A0A077ZG01_TRITR Loading...

3-hydroxyisobutyrate dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZG01, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 287 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
1M91.4Very high96.9Very high76 Ų7634.5 Ų34.537%0.37420%0.198SC..  0-52.30-66.1-57.7-80.300112.2S3 P4 M5 M53 V110 S114 A117 L122M1-S3 PolarHBondContact O-N 3.23Å; M1-P4 WeakPolarHBondContact O-CD 3.45Å; M1-P4 VanDerWaalsContact O-CG 3.24Å; M1-P4 WeakPolarHBondContact O-CG 3.5Å; M1-M5 HydrophobicContact CB-SD 4.28Å; M1-M5 VanDerWaalsContact O-CG 3.3Å; M1-M5 WeakPolarHBondContact O-CG 3.46Å; M1-M5 PolarHBondContact O-N 2.95Å; M1-M53 HydrophobicContact CB-CE 3.35Å; M1-M53 HydrophobicContact CB-CG 3.87Å; M1-M53 HydrophobicContact CB-SD 4.35Å; M1-M53 HydrophobicContact CG-CE 3.67Å; M1-V110 HydrophobicContact CE-CG2 3.5Å; M1-S114 VanDerWaalsContact SD-CA 3.6Å; M1-A117 HydrophobicContact CE-CB 4.06Å; M1-A117 HydrophobicContact SD-CB 4.18Å; M1-L122 HydrophobicContact CE-CD2 3.81Å
2G95.3Very high96.9Very high28 Ų2842.4 Ų42.429%0.28923%0.231SC..Hα-helixtrans-59.3-46.8-174.300000116M5 A6G2-M5 WeakPolarHBondContact O-CB 3.4Å; G2-M5 PolarHBondContact O-N 3.16Å; G2-A6 PolarHBondContact O-N 2.83Å
3S96.1Very high96.9Very high35 Ų3544.2 Ų44.225%0.24527%0.265CS..Hα-helixtrans-57.4-49.4-178.6-176.90000114.9M1 M5 A6 S7 H28 L29M1-S3 PolarHBondContact O-N 3.23Å; S3-M5 VanDerWaalsContact C-N 3.34Å; S3-M5 PolarHBondContact O-N 3.49Å; S3-A6 PolarHBondContact O-N 2.79Å; S3-S7 PolarHBondContact O-N 2.83Å; S3-S7 PolarHBondContact O-OG 2.94Å; S3-H28 PolarHBondContact OG-CD2 3.12Å; S3-L29 WeakPolarHBondContact O-CD2 3.17Å
4P97.1Very high97Very high27 Ų2745.9 Ų45.918%0.17527%0.269CS..Hα-helixtrans-65.9-34.5175.222.2-31.7000113.1M1 S7 N8 A117 I118M1-P4 WeakPolarHBondContact O-CD 3.45Å; M1-P4 VanDerWaalsContact O-CG 3.24Å; M1-P4 WeakPolarHBondContact O-CG 3.5Å; P4-S7 WeakPolarHBondContact O-CB 3.42Å; P4-S7 PolarHBondContact O-N 3.26Å; P4-N8 PolarHBondContact O-N 2.89Å; P4-N8 VanDerWaalsContact O-N 3.09Å; P4-N8 PolarHBondContact O-ND2 3.09Å; P4-A117 HydrophobicContact CB-CB 4.11Å; P4-A117 HydrophobicContact CG-CB 3.77Å; P4-I118 HydrophobicContact CB-CB 4.37Å; P4-I118 HydrophobicContact CB-CG1 3.72Å; P4-I118 HydrophobicContact CG-CG1 4.27Å
5M98.1Very high97.1Very high4 Ų456.2 Ų56.22%0.0231%0.313CS..Hα-helixtrans-60.6-50.1174.1-71.516862.500112M1 G2 S3 S7 N8 L9 M53 M83 V110 A117 L122 M143M1-M5 HydrophobicContact CB-SD 4.28Å; M1-M5 VanDerWaalsContact O-CG 3.3Å; M1-M5 WeakPolarHBondContact O-CG 3.46Å; M1-M5 PolarHBondContact O-N 2.95Å; G2-M5 WeakPolarHBondContact O-CB 3.4Å; G2-M5 PolarHBondContact O-N 3.16Å; S3-M5 VanDerWaalsContact C-N 3.34Å; S3-M5 PolarHBondContact O-N 3.49Å; M5-S7 VanDerWaalsContact C-N 3.27Å; M5-S7 PolarHBondContact O-N 2.61Å; M5-N8 PolarHBondContact O-N 3.46Å; M5-N8 VanDerWaalsContact O-N 3.15Å; M5-L9 PolarHBondContact O-N 3.45Å; M5-M53 HydrophobicContact SD-CG 4.18Å; M5-M53 HydrophobicContact SD-SD 4.34Å; M5-M83 HydrophobicContact CE-CB 4.25Å; M5-M83 HydrophobicContact CE-CE 3.69Å; M5-M83 HydrophobicContact CE-CG 4.41Å; M5-M83 HydrophobicContact CE-SD 3.33Å; M5-M83 WeakPolarHBondContact CE-SD 3.45Å; M5-V110 HydrophobicContact CE-CG1 4.41Å; M5-A117 HydrophobicContact CG-CB 4.26Å; M5-L122 HydrophobicContact CG-CD1 3.68Å; M5-L122 HydrophobicContact SD-CD1 3.99Å; M5-M143 HydrophobicContact CB-CG 4.45Å; M5-M143 HydrophobicContact CB-SD 3.69Å; M5-M143 HydrophobicContact CE-CE 4.42Å; M5-M143 HydrophobicContact CE-SD 3.95Å; M5-M143 HydrophobicContact CG-SD 4.31Å
6A98.2Very high97.1Very high14 Ų1454.3 Ų54.312%0.11630%0.302CS..Hα-helixtrans-62.3-34.517600000112.5G2 S3 N8 L9 L10 L16 L29G2-A6 PolarHBondContact O-N 2.83Å; S3-A6 PolarHBondContact O-N 2.79Å; A6-N8 VanDerWaalsContact C-N 3.34Å; A6-N8 PolarHBondContact O-N 3.44Å; A6-L9 PolarHBondContact O-N 2.75Å; A6-L10 PolarHBondContact O-N 3.34Å; A6-L10 VanDerWaalsContact O-N 3.1Å; A6-L16 HydrophobicContact CB-CD2 3.79Å; A6-L16 WeakPolarHBondContact O-CD2 3.34Å; A6-L29 HydrophobicContact CB-CD1 3.81Å; A6-L29 HydrophobicContact CB-CD2 3.66Å; A6-L29 HydrophobicContact CB-CG 4.41Å
7S97.8Very high97.2Very high5 Ų556.2 Ų56.24%0.03530%0.304CS..Hα-helixtrans-62.4-40.1174.4-59.30000112.2S3 P4 M5 L10 Q11 K32S3-S7 PolarHBondContact O-N 2.83Å; S3-S7 PolarHBondContact O-OG 2.94Å; P4-S7 WeakPolarHBondContact O-CB 3.42Å; P4-S7 PolarHBondContact O-N 3.26Å; M5-S7 VanDerWaalsContact C-N 3.27Å; M5-S7 PolarHBondContact O-N 2.61Å; S7-L10 PolarHBondContact O-N 3.01Å; S7-Q11 WeakPolarHBondContact O-CG 3.43Å; S7-Q11 PolarHBondContact O-N 3.31Å; S7-K32 PolarHBondContact OG-NZ 3Å
8N98.3Very high97.3Very high9 Ų953.9 Ų53.95%0.04829%0.292CS..Hα-helixtrans-67.2-38.7176.7-61.9-39.1000111.8P4 M5 A6 L10 Q11 Q12 A117 I118 G120 A142 M143P4-N8 PolarHBondContact O-N 2.89Å; P4-N8 VanDerWaalsContact O-N 3.09Å; P4-N8 PolarHBondContact O-ND2 3.09Å; M5-N8 PolarHBondContact O-N 3.46Å; M5-N8 VanDerWaalsContact O-N 3.15Å; A6-N8 VanDerWaalsContact C-N 3.34Å; A6-N8 PolarHBondContact O-N 3.44Å; N8-L10 VanDerWaalsContact C-N 3.33Å; N8-L10 PolarHBondContact O-N 3.16Å; N8-Q11 PolarHBondContact O-N 2.92Å; N8-Q12 WeakPolarHBondContact O-CG 3.47Å; N8-Q12 PolarHBondContact O-N 2.91Å; N8-A117 PolarHBondContact ND2-O 2.85Å; N8-I118 PolarHBondContact OD1-O 2.8Å; N8-G120 WeakPolarHBondContact ND2-CA 3.45Å; N8-G120 PolarHBondContact ND2-N 3.27Å; N8-A142 VanDerWaalsContact CB-O 3.28Å; N8-A142 WeakPolarHBondContact CB-O 3.4Å; N8-M143 HydrophobicContact CB-CG 4.43Å
9L98.5Very high97.4Very high11 Ų1155.1 Ų55.16%0.05829%0.294CS..Hα-helixtrans-60.5-43.4175.7-66.3170.4000111.7M5 A6 Q12 G13 H14 L16 I51 I139 A142 M143M5-L9 PolarHBondContact O-N 3.45Å; A6-L9 PolarHBondContact O-N 2.75Å; L9-Q12 PolarHBondContact O-N 3.2Å; L9-G13 PolarHBondContact O-N 3.03Å; L9-H14 HydrophobicContact CB-CB 4.37Å; L9-H14 WeakPolarHBondContact O-CB 3.48Å; L9-H14 PolarHBondContact O-CD2 2.95Å; L9-H14 PolarHBondContact O-N 3.32Å; L9-H14 VanDerWaalsContact O-N 3.08Å; L9-L16 HydrophobicContact CB-CD1 3.71Å; L9-L16 HydrophobicContact CB-CD2 3.94Å; L9-L16 HydrophobicContact CB-CG 4.38Å; L9-L16 HydrophobicContact CD1-CD2 4.09Å; L9-I51 HydrophobicContact CD1-CD1 3.89Å; L9-I139 HydrophobicContact CD2-CD1 4.38Å; L9-I139 HydrophobicContact CD2-CG1 3.56Å; L9-A142 HydrophobicContact CD2-CB 3.78Å; L9-M143 HydrophobicContact CD1-CE 4.41Å; L9-M143 HydrophobicContact CD1-CG 4.4Å; L9-M143 HydrophobicContact CD1-SD 3.7Å; L9-M143 HydrophobicContact CD2-CE 4.27Å; L9-M143 HydrophobicContact CD2-CG 3.82Å; L9-M143 HydrophobicContact CD2-SD 4.03Å; L9-M143 HydrophobicContact CG-CG 3.74Å; L9-M143 HydrophobicContact CG-SD 3.72Å
10L98.1Very high97.4Very high28 Ų2856 Ų5615%0.14730%0.299CS..Hα-helixtrans-60.5-43.8173.7-71.7166.3000111.8A6 S7 N8 Q12 G13 L16 L29 K32 A34A6-L10 PolarHBondContact O-N 3.34Å; A6-L10 VanDerWaalsContact O-N 3.1Å; S7-L10 PolarHBondContact O-N 3.01Å; N8-L10 VanDerWaalsContact C-N 3.33Å; N8-L10 PolarHBondContact O-N 3.16Å; L10-Q12 PolarHBondContact O-N 2.59Å; L10-G13 PolarHBondContact O-N 2.82Å; L10-L16 HydrophobicContact CD2-CB 4.06Å; L10-L16 HydrophobicContact CD2-CD1 3.92Å; L10-L16 HydrophobicContact CD2-CG 4.41Å; L10-L16 HydrophobicContact CG-CD1 4.07Å; L10-L16 HydrophobicContact CG-CD2 4.25Å; L10-L29 HydrophobicContact CD1-CD2 4.47Å; L10-K32 HydrophobicContact CD1-CB 3.75Å; L10-A34 HydrophobicContact CD1-CB 4.14Å; L10-A34 HydrophobicContact CD2-CB 4.33Å
11Q97.1Very high97.4Very high143 Ų14359.8 Ų59.867%0.66832%0.324SS*.Hα-helixtrans-63.1-30.3178.3-74.1173.9-7.100113S7 N8 G13S7-Q11 WeakPolarHBondContact O-CG 3.43Å; S7-Q11 PolarHBondContact O-N 3.31Å; N8-Q11 PolarHBondContact O-N 2.92Å; Q11-G13 PolarHBondContact O-N 3.06Å
12Q97Very high97.6Very high129 Ų12960.1 Ų60.160%0.60333%0.327SS*.THydrogen-bonded Turntrans-82.96.6174.3-63.7-63.4-30.500113N8 L9 L10 A142N8-Q12 WeakPolarHBondContact O-CG 3.47Å; N8-Q12 PolarHBondContact O-N 2.91Å; L9-Q12 PolarHBondContact O-N 3.2Å; L10-Q12 PolarHBondContact O-N 2.59Å; Q12-A142 HydrophobicContact CB-CB 4.01Å; Q12-A142 HydrophobicContact CG-CB 3.75Å
13G97Very high97.7Very high65 Ų6562.3 Ų62.367%0.6734%0.343SS*.THydrogen-bonded Turntrans84.111.7173.700000115L9 L10 Q11L9-G13 PolarHBondContact O-N 3.03Å; L10-G13 PolarHBondContact O-N 2.82Å; Q11-G13 PolarHBondContact O-N 3.06Å
14H98.1Very high97.7Very high69 Ų6966.5 Ų66.532%0.31936%0.358SS..  trans-73.2146.4174.1-64.8-75.1000111.4L9 L16L9-H14 HydrophobicContact CB-CB 4.37Å; L9-H14 WeakPolarHBondContact O-CB 3.48Å; L9-H14 PolarHBondContact O-CD2 2.95Å; L9-H14 PolarHBondContact O-N 3.32Å; L9-H14 VanDerWaalsContact O-N 3.08Å; H14-L16 HydrophobicContact CB-CD1 3.68Å; H14-L16 VanDerWaalsContact O-CD1 3.27Å; H14-L16 WeakPolarHBondContact O-CD1 3.42Å
15Q98Very high97.7Very high200 Ų20066.2 Ų66.294%0.93536%0.359SS*.  trans-86.3123.3171.3-64.1179.54500109.7
16L98.2Very high97.7Very high25 Ų2567 Ų6713%0.13136%0.364CS..  trans-117.7130.8-175.6-8377.1000111.3A6 L9 L10 H14 V18 A34 T35A6-L16 HydrophobicContact CB-CD2 3.79Å; A6-L16 WeakPolarHBondContact O-CD2 3.34Å; L9-L16 HydrophobicContact CB-CD1 3.71Å; L9-L16 HydrophobicContact CB-CD2 3.94Å; L9-L16 HydrophobicContact CB-CG 4.38Å; L9-L16 HydrophobicContact CD1-CD2 4.09Å; L10-L16 HydrophobicContact CD2-CB 4.06Å; L10-L16 HydrophobicContact CD2-CD1 3.92Å; L10-L16 HydrophobicContact CD2-CG 4.41Å; L10-L16 HydrophobicContact CG-CD1 4.07Å; L10-L16 HydrophobicContact CG-CD2 4.25Å; H14-L16 HydrophobicContact CB-CD1 3.68Å; H14-L16 VanDerWaalsContact O-CD1 3.27Å; H14-L16 WeakPolarHBondContact O-CD1 3.42Å; L16-V18 HydrophobicContact CB-CG1 4.2Å; L16-V18 HydrophobicContact CD2-CG1 4.4Å; L16-A34 HydrophobicContact CB-CB 4.26Å; L16-T35 PolarHBondContact O-N 3.37Å
17R98.5Very high97.7Very high87 Ų8773.2 Ų73.233%0.32838%0.384SS..EExtended strand (participates in β ladder)trans-100132.6155.3-78.5179.9-69-147.4-19.7109T35 A43 D46R17-T35 CarbonylContact C-O 3.53Å; R17-T35 VanDerWaalsContact CA-O 3.23Å; R17-T35 WeakPolarHBondContact CA-O 3.33Å; R17-T35 HydrophobicContact CG-CG2 4.11Å; R17-A43 PolarHBondContact NE-O 2.9Å; R17-D46 IonicContact NH1-OD2 2.79Å; R17-D46 PolarHBondContact NH1-OD2 3.03Å; R17-D46 VanDerWaalsContact NH2-CA 3.35Å; R17-D46 IonicContact NH2-OD2 3.39Å
18V98.5Very high97.6Very high15 Ų1577 Ų779%0.09140%0.401CS..EExtended strand (participates in β ladder)trans-126.7140.6-173.6-61.60000111.2L16 V26 L29 A34 T35 A37L16-V18 HydrophobicContact CB-CG1 4.2Å; L16-V18 HydrophobicContact CD2-CG1 4.4Å; V18-V26 HydrophobicContact CG2-CG1 4.27Å; V18-L29 HydrophobicContact CB-CD1 4.19Å; V18-L29 HydrophobicContact CG1-CB 4.47Å; V18-L29 HydrophobicContact CG1-CD1 3.93Å; V18-L29 HydrophobicContact CG2-CB 4.12Å; V18-L29 HydrophobicContact CG2-CD1 4.39Å; V18-A34 HydrophobicContact CB-CB 4.5Å; V18-A34 HydrophobicContact CG1-CB 3.87Å; V18-A34 HydrophobicContact CG2-CB 3.77Å; V18-T35 PolarHBondContact N-O 2.94Å; V18-A37 PolarHBondContact O-N 3.02Å
19F98.5Very high97.6Very high76 Ų7677.2 Ų77.233%0.33340%0.402SS..  trans-137.4135.4172.4172-101.3000108.8A37 A38 P40 A43F19-A37 HydrophobicContact CB-CB 4.36Å; F19-A37 WeakPolarHBondContact CD2-O 3.46Å; F19-A38 VanDerWaalsContact CE2-O 3.31Å; F19-A38 WeakPolarHBondContact CE2-O 3.45Å; F19-P40 HydrophobicContact CD1-CG 3.75Å; F19-P40 HydrophobicContact CE1-CG 3.72Å; F19-A43 HydrophobicContact CB-CB 4.21Å
20D98.2Very high97.6Very high73 Ų7379.2 Ų79.239%0.3942%0.415SS..  trans-148.9148169.8-162.6-58.6000107.3N22 A25 V26D20-N22 PolarHBondContact O-N 2.91Å; D20-N22 WeakPolarHBondContact OD1-CB 3.41Å; D20-N22 PolarHBondContact OD1-N 3.05Å; D20-A25 HydrophobicContact CB-CB 4.3Å; D20-V26 HydrophobicContact CB-CG2 3.86Å
21V96.7Very high97.6Very high137 Ų13783.8 Ų83.883%0.8344%0.439SS*.SBendtrans-65.3-22.9172.5-63.30000111.4A23V21-A23 PolarHBondContact O-N 3.37Å
22N97Very high97.7Very high82 Ų8281.4 Ų81.444%0.43943%0.427SS..  trans-85.8103.3171.5-175.8-10000110.9D20 E24 A25 V26D20-N22 PolarHBondContact O-N 2.91Å; D20-N22 WeakPolarHBondContact OD1-CB 3.41Å; D20-N22 PolarHBondContact OD1-N 3.05Å; N22-E24 PolarHBondContact O-N 3.37Å; N22-E24 WeakPolarHBondContact OD1-CB 3.31Å; N22-E24 PolarHBondContact OD1-N 3.46Å; N22-A25 HydrophobicContact CB-CB 4.07Å; N22-A25 WeakPolarHBondContact O-CB 3.21Å; N22-A25 PolarHBondContact O-N 2.99Å; N22-A25 PolarHBondContact OD1-N 2.92Å; N22-V26 PolarHBondContact O-N 3.29Å
23A96.6Very high97.7Very high75 Ų7578 Ų7862%0.6243%0.426SS*.Hα-helixtrans-58.1-29.1178.100000113.9V21 V26 R27V21-A23 PolarHBondContact O-N 3.37Å; A23-V26 PolarHBondContact O-N 3.1Å; A23-R27 WeakPolarHBondContact O-CB 3.44Å; A23-R27 PolarHBondContact O-N 3.32Å
24E97Very high97.8Very high122 Ų12275.1 Ų75.157%0.5740%0.396SS*.Hα-helixtrans-70.4-37.7176.4-179.9167.4-144.600112N22 V26 R27 H28N22-E24 PolarHBondContact O-N 3.37Å; N22-E24 WeakPolarHBondContact OD1-CB 3.31Å; N22-E24 PolarHBondContact OD1-N 3.46Å; E24-V26 VanDerWaalsContact C-N 3.32Å; E24-V26 PolarHBondContact O-N 2.92Å; E24-R27 PolarHBondContact O-N 2.95Å; E24-R27 IonicContact OE1-NH2 3.38Å; E24-R27 PolarHBondContact OE1-NH2 3.14Å; E24-H28 PolarHBondContact O-N 3.11Å
25A96Very high97.8Very high22 Ų2275.7 Ų75.718%0.18241%0.405CS..Hα-helixtrans-64.1-39.3175.200000111.4D20 N22 L29D20-A25 HydrophobicContact CB-CB 4.3Å; N22-A25 HydrophobicContact CB-CB 4.07Å; N22-A25 WeakPolarHBondContact O-CB 3.21Å; N22-A25 PolarHBondContact O-N 2.99Å; N22-A25 PolarHBondContact OD1-N 2.92Å; A25-L29 PolarHBondContact O-N 3.13Å
26V98.3Very high97.8Very high21 Ų2169.9 Ų69.913%0.12738%0.384CS..Hα-helixtrans-63.2-52.6172.7177.40000110.4V18 D20 N22 A23 E24 H28 L29 V30 P36V18-V26 HydrophobicContact CG2-CG1 4.27Å; D20-V26 HydrophobicContact CB-CG2 3.86Å; N22-V26 PolarHBondContact O-N 3.29Å; A23-V26 PolarHBondContact O-N 3.1Å; E24-V26 VanDerWaalsContact C-N 3.32Å; E24-V26 PolarHBondContact O-N 2.92Å; V26-H28 VanDerWaalsContact C-N 3.3Å; V26-H28 PolarHBondContact O-N 3.44Å; V26-L29 PolarHBondContact O-N 3.23Å; V26-V30 HydrophobicContact CG1-CG2 4.11Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 2.95Å; V26-P36 HydrophobicContact CG1-CB 3.81Å
27R97.9Very high97.8Very high143 Ų14369.3 Ų69.354%0.5438%0.383SS..Hα-helixtrans-53.9-45.7-179.3-177.2176.563.6-154.7-2.2112A23 E24 L29 V30 D31A23-R27 WeakPolarHBondContact O-CB 3.44Å; A23-R27 PolarHBondContact O-N 3.32Å; E24-R27 PolarHBondContact O-N 2.95Å; E24-R27 IonicContact OE1-NH2 3.38Å; E24-R27 PolarHBondContact OE1-NH2 3.14Å; R27-L29 PolarHBondContact O-N 3.31Å; R27-V30 PolarHBondContact O-N 3.31Å; R27-V30 VanDerWaalsContact O-N 3.12Å; R27-D31 VanDerWaalsContact O-CG 3.25Å; R27-D31 PolarHBondContact O-N 3.28Å
28H96.9Very high97.7Very high85 Ų8568.7 Ų68.739%0.39440%0.396SS..Hα-helixtrans-59.5-32.4179-174.969000113.8S3 E24 V26 K32S3-H28 PolarHBondContact OG-CD2 3.12Å; E24-H28 PolarHBondContact O-N 3.11Å; V26-H28 VanDerWaalsContact C-N 3.3Å; V26-H28 PolarHBondContact O-N 3.44Å; H28-K32 WeakPolarHBondContact NE2-CE 3.45Å; H28-K32 PolarHBondContact NE2-NZ 2.96Å; H28-K32 WeakPolarHBondContact O-CG 3.35Å
29L98.3Very high97.7Very high13 Ų1369.3 Ų69.37%0.06840%0.399CS..Hα-helixtrans-81.8-34.3176.6-68.6170.9000111.8S3 A6 L10 V18 A25 V26 R27 D31 K32 G33 A34S3-L29 WeakPolarHBondContact O-CD2 3.17Å; A6-L29 HydrophobicContact CB-CD1 3.81Å; A6-L29 HydrophobicContact CB-CD2 3.66Å; A6-L29 HydrophobicContact CB-CG 4.41Å; L10-L29 HydrophobicContact CD1-CD2 4.47Å; V18-L29 HydrophobicContact CB-CD1 4.19Å; V18-L29 HydrophobicContact CG1-CB 4.47Å; V18-L29 HydrophobicContact CG1-CD1 3.93Å; V18-L29 HydrophobicContact CG2-CB 4.12Å; V18-L29 HydrophobicContact CG2-CD1 4.39Å; A25-L29 PolarHBondContact O-N 3.13Å; V26-L29 PolarHBondContact O-N 3.23Å; R27-L29 PolarHBondContact O-N 3.31Å; L29-D31 VanDerWaalsContact C-N 3.34Å; L29-K32 CarbonylContact O-C 3.51Å; L29-K32 WeakPolarHBondContact O-CA 3.48Å; L29-K32 WeakPolarHBondContact O-CB 3.31Å; L29-K32 PolarHBondContact O-N 3.48Å; L29-K32 VanDerWaalsContact O-N 3.08Å; L29-G33 PolarHBondContact O-N 3.01Å; L29-A34 HydrophobicContact CB-CB 3.93Å; L29-A34 VanDerWaalsContact O-CB 3.3Å; L29-A34 WeakPolarHBondContact O-CB 3.24Å; L29-A34 PolarHBondContact O-N 3.18Å
30V98.4Very high97.7Very high54 Ų5466.4 Ų66.433%0.32739%0.388SS..Hα-helixtrans-62.5-42.3173.2174.80000111V26 R27 K32 G33 A34 P36V26-V30 HydrophobicContact CG1-CG2 4.11Å; V26-V30 WeakPolarHBondContact O-CG2 3.34Å; V26-V30 PolarHBondContact O-N 2.95Å; R27-V30 PolarHBondContact O-N 3.31Å; R27-V30 VanDerWaalsContact O-N 3.12Å; V30-K32 PolarHBondContact O-N 2.84Å; V30-G33 PolarHBondContact O-N 3.24Å; V30-A34 WeakPolarHBondContact CA-O 3.06Å; V30-P36 HydrophobicContact CG2-CB 3.86Å; V30-P36 HydrophobicContact CG2-CG 4Å
31D98Very high97.8Very high124 Ų12463.6 Ų63.666%0.66338%0.375SS*.THydrogen-bonded Turntrans-60-19.3174.7-65.1-21.2000112.6R27 L29R27-D31 VanDerWaalsContact O-CG 3.25Å; R27-D31 PolarHBondContact O-N 3.28Å; L29-D31 VanDerWaalsContact C-N 3.34Å
32K97.7Very high97.8Very high93 Ų9361.5 Ų61.540%0.40436%0.356SS..THydrogen-bonded Turntrans-99.22.9175.6-64.8-178.9-174.1178.60114S7 L10 H28 L29 V30S7-K32 PolarHBondContact OG-NZ 3Å; L10-K32 HydrophobicContact CD1-CB 3.75Å; H28-K32 WeakPolarHBondContact NE2-CE 3.45Å; H28-K32 PolarHBondContact NE2-NZ 2.96Å; H28-K32 WeakPolarHBondContact O-CG 3.35Å; L29-K32 CarbonylContact O-C 3.51Å; L29-K32 WeakPolarHBondContact O-CA 3.48Å; L29-K32 WeakPolarHBondContact O-CB 3.31Å; L29-K32 PolarHBondContact O-N 3.48Å; L29-K32 VanDerWaalsContact O-N 3.08Å; V30-K32 PolarHBondContact O-N 2.84Å
33G97.9Very high97.9Very high56 Ų5658.6 Ų58.658%0.57734%0.343SS*.THydrogen-bonded Turntrans102.67.817700000115.9L29 V30L29-G33 PolarHBondContact O-N 3.01Å; V30-G33 PolarHBondContact O-N 3.24Å
34A98.4Very high98Very high6 Ų655 Ų555%0.0531%0.314CS..PPolyproline II helixtrans-72152.8169.700000111.9L10 L16 V18 L29 V30L10-A34 HydrophobicContact CD1-CB 4.14Å; L10-A34 HydrophobicContact CD2-CB 4.33Å; L16-A34 HydrophobicContact CB-CB 4.26Å; V18-A34 HydrophobicContact CB-CB 4.5Å; V18-A34 HydrophobicContact CG1-CB 3.87Å; V18-A34 HydrophobicContact CG2-CB 3.77Å; L29-A34 HydrophobicContact CB-CB 3.93Å; L29-A34 VanDerWaalsContact O-CB 3.3Å; L29-A34 WeakPolarHBondContact O-CB 3.24Å; L29-A34 PolarHBondContact O-N 3.18Å; V30-A34 WeakPolarHBondContact CA-O 3.06Å
35T98.5Very high98Very high81 Ų8155.5 Ų55.550%0.49731%0.314SS..EExtended strand (participates in β ladder)trans-91.7126.2170-600000109.6L16 R17 V18L16-T35 PolarHBondContact O-N 3.37Å; R17-T35 CarbonylContact C-O 3.53Å; R17-T35 VanDerWaalsContact CA-O 3.23Å; R17-T35 WeakPolarHBondContact CA-O 3.33Å; R17-T35 HydrophobicContact CG-CG2 4.11Å; V18-T35 PolarHBondContact N-O 2.94Å
36P98.3Very high98Very high77 Ų7760.2 Ų60.250%0.534%0.336SS..EExtended strand (participates in β ladder)trans-73.5143.8175.931.1-32.3000110.6V26 V30V26-P36 HydrophobicContact CG1-CB 3.81Å; V30-P36 HydrophobicContact CG2-CB 3.86Å; V30-P36 HydrophobicContact CG2-CG 4Å
37A98.4Very high98Very high14 Ų1460.1 Ų60.112%0.11634%0.337CS..  trans-114.7148.117000000110.1V18 F19 Q42 A43V18-A37 PolarHBondContact O-N 3.02Å; F19-A37 HydrophobicContact CB-CB 4.36Å; F19-A37 WeakPolarHBondContact CD2-O 3.46Å; A37-Q42 HydrophobicContact CB-CB 4.03Å; A37-A43 HydrophobicContact CB-CB 3.76Å
38A97.3Very high98Very high73 Ų7360 Ų6060%0.60334%0.343SS*.SBendtrans-79.2-21.5179.700000113.1F19F19-A38 VanDerWaalsContact CE2-O 3.31Å; F19-A38 WeakPolarHBondContact CE2-O 3.45Å
39N98.4Very high98.1Very high29 Ų2958.2 Ų58.216%0.15533%0.334CS..SBendtrans-158.4169.9-179.560.443.4000111A41 Q42 A43 N68N39-A41 PolarHBondContact O-N 3.19Å; N39-A41 PolarHBondContact OD1-N 3.39Å; N39-Q42 PolarHBondContact O-N 3.49Å; N39-Q42 WeakPolarHBondContact OD1-CB 3.44Å; N39-Q42 WeakPolarHBondContact OD1-CG 3.43Å; N39-Q42 PolarHBondContact OD1-N 2.97Å; N39-A43 PolarHBondContact O-N 3.19Å; N39-A43 VanDerWaalsContact O-N 3.11Å; N39-N68 HydrophobicContact CB-CB 3.85Å
40P98.6Very high98.1Very high15 Ų1558.4 Ų58.410%0.09734%0.335CS..Hα-helixtrans-58.8-39.5179.2-27.335.7000115.2F19 Q42 A43 A44 V63 N68 V70F19-P40 HydrophobicContact CD1-CG 3.75Å; F19-P40 HydrophobicContact CE1-CG 3.72Å; P40-Q42 VanDerWaalsContact C-N 3.32Å; P40-Q42 PolarHBondContact O-N 3.07Å; P40-A43 WeakPolarHBondContact O-CB 3.47Å; P40-A43 PolarHBondContact O-N 3.33Å; P40-A43 VanDerWaalsContact O-N 3.15Å; P40-A44 PolarHBondContact O-N 3.48Å; P40-V63 HydrophobicContact CB-CG1 4.03Å; P40-V63 HydrophobicContact CG-CG1 4.06Å; P40-V63 HydrophobicContact CG-CG2 4.43Å; P40-N68 WeakPolarHBondContact CD-O 3.35Å; P40-V70 HydrophobicContact CB-CG2 3.89Å
41A98.6Very high98.2Very high13 Ų1358.2 Ų58.211%0.10733%0.332CS..Hα-helixtrans-57.9-44.717700000111.7N39 A44 K45 N68 G69 E72N39-A41 PolarHBondContact O-N 3.19Å; N39-A41 PolarHBondContact OD1-N 3.39Å; A41-A44 PolarHBondContact O-N 3.45Å; A41-K45 PolarHBondContact O-N 3.23Å; A41-N68 WeakPolarHBondContact CB-O 3.47Å; A41-N68 PolarHBondContact N-O 2.96Å; A41-G69 WeakPolarHBondContact CA-O 3.38Å; A41-G69 VanDerWaalsContact CB-O 3.29Å; A41-G69 WeakPolarHBondContact CB-O 3.4Å; A41-E72 HydrophobicContact CB-CB 4.06Å
42Q98.3Very high98.2Very high94 Ų9452.7 Ų52.744%0.43930%0.302SS..Hα-helixtrans-67.2-36176.4-73.8-176.33.900112.7A37 N39 P40 A44 K45A37-Q42 HydrophobicContact CB-CB 4.03Å; N39-Q42 PolarHBondContact O-N 3.49Å; N39-Q42 WeakPolarHBondContact OD1-CB 3.44Å; N39-Q42 WeakPolarHBondContact OD1-CG 3.43Å; N39-Q42 PolarHBondContact OD1-N 2.97Å; P40-Q42 VanDerWaalsContact C-N 3.32Å; P40-Q42 PolarHBondContact O-N 3.07Å; Q42-A44 VanDerWaalsContact C-N 3.27Å; Q42-A44 PolarHBondContact O-N 3.08Å; Q42-K45 PolarHBondContact O-N 3.33Å
43A98.4Very high98.2Very high21 Ų2150.5 Ų50.517%0.17429%0.294CS..Hα-helixtrans-63.5-36.7175.700000111.5R17 F19 A37 N39 P40R17-A43 PolarHBondContact NE-O 2.9Å; F19-A43 HydrophobicContact CB-CB 4.21Å; A37-A43 HydrophobicContact CB-CB 3.76Å; N39-A43 PolarHBondContact O-N 3.19Å; N39-A43 VanDerWaalsContact O-N 3.11Å; P40-A43 WeakPolarHBondContact O-CB 3.47Å; P40-A43 PolarHBondContact O-N 3.33Å; P40-A43 VanDerWaalsContact O-N 3.15Å
44A98.5Very high98.2Very high0 Ų050.1 Ų50.10%028%0.279CS..Hα-helixtrans-76-18.1-179.600000114.5P40 A41 Q42 D46 A47 I50 V70P40-A44 PolarHBondContact O-N 3.48Å; A41-A44 PolarHBondContact O-N 3.45Å; Q42-A44 VanDerWaalsContact C-N 3.27Å; Q42-A44 PolarHBondContact O-N 3.08Å; A44-D46 PolarHBondContact O-N 3.49Å; A44-A47 WeakPolarHBondContact O-CB 3.3Å; A44-A47 PolarHBondContact O-N 3.03Å; A44-I50 HydrophobicContact CB-CG1 4.07Å; A44-V70 HydrophobicContact CB-CB 4.41Å; A44-V70 HydrophobicContact CB-CG1 3.88Å
45K97.7Very high98.1Very high131 Ų13155 Ų5557%0.5731%0.31SS*.THydrogen-bonded Turntrans-52.7-26.5-153.2174.5176.81731780119.1A41 Q42 G73A41-K45 PolarHBondContact O-N 3.23Å; Q42-K45 PolarHBondContact O-N 3.33Å; K45-G73 WeakPolarHBondContact CA-O 3.41Å
46D96Very high98Very high121 Ų12154.3 Ų54.365%0.64730%0.303SS*.THydrogen-bonded Turntrans-146.429175.5-55.8-81.6000106.9R17 A44R17-D46 IonicContact NH1-OD2 2.79Å; R17-D46 PolarHBondContact NH1-OD2 3.03Å; R17-D46 VanDerWaalsContact NH2-CA 3.35Å; R17-D46 IonicContact NH2-OD2 3.39Å; A44-D46 PolarHBondContact O-N 3.49Å
47A98.1Very high98Very high19 Ų1950.7 Ų50.716%0.15728%0.28CS..  trans-86.5132.4-170.600000109.1A44 F49 I50 A78A44-A47 WeakPolarHBondContact O-CB 3.3Å; A44-A47 PolarHBondContact O-N 3.03Å; A47-F49 VanDerWaalsContact C-N 3.34Å; A47-I50 HydrophobicContact CB-CD1 3.78Å; A47-I50 HydrophobicContact CB-CG1 4.3Å; A47-A78 WeakPolarHBondContact O-CB 3.26Å
48E98.3Very high98Very high141 Ų14155.3 Ų55.366%0.65930%0.303SS*.SBendtrans-73.3-31.8172.9-62.7171.8-98.400111.5A78 L79E48-A78 WeakPolarHBondContact O-CA 3.32Å; E48-L79 PolarHBondContact O-N 3.47Å
49F98.7Very high98.1Very high48 Ų4855.3 Ų55.321%0.21129%0.292CS..EExtended strand (participates in β ladder)trans-134.4136.7179.8-61.4-86.5000110.7A47 L79 I81 R135 A136 I139A47-F49 VanDerWaalsContact C-N 3.34Å; F49-L79 WeakPolarHBondContact CA-O 3.47Å; F49-L79 HydrophobicContact CD1-CB 3.98Å; F49-L79 HydrophobicContact CD1-CD2 4.27Å; F49-L79 HydrophobicContact CD1-CG 4.44Å; F49-L79 HydrophobicContact CE1-CB 4.22Å; F49-L79 HydrophobicContact CE1-CD2 4.03Å; F49-I81 HydrophobicContact CD1-CD1 4Å; F49-R135 HydrophobicContact CE1-CG 4.07Å; F49-R135 HydrophobicContact CZ-CG 3.94Å; F49-R135 WeakPolarHBondContact CZ-O 3.42Å; F49-A136 HydrophobicContact CE1-CB 4.44Å; F49-I139 HydrophobicContact CB-CD1 3.74Å; F49-I139 HydrophobicContact CD1-CG2 4.07Å; F49-I139 HydrophobicContact CD2-CD1 3.72Å; F49-I139 HydrophobicContact CE1-CG2 4.27Å; F49-I139 HydrophobicContact CG-CD1 3.83Å; F49-I139 HydrophobicContact CG-CG2 4.18Å
50I98.7Very high98.1Very high16 Ų1654 Ų548%0.08229%0.285CS..EExtended strand (participates in β ladder)trans-119.2123.3174.3-66.569.3000107.2A44 A47 V70 L74 A78 L79 V80 I81A44-I50 HydrophobicContact CB-CG1 4.07Å; A47-I50 HydrophobicContact CB-CD1 3.78Å; A47-I50 HydrophobicContact CB-CG1 4.3Å; I50-V70 HydrophobicContact CG1-CG1 4.19Å; I50-V70 HydrophobicContact CG2-CG1 4.04Å; I50-V70 HydrophobicContact CG2-CG2 4.12Å; I50-L74 HydrophobicContact CD1-CD1 3.21Å; I50-L74 HydrophobicContact CG1-CD1 3.82Å; I50-A78 HydrophobicContact CD1-CB 3.87Å; I50-L79 PolarHBondContact N-O 3.02Å; I50-V80 HydrophobicContact CB-CG2 4.21Å; I50-V80 CarbonylContact O-C 3.57Å; I50-V80 WeakPolarHBondContact O-CA 3.37Å; I50-I81 PolarHBondContact O-N 2.9Å
51I98.8Very high98.1Very high51 Ų5157.9 Ų57.926%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-110.8125.3178.3-67.4161.6000109.4L9 I81 M83 M143L9-I51 HydrophobicContact CD1-CD1 3.89Å; I51-I81 WeakPolarHBondContact CA-O 3.46Å; I51-I81 HydrophobicContact CG1-CB 4.16Å; I51-M83 HydrophobicContact CG2-CG 3.97Å; I51-M83 HydrophobicContact CG2-SD 3.61Å; I51-M143 HydrophobicContact CD1-CE 3.73Å; I51-M143 HydrophobicContact CD1-SD 4.4Å
52T98.6Very high98.1Very high7 Ų762.2 Ų62.24%0.04332%0.319CS..EExtended strand (participates in β ladder)trans-105.3136.6170.155.10000110.7V63 L64 I81 D82 M83T52-V63 HydrophobicContact CG2-CG1 4.19Å; T52-L64 HydrophobicContact CG2-CD2 4.41Å; T52-I81 PolarHBondContact N-O 3.4Å; T52-D82 VanDerWaalsContact OG1-CA 3.28Å; T52-D82 WeakPolarHBondContact OG1-CA 3.34Å; T52-D82 WeakPolarHBondContact OG1-CB 3.45Å; T52-D82 VanDerWaalsContact OG1-CG 3.31Å; T52-D82 PolarHBondContact OG1-OD1 2.9Å; T52-M83 PolarHBondContact O-N 3Å
53M98.2Very high98.1Very high48 Ų4859.1 Ų59.124%0.23631%0.307CS..  trans-141.383.9176.2-170.762.3-173.300109.8M1 M5 M83 V110M1-M53 HydrophobicContact CB-CE 3.35Å; M1-M53 HydrophobicContact CB-CG 3.87Å; M1-M53 HydrophobicContact CB-SD 4.35Å; M1-M53 HydrophobicContact CG-CE 3.67Å; M5-M53 HydrophobicContact SD-CG 4.18Å; M5-M53 HydrophobicContact SD-SD 4.34Å; M53-M83 HydrophobicContact SD-CB 3.81Å; M53-V110 HydrophobicContact CE-CG2 3.79Å
54L98Very high98.1Very high48 Ų4858.1 Ų58.125%0.25130%0.298SS..  trans-123.4160.3-165-61.2172.7000112.3N56 L59 V60 V63 S84L54-N56 PolarHBondContact O-N 3.17Å; L54-L59 HydrophobicContact CB-CB 4.38Å; L54-L59 HydrophobicContact CD1-CB 4.43Å; L54-V60 HydrophobicContact CB-CG2 3.99Å; L54-V60 HydrophobicContact CD1-CB 4.42Å; L54-V60 HydrophobicContact CD1-CG2 3.99Å; L54-V60 HydrophobicContact CG-CG2 4.48Å; L54-V63 HydrophobicContact CD1-CB 3.97Å; L54-V63 HydrophobicContact CD1-CG1 4.37Å; L54-V63 HydrophobicContact CD1-CG2 3.74Å; L54-S84 PolarHBondContact N-OG 3.28Å; L54-S84 WeakPolarHBondContact O-CB 3.41Å
55P96.3Very high98.1Very high107 Ų10760.6 Ų60.670%0.69531%0.309SS*.SBendtrans-66.2-29.3-176.2-25.434.2000116.3L59P55-L59 HydrophobicContact CB-CD1 4.12Å; P55-L59 HydrophobicContact CG-CD1 3.93Å
56N96.8Very high98.1Very high67 Ų6755.1 Ų55.136%0.35829%0.29SS..SBendtrans-158.2167.7-175.766.257.5000112.5L54 D58 L59 V60L54-N56 PolarHBondContact O-N 3.17Å; N56-D58 PolarHBondContact O-N 2.97Å; N56-D58 PolarHBondContact OD1-N 3.42Å; N56-D58 VanDerWaalsContact OD1-N 3.09Å; N56-L59 PolarHBondContact O-N 3.12Å; N56-L59 WeakPolarHBondContact OD1-CG 3.38Å; N56-L59 PolarHBondContact OD1-N 2.65Å; N56-V60 WeakPolarHBondContact O-CG2 3.33Å; N56-V60 PolarHBondContact O-N 2.98Å
57G97.6Very high98.2Very high2 Ų257.6 Ų57.62%0.02130%0.298CS..Hα-helixtrans-68.8-26-175.500000115.1V60 R61 I86G57-V60 PolarHBondContact O-N 3.26Å; G57-R61 WeakPolarHBondContact O-CB 3.29Å; G57-R61 PolarHBondContact O-N 2.71Å; G57-I86 VanDerWaalsContact N-CG2 3.33Å
58D98.5Very high98.2Very high110 Ų11059.8 Ų59.859%0.58831%0.307SS*.Hα-helixtrans-70.7-38.7177.1-61.8-30.5000110.6N56 R61 N62 Q90N56-D58 PolarHBondContact O-N 2.97Å; N56-D58 PolarHBondContact OD1-N 3.42Å; N56-D58 VanDerWaalsContact OD1-N 3.09Å; D58-R61 PolarHBondContact O-N 3.38Å; D58-N62 WeakPolarHBondContact O-CB 3.33Å; D58-N62 PolarHBondContact O-N 3.19Å; D58-Q90 PolarHBondContact OD1-NE2 2.92Å
59L98.4Very high98.2Very high74 Ų7453.1 Ų53.139%0.38728%0.276SS..Hα-helixtrans-66-41.5172.6-66.6175.9000111.6L54 P55 N56 R61 N62 V63L54-L59 HydrophobicContact CB-CB 4.38Å; L54-L59 HydrophobicContact CD1-CB 4.43Å; P55-L59 HydrophobicContact CB-CD1 4.12Å; P55-L59 HydrophobicContact CG-CD1 3.93Å; N56-L59 PolarHBondContact O-N 3.12Å; N56-L59 WeakPolarHBondContact OD1-CG 3.38Å; N56-L59 PolarHBondContact OD1-N 2.65Å; L59-R61 VanDerWaalsContact C-N 3.34Å; L59-N62 PolarHBondContact O-N 3.07Å; L59-V63 WeakPolarHBondContact O-CB 3.5Å; L59-V63 WeakPolarHBondContact O-CG2 3.22Å; L59-V63 PolarHBondContact O-N 3.39Å
60V98.7Very high98.2Very high0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-59-48173-179.90000110.2L54 N56 G57 N62 V63 L64 D82 I86 L94L54-V60 HydrophobicContact CB-CG2 3.99Å; L54-V60 HydrophobicContact CD1-CB 4.42Å; L54-V60 HydrophobicContact CD1-CG2 3.99Å; L54-V60 HydrophobicContact CG-CG2 4.48Å; N56-V60 WeakPolarHBondContact O-CG2 3.33Å; N56-V60 PolarHBondContact O-N 2.98Å; G57-V60 PolarHBondContact O-N 3.26Å; V60-N62 VanDerWaalsContact C-N 3.34Å; V60-N62 PolarHBondContact O-N 3.19Å; V60-V63 PolarHBondContact O-N 3.09Å; V60-L64 HydrophobicContact CG1-CD1 3.84Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CB 3.45Å; V60-L64 VanDerWaalsContact O-CG 3.28Å; V60-L64 WeakPolarHBondContact O-CG 3.44Å; V60-L64 PolarHBondContact O-N 2.86Å; V60-D82 HydrophobicContact CG1-CB 4.47Å; V60-I86 HydrophobicContact CG2-CG2 4.12Å; V60-L94 HydrophobicContact CB-CD1 4.18Å; V60-L94 HydrophobicContact CG1-CD1 3.62Å
61R98.7Very high98.2Very high98 Ų9851.3 Ų51.337%0.3727%0.27SS..Hα-helixtrans-58-46.2177.1-171.6175.7-174.475.46.4112G57 D58 L59 L64 F65 L94 D97G57-R61 WeakPolarHBondContact O-CB 3.29Å; G57-R61 PolarHBondContact O-N 2.71Å; D58-R61 PolarHBondContact O-N 3.38Å; L59-R61 VanDerWaalsContact C-N 3.34Å; R61-L64 PolarHBondContact O-N 3.04Å; R61-F65 HydrophobicContact CG-CD2 4.05Å; R61-F65 PolarHBondContact O-N 3.25Å; R61-L94 HydrophobicContact CB-CD2 3.88Å; R61-L94 HydrophobicContact CG-CD2 4.06Å; R61-D97 IonicContact CZ-OD2 3.3Å; R61-D97 IonicContact NH1-OD2 3.62Å; R61-D97 PolarHBondContact NH1-OD2 3.19Å; R61-D97 IonicContact NH2-OD2 3.01Å; R61-D97 PolarHBondContact NH2-OD2 3.45Å
62N98.6Very high98.2Very high104 Ų10454.7 Ų54.756%0.55628%0.284SS*.Hα-helixtrans-66.1-41.2-179.4-171.861.2000112.2D58 L59 V60 L64 G66D58-N62 WeakPolarHBondContact O-CB 3.33Å; D58-N62 PolarHBondContact O-N 3.19Å; L59-N62 PolarHBondContact O-N 3.07Å; V60-N62 VanDerWaalsContact C-N 3.34Å; V60-N62 PolarHBondContact O-N 3.19Å; N62-L64 VanDerWaalsContact C-N 3.29Å; N62-L64 PolarHBondContact O-N 3.15Å; N62-G66 WeakPolarHBondContact O-CA 3.35Å; N62-G66 PolarHBondContact O-N 3.11Å
63V98.6Very high98Very high29 Ų2955.4 Ų55.418%0.17629%0.293CS..Hα-helixtrans-64.9-35175.9165.70000111.5P40 T52 L54 L59 V60 G69 V70P40-V63 HydrophobicContact CB-CG1 4.03Å; P40-V63 HydrophobicContact CG-CG1 4.06Å; P40-V63 HydrophobicContact CG-CG2 4.43Å; T52-V63 HydrophobicContact CG2-CG1 4.19Å; L54-V63 HydrophobicContact CD1-CB 3.97Å; L54-V63 HydrophobicContact CD1-CG1 4.37Å; L54-V63 HydrophobicContact CD1-CG2 3.74Å; L59-V63 WeakPolarHBondContact O-CB 3.5Å; L59-V63 WeakPolarHBondContact O-CG2 3.22Å; L59-V63 PolarHBondContact O-N 3.39Å; V60-V63 PolarHBondContact O-N 3.09Å; V63-G69 CarbonylContact O-C 3.51Å; V63-G69 VanDerWaalsContact O-CA 3.24Å; V63-G69 WeakPolarHBondContact O-CA 3.49Å; V63-V70 HydrophobicContact CG1-CG2 4.04Å; V63-V70 PolarHBondContact O-N 3.2Å
64L98.8Very high98Very high0 Ų053.9 Ų53.90%029%0.286CS..Hα-helixtrans-78.3-46179.6-67.2178.5000113.3T52 V60 R61 N62 V70 C71 V80 L94 M105T52-L64 HydrophobicContact CG2-CD2 4.41Å; V60-L64 HydrophobicContact CG1-CD1 3.84Å; V60-L64 HydrophobicContact CG1-CG 4.32Å; V60-L64 WeakPolarHBondContact O-CB 3.45Å; V60-L64 VanDerWaalsContact O-CG 3.28Å; V60-L64 WeakPolarHBondContact O-CG 3.44Å; V60-L64 PolarHBondContact O-N 2.86Å; R61-L64 PolarHBondContact O-N 3.04Å; N62-L64 VanDerWaalsContact C-N 3.29Å; N62-L64 PolarHBondContact O-N 3.15Å; L64-V70 HydrophobicContact CD2-CB 3.98Å; L64-V70 HydrophobicContact CD2-CG1 4.21Å; L64-V70 HydrophobicContact CD2-CG2 4.11Å; L64-V70 PolarHBondContact O-N 3.42Å; L64-C71 WeakPolarHBondContact O-CB 3.32Å; L64-C71 PolarHBondContact O-N 3.09Å; L64-C71 PolarHBondContact O-SG 2.95Å; L64-V80 HydrophobicContact CD2-CG1 3.81Å; L64-L94 HydrophobicContact CD1-CD2 4.25Å; L64-M105 HydrophobicContact CD1-CE 4.15Å; L64-M105 HydrophobicContact CD1-SD 4.17Å
65F98.6Very high98Very high52 Ų5254 Ų5423%0.22829%0.291CS..Hα-helixtrans-121.9-7.2-166.4-57.9-73.6000114.9R61 C71 L94 D97 M98 K101R61-F65 HydrophobicContact CG-CD2 4.05Å; R61-F65 PolarHBondContact O-N 3.25Å; F65-C71 VanDerWaalsContact CD1-SG 3.57Å; F65-C71 VanDerWaalsContact CE1-SG 3.55Å; F65-L94 HydrophobicContact CD2-CD2 4.23Å; F65-L94 HydrophobicContact CE2-CD2 3.69Å; F65-D97 HydrophobicContact CE1-CB 4.1Å; F65-D97 HydrophobicContact CE2-CB 4.07Å; F65-D97 HydrophobicContact CZ-CB 3.52Å; F65-M98 HydrophobicContact CE1-CG 4.45Å; F65-M98 HydrophobicContact CE1-SD 3.74Å; F65-M98 HydrophobicContact CE2-SD 4.4Å; F65-M98 HydrophobicContact CZ-CG 3.77Å; F65-M98 HydrophobicContact CZ-SD 3.52Å; F65-M98 VanDerWaalsContact CZ-SD 3.52Å; F65-K101 HydrophobicContact CD1-CD 4.2Å; F65-K101 HydrophobicContact CE1-CD 3.94Å
66G97.9Very high98Very high15 Ų1553.3 Ų53.316%0.15529%0.285CS..SBendtrans-69.7178.2176.800000112N62 N68 G69N62-G66 WeakPolarHBondContact O-CA 3.35Å; N62-G66 PolarHBondContact O-N 3.11Å; G66-N68 PolarHBondContact O-N 3.07Å; G66-G69 VanDerWaalsContact O-CA 3.3Å; G66-G69 WeakPolarHBondContact O-CA 3.32Å; G66-G69 PolarHBondContact O-N 3.28Å
67E97.5Very high98Very high174 Ų17455.9 Ų55.981%0.81330%0.298SS*.THydrogen-bonded Turntrans-59130176.5-167.4-170.3162.900110.6G69E67-G69 PolarHBondContact O-N 3.46Å
68N98.2Very high98.1Very high65 Ų6555.8 Ų55.835%0.34830%0.298SS..THydrogen-bonded Turntrans58.829.1-171.3-51.3-78.6000113N39 P40 A41 G66 E72N39-N68 HydrophobicContact CB-CB 3.85Å; P40-N68 WeakPolarHBondContact CD-O 3.35Å; A41-N68 WeakPolarHBondContact CB-O 3.47Å; A41-N68 PolarHBondContact N-O 2.96Å; G66-N68 PolarHBondContact O-N 3.07Å; N68-E72 WeakPolarHBondContact CA-OE2 3.4Å; N68-E72 PolarHBondContact N-OE1 2.95Å; N68-E72 PolarHBondContact N-OE2 3.36Å
69G98.5Very high98.1Very high1 Ų150.6 Ų50.61%0.0127%0.27CS..  trans-73.2166178.500000113A41 V63 G66 E67 C71 E72A41-G69 WeakPolarHBondContact CA-O 3.38Å; A41-G69 VanDerWaalsContact CB-O 3.29Å; A41-G69 WeakPolarHBondContact CB-O 3.4Å; V63-G69 CarbonylContact O-C 3.51Å; V63-G69 VanDerWaalsContact O-CA 3.24Å; V63-G69 WeakPolarHBondContact O-CA 3.49Å; G66-G69 VanDerWaalsContact O-CA 3.3Å; G66-G69 WeakPolarHBondContact O-CA 3.32Å; G66-G69 PolarHBondContact O-N 3.28Å; E67-G69 PolarHBondContact O-N 3.46Å; G69-C71 PolarHBondContact O-N 2.98Å; G69-C71 VanDerWaalsContact O-N 3.16Å; G69-E72 PolarHBondContact O-N 3.45Å
70V98.7Very high98.1Very high4 Ų447.1 Ų47.12%0.02425%0.252CS..Hα-helixtrans-48.6-45.5179.3168.90000111.4P40 A44 I50 V63 L64 E72 G73 L74 V80P40-V70 HydrophobicContact CB-CG2 3.89Å; A44-V70 HydrophobicContact CB-CB 4.41Å; A44-V70 HydrophobicContact CB-CG1 3.88Å; I50-V70 HydrophobicContact CG1-CG1 4.19Å; I50-V70 HydrophobicContact CG2-CG1 4.04Å; I50-V70 HydrophobicContact CG2-CG2 4.12Å; V63-V70 HydrophobicContact CG1-CG2 4.04Å; V63-V70 PolarHBondContact O-N 3.2Å; L64-V70 HydrophobicContact CD2-CB 3.98Å; L64-V70 HydrophobicContact CD2-CG1 4.21Å; L64-V70 HydrophobicContact CD2-CG2 4.11Å; L64-V70 PolarHBondContact O-N 3.42Å; V70-E72 PolarHBondContact O-N 3.44Å; V70-G73 PolarHBondContact O-N 2.99Å; V70-L74 HydrophobicContact CG1-CB 4.25Å; V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 HydrophobicContact CG1-CD2 4.14Å; V70-L74 HydrophobicContact CG1-CG 4.38Å; V70-L74 VanDerWaalsContact O-CB 3.3Å; V70-L74 WeakPolarHBondContact O-CB 3.3Å; V70-L74 PolarHBondContact O-N 3.32Å; V70-V80 HydrophobicContact CG1-CG2 4.44Å
71C98.3Very high98.1Very high21 Ų2147.1 Ų47.114%0.14225%0.252CS..Hα-helixtrans-59-20-177-68.40000114.8L64 F65 G69 F103L64-C71 WeakPolarHBondContact O-CB 3.32Å; L64-C71 PolarHBondContact O-N 3.09Å; L64-C71 PolarHBondContact O-SG 2.95Å; F65-C71 VanDerWaalsContact CD1-SG 3.57Å; F65-C71 VanDerWaalsContact CE1-SG 3.55Å; G69-C71 PolarHBondContact O-N 2.98Å; G69-C71 VanDerWaalsContact O-N 3.16Å; C71-F103 HydrophobicContact CB-CE2 3.98Å
72E97.8Very high98.1Very high122 Ų12242.5 Ų42.557%0.5723%0.234SC*.Hα-helixtrans-79.8-22.1178.7-64.5-179.2-16400112.8A41 N68 G69 V70A41-E72 HydrophobicContact CB-CB 4.06Å; N68-E72 WeakPolarHBondContact CA-OE2 3.4Å; N68-E72 PolarHBondContact N-OE1 2.95Å; N68-E72 PolarHBondContact N-OE2 3.36Å; G69-E72 PolarHBondContact O-N 3.45Å; V70-E72 PolarHBondContact O-N 3.44Å
73G96Very high98.1Very high22 Ų2237.5 Ų37.523%0.22721%0.208CC..Hα-helixtrans-116.51.317800000114.2K45 V70K45-G73 WeakPolarHBondContact CA-O 3.41Å; V70-G73 PolarHBondContact O-N 2.99Å
74L98Very high98.1Very high16 Ų1636.2 Ų36.28%0.08420%0.2CC..  trans-79.2130.4-172-170.864000111.8I50 V70 A78 V80 M98 F103I50-L74 HydrophobicContact CD1-CD1 3.21Å; I50-L74 HydrophobicContact CG1-CD1 3.82Å; V70-L74 HydrophobicContact CG1-CB 4.25Å; V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 HydrophobicContact CG1-CD2 4.14Å; V70-L74 HydrophobicContact CG1-CG 4.38Å; V70-L74 VanDerWaalsContact O-CB 3.3Å; V70-L74 WeakPolarHBondContact O-CB 3.3Å; V70-L74 PolarHBondContact O-N 3.32Å; L74-A78 HydrophobicContact CD1-CB 3.51Å; L74-A78 HydrophobicContact CG-CB 4.23Å; L74-V80 HydrophobicContact CD1-CG2 4.11Å; L74-V80 HydrophobicContact CD2-CG2 3.6Å; L74-M98 HydrophobicContact CD2-CE 3.7Å; L74-F103 HydrophobicContact CB-CD1 4.31Å; L74-F103 HydrophobicContact CB-CE1 3.94Å; L74-F103 HydrophobicContact CB-CZ 4.22Å; L74-F103 HydrophobicContact CD2-CB 3.92Å; L74-F103 HydrophobicContact CD2-CD1 3.55Å; L74-F103 HydrophobicContact CD2-CD2 4.17Å; L74-F103 HydrophobicContact CD2-CE1 4.04Å; L74-F103 HydrophobicContact CD2-CG 3.63Å; L74-F103 HydrophobicContact CG-CD1 3.89Å; L74-F103 HydrophobicContact CG-CE1 4.01Å; L74-F103 HydrophobicContact CG-CG 4.46Å; L74-F103 WeakPolarHBondContact O-CE1 3.31Å
75S97.6Very high98Very high51 Ų5139.4 Ų39.436%0.35722%0.22SC..  trans-70.3143.2166.4176.50000110.8D77 A78S75-D77 PolarHBondContact O-N 3.3Å; S75-D77 PolarHBondContact OG-N 3.33Å; S75-A78 VanDerWaalsContact O-CB 3.3Å; S75-A78 WeakPolarHBondContact O-CB 3.17Å; S75-A78 PolarHBondContact O-N 2.96Å
76T96.3Very high97.9Very high93 Ų9337.6 Ų37.657%0.57121%0.212SC*.THydrogen-bonded Turntrans-62-22.8172.549.40000112.9A78 F103T76-A78 VanDerWaalsContact C-N 3.34Å; T76-F103 HydrophobicContact CG2-CD1 4.46Å; T76-F103 HydrophobicContact CG2-CE1 4.17Å
77D97.6Very high97.9Very high120 Ų12041.8 Ų41.864%0.64223%0.227SC*.THydrogen-bonded Turntrans-83.6-10.8176.6-62-31.1000112.6S75 R135S75-D77 PolarHBondContact O-N 3.3Å; S75-D77 PolarHBondContact OG-N 3.33Å; D77-R135 PolarHBondContact O-NH1 2.81Å; D77-R135 PolarHBondContact O-NH2 2.9Å
78A98.5Very high98Very high1 Ų134.3 Ų34.31%0.00819%0.194CC..  trans-76153.1-178.400000112.4A47 E48 I50 L74 S75 T76A47-A78 WeakPolarHBondContact O-CB 3.26Å; E48-A78 WeakPolarHBondContact O-CA 3.32Å; I50-A78 HydrophobicContact CD1-CB 3.87Å; L74-A78 HydrophobicContact CD1-CB 3.51Å; L74-A78 HydrophobicContact CG-CB 4.23Å; S75-A78 VanDerWaalsContact O-CB 3.3Å; S75-A78 WeakPolarHBondContact O-CB 3.17Å; S75-A78 PolarHBondContact O-N 2.96Å; T76-A78 VanDerWaalsContact C-N 3.34Å
79L98.8Very high98Very high1 Ų136.7 Ų36.71%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-110.4120.1173.7178.958.8000111E48 F49 I50 I81 S104 M106 Q132 A136E48-L79 PolarHBondContact O-N 3.47Å; F49-L79 WeakPolarHBondContact CA-O 3.47Å; F49-L79 HydrophobicContact CD1-CB 3.98Å; F49-L79 HydrophobicContact CD1-CD2 4.27Å; F49-L79 HydrophobicContact CD1-CG 4.44Å; F49-L79 HydrophobicContact CE1-CB 4.22Å; F49-L79 HydrophobicContact CE1-CD2 4.03Å; I50-L79 PolarHBondContact N-O 3.02Å; L79-I81 HydrophobicContact CD2-CG1 4.43Å; L79-I81 HydrophobicContact CG-CG1 4.1Å; L79-S104 WeakPolarHBondContact CD1-OG 3.39Å; L79-M106 HydrophobicContact CD1-CG 4.38Å; L79-M106 HydrophobicContact CD2-SD 3.9Å; L79-M106 HydrophobicContact CG-SD 4.49Å; L79-Q132 HydrophobicContact CD1-CB 4.44Å; L79-Q132 HydrophobicContact CD1-CG 3.95Å; L79-Q132 HydrophobicContact CD2-CB 4.33Å; L79-A136 HydrophobicContact CD2-CB 3.98Å
80V98.9Very high97.9Very high0 Ų039.5 Ų39.50%022%0.219CC..EExtended strand (participates in β ladder)trans-87131.5171.9-177.80000110.1I50 L64 V70 L74 M98 S104 M105 M106I50-V80 HydrophobicContact CB-CG2 4.21Å; I50-V80 CarbonylContact O-C 3.57Å; I50-V80 WeakPolarHBondContact O-CA 3.37Å; L64-V80 HydrophobicContact CD2-CG1 3.81Å; V70-V80 HydrophobicContact CG1-CG2 4.44Å; L74-V80 HydrophobicContact CD1-CG2 4.11Å; L74-V80 HydrophobicContact CD2-CG2 3.6Å; V80-M98 HydrophobicContact CB-CE 3.97Å; V80-M98 HydrophobicContact CG1-CE 4.42Å; V80-M98 HydrophobicContact CG2-CE 3.43Å; V80-M98 VanDerWaalsContact CG2-CE 3.43Å; V80-S104 PolarHBondContact N-O 2.63Å; V80-M105 HydrophobicContact CB-CB 4.33Å; V80-M105 HydrophobicContact CB-CG 4.3Å; V80-M105 HydrophobicContact CG1-CG 4.28Å; V80-M105 CarbonylContact O-C 3.52Å; V80-M105 VanDerWaalsContact O-CA 3.26Å; V80-M105 WeakPolarHBondContact O-CA 3.48Å; V80-M106 PolarHBondContact O-N 3.2Å
81I98.9Very high97.9Very high0 Ų039.3 Ų39.30%022%0.218CC..EExtended strand (participates in β ladder)trans-125.1103.1-177.8-55.4-179.4000108F49 I50 I51 T52 L79 M83 M106 V108 A136 I139 L140F49-I81 HydrophobicContact CD1-CD1 4Å; I50-I81 PolarHBondContact O-N 2.9Å; I51-I81 WeakPolarHBondContact CA-O 3.46Å; I51-I81 HydrophobicContact CG1-CB 4.16Å; T52-I81 PolarHBondContact N-O 3.4Å; L79-I81 HydrophobicContact CD2-CG1 4.43Å; L79-I81 HydrophobicContact CG-CG1 4.1Å; I81-M83 HydrophobicContact CG2-CG 3.79Å; I81-M83 HydrophobicContact CG2-SD 4.29Å; I81-M106 WeakPolarHBondContact CA-O 3.29Å; I81-M106 HydrophobicContact CB-CG 4.41Å; I81-M106 HydrophobicContact CD1-SD 4.47Å; I81-M106 HydrophobicContact CG1-CG 3.98Å; I81-M106 HydrophobicContact CG1-SD 4.2Å; I81-M106 HydrophobicContact CG2-CG 4.32Å; I81-V108 HydrophobicContact CG2-CB 3.86Å; I81-V108 HydrophobicContact CG2-CG2 3.53Å; I81-A136 HydrophobicContact CD1-CB 3.82Å; I81-I139 HydrophobicContact CD1-CG2 4.19Å; I81-L140 HydrophobicContact CD1-CD2 4.4Å; I81-L140 HydrophobicContact CG2-CD2 4.24Å
82D98.8Very high98Very high1 Ų140.9 Ų40.91%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-86.6115.6172.3-17738000111.1T52 V60 S84 M105 M106 D107 V108T52-D82 VanDerWaalsContact OG1-CA 3.28Å; T52-D82 WeakPolarHBondContact OG1-CA 3.34Å; T52-D82 WeakPolarHBondContact OG1-CB 3.45Å; T52-D82 VanDerWaalsContact OG1-CG 3.31Å; T52-D82 PolarHBondContact OG1-OD1 2.9Å; V60-D82 HydrophobicContact CG1-CB 4.47Å; D82-S84 WeakPolarHBondContact OD1-CB 3.25Å; D82-S84 PolarHBondContact OD1-N 3.23Å; D82-S84 PolarHBondContact OD1-OG 2.84Å; D82-M105 HydrophobicContact CB-CE 3.6Å; D82-M106 PolarHBondContact N-O 3.01Å; D82-D107 CarbonylContact O-C 3.53Å; D82-D107 WeakPolarHBondContact O-CA 3.44Å; D82-V108 PolarHBondContact O-N 2.92Å
83M98.6Very high98Very high0 Ų040 Ų400%022%0.219CC..  trans-101.93.6-179.1-55.4-170.376.200112.6M5 I51 T52 M53 I81 V108 V110 L124 L140 M143M5-M83 HydrophobicContact CE-CB 4.25Å; M5-M83 HydrophobicContact CE-CE 3.69Å; M5-M83 HydrophobicContact CE-CG 4.41Å; M5-M83 HydrophobicContact CE-SD 3.33Å; M5-M83 WeakPolarHBondContact CE-SD 3.45Å; I51-M83 HydrophobicContact CG2-CG 3.97Å; I51-M83 HydrophobicContact CG2-SD 3.61Å; T52-M83 PolarHBondContact O-N 3Å; M53-M83 HydrophobicContact SD-CB 3.81Å; I81-M83 HydrophobicContact CG2-CG 3.79Å; I81-M83 HydrophobicContact CG2-SD 4.29Å; M83-V108 WeakPolarHBondContact CA-O 3.07Å; M83-V108 WeakPolarHBondContact CB-O 3.46Å; M83-V108 HydrophobicContact CE-CB 4.26Å; M83-V108 HydrophobicContact CE-CG1 4.08Å; M83-V108 WeakPolarHBondContact CE-O 3.34Å; M83-V108 HydrophobicContact CG-CB 4.22Å; M83-V108 WeakPolarHBondContact CG-O 3.39Å; M83-V110 HydrophobicContact CB-CG1 4.42Å; M83-V110 HydrophobicContact CE-CG1 3.58Å; M83-L124 HydrophobicContact CE-CD2 3.59Å; M83-L140 HydrophobicContact CE-CD2 3.97Å; M83-L140 HydrophobicContact SD-CD2 4.32Å; M83-M143 HydrophobicContact CE-CE 4.26Å; M83-M143 HydrophobicContact SD-CE 3.92Å
84S97.6Very high98.1Very high2 Ų239 Ų391%0.01421%0.209CC..SBendtrans-67.7154179.6-490000111.7L54 D82L54-S84 PolarHBondContact N-OG 3.28Å; L54-S84 WeakPolarHBondContact O-CB 3.41Å; D82-S84 WeakPolarHBondContact OD1-CB 3.25Å; D82-S84 PolarHBondContact OD1-N 3.23Å; D82-S84 PolarHBondContact OD1-OG 2.84Å
85T96.8Very high98.2Very high67 Ų6739.5 Ų39.541%0.41121%0.211SC..  trans-93101167.5-58.40000108.6I157 K160T85-I157 HydrophobicContact CG2-CD1 4.13Å; T85-K160 HydrophobicContact CG2-CG 4.46Å
86I97.3Very high98.2Very high14 Ų1439.4 Ų39.47%0.07221%0.213CC..  trans-127176-176.869.4169.8000111.8G57 V60 Q90 T91 L94 I157G57-I86 VanDerWaalsContact N-CG2 3.33Å; V60-I86 HydrophobicContact CG2-CG2 4.12Å; I86-Q90 HydrophobicContact CD1-CB 4.27Å; I86-T91 WeakPolarHBondContact CD1-OG1 3.37Å; I86-T91 VanDerWaalsContact CG1-OG1 3.24Å; I86-T91 WeakPolarHBondContact CG1-OG1 3.48Å; I86-L94 HydrophobicContact CD1-CD1 3.71Å; I86-I157 WeakPolarHBondContact O-CD1 3.45Å; I86-I157 WeakPolarHBondContact O-CG1 3.32Å
87H97.8Very high98.3Very high102 Ų10236.5 Ų36.547%0.47220%0.195SC..  trans-66.1135.9177.6-166.4-81.5000110.9L89 Q90 T91H87-L89 VanDerWaalsContact C-N 3.32Å; H87-L89 WeakPolarHBondContact ND1-CB 3.41Å; H87-L89 PolarHBondContact ND1-N 3.17Å; H87-L89 PolarHBondContact O-N 3.05Å; H87-Q90 HydrophobicContact CB-CB 4.19Å; H87-Q90 HydrophobicContact CB-CG 3.99Å; H87-Q90 VanDerWaalsContact CB-OE1 3.24Å; H87-Q90 WeakPolarHBondContact O-CA 3.48Å; H87-Q90 WeakPolarHBondContact O-CB 3.49Å; H87-Q90 PolarHBondContact O-N 3.47Å; H87-T91 PolarHBondContact O-N 3.21Å; H87-T91 PolarHBondContact O-OG1 3.22Å
88P98.1Very high98.4Very high17 Ų1730.8 Ų30.811%0.1116%0.164CC..Hα-helixtrans-55.9-42.3179.2-2835.1000113.6Q90 T91 D92 I157 R158 L161P88-Q90 VanDerWaalsContact C-N 3.3Å; P88-Q90 PolarHBondContact O-N 3.09Å; P88-T91 WeakPolarHBondContact O-CA 3.47Å; P88-T91 VanDerWaalsContact O-CB 3.28Å; P88-T91 WeakPolarHBondContact O-CB 3.26Å; P88-T91 PolarHBondContact O-N 3.11Å; P88-T91 VanDerWaalsContact O-N 3.08Å; P88-D92 PolarHBondContact O-N 3.3Å; P88-I157 HydrophobicContact CB-CG2 4.18Å; P88-I157 HydrophobicContact CG-CG2 4.33Å; P88-R158 HydrophobicContact CB-CG 4.03Å; P88-R158 HydrophobicContact CG-CG 4.21Å; P88-L161 HydrophobicContact CG-CD2 4.2Å
89L98.2Very high98.4Very high116 Ų11637.6 Ų37.661%0.60720%0.196SC*.Hα-helixtrans-64.8-30.5175.9-59.3178.1000113.6H87 K93H87-L89 VanDerWaalsContact C-N 3.32Å; H87-L89 WeakPolarHBondContact ND1-CB 3.41Å; H87-L89 PolarHBondContact ND1-N 3.17Å; H87-L89 PolarHBondContact O-N 3.05Å; L89-K93 WeakPolarHBondContact O-CB 3.33Å; L89-K93 PolarHBondContact O-N 3.34Å; L89-K93 VanDerWaalsContact O-N 3.11Å
90Q98.3Very high98.3Very high59 Ų5941.8 Ų41.828%0.27623%0.23SC..Hα-helixtrans-68.8-42.8172-72.2176.6-58.300109.5D58 I86 H87 P88 D92 K93 L94D58-Q90 PolarHBondContact OD1-NE2 2.92Å; I86-Q90 HydrophobicContact CD1-CB 4.27Å; H87-Q90 HydrophobicContact CB-CB 4.19Å; H87-Q90 HydrophobicContact CB-CG 3.99Å; H87-Q90 VanDerWaalsContact CB-OE1 3.24Å; H87-Q90 WeakPolarHBondContact O-CA 3.48Å; H87-Q90 WeakPolarHBondContact O-CB 3.49Å; H87-Q90 PolarHBondContact O-N 3.47Å; P88-Q90 VanDerWaalsContact C-N 3.3Å; P88-Q90 PolarHBondContact O-N 3.09Å; Q90-D92 PolarHBondContact O-N 3.03Å; Q90-K93 PolarHBondContact O-N 3.04Å; Q90-L94 WeakPolarHBondContact O-CG 3.43Å; Q90-L94 PolarHBondContact O-N 3.48Å
91T98.7Very high98.3Very high0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-56.6-50.2175.4-54.20000111.2I86 H87 P88 K93 L94 I95 D107 I157I86-T91 WeakPolarHBondContact CD1-OG1 3.37Å; I86-T91 VanDerWaalsContact CG1-OG1 3.24Å; I86-T91 WeakPolarHBondContact CG1-OG1 3.48Å; H87-T91 PolarHBondContact O-N 3.21Å; H87-T91 PolarHBondContact O-OG1 3.22Å; P88-T91 WeakPolarHBondContact O-CA 3.47Å; P88-T91 VanDerWaalsContact O-CB 3.28Å; P88-T91 WeakPolarHBondContact O-CB 3.26Å; P88-T91 PolarHBondContact O-N 3.11Å; P88-T91 VanDerWaalsContact O-N 3.08Å; T91-K93 VanDerWaalsContact C-N 3.3Å; T91-K93 PolarHBondContact O-N 3.35Å; T91-L94 PolarHBondContact O-N 3.1Å; T91-I95 HydrophobicContact CG2-CD1 3.84Å; T91-I95 WeakPolarHBondContact O-CG1 3.48Å; T91-I95 PolarHBondContact O-N 3.37Å; T91-D107 HydrophobicContact CG2-CB 3.7Å; T91-I157 HydrophobicContact CG2-CG2 4.1Å
92D98.6Very high98.2Very high54 Ų5450.2 Ų50.229%0.28928%0.28SS..Hα-helixtrans-58.5-43.3178.7-57.4-20.9000111.5P88 Q90 I95 A96 R158P88-D92 PolarHBondContact O-N 3.3Å; Q90-D92 PolarHBondContact O-N 3.03Å; D92-I95 PolarHBondContact O-N 3.22Å; D92-A96 WeakPolarHBondContact O-CB 3.41Å; D92-A96 PolarHBondContact O-N 3.15Å; D92-R158 IonicContact OD1-CZ 2.78Å; D92-R158 IonicContact OD1-NH1 2.74Å; D92-R158 PolarHBondContact OD1-NH1 2.98Å; D92-R158 IonicContact OD1-NH2 3.47Å; D92-R158 PolarHBondContact OD1-NH2 2.96Å; D92-R158 IonicContact OD2-CZ 3.64Å; D92-R158 IonicContact OD2-NH1 3.86Å; D92-R158 IonicContact OD2-NH2 2.79Å; D92-R158 PolarHBondContact OD2-NH2 2.85Å
93K98.7Very high98.2Very high103 Ų10351.5 Ų51.545%0.44829%0.286SS..Hα-helixtrans-65.6-40178.4-173.266171.575.50112.2L89 Q90 T91 D97L89-K93 WeakPolarHBondContact O-CB 3.33Å; L89-K93 PolarHBondContact O-N 3.34Å; L89-K93 VanDerWaalsContact O-N 3.11Å; Q90-K93 PolarHBondContact O-N 3.04Å; T91-K93 VanDerWaalsContact C-N 3.3Å; T91-K93 PolarHBondContact O-N 3.35Å; K93-D97 IonicContact NZ-OD1 3.95Å; K93-D97 PolarHBondContact NZ-OD1 3.33Å; K93-D97 IonicContact NZ-OD2 3.5Å; K93-D97 PolarHBondContact NZ-OD2 3.48Å; K93-D97 WeakPolarHBondContact O-CB 3.34Å; K93-D97 PolarHBondContact O-N 3.44Å
94L98.8Very high98.2Very high3 Ų353.3 Ų53.32%0.01630%0.298CS..Hα-helixtrans-64.3-47177-67.6170.3000110.6V60 R61 L64 F65 I86 Q90 T91 A96 D97 M98 M105V60-L94 HydrophobicContact CB-CD1 4.18Å; V60-L94 HydrophobicContact CG1-CD1 3.62Å; R61-L94 HydrophobicContact CB-CD2 3.88Å; R61-L94 HydrophobicContact CG-CD2 4.06Å; L64-L94 HydrophobicContact CD1-CD2 4.25Å; F65-L94 HydrophobicContact CD2-CD2 4.23Å; F65-L94 HydrophobicContact CE2-CD2 3.69Å; I86-L94 HydrophobicContact CD1-CD1 3.71Å; Q90-L94 WeakPolarHBondContact O-CG 3.43Å; Q90-L94 PolarHBondContact O-N 3.48Å; T91-L94 PolarHBondContact O-N 3.1Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-A96 PolarHBondContact O-N 2.99Å; L94-D97 PolarHBondContact O-N 2.97Å; L94-M98 WeakPolarHBondContact O-CB 3.48Å; L94-M98 VanDerWaalsContact O-CG 3.24Å; L94-M98 WeakPolarHBondContact O-CG 3.4Å; L94-M98 PolarHBondContact O-N 3.18Å; L94-M105 HydrophobicContact CB-CE 3.86Å; L94-M105 HydrophobicContact CB-SD 3.79Å; L94-M105 HydrophobicContact CD1-CE 4.19Å
95I98.7Very high98.3Very high25 Ų2553.4 Ų53.413%0.12830%0.299CS..Hα-helixtrans-58.4-46.9177.2-67.6165.4000110.5T91 D92 M98 Q99 M105 P153T91-I95 HydrophobicContact CG2-CD1 3.84Å; T91-I95 WeakPolarHBondContact O-CG1 3.48Å; T91-I95 PolarHBondContact O-N 3.37Å; D92-I95 PolarHBondContact O-N 3.22Å; I95-M98 PolarHBondContact O-N 3.01Å; I95-Q99 WeakPolarHBondContact O-CB 3.38Å; I95-Q99 PolarHBondContact O-N 3.31Å; I95-M105 HydrophobicContact CG1-CB 4.49Å; I95-M105 HydrophobicContact CG1-CG 4.22Å; I95-M105 HydrophobicContact CG1-SD 4.17Å; I95-P153 HydrophobicContact CD1-CB 4.05Å; I95-P153 HydrophobicContact CG2-CB 4.42Å
96A98.7Very high98.3Very high49 Ų4950.2 Ų50.241%0.40528%0.279SS..Hα-helixtrans-62.5-42.7177.500000112.8D92 L94 Q99 A100D92-A96 WeakPolarHBondContact O-CB 3.41Å; D92-A96 PolarHBondContact O-N 3.15Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-A96 PolarHBondContact O-N 2.99Å; A96-Q99 PolarHBondContact O-N 3.2Å; A96-A100 WeakPolarHBondContact O-CB 3.5Å; A96-A100 PolarHBondContact O-N 3.23Å
97D98.7Very high98.4Very high33 Ų3349.7 Ų49.718%0.17628%0.276CS..Hα-helixtrans-67.8-37.5179.3-73.5-11.4000112.1R61 F65 K93 L94 K101R61-D97 IonicContact CZ-OD2 3.3Å; R61-D97 IonicContact NH1-OD2 3.62Å; R61-D97 PolarHBondContact NH1-OD2 3.19Å; R61-D97 IonicContact NH2-OD2 3.01Å; R61-D97 PolarHBondContact NH2-OD2 3.45Å; F65-D97 HydrophobicContact CE1-CB 4.1Å; F65-D97 HydrophobicContact CE2-CB 4.07Å; F65-D97 HydrophobicContact CZ-CB 3.52Å; K93-D97 IonicContact NZ-OD1 3.95Å; K93-D97 PolarHBondContact NZ-OD1 3.33Å; K93-D97 IonicContact NZ-OD2 3.5Å; K93-D97 PolarHBondContact NZ-OD2 3.48Å; K93-D97 WeakPolarHBondContact O-CB 3.34Å; K93-D97 PolarHBondContact O-N 3.44Å; L94-D97 PolarHBondContact O-N 2.97Å; D97-K101 PolarHBondContact O-N 3.25Å
98M98.6Very high98.5Very high0 Ų044.8 Ų44.80%025%0.254CS..Hα-helixtrans-64-48.9173.5-71-63.4-76.700110.7F65 L74 V80 L94 I95 A100 K101 G102 F103 M105F65-M98 HydrophobicContact CE1-CG 4.45Å; F65-M98 HydrophobicContact CE1-SD 3.74Å; F65-M98 HydrophobicContact CE2-SD 4.4Å; F65-M98 HydrophobicContact CZ-CG 3.77Å; F65-M98 HydrophobicContact CZ-SD 3.52Å; F65-M98 VanDerWaalsContact CZ-SD 3.52Å; L74-M98 HydrophobicContact CD2-CE 3.7Å; V80-M98 HydrophobicContact CB-CE 3.97Å; V80-M98 HydrophobicContact CG1-CE 4.42Å; V80-M98 HydrophobicContact CG2-CE 3.43Å; V80-M98 VanDerWaalsContact CG2-CE 3.43Å; L94-M98 WeakPolarHBondContact O-CB 3.48Å; L94-M98 VanDerWaalsContact O-CG 3.24Å; L94-M98 WeakPolarHBondContact O-CG 3.4Å; L94-M98 PolarHBondContact O-N 3.18Å; I95-M98 PolarHBondContact O-N 3.01Å; M98-A100 VanDerWaalsContact C-N 3.33Å; M98-A100 PolarHBondContact O-N 3.38Å; M98-K101 CarbonylContact O-C 3.57Å; M98-K101 PolarHBondContact O-N 3.21Å; M98-K101 VanDerWaalsContact O-N 3.08Å; M98-G102 PolarHBondContact O-N 3.14Å; M98-F103 CarbonylContact C-O 3.3Å; M98-F103 VanDerWaalsContact C-O 3.31Å; M98-F103 HydrophobicContact CB-CB 4.34Å; M98-F103 HydrophobicContact CE-CB 3.58Å; M98-F103 HydrophobicContact CE-CD2 4.43Å; M98-F103 HydrophobicContact CE-CG 4.27Å; M98-F103 PolarHBondContact O-N 3.32Å; M98-F103 HydrophobicContact SD-CB 4.4Å; M98-M105 HydrophobicContact CB-CB 3.96Å; M98-M105 HydrophobicContact CG-CB 3.9Å; M98-M105 HydrophobicContact CG-CG 4.36Å; M98-M105 HydrophobicContact CG-SD 3.68Å
99Q98.1Very high98.5Very high144 Ų14444 Ų4467%0.67325%0.248SC*.Hα-helixtrans-60.6-41.9178.8-173.3-179.912.900111.9I95 A96 K101 G102 F103I95-Q99 WeakPolarHBondContact O-CB 3.38Å; I95-Q99 PolarHBondContact O-N 3.31Å; A96-Q99 PolarHBondContact O-N 3.2Å; Q99-K101 PolarHBondContact O-N 3.14Å; Q99-G102 PolarHBondContact O-N 2.88Å; Q99-F103 PolarHBondContact N-O 3Å
100A98.3Very high98.4Very high88 Ų8838.7 Ų38.773%0.72722%0.221SC*.Hα-helixtrans-62.3-24.1177.700000113.4A96 M98A96-A100 WeakPolarHBondContact O-CB 3.5Å; A96-A100 PolarHBondContact O-N 3.23Å; M98-A100 VanDerWaalsContact C-N 3.33Å; M98-A100 PolarHBondContact O-N 3.38Å
101K97.8Very high98.2Very high130 Ų13036 Ų3657%0.56521%0.209SC*.THydrogen-bonded Turntrans-93.11.7174.2-73.7176.8173-75.70113.7F65 D97 M98 Q99 F103F65-K101 HydrophobicContact CD1-CD 4.2Å; F65-K101 HydrophobicContact CE1-CD 3.94Å; D97-K101 PolarHBondContact O-N 3.25Å; M98-K101 CarbonylContact O-C 3.57Å; M98-K101 PolarHBondContact O-N 3.21Å; M98-K101 VanDerWaalsContact O-N 3.08Å; Q99-K101 PolarHBondContact O-N 3.14Å; K101-F103 HydrophobicContact CB-CD2 3.65Å; K101-F103 HydrophobicContact CB-CE2 3.89Å
102G97.9Very high98Very high47 Ų4741 Ų4149%0.48523%0.227SC..THydrogen-bonded Turntrans81.619-178.500000114.3M98 Q99M98-G102 PolarHBondContact O-N 3.14Å; Q99-G102 PolarHBondContact O-N 2.88Å
103F98.6Very high97.7Very high29 Ų2942 Ų4213%0.12724%0.236CC..  trans-106.5151.8178.6-59.5-58000112.3C71 L74 T76 M98 Q99 K101C71-F103 HydrophobicContact CB-CE2 3.98Å; L74-F103 HydrophobicContact CB-CD1 4.31Å; L74-F103 HydrophobicContact CB-CE1 3.94Å; L74-F103 HydrophobicContact CB-CZ 4.22Å; L74-F103 HydrophobicContact CD2-CB 3.92Å; L74-F103 HydrophobicContact CD2-CD1 3.55Å; L74-F103 HydrophobicContact CD2-CD2 4.17Å; L74-F103 HydrophobicContact CD2-CE1 4.04Å; L74-F103 HydrophobicContact CD2-CG 3.63Å; L74-F103 HydrophobicContact CG-CD1 3.89Å; L74-F103 HydrophobicContact CG-CE1 4.01Å; L74-F103 HydrophobicContact CG-CG 4.46Å; L74-F103 WeakPolarHBondContact O-CE1 3.31Å; T76-F103 HydrophobicContact CG2-CD1 4.46Å; T76-F103 HydrophobicContact CG2-CE1 4.17Å; M98-F103 CarbonylContact C-O 3.3Å; M98-F103 VanDerWaalsContact C-O 3.31Å; M98-F103 HydrophobicContact CB-CB 4.34Å; M98-F103 HydrophobicContact CE-CB 3.58Å; M98-F103 HydrophobicContact CE-CD2 4.43Å; M98-F103 HydrophobicContact CE-CG 4.27Å; M98-F103 PolarHBondContact O-N 3.32Å; M98-F103 HydrophobicContact SD-CB 4.4Å; Q99-F103 PolarHBondContact N-O 3Å; K101-F103 HydrophobicContact CB-CD2 3.65Å; K101-F103 HydrophobicContact CB-CE2 3.89Å
104S98.2Very high97.4Very high37 Ų3740.6 Ų40.626%0.25924%0.239SC..EExtended strand (participates in β ladder)trans-98.1131.8179.3-1650000111.3L79 V80 Q132L79-S104 WeakPolarHBondContact CD1-OG 3.39Å; V80-S104 PolarHBondContact N-O 2.63Å; S104-Q132 PolarHBondContact OG-NE2 2.8Å
105M98.7Very high97.3Very high5 Ų543 Ų433%0.02526%0.259CS..EExtended strand (participates in β ladder)trans-138.9141.8178-176.5-179.5177.600111.6L64 V80 D82 L94 I95 M98 Q132L64-M105 HydrophobicContact CD1-CE 4.15Å; L64-M105 HydrophobicContact CD1-SD 4.17Å; V80-M105 HydrophobicContact CB-CB 4.33Å; V80-M105 HydrophobicContact CB-CG 4.3Å; V80-M105 HydrophobicContact CG1-CG 4.28Å; V80-M105 CarbonylContact O-C 3.52Å; V80-M105 VanDerWaalsContact O-CA 3.26Å; V80-M105 WeakPolarHBondContact O-CA 3.48Å; D82-M105 HydrophobicContact CB-CE 3.6Å; L94-M105 HydrophobicContact CB-CE 3.86Å; L94-M105 HydrophobicContact CB-SD 3.79Å; L94-M105 HydrophobicContact CD1-CE 4.19Å; I95-M105 HydrophobicContact CG1-CB 4.49Å; I95-M105 HydrophobicContact CG1-CG 4.22Å; I95-M105 HydrophobicContact CG1-SD 4.17Å; M98-M105 HydrophobicContact CB-CB 3.96Å; M98-M105 HydrophobicContact CG-CB 3.9Å; M98-M105 HydrophobicContact CG-CG 4.36Å; M98-M105 HydrophobicContact CG-SD 3.68Å; M105-Q132 PolarHBondContact O-NE2 3.33Å
106M98.6Very high97.3Very high0 Ų043.8 Ų43.80%026%0.264CS..EExtended strand (participates in β ladder)trans-133.2156.6167.668.5-175.5-5900110.8L79 V80 I81 D82 V108 A126 G127 Q132 V133 A136L79-M106 HydrophobicContact CD1-CG 4.38Å; L79-M106 HydrophobicContact CD2-SD 3.9Å; L79-M106 HydrophobicContact CG-SD 4.49Å; V80-M106 PolarHBondContact O-N 3.2Å; I81-M106 WeakPolarHBondContact CA-O 3.29Å; I81-M106 HydrophobicContact CB-CG 4.41Å; I81-M106 HydrophobicContact CD1-SD 4.47Å; I81-M106 HydrophobicContact CG1-CG 3.98Å; I81-M106 HydrophobicContact CG1-SD 4.2Å; I81-M106 HydrophobicContact CG2-CG 4.32Å; D82-M106 PolarHBondContact N-O 3.01Å; M106-V108 HydrophobicContact CE-CG2 3.61Å; M106-V108 HydrophobicContact CG-CG2 4.04Å; M106-V108 HydrophobicContact SD-CG2 4.14Å; M106-A126 HydrophobicContact CE-CB 3.89Å; M106-G127 WeakPolarHBondContact CB-O 3.01Å; M106-Q132 HydrophobicContact SD-CB 4.04Å; M106-V133 HydrophobicContact CE-CG2 3.88Å; M106-A136 HydrophobicContact CE-CB 4.49Å; M106-A136 HydrophobicContact SD-CB 3.73Å
107D98.8Very high97.2Very high2 Ų241.5 Ų41.51%0.01125%0.245CC..EExtended strand (participates in β ladder)trans-100.3134.5170.265.8-68.3000110.7D82 T91 G127 G154 G156 I157D82-D107 CarbonylContact O-C 3.53Å; D82-D107 WeakPolarHBondContact O-CA 3.44Å; T91-D107 HydrophobicContact CG2-CB 3.7Å; D107-G127 PolarHBondContact N-O 3.44Å; D107-G127 WeakPolarHBondContact O-CA 3.35Å; D107-G127 PolarHBondContact O-N 3.27Å; D107-G127 WeakPolarHBondContact OD1-CA 3.47Å; D107-G154 WeakPolarHBondContact OD1-CA 3.2Å; D107-G154 PolarHBondContact OD1-N 3.18Å; D107-G156 WeakPolarHBondContact OD2-CA 3.33Å; D107-G156 PolarHBondContact OD2-N 2.75Å; D107-G156 VanDerWaalsContact OD2-N 3.09Å; D107-I157 PolarHBondContact OD2-N 2.97Å
108V98.8Very high97.1Very high0 Ų045.2 Ų45.20%026%0.263CS..  trans-137.962.9176.6-166.30000110.7I81 D82 M83 M106 L124 L125 A126 L140I81-V108 HydrophobicContact CG2-CB 3.86Å; I81-V108 HydrophobicContact CG2-CG2 3.53Å; D82-V108 PolarHBondContact O-N 2.92Å; M83-V108 WeakPolarHBondContact CA-O 3.07Å; M83-V108 WeakPolarHBondContact CB-O 3.46Å; M83-V108 HydrophobicContact CE-CB 4.26Å; M83-V108 HydrophobicContact CE-CG1 4.08Å; M83-V108 WeakPolarHBondContact CE-O 3.34Å; M83-V108 HydrophobicContact CG-CB 4.22Å; M83-V108 WeakPolarHBondContact CG-O 3.39Å; M106-V108 HydrophobicContact CE-CG2 3.61Å; M106-V108 HydrophobicContact CG-CG2 4.04Å; M106-V108 HydrophobicContact SD-CG2 4.14Å; V108-L124 HydrophobicContact CG1-CB 3.96Å; V108-L125 WeakPolarHBondContact CA-O 3.32Å; V108-A126 HydrophobicContact CG1-CB 4.41Å; V108-A126 HydrophobicContact CG2-CB 4.26Å; V108-L140 HydrophobicContact CB-CD2 4.28Å; V108-L140 HydrophobicContact CG1-CD1 4.13Å; V108-L140 HydrophobicContact CG1-CD2 3.89Å; V108-L140 HydrophobicContact CG2-CD1 4.15Å; V108-L140 HydrophobicContact CG2-CD2 4.3Å
109P98.3Very high97.1Very high0 Ų049.5 Ų49.50%029%0.29CS..  trans-60.1149.4175.924.3-32.9000111.4L125 G156 I157 K160P109-L125 WeakPolarHBondContact CD-O 3.46Å; P109-L125 HydrophobicContact CG-CB 4.34Å; P109-L125 WeakPolarHBondContact O-CB 3.44Å; P109-L125 PolarHBondContact O-N 2.93Å; P109-L125 VanDerWaalsContact O-N 3.1Å; P109-G156 WeakPolarHBondContact CG-O 3.41Å; P109-I157 HydrophobicContact CB-CD1 4.15Å; P109-I157 HydrophobicContact CG-CB 4.22Å; P109-I157 HydrophobicContact CG-CD1 4.2Å; P109-K160 HydrophobicContact CB-CB 4.02Å; P109-K160 HydrophobicContact CB-CG 3.97Å; P109-K160 HydrophobicContact CG-CB 3.91Å; P109-K160 HydrophobicContact CG-CG 4.41Å
110V97.1Very high97Very high5 Ų543.4 Ų43.43%0.0327%0.265CS..EExtended strand (participates in β ladder)trans-101131.9-172.2-57.20000111.5M1 M5 M53 M83 L122 L123 L124 K160M1-V110 HydrophobicContact CE-CG2 3.5Å; M5-V110 HydrophobicContact CE-CG1 4.41Å; M53-V110 HydrophobicContact CE-CG2 3.79Å; M83-V110 HydrophobicContact CB-CG1 4.42Å; M83-V110 HydrophobicContact CE-CG1 3.58Å; V110-L122 HydrophobicContact CB-CD1 4.44Å; V110-L122 HydrophobicContact CB-CD2 4.37Å; V110-L122 HydrophobicContact CG1-CD1 4.16Å; V110-L123 CarbonylContact C-O 3.48Å; V110-L123 WeakPolarHBondContact CA-O 3.34Å; V110-L124 HydrophobicContact CG1-CD2 3.81Å; V110-K160 WeakPolarHBondContact O-CE 3.4Å; V110-K160 PolarHBondContact O-NZ 3.26Å
111G94.1Very high97Very high2 Ų241.2 Ų41.22%0.02124%0.243CC..EExtended strand (participates in β ladder)trans-81.1178.9162.800000112.2L123G111-L123 PolarHBondContact N-O 3.5Å
112R93.1Very high97Very high104 Ų10435 Ų3539%0.39222%0.216SC..SBendtrans63-156.2-179-50.6176.2-177.6173.91.4112.4N116 T121 L123 S145 E146R112-N116 HydrophobicContact CB-CB 3.92Å; R112-N116 WeakPolarHBondContact CB-OD1 3.39Å; R112-T121 VanDerWaalsContact CD-O 3.27Å; R112-T121 WeakPolarHBondContact CD-O 3.42Å; R112-T121 PolarHBondContact NH1-O 3.21Å; R112-L123 HydrophobicContact CG-CB 3.94Å; R112-S145 PolarHBondContact NH1-OG 3Å; R112-E146 IonicContact CZ-OE2 3.85Å; R112-E146 IonicContact NH2-OE2 2.85Å; R112-E146 PolarHBondContact NH2-OE2 3.16Å
113T93.1Very high97.1Very high77 Ų7734.4 Ų34.447%0.47220%0.202SC..  trans-122.2176.4-167.2710000113.3A115 N116 A117T113-A115 PolarHBondContact O-N 3.47Å; T113-A115 PolarHBondContact OG1-N 3.48Å; T113-N116 PolarHBondContact N-OD1 3.29Å; T113-N116 WeakPolarHBondContact O-CB 3.12Å; T113-N116 PolarHBondContact O-N 3.19Å; T113-N116 VanDerWaalsContact O-N 3.08Å; T113-N116 PolarHBondContact OG1-OD1 2.92Å; T113-A117 PolarHBondContact O-N 3.11Å; T113-A117 VanDerWaalsContact O-N 3.14Å
114S93.2Very high97.1Very high72 Ų7233 Ų3350%0.50320%0.196SC..Hα-helixtrans-59.5-31172.453.90000113.4M1 N116 A117 I118M1-S114 VanDerWaalsContact SD-CA 3.6Å; S114-N116 VanDerWaalsContact C-N 3.25Å; S114-N116 PolarHBondContact O-N 3.07Å; S114-A117 WeakPolarHBondContact O-CB 3.41Å; S114-A117 PolarHBondContact O-N 3.33Å; S114-A117 VanDerWaalsContact O-N 3.13Å; S114-I118 WeakPolarHBondContact O-CG1 3.33Å; S114-I118 PolarHBondContact O-N 3.46Å
115A96.4Very high97.1Very high54 Ų5431.7 Ų31.745%0.44619%0.186SC..Hα-helixtrans-59.9-41.117400000110.8T113 A117 I118 T119T113-A115 PolarHBondContact O-N 3.47Å; T113-A115 PolarHBondContact OG1-N 3.48Å; A115-A117 VanDerWaalsContact C-N 3.34Å; A115-I118 WeakPolarHBondContact O-CB 3.5Å; A115-I118 PolarHBondContact O-N 3.49Å; A115-T119 PolarHBondContact O-N 3.41Å; A115-T119 PolarHBondContact O-OG1 3.48Å
116N98.1Very high97.1Very high42 Ų4231.5 Ų31.523%0.22519%0.185CC..Hα-helixtrans-72.1-28.3176.4-58.1101.5000112.9R112 T113 S114 I118 T119 G120 T121 L122R112-N116 HydrophobicContact CB-CB 3.92Å; R112-N116 WeakPolarHBondContact CB-OD1 3.39Å; T113-N116 PolarHBondContact N-OD1 3.29Å; T113-N116 WeakPolarHBondContact O-CB 3.12Å; T113-N116 PolarHBondContact O-N 3.19Å; T113-N116 VanDerWaalsContact O-N 3.08Å; T113-N116 PolarHBondContact OG1-OD1 2.92Å; S114-N116 VanDerWaalsContact C-N 3.25Å; S114-N116 PolarHBondContact O-N 3.07Å; N116-I118 VanDerWaalsContact C-N 3.32Å; N116-T119 WeakPolarHBondContact CA-OG1 3.43Å; N116-T119 PolarHBondContact O-OG1 3.5Å; N116-G120 PolarHBondContact O-N 2.85Å; N116-T121 WeakPolarHBondContact CB-O 3.27Å; N116-T121 PolarHBondContact ND2-OG1 3.38Å; N116-T121 VanDerWaalsContact ND2-OG1 3.12Å; N116-T121 PolarHBondContact O-N 3.04Å; N116-L122 HydrophobicContact CB-CD2 4.1Å
117A96.9Very high97.1Very high0 Ų031.5 Ų31.50%019%0.185CC..Hα-helixtrans-64.9-38.3169.600000111.2M1 P4 M5 N8 T113 S114 A115 L122M1-A117 HydrophobicContact CE-CB 4.06Å; M1-A117 HydrophobicContact SD-CB 4.18Å; P4-A117 HydrophobicContact CB-CB 4.11Å; P4-A117 HydrophobicContact CG-CB 3.77Å; M5-A117 HydrophobicContact CG-CB 4.26Å; N8-A117 PolarHBondContact ND2-O 2.85Å; T113-A117 PolarHBondContact O-N 3.11Å; T113-A117 VanDerWaalsContact O-N 3.14Å; S114-A117 WeakPolarHBondContact O-CB 3.41Å; S114-A117 PolarHBondContact O-N 3.33Å; S114-A117 VanDerWaalsContact O-N 3.13Å; A115-A117 VanDerWaalsContact C-N 3.34Å; A117-L122 HydrophobicContact CB-CD1 4.05Å; A117-L122 HydrophobicContact CB-CD2 4.01Å; A117-L122 HydrophobicContact CB-CG 4.25Å
118I97.1Very high97.1Very high111 Ų11131.5 Ų31.557%0.56919%0.185SC*.Hα-helixtrans-67.2-38178.8-67.2163000111.2P4 N8 S114 A115 N116P4-I118 HydrophobicContact CB-CB 4.37Å; P4-I118 HydrophobicContact CB-CG1 3.72Å; P4-I118 HydrophobicContact CG-CG1 4.27Å; N8-I118 PolarHBondContact OD1-O 2.8Å; S114-I118 WeakPolarHBondContact O-CG1 3.33Å; S114-I118 PolarHBondContact O-N 3.46Å; A115-I118 WeakPolarHBondContact O-CB 3.5Å; A115-I118 PolarHBondContact O-N 3.49Å; N116-I118 VanDerWaalsContact C-N 3.32Å
119T97.2Very high97.1Very high90 Ų9034.4 Ų34.455%0.55220%0.203SC*.THydrogen-bonded Turntrans-89.91.2-176.158.10000113.9A115 N116 T121A115-T119 PolarHBondContact O-N 3.41Å; A115-T119 PolarHBondContact O-OG1 3.48Å; N116-T119 WeakPolarHBondContact CA-OG1 3.43Å; N116-T119 PolarHBondContact O-OG1 3.5Å; T119-T121 VanDerWaalsContact C-N 3.28Å; T119-T121 PolarHBondContact O-N 3.04Å; T119-T121 PolarHBondContact OG1-OG1 3.01Å
120G97.2Very high97.1Very high16 Ų1638 Ų3817%0.16523%0.233CC..THydrogen-bonded Turntrans67.326.7-176.400000113.8N8 N116 M143 G144N8-G120 WeakPolarHBondContact ND2-CA 3.45Å; N8-G120 PolarHBondContact ND2-N 3.27Å; N116-G120 PolarHBondContact O-N 2.85Å; G120-M143 CarbonylContact C-O 3.55Å; G120-M143 VanDerWaalsContact C-O 3.32Å; G120-M143 CarbonylContact O-C 3.24Å; G120-G144 CarbonylContact O-C 3.32Å; G120-G144 VanDerWaalsContact O-C 3.24Å; G120-G144 WeakPolarHBondContact O-CA 3.39Å; G120-G144 PolarHBondContact O-N 3.05Å
121T98.1Very high97.1Very high42 Ų4245 Ų4526%0.25827%0.265SS..  trans-117.238.5-177.369.50000111.7R112 N116 T119R112-T121 VanDerWaalsContact CD-O 3.27Å; R112-T121 WeakPolarHBondContact CD-O 3.42Å; R112-T121 PolarHBondContact NH1-O 3.21Å; N116-T121 WeakPolarHBondContact CB-O 3.27Å; N116-T121 PolarHBondContact ND2-OG1 3.38Å; N116-T121 VanDerWaalsContact ND2-OG1 3.12Å; N116-T121 PolarHBondContact O-N 3.04Å; T119-T121 VanDerWaalsContact C-N 3.28Å; T119-T121 PolarHBondContact O-N 3.04Å; T119-T121 PolarHBondContact OG1-OG1 3.01Å
122L98.3Very high97.3Very high0 Ų045.9 Ų45.90%027%0.269CS..EExtended strand (participates in β ladder)trans-65.4151.5172.9-68.1169.5000111.7M1 M5 V110 N116 A117 L124 M143 G144 S145M1-L122 HydrophobicContact CE-CD2 3.81Å; M5-L122 HydrophobicContact CG-CD1 3.68Å; M5-L122 HydrophobicContact SD-CD1 3.99Å; V110-L122 HydrophobicContact CB-CD1 4.44Å; V110-L122 HydrophobicContact CB-CD2 4.37Å; V110-L122 HydrophobicContact CG1-CD1 4.16Å; N116-L122 HydrophobicContact CB-CD2 4.1Å; A117-L122 HydrophobicContact CB-CD1 4.05Å; A117-L122 HydrophobicContact CB-CD2 4.01Å; A117-L122 HydrophobicContact CB-CG 4.25Å; L122-L124 HydrophobicContact CB-CD2 3.85Å; L122-L124 HydrophobicContact CB-CG 4.47Å; L122-M143 WeakPolarHBondContact CB-O 3.4Å; L122-M143 PolarHBondContact N-O 3.37Å; L122-G144 VanDerWaalsContact O-CA 3.27Å; L122-G144 WeakPolarHBondContact O-CA 3.5Å; L122-S145 PolarHBondContact O-N 3.12Å
123L98.4Very high97.6Very high35 Ų3541.6 Ų41.618%0.18325%0.254CS..EExtended strand (participates in β ladder)trans-89.5124.8161.4169.762000107V110 G111 R112 L125 E146 I148V110-L123 CarbonylContact C-O 3.48Å; V110-L123 WeakPolarHBondContact CA-O 3.34Å; G111-L123 PolarHBondContact N-O 3.5Å; R112-L123 HydrophobicContact CG-CB 3.94Å; L123-L125 HydrophobicContact CD1-CD2 4.3Å; L123-L125 HydrophobicContact CD2-CD2 4.22Å; L123-L125 HydrophobicContact CG-CD2 4Å; L123-E146 HydrophobicContact CD1-CB 3.93Å; L123-E146 HydrophobicContact CD1-CG 3.68Å; L123-I148 HydrophobicContact CD1-CG1 3.73Å
124L98.7Very high97.8Very high0 Ų045.1 Ų45.10%027%0.265CS..EExtended strand (participates in β ladder)trans-110.8129.4-175.2-56.2177.2000109.2M83 V108 V110 L122 L140 E146 L147 I148M83-L124 HydrophobicContact CE-CD2 3.59Å; V108-L124 HydrophobicContact CG1-CB 3.96Å; V110-L124 HydrophobicContact CG1-CD2 3.81Å; L122-L124 HydrophobicContact CB-CD2 3.85Å; L122-L124 HydrophobicContact CB-CG 4.47Å; L124-L140 HydrophobicContact CD1-CB 3.7Å; L124-L140 HydrophobicContact CD1-CD2 4.36Å; L124-L140 WeakPolarHBondContact CD1-O 3.36Å; L124-E146 PolarHBondContact N-O 3.23Å; L124-L147 HydrophobicContact CB-CD1 3.65Å; L124-I148 PolarHBondContact O-N 3.27Å
125L98.6Very high98.1Very high9 Ų946.5 Ų46.55%0.04726%0.259CS..EExtended strand (participates in β ladder)trans-11390.4-175.5-54.1176.2000109.3V108 P109 L123 G127 I148 G156 V159 K160V108-L125 WeakPolarHBondContact CA-O 3.32Å; P109-L125 WeakPolarHBondContact CD-O 3.46Å; P109-L125 HydrophobicContact CG-CB 4.34Å; P109-L125 WeakPolarHBondContact O-CB 3.44Å; P109-L125 PolarHBondContact O-N 2.93Å; P109-L125 VanDerWaalsContact O-N 3.1Å; L123-L125 HydrophobicContact CD1-CD2 4.3Å; L123-L125 HydrophobicContact CD2-CD2 4.22Å; L123-L125 HydrophobicContact CG-CD2 4Å; L125-G127 PolarHBondContact O-N 3.44Å; L125-I148 CarbonylContact C-O 3.59Å; L125-I148 HydrophobicContact CD2-CB 4.05Å; L125-I148 HydrophobicContact CD2-CG1 4.31Å; L125-G156 WeakPolarHBondContact O-CA 3.27Å; L125-V159 HydrophobicContact CD1-CG1 4.25Å; L125-V159 HydrophobicContact CD2-CG1 4.44Å; L125-K160 HydrophobicContact CD1-CB 3.82Å; L125-K160 HydrophobicContact CD1-CD 4.13Å
126A98.7Very high98.2Very high0 Ų043.9 Ų43.90%024%0.238CC..EExtended strand (participates in β ladder)trans-82.5113.5-171.300000113.1M106 V108 V133 L147 I148 A150M106-A126 HydrophobicContact CE-CB 3.89Å; V108-A126 HydrophobicContact CG1-CB 4.41Å; V108-A126 HydrophobicContact CG2-CB 4.26Å; A126-V133 HydrophobicContact CB-CG1 4.42Å; A126-V133 HydrophobicContact CB-CG2 4Å; A126-L147 HydrophobicContact CB-CD1 3.83Å; A126-I148 PolarHBondContact N-O 3.46Å; A126-A150 WeakPolarHBondContact O-CB 3.26Å; A126-A150 PolarHBondContact O-N 3.05Å
127G98.7Very high98.2Very high0 Ų044.1 Ų44.10%024%0.241CC..BIsolated β-bridgetrans-100.688.3165.900000111.4M106 D107 L125 G152M106-G127 WeakPolarHBondContact CB-O 3.01Å; D107-G127 PolarHBondContact N-O 3.44Å; D107-G127 WeakPolarHBondContact O-CA 3.35Å; D107-G127 PolarHBondContact O-N 3.27Å; D107-G127 WeakPolarHBondContact OD1-CA 3.47Å; L125-G127 PolarHBondContact O-N 3.44Å; G127-G152 CarbonylContact C-O 3.53Å; G127-G152 VanDerWaalsContact C-O 3.3Å; G127-G152 WeakPolarHBondContact CA-O 3.13Å
128G98.5Very high98.3Very high2 Ų248.5 Ų48.52%0.02127%0.269CS..SBendtrans-154.2178.6176.400000111.5Q132 G152G128-Q132 VanDerWaalsContact CA-OE1 3.31Å; G128-G152 PolarHBondContact N-O 2.9Å; G128-G152 WeakPolarHBondContact O-CA 3.42Å
129T98.5Very high98.3Very high62 Ų6244 Ų4438%0.3825%0.246SC..  trans-66.7160.2168.671.20000110.4E131 Q132 V133 P153T129-E131 PolarHBondContact O-N 3.06Å; T129-Q132 PolarHBondContact O-N 3.01Å; T129-Q132 VanDerWaalsContact O-N 3.17Å; T129-Q132 VanDerWaalsContact OG1-CG 3.29Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.47Å; T129-Q132 PolarHBondContact OG1-N 3.34Å; T129-V133 VanDerWaalsContact O-CG2 3.31Å; T129-V133 WeakPolarHBondContact O-CG2 3.48Å; T129-V133 PolarHBondContact O-N 3.42Å; T129-P153 HydrophobicContact CG2-CG 4.3Å
130A98.1Very high98.3Very high76 Ų7639.8 Ų39.863%0.62822%0.22SC*.Hα-helixtrans-55.1-42177.700000112.2V133 E134A130-V133 PolarHBondContact O-N 3.5Å; A130-E134 WeakPolarHBondContact O-CB 3.42Å; A130-E134 PolarHBondContact O-N 2.88Å
131E98.2Very high98.4Very high151 Ų15142.6 Ų42.671%0.70623%0.23SC*.Hα-helixtrans-63.6-44.6176.7-176-175.6174.800112.6T129 V133 E134 R135T129-E131 PolarHBondContact O-N 3.06Å; E131-V133 VanDerWaalsContact C-N 3.33Å; E131-V133 PolarHBondContact O-N 3.29Å; E131-E134 PolarHBondContact O-N 3.31Å; E131-R135 VanDerWaalsContact O-CB 3.27Å; E131-R135 WeakPolarHBondContact O-CB 3.48Å; E131-R135 PolarHBondContact O-N 3.44Å
132Q98.6Very high98.4Very high21 Ų2141.1 Ų41.110%0.09822%0.222CC..Hα-helixtrans-61.6-43.4175.9-73.1172.3-3100111.3L79 S104 M105 M106 G128 T129 R135 A136L79-Q132 HydrophobicContact CD1-CB 4.44Å; L79-Q132 HydrophobicContact CD1-CG 3.95Å; L79-Q132 HydrophobicContact CD2-CB 4.33Å; S104-Q132 PolarHBondContact OG-NE2 2.8Å; M105-Q132 PolarHBondContact O-NE2 3.33Å; M106-Q132 HydrophobicContact SD-CB 4.04Å; G128-Q132 VanDerWaalsContact CA-OE1 3.31Å; T129-Q132 PolarHBondContact O-N 3.01Å; T129-Q132 VanDerWaalsContact O-N 3.17Å; T129-Q132 VanDerWaalsContact OG1-CG 3.29Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.47Å; T129-Q132 PolarHBondContact OG1-N 3.34Å; Q132-R135 PolarHBondContact O-N 2.73Å; Q132-A136 WeakPolarHBondContact O-CB 3.38Å; Q132-A136 PolarHBondContact O-N 3.45Å
133V98.7Very high98.3Very high13 Ų1341.2 Ų41.28%0.07922%0.222CC..Hα-helixtrans-63.8-471791760000110.7M106 A126 T129 A130 E131 A136 T137 L147M106-V133 HydrophobicContact CE-CG2 3.88Å; A126-V133 HydrophobicContact CB-CG1 4.42Å; A126-V133 HydrophobicContact CB-CG2 4Å; T129-V133 VanDerWaalsContact O-CG2 3.31Å; T129-V133 WeakPolarHBondContact O-CG2 3.48Å; T129-V133 PolarHBondContact O-N 3.42Å; A130-V133 PolarHBondContact O-N 3.5Å; E131-V133 VanDerWaalsContact C-N 3.33Å; E131-V133 PolarHBondContact O-N 3.29Å; V133-A136 PolarHBondContact O-N 3.1Å; V133-T137 PolarHBondContact O-N 3.4Å; V133-T137 PolarHBondContact O-OG1 3.46Å; V133-L147 HydrophobicContact CG1-CD2 4.36Å
134E98.4Very high98.3Very high152 Ų15239.7 Ų39.771%0.7122%0.216SC*.Hα-helixtrans-58.4-50.9176.7-178174.8-169.900111A130 E131 A136 T137A130-E134 WeakPolarHBondContact O-CB 3.42Å; A130-E134 PolarHBondContact O-N 2.88Å; E131-E134 PolarHBondContact O-N 3.31Å; E134-A136 PolarHBondContact O-N 3.36Å; E134-T137 PolarHBondContact O-N 3.22Å
135R98.3Very high98.3Very high100 Ų10042.7 Ų42.738%0.37724%0.236SC..Hα-helixtrans-61.4-40.2179.5-177.1178.6172.9-167.7-2.6113F49 D77 E131 Q132F49-R135 HydrophobicContact CE1-CG 4.07Å; F49-R135 HydrophobicContact CZ-CG 3.94Å; F49-R135 WeakPolarHBondContact CZ-O 3.42Å; D77-R135 PolarHBondContact O-NH1 2.81Å; D77-R135 PolarHBondContact O-NH2 2.9Å; E131-R135 VanDerWaalsContact O-CB 3.27Å; E131-R135 WeakPolarHBondContact O-CB 3.48Å; E131-R135 PolarHBondContact O-N 3.44Å; Q132-R135 PolarHBondContact O-N 2.73Å
136A98.4Very high98.3Very high0 Ų046 Ų460%025%0.252CS..Hα-helixtrans-80.1-17.4-178.700000113.4F49 L79 I81 M106 Q132 V133 E134 I139 L140F49-A136 HydrophobicContact CE1-CB 4.44Å; L79-A136 HydrophobicContact CD2-CB 3.98Å; I81-A136 HydrophobicContact CD1-CB 3.82Å; M106-A136 HydrophobicContact CE-CB 4.49Å; M106-A136 HydrophobicContact SD-CB 3.73Å; Q132-A136 WeakPolarHBondContact O-CB 3.38Å; Q132-A136 PolarHBondContact O-N 3.45Å; V133-A136 PolarHBondContact O-N 3.1Å; E134-A136 PolarHBondContact O-N 3.36Å; A136-I139 WeakPolarHBondContact O-CG2 3.45Å; A136-I139 PolarHBondContact O-N 3.2Å; A136-L140 HydrophobicContact CB-CD1 3.71Å; A136-L140 HydrophobicContact CB-CG 4.06Å; A136-L140 WeakPolarHBondContact O-CB 3.21Å; A136-L140 VanDerWaalsContact O-CG 3.24Å; A136-L140 WeakPolarHBondContact O-CG 3.38Å; A136-L140 PolarHBondContact O-N 2.98Å
137T98.6Very high98.2Very high47 Ų4748 Ų4829%0.28826%0.262SS..Hα-helixtrans-53.6-46.5-173.1-69.40000113.4V133 E134 I139 L140 M141 L147V133-T137 PolarHBondContact O-N 3.4Å; V133-T137 PolarHBondContact O-OG1 3.46Å; E134-T137 PolarHBondContact O-N 3.22Å; T137-I139 PolarHBondContact O-N 2.95Å; T137-L140 PolarHBondContact O-N 3.47Å; T137-M141 HydrophobicContact CG2-CG 4.04Å; T137-M141 WeakPolarHBondContact O-CB 3.11Å; T137-M141 VanDerWaalsContact O-CG 3.26Å; T137-M141 WeakPolarHBondContact O-CG 3.41Å; T137-M141 PolarHBondContact O-N 3.42Å; T137-L147 HydrophobicContact CG2-CD2 4.12Å; T137-L147 WeakPolarHBondContact OG1-CD2 3.37Å
138P97.9Very high98.2Very high91 Ų9151.3 Ų51.359%0.59128%0.279SS*.Hα-helixtrans-59.3-44.6179.6-25.335.6000113.5A142P138-A142 PolarHBondContact O-N 3.11Å
139I97.9Very high98.2Very high18 Ų1855.3 Ų55.39%0.09230%0.3CS..Hα-helixtrans-74.9-33.9-178.8-153.8169.6000111.9L9 F49 I81 A136 T137 A142L9-I139 HydrophobicContact CD2-CD1 4.38Å; L9-I139 HydrophobicContact CD2-CG1 3.56Å; F49-I139 HydrophobicContact CB-CD1 3.74Å; F49-I139 HydrophobicContact CD1-CG2 4.07Å; F49-I139 HydrophobicContact CD2-CD1 3.72Å; F49-I139 HydrophobicContact CE1-CG2 4.27Å; F49-I139 HydrophobicContact CG-CD1 3.83Å; F49-I139 HydrophobicContact CG-CG2 4.18Å; I81-I139 HydrophobicContact CD1-CG2 4.19Å; A136-I139 WeakPolarHBondContact O-CG2 3.45Å; A136-I139 PolarHBondContact O-N 3.2Å; T137-I139 PolarHBondContact O-N 2.95Å; I139-A142 WeakPolarHBondContact O-CB 3.21Å; I139-A142 PolarHBondContact O-N 3.48Å
140L98.5Very high98.2Very high0 Ų053.4 Ų53.40%029%0.29CS..Hα-helixtrans-65.2-46.2175.7-74.1178.8000110.8I81 M83 V108 L124 A136 T137 A142 M143 G144 L147I81-L140 HydrophobicContact CD1-CD2 4.4Å; I81-L140 HydrophobicContact CG2-CD2 4.24Å; M83-L140 HydrophobicContact CE-CD2 3.97Å; M83-L140 HydrophobicContact SD-CD2 4.32Å; V108-L140 HydrophobicContact CB-CD2 4.28Å; V108-L140 HydrophobicContact CG1-CD1 4.13Å; V108-L140 HydrophobicContact CG1-CD2 3.89Å; V108-L140 HydrophobicContact CG2-CD1 4.15Å; V108-L140 HydrophobicContact CG2-CD2 4.3Å; L124-L140 HydrophobicContact CD1-CB 3.7Å; L124-L140 HydrophobicContact CD1-CD2 4.36Å; L124-L140 WeakPolarHBondContact CD1-O 3.36Å; A136-L140 HydrophobicContact CB-CD1 3.71Å; A136-L140 HydrophobicContact CB-CG 4.06Å; A136-L140 WeakPolarHBondContact O-CB 3.21Å; A136-L140 VanDerWaalsContact O-CG 3.24Å; A136-L140 WeakPolarHBondContact O-CG 3.38Å; A136-L140 PolarHBondContact O-N 2.98Å; T137-L140 PolarHBondContact O-N 3.47Å; L140-A142 PolarHBondContact O-N 2.88Å; L140-M143 HydrophobicContact CD2-CE 4.4Å; L140-M143 PolarHBondContact O-N 3.36Å; L140-G144 PolarHBondContact O-N 2.97Å; L140-L147 HydrophobicContact CD1-CD1 3.98Å; L140-L147 HydrophobicContact CD1-CD2 4.5Å
141M98.3Very high98.1Very high76 Ų7652.8 Ų52.837%0.37429%0.292SS..Hα-helixtrans-70.4-14-180-66.4-56.7-60.900113.7T137 M143 G144 L147T137-M141 HydrophobicContact CG2-CG 4.04Å; T137-M141 WeakPolarHBondContact O-CB 3.11Å; T137-M141 VanDerWaalsContact O-CG 3.26Å; T137-M141 WeakPolarHBondContact O-CG 3.41Å; T137-M141 PolarHBondContact O-N 3.42Å; M141-M143 PolarHBondContact O-N 3.26Å; M141-G144 WeakPolarHBondContact CE-O 3.13Å; M141-L147 HydrophobicContact SD-CB 3.92Å
142A97.7Very high98.1Very high11 Ų1146.3 Ų46.39%0.09127%0.265CS..THydrogen-bonded Turntrans-66.7-17.3167.200000113.1N8 L9 Q12 P138 I139 L140N8-A142 VanDerWaalsContact CB-O 3.28Å; N8-A142 WeakPolarHBondContact CB-O 3.4Å; L9-A142 HydrophobicContact CD2-CB 3.78Å; Q12-A142 HydrophobicContact CB-CB 4.01Å; Q12-A142 HydrophobicContact CG-CB 3.75Å; P138-A142 PolarHBondContact O-N 3.11Å; I139-A142 WeakPolarHBondContact O-CB 3.21Å; I139-A142 PolarHBondContact O-N 3.48Å; L140-A142 PolarHBondContact O-N 2.88Å
143M97.6Very high98.1Very high1 Ų148 Ų481%0.00528%0.278CS..THydrogen-bonded Turntrans-119-7.8-179.6-55177.2-73.600113.5M5 N8 L9 I51 M83 G120 L122 L140 M141M5-M143 HydrophobicContact CB-CG 4.45Å; M5-M143 HydrophobicContact CB-SD 3.69Å; M5-M143 HydrophobicContact CE-CE 4.42Å; M5-M143 HydrophobicContact CE-SD 3.95Å; M5-M143 HydrophobicContact CG-SD 4.31Å; N8-M143 HydrophobicContact CB-CG 4.43Å; L9-M143 HydrophobicContact CD1-CE 4.41Å; L9-M143 HydrophobicContact CD1-CG 4.4Å; L9-M143 HydrophobicContact CD1-SD 3.7Å; L9-M143 HydrophobicContact CD2-CE 4.27Å; L9-M143 HydrophobicContact CD2-CG 3.82Å; L9-M143 HydrophobicContact CD2-SD 4.03Å; L9-M143 HydrophobicContact CG-CG 3.74Å; L9-M143 HydrophobicContact CG-SD 3.72Å; I51-M143 HydrophobicContact CD1-CE 3.73Å; I51-M143 HydrophobicContact CD1-SD 4.4Å; M83-M143 HydrophobicContact CE-CE 4.26Å; M83-M143 HydrophobicContact SD-CE 3.92Å; G120-M143 CarbonylContact C-O 3.55Å; G120-M143 VanDerWaalsContact C-O 3.32Å; G120-M143 CarbonylContact O-C 3.24Å; L122-M143 WeakPolarHBondContact CB-O 3.4Å; L122-M143 PolarHBondContact N-O 3.37Å; L140-M143 HydrophobicContact CD2-CE 4.4Å; L140-M143 PolarHBondContact O-N 3.36Å; M141-M143 PolarHBondContact O-N 3.26Å
144G97.8Very high98Very high4 Ų447.4 Ų47.44%0.04128%0.275CS..EExtended strand (participates in β ladder)trans-134.3160.7-172.400000112.9G120 L122 L140 M141G120-G144 CarbonylContact O-C 3.32Å; G120-G144 VanDerWaalsContact O-C 3.24Å; G120-G144 WeakPolarHBondContact O-CA 3.39Å; G120-G144 PolarHBondContact O-N 3.05Å; L122-G144 VanDerWaalsContact O-CA 3.27Å; L122-G144 WeakPolarHBondContact O-CA 3.5Å; L140-G144 PolarHBondContact O-N 2.97Å; M141-G144 WeakPolarHBondContact CE-O 3.13Å
145S97.8Very high98Very high62 Ų6243.2 Ų43.243%0.43426%0.256SS..EExtended strand (participates in β ladder)trans-110.7-5.6174.275.80000112.7R112 L122R112-S145 PolarHBondContact NH1-OG 3Å; L122-S145 PolarHBondContact O-N 3.12Å
146E98.2Very high98.1Very high80 Ų8038.4 Ų38.437%0.37424%0.238SC..EExtended strand (participates in β ladder)trans-152.3129.8-175-171.8178.1-179.300109.4R112 L123 L124 I148R112-E146 IonicContact CZ-OE2 3.85Å; R112-E146 IonicContact NH2-OE2 2.85Å; R112-E146 PolarHBondContact NH2-OE2 3.16Å; L123-E146 HydrophobicContact CD1-CB 3.93Å; L123-E146 HydrophobicContact CD1-CG 3.68Å; L124-E146 PolarHBondContact N-O 3.23Å; E146-I148 HydrophobicContact CG-CD1 4.31Å
147L98.5Very high98Very high42 Ų4238.6 Ų38.622%0.2224%0.238CC..EExtended strand (participates in β ladder)trans-122.7120.7178.7179.564.9000109.2L124 A126 V133 T137 L140 M141L124-L147 HydrophobicContact CB-CD1 3.65Å; A126-L147 HydrophobicContact CB-CD1 3.83Å; V133-L147 HydrophobicContact CG1-CD2 4.36Å; T137-L147 HydrophobicContact CG2-CD2 4.12Å; T137-L147 WeakPolarHBondContact OG1-CD2 3.37Å; L140-L147 HydrophobicContact CD1-CD1 3.98Å; L140-L147 HydrophobicContact CD1-CD2 4.5Å; M141-L147 HydrophobicContact SD-CB 3.92Å
148I98.3Very high98Very high69 Ų6939.9 Ų39.935%0.35424%0.238SC..EExtended strand (participates in β ladder)trans-107.9120.5175.7-57.4-61000108.2L123 L124 L125 A126 E146 A150L123-I148 HydrophobicContact CD1-CG1 3.73Å; L124-I148 PolarHBondContact O-N 3.27Å; L125-I148 CarbonylContact C-O 3.59Å; L125-I148 HydrophobicContact CD2-CB 4.05Å; L125-I148 HydrophobicContact CD2-CG1 4.31Å; A126-I148 PolarHBondContact N-O 3.46Å; E146-I148 HydrophobicContact CG-CD1 4.31Å; I148-A150 PolarHBondContact O-N 3.38Å
149N97.8Very high98Very high85 Ų8538.6 Ų38.646%0.45523%0.229SC..EExtended strand (participates in β ladder)trans-75.5114.5168.7-173.1-23.6000109G151N149-G151 PolarHBondContact O-N 3.4Å; N149-G151 PolarHBondContact OD1-N 3.23Å
150A97.7Very high98Very high22 Ų2238.5 Ų38.518%0.18223%0.227CC..  trans-80.7-1.7-175.100000113.6A126 I148 M155 V159A126-A150 WeakPolarHBondContact O-CB 3.26Å; A126-A150 PolarHBondContact O-N 3.05Å; I148-A150 PolarHBondContact O-N 3.38Å; A150-M155 VanDerWaalsContact CB-C 3.47Å; A150-M155 HydrophobicContact CB-CB 3.75Å; A150-M155 WeakPolarHBondContact O-CB 3.33Å; A150-V159 HydrophobicContact CB-CG2 4.04Å
151G96Very high98Very high64 Ų6443 Ų4366%0.6625%0.251SS*.SBendtrans95.919.4172.800000115.4N149N149-G151 PolarHBondContact O-N 3.4Å; N149-G151 PolarHBondContact OD1-N 3.23Å
152G98.1Very high98Very high14 Ų1444.5 Ų44.514%0.14426%0.259CS..SBendtrans137.5174.8170.900000114.6G127 G128 G154 M155G127-G152 CarbonylContact C-O 3.53Å; G127-G152 VanDerWaalsContact C-O 3.3Å; G127-G152 WeakPolarHBondContact CA-O 3.13Å; G128-G152 PolarHBondContact N-O 2.9Å; G128-G152 WeakPolarHBondContact O-CA 3.42Å; G152-G154 PolarHBondContact O-N 2.69Å; G152-M155 VanDerWaalsContact O-CB 3.28Å; G152-M155 WeakPolarHBondContact O-CB 3.39Å; G152-M155 WeakPolarHBondContact O-CG 3.35Å; G152-M155 PolarHBondContact O-N 2.89Å; G152-M155 VanDerWaalsContact O-N 3.08Å
153P98.4Very high97.9Very high58 Ų5847.6 Ų47.638%0.37728%0.275SS..THydrogen-bonded Turntrans-53.2133.2178.2-2534.3000112.7I95 T129 M155I95-P153 HydrophobicContact CD1-CB 4.05Å; I95-P153 HydrophobicContact CG2-CB 4.42Å; T129-P153 HydrophobicContact CG2-CG 4.3Å; P153-M155 PolarHBondContact O-N 3.48Å
154G98.3Very high97.9Very high0 Ų049.6 Ų49.60%029%0.285CS..THydrogen-bonded Turntrans76.7-3.3-179.100000114.7D107 G152 I157 R158D107-G154 WeakPolarHBondContact OD1-CA 3.2Å; D107-G154 PolarHBondContact OD1-N 3.18Å; G152-G154 PolarHBondContact O-N 2.69Å; G154-I157 WeakPolarHBondContact O-CG2 3.42Å; G154-R158 WeakPolarHBondContact O-CD 3.19Å; G154-R158 WeakPolarHBondContact O-CG 3.31Å; G154-R158 PolarHBondContact O-NH1 2.74Å
155M98.6Very high97.8Very high63 Ų6357.6 Ų57.631%0.3132%0.315SS..Hα-helixtrans-82-25.8-177.9-62.9-58.1111.700112.9A150 G152 P153 I157 R158 V159A150-M155 VanDerWaalsContact CB-C 3.47Å; A150-M155 HydrophobicContact CB-CB 3.75Å; A150-M155 WeakPolarHBondContact O-CB 3.33Å; G152-M155 VanDerWaalsContact O-CB 3.28Å; G152-M155 WeakPolarHBondContact O-CB 3.39Å; G152-M155 WeakPolarHBondContact O-CG 3.35Å; G152-M155 PolarHBondContact O-N 2.89Å; G152-M155 VanDerWaalsContact O-N 3.08Å; P153-M155 PolarHBondContact O-N 3.48Å; M155-I157 PolarHBondContact O-N 3.48Å; M155-R158 VanDerWaalsContact CE-CD 3.5Å; M155-R158 PolarHBondContact O-N 3.03Å; M155-V159 WeakPolarHBondContact O-CG2 3.38Å; M155-V159 PolarHBondContact O-N 3.47Å
156G98.7Very high97.8Very high0 Ų058.4 Ų58.40%031%0.313CS..Hα-helixtrans-57.8-49.6177.800000111.2D107 P109 L125 R158 V159 K160D107-G156 WeakPolarHBondContact OD2-CA 3.33Å; D107-G156 PolarHBondContact OD2-N 2.75Å; D107-G156 VanDerWaalsContact OD2-N 3.09Å; P109-G156 WeakPolarHBondContact CG-O 3.41Å; L125-G156 WeakPolarHBondContact O-CA 3.27Å; G156-R158 VanDerWaalsContact C-N 3.33Å; G156-R158 PolarHBondContact O-N 3.28Å; G156-V159 PolarHBondContact O-N 3.37Å; G156-K160 WeakPolarHBondContact O-CB 3.38Å; G156-K160 PolarHBondContact O-N 3.05Å
157I98.3Very high97.7Very high3 Ų357.4 Ų57.42%0.01532%0.315CS..Hα-helixtrans-67.6-31.4179-166.159.2000113.3T85 I86 P88 T91 D107 P109 G154 M155 K160 L161T85-I157 HydrophobicContact CG2-CD1 4.13Å; I86-I157 WeakPolarHBondContact O-CD1 3.45Å; I86-I157 WeakPolarHBondContact O-CG1 3.32Å; P88-I157 HydrophobicContact CB-CG2 4.18Å; P88-I157 HydrophobicContact CG-CG2 4.33Å; T91-I157 HydrophobicContact CG2-CG2 4.1Å; D107-I157 PolarHBondContact OD2-N 2.97Å; P109-I157 HydrophobicContact CB-CD1 4.15Å; P109-I157 HydrophobicContact CG-CB 4.22Å; P109-I157 HydrophobicContact CG-CD1 4.2Å; G154-I157 WeakPolarHBondContact O-CG2 3.42Å; M155-I157 PolarHBondContact O-N 3.48Å; I157-K160 HydrophobicContact CD1-CB 4.42Å; I157-K160 HydrophobicContact CD1-CG 4.48Å; I157-K160 PolarHBondContact O-N 3.42Å; I157-L161 VanDerWaalsContact O-CB 3.32Å; I157-L161 WeakPolarHBondContact O-CB 3.42Å; I157-L161 PolarHBondContact O-N 2.92Å
158R98.4Very high97.6Very high74 Ų7461.1 Ų61.128%0.27933%0.334SS..Hα-helixtrans-68.7-45174.4-71.8169.6170.380.7-3.3111.3P88 D92 G154 M155 G156 K160 L161 I162P88-R158 HydrophobicContact CB-CG 4.03Å; P88-R158 HydrophobicContact CG-CG 4.21Å; D92-R158 IonicContact OD1-CZ 2.78Å; D92-R158 IonicContact OD1-NH1 2.74Å; D92-R158 PolarHBondContact OD1-NH1 2.98Å; D92-R158 IonicContact OD1-NH2 3.47Å; D92-R158 PolarHBondContact OD1-NH2 2.96Å; D92-R158 IonicContact OD2-CZ 3.64Å; D92-R158 IonicContact OD2-NH1 3.86Å; D92-R158 IonicContact OD2-NH2 2.79Å; D92-R158 PolarHBondContact OD2-NH2 2.85Å; G154-R158 WeakPolarHBondContact O-CD 3.19Å; G154-R158 WeakPolarHBondContact O-CG 3.31Å; G154-R158 PolarHBondContact O-NH1 2.74Å; M155-R158 VanDerWaalsContact CE-CD 3.5Å; M155-R158 PolarHBondContact O-N 3.03Å; G156-R158 VanDerWaalsContact C-N 3.33Å; G156-R158 PolarHBondContact O-N 3.28Å; R158-K160 VanDerWaalsContact C-N 3.35Å; R158-L161 WeakPolarHBondContact O-CB 3.04Å; R158-L161 PolarHBondContact O-N 3.08Å; R158-I162 WeakPolarHBondContact O-CG1 3.28Å; R158-I162 PolarHBondContact O-N 3.42Å
159V98Very high97.6Very high65 Ų6559.7 Ų59.739%0.39433%0.332SS..Hα-helixtrans-61.1-46.1173.9173.60000110.4L125 A150 M155 G156 L161 I162 N163L125-V159 HydrophobicContact CD1-CG1 4.25Å; L125-V159 HydrophobicContact CD2-CG1 4.44Å; A150-V159 HydrophobicContact CB-CG2 4.04Å; M155-V159 WeakPolarHBondContact O-CG2 3.38Å; M155-V159 PolarHBondContact O-N 3.47Å; G156-V159 PolarHBondContact O-N 3.37Å; V159-L161 VanDerWaalsContact C-N 3.29Å; V159-L161 PolarHBondContact O-N 2.88Å; V159-I162 PolarHBondContact O-N 3.37Å; V159-N163 PolarHBondContact O-N 3.34Å
160K97.9Very high97.5Very high15 Ų1559.1 Ų59.17%0.06533%0.329CS..Hα-helixtrans-56.6-42.6176.2179.863.7177.2174.50112.2T85 P109 V110 L125 G156 I157 R158 N163 N164T85-K160 HydrophobicContact CG2-CG 4.46Å; P109-K160 HydrophobicContact CB-CB 4.02Å; P109-K160 HydrophobicContact CB-CG 3.97Å; P109-K160 HydrophobicContact CG-CB 3.91Å; P109-K160 HydrophobicContact CG-CG 4.41Å; V110-K160 WeakPolarHBondContact O-CE 3.4Å; V110-K160 PolarHBondContact O-NZ 3.26Å; L125-K160 HydrophobicContact CD1-CB 3.82Å; L125-K160 HydrophobicContact CD1-CD 4.13Å; G156-K160 WeakPolarHBondContact O-CB 3.38Å; G156-K160 PolarHBondContact O-N 3.05Å; I157-K160 HydrophobicContact CD1-CB 4.42Å; I157-K160 HydrophobicContact CD1-CG 4.48Å; I157-K160 PolarHBondContact O-N 3.42Å; R158-K160 VanDerWaalsContact C-N 3.35Å; K160-N163 PolarHBondContact O-N 3.35Å; K160-N164 WeakPolarHBondContact CE-ND2 3.42Å; K160-N164 WeakPolarHBondContact CE-OD1 3.44Å; K160-N164 PolarHBondContact NZ-OD1 2.98Å; K160-N164 VanDerWaalsContact NZ-OD1 3.1Å; K160-N164 WeakPolarHBondContact O-CB 3.45Å; K160-N164 PolarHBondContact O-N 2.82Å
161L97.5Very high97.6Very high96 Ų9663.8 Ų63.850%0.50335%0.351SS..Hα-helixtrans-60.3-48.2179.9-177.568.8000111.4P88 I157 R158 V159 N164 Y165P88-L161 HydrophobicContact CG-CD2 4.2Å; I157-L161 VanDerWaalsContact O-CB 3.32Å; I157-L161 WeakPolarHBondContact O-CB 3.42Å; I157-L161 PolarHBondContact O-N 2.92Å; R158-L161 WeakPolarHBondContact O-CB 3.04Å; R158-L161 PolarHBondContact O-N 3.08Å; V159-L161 VanDerWaalsContact C-N 3.29Å; V159-L161 PolarHBondContact O-N 2.88Å; L161-N164 PolarHBondContact O-N 3.38Å; L161-Y165 WeakPolarHBondContact O-CB 3.43Å; L161-Y165 PolarHBondContact O-N 3.4Å
162I97.4Very high97.7Very high106 Ų10662.9 Ų62.954%0.54434%0.337SS..Hα-helixtrans-62.9-44.8178.5-57.7-52.4000110.8R158 V159 N164 Y165 M166R158-I162 WeakPolarHBondContact O-CG1 3.28Å; R158-I162 PolarHBondContact O-N 3.42Å; V159-I162 PolarHBondContact O-N 3.37Å; I162-N164 PolarHBondContact O-N 3.44Å; I162-Y165 PolarHBondContact O-N 2.83Å; I162-M166 PolarHBondContact O-N 3.29Å; I162-M166 VanDerWaalsContact O-N 3.08Å
163N96.4Very high97.6Very high77 Ų7765.7 Ų65.741%0.41235%0.349SS..Hα-helixtrans-58.6-48176.8176.284000112.1V159 K160 S167V159-N163 PolarHBondContact O-N 3.34Å; K160-N163 PolarHBondContact O-N 3.35Å; N163-S167 WeakPolarHBondContact O-CB 3.34Å; N163-S167 PolarHBondContact O-N 3.28Å; N163-S167 PolarHBondContact O-OG 3.18Å
164N96.9Very high97.6Very high43 Ų4365.8 Ų65.823%0.2335%0.351CS..Hα-helixtrans-66.6-43.4-179.7-8213000111.7K160 L161 I162 M166 S167 I168K160-N164 WeakPolarHBondContact CE-ND2 3.42Å; K160-N164 WeakPolarHBondContact CE-OD1 3.44Å; K160-N164 PolarHBondContact NZ-OD1 2.98Å; K160-N164 VanDerWaalsContact NZ-OD1 3.1Å; K160-N164 WeakPolarHBondContact O-CB 3.45Å; K160-N164 PolarHBondContact O-N 2.82Å; L161-N164 PolarHBondContact O-N 3.38Å; I162-N164 PolarHBondContact O-N 3.44Å; N164-M166 VanDerWaalsContact C-N 3.33Å; N164-M166 PolarHBondContact O-N 2.97Å; N164-S167 PolarHBondContact O-N 3.41Å; N164-I168 HydrophobicContact CB-CD1 4.33Å; N164-I168 WeakPolarHBondContact O-CB 3.43Å; N164-I168 WeakPolarHBondContact O-CD1 3.42Å; N164-I168 WeakPolarHBondContact O-CG1 3.34Å; N164-I168 PolarHBondContact O-N 3.13Å
165Y97.4Very high97.6Very high171 Ų17168.3 Ų68.367%0.67137%0.372SS*.Hα-helixtrans-53.9-51.9176.4169.1-99.8000111L161 I162 A169L161-Y165 WeakPolarHBondContact O-CB 3.43Å; L161-Y165 PolarHBondContact O-N 3.4Å; I162-Y165 PolarHBondContact O-N 2.83Å; Y165-A169 WeakPolarHBondContact O-CB 3.36Å; Y165-A169 PolarHBondContact O-N 3.4Å
166M96.9Very high97.5Very high79 Ų7966.1 Ų66.139%0.38936%0.361SS..Hα-helixtrans-64.3-44.5-179.9-173.3173.9174.800111.6I162 N164 I168 L170 F205I162-M166 PolarHBondContact O-N 3.29Å; I162-M166 VanDerWaalsContact O-N 3.08Å; N164-M166 VanDerWaalsContact C-N 3.33Å; N164-M166 PolarHBondContact O-N 2.97Å; M166-I168 PolarHBondContact O-N 3.14Å; M166-L170 WeakPolarHBondContact O-CB 3.28Å; M166-L170 PolarHBondContact O-N 3.08Å; M166-F205 HydrophobicContact SD-CE2 4.19Å; M166-F205 HydrophobicContact SD-CZ 4.38Å
167S95.6Very high97.5Very high60 Ų6067.6 Ų67.642%0.4237%0.372SS..Hα-helixtrans-62.7-43.5-179.2-58.30000112.4N163 N164 N171N163-S167 WeakPolarHBondContact O-CB 3.34Å; N163-S167 PolarHBondContact O-N 3.28Å; N163-S167 PolarHBondContact O-OG 3.18Å; N164-S167 PolarHBondContact O-N 3.41Å; S167-N171 PolarHBondContact O-N 3.39Å
168I97.4Very high97.4Very high119 Ų11968.4 Ų68.461%0.6138%0.38SS*.Hα-helixtrans-72.3-44.1-177.3-65.6164.8000110.6N164 M166 L170 N171 A172N164-I168 HydrophobicContact CB-CD1 4.33Å; N164-I168 WeakPolarHBondContact O-CB 3.43Å; N164-I168 WeakPolarHBondContact O-CD1 3.42Å; N164-I168 WeakPolarHBondContact O-CG1 3.34Å; N164-I168 PolarHBondContact O-N 3.13Å; M166-I168 PolarHBondContact O-N 3.14Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 PolarHBondContact O-N 3.2Å; I168-N171 WeakPolarHBondContact O-CB 3.36Å; I168-N171 PolarHBondContact O-N 2.86Å; I168-A172 PolarHBondContact O-N 3.47Å
169A97.8Very high97.4Very high39 Ų3968.2 Ų68.232%0.32239%0.387SS..Hα-helixtrans-63.1-40.7175.800000111.5Y165 N171 A172 L173 L247Y165-A169 WeakPolarHBondContact O-CB 3.36Å; Y165-A169 PolarHBondContact O-N 3.4Å; A169-N171 VanDerWaalsContact C-N 3.29Å; A169-N171 PolarHBondContact O-N 3.39Å; A169-A172 PolarHBondContact O-N 3.19Å; A169-L173 PolarHBondContact O-N 3.32Å; A169-L173 VanDerWaalsContact O-N 3.1Å; A169-L247 WeakPolarHBondContact O-CD2 3.24Å
170L96.9Very high97.4Very high73 Ų7366.1 Ų66.138%0.38237%0.373SS..Hα-helixtrans-64-33.7176.3-177.761.8000112.3M166 I168 A172 L173 S174M166-L170 WeakPolarHBondContact O-CB 3.28Å; M166-L170 PolarHBondContact O-N 3.08Å; I168-L170 VanDerWaalsContact C-N 3.32Å; I168-L170 PolarHBondContact O-N 3.2Å; L170-A172 VanDerWaalsContact C-N 3.35Å; L170-A172 PolarHBondContact O-N 3.35Å; L170-L173 HydrophobicContact CD1-CD2 4.23Å; L170-L173 PolarHBondContact O-N 3.33Å; L170-S174 WeakPolarHBondContact O-CB 3.3Å; L170-S174 PolarHBondContact O-N 3.42Å; L170-S174 PolarHBondContact O-OG 2.75Å
171N97.8Very high97.4Very high120 Ų12066 Ų6664%0.64237%0.374SS*.Hα-helixtrans-62.2-42.8176-17152.3000111.7S167 I168 A169 S174 A175S167-N171 PolarHBondContact O-N 3.39Å; I168-N171 WeakPolarHBondContact O-CB 3.36Å; I168-N171 PolarHBondContact O-N 2.86Å; A169-N171 VanDerWaalsContact C-N 3.29Å; A169-N171 PolarHBondContact O-N 3.39Å; N171-S174 PolarHBondContact O-N 3.25Å; N171-A175 PolarHBondContact O-N 2.68Å
172A98.2Very high97.4Very high45 Ų4567.7 Ų67.737%0.37238%0.38SS..Hα-helixtrans-64.5-42.3174.500000112I168 A169 L170 S174 A175 E176 L247I168-A172 PolarHBondContact O-N 3.47Å; A169-A172 PolarHBondContact O-N 3.19Å; L170-A172 VanDerWaalsContact C-N 3.35Å; L170-A172 PolarHBondContact O-N 3.35Å; A172-S174 VanDerWaalsContact C-N 3.29Å; A172-S174 PolarHBondContact O-N 3.31Å; A172-A175 WeakPolarHBondContact O-CB 3.39Å; A172-A175 PolarHBondContact O-N 3.1Å; A172-E176 PolarHBondContact O-N 2.92Å; A172-L247 HydrophobicContact CB-CD1 4.24Å; A172-L247 HydrophobicContact CB-CD2 3.94Å
173L97.7Very high97.4Very high74 Ų7464.2 Ų64.239%0.38737%0.367SS..Hα-helixtrans-63.4-37.5176179.962.2000111.9A169 L170 A175 E176 A177 L247A169-L173 PolarHBondContact O-N 3.32Å; A169-L173 VanDerWaalsContact O-N 3.1Å; L170-L173 HydrophobicContact CD1-CD2 4.23Å; L170-L173 PolarHBondContact O-N 3.33Å; L173-A175 VanDerWaalsContact C-N 3.31Å; L173-A175 PolarHBondContact O-N 2.88Å; L173-E176 WeakPolarHBondContact O-CB 3.43Å; L173-E176 PolarHBondContact O-N 3.36Å; L173-A177 PolarHBondContact O-N 3.1Å; L173-L247 HydrophobicContact CB-CD2 3.84Å; L173-L247 HydrophobicContact CD1-CB 4.1Å
174S97.1Very high97.4Very high60 Ų6064.2 Ų64.242%0.4237%0.366SS..Hα-helixtrans-66-36.6177.2-57.90000111.1L170 N171 A172 A177 A178L170-S174 WeakPolarHBondContact O-CB 3.3Å; L170-S174 PolarHBondContact O-N 3.42Å; L170-S174 PolarHBondContact O-OG 2.75Å; N171-S174 PolarHBondContact O-N 3.25Å; A172-S174 VanDerWaalsContact C-N 3.29Å; A172-S174 PolarHBondContact O-N 3.31Å; S174-A177 PolarHBondContact O-N 3.18Å; S174-A178 WeakPolarHBondContact O-CB 3.35Å; S174-A178 PolarHBondContact O-N 2.99Å
175A98Very high97.4Very high53 Ų5369.1 Ų69.144%0.43839%0.392SS..Hα-helixtrans-65.7-43.9173.700000111.9N171 A172 L173 A177 A178 V179N171-A175 PolarHBondContact O-N 2.68Å; A172-A175 WeakPolarHBondContact O-CB 3.39Å; A172-A175 PolarHBondContact O-N 3.1Å; L173-A175 VanDerWaalsContact C-N 3.31Å; L173-A175 PolarHBondContact O-N 2.88Å; A175-A177 VanDerWaalsContact C-N 3.33Å; A175-A177 PolarHBondContact O-N 3.49Å; A175-A178 PolarHBondContact O-N 2.91Å; A175-V179 WeakPolarHBondContact O-CG2 3.41Å; A175-V179 PolarHBondContact O-N 2.94Å
176E98Very high97.4Very high17 Ų1765 Ų658%0.07938%0.381CS..Hα-helixtrans-55.4-48.7172.6-75.3-173.4-170.500111.5A172 L173 A178 V179 L180 M245 P246 L247 G248A172-E176 PolarHBondContact O-N 2.92Å; L173-E176 WeakPolarHBondContact O-CB 3.43Å; L173-E176 PolarHBondContact O-N 3.36Å; E176-A178 PolarHBondContact O-N 3.33Å; E176-V179 PolarHBondContact O-N 2.88Å; E176-L180 WeakPolarHBondContact O-CB 3.34Å; E176-L180 PolarHBondContact O-N 3.44Å; E176-M245 HydrophobicContact CB-CE 3.73Å; E176-M245 HydrophobicContact CB-SD 3.82Å; E176-M245 HydrophobicContact CG-SD 4.32Å; E176-M245 WeakPolarHBondContact OE2-CA 3.43Å; E176-P246 WeakPolarHBondContact OE1-CD 3.33Å; E176-P246 WeakPolarHBondContact OE1-CG 3.4Å; E176-P246 VanDerWaalsContact OE1-N 3.15Å; E176-L247 WeakPolarHBondContact OE1-CB 3.37Å; E176-L247 WeakPolarHBondContact OE1-CD1 3.24Å; E176-L247 PolarHBondContact OE1-N 3.41Å; E176-L247 PolarHBondContact OE2-N 2.8Å; E176-G248 PolarHBondContact OE2-N 3.39Å
177A97.1Very high97.3Very high30 Ų3065 Ų6525%0.24839%0.387CS..Hα-helixtrans-63.8-39.2179.300000112.8L173 S174 A175 L180 C181L173-A177 PolarHBondContact O-N 3.1Å; S174-A177 PolarHBondContact O-N 3.18Å; A175-A177 VanDerWaalsContact C-N 3.33Å; A175-A177 PolarHBondContact O-N 3.49Å; A177-L180 PolarHBondContact O-N 2.77Å; A177-C181 PolarHBondContact O-N 3.39Å; A177-C181 PolarHBondContact O-SG 3.4Å
178A97.4Very high97.3Very high20 Ų2066.7 Ų66.717%0.16539%0.387CS..Hα-helixtrans-66.1-46.6178.700000112.1S174 A175 E176 L180 C181 E182 F188S174-A178 WeakPolarHBondContact O-CB 3.35Å; S174-A178 PolarHBondContact O-N 2.99Å; A175-A178 PolarHBondContact O-N 2.91Å; E176-A178 PolarHBondContact O-N 3.33Å; A178-L180 VanDerWaalsContact C-N 3.3Å; A178-L180 PolarHBondContact O-N 3.43Å; A178-C181 WeakPolarHBondContact O-CB 3.36Å; A178-C181 PolarHBondContact O-N 3.26Å; A178-C181 VanDerWaalsContact O-N 3.09Å; A178-E182 PolarHBondContact O-N 2.73Å; A178-F188 HydrophobicContact CB-CE2 3.71Å; A178-F188 HydrophobicContact CB-CZ 4Å
179V98Very high97.2Very high70 Ų7066.6 Ų66.642%0.42439%0.388SS..Hα-helixtrans-63.8-37.5177.2175.20000111.1A175 E176 C181 E182 A183 V243A175-V179 WeakPolarHBondContact O-CG2 3.41Å; A175-V179 PolarHBondContact O-N 2.94Å; E176-V179 PolarHBondContact O-N 2.88Å; V179-C181 VanDerWaalsContact C-N 3.32Å; V179-C181 PolarHBondContact O-N 2.66Å; V179-E182 PolarHBondContact O-N 3.23Å; V179-A183 WeakPolarHBondContact O-CB 3.39Å; V179-A183 PolarHBondContact O-N 3.29Å; V179-V243 HydrophobicContact CG1-CG1 3.92Å
180L98Very high97.2Very high22 Ų2268.6 Ų68.612%0.11540%0.396CS..Hα-helixtrans-64.5-36.7173.9-175.859000112.1E176 A177 A178 A183 L184 A238 L241 V243 M245E176-L180 WeakPolarHBondContact O-CB 3.34Å; E176-L180 PolarHBondContact O-N 3.44Å; A177-L180 PolarHBondContact O-N 2.77Å; A178-L180 VanDerWaalsContact C-N 3.3Å; A178-L180 PolarHBondContact O-N 3.43Å; L180-A183 PolarHBondContact O-N 3.21Å; L180-L184 HydrophobicContact CD1-CD1 4.13Å; L180-L184 HydrophobicContact CD1-CG 4.36Å; L180-L184 HydrophobicContact CG-CD1 4.01Å; L180-L184 WeakPolarHBondContact O-CB 3.11Å; L180-L184 WeakPolarHBondContact O-CG 3.41Å; L180-L184 PolarHBondContact O-N 3.28Å; L180-A238 HydrophobicContact CD1-CB 3.92Å; L180-L241 HydrophobicContact CD1-CD1 4.27Å; L180-V243 HydrophobicContact CB-CG1 4.49Å; L180-M245 HydrophobicContact CB-SD 4.39Å; L180-M245 HydrophobicContact CD2-CE 4.1Å; L180-M245 HydrophobicContact CD2-SD 4.5Å
181C97.6Very high97.1Very high13 Ų1365.9 Ų65.99%0.08838%0.384CS..Hα-helixtrans-62.2-44.9173.6-68.10000111.7A177 A178 V179 L184 N185 L186 F188A177-C181 PolarHBondContact O-N 3.39Å; A177-C181 PolarHBondContact O-SG 3.4Å; A178-C181 WeakPolarHBondContact O-CB 3.36Å; A178-C181 PolarHBondContact O-N 3.26Å; A178-C181 VanDerWaalsContact O-N 3.09Å; V179-C181 VanDerWaalsContact C-N 3.32Å; V179-C181 PolarHBondContact O-N 2.66Å; C181-L184 PolarHBondContact O-N 2.98Å; C181-N185 PolarHBondContact O-N 3.08Å; C181-L186 HydrophobicContact CB-CB 4.27Å; C181-L186 HydrophobicContact CB-CD1 4.42Å; C181-L186 PolarHBondContact O-N 2.92Å; C181-F188 HydrophobicContact CB-CD2 4.12Å
182E97Very high97Very high131 Ų13162.9 Ų62.961%0.61237%0.37SS*.Hα-helixtrans-61.9-46.8176.6-69.6179-164.900111.7A178 V179 L184 N185A178-E182 PolarHBondContact O-N 2.73Å; V179-E182 PolarHBondContact O-N 3.23Å; E182-L184 PolarHBondContact O-N 3.09Å; E182-N185 WeakPolarHBondContact O-CA 3.19Å; E182-N185 PolarHBondContact O-N 2.92Å
183A97.9Very high97Very high33 Ų3368.6 Ų68.627%0.27339%0.386SS..Hα-helixtrans-62.3-31.2178.600000112.9V179 L180 N185 L241 V243V179-A183 WeakPolarHBondContact O-CB 3.39Å; V179-A183 PolarHBondContact O-N 3.29Å; L180-A183 PolarHBondContact O-N 3.21Å; A183-N185 VanDerWaalsContact C-N 3.26Å; A183-L241 HydrophobicContact CB-CB 4.31Å; A183-L241 HydrophobicContact CB-CD1 4.07Å; A183-V243 HydrophobicContact CB-CG2 3.52Å
184L97.8Very high96.9Very high76 Ų7669.4 Ų69.440%0.39839%0.394SS..THydrogen-bonded Turntrans-82-0.2173.6-74.3168000113.7L180 C181 E182 L186 V237 L241L180-L184 HydrophobicContact CD1-CD1 4.13Å; L180-L184 HydrophobicContact CD1-CG 4.36Å; L180-L184 HydrophobicContact CG-CD1 4.01Å; L180-L184 WeakPolarHBondContact O-CB 3.11Å; L180-L184 WeakPolarHBondContact O-CG 3.41Å; L180-L184 PolarHBondContact O-N 3.28Å; C181-L184 PolarHBondContact O-N 2.98Å; E182-L184 PolarHBondContact O-N 3.09Å; L184-L186 HydrophobicContact CB-CD1 4.19Å; L184-L186 HydrophobicContact CB-CG 3.83Å; L184-L186 HydrophobicContact CD1-CD1 4.24Å; L184-L186 PolarHBondContact O-N 3.43Å; L184-V237 HydrophobicContact CD1-CG1 4.49Å; L184-V237 HydrophobicContact CD2-CG1 3.85Å; L184-L241 HydrophobicContact CD2-CD1 3.63Å; L184-L241 HydrophobicContact CG-CD1 3.8Å
185N97Very high96.9Very high146 Ų14669.3 Ų69.378%0.78139%0.388SS*.THydrogen-bonded Turntrans54.735-173.8-56.3-79.3000112.8C181 E182 A183C181-N185 PolarHBondContact O-N 3.08Å; E182-N185 WeakPolarHBondContact O-CA 3.19Å; E182-N185 PolarHBondContact O-N 2.92Å; A183-N185 VanDerWaalsContact C-N 3.26Å
186L96.3Very high96.7Very high85 Ų8570.3 Ų70.345%0.44539%0.391SS..  trans-77.3138.8176-65.7178000110.3C181 L184 F188C181-L186 HydrophobicContact CB-CB 4.27Å; C181-L186 HydrophobicContact CB-CD1 4.42Å; C181-L186 PolarHBondContact O-N 2.92Å; L184-L186 HydrophobicContact CB-CD1 4.19Å; L184-L186 HydrophobicContact CB-CG 3.83Å; L184-L186 HydrophobicContact CD1-CD1 4.24Å; L184-L186 PolarHBondContact O-N 3.43Å; L186-F188 PolarHBondContact O-N 3.47Å
187P95.7Very high96.6Very high78 Ų7871.6 Ų71.651%0.50641%0.41SS..  trans-59.4110.5164.8-20.332.3000109.5D189 V190 A191P187-D189 VanDerWaalsContact C-N 3.27Å; P187-D189 WeakPolarHBondContact CB-OD1 3.32Å; P187-D189 PolarHBondContact O-N 3.35Å; P187-V190 HydrophobicContact CB-CB 4.17Å; P187-V190 HydrophobicContact CB-CG2 3.85Å; P187-V190 HydrophobicContact CG-CG2 4.5Å; P187-V190 WeakPolarHBondContact O-CB 3.27Å; P187-V190 PolarHBondContact O-N 3.17Å; P187-V190 VanDerWaalsContact O-N 3.12Å; P187-A191 PolarHBondContact O-N 2.72Å; P187-A191 VanDerWaalsContact O-N 3.13Å
188F94.5Very high96.5Very high97 Ų9773.2 Ų73.243%0.42542%0.417SS..Hα-helixtrans-63.9-34-170.9-175-116000112.5A178 C181 L186 V190 A191 V192A178-F188 HydrophobicContact CB-CE2 3.71Å; A178-F188 HydrophobicContact CB-CZ 4Å; C181-F188 HydrophobicContact CB-CD2 4.12Å; L186-F188 PolarHBondContact O-N 3.47Å; F188-V190 VanDerWaalsContact C-N 3.33Å; F188-V190 PolarHBondContact O-N 3.46Å; F188-A191 PolarHBondContact O-N 3.01Å; F188-V192 HydrophobicContact CD1-CG2 3.97Å; F188-V192 HydrophobicContact CD2-CG2 4.32Å; F188-V192 HydrophobicContact CE1-CG2 3.59Å; F188-V192 HydrophobicContact CE2-CG2 3.95Å; F188-V192 HydrophobicContact CG-CG2 4.32Å; F188-V192 HydrophobicContact CZ-CG2 3.58Å; F188-V192 WeakPolarHBondContact O-CB 3.42Å; F188-V192 VanDerWaalsContact O-CG2 3.29Å; F188-V192 WeakPolarHBondContact O-CG2 3.08Å; F188-V192 PolarHBondContact O-N 2.96Å
189D96.6Very high96.3Very high117 Ų11773.3 Ų73.363%0.62642%0.417SS*.Hα-helixtrans-60.9-39.5174.665.3-38.2000112.6P187 K193P187-D189 VanDerWaalsContact C-N 3.27Å; P187-D189 WeakPolarHBondContact CB-OD1 3.32Å; P187-D189 PolarHBondContact O-N 3.35Å; D189-K193 WeakPolarHBondContact O-CB 3.48Å; D189-K193 PolarHBondContact O-N 3.28Å
190V96.6Very high96.2Very high81 Ų8173.2 Ų73.249%0.49142%0.423SS..Hα-helixtrans-66.2-45.6174.21780000110.3P187 F188 K193 V194P187-V190 HydrophobicContact CB-CB 4.17Å; P187-V190 HydrophobicContact CB-CG2 3.85Å; P187-V190 HydrophobicContact CG-CG2 4.5Å; P187-V190 WeakPolarHBondContact O-CB 3.27Å; P187-V190 PolarHBondContact O-N 3.17Å; P187-V190 VanDerWaalsContact O-N 3.12Å; F188-V190 VanDerWaalsContact C-N 3.33Å; F188-V190 PolarHBondContact O-N 3.46Å; V190-K193 PolarHBondContact O-N 3.42Å; V190-V194 WeakPolarHBondContact O-CG2 3.29Å; V190-V194 PolarHBondContact O-N 3.44Å; V190-V194 VanDerWaalsContact O-N 3.1Å
191A95.5Very high96.1Very high16 Ų1674.5 Ų74.513%0.13244%0.442CS..Hα-helixtrans-61-46.5177.900000111.6P187 F188 K193 V194 M195P187-A191 PolarHBondContact O-N 2.72Å; P187-A191 VanDerWaalsContact O-N 3.13Å; F188-A191 PolarHBondContact O-N 3.01Å; A191-K193 PolarHBondContact O-N 3.4Å; A191-V194 PolarHBondContact O-N 3.33Å; A191-M195 HydrophobicContact CB-CE 4.1Å; A191-M195 WeakPolarHBondContact O-CE 3.17Å; A191-M195 WeakPolarHBondContact O-CG 3.48Å; A191-M195 PolarHBondContact O-N 2.98Å
192V95.9Very high95.9Very high56 Ų5679.6 Ų79.634%0.33946%0.463SS..Hα-helixtrans-59.9-46.3176.11700000110.9F188 V194 M195 S196F188-V192 HydrophobicContact CD1-CG2 3.97Å; F188-V192 HydrophobicContact CD2-CG2 4.32Å; F188-V192 HydrophobicContact CE1-CG2 3.59Å; F188-V192 HydrophobicContact CE2-CG2 3.95Å; F188-V192 HydrophobicContact CG-CG2 4.32Å; F188-V192 HydrophobicContact CZ-CG2 3.58Å; F188-V192 WeakPolarHBondContact O-CB 3.42Å; F188-V192 VanDerWaalsContact O-CG2 3.29Å; F188-V192 WeakPolarHBondContact O-CG2 3.08Å; F188-V192 PolarHBondContact O-N 2.96Å; V192-V194 VanDerWaalsContact C-N 3.29Å; V192-V194 PolarHBondContact O-N 3.26Å; V192-M195 PolarHBondContact O-N 3.18Å; V192-S196 WeakPolarHBondContact O-CB 3.21Å; V192-S196 PolarHBondContact O-N 3.43Å; V192-S196 PolarHBondContact O-OG 2.97Å
193K97Very high95.8Very high166 Ų16674.2 Ų74.272%0.72244%0.442SS*.Hα-helixtrans-57-41.6178.1-177.3177.7-179.5179.10112.3D189 V190 A191D189-K193 WeakPolarHBondContact O-CB 3.48Å; D189-K193 PolarHBondContact O-N 3.28Å; V190-K193 PolarHBondContact O-N 3.42Å; A191-K193 PolarHBondContact O-N 3.4Å
194V96.4Very high95.8Very high91 Ų9175.5 Ų75.555%0.55244%0.443SS*.Hα-helixtrans-66.9-49.9175.8173.70000110.7V190 A191 V192 S196 G197 T198V190-V194 WeakPolarHBondContact O-CG2 3.29Å; V190-V194 PolarHBondContact O-N 3.44Å; V190-V194 VanDerWaalsContact O-N 3.1Å; A191-V194 PolarHBondContact O-N 3.33Å; V192-V194 VanDerWaalsContact C-N 3.29Å; V192-V194 PolarHBondContact O-N 3.26Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.21Å; V194-G197 PolarHBondContact O-N 3.44Å; V194-T198 WeakPolarHBondContact O-CG2 3.27Å; V194-T198 PolarHBondContact O-N 3.09Å
195M96Very high95.7Very high58 Ų5877.3 Ų77.329%0.28645%0.448SS..Hα-helixtrans-62.9-38.2-177.6-71.6-174.4-76.600112.6A191 V192 G197 T198 A200 G201A191-M195 HydrophobicContact CB-CE 4.1Å; A191-M195 WeakPolarHBondContact O-CE 3.17Å; A191-M195 WeakPolarHBondContact O-CG 3.48Å; A191-M195 PolarHBondContact O-N 2.98Å; V192-M195 PolarHBondContact O-N 3.18Å; M195-G197 PolarHBondContact O-N 3.23Å; M195-T198 PolarHBondContact O-N 3.49Å; M195-T198 PolarHBondContact O-OG1 3.04Å; M195-A200 HydrophobicContact CB-CB 4.49Å; M195-A200 HydrophobicContact CG-CB 4.36Å; M195-G201 VanDerWaalsContact O-CA 3.26Å; M195-G201 WeakPolarHBondContact O-CA 3.41Å; M195-G201 PolarHBondContact O-N 3.32Å
196S94.9Very high95.6Very high73 Ų7375.4 Ų75.451%0.5144%0.441SS..Hα-helixtrans-60.5-24.9174.9-62.10000113.4V192 V194 K202V192-S196 WeakPolarHBondContact O-CB 3.21Å; V192-S196 PolarHBondContact O-N 3.43Å; V192-S196 PolarHBondContact O-OG 2.97Å; V194-S196 VanDerWaalsContact C-N 3.34Å; V194-S196 PolarHBondContact O-N 3.21Å; S196-K202 VanDerWaalsContact O-CE 3.3Å; S196-K202 WeakPolarHBondContact O-CE 3.46Å
197G94.9Very high95.5Very high45 Ų4573.4 Ų73.446%0.46443%0.433SS..Hα-helixtrans-84.5-21.9179.200000114.6V194 M195 K202V194-G197 PolarHBondContact O-N 3.44Å; M195-G197 PolarHBondContact O-N 3.23Å; G197-K202 WeakPolarHBondContact O-CE 3.38Å; G197-K202 PolarHBondContact O-NZ 3.15Å
198T95.4Very high95.4Very high64 Ų6470.7 Ų70.739%0.39342%0.416SS..SBendtrans-111.2177-167.7650000112.7V194 M195 A200 G201 K202V194-T198 WeakPolarHBondContact O-CG2 3.27Å; V194-T198 PolarHBondContact O-N 3.09Å; M195-T198 PolarHBondContact O-N 3.49Å; M195-T198 PolarHBondContact O-OG1 3.04Å; T198-A200 PolarHBondContact O-N 3.36Å; T198-A200 PolarHBondContact OG1-N 3.18Å; T198-G201 PolarHBondContact O-N 3.2Å; T198-K202 WeakPolarHBondContact O-CB 3.34Å; T198-K202 WeakPolarHBondContact O-CG 3.33Å; T198-K202 PolarHBondContact O-N 3.27Å
199A94.4Very high95.5Very high21 Ų2168 Ų6817%0.17440%0.403CS..Hα-helixtrans-59.2-22.8174.800000113.1G203 T207A199-G203 WeakPolarHBondContact O-CA 3.15Å; A199-G203 PolarHBondContact O-N 3.38Å; A199-T207 WeakPolarHBondContact CB-OG1 3.42Å
200A95.5Very high95.5Very high68 Ų6865 Ų6556%0.56239%0.39SS*.Hα-helixtrans-60.9-45.3177.400000112.2M195 T198M195-A200 HydrophobicContact CB-CB 4.49Å; M195-A200 HydrophobicContact CG-CB 4.36Å; T198-A200 PolarHBondContact O-N 3.36Å; T198-A200 PolarHBondContact OG1-N 3.18Å
201G94.5Very high95.4Very high49 Ų4967.3 Ų67.351%0.50540%0.399SS..Hα-helixtrans-91.2-30.9176.600000114.2M195 T198M195-G201 VanDerWaalsContact O-CA 3.26Å; M195-G201 WeakPolarHBondContact O-CA 3.41Å; M195-G201 PolarHBondContact O-N 3.32Å; T198-G201 PolarHBondContact O-N 3.2Å
202K95Very high95.5Very high120 Ų12068.2 Ų68.252%0.52240%0.4SS..Hα-helixtrans-84.8-21.4-176.5-67.8175.7175.51670114.1S196 G197 T198 T206 T207S196-K202 VanDerWaalsContact O-CE 3.3Å; S196-K202 WeakPolarHBondContact O-CE 3.46Å; G197-K202 WeakPolarHBondContact O-CE 3.38Å; G197-K202 PolarHBondContact O-NZ 3.15Å; T198-K202 WeakPolarHBondContact O-CB 3.34Å; T198-K202 WeakPolarHBondContact O-CG 3.33Å; T198-K202 PolarHBondContact O-N 3.27Å; K202-T206 PolarHBondContact O-OG1 2.92Å; K202-T207 HydrophobicContact CB-CG2 3.63Å; K202-T207 HydrophobicContact CD-CG2 4.09Å
203G95.3Very high95.6Very high18 Ų1865.8 Ų65.819%0.18639%0.385CS..  trans79.3158.2-175.300000113.8A199 T207A199-G203 WeakPolarHBondContact O-CA 3.15Å; A199-G203 PolarHBondContact O-N 3.38Å; G203-T207 WeakPolarHBondContact O-CG2 3.47Å; G203-T207 PolarHBondContact O-OG1 3.02Å
204H96.1Very high95.6Very high60 Ų6062.5 Ų62.528%0.27838%0.375SS..G310 helixtrans-76.5-27.8-172.9-68.8-62.4000114.7T206 T207 S208 W209 W268H204-T206 PolarHBondContact O-N 2.77Å; H204-T207 PolarHBondContact O-N 3.47Å; H204-S208 PolarHBondContact ND1-OG 2.8Å; H204-S208 PolarHBondContact O-N 2.73Å; H204-W209 HydrophobicContact CB-CD2 4.28Å; H204-W209 HydrophobicContact CB-CG 4.07Å; H204-W209 WeakPolarHBondContact O-CB 3.44Å; H204-W209 PolarHBondContact O-N 2.88Å; H204-W209 VanDerWaalsContact O-N 3.09Å; H204-W268 AromaticContact CE1-CH2 3.35Å; H204-W268 WeakPolarHBondContact CE1-CH2 3.34Å; H204-W268 AromaticContact CE1-CZ2 3.67Å; H204-W268 AromaticContact CE1-CZ3 3.75Å
205F95.7Very high95.5Very high115 Ų11561.8 Ų61.850%0.50437%0.374SS..G310 helixtrans-61.7-26.2-178.4-70.42.8000113.1M166 W209 P210M166-F205 HydrophobicContact SD-CE2 4.19Å; M166-F205 HydrophobicContact SD-CZ 4.38Å; F205-W209 HydrophobicContact CD1-CD2 4.25Å; F205-W209 AromaticContact CD1-CE3 3.61Å; F205-W209 HydrophobicContact CD1-CE3 3.61Å; F205-W209 HydrophobicContact CD1-CH2 4.4Å; F205-W209 AromaticContact CD1-CZ3 3.72Å; F205-W209 HydrophobicContact CD1-CZ3 3.72Å; F205-W209 AromaticContact CE1-CE3 3.71Å; F205-W209 HydrophobicContact CE1-CE3 3.71Å; F205-W209 AromaticContact CE1-CH2 3.77Å; F205-W209 HydrophobicContact CE1-CH2 3.77Å; F205-W209 AromaticContact CE1-CZ3 3.28Å; F205-W209 HydrophobicContact CE1-CZ3 3.28Å; F205-W209 HydrophobicContact CZ-CZ3 4.33Å; F205-P210 VanDerWaalsContact O-CG 3.22Å; F205-P210 WeakPolarHBondContact O-CG 3.24Å
206T94.8Very high95.6Very high105 Ų10560.9 Ų60.964%0.64438%0.38SS*.G310 helixtrans-112.7-0.3-17857.90000113.1K202 H204K202-T206 PolarHBondContact O-OG1 2.92Å; H204-T206 PolarHBondContact O-N 2.77Å
207T95.1Very high95.7Very high44 Ų4460 Ų6027%0.2737%0.369SS..THydrogen-bonded Turntrans-122.3-87.1-176.959.20000111.9A199 K202 G203 H204A199-T207 WeakPolarHBondContact CB-OG1 3.42Å; K202-T207 HydrophobicContact CB-CG2 3.63Å; K202-T207 HydrophobicContact CD-CG2 4.09Å; G203-T207 WeakPolarHBondContact O-CG2 3.47Å; G203-T207 PolarHBondContact O-OG1 3.02Å; H204-T207 PolarHBondContact O-N 3.47Å
208S93.2Very high95.8Very high21 Ų2158.7 Ų58.715%0.14735%0.352CS..THydrogen-bonded Turntrans-79.6-27.9-17059.70000114.1H204 K212H204-S208 PolarHBondContact ND1-OG 2.8Å; H204-S208 PolarHBondContact O-N 2.73Å; S208-K212 VanDerWaalsContact O-CB 3.31Å; S208-K212 WeakPolarHBondContact O-CB 3.34Å; S208-K212 WeakPolarHBondContact O-CG 3.28Å
209W96.9Very high95.9Very high40 Ų4058.6 Ų58.615%0.15235%0.354CS..SBendtrans-76.4-43.9-171.3-78.119.4000116H204 F205 N211 K212 V213 L214 L272H204-W209 HydrophobicContact CB-CD2 4.28Å; H204-W209 HydrophobicContact CB-CG 4.07Å; H204-W209 WeakPolarHBondContact O-CB 3.44Å; H204-W209 PolarHBondContact O-N 2.88Å; H204-W209 VanDerWaalsContact O-N 3.09Å; F205-W209 HydrophobicContact CD1-CD2 4.25Å; F205-W209 AromaticContact CD1-CE3 3.61Å; F205-W209 HydrophobicContact CD1-CE3 3.61Å; F205-W209 HydrophobicContact CD1-CH2 4.4Å; F205-W209 AromaticContact CD1-CZ3 3.72Å; F205-W209 HydrophobicContact CD1-CZ3 3.72Å; F205-W209 AromaticContact CE1-CE3 3.71Å; F205-W209 HydrophobicContact CE1-CE3 3.71Å; F205-W209 AromaticContact CE1-CH2 3.77Å; F205-W209 HydrophobicContact CE1-CH2 3.77Å; F205-W209 AromaticContact CE1-CZ3 3.28Å; F205-W209 HydrophobicContact CE1-CZ3 3.28Å; F205-W209 HydrophobicContact CZ-CZ3 4.33Å; W209-N211 VanDerWaalsContact C-N 3.27Å; W209-N211 PolarHBondContact O-N 3.3Å; W209-K212 PolarHBondContact O-N 2.79Å; W209-V213 HydrophobicContact CB-CG1 4.19Å; W209-V213 HydrophobicContact CD2-CG1 4.02Å; W209-V213 HydrophobicContact CG-CG1 3.84Å; W209-L214 HydrophobicContact CB-CD1 3.81Å; W209-L214 HydrophobicContact CB-CG 3.96Å; W209-L214 HydrophobicContact CE3-CD1 4.32Å; W209-L214 HydrophobicContact CE3-CD2 4.33Å; W209-L214 HydrophobicContact CE3-CG 4.39Å; W209-L214 WeakPolarHBondContact O-CB 3.4Å; W209-L214 PolarHBondContact O-N 3.2Å; W209-L214 VanDerWaalsContact O-N 3.11Å; W209-L272 HydrophobicContact CE3-CD2 4.02Å; W209-L272 HydrophobicContact CH2-CB 4.05Å; W209-L272 HydrophobicContact CH2-CD1 3.86Å; W209-L272 HydrophobicContact CH2-CD2 4.12Å; W209-L272 HydrophobicContact CH2-CG 4.23Å; W209-L272 HydrophobicContact CZ2-CB 4.05Å; W209-L272 HydrophobicContact CZ3-CD1 4.06Å; W209-L272 HydrophobicContact CZ3-CD2 3.77Å; W209-L272 HydrophobicContact CZ3-CG 4.34Å
210P97Very high95.9Very high54 Ų5460.9 Ų60.935%0.35137%0.367SS..THydrogen-bonded Turntrans-55.4-38.3-174-30.237.4000114.5F205F205-P210 VanDerWaalsContact O-CG 3.22Å; F205-P210 WeakPolarHBondContact O-CG 3.24Å
211N94.8Very high95.9Very high130 Ų13061.5 Ų61.570%0.69537%0.372SS*.THydrogen-bonded Turntrans-9910.9-178.1-61.8-33.3000113.5W209 S215W209-N211 VanDerWaalsContact C-N 3.27Å; W209-N211 PolarHBondContact O-N 3.3Å; N211-S215 VanDerWaalsContact C-OG 3.22Å; N211-S215 PolarHBondContact O-OG 3.4Å
212K96.9Very high96Very high35 Ų3562.4 Ų62.415%0.15236%0.362CS..THydrogen-bonded Turntrans-131.2-107.3179.7-68.3-66.2-176.8-177.40111.3S208 W209 L214 S215 G216 D217 S219 S269S208-K212 VanDerWaalsContact O-CB 3.31Å; S208-K212 WeakPolarHBondContact O-CB 3.34Å; S208-K212 WeakPolarHBondContact O-CG 3.28Å; W209-K212 PolarHBondContact O-N 2.79Å; K212-L214 PolarHBondContact O-N 2.67Å; K212-L214 VanDerWaalsContact O-N 3.11Å; K212-S215 PolarHBondContact N-OG 3.1Å; K212-S215 CarbonylContact O-C 3.59Å; K212-S215 PolarHBondContact O-N 2.87Å; K212-S215 PolarHBondContact O-OG 3.39Å; K212-G216 PolarHBondContact O-N 2.85Å; K212-G216 VanDerWaalsContact O-N 3.14Å; K212-D217 CarbonylContact C-O 3.05Å; K212-D217 VanDerWaalsContact CA-O 3.31Å; K212-D217 WeakPolarHBondContact CA-O 3.41Å; K212-D217 WeakPolarHBondContact CD-OD2 3.26Å; K212-D217 IonicContact NZ-OD2 2.79Å; K212-D217 PolarHBondContact NZ-OD2 2.85Å; K212-D217 PolarHBondContact O-N 3.08Å; K212-S219 PolarHBondContact NZ-O 2.97Å; K212-S219 PolarHBondContact NZ-OG 3.44Å; K212-S269 VanDerWaalsContact CB-OG 3.24Å; K212-S269 WeakPolarHBondContact CB-OG 3.38Å
213V97.6Very high96.2Very high4 Ų459.4 Ų59.42%0.02435%0.351CS..G310 helixtrans-58.3-31.4-174.369.70000113.6W209 G216 L218 S269 L272 E273W209-V213 HydrophobicContact CB-CG1 4.19Å; W209-V213 HydrophobicContact CD2-CG1 4.02Å; W209-V213 HydrophobicContact CG-CG1 3.84Å; V213-G216 PolarHBondContact O-N 3.45Å; V213-L218 HydrophobicContact CB-CD2 4.16Å; V213-L218 HydrophobicContact CG2-CD2 3.89Å; V213-S269 PolarHBondContact N-OG 3.42Å; V213-L272 HydrophobicContact CB-CD2 4.49Å; V213-L272 HydrophobicContact CG1-CB 4.25Å; V213-L272 HydrophobicContact CG1-CD2 3.72Å; V213-L272 HydrophobicContact CG2-CB 4.04Å; V213-L272 HydrophobicContact CG2-CD2 3.95Å; V213-L272 HydrophobicContact CG2-CG 4.33Å; V213-E273 HydrophobicContact CG2-CG 3.9Å
214L96.5Very high96.4Very high97 Ų9758.5 Ų58.551%0.50834%0.342SS..G310 helixtrans-78.8-22.8178.8-61.3-179.7000113.4W209 K212 L272W209-L214 HydrophobicContact CB-CD1 3.81Å; W209-L214 HydrophobicContact CB-CG 3.96Å; W209-L214 HydrophobicContact CE3-CD1 4.32Å; W209-L214 HydrophobicContact CE3-CD2 4.33Å; W209-L214 HydrophobicContact CE3-CG 4.39Å; W209-L214 WeakPolarHBondContact O-CB 3.4Å; W209-L214 PolarHBondContact O-N 3.2Å; W209-L214 VanDerWaalsContact O-N 3.11Å; K212-L214 PolarHBondContact O-N 2.67Å; K212-L214 VanDerWaalsContact O-N 3.11Å; L214-L272 HydrophobicContact CD2-CD2 3.87Å
215S96.2Very high96.5Very high76 Ų7658 Ų5853%0.53134%0.341SS..G310 helixtrans-91.71172.662.70000113.1N211 K212N211-S215 VanDerWaalsContact C-OG 3.22Å; N211-S215 PolarHBondContact O-OG 3.4Å; K212-S215 PolarHBondContact N-OG 3.1Å; K212-S215 CarbonylContact O-C 3.59Å; K212-S215 PolarHBondContact O-N 2.87Å; K212-S215 PolarHBondContact O-OG 3.39Å
216G96.4Very high96.6Very high40 Ų4055.6 Ų55.641%0.41233%0.333SS..THydrogen-bonded Turntrans84.87.2-177.600000115.1K212 V213K212-G216 PolarHBondContact O-N 2.85Å; K212-G216 VanDerWaalsContact O-N 3.14Å; V213-G216 PolarHBondContact O-N 3.45Å
217D97.1Very high96.8Very high53 Ų5351 Ų5128%0.28331%0.306SS..  trans-97112179.817626.9000111.2K212 S219K212-D217 CarbonylContact C-O 3.05Å; K212-D217 VanDerWaalsContact CA-O 3.31Å; K212-D217 WeakPolarHBondContact CA-O 3.41Å; K212-D217 WeakPolarHBondContact CD-OD2 3.26Å; K212-D217 IonicContact NZ-OD2 2.79Å; K212-D217 PolarHBondContact NZ-OD2 2.85Å; K212-D217 PolarHBondContact O-N 3.08Å; D217-S219 VanDerWaalsContact CG-OG 3.28Å; D217-S219 WeakPolarHBondContact OD1-CB 3.36Å; D217-S219 PolarHBondContact OD1-N 2.89Å; D217-S219 PolarHBondContact OD1-OG 3.47Å; D217-S219 PolarHBondContact OD2-OG 2.85Å
218L97.6Very high96.9Very high18 Ų1849.8 Ų49.89%0.09430%0.297CS..  trans-104.27.4173.6-52-173.7000113.1V213 Q266 D267 A270 V285V213-L218 HydrophobicContact CB-CD2 4.16Å; V213-L218 HydrophobicContact CG2-CD2 3.89Å; L218-Q266 HydrophobicContact CB-CB 4.32Å; L218-Q266 HydrophobicContact CB-CG 4.42Å; L218-D267 PolarHBondContact O-N 3.37Å; L218-A270 HydrophobicContact CD1-CB 4.28Å; L218-A270 HydrophobicContact CD2-CB 3.96Å; L218-V285 HydrophobicContact CD1-CB 3.93Å; L218-V285 HydrophobicContact CD1-CG1 3.65Å; L218-V285 HydrophobicContact CD2-CB 4.38Å; L218-V285 HydrophobicContact CD2-CG1 4.34Å; L218-V285 HydrophobicContact CG-CB 4.17Å; L218-V285 HydrophobicContact CG-CG1 3.67Å
219S97Very high97.2Very high63 Ų6353.9 Ų53.944%0.44131%0.312SS..SBendtrans-64.2133174.770.20000109.9K212 D217 A221K212-S219 PolarHBondContact NZ-O 2.97Å; K212-S219 PolarHBondContact NZ-OG 3.44Å; D217-S219 VanDerWaalsContact CG-OG 3.28Å; D217-S219 WeakPolarHBondContact OD1-CB 3.36Å; D217-S219 PolarHBondContact OD1-N 2.89Å; D217-S219 PolarHBondContact OD1-OG 3.47Å; D217-S219 PolarHBondContact OD2-OG 2.85Å; S219-A221 PolarHBondContact O-N 2.6Å
220P95.3Very high97.3Very high69 Ų6955 Ų5545%0.44832%0.321SS..  trans-73.9120.4-165.628.5-35000112M223P220-M223 HydrophobicContact CB-CG 3.45Å; P220-M223 VanDerWaalsContact CB-CG 3.45Å; P220-M223 HydrophobicContact CG-CG 4.04Å
221A95.5Very high97.3Very high81 Ų8154.3 Ų54.367%0.66931%0.314SS*.SBendtrans-86.2-35152.600000109.9S219 D267S219-A221 PolarHBondContact O-N 2.6Å; A221-D267 PolarHBondContact N-OD1 3.22Å
222F97.3Very high97.5Very high67 Ų6748.9 Ų48.929%0.29429%0.289SS..SBendtrans-145.8120.6171.5-174.1-116.4000109.1L226 A227 D230 D267 W268F222-L226 HydrophobicContact CD2-CB 4.18Å; F222-L226 HydrophobicContact CD2-CD1 4.22Å; F222-L226 HydrophobicContact CE2-CB 3.64Å; F222-L226 HydrophobicContact CE2-CD1 4.22Å; F222-L226 HydrophobicContact CZ-CB 3.84Å; F222-A227 HydrophobicContact CD1-CB 4.19Å; F222-A227 HydrophobicContact CE1-CB 3.61Å; F222-A227 HydrophobicContact CZ-CB 4.46Å; F222-D230 WeakPolarHBondContact CZ-OD2 3.2Å; F222-D267 PolarHBondContact N-OD1 2.85Å; F222-D267 CarbonylContact O-C 3.51Å; F222-D267 WeakPolarHBondContact O-CA 3.28Å; F222-W268 HydrophobicContact CB-CG 4.46Å; F222-W268 HydrophobicContact CD1-CB 4.23Å; F222-W268 AromaticContact CD1-CD2 3.89Å; F222-W268 HydrophobicContact CD1-CD2 3.89Å; F222-W268 HydrophobicContact CD1-CE3 4.05Å; F222-W268 AromaticContact CD1-CG 3.98Å; F222-W268 HydrophobicContact CD1-CG 3.98Å; F222-W268 HydrophobicContact CE1-CE3 4.37Å; F222-W268 WeakPolarHBondContact O-CB 3.47Å; F222-W268 PolarHBondContact O-N 3.43Å
223M98.4Very high97.6Very high57 Ų5751.6 Ų51.628%0.28130%0.304SS..BIsolated β-bridgetrans-76.1149.6-171.1-68.8-175.6-65.600113P220 D225 L226 A227 R265 Q266P220-M223 HydrophobicContact CB-CG 3.45Å; P220-M223 VanDerWaalsContact CB-CG 3.45Å; P220-M223 HydrophobicContact CG-CG 4.04Å; M223-D225 PolarHBondContact O-N 2.75Å; M223-L226 HydrophobicContact CB-CB 4.46Å; M223-L226 HydrophobicContact CB-CD1 4.26Å; M223-L226 HydrophobicContact CB-CG 4.14Å; M223-L226 HydrophobicContact CE-CD1 3.82Å; M223-L226 HydrophobicContact CE-CG 3.95Å; M223-L226 WeakPolarHBondContact O-CB 3.41Å; M223-L226 PolarHBondContact O-N 2.97Å; M223-A227 PolarHBondContact O-N 3.28Å; M223-R265 HydrophobicContact SD-CB 4.42Å; M223-R265 HydrophobicContact SD-CG 4.48Å; M223-Q266 WeakPolarHBondContact CA-O 3.41Å
224I98.6Very high97.6Very high0 Ų053.1 Ų53.10%032%0.317CS..Hα-helixtrans-52.4-42.8168.8-77.6-177.6000111.9L226 A227 H228 Y255 A258 R259 R263 G264 Q266 A270I224-L226 VanDerWaalsContact C-N 3.26Å; I224-L226 PolarHBondContact O-N 2.96Å; I224-A227 PolarHBondContact O-N 3.18Å; I224-H228 WeakPolarHBondContact O-CB 3.5Å; I224-H228 PolarHBondContact O-N 3.01Å; I224-Y255 HydrophobicContact CG1-CD1 4.44Å; I224-Y255 HydrophobicContact CG2-CD1 4.13Å; I224-A258 HydrophobicContact CD1-CB 3.92Å; I224-A258 HydrophobicContact CG2-CB 4.19Å; I224-R259 HydrophobicContact CG2-CG 3.6Å; I224-R263 HydrophobicContact CD1-CB 3.93Å; I224-G264 PolarHBondContact N-O 2.87Å; I224-Q266 PolarHBondContact N-O 3.32Å; I224-A270 HydrophobicContact CD1-CB 4.08Å
225D98.6Very high97.7Very high50 Ų5049.8 Ų49.827%0.26730%0.3SS..Hα-helixtrans-59.3-37.8177.3-79.1-32.3000112.2M223 K229 R259 G264M223-D225 PolarHBondContact O-N 2.75Å; D225-K229 WeakPolarHBondContact O-CB 3.44Å; D225-K229 PolarHBondContact O-N 3Å; D225-K229 VanDerWaalsContact O-N 3.09Å; D225-R259 WeakPolarHBondContact OD1-CD 3.23Å; D225-R259 WeakPolarHBondContact OD1-CG 3.39Å; D225-R259 IonicContact OD1-CZ 3.55Å; D225-R259 IonicContact OD1-NE 2.71Å; D225-R259 PolarHBondContact OD1-NE 3.26Å; D225-R259 IonicContact OD1-NH2 3.53Å; D225-G264 PolarHBondContact N-O 2.66Å; D225-G264 VanDerWaalsContact OD2-C 3.31Å
226L98.5Very high97.8Very high64 Ų6450.2 Ų50.234%0.33530%0.296SS..Hα-helixtrans-73.9-43.3178.3-64.4176.2000111.4F222 M223 I224 H228 K229 D230F222-L226 HydrophobicContact CD2-CB 4.18Å; F222-L226 HydrophobicContact CD2-CD1 4.22Å; F222-L226 HydrophobicContact CE2-CB 3.64Å; F222-L226 HydrophobicContact CE2-CD1 4.22Å; F222-L226 HydrophobicContact CZ-CB 3.84Å; M223-L226 HydrophobicContact CB-CB 4.46Å; M223-L226 HydrophobicContact CB-CD1 4.26Å; M223-L226 HydrophobicContact CB-CG 4.14Å; M223-L226 HydrophobicContact CE-CD1 3.82Å; M223-L226 HydrophobicContact CE-CG 3.95Å; M223-L226 WeakPolarHBondContact O-CB 3.41Å; M223-L226 PolarHBondContact O-N 2.97Å; I224-L226 VanDerWaalsContact C-N 3.26Å; I224-L226 PolarHBondContact O-N 2.96Å; L226-H228 VanDerWaalsContact C-N 3.34Å; L226-H228 PolarHBondContact O-N 2.9Å; L226-K229 WeakPolarHBondContact O-CB 3.39Å; L226-K229 PolarHBondContact O-N 2.94Å; L226-K229 VanDerWaalsContact O-N 3.16Å; L226-D230 PolarHBondContact O-N 3.22Å
227A98Very high97.9Very high8 Ų850.5 Ų50.57%0.06629%0.29CS..Hα-helixtrans-58.2-46.1174.800000111.6F222 M223 I224 K229 D230 L231 Y255 W268F222-A227 HydrophobicContact CD1-CB 4.19Å; F222-A227 HydrophobicContact CE1-CB 3.61Å; F222-A227 HydrophobicContact CZ-CB 4.46Å; M223-A227 PolarHBondContact O-N 3.28Å; I224-A227 PolarHBondContact O-N 3.18Å; A227-K229 VanDerWaalsContact C-N 3.34Å; A227-K229 PolarHBondContact O-N 2.88Å; A227-D230 PolarHBondContact O-N 3.46Å; A227-L231 VanDerWaalsContact O-CB 3.29Å; A227-L231 WeakPolarHBondContact O-CB 3.48Å; A227-L231 PolarHBondContact O-N 3.28Å; A227-Y255 HydrophobicContact CB-CD1 4.25Å; A227-Y255 HydrophobicContact CB-CE1 3.78Å; A227-W268 HydrophobicContact CB-CB 4.24Å; A227-W268 HydrophobicContact CB-CE3 4.46Å
228H98.6Very high98Very high19 Ų1948 Ų489%0.08828%0.277CS..Hα-helixtrans-60.5-42.3175.2174.5-81000112.1I224 L226 G232 R252 S256 R259I224-H228 WeakPolarHBondContact O-CB 3.5Å; I224-H228 PolarHBondContact O-N 3.01Å; L226-H228 VanDerWaalsContact C-N 3.34Å; L226-H228 PolarHBondContact O-N 2.9Å; H228-G232 PolarHBondContact O-N 2.9Å; H228-R252 PolarHBondContact NE2-NE 3.39Å; H228-S256 PolarHBondContact NE2-OG 3.08Å; H228-R259 PolarHBondContact CE1-NH1 3.34Å; H228-R259 PolarHBondContact ND1-NH1 2.96Å; H228-R259 VanDerWaalsContact ND1-NH1 3.19Å
229K98.6Very high98Very high106 Ų10652.5 Ų52.546%0.46130%0.301SS..Hα-helixtrans-62.9-51.2178.1-170-141.879.6-162.10111.3D225 L226 A227 G232 I233D225-K229 WeakPolarHBondContact O-CB 3.44Å; D225-K229 PolarHBondContact O-N 3Å; D225-K229 VanDerWaalsContact O-N 3.09Å; L226-K229 WeakPolarHBondContact O-CB 3.39Å; L226-K229 PolarHBondContact O-N 2.94Å; L226-K229 VanDerWaalsContact O-N 3.16Å; A227-K229 VanDerWaalsContact C-N 3.34Å; A227-K229 PolarHBondContact O-N 2.88Å; K229-G232 WeakPolarHBondContact O-CA 3.3Å; K229-G232 PolarHBondContact O-N 2.71Å; K229-G232 VanDerWaalsContact O-N 3.12Å; K229-I233 PolarHBondContact O-N 2.91Å
230D98.3Very high98.1Very high65 Ų6555.5 Ų55.535%0.34831%0.308SS..Hα-helixtrans-65.7-39.8-177.2-71.2-14.9000111.7F222 L226 A227 G232 I233 A234F222-D230 WeakPolarHBondContact CZ-OD2 3.2Å; L226-D230 PolarHBondContact O-N 3.22Å; A227-D230 PolarHBondContact O-N 3.46Å; D230-G232 VanDerWaalsContact C-N 3.3Å; D230-G232 PolarHBondContact O-N 3.35Å; D230-I233 PolarHBondContact O-N 2.98Å; D230-A234 PolarHBondContact O-N 3.11Å; D230-A234 VanDerWaalsContact O-N 3.08Å
231L97.6Very high98.2Very high39 Ų3955.4 Ų55.420%0.20430%0.303CS..Hα-helixtrans-64.3-36.3172.4-173.257.9000111.8A227 I233 A234 L235 R252 Y255A227-L231 VanDerWaalsContact O-CB 3.29Å; A227-L231 WeakPolarHBondContact O-CB 3.48Å; A227-L231 PolarHBondContact O-N 3.28Å; L231-I233 VanDerWaalsContact C-N 3.34Å; L231-I233 PolarHBondContact O-N 3.42Å; L231-A234 PolarHBondContact O-N 3.42Å; L231-L235 HydrophobicContact CG-CD1 4.39Å; L231-L235 WeakPolarHBondContact O-CG 3.47Å; L231-L235 PolarHBondContact O-N 3.08Å; L231-R252 HydrophobicContact CD2-CB 3.72Å; L231-R252 HydrophobicContact CG-CB 4.12Å; L231-Y255 HydrophobicContact CD2-CD2 4.24Å; L231-Y255 HydrophobicContact CD2-CE2 4.46Å
232G98.5Very high98.3Very high15 Ų1559.7 Ų59.716%0.15531%0.309CS..Hα-helixtrans-60.4-40.5172.800000113.2H228 K229 D230 L235 D236H228-G232 PolarHBondContact O-N 2.9Å; K229-G232 WeakPolarHBondContact O-CA 3.3Å; K229-G232 PolarHBondContact O-N 2.71Å; K229-G232 VanDerWaalsContact O-N 3.12Å; D230-G232 VanDerWaalsContact C-N 3.3Å; D230-G232 PolarHBondContact O-N 3.35Å; G232-L235 PolarHBondContact O-N 2.75Å; G232-D236 PolarHBondContact O-N 3Å
233I98.7Very high98.4Very high92 Ų9257.2 Ų57.247%0.47230%0.299SS..Hα-helixtrans-63.4-47.4174.8-66.6167.5000110.4K229 D230 L231 L235 D236 V237K229-I233 PolarHBondContact O-N 2.91Å; D230-I233 PolarHBondContact O-N 2.98Å; L231-I233 VanDerWaalsContact C-N 3.34Å; L231-I233 PolarHBondContact O-N 3.42Å; I233-L235 VanDerWaalsContact C-N 3.3Å; I233-L235 PolarHBondContact O-N 2.96Å; I233-D236 PolarHBondContact O-N 3Å; I233-V237 HydrophobicContact CG2-CG2 4.49Å; I233-V237 WeakPolarHBondContact O-CG2 3.43Å; I233-V237 PolarHBondContact O-N 3.48Å
234A98.2Very high98.3Very high37 Ų3759.4 Ų59.431%0.30632%0.318SS..Hα-helixtrans-59.3-41.8179.400000112.2D230 L231 A238D230-A234 PolarHBondContact O-N 3.11Å; D230-A234 VanDerWaalsContact O-N 3.08Å; L231-A234 PolarHBondContact O-N 3.42Å; A234-A238 WeakPolarHBondContact O-CB 3.34Å; A234-A238 PolarHBondContact O-N 2.89Å
235L98.6Very high98.3Very high27 Ų2760.8 Ų60.814%0.14132%0.324CS..Hα-helixtrans-68.5-36.7177.7-68.8172.8000113.1L231 G232 I233 N239 M245 A249 R252L231-L235 HydrophobicContact CG-CD1 4.39Å; L231-L235 WeakPolarHBondContact O-CG 3.47Å; L231-L235 PolarHBondContact O-N 3.08Å; G232-L235 PolarHBondContact O-N 2.75Å; I233-L235 VanDerWaalsContact C-N 3.3Å; I233-L235 PolarHBondContact O-N 2.96Å; L235-N239 WeakPolarHBondContact O-CB 3.42Å; L235-N239 PolarHBondContact O-N 3.05Å; L235-M245 HydrophobicContact CD2-CB 3.55Å; L235-M245 HydrophobicContact CD2-CG 4.3Å; L235-A249 HydrophobicContact CD1-CB 4.49Å; L235-A249 HydrophobicContact CD2-CB 4.43Å; L235-R252 HydrophobicContact CD1-CB 3.9Å; L235-R252 HydrophobicContact CD1-CG 4.38Å
236D98.7Very high98.3Very high85 Ų8562.3 Ų62.346%0.45534%0.337SS..Hα-helixtrans-65.1-45.5175.2-177.456000111.5G232 I233 A238 N239 Q240G232-D236 PolarHBondContact O-N 3Å; I233-D236 PolarHBondContact O-N 3Å; D236-A238 PolarHBondContact O-N 3.08Å; D236-N239 WeakPolarHBondContact O-CB 3.47Å; D236-N239 PolarHBondContact O-N 2.91Å; D236-Q240 WeakPolarHBondContact O-CG 3.47Å; D236-Q240 PolarHBondContact O-N 3.45Å; D236-Q240 PolarHBondContact OD2-NE2 2.96Å
237V98.6Very high98.3Very high46 Ų4662 Ų6228%0.27934%0.336SS..Hα-helixtrans-59.9-47.1174.9171.10000111.1L184 I233 N239 Q240 L241L184-V237 HydrophobicContact CD1-CG1 4.49Å; L184-V237 HydrophobicContact CD2-CG1 3.85Å; I233-V237 HydrophobicContact CG2-CG2 4.49Å; I233-V237 WeakPolarHBondContact O-CG2 3.43Å; I233-V237 PolarHBondContact O-N 3.48Å; V237-N239 VanDerWaalsContact C-N 3.28Å; V237-N239 PolarHBondContact O-N 3.12Å; V237-Q240 PolarHBondContact O-N 3.27Å; V237-L241 HydrophobicContact CG1-CD1 4Å; V237-L241 WeakPolarHBondContact O-CG 3.28Å; V237-L241 PolarHBondContact O-N 3.49Å; V237-L241 VanDerWaalsContact O-N 3.11Å
238A98.5Very high98.3Very high1 Ų161.8 Ų61.81%0.00833%0.334CS..Hα-helixtrans-59.8-40.3177.300000111.9L180 A234 D236 L241 H242 V243 M245L180-A238 HydrophobicContact CD1-CB 3.92Å; A234-A238 WeakPolarHBondContact O-CB 3.34Å; A234-A238 PolarHBondContact O-N 2.89Å; D236-A238 PolarHBondContact O-N 3.08Å; A238-L241 CarbonylContact O-C 3.31Å; A238-L241 PolarHBondContact O-N 3.22Å; A238-H242 PolarHBondContact O-N 3.28Å; A238-V243 HydrophobicContact CB-CB 4.24Å; A238-V243 PolarHBondContact O-N 3.36Å; A238-M245 HydrophobicContact CB-CG 3.39Å; A238-M245 HydrophobicContact CB-SD 4.32Å
239N98.3Very high98.3Very high111 Ų11163.2 Ų63.259%0.59435%0.349SS*.Hα-helixtrans-63.1-42.1176.5-179.764.4000112.5L235 D236 V237 L241 H242L235-N239 WeakPolarHBondContact O-CB 3.42Å; L235-N239 PolarHBondContact O-N 3.05Å; D236-N239 WeakPolarHBondContact O-CB 3.47Å; D236-N239 PolarHBondContact O-N 2.91Å; V237-N239 VanDerWaalsContact C-N 3.28Å; V237-N239 PolarHBondContact O-N 3.12Å; N239-L241 PolarHBondContact O-N 3.01Å; N239-H242 PolarHBondContact O-N 2.96Å; N239-H242 VanDerWaalsContact O-N 3.1Å
240Q98.5Very high98.3Very high126 Ų12661 Ų6159%0.58935%0.351SS*.Hα-helixtrans-63.6-29.9175.6-68174.72800112.7D236 V237 H242D236-Q240 WeakPolarHBondContact O-CG 3.47Å; D236-Q240 PolarHBondContact O-N 3.45Å; D236-Q240 PolarHBondContact OD2-NE2 2.96Å; V237-Q240 PolarHBondContact O-N 3.27Å; Q240-H242 VanDerWaalsContact C-N 3.35Å
241L98.2Very high98.2Very high68 Ų6860.2 Ų60.236%0.35635%0.351SS..THydrogen-bonded Turntrans-90.83.5176.6-63.5172000113.3L180 A183 L184 V237 A238 N239 V243L180-L241 HydrophobicContact CD1-CD1 4.27Å; A183-L241 HydrophobicContact CB-CB 4.31Å; A183-L241 HydrophobicContact CB-CD1 4.07Å; L184-L241 HydrophobicContact CD2-CD1 3.63Å; L184-L241 HydrophobicContact CG-CD1 3.8Å; V237-L241 HydrophobicContact CG1-CD1 4Å; V237-L241 WeakPolarHBondContact O-CG 3.28Å; V237-L241 PolarHBondContact O-N 3.49Å; V237-L241 VanDerWaalsContact O-N 3.11Å; A238-L241 CarbonylContact O-C 3.31Å; A238-L241 PolarHBondContact O-N 3.22Å; N239-L241 PolarHBondContact O-N 3.01Å; L241-V243 HydrophobicContact CB-CG2 4Å; L241-V243 PolarHBondContact O-N 3.18Å
242H97.5Very high98.3Very high170 Ų17063.1 Ų63.179%0.78736%0.359SS*.THydrogen-bonded Turntrans56.131.8-175.3-53.3-61.3000114.2A238 N239 Q240A238-H242 PolarHBondContact O-N 3.28Å; N239-H242 PolarHBondContact O-N 2.96Å; N239-H242 VanDerWaalsContact O-N 3.1Å; Q240-H242 VanDerWaalsContact C-N 3.35Å
243V98.3Very high98.2Very high16 Ų1667.3 Ų67.310%0.09737%0.374CS..  trans-92.3118.7175.2-178.60000109.5V179 L180 A183 A238 L241 M245V179-V243 HydrophobicContact CG1-CG1 3.92Å; L180-V243 HydrophobicContact CB-CG1 4.49Å; A183-V243 HydrophobicContact CB-CG2 3.52Å; A238-V243 HydrophobicContact CB-CB 4.24Å; A238-V243 PolarHBondContact O-N 3.36Å; L241-V243 HydrophobicContact CB-CG2 4Å; L241-V243 PolarHBondContact O-N 3.18Å; V243-M245 HydrophobicContact CG1-CG 4.48Å; V243-M245 HydrophobicContact CG1-SD 3.86Å
244P97.6Very high98.2Very high103 Ų10365.2 Ų65.267%0.66937%0.366SS*.  trans-72.7129.2176.96.73.2000111.3P246P244-P246 VanDerWaalsContact C-CD 3.41Å
245M98.2Very high98.2Very high28 Ų2864.6 Ų64.614%0.13836%0.356CS..  trans-12757-179.6-57.5-65.2-68.600112.4E176 L180 L235 A238 V243 L247 G248 A249E176-M245 HydrophobicContact CB-CE 3.73Å; E176-M245 HydrophobicContact CB-SD 3.82Å; E176-M245 HydrophobicContact CG-SD 4.32Å; E176-M245 WeakPolarHBondContact OE2-CA 3.43Å; L180-M245 HydrophobicContact CB-SD 4.39Å; L180-M245 HydrophobicContact CD2-CE 4.1Å; L180-M245 HydrophobicContact CD2-SD 4.5Å; L235-M245 HydrophobicContact CD2-CB 3.55Å; L235-M245 HydrophobicContact CD2-CG 4.3Å; A238-M245 HydrophobicContact CB-CG 3.39Å; A238-M245 HydrophobicContact CB-SD 4.32Å; V243-M245 HydrophobicContact CG1-CG 4.48Å; V243-M245 HydrophobicContact CG1-SD 3.86Å; M245-L247 VanDerWaalsContact C-N 3.33Å; M245-L247 PolarHBondContact O-N 3.42Å; M245-G248 PolarHBondContact O-N 3.09Å; M245-A249 WeakPolarHBondContact O-CB 3.2Å; M245-A249 PolarHBondContact O-N 2.95Å
246P98.3Very high98.2Very high82 Ų8264.9 Ų64.953%0.53236%0.36SS..Hα-helixtrans-59-37.3-175.921.3-31.9000114.2E176 P244 A249 A250E176-P246 WeakPolarHBondContact OE1-CD 3.33Å; E176-P246 WeakPolarHBondContact OE1-CG 3.4Å; E176-P246 VanDerWaalsContact OE1-N 3.15Å; P244-P246 VanDerWaalsContact C-CD 3.41Å; P246-A249 PolarHBondContact O-N 2.97Å; P246-A250 WeakPolarHBondContact O-CB 3.3Å; P246-A250 PolarHBondContact O-N 2.88Å
247L98.3Very high98.2Very high58 Ų5864.8 Ų64.830%0.30436%0.357SS..Hα-helixtrans-71.7-41.8178.2-77.178.3000111A169 A172 L173 E176 M245 A249 A250 S251A169-L247 WeakPolarHBondContact O-CD2 3.24Å; A172-L247 HydrophobicContact CB-CD1 4.24Å; A172-L247 HydrophobicContact CB-CD2 3.94Å; L173-L247 HydrophobicContact CB-CD2 3.84Å; L173-L247 HydrophobicContact CD1-CB 4.1Å; E176-L247 WeakPolarHBondContact OE1-CB 3.37Å; E176-L247 WeakPolarHBondContact OE1-CD1 3.24Å; E176-L247 PolarHBondContact OE1-N 3.41Å; E176-L247 PolarHBondContact OE2-N 2.8Å; M245-L247 VanDerWaalsContact C-N 3.33Å; M245-L247 PolarHBondContact O-N 3.42Å; L247-A249 VanDerWaalsContact C-N 3.33Å; L247-A249 PolarHBondContact O-N 3.32Å; L247-A250 PolarHBondContact O-N 3.37Å; L247-S251 WeakPolarHBondContact O-CB 3.24Å; L247-S251 PolarHBondContact O-N 3.4Å
248G97.9Very high98.1Very high4 Ų462.6 Ų62.64%0.04134%0.343CS..Hα-helixtrans-58.6-43.2171.600000112.7E176 M245 S251 R252E176-G248 PolarHBondContact OE2-N 3.39Å; M245-G248 PolarHBondContact O-N 3.09Å; G248-S251 PolarHBondContact O-N 2.98Å; G248-R252 PolarHBondContact O-N 3.21Å
249A98.4Very high98.1Very high49 Ų4967.6 Ų67.641%0.40536%0.362SS..Hα-helixtrans-64.6-45.4177.600000112L235 M245 P246 L247 S251 R252 E253L235-A249 HydrophobicContact CD1-CB 4.49Å; L235-A249 HydrophobicContact CD2-CB 4.43Å; M245-A249 WeakPolarHBondContact O-CB 3.2Å; M245-A249 PolarHBondContact O-N 2.95Å; P246-A249 PolarHBondContact O-N 2.97Å; L247-A249 VanDerWaalsContact C-N 3.33Å; L247-A249 PolarHBondContact O-N 3.32Å; A249-S251 VanDerWaalsContact C-N 3.32Å; A249-S251 PolarHBondContact O-N 3.03Å; A249-R252 PolarHBondContact O-N 3.45Å; A249-E253 PolarHBondContact O-N 3.4Å
250A98.2Very high98.1Very high59 Ų5966.7 Ų66.749%0.48837%0.37SS..Hα-helixtrans-60.6-42.2174.600000111.6P246 L247 R252 E253 V254P246-A250 WeakPolarHBondContact O-CB 3.3Å; P246-A250 PolarHBondContact O-N 2.88Å; L247-A250 PolarHBondContact O-N 3.37Å; A250-R252 VanDerWaalsContact C-N 3.34Å; A250-R252 PolarHBondContact O-N 3.08Å; A250-E253 PolarHBondContact O-N 3.27Å; A250-V254 WeakPolarHBondContact O-CG2 3.38Å; A250-V254 PolarHBondContact O-N 2.89Å
251S97.7Very high98Very high49 Ų4962.4 Ų62.434%0.34336%0.356SS..Hα-helixtrans-60.3-43176.1-177.30000111.9L247 G248 A249 E253 V254 Y255L247-S251 WeakPolarHBondContact O-CB 3.24Å; L247-S251 PolarHBondContact O-N 3.4Å; G248-S251 PolarHBondContact O-N 2.98Å; A249-S251 VanDerWaalsContact C-N 3.32Å; A249-S251 PolarHBondContact O-N 3.03Å; S251-E253 VanDerWaalsContact C-N 3.26Å; S251-E253 PolarHBondContact O-N 3.02Å; S251-V254 WeakPolarHBondContact O-CB 3.36Å; S251-V254 PolarHBondContact O-N 3.21Å; S251-V254 VanDerWaalsContact O-N 3.14Å; S251-Y255 VanDerWaalsContact O-CD2 3.25Å; S251-Y255 WeakPolarHBondContact O-CD2 3.35Å; S251-Y255 PolarHBondContact O-N 2.94Å
252R98.2Very high97.9Very high99 Ų9961.9 Ų61.937%0.37437%0.368SS..Hα-helixtrans-59.9-37.6177-174.7175.7168.3-149.32.7112H228 L231 L235 G248 A249 A250 Y255 S256H228-R252 PolarHBondContact NE2-NE 3.39Å; L231-R252 HydrophobicContact CD2-CB 3.72Å; L231-R252 HydrophobicContact CG-CB 4.12Å; L235-R252 HydrophobicContact CD1-CB 3.9Å; L235-R252 HydrophobicContact CD1-CG 4.38Å; G248-R252 PolarHBondContact O-N 3.21Å; A249-R252 PolarHBondContact O-N 3.45Å; A250-R252 VanDerWaalsContact C-N 3.34Å; A250-R252 PolarHBondContact O-N 3.08Å; R252-Y255 WeakPolarHBondContact O-CB 3.43Å; R252-Y255 PolarHBondContact O-N 2.78Å; R252-S256 PolarHBondContact O-N 3.43Å; R252-S256 PolarHBondContact O-OG 3.49Å
253E97.9Very high97.9Very high103 Ų10354 Ų5448%0.48133%0.331SS..Hα-helixtrans-66.3-37.3176.9-173.851.6-145.900112.6A249 A250 S251 Y255 S256 Q257A249-E253 PolarHBondContact O-N 3.4Å; A250-E253 PolarHBondContact O-N 3.27Å; S251-E253 VanDerWaalsContact C-N 3.26Å; S251-E253 PolarHBondContact O-N 3.02Å; E253-Y255 VanDerWaalsContact C-N 3.28Å; E253-Y255 PolarHBondContact O-N 2.93Å; E253-S256 WeakPolarHBondContact O-CB 3.41Å; E253-S256 PolarHBondContact O-N 3.47Å; E253-S256 VanDerWaalsContact O-N 3.14Å; E253-Q257 WeakPolarHBondContact O-CG 3.45Å; E253-Q257 PolarHBondContact O-N 2.92Å
254V98Very high97.9Very high49 Ų4953.6 Ų53.630%0.29733%0.329SS..Hα-helixtrans-60.6-40.5172.6-172.30000110.7A250 S251 Q257 A258 I271 V275A250-V254 WeakPolarHBondContact O-CG2 3.38Å; A250-V254 PolarHBondContact O-N 2.89Å; S251-V254 WeakPolarHBondContact O-CB 3.36Å; S251-V254 PolarHBondContact O-N 3.21Å; S251-V254 VanDerWaalsContact O-N 3.14Å; V254-Q257 PolarHBondContact O-N 3.23Å; V254-A258 PolarHBondContact O-N 2.58Å; V254-A258 VanDerWaalsContact O-N 3.16Å; V254-I271 HydrophobicContact CB-CD1 4.49Å; V254-I271 HydrophobicContact CG1-CD1 3.71Å; V254-I271 HydrophobicContact CG1-CG1 3.9Å; V254-V275 HydrophobicContact CG1-CG2 3.99Å
255Y98.5Very high97.9Very high24 Ų2458.5 Ų58.59%0.09433%0.334CS..Hα-helixtrans-67.7-38.4173.8-74.6-74.8000112.7I224 A227 L231 S251 R252 E253 Q257 A258 R259 W268 I271I224-Y255 HydrophobicContact CG1-CD1 4.44Å; I224-Y255 HydrophobicContact CG2-CD1 4.13Å; A227-Y255 HydrophobicContact CB-CD1 4.25Å; A227-Y255 HydrophobicContact CB-CE1 3.78Å; L231-Y255 HydrophobicContact CD2-CD2 4.24Å; L231-Y255 HydrophobicContact CD2-CE2 4.46Å; S251-Y255 VanDerWaalsContact O-CD2 3.25Å; S251-Y255 WeakPolarHBondContact O-CD2 3.35Å; S251-Y255 PolarHBondContact O-N 2.94Å; R252-Y255 WeakPolarHBondContact O-CB 3.43Å; R252-Y255 PolarHBondContact O-N 2.78Å; E253-Y255 VanDerWaalsContact C-N 3.28Å; E253-Y255 PolarHBondContact O-N 2.93Å; Y255-Q257 VanDerWaalsContact C-N 3.31Å; Y255-Q257 PolarHBondContact O-N 3.21Å; Y255-A258 PolarHBondContact O-N 2.95Å; Y255-R259 VanDerWaalsContact O-CG 3.3Å; Y255-R259 WeakPolarHBondContact O-CG 3.34Å; Y255-R259 PolarHBondContact O-N 2.99Å; Y255-W268 HydrophobicContact CE1-CB 4.48Å; Y255-I271 HydrophobicContact CD1-CD1 3.82Å; Y255-I271 HydrophobicContact CD1-CG1 4.49Å; Y255-I271 HydrophobicContact CE1-CB 4.44Å; Y255-I271 HydrophobicContact CE1-CD1 4.08Å; Y255-I271 HydrophobicContact CE1-CG1 4.28Å; Y255-I271 HydrophobicContact CG-CD1 4.26Å
256S98.4Very high97.9Very high33 Ų3358.1 Ų58.123%0.23133%0.332CS..Hα-helixtrans-56.5-45.2173.9-64.10000111.7H228 R252 E253 A258 R259 A260H228-S256 PolarHBondContact NE2-OG 3.08Å; R252-S256 PolarHBondContact O-N 3.43Å; R252-S256 PolarHBondContact O-OG 3.49Å; E253-S256 WeakPolarHBondContact O-CB 3.41Å; E253-S256 PolarHBondContact O-N 3.47Å; E253-S256 VanDerWaalsContact O-N 3.14Å; S256-A258 PolarHBondContact O-N 3.35Å; S256-R259 PolarHBondContact O-N 2.94Å; S256-A260 WeakPolarHBondContact O-CB 3.45Å; S256-A260 PolarHBondContact O-N 3.05Å
257Q97.9Very high97.9Very high82 Ų8254.2 Ų54.238%0.38331%0.307SS..Hα-helixtrans-62-42.7176.5-67.5171.514.700111.9E253 V254 Y255 R259 A260 A261E253-Q257 WeakPolarHBondContact O-CG 3.45Å; E253-Q257 PolarHBondContact O-N 2.92Å; V254-Q257 PolarHBondContact O-N 3.23Å; Y255-Q257 VanDerWaalsContact C-N 3.31Å; Y255-Q257 PolarHBondContact O-N 3.21Å; Q257-R259 VanDerWaalsContact C-N 3.34Å; Q257-R259 PolarHBondContact O-N 3.48Å; Q257-A260 PolarHBondContact O-N 3.5Å; Q257-A261 WeakPolarHBondContact O-CB 3.47Å; Q257-A261 PolarHBondContact O-N 3.18Å
258A98.1Very high97.9Very high0 Ų054.3 Ų54.30%030%0.304CS..Hα-helixtrans-62.6-40.7176.700000112.4I224 V254 Y255 S256 A261 G262 R263 I271 Q274I224-A258 HydrophobicContact CD1-CB 3.92Å; I224-A258 HydrophobicContact CG2-CB 4.19Å; V254-A258 PolarHBondContact O-N 2.58Å; V254-A258 VanDerWaalsContact O-N 3.16Å; Y255-A258 PolarHBondContact O-N 2.95Å; S256-A258 PolarHBondContact O-N 3.35Å; A258-A261 PolarHBondContact O-N 2.96Å; A258-G262 PolarHBondContact O-N 2.79Å; A258-R263 HydrophobicContact CB-CB 4.45Å; A258-R263 VanDerWaalsContact O-CB 3.31Å; A258-R263 WeakPolarHBondContact O-CB 3.34Å; A258-R263 PolarHBondContact O-N 2.81Å; A258-I271 HydrophobicContact CB-CD1 3.79Å; A258-Q274 HydrophobicContact CB-CB 3.96Å; A258-Q274 HydrophobicContact CB-CG 3.77Å
259R98.4Very high97.9Very high106 Ų10654.2 Ų54.240%0.430%0.302SS..Iπ-helixtrans-63.5-47.5175.7-67.5174.373.1-144.4-4.1111.4I224 D225 H228 Y255 S256 Q257 A261 G262I224-R259 HydrophobicContact CG2-CG 3.6Å; D225-R259 WeakPolarHBondContact OD1-CD 3.23Å; D225-R259 WeakPolarHBondContact OD1-CG 3.39Å; D225-R259 IonicContact OD1-CZ 3.55Å; D225-R259 IonicContact OD1-NE 2.71Å; D225-R259 PolarHBondContact OD1-NE 3.26Å; D225-R259 IonicContact OD1-NH2 3.53Å; H228-R259 PolarHBondContact CE1-NH1 3.34Å; H228-R259 PolarHBondContact ND1-NH1 2.96Å; H228-R259 VanDerWaalsContact ND1-NH1 3.19Å; Y255-R259 VanDerWaalsContact O-CG 3.3Å; Y255-R259 WeakPolarHBondContact O-CG 3.34Å; Y255-R259 PolarHBondContact O-N 2.99Å; S256-R259 PolarHBondContact O-N 2.94Å; Q257-R259 VanDerWaalsContact C-N 3.34Å; Q257-R259 PolarHBondContact O-N 3.48Å; R259-A261 PolarHBondContact O-N 3.48Å; R259-G262 PolarHBondContact O-N 3.31Å
260A97.7Very high97.8Very high92 Ų9251.9 Ų51.976%0.7628%0.283SS*.Iπ-helixtrans-61-31.9177.300000112.4S256 Q257 G262S256-A260 WeakPolarHBondContact O-CB 3.45Å; S256-A260 PolarHBondContact O-N 3.05Å; Q257-A260 PolarHBondContact O-N 3.5Å; A260-G262 PolarHBondContact O-N 2.9Å
261A96.4Very high97.8Very high36 Ų3650.2 Ų50.230%0.29827%0.265SS..Iπ-helixtrans-76.41.5174.100000114.1Q257 A258 R259 Q274 M287Q257-A261 WeakPolarHBondContact O-CB 3.47Å; Q257-A261 PolarHBondContact O-N 3.18Å; A258-A261 PolarHBondContact O-N 2.96Å; R259-A261 PolarHBondContact O-N 3.48Å; A261-Q274 VanDerWaalsContact CB-OE1 3.24Å; A261-M287 WeakPolarHBondContact O-CE 3.38Å
262G96.8Very high97.8Very high58 Ų5849.1 Ų49.160%0.59826%0.255SS*.Iπ-helixtrans89.67.3178.300000115A258 R259 A260A258-G262 PolarHBondContact O-N 2.79Å; R259-G262 PolarHBondContact O-N 3.31Å; A260-G262 PolarHBondContact O-N 2.9Å
263R97.5Very high97.8Very high5 Ų544.4 Ų44.42%0.01924%0.238CC..Iπ-helixtrans-88.43.1-177.5-56.7-177.7171.9-84.84.5114.4I224 A258 R265 Q266 M287I224-R263 HydrophobicContact CD1-CB 3.93Å; A258-R263 HydrophobicContact CB-CB 4.45Å; A258-R263 VanDerWaalsContact O-CB 3.31Å; A258-R263 WeakPolarHBondContact O-CB 3.34Å; A258-R263 PolarHBondContact O-N 2.81Å; R263-R265 PolarHBondContact O-N 3.38Å; R263-Q266 HydrophobicContact CB-CG 4.47Å; R263-Q266 WeakPolarHBondContact O-CB 3.24Å; R263-Q266 PolarHBondContact O-N 2.93Å; R263-M287 HydrophobicContact CG-CG 4.24Å; R263-M287 HydrophobicContact CG-SD 3.91Å
264G97.7Very high97.8Very high6 Ų640.1 Ų40.16%0.06222%0.218CC..THydrogen-bonded Turntrans-52-35.9-171.500000115.2I224 D225I224-G264 PolarHBondContact N-O 2.87Å; D225-G264 PolarHBondContact N-O 2.66Å; D225-G264 VanDerWaalsContact OD2-C 3.31Å
265R98.1Very high97.7Very high206 Ų20641.4 Ų41.478%0.77723%0.225SC*.THydrogen-bonded Turntrans-89.2-3.5179.9-67.2-172.7168-174-3.7115.1M223 R263M223-R265 HydrophobicContact SD-CB 4.42Å; M223-R265 HydrophobicContact SD-CG 4.48Å; R263-R265 PolarHBondContact O-N 3.38Å
266Q98.2Very high97.7Very high20 Ų2042 Ų429%0.09323%0.227CC..SBendtrans-78.8160.6175.3-61.7-175.3-31.800110.3L218 M223 I224 R263 A270L218-Q266 HydrophobicContact CB-CB 4.32Å; L218-Q266 HydrophobicContact CB-CG 4.42Å; M223-Q266 WeakPolarHBondContact CA-O 3.41Å; I224-Q266 PolarHBondContact N-O 3.32Å; R263-Q266 HydrophobicContact CB-CG 4.47Å; R263-Q266 WeakPolarHBondContact O-CB 3.24Å; R263-Q266 PolarHBondContact O-N 2.93Å; Q266-A270 HydrophobicContact CB-CB 3.77Å
267D98.1Very high97.6Very high0 Ų043.8 Ų43.80%024%0.237CC..BIsolated β-bridgetrans-52.8141.6169.3-169.271.9000110.9L218 A221 F222 S269 A270L218-D267 PolarHBondContact O-N 3.37Å; A221-D267 PolarHBondContact N-OD1 3.22Å; F222-D267 PolarHBondContact N-OD1 2.85Å; F222-D267 CarbonylContact O-C 3.51Å; F222-D267 WeakPolarHBondContact O-CA 3.28Å; D267-S269 PolarHBondContact O-N 3.28Å; D267-S269 WeakPolarHBondContact OD2-CB 3.17Å; D267-S269 PolarHBondContact OD2-N 3.3Å; D267-S269 PolarHBondContact OD2-OG 3.01Å; D267-A270 WeakPolarHBondContact O-CB 3.44Å; D267-A270 PolarHBondContact O-N 3.45Å
268W97.5Very high97.5Very high61 Ų6143.3 Ų43.323%0.23124%0.243CC..G310 helixtrans-56.4-24.5179.471.7-39.8000113.8H204 F222 A227 Y255 A270 I271H204-W268 AromaticContact CE1-CH2 3.35Å; H204-W268 WeakPolarHBondContact CE1-CH2 3.34Å; H204-W268 AromaticContact CE1-CZ2 3.67Å; H204-W268 AromaticContact CE1-CZ3 3.75Å; F222-W268 HydrophobicContact CB-CG 4.46Å; F222-W268 HydrophobicContact CD1-CB 4.23Å; F222-W268 AromaticContact CD1-CD2 3.89Å; F222-W268 HydrophobicContact CD1-CD2 3.89Å; F222-W268 HydrophobicContact CD1-CE3 4.05Å; F222-W268 AromaticContact CD1-CG 3.98Å; F222-W268 HydrophobicContact CD1-CG 3.98Å; F222-W268 HydrophobicContact CE1-CE3 4.37Å; F222-W268 WeakPolarHBondContact O-CB 3.47Å; F222-W268 PolarHBondContact O-N 3.43Å; A227-W268 HydrophobicContact CB-CB 4.24Å; A227-W268 HydrophobicContact CB-CE3 4.46Å; Y255-W268 HydrophobicContact CE1-CB 4.48Å; W268-A270 PolarHBondContact O-N 2.83Å; W268-I271 VanDerWaalsContact O-CB 3.32Å; W268-I271 WeakPolarHBondContact O-CB 3.41Å; W268-I271 WeakPolarHBondContact O-CG2 3.3Å; W268-I271 PolarHBondContact O-N 3.32Å; W268-I271 VanDerWaalsContact O-N 3.15Å
269S97.7Very high97.4Very high1 Ų146.5 Ų46.51%0.00727%0.269CS..G310 helixtrans-64.9-19171.966.50000113.6K212 V213 D267 I271 L272K212-S269 VanDerWaalsContact CB-OG 3.24Å; K212-S269 WeakPolarHBondContact CB-OG 3.38Å; V213-S269 PolarHBondContact N-OG 3.42Å; D267-S269 PolarHBondContact O-N 3.28Å; D267-S269 WeakPolarHBondContact OD2-CB 3.17Å; D267-S269 PolarHBondContact OD2-N 3.3Å; D267-S269 PolarHBondContact OD2-OG 3.01Å; S269-I271 PolarHBondContact O-N 2.89Å; S269-L272 WeakPolarHBondContact O-CB 3.38Å; S269-L272 PolarHBondContact O-N 3.15Å
270A97.9Very high97.3Very high0 Ų045 Ų450%029%0.287CS..G310 helixtrans-62.1-10.1172.100000113.3L218 I224 Q266 D267 W268 L272 E273 Q274L218-A270 HydrophobicContact CD1-CB 4.28Å; L218-A270 HydrophobicContact CD2-CB 3.96Å; I224-A270 HydrophobicContact CD1-CB 4.08Å; Q266-A270 HydrophobicContact CB-CB 3.77Å; D267-A270 WeakPolarHBondContact O-CB 3.44Å; D267-A270 PolarHBondContact O-N 3.45Å; W268-A270 PolarHBondContact O-N 2.83Å; A270-L272 PolarHBondContact O-N 2.89Å; A270-E273 PolarHBondContact O-N 3.4Å; A270-Q274 PolarHBondContact O-N 3.43Å; A270-Q274 VanDerWaalsContact O-N 3.09Å
271I97.7Very high97.3Very high24 Ų2446.2 Ų46.212%0.12328%0.278CS..Hα-helixtrans-53.6-31167.6-155.763.9000111.8V254 Y255 A258 W268 S269 Q274 V275V254-I271 HydrophobicContact CB-CD1 4.49Å; V254-I271 HydrophobicContact CG1-CD1 3.71Å; V254-I271 HydrophobicContact CG1-CG1 3.9Å; Y255-I271 HydrophobicContact CD1-CD1 3.82Å; Y255-I271 HydrophobicContact CD1-CG1 4.49Å; Y255-I271 HydrophobicContact CE1-CB 4.44Å; Y255-I271 HydrophobicContact CE1-CD1 4.08Å; Y255-I271 HydrophobicContact CE1-CG1 4.28Å; Y255-I271 HydrophobicContact CG-CD1 4.26Å; A258-I271 HydrophobicContact CB-CD1 3.79Å; W268-I271 VanDerWaalsContact O-CB 3.32Å; W268-I271 WeakPolarHBondContact O-CB 3.41Å; W268-I271 WeakPolarHBondContact O-CG2 3.3Å; W268-I271 PolarHBondContact O-N 3.32Å; W268-I271 VanDerWaalsContact O-N 3.15Å; S269-I271 PolarHBondContact O-N 2.89Å; I271-Q274 WeakPolarHBondContact O-CB 3.48Å; I271-Q274 PolarHBondContact O-N 2.81Å; I271-V275 WeakPolarHBondContact O-CG2 3.47Å; I271-V275 PolarHBondContact O-N 3.32Å
272L97.7Very high97.2Very high26 Ų2650.5 Ų50.514%0.13630%0.301CS..Hα-helixtrans-61.4-44.4173.6171.560.7000112W209 V213 L214 S269 A270 Q274 V275 R276W209-L272 HydrophobicContact CE3-CD2 4.02Å; W209-L272 HydrophobicContact CH2-CB 4.05Å; W209-L272 HydrophobicContact CH2-CD1 3.86Å; W209-L272 HydrophobicContact CH2-CD2 4.12Å; W209-L272 HydrophobicContact CH2-CG 4.23Å; W209-L272 HydrophobicContact CZ2-CB 4.05Å; W209-L272 HydrophobicContact CZ3-CD1 4.06Å; W209-L272 HydrophobicContact CZ3-CD2 3.77Å; W209-L272 HydrophobicContact CZ3-CG 4.34Å; V213-L272 HydrophobicContact CB-CD2 4.49Å; V213-L272 HydrophobicContact CG1-CB 4.25Å; V213-L272 HydrophobicContact CG1-CD2 3.72Å; V213-L272 HydrophobicContact CG2-CB 4.04Å; V213-L272 HydrophobicContact CG2-CD2 3.95Å; V213-L272 HydrophobicContact CG2-CG 4.33Å; L214-L272 HydrophobicContact CD2-CD2 3.87Å; S269-L272 WeakPolarHBondContact O-CB 3.38Å; S269-L272 PolarHBondContact O-N 3.15Å; A270-L272 PolarHBondContact O-N 2.89Å; L272-Q274 VanDerWaalsContact C-N 3.3Å; L272-V275 PolarHBondContact O-N 3Å; L272-R276 WeakPolarHBondContact O-CG 3.33Å; L272-R276 PolarHBondContact O-N 3.02Å
273E97.7Very high97Very high1 Ų148.6 Ų48.61%0.00528%0.28CS..Hα-helixtrans-68.7-33.2177.4-60.2-58.8164.300111.5V213 A270 R276 V277 A283 K284 V285V213-E273 HydrophobicContact CG2-CG 3.9Å; A270-E273 PolarHBondContact O-N 3.4Å; E273-R276 PolarHBondContact O-N 3.16Å; E273-R276 IonicContact OE1-CZ 2.67Å; E273-R276 IonicContact OE1-NH1 2.58Å; E273-R276 PolarHBondContact OE1-NH1 3.04Å; E273-R276 WeakPolarHBondContact OE2-CD 3.3Å; E273-R276 IonicContact OE2-CZ 3.82Å; E273-R276 IonicContact OE2-NH1 2.63Å; E273-R276 PolarHBondContact OE2-NH1 3.11Å; E273-V277 WeakPolarHBondContact O-CG2 3.31Å; E273-V277 PolarHBondContact O-N 3.04Å; E273-A283 HydrophobicContact CB-CB 4.27Å; E273-A283 VanDerWaalsContact OE2-CA 3.26Å; E273-A283 WeakPolarHBondContact OE2-CA 3.29Å; E273-K284 PolarHBondContact OE2-N 3.38Å; E273-V285 HydrophobicContact CG-CB 4.28Å; E273-V285 WeakPolarHBondContact OE1-CG2 3.38Å; E273-V285 PolarHBondContact OE1-N 3.04Å
274Q97.4Very high96.8Very high13 Ų1356.2 Ų56.26%0.06131%0.313CS..Hα-helixtrans-63.2-48.5172.5-177.258.230.200111.5A258 A261 A270 I271 L272 R276 V277 S278A258-Q274 HydrophobicContact CB-CB 3.96Å; A258-Q274 HydrophobicContact CB-CG 3.77Å; A261-Q274 VanDerWaalsContact CB-OE1 3.24Å; A270-Q274 PolarHBondContact O-N 3.43Å; A270-Q274 VanDerWaalsContact O-N 3.09Å; I271-Q274 WeakPolarHBondContact O-CB 3.48Å; I271-Q274 PolarHBondContact O-N 2.81Å; L272-Q274 VanDerWaalsContact C-N 3.3Å; Q274-R276 VanDerWaalsContact C-N 3.26Å; Q274-R276 PolarHBondContact O-N 3.11Å; Q274-V277 PolarHBondContact O-N 2.86Å; Q274-V277 VanDerWaalsContact O-N 3.11Å; Q274-S278 PolarHBondContact O-N 2.79Å; Q274-S278 PolarHBondContact O-OG 3.37Å
275V97.3Very high96.4Very high75 Ų7557.3 Ų57.346%0.45532%0.318SS..Hα-helixtrans-62.4-34.7-179.5172.80000111.3V254 I271 L272 S278 A279V254-V275 HydrophobicContact CG1-CG2 3.99Å; I271-V275 WeakPolarHBondContact O-CG2 3.47Å; I271-V275 PolarHBondContact O-N 3.32Å; L272-V275 PolarHBondContact O-N 3Å; V275-S278 PolarHBondContact O-N 3.01Å; V275-A279 WeakPolarHBondContact O-CB 3.37Å; V275-A279 PolarHBondContact O-N 3.43Å
276R97.2Very high95.5Very high36 Ų3656 Ų5614%0.13632%0.318CS..Hα-helixtrans-59.5-49.2171.5-75.9177-174.4148.74.9112.1L272 E273 Q274 S278 A279 G280 M281L272-R276 WeakPolarHBondContact O-CG 3.33Å; L272-R276 PolarHBondContact O-N 3.02Å; E273-R276 PolarHBondContact O-N 3.16Å; E273-R276 IonicContact OE1-CZ 2.67Å; E273-R276 IonicContact OE1-NH1 2.58Å; E273-R276 PolarHBondContact OE1-NH1 3.04Å; E273-R276 WeakPolarHBondContact OE2-CD 3.3Å; E273-R276 IonicContact OE2-CZ 3.82Å; E273-R276 IonicContact OE2-NH1 2.63Å; E273-R276 PolarHBondContact OE2-NH1 3.11Å; Q274-R276 VanDerWaalsContact C-N 3.26Å; Q274-R276 PolarHBondContact O-N 3.11Å; R276-S278 VanDerWaalsContact C-N 3.34Å; R276-S278 PolarHBondContact O-N 2.89Å; R276-A279 CarbonylContact O-C 3.5Å; R276-A279 PolarHBondContact O-N 3.32Å; R276-A279 VanDerWaalsContact O-N 3.11Å; R276-G280 PolarHBondContact O-N 3.3Å; R276-M281 CarbonylContact C-O 3.46Å; R276-M281 HydrophobicContact CB-CB 4.15Å; R276-M281 WeakPolarHBondContact O-CA 3.41Å; R276-M281 WeakPolarHBondContact O-CB 3.34Å; R276-M281 PolarHBondContact O-N 3.03Å
277V96.1Very high94.5Very high72 Ų7262.6 Ų62.644%0.43635%0.351SS..Hα-helixtrans-61.8-44.1178.7173.80000110.7E273 Q274 A279 G280 A283E273-V277 WeakPolarHBondContact O-CG2 3.31Å; E273-V277 PolarHBondContact O-N 3.04Å; Q274-V277 PolarHBondContact O-N 2.86Å; Q274-V277 VanDerWaalsContact O-N 3.11Å; V277-A279 PolarHBondContact O-N 2.87Å; V277-G280 PolarHBondContact O-N 3.31Å; V277-A283 HydrophobicContact CG2-CB 4.02Å
278S95.7Very high94.3Very high71 Ų7165.8 Ų65.850%0.49737%0.369SS..Hα-helixtrans-60.9-29.7175.6-61.60000112.9Q274 V275 R276 G280Q274-S278 PolarHBondContact O-N 2.79Å; Q274-S278 PolarHBondContact O-OG 3.37Å; V275-S278 PolarHBondContact O-N 3.01Å; R276-S278 VanDerWaalsContact C-N 3.34Å; R276-S278 PolarHBondContact O-N 2.89Å; S278-G280 VanDerWaalsContact C-N 3.26Å; S278-G280 PolarHBondContact O-N 2.86Å
279A96.4Very high94.2Very high68 Ų6866 Ų6656%0.56238%0.376SS*.THydrogen-bonded Turntrans-82.86.5174.900000113.9V275 R276 V277 M281V275-A279 WeakPolarHBondContact O-CB 3.37Å; V275-A279 PolarHBondContact O-N 3.43Å; R276-A279 CarbonylContact O-C 3.5Å; R276-A279 PolarHBondContact O-N 3.32Å; R276-A279 VanDerWaalsContact O-N 3.11Å; V277-A279 PolarHBondContact O-N 2.87Å; A279-M281 HydrophobicContact CB-CG 4.2Å; A279-M281 HydrophobicContact CB-SD 4.38Å; A279-M281 PolarHBondContact O-N 3.04Å
280G96.9Very high94Very high75 Ų7569.6 Ų69.677%0.77340%0.396SS*.THydrogen-bonded Turntrans7312-175.900000114.1R276 V277 S278R276-G280 PolarHBondContact O-N 3.3Å; V277-G280 PolarHBondContact O-N 3.31Å; S278-G280 VanDerWaalsContact C-N 3.26Å; S278-G280 PolarHBondContact O-N 2.86Å
281M96.6Very high93.7Very high116 Ų11673.7 Ų73.757%0.57142%0.42SS*.PPolyproline II helixtrans-91.5153.1176.7-54.2176.573.400110.9R276 A279R276-M281 CarbonylContact C-O 3.46Å; R276-M281 HydrophobicContact CB-CB 4.15Å; R276-M281 WeakPolarHBondContact O-CA 3.41Å; R276-M281 WeakPolarHBondContact O-CB 3.34Å; R276-M281 PolarHBondContact O-N 3.03Å; A279-M281 HydrophobicContact CB-CG 4.2Å; A279-M281 HydrophobicContact CB-SD 4.38Å; A279-M281 PolarHBondContact O-N 3.04Å
282T94.3Very high93.5Very high126 Ų12676.8 Ų76.877%0.77344%0.438SS*.PPolyproline II helixtrans-72.1130.3172.9-47.60000110.6K284T282-K284 PolarHBondContact O-N 3.36Å
283A93.2Very high93.2Very high19 Ų1980.2 Ų80.216%0.15746%0.458CS..PPolyproline II helixtrans-59.9134.516900000110E273 V277E273-A283 HydrophobicContact CB-CB 4.27Å; E273-A283 VanDerWaalsContact OE2-CA 3.26Å; E273-A283 WeakPolarHBondContact OE2-CA 3.29Å; V277-A283 HydrophobicContact CG2-CB 4.02Å
284K93.6Very high92.9Very high165 Ų16585.9 Ų85.972%0.71749%0.491SS*.SBendtrans-80-29.7178.7-62.8-171.2-179.4-173.70111.5E273 T282E273-K284 PolarHBondContact OE2-N 3.38Å; T282-K284 PolarHBondContact O-N 3.36Å
285V90.3Very high92.6Very high29 Ų2991.5 Ų91.518%0.17652%0.524CS..SBendtrans-114.8119.5173-1650000108.6L218 E273L218-V285 HydrophobicContact CD1-CB 3.93Å; L218-V285 HydrophobicContact CD1-CG1 3.65Å; L218-V285 HydrophobicContact CD2-CB 4.38Å; L218-V285 HydrophobicContact CD2-CG1 4.34Å; L218-V285 HydrophobicContact CG-CB 4.17Å; L218-V285 HydrophobicContact CG-CG1 3.67Å; E273-V285 HydrophobicContact CG-CB 4.28Å; E273-V285 WeakPolarHBondContact OE1-CG2 3.38Å; E273-V285 PolarHBondContact OE1-N 3.04Å
286K79.2Confident92.2Very high177 Ų17792.8 Ų92.877%0.7753%0.53SS*.  trans-74.3161-178.5-67.1-173.3179.9-1790111.1
287M76.5Confident91.7Very high160 Ų16098 Ų9879%0.78857%0.565SS**  trans-67.40172.9-75.2-167.4-98.300112.4A261 R263A261-M287 WeakPolarHBondContact O-CE 3.38Å; R263-M287 HydrophobicContact CG-CG 4.24Å; R263-M287 HydrophobicContact CG-SD 3.91Å

Retrieved 287 of 287 residues in 276 ms (Link to these results)

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