low78 Ų78129.7 Ų129.780%0.80483%0.83SS**  trans-175.5118159.900000112.1
405S36.7Very low34.6Very low117 Ų117126.3 Ų126.382%0.81883%0.826SS**  trans-96.9149.3172.1-56.70000110.1
406D34.9Very low34.9Very low166 Ų166128.7 Ų128.789%0.88882%0.823SS**  -167.2160.9125.7-118.6-32.2000116.5
407A33.8Very low35Very low90 Ų90129.9 Ų129.974%0.74483%0.826SS**  trans37.7130.8152.900000123.8
408S34.7Very low34.9Very low115 Ų115132.1 Ų132.180%0.80482%0.823SS**  trans-54.6159.8160.1-41.50000115.3
409V36.3Very low34.4Very low134 Ų134132.1 Ų132.181%0.81282%0.821SS**  -174.7149.8117.5142.30000111.9
410L34.6Very low34.5Very low166 Ų166135.6 Ų135.687%0.86983%0.828SS**  trans-74.5137.1174.9-65.7159.5000111.9
411L37.5Very low34.5Very low166 Ų166132.4 Ų132.487%0.86982%0.821SS**  trans-140.9125.5163.8-75.9178000112.1
412S34.8Very low34.7Very low116 Ų116137.1 Ų137.181%0.81183%0.825SS**  trans-90133.3169.8-57.20000110.3S414S412-S414 PolarHBondContact O-N 3.32Å
413P36.7Very low34.4Very low134 Ų134136.5 Ų136.587%0.8782%0.821SS**  trans-81.9107.9176.929.7-28.7000110.9
414S41.8Very low33.9Very low127 Ų127135.7 Ų135.789%0.88881%0.814SS**  trans-105.6114.2164.6-173.10000108.8S412S412-S414 PolarHBondContact O-N 3.32Å
415A31.8Very low33.9Very low82 Ų82138 Ų13868%0.67881%0.813SS**  trans-147.7105.5-173.900000111.5
416F37.5Very low33.8Very low179 Ų179138.7 Ų138.779%0.78581%0.812SS**  166.997.5127.3-103.6-80000109.7Q418F416-Q418 HydrophobicContact CD1-CG 4.1Å; F416-Q418 HydrophobicContact CE1-CG 4.45Å
417Q34Very low34.5Very low196 Ų196135.9 Ų135.992%0.91680%0.802SS**  trans-107.5133.3150.6-71.1-163.491.700107.3
418Q36.9Very low34.3Very low171 Ų171137.8 Ų137.880%0.79981%0.805SS**  trans-107.3136.3168.4-66.8-167.713.400109.3F416F416-Q418 HydrophobicContact CD1-CG 4.1Å; F416-Q418 HydrophobicContact CE1-CG 4.45Å
419T32.1Very low34.3Very low132 Ų132139.6 Ų139.681%0.8180%0.804SS**  trans-98.8136.2-175.942.70000111.4
420T29Very low34.6Very low143 Ų143138.4 Ų138.488%0.87780%0.799SS**  trans-99.8149.5165.652.50000110.1
421S30Very low34.5Very low113 Ų113135.8 Ų135.879%0.7979%0.794SS**  trans-114.4115.5-169.8-720000113.5
422K32.8Very low34.5Very low190 Ų190132.2 Ų132.283%0.82679%0.789SS**  trans60117.9137.9-171.3-176.2-179.2-176.80118.9
423T25.6Very low35.8Very low124 Ų124132.1 Ų132.176%0.76179%0.785SS**  -168.7141.4107-73.90000112.7
424T31.5Very low35.5Very low110 Ų110133.5 Ų133.568%0.67579%0.785SS**  trans-39147.2169.6-24.40000113.3
425T28.7Very low35Very low127 Ų127134.3 Ų134.378%0.77978%0.779SS**  -165.8171.455-45.20000112.4
426V35.2Very low36.3Very low131 Ų131136 Ų13679%0.79478%0.783SS**  trans-134.2159.1-171.3162.80000108.1
427P49.5Very low36Very low107 Ų107132.2 Ų132.270%0.69578%0.779SS**  cis-129.31797.125.8-1.7000116.3
428V28.8Very low36.1Very low131 Ų131128.2 Ų128.279%0.79477%0.772SS**  163.2143.4117.2161.50000111.3
429I34.5Very low35.9Very low153 Ų153124.3 Ų124.379%0.78577%0.769SS**  trans-137.2137.6-179.7-74.6174000104.7
430P44.6Very low36Very low108 Ų108124.3 Ų124.370%0.70178%0.775SS**  -147.1164.659.335.1-12.4000119.8
431S30.9Very low36Very low111 Ų111120.8 Ų120.878%0.77677%0.767SS**  16.1147.1129.1-45.40000121.2
432A38.1Very low36.1Very low92 Ų92127 Ų12776%0.7677%0.773SS**  cis-154.5-125.3-8.800000113
433P62.8Low36.3Very low113 Ų113122.4 Ų122.473%0.73477%0.771SS**  trans-122.4172.3-130.838.5-20.1000116.5
434L28.8Very low36.7Very low164 Ų164120.8 Ų120.886%0.85977%0.77SS**  171158129.4-92161000114.6
435D32.4Very low37.4Very low143 Ų143125.3 Ų125.377%0.76578%0.783SS**  trans-74.1-170.9174.5-68.4-81.3000114.9
436P58.2Low37.6Very low117 Ų117125.1 Ų125.176%0.7678%0.782SS**  cis-136.2-175.6-28.225.3-2.2000115.2
437S30.8Very low38Very low100 Ų100127 Ų12770%0.69979%0.787SS**  trans94.8132134.4-153.40000122.5
438S36.1Very low37.6Very low112 Ų112131.1 Ų131.178%0.78380%0.797SS**  trans70.5143.9144-67.80000121.1
439A33.6Very low38.8Very low89 Ų89129 Ų12974%0.73679%0.792SS**  cis-164.6162.8-9.700000113.3
440S34.8Very low39.8Very low132 Ų132127.6 Ų127.692%0.92379%0.794SS**  trans69.7141.7159-155.20000119.1
441G28.5Very low40.6Very low69 Ų69125.9 Ų125.971%0.71178%0.783SS**  trans-171.4-25.7-176.100000120.1
442R32.6Very low43.4Very low245 Ų245123.1 Ų123.193%0.92576%0.764SS**  trans67.4135.3170.2-165.3-177.7-176.1-171.82.2119
443A37Very low45.8Very low93 Ų93127 Ų12777%0.76976%0.764SS**  trans63.4104.4156.600000121
444A33.9Very low47.1Very low90 Ų90126.2 Ų126.274%0.74476%0.757SS**  -148.2129.7120.800000109T446A444-T446 PolarHBondContact O-N 3.43Å
445E45.7Very low50Low204 Ų204123.7 Ų123.795%0.95374%0.74SS**  trans-79.4114.2166.3-71.5177.8117.600108.4
446T33.7Very low52.9Low123 Ų123121.1 Ų121.176%0.75573%0.727SS**  trans-113.4112.2172.4-540000108.4A444 Q448A444-T446 PolarHBondContact O-N 3.43Å; T446-Q448 PolarHBondContact O-N 2.95Å
447L42.1Very low54.6Low171 Ų171121 Ų12190%0.89572%0.716SS**PPolyproline II helixtrans-55.4124178.5-66.6167.8000110A449L447-A449 PolarHBondContact O-N 3.27Å
448Q42.1Very low57.4Low194 Ų194121.3 Ų121.391%0.90771%0.706SS**PPolyproline II helixtrans-64125.5179.6-72.8-179.2-34.400110.3T446T446-Q448 PolarHBondContact O-N 2.95Å
449A52.9Low60.1Low85 Ų85119.2 Ų119.270%0.70269%0.689SS**PPolyproline II helixtrans-61.9145168.200000109.9L447 C451L447-A449 PolarHBondContact O-N 3.27Å; A449-C451 PolarHBondContact O-N 3.49Å; A449-C451 VanDerWaalsContact O-N 3.08Å
450P55.4Low63Low125 Ų125118.5 Ų118.581%0.81267%0.672SS**PPolyproline II helixtrans-61116.5176.725.1-33.4000109.7S452P450-S452 PolarHBondContact O-N 3.25Å; P450-S452 VanDerWaalsContact O-N 3.16Å
451C63.2Low65.8Low72 Ų72116 Ų11649%0.48665%0.647SS.*PPolyproline II helixtrans-55.6120.7-178.2-173.30000110.1A449A449-C451 PolarHBondContact O-N 3.49Å; A449-C451 VanDerWaalsContact O-N 3.08Å
452S88.3Confident68.9Low52 Ų52118.4 Ų118.436%0.36464%0.639SS.*PPolyproline II helixtrans-65.2149.5-178.663.60000111P450 T454 Q455 L456P450-S452 PolarHBondContact O-N 3.25Å; P450-S452 VanDerWaalsContact O-N 3.16Å; S452-T454 PolarHBondContact O-N 3.13Å; S452-T454 VanDerWaalsContact O-N 3.14Å; S452-T454 PolarHBondContact OG-OG1 2.93Å; S452-Q455 PolarHBondContact O-N 2.85Å; S452-Q455 WeakPolarHBondContact OG-CB 3.25Å; S452-Q455 PolarHBondContact OG-N 3.19Å; S452-L456 PolarHBondContact O-N 3.33Å
453K88.6Confident71.9Confident175 Ų175109.2 Ų109.276%0.76161%0.608SS**Hα-helixtrans-52.8-39.9-179.1-179.4-177.6173.6-173.90112.3Q457K453-Q457 WeakPolarHBondContact O-CB 3.5Å; K453-Q457 PolarHBondContact O-N 2.93Å
454T89.9Confident74.6Confident95 Ų95108.6 Ų108.658%0.58359%0.591SS**Hα-helixtrans-65.6-46.8175.5420000111.9S452 L456 Q457 E458S452-T454 PolarHBondContact O-N 3.13Å; S452-T454 VanDerWaalsContact O-N 3.14Å; S452-T454 PolarHBondContact OG-OG1 2.93Å; T454-L456 VanDerWaalsContact C-N 3.33Å; T454-L456 PolarHBondContact O-N 3.01Å; T454-Q457 WeakPolarHBondContact O-CB 3.38Å; T454-Q457 PolarHBondContact O-N 2.67Å; T454-E458 WeakPolarHBondContact O-CG 3.34Å; T454-E458 PolarHBondContact O-N 2.75Å
455Q91.2Very high77.3Confident111 Ų111111.6 Ų111.652%0.51959%0.588SS.*Hα-helixtrans-63.7-36.3177-173.7177.710.800112.5S452 T459S452-Q455 PolarHBondContact O-N 2.85Å; S452-Q455 WeakPolarHBondContact OG-CB 3.25Å; S452-Q455 PolarHBondContact OG-N 3.19Å; Q455-T459 VanDerWaalsContact O-CB 3.3Å; Q455-T459 WeakPolarHBondContact O-CB 3.46Å; Q455-T459 PolarHBondContact O-N 3.41Å; Q455-T459 PolarHBondContact O-OG1 3.01Å
456L92.4Very high79.5Confident90 Ų90107.2 Ų107.247%0.47157%0.57SS.*Hα-helixtrans-65.3-44.4172.1177.962000111.4S452 T454 T459 L460S452-L456 PolarHBondContact O-N 3.33Å; T454-L456 VanDerWaalsContact C-N 3.33Å; T454-L456 PolarHBondContact O-N 3.01Å; L456-T459 PolarHBondContact O-N 2.92Å; L456-L460 HydrophobicContact CD1-CD1 4.08Å; L456-L460 HydrophobicContact CD1-CG 4.17Å; L456-L460 HydrophobicContact CG-CD1 4.02Å; L456-L460 WeakPolarHBondContact O-CB 3.24Å; L456-L460 WeakPolarHBondContact O-CG 3.46Å; L456-L460 PolarHBondContact O-N 3.06Å
457Q93.1Very high82.5Confident115 Ų115104.2 Ų104.254%0.53755%0.55SS..Hα-helixtrans-61.5-47.3177.3178.4178.3-35.300112.1K453 T454 T459 L460 M461K453-Q457 WeakPolarHBondContact O-CB 3.5Å; K453-Q457 PolarHBondContact O-N 2.93Å; T454-Q457 WeakPolarHBondContact O-CB 3.38Å; T454-Q457 PolarHBondContact O-N 2.67Å; Q457-T459 VanDerWaalsContact C-N 3.34Å; Q457-T459 PolarHBondContact O-N 3.25Å; Q457-L460 PolarHBondContact O-N 2.63Å; Q457-M461 WeakPolarHBondContact O-CB 3.41Å; Q457-M461 PolarHBondContact O-N 3Å
458E90.9Very high84.9Confident105 Ų10599.8 Ų99.849%0.49153%0.533SS..Hα-helixtrans-62.2-40.1174.7-69.7-56.2128.500111.8T454 M461 H462T454-E458 WeakPolarHBondContact O-CG 3.34Å; T454-E458 PolarHBondContact O-N 2.75Å; E458-M461 VanDerWaalsContact CD-CE 3.49Å; E458-M461 PolarHBondContact O-N 3.47Å; E458-M461 WeakPolarHBondContact OE1-CE 3.33Å; E458-M461 WeakPolarHBondContact OE2-CE 3.47Å; E458-H462 VanDerWaalsContact O-CB 3.3Å; E458-H462 WeakPolarHBondContact O-CB 3.45Å; E458-H462 PolarHBondContact O-N 3.48Å
459T93.4Very high87.4Confident68 Ų6896.1 Ų96.142%0.41752%0.52SS..Hα-helixtrans-64.6-45.8177.1-56.50000111.6Q455 L456 Q457 H462 L463Q455-T459 VanDerWaalsContact O-CB 3.3Å; Q455-T459 WeakPolarHBondContact O-CB 3.46Å; Q455-T459 PolarHBondContact O-N 3.41Å; Q455-T459 PolarHBondContact O-OG1 3.01Å; L456-T459 PolarHBondContact O-N 2.92Å; Q457-T459 VanDerWaalsContact C-N 3.34Å; Q457-T459 PolarHBondContact O-N 3.25Å; T459-H462 PolarHBondContact O-N 3.11Å; T459-L463 HydrophobicContact CG2-CD1 4.18Å; T459-L463 WeakPolarHBondContact O-CG 3.28Å; T459-L463 PolarHBondContact O-N 3.33Å
460L94.1Very high89.5Confident75 Ų7595 Ų9539%0.39350%0.499SS..Hα-helixtrans-63.8-42.4176.4-72.1170000111.5L456 Q457 H462 L463 I464 F470L456-L460 HydrophobicContact CD1-CD1 4.08Å; L456-L460 HydrophobicContact CD1-CG 4.17Å; L456-L460 HydrophobicContact CG-CD1 4.02Å; L456-L460 WeakPolarHBondContact O-CB 3.24Å; L456-L460 WeakPolarHBondContact O-CG 3.46Å; L456-L460 PolarHBondContact O-N 3.06Å; Q457-L460 PolarHBondContact O-N 2.63Å; L460-H462 VanDerWaalsContact C-N 3.33Å; L460-H462 PolarHBondContact O-N 2.73Å; L460-L463 PolarHBondContact O-N 2.84Å; L460-I464 WeakPolarHBondContact O-CB 3.08Å; L460-I464 WeakPolarHBondContact O-CD1 3.41Å; L460-I464 VanDerWaalsContact O-CG1 3.22Å; L460-I464 WeakPolarHBondContact O-CG1 3.36Å; L460-I464 PolarHBondContact O-N 2.88Å; L460-F470 HydrophobicContact CD2-CZ 4.08Å
461M93Very high91.3Very high80 Ų8093 Ų9339%0.39448%0.481SS..Hα-helixtrans-63.5-37.4174.6177.8170.555.400112.2Q457 E458 K465Q457-M461 WeakPolarHBondContact O-CB 3.41Å; Q457-M461 PolarHBondContact O-N 3Å; E458-M461 VanDerWaalsContact CD-CE 3.49Å; E458-M461 PolarHBondContact O-N 3.47Å; E458-M461 WeakPolarHBondContact OE1-CE 3.33Å; E458-M461 WeakPolarHBondContact OE2-CE 3.47Å; M461-K465 HydrophobicContact CG-CD 3.8Å; M461-K465 WeakPolarHBondContact O-CB 3.44Å; M461-K465 WeakPolarHBondContact O-CD 3.45Å; M461-K465 VanDerWaalsContact O-CG 3.22Å; M461-K465 WeakPolarHBondContact O-CG 3.42Å; M461-K465 PolarHBondContact O-N 2.92Å
462H92.9Very high92.8Very high118 Ų11892.5 Ų92.555%0.54648%0.478SS..Hα-helixtrans-65.3-48.8175.8-172.9106.8000111.3E458 T459 L460 K465 N466E458-H462 VanDerWaalsContact O-CB 3.3Å; E458-H462 WeakPolarHBondContact O-CB 3.45Å; E458-H462 PolarHBondContact O-N 3.48Å; T459-H462 PolarHBondContact O-N 3.11Å; L460-H462 VanDerWaalsContact C-N 3.33Å; L460-H462 PolarHBondContact O-N 2.73Å; H462-K465 PolarHBondContact O-N 3.24Å; H462-N466 PolarHBondContact CD2-ND2 3.44Å; H462-N466 VanDerWaalsContact CD2-ND2 3.34Å; H462-N466 PolarHBondContact CE1-ND2 3.28Å; H462-N466 PolarHBondContact ND1-ND2 3.09Å; H462-N466 PolarHBondContact NE2-ND2 3.43Å; H462-N466 WeakPolarHBondContact O-CB 3.36Å; H462-N466 PolarHBondContact O-N 3.23Å
463L95.3Very high93.1Very high53 Ų5392.8 Ų92.828%0.27748%0.484SS..Hα-helixtrans-60.9-49.5177.9-68.6169.2000111.3T459 L460 K465 N466 D467 F470T459-L463 HydrophobicContact CG2-CD1 4.18Å; T459-L463 WeakPolarHBondContact O-CG 3.28Å; T459-L463 PolarHBondContact O-N 3.33Å; L460-L463 PolarHBondContact O-N 2.84Å; L463-K465 PolarHBondContact O-N 2.84Å; L463-N466 PolarHBondContact O-N 3Å; L463-D467 HydrophobicContact CD2-CB 4.3Å; L463-D467 WeakPolarHBondContact O-CA 3.39Å; L463-D467 WeakPolarHBondContact O-CB 3.21Å; L463-D467 PolarHBondContact O-N 3.49Å; L463-F470 HydrophobicContact CB-CD1 3.54Å; L463-F470 HydrophobicContact CB-CE1 3.64Å; L463-F470 HydrophobicContact CB-CG 4.19Å; L463-F470 HydrophobicContact CB-CZ 4.38Å; L463-F470 HydrophobicContact CD1-CE1 4.28Å; L463-F470 HydrophobicContact CD1-CE2 4.43Å; L463-F470 HydrophobicContact CD1-CZ 4.19Å
464I94.8Very high93.4Very high79 Ų7988.2 Ų88.241%0.40547%0.467SS..Hα-helixtrans-56.2-28177.9-72.3168.5000113L460 F470L460-I464 WeakPolarHBondContact O-CB 3.08Å; L460-I464 WeakPolarHBondContact O-CD1 3.41Å; L460-I464 VanDerWaalsContact O-CG1 3.22Å; L460-I464 WeakPolarHBondContact O-CG1 3.36Å; L460-I464 PolarHBondContact O-N 2.88Å; I464-F470 HydrophobicContact CG1-CD1 4.44Å; I464-F470 HydrophobicContact CG1-CE1 4.05Å
465K90.9Very high93.6Very high154 Ų15488.6 Ų88.667%0.6746%0.462SS*.Hα-helixtrans-96.9-24.2-176.3-69.6173.767.8178.10114.4M461 H462 L463M461-K465 HydrophobicContact CG-CD 3.8Å; M461-K465 WeakPolarHBondContact O-CB 3.44Å; M461-K465 WeakPolarHBondContact O-CD 3.45Å; M461-K465 VanDerWaalsContact O-CG 3.22Å; M461-K465 WeakPolarHBondContact O-CG 3.42Å; M461-K465 PolarHBondContact O-N 2.92Å; H462-K465 PolarHBondContact O-N 3.24Å; L463-K465 PolarHBondContact O-N 2.84Å
466N91.8Very high93.8Very high111 Ų11187.1 Ų87.159%0.59446%0.458SS*.Hα-helixtrans-122.2-15.7-169.8-59.4-24000113.9H462 L463H462-N466 PolarHBondContact CD2-ND2 3.44Å; H462-N466 VanDerWaalsContact CD2-ND2 3.34Å; H462-N466 PolarHBondContact CE1-ND2 3.28Å; H462-N466 PolarHBondContact ND1-ND2 3.09Å; H462-N466 PolarHBondContact NE2-ND2 3.43Å; H462-N466 WeakPolarHBondContact O-CB 3.36Å; H462-N466 PolarHBondContact O-N 3.23Å; L463-N466 PolarHBondContact O-N 3Å
467D96.4Very high93.8Very high60 Ų6085.5 Ų85.532%0.32146%0.457SS..  trans-113.7102.9179.9-174-24.4000109.7L463 D469 F470 L471L463-D467 HydrophobicContact CD2-CB 4.3Å; L463-D467 WeakPolarHBondContact O-CA 3.39Å; L463-D467 WeakPolarHBondContact O-CB 3.21Å; L463-D467 PolarHBondContact O-N 3.49Å; D467-D469 VanDerWaalsContact C-N 3.25Å; D467-D469 PolarHBondContact O-N 2.94Å; D467-D469 PolarHBondContact OD1-N 3.42Å; D467-F470 HydrophobicContact CB-CB 3.89Å; D467-F470 VanDerWaalsContact CG-CB 3.42Å; D467-F470 PolarHBondContact OD1-N 3.15Å; D467-L471 PolarHBondContact O-N 3Å
468S92.6Very high93.8Very high78 Ų7887 Ų8755%0.54546%0.459SS..Hα-helixtrans-64.7-30.2178.949.10000113.1S472S468-S472 VanDerWaalsContact O-CB 3.31Å; S468-S472 WeakPolarHBondContact O-CB 3.22Å; S468-S472 PolarHBondContact O-N 2.91Å; S468-S472 PolarHBondContact O-OG 3.47Å
469D94.9Very high93.9Very high117 Ų11785.9 Ų85.963%0.62646%0.456SS*.Hα-helixtrans-85.4-38-169-616.1000108.7D467 S472 A473D467-D469 VanDerWaalsContact C-N 3.25Å; D467-D469 PolarHBondContact O-N 2.94Å; D467-D469 PolarHBondContact OD1-N 3.42Å; D469-S472 PolarHBondContact O-N 3.45Å; D469-A473 VanDerWaalsContact O-CB 3.32Å; D469-A473 WeakPolarHBondContact O-CB 3.49Å; D469-A473 PolarHBondContact O-N 3.23Å
470F95.6Very high93.7Very high63 Ų6389.1 Ų89.128%0.27647%0.466SS..Hα-helixtrans-60.4-46166.3-177.6-106000112.4L460 L463 I464 D467 A473 I474L460-F470 HydrophobicContact CD2-CZ 4.08Å; L463-F470 HydrophobicContact CB-CD1 3.54Å; L463-F470 HydrophobicContact CB-CE1 3.64Å; L463-F470 HydrophobicContact CB-CG 4.19Å; L463-F470 HydrophobicContact CB-CZ 4.38Å; L463-F470 HydrophobicContact CD1-CE1 4.28Å; L463-F470 HydrophobicContact CD1-CE2 4.43Å; L463-F470 HydrophobicContact CD1-CZ 4.19Å; I464-F470 HydrophobicContact CG1-CD1 4.44Å; I464-F470 HydrophobicContact CG1-CE1 4.05Å; D467-F470 HydrophobicContact CB-CB 3.89Å; D467-F470 VanDerWaalsContact CG-CB 3.42Å; D467-F470 PolarHBondContact OD1-N 3.15Å; F470-A473 PolarHBondContact O-N 3.03Å; F470-I474 HydrophobicContact CD1-CD1 3.9Å; F470-I474 HydrophobicContact CE1-CD1 3.45Å; F470-I474 VanDerWaalsContact CE1-CD1 3.45Å; F470-I474 HydrophobicContact CE2-CD1 4.32Å; F470-I474 HydrophobicContact CZ-CD1 3.69Å; F470-I474 WeakPolarHBondContact O-CG1 3.22Å; F470-I474 PolarHBondContact O-N 3.43Å
471L94.6Very high93.3Very high82 Ų8288.1 Ų88.143%0.42947%0.466SS..Hα-helixtrans-63.6-41.5176.9179.358.3000111.8D467 I474 H475D467-L471 PolarHBondContact O-N 3Å; L471-I474 PolarHBondContact O-N 2.94Å; L471-H475 WeakPolarHBondContact O-CB 3.37Å; L471-H475 PolarHBondContact O-N 2.84Å
472S94.1Very high92.8Very high61 Ų6186.6 Ų86.643%0.42746%0.461SS..Hα-helixtrans-64.4-43.3175.9-58.60000111.6S468 D469 I474 H475 D476S468-S472 VanDerWaalsContact O-CB 3.31Å; S468-S472 WeakPolarHBondContact O-CB 3.22Å; S468-S472 PolarHBondContact O-N 2.91Å; S468-S472 PolarHBondContact O-OG 3.47Å; D469-S472 PolarHBondContact O-N 3.45Å; S472-I474 VanDerWaalsContact C-N 3.33Å; S472-I474 PolarHBondContact O-N 3.43Å; S472-H475 WeakPolarHBondContact O-CB 3.44Å; S472-H475 PolarHBondContact O-N 3.27Å; S472-H475 VanDerWaalsContact O-N 3.15Å; S472-D476 WeakPolarHBondContact O-CB 3.41Å; S472-D476 PolarHBondContact O-N 3.37Å
473A95.8Very high92.2Very high59 Ų5984.5 Ų84.549%0.48846%0.459SS..Hα-helixtrans-62.1-36.9176.600000113D469 F470 A477D469-A473 VanDerWaalsContact O-CB 3.32Å; D469-A473 WeakPolarHBondContact O-CB 3.49Å; D469-A473 PolarHBondContact O-N 3.23Å; F470-A473 PolarHBondContact O-N 3.03Å; A473-A477 VanDerWaalsContact O-CB 3.25Å; A473-A477 WeakPolarHBondContact O-CB 3.27Å; A473-A477 PolarHBondContact O-N 2.73Å
474I95Very high91.3Very high78 Ų7889.1 Ų89.140%0.448%0.477SS..Hα-helixtrans-65.6-45.2172.5-71.8171.4000111F470 L471 S472 A477 Y478F470-I474 HydrophobicContact CD1-CD1 3.9Å; F470-I474 HydrophobicContact CE1-CD1 3.45Å; F470-I474 VanDerWaalsContact CE1-CD1 3.45Å; F470-I474 HydrophobicContact CE2-CD1 4.32Å; F470-I474 HydrophobicContact CZ-CD1 3.69Å; F470-I474 WeakPolarHBondContact O-CG1 3.22Å; F470-I474 PolarHBondContact O-N 3.43Å; L471-I474 PolarHBondContact O-N 2.94Å; S472-I474 VanDerWaalsContact C-N 3.33Å; S472-I474 PolarHBondContact O-N 3.43Å; I474-A477 PolarHBondContact O-N 2.99Å; I474-Y478 PolarHBondContact O-N 3.23Å
475H93.9Very high89.9Confident104 Ų10490 Ų9048%0.48148%0.483SS..Hα-helixtrans-62.6-44.5179.2176.7-95.8000112.1L471 S472 Y478 L479L471-H475 WeakPolarHBondContact O-CB 3.37Å; L471-H475 PolarHBondContact O-N 2.84Å; S472-H475 WeakPolarHBondContact O-CB 3.44Å; S472-H475 PolarHBondContact O-N 3.27Å; S472-H475 VanDerWaalsContact O-N 3.15Å; H475-Y478 WeakPolarHBondContact O-CB 3.35Å; H475-Y478 PolarHBondContact O-N 3.18Å; H475-L479 VanDerWaalsContact CE1-CD1 3.46Å; H475-L479 WeakPolarHBondContact CE1-CD1 3.3Å; H475-L479 WeakPolarHBondContact O-CG 3.49Å; H475-L479 PolarHBondContact O-N 3.37Å
476D94.7Very high88.4Confident80 Ų8089.9 Ų89.943%0.42848%0.483SS..Hα-helixtrans-70-34.9179.2-70.3-6000112S472 Y478 L479 Q480S472-D476 WeakPolarHBondContact O-CB 3.41Å; S472-D476 PolarHBondContact O-N 3.37Å; D476-Y478 VanDerWaalsContact C-N 3.34Å; D476-L479 PolarHBondContact O-N 3.38Å; D476-Q480 WeakPolarHBondContact O-CB 3.48Å; D476-Q480 VanDerWaalsContact O-CG 3.24Å; D476-Q480 WeakPolarHBondContact O-CG 3.36Å; D476-Q480 PolarHBondContact O-N 3.39Å; D476-Q480 PolarHBondContact O-NE2 3.03Å
477A92.9Very high86.7Confident55 Ų5588.5 Ų88.546%0.45548%0.482SS..Hα-helixtrans-64.2-38.3171.300000112A473 I474 Q480 S481A473-A477 VanDerWaalsContact O-CB 3.25Å; A473-A477 WeakPolarHBondContact O-CB 3.27Å; A473-A477 PolarHBondContact O-N 2.73Å; I474-A477 PolarHBondContact O-N 2.99Å; A477-Q480 PolarHBondContact O-N 3.05Å; A477-S481 PolarHBondContact O-N 2.87Å
478Y92.4Very high84.8Confident146 Ų14690 Ų9057%0.57350%0.496SS*.Hα-helixtrans-66.6-44.7173.9169.6-99.3000112.4I474 H475 D476 Q480 S481 V482I474-Y478 PolarHBondContact O-N 3.23Å; H475-Y478 WeakPolarHBondContact O-CB 3.35Å; H475-Y478 PolarHBondContact O-N 3.18Å; D476-Y478 VanDerWaalsContact C-N 3.34Å; Y478-Q480 VanDerWaalsContact C-N 3.26Å; Y478-Q480 PolarHBondContact O-N 3.05Å; Y478-S481 PolarHBondContact O-N 2.87Å; Y478-S481 PolarHBondContact O-OG 2.97Å; Y478-V482 HydrophobicContact CD2-CG2 4.26Å; Y478-V482 HydrophobicContact CE1-CG2 4.19Å; Y478-V482 HydrophobicContact CE2-CG2 3.81Å; Y478-V482 WeakPolarHBondContact O-CG2 3.47Å; Y478-V482 PolarHBondContact O-N 2.9Å
479L92.8Very high83Confident83 Ų8393.6 Ų93.644%0.43551%0.507SS..Hα-helixtrans-60.3-38.3173.8-71.8-179000111.8H475 D476 S483H475-L479 VanDerWaalsContact CE1-CD1 3.46Å; H475-L479 WeakPolarHBondContact CE1-CD1 3.3Å; H475-L479 WeakPolarHBondContact O-CG 3.49Å; H475-L479 PolarHBondContact O-N 3.37Å; D476-L479 PolarHBondContact O-N 3.38Å; L479-S483 VanDerWaalsContact O-CB 3.27Å; L479-S483 WeakPolarHBondContact O-CB 3.12Å; L479-S483 PolarHBondContact O-N 3.11Å; L479-S483 PolarHBondContact O-OG 2.98Å
480Q88.7Confident80.5Confident135 Ų13597 Ų9763%0.63152%0.516SS*.Hα-helixtrans-67.2-41.4174.9-75.8172.659.800112.6D476 A477 Y478 S483 K484D476-Q480 WeakPolarHBondContact O-CB 3.48Å; D476-Q480 VanDerWaalsContact O-CG 3.24Å; D476-Q480 WeakPolarHBondContact O-CG 3.36Å; D476-Q480 PolarHBondContact O-N 3.39Å; D476-Q480 PolarHBondContact O-NE2 3.03Å; A477-Q480 PolarHBondContact O-N 3.05Å; Y478-Q480 VanDerWaalsContact C-N 3.26Å; Y478-Q480 PolarHBondContact O-N 3.05Å; Q480-S483 PolarHBondContact O-N 3.49Å; Q480-K484 WeakPolarHBondContact O-CB 3.36Å; Q480-K484 PolarHBondContact O-N 3.15Å
481S86.3Confident77.8Confident54 Ų54105.8 Ų105.838%0.37856%0.564SS.*Hα-helixtrans-64.7-47.7176.660.90000111.6A477 Y478 S483 K484 D485A477-S481 PolarHBondContact O-N 2.87Å; Y478-S481 PolarHBondContact O-N 2.87Å; Y478-S481 PolarHBondContact O-OG 2.97Å; S481-S483 VanDerWaalsContact C-N 3.33Å; S481-S483 PolarHBondContact O-N 2.85Å; S481-K484 WeakPolarHBondContact O-CB 3.45Å; S481-K484 PolarHBondContact O-N 2.88Å; S481-K484 VanDerWaalsContact O-N 3.09Å; S481-D485 PolarHBondContact O-N 3.26Å
482V83.2Confident77Confident48 Ų48107 Ų10729%0.29157%0.571SS.*Hα-helixtrans-59.1-44.2177.4174.40000111.2Y478 K484 D485 F486Y478-V482 HydrophobicContact CD2-CG2 4.26Å; Y478-V482 HydrophobicContact CE1-CG2 4.19Å; Y478-V482 HydrophobicContact CE2-CG2 3.81Å; Y478-V482 WeakPolarHBondContact O-CG2 3.47Å; Y478-V482 PolarHBondContact O-N 2.9Å; V482-K484 VanDerWaalsContact C-N 3.32Å; V482-K484 PolarHBondContact O-N 3.16Å; V482-D485 PolarHBondContact O-N 2.74Å; V482-F486 HydrophobicContact CG1-CD2 3.92Å; V482-F486 HydrophobicContact CG1-CE2 3.73Å; V482-F486 WeakPolarHBondContact O-CD2 3.32Å; V482-F486 PolarHBondContact O-N 3.07Å
483S80.4Confident76.1Confident74 Ų74109.4 Ų109.452%0.51758%0.579SS.*Hα-helixtrans-67.5-30.8177.5-57.10000113.1L479 Q480 S481 S487L479-S483 VanDerWaalsContact O-CB 3.27Å; L479-S483 WeakPolarHBondContact O-CB 3.12Å; L479-S483 PolarHBondContact O-N 3.11Å; L479-S483 PolarHBondContact O-OG 2.98Å; Q480-S483 PolarHBondContact O-N 3.49Å; S481-S483 VanDerWaalsContact C-N 3.33Å; S481-S483 PolarHBondContact O-N 2.85Å; S483-S487 WeakPolarHBondContact O-CB 3.49Å; S483-S487 PolarHBondContact O-N 3.04Å; S483-S487 VanDerWaalsContact O-N 3.08Å; S483-S487 PolarHBondContact O-OG 3.29Å
484K75.4Confident75Confident150 Ų150112.2 Ų112.265%0.65258%0.584SS**Hα-helixtrans-71.3-41.4176.1-173.8178.7-179.6-178.10111.7Q480 S481 V482 S487 S488Q480-K484 WeakPolarHBondContact O-CB 3.36Å; Q480-K484 PolarHBondContact O-N 3.15Å; S481-K484 WeakPolarHBondContact O-CB 3.45Å; S481-K484 PolarHBondContact O-N 2.88Å; S481-K484 VanDerWaalsContact O-N 3.09Å; V482-K484 VanDerWaalsContact C-N 3.32Å; V482-K484 PolarHBondContact O-N 3.16Å; K484-S487 WeakPolarHBondContact CA-OG 3.5Å; K484-S487 PolarHBondContact O-N 3.13Å; K484-S487 PolarHBondContact O-OG 2.93Å; K484-S487 VanDerWaalsContact O-OG 3.12Å; K484-S488 WeakPolarHBondContact O-CB 3.46Å; K484-S488 PolarHBondContact O-N 3.42Å
485D64.8Low73.8Confident97 Ų97114.2 Ų114.252%0.51959%0.594SS.*Hα-helixtrans-64.5-45177.6-64.5-26.6000110.6S481 V482 S487 S488S481-D485 PolarHBondContact O-N 3.26Å; V482-D485 PolarHBondContact O-N 2.74Å; D485-S487 PolarHBondContact O-N 3.34Å; D485-S488 WeakPolarHBondContact O-CB 3.31Å; D485-S488 PolarHBondContact O-N 3.43Å; D485-S488 PolarHBondContact O-OG 2.92Å
486F59.4Low72.5Confident153 Ų153114.8 Ų114.867%0.67160%0.601SS**Hα-helixtrans-65.4-34.5174.8-76.7-61.8000114.3V482 S488 M489V482-F486 HydrophobicContact CG1-CD2 3.92Å; V482-F486 HydrophobicContact CG1-CE2 3.73Å; V482-F486 WeakPolarHBondContact O-CD2 3.32Å; V482-F486 PolarHBondContact O-N 3.07Å; F486-S488 VanDerWaalsContact C-N 3.35Å; F486-M489 PolarHBondContact O-N 2.68Å
487S57.5Low71.1Confident82 Ų82117.1 Ų117.157%0.57361%0.613SS**Hα-helixtrans-75.6-23175.248.90000113.2S483 K484 D485 M489S483-S487 WeakPolarHBondContact O-CB 3.49Å; S483-S487 PolarHBondContact O-N 3.04Å; S483-S487 VanDerWaalsContact O-N 3.08Å; S483-S487 PolarHBondContact O-OG 3.29Å; K484-S487 WeakPolarHBondContact CA-OG 3.5Å; K484-S487 PolarHBondContact O-N 3.13Å; K484-S487 PolarHBondContact O-OG 2.93Å; K484-S487 VanDerWaalsContact O-OG 3.12Å; D485-S487 PolarHBondContact O-N 3.34Å; S487-M489 PolarHBondContact O-N 3.31Å
488S55.3Low69.5Low90 Ų90121.6 Ų121.663%0.62962%0.624SS**Hα-helixtrans-69.9-14.5171.181.40000114.1K484 D485 F486K484-S488 WeakPolarHBondContact O-CB 3.46Å; K484-S488 PolarHBondContact O-N 3.42Å; D485-S488 WeakPolarHBondContact O-CB 3.31Å; D485-S488 PolarHBondContact O-N 3.43Å; D485-S488 PolarHBondContact O-OG 2.92Å; F486-S488 VanDerWaalsContact C-N 3.35Å
489M55.2Low67.7Low154 Ų154119.7 Ų119.776%0.75963%0.628SS**THydrogen-bonded Turntrans-98.46.6-178.3-68.4-169.6172.200114.8F486 S487 L491F486-M489 PolarHBondContact O-N 2.68Å; S487-M489 PolarHBondContact O-N 3.31Å; M489-L491 PolarHBondContact O-N 2.87Å
490K43Very low65.6Low190 Ų190122.8 Ų122.883%0.82665%0.645SS**  trans-84.6105169.1-91.9-171.8169.7-175.80110.9
491L38.5Very low63.6Low246 Ų246121.6 Ų121.6100%1.28865%0.646SS**  trans-81.10161.6-140.280.1000110.6M489M489-L491 PolarHBondContact O-N 2.87Å

Retrieved 491 of 491 residues in 318.4 ms (Link to these results)

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