A0A023IYG5_CAPHI Loading...

B cell translocation protein 3

AlphaFold DB (A0A6P7DPB9), UniProt , Accession A0A023IYG5, Species CAPHI (Capra hircus, Goat), Gene BTG3, Length 252 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
1M95.1Very high97.2Very high63 Ų6344.1 Ų44.131%0.3123%0.229SC..  0-54.80-163.5173.873.800114.3N3 E4 I5 W46M1-N3 PolarHBondContact O-N 2.94Å; M1-E4 WeakPolarHBondContact CA-OE2 3.27Å; M1-E4 PolarHBondContact N-OE1 3.14Å; M1-E4 VanDerWaalsContact N-OE1 3.08Å; M1-E4 PolarHBondContact N-OE2 3.5Å; M1-E4 PolarHBondContact O-N 3.47Å; M1-E4 VanDerWaalsContact O-OE2 3.12Å; M1-I5 HydrophobicContact CG-CD1 3.79Å; M1-I5 HydrophobicContact CG-CG1 4.38Å; M1-I5 WeakPolarHBondContact O-CG1 2.96Å; M1-I5 PolarHBondContact O-N 3.49Å; M1-I5 HydrophobicContact SD-CD1 4.38Å; M1-W46 HydrophobicContact CB-CD2 3.8Å; M1-W46 VanDerWaalsContact CB-CE2 3.5Å; M1-W46 HydrophobicContact CB-CE3 4.35Å; M1-W46 HydrophobicContact CB-CG 4.16Å; M1-W46 HydrophobicContact CB-CH2 4.4Å; M1-W46 HydrophobicContact CB-CZ2 3.82Å; M1-W46 HydrophobicContact CG-CD2 3.74Å; M1-W46 HydrophobicContact CG-CE3 3.83Å; M1-W46 HydrophobicContact CG-CG 4.28Å; M1-W46 HydrophobicContact CG-CH2 4.27Å; M1-W46 HydrophobicContact CG-CZ2 4.15Å; M1-W46 HydrophobicContact CG-CZ3 4.1Å; M1-W46 HydrophobicContact SD-CB 4.27Å; M1-W46 HydrophobicContact SD-CD2 4.07Å; M1-W46 HydrophobicContact SD-CE3 4.15Å; M1-W46 HydrophobicContact SD-CG 4.12Å
2K96.5Very high97.3Very high162 Ų16240.5 Ų40.570%0.70421%0.21SC*.Hα-helixtrans-62.5-41.2-173.5-69.1-177.5-179.6177.60112.8A6K2-A6 WeakPolarHBondContact O-CB 3.37Å; K2-A6 PolarHBondContact O-N 2.97Å
3N95.8Very high97.2Very high105 Ų10538.5 Ų38.556%0.56120%0.201SC*.Hα-helixtrans-68.6-38.8-177.9-65.3-15.7000111.5M1 A6 A7 F117M1-N3 PolarHBondContact O-N 2.94Å; N3-A6 WeakPolarHBondContact O-CB 3.14Å; N3-A6 PolarHBondContact O-N 3.14Å; N3-A7 PolarHBondContact O-N 2.85Å; N3-F117 HydrophobicContact CB-CD1 3.77Å; N3-F117 HydrophobicContact CB-CE1 3.57Å; N3-F117 HydrophobicContact CB-CG 4.4Å; N3-F117 HydrophobicContact CB-CZ 4.05Å; N3-F117 WeakPolarHBondContact O-CZ 3.34Å
4E97.6Very high97.1Very high14 Ų1440.9 Ų40.97%0.06521%0.206CC..Hα-helixtrans-66.4-45.7178.1-58.190142.900110.4M1 A6 A7 V8 W46 V96 C99 V101 F117M1-E4 WeakPolarHBondContact CA-OE2 3.27Å; M1-E4 PolarHBondContact N-OE1 3.14Å; M1-E4 VanDerWaalsContact N-OE1 3.08Å; M1-E4 PolarHBondContact N-OE2 3.5Å; M1-E4 PolarHBondContact O-N 3.47Å; M1-E4 VanDerWaalsContact O-OE2 3.12Å; E4-A6 VanDerWaalsContact C-N 3.33Å; E4-A6 PolarHBondContact O-N 2.93Å; E4-A7 PolarHBondContact O-N 3.23Å; E4-V8 VanDerWaalsContact O-CG2 3.32Å; E4-V8 WeakPolarHBondContact O-CG2 3.49Å; E4-V8 PolarHBondContact O-N 3.33Å; E4-W46 HydrophobicContact CB-CH2 3.97Å; E4-W46 HydrophobicContact CB-CZ2 4.42Å; E4-W46 HydrophobicContact CG-CH2 4.07Å; E4-W46 HydrophobicContact CG-CZ2 4.12Å; E4-W46 WeakPolarHBondContact OE1-CZ2 3.37Å; E4-V96 HydrophobicContact CB-CG1 4.05Å; E4-C99 PolarHBondContact OE1-N 3.43Å; E4-V101 HydrophobicContact CB-CG2 3.78Å; E4-V101 HydrophobicContact CG-CG2 4.33Å; E4-F117 HydrophobicContact CB-CE2 4.3Å; E4-F117 HydrophobicContact CG-CD2 3.77Å; E4-F117 HydrophobicContact CG-CE2 3.74Å
5I98.4Very high96.9Very high0 Ų038.5 Ų38.50%019%0.194CC..Hα-helixtrans-61.8-43172.8-67.8174.3000110.6M1 A7 V8 V9 T35 L38 Q39 Y42M1-I5 HydrophobicContact CG-CD1 3.79Å; M1-I5 HydrophobicContact CG-CG1 4.38Å; M1-I5 WeakPolarHBondContact O-CG1 2.96Å; M1-I5 PolarHBondContact O-N 3.49Å; M1-I5 HydrophobicContact SD-CD1 4.38Å; I5-A7 VanDerWaalsContact C-N 3.33Å; I5-A7 PolarHBondContact O-N 3.12Å; I5-V8 PolarHBondContact O-N 3.11Å; I5-V9 HydrophobicContact CG2-CG2 4.14Å; I5-V9 WeakPolarHBondContact O-CB 3.29Å; I5-V9 VanDerWaalsContact O-CG2 3.27Å; I5-V9 WeakPolarHBondContact O-CG2 3.4Å; I5-V9 PolarHBondContact O-N 3.45Å; I5-T35 HydrophobicContact CG2-CG2 4.09Å; I5-L38 HydrophobicContact CD1-CB 4.17Å; I5-L38 HydrophobicContact CG1-CB 4.3Å; I5-L38 HydrophobicContact CG2-CB 4.29Å; I5-L38 HydrophobicContact CG2-CD1 4.45Å; I5-Q39 HydrophobicContact CD1-CB 4.35Å; I5-Q39 HydrophobicContact CD1-CG 3.62Å; I5-Y42 HydrophobicContact CD1-CD2 4.04Å; I5-Y42 HydrophobicContact CD1-CE2 4.47Å; I5-Y42 HydrophobicContact CG1-CD2 4.18Å; I5-Y42 HydrophobicContact CG1-CE2 4.2Å
6A97.7Very high96.8Very high55 Ų5536.1 Ų36.146%0.45518%0.182SC..Hα-helixtrans-61-41.2177.800000112.1K2 N3 E4 V9 F10K2-A6 WeakPolarHBondContact O-CB 3.37Å; K2-A6 PolarHBondContact O-N 2.97Å; N3-A6 WeakPolarHBondContact O-CB 3.14Å; N3-A6 PolarHBondContact O-N 3.14Å; E4-A6 VanDerWaalsContact C-N 3.33Å; E4-A6 PolarHBondContact O-N 2.93Å; A6-V9 PolarHBondContact O-N 3.33Å; A6-F10 WeakPolarHBondContact O-CB 3.44Å; A6-F10 PolarHBondContact O-N 3.21Å
7A97.3Very high96.7Very high6 Ų641 Ų415%0.0520%0.198CC..Hα-helixtrans-63.6-41.5175.500000112.4N3 E4 I5 F10 F11 V101 A115 F117 V131N3-A7 PolarHBondContact O-N 2.85Å; E4-A7 PolarHBondContact O-N 3.23Å; I5-A7 VanDerWaalsContact C-N 3.33Å; I5-A7 PolarHBondContact O-N 3.12Å; A7-F10 PolarHBondContact O-N 2.73Å; A7-F11 WeakPolarHBondContact O-CB 3.32Å; A7-F11 PolarHBondContact O-N 3.23Å; A7-V101 HydrophobicContact CB-CG2 4.41Å; A7-A115 HydrophobicContact CB-CB 3.83Å; A7-F117 HydrophobicContact CB-CZ 3.91Å; A7-V131 HydrophobicContact CB-CG2 4.47Å
8V98.3Very high96.5Very high0 Ų043.8 Ų43.80%021%0.209CC..Hα-helixtrans-62.1-49.9174.9172.30000110.9E4 I5 F10 F11 F12 L38 I60 V96 V101E4-V8 VanDerWaalsContact O-CG2 3.32Å; E4-V8 WeakPolarHBondContact O-CG2 3.49Å; E4-V8 PolarHBondContact O-N 3.33Å; I5-V8 PolarHBondContact O-N 3.11Å; V8-F10 VanDerWaalsContact C-N 3.28Å; V8-F10 PolarHBondContact O-N 3.37Å; V8-F11 WeakPolarHBondContact O-CB 3.15Å; V8-F11 PolarHBondContact O-N 3.21Å; V8-F12 HydrophobicContact CG1-CD2 3.78Å; V8-F12 HydrophobicContact CG1-CE2 3.79Å; V8-F12 VanDerWaalsContact O-CD2 3.32Å; V8-F12 WeakPolarHBondContact O-CD2 3.27Å; V8-F12 PolarHBondContact O-N 3.45Å; V8-L38 HydrophobicContact CG1-CD1 4.05Å; V8-I60 HydrophobicContact CG1-CD1 3.81Å; V8-V96 HydrophobicContact CG2-CB 4.31Å; V8-V96 HydrophobicContact CG2-CG1 3.86Å; V8-V96 HydrophobicContact CG2-CG2 3.5Å; V8-V96 VanDerWaalsContact CG2-CG2 3.5Å; V8-V101 HydrophobicContact CG2-CG1 3.65Å; V8-V101 HydrophobicContact CG2-CG2 4.13Å
9V98.4Very high96.4Very high13 Ų1345.4 Ų45.48%0.07922%0.216CC..Hα-helixtrans-63-38.5-179.41710000111I5 A6 F12 T13 A31 L34 T35I5-V9 HydrophobicContact CG2-CG2 4.14Å; I5-V9 WeakPolarHBondContact O-CB 3.29Å; I5-V9 VanDerWaalsContact O-CG2 3.27Å; I5-V9 WeakPolarHBondContact O-CG2 3.4Å; I5-V9 PolarHBondContact O-N 3.45Å; A6-V9 PolarHBondContact O-N 3.33Å; V9-F12 PolarHBondContact O-N 3.27Å; V9-T13 VanDerWaalsContact O-CB 3.3Å; V9-T13 WeakPolarHBondContact O-CB 3.28Å; V9-T13 PolarHBondContact O-N 2.82Å; V9-T13 PolarHBondContact O-OG1 2.73Å; V9-A31 HydrophobicContact CG1-CB 3.56Å; V9-L34 HydrophobicContact CG2-CB 4.5Å; V9-L34 HydrophobicContact CG2-CD2 4.22Å; V9-L34 HydrophobicContact CG2-CG 4.26Å; V9-T35 WeakPolarHBondContact CG2-OG1 3.34Å
10F97.3Very high96.2Very high67 Ų6750.1 Ų50.129%0.29424%0.243SC..Hα-helixtrans-66.8-41.1175.4-176-126.8000112.4A6 A7 V8 T13 R14 V131A6-F10 WeakPolarHBondContact O-CB 3.44Å; A6-F10 PolarHBondContact O-N 3.21Å; A7-F10 PolarHBondContact O-N 2.73Å; V8-F10 VanDerWaalsContact C-N 3.28Å; V8-F10 PolarHBondContact O-N 3.37Å; F10-T13 PolarHBondContact O-N 3.12Å; F10-R14 HydrophobicContact CE2-CG 4.35Å; F10-R14 PolarHBondContact O-N 2.82Å; F10-V131 HydrophobicContact CD1-CB 3.99Å; F10-V131 HydrophobicContact CD1-CG1 3.65Å; F10-V131 HydrophobicContact CD1-CG2 4.25Å; F10-V131 HydrophobicContact CE1-CB 4.22Å; F10-V131 HydrophobicContact CE1-CG1 4.18Å
11F96.9Very high96.3Very high0 Ų054.4 Ų54.40%026%0.26CS..Hα-helixtrans-58.1-50.7173176.3-92.6000111.2A7 V8 R14 L15 L92 L94 V114 V131 A134 L135 V138A7-F11 WeakPolarHBondContact O-CB 3.32Å; A7-F11 PolarHBondContact O-N 3.23Å; V8-F11 WeakPolarHBondContact O-CB 3.15Å; V8-F11 PolarHBondContact O-N 3.21Å; F11-R14 PolarHBondContact O-N 3.07Å; F11-L15 HydrophobicContact CE1-CD1 4.26Å; F11-L15 HydrophobicContact CZ-CD1 4.3Å; F11-L15 WeakPolarHBondContact O-CB 3.43Å; F11-L15 PolarHBondContact O-N 3.31Å; F11-L92 HydrophobicContact CE1-CD1 4.43Å; F11-L92 HydrophobicContact CE1-CD2 4.39Å; F11-L92 HydrophobicContact CZ-CD1 4.48Å; F11-L94 HydrophobicContact CD1-CD1 4.09Å; F11-L94 HydrophobicContact CD1-CD2 4.45Å; F11-L94 HydrophobicContact CE1-CD1 4.17Å; F11-L94 HydrophobicContact CE1-CD2 4.36Å; F11-V114 HydrophobicContact CB-CG1 4.47Å; F11-V114 HydrophobicContact CD2-CG1 4.18Å; F11-V131 HydrophobicContact CB-CG1 3.94Å; F11-V131 HydrophobicContact CD2-CG1 4.29Å; F11-A134 HydrophobicContact CE2-CB 4.45Å; F11-L135 HydrophobicContact CE2-CB 4.3Å; F11-L135 HydrophobicContact CE2-CD1 4.33Å; F11-V138 HydrophobicContact CE2-CG2 4.28Å; F11-V138 HydrophobicContact CZ-CB 4.45Å; F11-V138 HydrophobicContact CZ-CG2 3.9Å
12F97.8Very high96.3Very high1 Ų153 Ų530%0.00425%0.253CS..Hα-helixtrans-61.5-46176.2-86.2-77.9000112.3V8 V9 R14 L15 V16 F30 L34 I60 V72 L88 L92 L94V8-F12 HydrophobicContact CG1-CD2 3.78Å; V8-F12 HydrophobicContact CG1-CE2 3.79Å; V8-F12 VanDerWaalsContact O-CD2 3.32Å; V8-F12 WeakPolarHBondContact O-CD2 3.27Å; V8-F12 PolarHBondContact O-N 3.45Å; V9-F12 PolarHBondContact O-N 3.27Å; F12-R14 VanDerWaalsContact C-N 3.27Å; F12-R14 PolarHBondContact O-N 2.77Å; F12-L15 PolarHBondContact O-N 2.84Å; F12-L15 VanDerWaalsContact O-N 3.1Å; F12-V16 WeakPolarHBondContact O-CB 3.5Å; F12-V16 VanDerWaalsContact O-CG2 3.25Å; F12-V16 WeakPolarHBondContact O-CG2 3.29Å; F12-V16 PolarHBondContact O-N 3.07Å; F12-F30 HydrophobicContact CB-CE1 4.18Å; F12-L34 HydrophobicContact CB-CD2 4.31Å; F12-L34 HydrophobicContact CD2-CD2 3.84Å; F12-L34 HydrophobicContact CE2-CD2 4.41Å; F12-L34 HydrophobicContact CG-CD2 4.12Å; F12-I60 HydrophobicContact CE2-CD1 4.2Å; F12-I60 HydrophobicContact CE2-CG2 4.38Å; F12-I60 HydrophobicContact CZ-CG2 3.95Å; F12-V72 HydrophobicContact CE1-CG2 4.26Å; F12-V72 HydrophobicContact CZ-CG2 3.99Å; F12-L88 HydrophobicContact CD1-CD2 3.85Å; F12-L88 HydrophobicContact CE1-CD1 4.11Å; F12-L88 HydrophobicContact CE1-CD2 3.67Å; F12-L92 HydrophobicContact CZ-CD2 4.49Å; F12-L94 HydrophobicContact CD2-CD1 4.33Å; F12-L94 HydrophobicContact CE2-CD1 3.46Å; F12-L94 VanDerWaalsContact CE2-CD1 3.46Å; F12-L94 HydrophobicContact CZ-CD1 3.79Å
13T96.8Very high96.4Very high15 Ų1553.1 Ų53.19%0.09225%0.254CS..Hα-helixtrans-55.5-44.1179.5-65.10000111.3V9 F10 R17 V27V9-T13 VanDerWaalsContact O-CB 3.3Å; V9-T13 WeakPolarHBondContact O-CB 3.28Å; V9-T13 PolarHBondContact O-N 2.82Å; V9-T13 PolarHBondContact O-OG1 2.73Å; F10-T13 PolarHBondContact O-N 3.12Å; T13-R17 WeakPolarHBondContact O-CB 3.32Å; T13-R17 VanDerWaalsContact O-CG 3.23Å; T13-R17 WeakPolarHBondContact O-CG 3Å; T13-R17 PolarHBondContact O-N 3.31Å; T13-V27 HydrophobicContact CG2-CG1 3.8Å
14R94.9Very high96.4Very high71 Ų7154 Ų5427%0.26825%0.253SS..Hα-helixtrans-70.4-38.8177.3-74.7-176.7148148.2-5.2112.9F10 F11 F12 R17 K18 S128 T132 L135F10-R14 HydrophobicContact CE2-CG 4.35Å; F10-R14 PolarHBondContact O-N 2.82Å; F11-R14 PolarHBondContact O-N 3.07Å; F12-R14 VanDerWaalsContact C-N 3.27Å; F12-R14 PolarHBondContact O-N 2.77Å; R14-R17 PolarHBondContact O-N 3.35Å; R14-K18 WeakPolarHBondContact O-CB 3.42Å; R14-K18 PolarHBondContact O-N 3.26Å; R14-S128 PolarHBondContact NH1-O 3.33Å; R14-T132 PolarHBondContact NH1-OG1 2.99Å; R14-T132 PolarHBondContact NH2-OG1 2.67Å; R14-T132 VanDerWaalsContact NH2-OG1 3.17Å; R14-L135 HydrophobicContact CB-CD2 3.38Å; R14-L135 HydrophobicContact CG-CD2 4.38Å
15L94.4Very high96.4Very high5 Ų558.8 Ų58.83%0.02628%0.275CS..Hα-helixtrans-61-46.6176.9-170.9134.9000111.4F11 F12 K18 H19 L88 P89 L135 V138 T139F11-L15 HydrophobicContact CE1-CD1 4.26Å; F11-L15 HydrophobicContact CZ-CD1 4.3Å; F11-L15 WeakPolarHBondContact O-CB 3.43Å; F11-L15 PolarHBondContact O-N 3.31Å; F12-L15 PolarHBondContact O-N 2.84Å; F12-L15 VanDerWaalsContact O-N 3.1Å; L15-K18 PolarHBondContact O-N 3.26Å; L15-H19 PolarHBondContact O-N 3.24Å; L15-L88 HydrophobicContact CD2-CD2 3.42Å; L15-L88 VanDerWaalsContact CD2-CD2 3.42Å; L15-P89 HydrophobicContact CD1-CG 4.38Å; L15-L135 HydrophobicContact CB-CD1 3.63Å; L15-L135 HydrophobicContact CD1-CD1 3.85Å; L15-L135 HydrophobicContact CG-CD1 4.07Å; L15-V138 HydrophobicContact CD1-CG1 3.91Å; L15-T139 HydrophobicContact CD1-CG2 4.39Å
16V96Very high96.4Very high1 Ų159.4 Ų59.41%0.00628%0.28CS..Hα-helixtrans-64-42.6176.9175.80000111.5F12 K18 H19 D20 L22 V27 L86F12-V16 WeakPolarHBondContact O-CB 3.5Å; F12-V16 VanDerWaalsContact O-CG2 3.25Å; F12-V16 WeakPolarHBondContact O-CG2 3.29Å; F12-V16 PolarHBondContact O-N 3.07Å; V16-K18 VanDerWaalsContact C-N 3.3Å; V16-K18 PolarHBondContact O-N 3.04Å; V16-H19 WeakPolarHBondContact O-CB 3.44Å; V16-H19 PolarHBondContact O-N 3.46Å; V16-D20 PolarHBondContact O-N 2.88Å; V16-L22 HydrophobicContact CG1-CB 4.42Å; V16-L22 HydrophobicContact CG1-CD1 3.71Å; V16-L22 HydrophobicContact CG1-CG 4.49Å; V16-V27 HydrophobicContact CG1-CG1 4.35Å; V16-V27 HydrophobicContact CG1-CG2 3.78Å; V16-L86 HydrophobicContact CG1-CD2 4.43Å; V16-L86 HydrophobicContact CG2-CB 4.14Å; V16-L86 HydrophobicContact CG2-CD2 3.74Å; V16-L86 HydrophobicContact CG2-CG 4.5Å
17R94.3Very high96.4Very high119 Ų11956.9 Ų56.945%0.44926%0.259SS..Hα-helixtrans-62.2-36.2175.8-77.4175.3179.7-179.11.7112.5T13 R14 H19 D20 V27T13-R17 WeakPolarHBondContact O-CB 3.32Å; T13-R17 VanDerWaalsContact O-CG 3.23Å; T13-R17 WeakPolarHBondContact O-CG 3Å; T13-R17 PolarHBondContact O-N 3.31Å; R14-R17 PolarHBondContact O-N 3.35Å; R17-H19 VanDerWaalsContact C-N 3.29Å; R17-H19 PolarHBondContact O-N 3.4Å; R17-D20 PolarHBondContact O-N 2.76Å; R17-V27 HydrophobicContact CG-CG1 4.38Å
18K93.3Very high96.5Very high92 Ų9260.4 Ų60.440%0.427%0.274SS..Hα-helixtrans-69.3-27.4176.8-171.5169.6178.4171.30112.6R14 L15 V16 D20 T139R14-K18 WeakPolarHBondContact O-CB 3.42Å; R14-K18 PolarHBondContact O-N 3.26Å; L15-K18 PolarHBondContact O-N 3.26Å; V16-K18 VanDerWaalsContact C-N 3.3Å; V16-K18 PolarHBondContact O-N 3.04Å; K18-D20 VanDerWaalsContact C-N 3.31Å; K18-T139 HydrophobicContact CD-CG2 4.05Å; K18-T139 PolarHBondContact NZ-OG1 3.48Å
19H94.1Very high96.5Very high73 Ų7365.3 Ų65.334%0.33829%0.293SS..Hα-helixtrans-74.5-21174.8-174-125.8000113.4L15 V16 R17 K21 D85 G87L15-H19 PolarHBondContact O-N 3.24Å; V16-H19 WeakPolarHBondContact O-CB 3.44Å; V16-H19 PolarHBondContact O-N 3.46Å; R17-H19 VanDerWaalsContact C-N 3.29Å; R17-H19 PolarHBondContact O-N 3.4Å; H19-K21 VanDerWaalsContact C-N 3.32Å; H19-K21 WeakPolarHBondContact CE1-CG 3.45Å; H19-K21 VanDerWaalsContact ND1-CG 3.34Å; H19-K21 WeakPolarHBondContact ND1-CG 3.49Å; H19-K21 PolarHBondContact O-N 2.77Å; H19-D85 PolarHBondContact ND1-O 3.25Å; H19-G87 WeakPolarHBondContact ND1-CA 3.38Å; H19-G87 PolarHBondContact ND1-N 3.12Å
20D93.9Very high96.5Very high140 Ų14064.8 Ų64.875%0.74929%0.29SS*.THydrogen-bonded Turntrans55.837.1170-160.337.4000115.3V16 R17 K18V16-D20 PolarHBondContact O-N 2.88Å; R17-D20 PolarHBondContact O-N 2.76Å; K18-D20 VanDerWaalsContact C-N 3.31Å
21K96.6Very high96.6Very high141 Ų14162.3 Ų62.361%0.61328%0.282SS*.  trans-103.2-17.5174-67-60.5-174.7-178.50114.5H19 D85H19-K21 VanDerWaalsContact C-N 3.32Å; H19-K21 WeakPolarHBondContact CE1-CG 3.45Å; H19-K21 VanDerWaalsContact ND1-CG 3.34Å; H19-K21 WeakPolarHBondContact ND1-CG 3.49Å; H19-K21 PolarHBondContact O-N 2.77Å; K21-D85 HydrophobicContact CB-CB 4.22Å
22L96.9Very high96.6Very high32 Ų3268 Ų6817%0.16831%0.308CS..SBendtrans-120.9138.9-170.1-64.2175.8000111.2V16 V27 I81 D85 L86V16-L22 HydrophobicContact CG1-CB 4.42Å; V16-L22 HydrophobicContact CG1-CD1 3.71Å; V16-L22 HydrophobicContact CG1-CG 4.49Å; L22-V27 HydrophobicContact CB-CG2 3.86Å; L22-I81 HydrophobicContact CD1-CD1 4Å; L22-I81 HydrophobicContact CD1-CG1 4.22Å; L22-I81 HydrophobicContact CD1-CG2 3.53Å; L22-I81 HydrophobicContact CD2-CG1 4.28Å; L22-I81 HydrophobicContact CD2-CG2 4.13Å; L22-I81 HydrophobicContact CG-CG2 4.5Å; L22-D85 HydrophobicContact CD1-CB 4.12Å; L22-D85 HydrophobicContact CD2-CB 3.76Å; L22-D85 HydrophobicContact CG-CB 3.94Å; L22-L86 HydrophobicContact CD1-CD2 4.26Å
23K97.1Very high96.7Very high166 Ų16671.5 Ų71.572%0.72232%0.324SS*.  trans-65.8152.6173.5-61.9-176.5179.4179.90111E25 A26 V27K23-E25 VanDerWaalsContact C-N 3.26Å; K23-E25 WeakPolarHBondContact CB-OE2 3.36Å; K23-E25 PolarHBondContact O-N 3Å; K23-A26 WeakPolarHBondContact O-CB 3.37Å; K23-A26 PolarHBondContact O-N 3.31Å; K23-V27 PolarHBondContact O-N 3.32Å; K23-V27 VanDerWaalsContact O-N 3.12Å
24K96.6Very high96.8Very high124 Ų12470.8 Ų70.854%0.53932%0.319SS..Hα-helixtrans-51.6-44.3-178.3-178.8-178.8167.3-172.70112.5A26 V27 E28K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 2.74Å; K24-V27 PolarHBondContact O-N 3.3Å; K24-E28 WeakPolarHBondContact CE-OE1 3.3Å; K24-E28 IonicContact NZ-OE1 3.95Å; K24-E28 WeakPolarHBondContact O-CG 3.47Å; K24-E28 PolarHBondContact O-N 3.07Å
25E97.8Very high97Very high114 Ų11469.2 Ų69.253%0.53332%0.318SS..Hα-helixtrans-66.8-32.3-178-54.873-154.600111.8K23 R29K23-E25 VanDerWaalsContact C-N 3.26Å; K23-E25 WeakPolarHBondContact CB-OE2 3.36Å; K23-E25 PolarHBondContact O-N 3Å; E25-R29 WeakPolarHBondContact O-CG 3.42Å; E25-R29 PolarHBondContact O-N 2.85Å; E25-R29 VanDerWaalsContact O-N 3.14Å; E25-R29 PolarHBondContact O-NE 3.32Å
26A98Very high97.2Very high12 Ų1273.9 Ų73.910%0.09934%0.342CS..Hα-helixtrans-70.6-41.917500000111.1K23 K24 E28 R29 F30 I81K23-A26 WeakPolarHBondContact O-CB 3.37Å; K23-A26 PolarHBondContact O-N 3.31Å; K24-A26 VanDerWaalsContact C-N 3.29Å; K24-A26 PolarHBondContact O-N 2.74Å; A26-E28 VanDerWaalsContact C-N 3.33Å; A26-E28 PolarHBondContact O-N 3.18Å; A26-R29 PolarHBondContact O-N 3.17Å; A26-F30 PolarHBondContact O-N 3.36Å; A26-I81 HydrophobicContact CB-CD1 4.01Å; A26-I81 HydrophobicContact CB-CG1 4.31Å; A26-I81 VanDerWaalsContact O-CD1 3.26Å; A26-I81 WeakPolarHBondContact O-CD1 3.47Å
27V98.2Very high97.3Very high2 Ų274.7 Ų74.71%0.01235%0.346CS..Hα-helixtrans-63.7-39.4176.5-176.20000111.4T13 V16 R17 L22 K23 K24 F30 A31T13-V27 HydrophobicContact CG2-CG1 3.8Å; V16-V27 HydrophobicContact CG1-CG1 4.35Å; V16-V27 HydrophobicContact CG1-CG2 3.78Å; R17-V27 HydrophobicContact CG-CG1 4.38Å; L22-V27 HydrophobicContact CB-CG2 3.86Å; K23-V27 PolarHBondContact O-N 3.32Å; K23-V27 VanDerWaalsContact O-N 3.12Å; K24-V27 PolarHBondContact O-N 3.3Å; V27-F30 PolarHBondContact O-N 2.85Å; V27-A31 WeakPolarHBondContact O-CB 3.47Å; V27-A31 PolarHBondContact O-N 2.83Å
28E98.3Very high97.5Very high80 Ų8069 Ų6937%0.37432%0.324SS..Hα-helixtrans-64.5-46.5176.5-74.1171.317700111.9K24 A26 F30 A31 E32K24-E28 WeakPolarHBondContact CE-OE1 3.3Å; K24-E28 IonicContact NZ-OE1 3.95Å; K24-E28 WeakPolarHBondContact O-CG 3.47Å; K24-E28 PolarHBondContact O-N 3.07Å; A26-E28 VanDerWaalsContact C-N 3.33Å; A26-E28 PolarHBondContact O-N 3.18Å; E28-F30 VanDerWaalsContact C-N 3.29Å; E28-F30 PolarHBondContact O-N 2.96Å; E28-A31 WeakPolarHBondContact O-CB 3.35Å; E28-A31 PolarHBondContact O-N 3.36Å; E28-A31 VanDerWaalsContact O-N 3.16Å; E28-E32 WeakPolarHBondContact O-CG 3.32Å; E28-E32 PolarHBondContact O-N 3.4Å
29R98.6Very high97.8Very high104 Ų10467.8 Ų67.839%0.39232%0.32SS..Hα-helixtrans-58.4-41.6173.4-72.4-176.4-62.91162.6111.9E25 A26 E32 K33 S79E25-R29 WeakPolarHBondContact O-CG 3.42Å; E25-R29 PolarHBondContact O-N 2.85Å; E25-R29 VanDerWaalsContact O-N 3.14Å; E25-R29 PolarHBondContact O-NE 3.32Å; A26-R29 PolarHBondContact O-N 3.17Å; R29-E32 PolarHBondContact O-N 3.4Å; R29-K33 WeakPolarHBondContact O-CG 3.24Å; R29-K33 PolarHBondContact O-N 2.88Å; R29-S79 VanDerWaalsContact C-OG 3.31Å; R29-S79 PolarHBondContact NH1-O 3.22Å; R29-S79 PolarHBondContact O-OG 3.25Å
30F98.7Very high98Very high1 Ų170.6 Ų70.60%0.00433%0.334CS..Hα-helixtrans-61.8-45.2175.5170.2-96.9000112.3F12 A26 V27 E28 E32 K33 L34 V72 A75 S79 I81 L86F12-F30 HydrophobicContact CB-CE1 4.18Å; A26-F30 PolarHBondContact O-N 3.36Å; V27-F30 PolarHBondContact O-N 2.85Å; E28-F30 VanDerWaalsContact C-N 3.29Å; E28-F30 PolarHBondContact O-N 2.96Å; F30-E32 VanDerWaalsContact C-N 3.32Å; F30-E32 PolarHBondContact O-N 3.32Å; F30-K33 PolarHBondContact O-N 2.81Å; F30-L34 HydrophobicContact CE1-CD2 4.08Å; F30-L34 HydrophobicContact CZ-CD2 4.04Å; F30-L34 WeakPolarHBondContact O-CB 3.33Å; F30-L34 PolarHBondContact O-N 2.79Å; F30-V72 HydrophobicContact CE2-CG1 4.21Å; F30-V72 HydrophobicContact CZ-CG1 4.05Å; F30-A75 HydrophobicContact CD2-CB 3.95Å; F30-A75 HydrophobicContact CE2-CB 3.68Å; F30-S79 VanDerWaalsContact CA-OG 3.22Å; F30-S79 WeakPolarHBondContact CA-OG 3.49Å; F30-S79 PolarHBondContact N-OG 3.29Å; F30-I81 HydrophobicContact CB-CD1 3.7Å; F30-I81 HydrophobicContact CG-CD1 4.47Å; F30-L86 HydrophobicContact CD2-CD2 4.27Å; F30-L86 HydrophobicContact CE1-CD2 4.38Å; F30-L86 HydrophobicContact CE2-CD1 4.09Å; F30-L86 HydrophobicContact CE2-CD2 4.02Å; F30-L86 HydrophobicContact CZ-CD1 4.03Å; F30-L86 HydrophobicContact CZ-CD2 4.08Å
31A98.6Very high98.2Very high15 Ų1565.6 Ų65.612%0.12431%0.305CS..Hα-helixtrans-59.2-42.8177.800000112V9 V27 E28 T35V9-A31 HydrophobicContact CG1-CB 3.56Å; V27-A31 WeakPolarHBondContact O-CB 3.47Å; V27-A31 PolarHBondContact O-N 2.83Å; E28-A31 WeakPolarHBondContact O-CB 3.35Å; E28-A31 PolarHBondContact O-N 3.36Å; E28-A31 VanDerWaalsContact O-N 3.16Å; A31-T35 WeakPolarHBondContact O-CB 3.46Å; A31-T35 PolarHBondContact O-N 3.38Å; A31-T35 PolarHBondContact O-OG1 2.96Å
32E98.6Very high98.3Very high119 Ų11958.9 Ų58.956%0.55628%0.276SS*.Hα-helixtrans-62.3-49.2175-70.4175-175.200112E28 R29 F30 L34 T35 L36E28-E32 WeakPolarHBondContact O-CG 3.32Å; E28-E32 PolarHBondContact O-N 3.4Å; R29-E32 PolarHBondContact O-N 3.4Å; F30-E32 VanDerWaalsContact C-N 3.32Å; F30-E32 PolarHBondContact O-N 3.32Å; E32-L34 PolarHBondContact O-N 3.24Å; E32-T35 WeakPolarHBondContact O-CB 3.47Å; E32-T35 PolarHBondContact O-N 3.35Å; E32-L36 WeakPolarHBondContact O-CG 3.42Å; E32-L36 PolarHBondContact O-N 3.41Å; E32-L36 VanDerWaalsContact O-N 3.15Å
33K98.8Very high98.3Very high76 Ų7663.7 Ų63.733%0.3330%0.296SS..Hα-helixtrans-64-42.5-179.4-64.8-50.7179.9-172.10112.1R29 F30 T35 L36 I37 A75 N78 S79R29-K33 WeakPolarHBondContact O-CG 3.24Å; R29-K33 PolarHBondContact O-N 2.88Å; F30-K33 PolarHBondContact O-N 2.81Å; K33-T35 VanDerWaalsContact C-N 3.33Å; K33-T35 PolarHBondContact O-N 3.25Å; K33-L36 PolarHBondContact O-N 3.21Å; K33-I37 WeakPolarHBondContact O-CD1 3.45Å; K33-I37 VanDerWaalsContact O-CG1 3.27Å; K33-I37 WeakPolarHBondContact O-CG1 3.49Å; K33-I37 PolarHBondContact O-N 3.48Å; K33-A75 HydrophobicContact CB-CB 4.38Å; K33-N78 HydrophobicContact CB-CB 4.12Å; K33-N78 HydrophobicContact CD-CB 3.99Å; K33-N78 WeakPolarHBondContact CE-O 3.16Å; K33-N78 HydrophobicContact CG-CB 3.75Å; K33-S79 VanDerWaalsContact CG-OG 3.23Å; K33-S79 WeakPolarHBondContact CG-OG 3.4Å
34L98.8Very high98.3Very high0 Ų061.7 Ų61.70%029%0.293CS..Hα-helixtrans-61.7-43176.5-175.361.9000111.1V9 F12 F30 E32 L36 I37 L38 V72 A75V9-L34 HydrophobicContact CG2-CB 4.5Å; V9-L34 HydrophobicContact CG2-CD2 4.22Å; V9-L34 HydrophobicContact CG2-CG 4.26Å; F12-L34 HydrophobicContact CB-CD2 4.31Å; F12-L34 HydrophobicContact CD2-CD2 3.84Å; F12-L34 HydrophobicContact CE2-CD2 4.41Å; F12-L34 HydrophobicContact CG-CD2 4.12Å; F30-L34 HydrophobicContact CE1-CD2 4.08Å; F30-L34 HydrophobicContact CZ-CD2 4.04Å; F30-L34 WeakPolarHBondContact O-CB 3.33Å; F30-L34 PolarHBondContact O-N 2.79Å; E32-L34 PolarHBondContact O-N 3.24Å; L34-L36 PolarHBondContact O-N 3.28Å; L34-I37 PolarHBondContact O-N 3.18Å; L34-L38 HydrophobicContact CD1-CD1 4.09Å; L34-L38 HydrophobicContact CD1-CD2 4.33Å; L34-L38 HydrophobicContact CD1-CG 4.02Å; L34-L38 HydrophobicContact CG-CD1 4.02Å; L34-L38 HydrophobicContact CG-CG 4.29Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 3Å; L34-V72 HydrophobicContact CD1-CG2 4.37Å; L34-A75 HydrophobicContact CB-CB 3.93Å; L34-A75 HydrophobicContact CD1-CB 4.08Å
35T98.8Very high98.3Very high38 Ų3858.8 Ų58.823%0.23328%0.281CS..Hα-helixtrans-55.5-50.1176.8-58.90000111.6I5 V9 A31 E32 K33 L38 Q39I5-T35 HydrophobicContact CG2-CG2 4.09Å; V9-T35 WeakPolarHBondContact CG2-OG1 3.34Å; A31-T35 WeakPolarHBondContact O-CB 3.46Å; A31-T35 PolarHBondContact O-N 3.38Å; A31-T35 PolarHBondContact O-OG1 2.96Å; E32-T35 WeakPolarHBondContact O-CB 3.47Å; E32-T35 PolarHBondContact O-N 3.35Å; K33-T35 VanDerWaalsContact C-N 3.33Å; K33-T35 PolarHBondContact O-N 3.25Å; T35-L38 PolarHBondContact O-N 3.36Å; T35-Q39 HydrophobicContact CG2-CG 4.46Å; T35-Q39 WeakPolarHBondContact O-CB 3.44Å; T35-Q39 VanDerWaalsContact O-CG 3.26Å; T35-Q39 WeakPolarHBondContact O-CG 3.3Å; T35-Q39 PolarHBondContact O-N 3.45Å
36L98.8Very high98.4Very high102 Ų10255.2 Ų55.253%0.53426%0.262SS..Hα-helixtrans-64.3-42.9-178.7-66.5173.8000112.2E32 K33 L34 Q39 E40E32-L36 WeakPolarHBondContact O-CG 3.42Å; E32-L36 PolarHBondContact O-N 3.41Å; E32-L36 VanDerWaalsContact O-N 3.15Å; K33-L36 PolarHBondContact O-N 3.21Å; L34-L36 PolarHBondContact O-N 3.28Å; L36-Q39 PolarHBondContact O-N 3.37Å; L36-E40 PolarHBondContact O-N 2.92Å
37I98.8Very high98.4Very high18 Ų1857.6 Ų57.69%0.09227%0.269CS..Hα-helixtrans-61.7-47.5179-70.9162.7000110.7K33 L34 E40 K41 D71 K74 A75K33-I37 WeakPolarHBondContact O-CD1 3.45Å; K33-I37 VanDerWaalsContact O-CG1 3.27Å; K33-I37 WeakPolarHBondContact O-CG1 3.49Å; K33-I37 PolarHBondContact O-N 3.48Å; L34-I37 PolarHBondContact O-N 3.18Å; I37-E40 PolarHBondContact O-N 3.05Å; I37-K41 VanDerWaalsContact O-CB 3.28Å; I37-K41 WeakPolarHBondContact O-CB 3.47Å; I37-K41 PolarHBondContact O-N 3.24Å; I37-D71 HydrophobicContact CG2-CB 3.85Å; I37-K74 HydrophobicContact CD1-CB 3.98Å; I37-K74 HydrophobicContact CD1-CD 4.13Å; I37-K74 HydrophobicContact CD1-CG 3.79Å; I37-K74 HydrophobicContact CG1-CD 4.3Å; I37-K74 HydrophobicContact CG1-CG 4.47Å; I37-A75 HydrophobicContact CD1-CB 3.83Å
38L98.8Very high98.3Very high0 Ų060.9 Ų60.90%029%0.291CS..Hα-helixtrans-67.8-39.5-179.4-63.1-176.4000112I5 V8 L34 T35 E40 K41 Y42 I60 D71I5-L38 HydrophobicContact CD1-CB 4.17Å; I5-L38 HydrophobicContact CG1-CB 4.3Å; I5-L38 HydrophobicContact CG2-CB 4.29Å; I5-L38 HydrophobicContact CG2-CD1 4.45Å; V8-L38 HydrophobicContact CG1-CD1 4.05Å; L34-L38 HydrophobicContact CD1-CD1 4.09Å; L34-L38 HydrophobicContact CD1-CD2 4.33Å; L34-L38 HydrophobicContact CD1-CG 4.02Å; L34-L38 HydrophobicContact CG-CD1 4.02Å; L34-L38 HydrophobicContact CG-CG 4.29Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 3Å; T35-L38 PolarHBondContact O-N 3.36Å; L38-E40 PolarHBondContact O-N 3.36Å; L38-K41 PolarHBondContact O-N 2.95Å; L38-Y42 HydrophobicContact CB-CE2 4.19Å; L38-Y42 HydrophobicContact CD2-CE1 4.34Å; L38-Y42 WeakPolarHBondContact O-CB 3.49Å; L38-Y42 PolarHBondContact O-N 2.94Å; L38-I60 HydrophobicContact CD1-CD1 3.96Å; L38-I60 HydrophobicContact CD2-CD1 4.03Å; L38-I60 HydrophobicContact CD2-CG1 4.46Å; L38-D71 HydrophobicContact CD2-CB 4.34Å
39Q98.6Very high98.2Very high67 Ų6765.2 Ų65.231%0.31331%0.311SS..Hα-helixtrans-59.1-47.2175.7-78.4178.2-5.900111.7I5 T35 L36 Y42 K43I5-Q39 HydrophobicContact CD1-CB 4.35Å; I5-Q39 HydrophobicContact CD1-CG 3.62Å; T35-Q39 HydrophobicContact CG2-CG 4.46Å; T35-Q39 WeakPolarHBondContact O-CB 3.44Å; T35-Q39 VanDerWaalsContact O-CG 3.26Å; T35-Q39 WeakPolarHBondContact O-CG 3.3Å; T35-Q39 PolarHBondContact O-N 3.45Å; L36-Q39 PolarHBondContact O-N 3.37Å; Q39-Y42 PolarHBondContact O-N 3.21Å; Q39-K43 PolarHBondContact O-N 3.47Å
40E98.6Very high98.1Very high132 Ų13266.3 Ų66.362%0.61732%0.319SS*.Hα-helixtrans-67.3-45.1179-174.957.9-157.600111.2L36 I37 L38 Y42 K43L36-E40 PolarHBondContact O-N 2.92Å; I37-E40 PolarHBondContact O-N 3.05Å; L38-E40 PolarHBondContact O-N 3.36Å; E40-Y42 VanDerWaalsContact C-N 3.27Å; E40-Y42 PolarHBondContact O-N 3.37Å; E40-K43 PolarHBondContact O-N 3.24Å
41K98.4Very high98Very high34 Ų3468.7 Ų68.715%0.14833%0.334CS..Hα-helixtrans-55.1-44.8177.7-176.3178.8172.8-169.70111.1I37 L38 Y57 D71I37-K41 VanDerWaalsContact O-CB 3.28Å; I37-K41 WeakPolarHBondContact O-CB 3.47Å; I37-K41 PolarHBondContact O-N 3.24Å; L38-K41 PolarHBondContact O-N 2.95Å; K41-Y57 WeakPolarHBondContact CE-O 3.39Å; K41-Y57 HydrophobicContact CG-CE1 3.66Å; K41-Y57 PolarHBondContact NZ-O 3.4Å; K41-Y57 WeakPolarHBondContact O-CE1 3.44Å; K41-Y57 PolarHBondContact O-OH 2.86Å; K41-Y57 VanDerWaalsContact O-OH 3.06Å; K41-D71 WeakPolarHBondContact CD-OD2 3.5Å; K41-D71 VanDerWaalsContact CE-OD2 3.26Å; K41-D71 WeakPolarHBondContact CE-OD2 3.47Å; K41-D71 IonicContact NZ-OD2 3.62Å; K41-D71 PolarHBondContact NZ-OD2 3.25Å
42Y98.5Very high97.9Very high0 Ų071.1 Ų71.10%035%0.35CS..Hα-helixtrans-86.3-14.1-170.3-61.5-6.1000114.6I5 L38 Q39 E40 N44 H45 W46 R58 V96I5-Y42 HydrophobicContact CD1-CD2 4.04Å; I5-Y42 HydrophobicContact CD1-CE2 4.47Å; I5-Y42 HydrophobicContact CG1-CD2 4.18Å; I5-Y42 HydrophobicContact CG1-CE2 4.2Å; L38-Y42 HydrophobicContact CB-CE2 4.19Å; L38-Y42 HydrophobicContact CD2-CE1 4.34Å; L38-Y42 WeakPolarHBondContact O-CB 3.49Å; L38-Y42 PolarHBondContact O-N 2.94Å; Q39-Y42 PolarHBondContact O-N 3.21Å; E40-Y42 VanDerWaalsContact C-N 3.27Å; E40-Y42 PolarHBondContact O-N 3.37Å; Y42-N44 VanDerWaalsContact C-N 3.27Å; Y42-N44 PolarHBondContact O-N 3.38Å; Y42-H45 CarbonylContact O-C 3.36Å; Y42-H45 WeakPolarHBondContact O-CA 3.43Å; Y42-H45 PolarHBondContact O-N 3.21Å; Y42-W46 HydrophobicContact CD2-CE3 4.09Å; Y42-W46 AromaticContact CD2-CZ3 3.9Å; Y42-W46 HydrophobicContact CD2-CZ3 3.9Å; Y42-W46 HydrophobicContact CE2-CZ3 4.42Å; Y42-W46 HydrophobicContact CG-CE3 4.43Å; Y42-W46 PolarHBondContact O-N 2.94Å; Y42-R58 HydrophobicContact CD1-CB 4.01Å; Y42-R58 HydrophobicContact CD1-CG 3.57Å; Y42-R58 HydrophobicContact CD2-CG 4.48Å; Y42-R58 HydrophobicContact CE1-CB 3.62Å; Y42-R58 HydrophobicContact CE1-CG 3.75Å; Y42-R58 HydrophobicContact CE2-CB 4.41Å; Y42-R58 HydrophobicContact CG-CG 4Å; Y42-R58 PolarHBondContact OH-O 3.02Å; Y42-V96 HydrophobicContact CE2-CB 3.93Å; Y42-V96 HydrophobicContact CE2-CG1 3.77Å
43K96.3Very high97.9Very high134 Ų13470.3 Ų70.358%0.58335%0.345SS*.THydrogen-bonded Turntrans-45.7-42.1-171.6-173.2176.6179.3179.30115.4Q39 E40Q39-K43 PolarHBondContact O-N 3.47Å; E40-K43 PolarHBondContact O-N 3.24Å
44N97.1Very high97.9Very high124 Ų12467.9 Ų67.966%0.66334%0.342SS*.THydrogen-bonded Turntrans-107.57.6-179.5-63-31.3000113.8Y42 Y47Y42-N44 VanDerWaalsContact C-N 3.27Å; Y42-N44 PolarHBondContact O-N 3.38Å; N44-Y47 PolarHBondContact O-OH 3Å
45H98.3Very high97.8Very high63 Ų6371.9 Ų71.929%0.29236%0.36SS..SBendtrans-126.930.7-176.2-60.594000110.7Y42 Y57 R58Y42-H45 CarbonylContact O-C 3.36Å; Y42-H45 WeakPolarHBondContact O-CA 3.43Å; Y42-H45 PolarHBondContact O-N 3.21Å; H45-Y57 HydrophobicContact CB-CD1 3.65Å; H45-Y57 HydrophobicContact CB-CE1 3.74Å; H45-Y57 AromaticContact CD2-CD1 3.97Å; H45-Y57 AromaticContact CE1-CE1 3.84Å; H45-Y57 AromaticContact CE1-CZ 3.63Å; H45-Y57 AromaticContact CG-CD1 3.57Å; H45-Y57 AromaticContact CG-CE1 3.43Å; H45-Y57 VanDerWaalsContact CG-CE1 3.43Å; H45-Y57 AromaticContact ND1-CD1 3.92Å; H45-Y57 AromaticContact ND1-CE1 3.27Å; H45-Y57 VanDerWaalsContact ND1-CE1 3.27Å; H45-Y57 WeakPolarHBondContact ND1-CE1 3.33Å; H45-Y57 AromaticContact ND1-CZ 3.51Å; H45-R58 WeakPolarHBondContact O-CD 3.38Å; H45-R58 PolarHBondContact O-NH1 2.87Å
46W98.4Very high97.8Very high38 Ų3874.1 Ų74.114%0.14438%0.383CS..  trans-118.5119.3178.2-163.1-94.1000109.5M1 E4 Y42 R58 V96 D97 P98M1-W46 HydrophobicContact CB-CD2 3.8Å; M1-W46 VanDerWaalsContact CB-CE2 3.5Å; M1-W46 HydrophobicContact CB-CE3 4.35Å; M1-W46 HydrophobicContact CB-CG 4.16Å; M1-W46 HydrophobicContact CB-CH2 4.4Å; M1-W46 HydrophobicContact CB-CZ2 3.82Å; M1-W46 HydrophobicContact CG-CD2 3.74Å; M1-W46 HydrophobicContact CG-CE3 3.83Å; M1-W46 HydrophobicContact CG-CG 4.28Å; M1-W46 HydrophobicContact CG-CH2 4.27Å; M1-W46 HydrophobicContact CG-CZ2 4.15Å; M1-W46 HydrophobicContact CG-CZ3 4.1Å; M1-W46 HydrophobicContact SD-CB 4.27Å; M1-W46 HydrophobicContact SD-CD2 4.07Å; M1-W46 HydrophobicContact SD-CE3 4.15Å; M1-W46 HydrophobicContact SD-CG 4.12Å; E4-W46 HydrophobicContact CB-CH2 3.97Å; E4-W46 HydrophobicContact CB-CZ2 4.42Å; E4-W46 HydrophobicContact CG-CH2 4.07Å; E4-W46 HydrophobicContact CG-CZ2 4.12Å; E4-W46 WeakPolarHBondContact OE1-CZ2 3.37Å; Y42-W46 HydrophobicContact CD2-CE3 4.09Å; Y42-W46 AromaticContact CD2-CZ3 3.9Å; Y42-W46 HydrophobicContact CD2-CZ3 3.9Å; Y42-W46 HydrophobicContact CE2-CZ3 4.42Å; Y42-W46 HydrophobicContact CG-CE3 4.43Å; Y42-W46 PolarHBondContact O-N 2.94Å; W46-R58 VanDerWaalsContact CE3-CD 3.45Å; W46-V96 HydrophobicContact CH2-CG1 4.42Å; W46-V96 HydrophobicContact CZ3-CG1 4.41Å; W46-V96 WeakPolarHBondContact CZ3-O 3.48Å; W46-D97 VanDerWaalsContact CH2-C 3.41Å; W46-D97 WeakPolarHBondContact CH2-O 3.47Å; W46-P98 HydrophobicContact CD2-CG 4.08Å; W46-P98 HydrophobicContact CG-CG 4.45Å; W46-P98 HydrophobicContact CH2-CG 4.46Å; W46-P98 VanDerWaalsContact CZ2-CA 3.4Å; W46-P98 HydrophobicContact CZ2-CB 4.03Å; W46-P98 HydrophobicContact CZ2-CG 3.84Å
47Y97.8Very high97.8Very high63 Ų6374 Ų7425%0.24738%0.376CS..  trans-132.387.9-173.5-50.1-81.1000110.1N44 E49 K50 K53N44-Y47 PolarHBondContact O-OH 3Å; Y47-E49 PolarHBondContact O-N 3.11Å; Y47-K50 CarbonylContact O-C 3.02Å; Y47-K50 PolarHBondContact O-N 2.88Å; Y47-K53 HydrophobicContact CD1-CD 3.98Å; Y47-K53 HydrophobicContact CD2-CB 3.69Å; Y47-K53 HydrophobicContact CD2-CD 3.65Å; Y47-K53 HydrophobicContact CD2-CG 3.59Å; Y47-K53 VanDerWaalsContact CD2-O 3.31Å; Y47-K53 WeakPolarHBondContact CD2-O 3.27Å; Y47-K53 HydrophobicContact CE1-CD 4.11Å; Y47-K53 HydrophobicContact CE2-CB 4.26Å; Y47-K53 HydrophobicContact CE2-CD 3.75Å; Y47-K53 HydrophobicContact CE2-CG 3.67Å; Y47-K53 HydrophobicContact CG-CB 4.2Å; Y47-K53 HydrophobicContact CG-CD 3.75Å; Y47-K53 HydrophobicContact CG-CG 4.17Å
48P96.1Very high97.8Very high71 Ų7173.1 Ų73.146%0.46137%0.371SS..THydrogen-bonded Turntrans-54.4-36.7-177.9-26.736.2000114.1K50 P51P48-K50 VanDerWaalsContact C-N 3.27Å; P48-K50 PolarHBondContact O-N 3.42Å; P48-P51 WeakPolarHBondContact O-CD 3.42Å
49E96.6Very high97.8Very high171 Ų17174.1 Ų74.180%0.79938%0.378SS*.THydrogen-bonded Turntrans-75.7-18.9-178.5-52.174.1-162.200112.2Y47Y47-E49 PolarHBondContact O-N 3.11Å
50K97.3Very high97.8Very high127 Ų12771 Ų7155%0.55236%0.364SS*.SBendtrans-140.474.9176.8-167173.3-179.7170.20110Y47 P48 S52 K53Y47-K50 CarbonylContact O-C 3.02Å; Y47-K50 PolarHBondContact O-N 2.88Å; P48-K50 VanDerWaalsContact C-N 3.27Å; P48-K50 PolarHBondContact O-N 3.42Å; K50-S52 VanDerWaalsContact C-N 3.25Å; K50-S52 PolarHBondContact O-N 2.95Å; K50-S52 VanDerWaalsContact O-N 3.12Å; K50-K53 HydrophobicContact CB-CB 4.2Å; K50-K53 HydrophobicContact CD-CB 4.08Å; K50-K53 HydrophobicContact CG-CB 3.95Å; K50-K53 VanDerWaalsContact O-CB 3.26Å; K50-K53 WeakPolarHBondContact O-CB 3.4Å; K50-K53 PolarHBondContact O-N 2.84Å
51P97.2Very high97.7Very high50 Ų5069.1 Ų69.133%0.32535%0.351SS..THydrogen-bonded Turntrans-54.4-38.7-170.9-28.735.7000114P48 K53 R58 P98P48-P51 WeakPolarHBondContact O-CD 3.42Å; P51-K53 PolarHBondContact O-N 3.43Å; P51-R58 PolarHBondContact O-NH2 3.41Å; P51-P98 HydrophobicContact CB-CB 4.13Å; P51-P98 HydrophobicContact CB-CG 4.13Å; P51-P98 HydrophobicContact CG-CB 4.18Å
52S96.6Very high97.7Very high66 Ų6667.8 Ų67.846%0.46235%0.346SS..THydrogen-bonded Turntrans-67.7-18.7179.161.20000114.5K50 G54 Q55K50-S52 VanDerWaalsContact C-N 3.25Å; K50-S52 PolarHBondContact O-N 2.95Å; K50-S52 VanDerWaalsContact O-N 3.12Å; S52-G54 PolarHBondContact O-N 2.94Å; S52-Q55 WeakPolarHBondContact O-CB 3.37Å; S52-Q55 WeakPolarHBondContact O-CG 3.37Å; S52-Q55 PolarHBondContact O-N 2.86Å
53K98.2Very high97.5Very high102 Ų10268.2 Ų68.244%0.44335%0.348SS..THydrogen-bonded Turntrans-66.2123.7176.1-173.7-178.3172.5-1700108.6Y47 K50 P51 Q55 R58Y47-K53 HydrophobicContact CD1-CD 3.98Å; Y47-K53 HydrophobicContact CD2-CB 3.69Å; Y47-K53 HydrophobicContact CD2-CD 3.65Å; Y47-K53 HydrophobicContact CD2-CG 3.59Å; Y47-K53 VanDerWaalsContact CD2-O 3.31Å; Y47-K53 WeakPolarHBondContact CD2-O 3.27Å; Y47-K53 HydrophobicContact CE1-CD 4.11Å; Y47-K53 HydrophobicContact CE2-CB 4.26Å; Y47-K53 HydrophobicContact CE2-CD 3.75Å; Y47-K53 HydrophobicContact CE2-CG 3.67Å; Y47-K53 HydrophobicContact CG-CB 4.2Å; Y47-K53 HydrophobicContact CG-CD 3.75Å; Y47-K53 HydrophobicContact CG-CG 4.17Å; K50-K53 HydrophobicContact CB-CB 4.2Å; K50-K53 HydrophobicContact CD-CB 4.08Å; K50-K53 HydrophobicContact CG-CB 3.95Å; K50-K53 VanDerWaalsContact O-CB 3.26Å; K50-K53 WeakPolarHBondContact O-CB 3.4Å; K50-K53 PolarHBondContact O-N 2.84Å; P51-K53 PolarHBondContact O-N 3.43Å; K53-Q55 VanDerWaalsContact C-N 3.3Å; K53-Q55 PolarHBondContact O-N 2.87Å; K53-R58 PolarHBondContact O-NH1 2.99Å
54G97.9Very high97.3Very high26 Ų2667.6 Ų67.627%0.26835%0.345SS..THydrogen-bonded Turntrans78.15.3-178.500000115.2S52 A56 Y57 R58S52-G54 PolarHBondContact O-N 2.94Å; G54-A56 VanDerWaalsContact C-N 3.29Å; G54-A56 PolarHBondContact O-N 3.23Å; G54-Y57 WeakPolarHBondContact O-CB 3.34Å; G54-Y57 PolarHBondContact O-N 2.78Å; G54-R58 PolarHBondContact O-N 3.47Å
55Q97.9Very high97.2Very high83 Ų8370.6 Ų70.639%0.38835%0.352SS..Hα-helixtrans-54.4-42.2-178.872-1742.500113.1S52 K53 Y57 R58 C59S52-Q55 WeakPolarHBondContact O-CB 3.37Å; S52-Q55 WeakPolarHBondContact O-CG 3.37Å; S52-Q55 PolarHBondContact O-N 2.86Å; K53-Q55 VanDerWaalsContact C-N 3.3Å; K53-Q55 PolarHBondContact O-N 2.87Å; Q55-Y57 VanDerWaalsContact C-N 3.28Å; Q55-Y57 PolarHBondContact O-N 3.1Å; Q55-R58 CarbonylContact O-C 3.42Å; Q55-R58 PolarHBondContact O-N 3.29Å; Q55-C59 PolarHBondContact O-N 3.03Å
56A97.8Very high96.9Very high85 Ų8571.6 Ų71.670%0.70236%0.357SS*.Hα-helixtrans-68-32.2-178.200000111.8G54 C59G54-A56 VanDerWaalsContact C-N 3.29Å; G54-A56 PolarHBondContact O-N 3.23Å; A56-C59 WeakPolarHBondContact O-CB 3.32Å
57Y98.6Very high96.8Very high100 Ų10075.5 Ų75.539%0.39237%0.372SS..Hα-helixtrans-70.8-39.6175172.2-89.2000111.2K41 H45 G54 Q55 C59K41-Y57 WeakPolarHBondContact CE-O 3.39Å; K41-Y57 HydrophobicContact CG-CE1 3.66Å; K41-Y57 PolarHBondContact NZ-O 3.4Å; K41-Y57 WeakPolarHBondContact O-CE1 3.44Å; K41-Y57 PolarHBondContact O-OH 2.86Å; K41-Y57 VanDerWaalsContact O-OH 3.06Å; H45-Y57 HydrophobicContact CB-CD1 3.65Å; H45-Y57 HydrophobicContact CB-CE1 3.74Å; H45-Y57 AromaticContact CD2-CD1 3.97Å; H45-Y57 AromaticContact CE1-CE1 3.84Å; H45-Y57 AromaticContact CE1-CZ 3.63Å; H45-Y57 AromaticContact CG-CD1 3.57Å; H45-Y57 AromaticContact CG-CE1 3.43Å; H45-Y57 VanDerWaalsContact CG-CE1 3.43Å; H45-Y57 AromaticContact ND1-CD1 3.92Å; H45-Y57 AromaticContact ND1-CE1 3.27Å; H45-Y57 VanDerWaalsContact ND1-CE1 3.27Å; H45-Y57 WeakPolarHBondContact ND1-CE1 3.33Å; H45-Y57 AromaticContact ND1-CZ 3.51Å; G54-Y57 WeakPolarHBondContact O-CB 3.34Å; G54-Y57 PolarHBondContact O-N 2.78Å; Q55-Y57 VanDerWaalsContact C-N 3.28Å; Q55-Y57 PolarHBondContact O-N 3.1Å; Y57-C59 VanDerWaalsContact C-N 3.33Å
58R98.7Very high96.7Very high0 Ų075.3 Ų75.30%038%0.377CS..Hα-helixtrans-78.7-15.3177.5-60-167.5-59.3-85.9-5.4114Y42 H45 W46 P51 K53 G54 Q55 I60 V96 D97Y42-R58 HydrophobicContact CD1-CB 4.01Å; Y42-R58 HydrophobicContact CD1-CG 3.57Å; Y42-R58 HydrophobicContact CD2-CG 4.48Å; Y42-R58 HydrophobicContact CE1-CB 3.62Å; Y42-R58 HydrophobicContact CE1-CG 3.75Å; Y42-R58 HydrophobicContact CE2-CB 4.41Å; Y42-R58 HydrophobicContact CG-CG 4Å; Y42-R58 PolarHBondContact OH-O 3.02Å; H45-R58 WeakPolarHBondContact O-CD 3.38Å; H45-R58 PolarHBondContact O-NH1 2.87Å; W46-R58 VanDerWaalsContact CE3-CD 3.45Å; P51-R58 PolarHBondContact O-NH2 3.41Å; K53-R58 PolarHBondContact O-NH1 2.99Å; G54-R58 PolarHBondContact O-N 3.47Å; Q55-R58 CarbonylContact O-C 3.42Å; Q55-R58 PolarHBondContact O-N 3.29Å; R58-I60 PolarHBondContact O-N 3.38Å; R58-V96 WeakPolarHBondContact CD-O 3.38Å; R58-V96 PolarHBondContact NE-O 3.39Å; R58-D97 IonicContact CZ-OD1 3.12Å; R58-D97 IonicContact NE-OD1 2.92Å; R58-D97 IonicContact NH2-OD1 2.71Å; R58-D97 PolarHBondContact NH2-OD1 3.26Å
59C98.4Very high96.9Very high20 Ų2072.1 Ų72.114%0.13536%0.356CS..  trans-56.2135.4179.7-172.50000111.3Q55 A56 Y57 T93 L94Q55-C59 PolarHBondContact O-N 3.03Å; A56-C59 WeakPolarHBondContact O-CB 3.32Å; Y57-C59 VanDerWaalsContact C-N 3.33Å; C59-T93 VanDerWaalsContact SG-CG2 3.53Å; C59-L94 WeakPolarHBondContact CA-O 3.49Å
60I98.6Very high96.9Very high3 Ų367.5 Ų67.52%0.01534%0.341CS..EExtended strand (participates in β ladder)trans-103.9123.1167.9-60.1168.2000106.5V8 F12 L38 R58 D69 V72 L94 V96V8-I60 HydrophobicContact CG1-CD1 3.81Å; F12-I60 HydrophobicContact CE2-CD1 4.2Å; F12-I60 HydrophobicContact CE2-CG2 4.38Å; F12-I60 HydrophobicContact CZ-CG2 3.95Å; L38-I60 HydrophobicContact CD1-CD1 3.96Å; L38-I60 HydrophobicContact CD2-CD1 4.03Å; L38-I60 HydrophobicContact CD2-CG1 4.46Å; R58-I60 PolarHBondContact O-N 3.38Å; I60-D69 WeakPolarHBondContact CA-OD2 3.46Å; I60-D69 HydrophobicContact CG2-CB 4.16Å; I60-V72 HydrophobicContact CG2-CG2 3.79Å; I60-L94 HydrophobicContact CB-CB 4.25Å; I60-L94 PolarHBondContact N-O 2.72Å; I60-L94 PolarHBondContact O-N 3.4Å; I60-V96 HydrophobicContact CD1-CG2 4.36Å
61R98.1Very high97Very high91 Ų9162.7 Ų62.734%0.34332%0.321SS..EExtended strand (participates in β ladder)trans-141130.7-171.2-172.3176.4178.8-175.70.5113.2N63 D69 L92 T93 E107R61-N63 PolarHBondContact NH2-ND2 3.42Å; R61-D69 PolarHBondContact N-OD2 3.42Å; R61-L92 WeakPolarHBondContact CA-O 3.48Å; R61-T93 HydrophobicContact CG-CG2 4.44Å; R61-E107 IonicContact CZ-OE1 3.52Å; R61-E107 IonicContact NH2-OE1 2.66Å; R61-E107 PolarHBondContact NH2-OE1 2.97Å
62V96.7Very high97.1Very high7 Ų760.3 Ų60.34%0.04231%0.306CS..EExtended strand (participates in β ladder)trans-123.4129.7167.1178.30000108Q66 R67 D69 Y83 L88 E91 L92V62-Q66 CarbonylContact C-O 3.53Å; V62-Q66 WeakPolarHBondContact CA-O 3.34Å; V62-R67 WeakPolarHBondContact CG1-O 3.38Å; V62-D69 HydrophobicContact CG2-CB 4.19Å; V62-Y83 VanDerWaalsContact CG2-OH 3.3Å; V62-Y83 WeakPolarHBondContact CG2-OH 3.44Å; V62-L88 HydrophobicContact CG2-CD1 4.21Å; V62-E91 CarbonylContact O-C 3.39Å; V62-E91 VanDerWaalsContact O-CA 3.32Å; V62-E91 WeakPolarHBondContact O-CA 3.22Å; V62-L92 PolarHBondContact N-O 3Å; V62-L92 PolarHBondContact O-N 2.88Å
63N95.4Very high97.1Very high9 Ų959.9 Ų59.95%0.04830%0.298CS..  trans-150.1-169.2173.275-2.7000111.6R61 F65 Q66 R67 K90 E91 E107R61-N63 PolarHBondContact NH2-ND2 3.42Å; N63-F65 VanDerWaalsContact C-N 3.28Å; N63-F65 PolarHBondContact O-N 3.23Å; N63-F65 PolarHBondContact OD1-N 2.9Å; N63-Q66 PolarHBondContact N-O 3.05Å; N63-Q66 CarbonylContact O-C 3.59Å; N63-Q66 VanDerWaalsContact O-C 3.29Å; N63-Q66 WeakPolarHBondContact OD1-CA 3.36Å; N63-Q66 WeakPolarHBondContact OD1-CB 3.46Å; N63-Q66 PolarHBondContact OD1-N 2.85Å; N63-R67 VanDerWaalsContact O-CD 3.28Å; N63-R67 WeakPolarHBondContact O-CD 3.32Å; N63-R67 PolarHBondContact O-N 2.77Å; N63-K90 CarbonylContact C-O 3.57Å; N63-K90 WeakPolarHBondContact CA-O 3.37Å; N63-E91 HydrophobicContact CB-CG 4.5Å; N63-E107 VanDerWaalsContact CB-OE1 3.29Å; N63-E107 WeakPolarHBondContact CB-OE1 3.39Å; N63-E107 PolarHBondContact ND2-OE1 3.35Å
64K92.4Very high97.2Very high121 Ų12160.1 Ų60.153%0.52630%0.299SS..SBendtrans-61.1-32.9-178.6-74.7173.3175.8151.90115R67 E91K64-R67 VanDerWaalsContact CA-CZ 3.49Å; K64-R67 PolarHBondContact O-NE 3.43Å; K64-R67 VanDerWaalsContact O-NE 3.14Å; K64-E91 VanDerWaalsContact CD-OE1 3.27Å; K64-E91 WeakPolarHBondContact CD-OE1 3.48Å; K64-E91 WeakPolarHBondContact CE-OE1 3.34Å; K64-E91 WeakPolarHBondContact CG-OE1 3.25Å; K64-E91 IonicContact NZ-OE1 3.14Å; K64-E91 PolarHBondContact NZ-OE1 3.05Å; K64-E91 VanDerWaalsContact NZ-OE1 3.14Å
65F93.5Very high97.2Very high186 Ų18658.9 Ų58.982%0.81629%0.287SS*.SBendtrans-96.4-30.1-175.3-57.9-74.7000112.6N63N63-F65 VanDerWaalsContact C-N 3.28Å; N63-F65 PolarHBondContact O-N 3.23Å; N63-F65 PolarHBondContact OD1-N 2.9Å
66Q93.8Very high97.2Very high85 Ų8555 Ų5540%0.39727%0.269SS..  trans-120.583.9176.1-176.8-179.2-11.300107.6V62 N63 V68V62-Q66 CarbonylContact C-O 3.53Å; V62-Q66 WeakPolarHBondContact CA-O 3.34Å; N63-Q66 PolarHBondContact N-O 3.05Å; N63-Q66 CarbonylContact O-C 3.59Å; N63-Q66 VanDerWaalsContact O-C 3.29Å; N63-Q66 WeakPolarHBondContact OD1-CA 3.36Å; N63-Q66 WeakPolarHBondContact OD1-CB 3.46Å; N63-Q66 PolarHBondContact OD1-N 2.85Å; Q66-V68 WeakPolarHBondContact CG-O 3.23Å; Q66-V68 PolarHBondContact O-N 2.96Å
67R94.8Very high97.3Very high120 Ų12056.8 Ų56.845%0.45326%0.262SS..  trans-72.2-13-176.6-66.6-70.4-178.1-178.38.8113.8V62 N63 K64V62-R67 WeakPolarHBondContact CG1-O 3.38Å; N63-R67 VanDerWaalsContact O-CD 3.28Å; N63-R67 WeakPolarHBondContact O-CD 3.32Å; N63-R67 PolarHBondContact O-N 2.77Å; K64-R67 VanDerWaalsContact CA-CZ 3.49Å; K64-R67 PolarHBondContact O-NE 3.43Å; K64-R67 VanDerWaalsContact O-NE 3.14Å
68V97.1Very high97.3Very high58 Ų5856 Ų5635%0.35227%0.265SS..SBendtrans-134.3124.5-174.7178.80000108.3Q66 L73 Y83Q66-V68 WeakPolarHBondContact CG-O 3.23Å; Q66-V68 PolarHBondContact O-N 2.96Å; V68-L73 HydrophobicContact CG1-CB 3.61Å; V68-L73 HydrophobicContact CG1-CD1 4.18Å; V68-L73 HydrophobicContact CG1-CD2 3.91Å; V68-L73 HydrophobicContact CG1-CG 4.1Å; V68-Y83 HydrophobicContact CB-CE1 4.35Å; V68-Y83 HydrophobicContact CG1-CD2 4.01Å; V68-Y83 HydrophobicContact CG1-CE1 4.28Å; V68-Y83 HydrophobicContact CG1-CE2 3.74Å; V68-Y83 HydrophobicContact CG1-CG 4.37Å; V68-Y83 HydrophobicContact CG2-CD1 4.08Å; V68-Y83 HydrophobicContact CG2-CE1 4.03Å
69D98.4Very high97.3Very high4 Ų456 Ų562%0.02127%0.265CS..  trans-79.1128.5166.8-177.2-84.4000109.5I60 R61 V62 D71 V72 L73 Y83I60-D69 WeakPolarHBondContact CA-OD2 3.46Å; I60-D69 HydrophobicContact CG2-CB 4.16Å; R61-D69 PolarHBondContact N-OD2 3.42Å; V62-D69 HydrophobicContact CG2-CB 4.19Å; D69-D71 VanDerWaalsContact C-N 3.35Å; D69-D71 PolarHBondContact O-N 2.87Å; D69-D71 PolarHBondContact OD1-N 3.43Å; D69-V72 HydrophobicContact CB-CB 4.09Å; D69-V72 HydrophobicContact CB-CG2 3.97Å; D69-V72 PolarHBondContact O-N 3.17Å; D69-V72 PolarHBondContact OD1-N 3.44Å; D69-V72 VanDerWaalsContact OD1-N 3.11Å; D69-L73 WeakPolarHBondContact O-CB 3.16Å; D69-L73 PolarHBondContact O-N 3.45Å; D69-Y83 PolarHBondContact N-OH 2.98Å
70P98.3Very high97.2Very high75 Ų7560.6 Ų60.649%0.48730%0.296SS..Hα-helixtrans-66.3-33-173.325.9-34.7000113.5K74P70-K74 WeakPolarHBondContact O-CB 3.28Å; P70-K74 PolarHBondContact O-N 3.46Å
71D98.4Very high97.2Very high25 Ų2561.1 Ų61.113%0.13430%0.299CS..Hα-helixtrans-76.2-38.4-179.5-61.8-56.9000110.9I37 L38 K41 D69 K74 A75I37-D71 HydrophobicContact CG2-CB 3.85Å; L38-D71 HydrophobicContact CD2-CB 4.34Å; K41-D71 WeakPolarHBondContact CD-OD2 3.5Å; K41-D71 VanDerWaalsContact CE-OD2 3.26Å; K41-D71 WeakPolarHBondContact CE-OD2 3.47Å; K41-D71 IonicContact NZ-OD2 3.62Å; K41-D71 PolarHBondContact NZ-OD2 3.25Å; D69-D71 VanDerWaalsContact C-N 3.35Å; D69-D71 PolarHBondContact O-N 2.87Å; D69-D71 PolarHBondContact OD1-N 3.43Å; D71-K74 PolarHBondContact O-N 3.39Å; D71-A75 PolarHBondContact O-N 2.97Å
72V98.6Very high97.2Very high0 Ų062.2 Ų62.20%031%0.311CS..Hα-helixtrans-66.5-40.3173.2-178.10000110.8F12 F30 L34 I60 D69 A75 C76 Y83 L86 L88F12-V72 HydrophobicContact CE1-CG2 4.26Å; F12-V72 HydrophobicContact CZ-CG2 3.99Å; F30-V72 HydrophobicContact CE2-CG1 4.21Å; F30-V72 HydrophobicContact CZ-CG1 4.05Å; L34-V72 HydrophobicContact CD1-CG2 4.37Å; I60-V72 HydrophobicContact CG2-CG2 3.79Å; D69-V72 HydrophobicContact CB-CB 4.09Å; D69-V72 HydrophobicContact CB-CG2 3.97Å; D69-V72 PolarHBondContact O-N 3.17Å; D69-V72 PolarHBondContact OD1-N 3.44Å; D69-V72 VanDerWaalsContact OD1-N 3.11Å; V72-A75 WeakPolarHBondContact O-CB 3.44Å; V72-A75 PolarHBondContact O-N 2.91Å; V72-C76 PolarHBondContact O-N 2.95Å; V72-C76 PolarHBondContact O-SG 2.78Å; V72-Y83 HydrophobicContact CB-CE2 3.86Å; V72-Y83 HydrophobicContact CG1-CD2 4.34Å; V72-Y83 HydrophobicContact CG1-CE2 3.57Å; V72-L86 HydrophobicContact CG1-CD1 3.49Å; V72-L86 VanDerWaalsContact CG1-CD1 3.49Å; V72-L88 HydrophobicContact CG1-CD1 4.21Å
73L98.6Very high97.2Very high57 Ų5763.6 Ų63.630%0.29832%0.316SS..Hα-helixtrans-60.2-47.6173.9179.664.7000111.4V68 D69 A75 C76 E77 Y83V68-L73 HydrophobicContact CG1-CB 3.61Å; V68-L73 HydrophobicContact CG1-CD1 4.18Å; V68-L73 HydrophobicContact CG1-CD2 3.91Å; V68-L73 HydrophobicContact CG1-CG 4.1Å; D69-L73 WeakPolarHBondContact O-CB 3.16Å; D69-L73 PolarHBondContact O-N 3.45Å; L73-A75 PolarHBondContact O-N 2.61Å; L73-C76 WeakPolarHBondContact O-CA 3.31Å; L73-C76 VanDerWaalsContact O-CB 3.27Å; L73-C76 WeakPolarHBondContact O-CB 3.41Å; L73-C76 PolarHBondContact O-N 3.06Å; L73-E77 HydrophobicContact CD1-CG 4.47Å; L73-E77 HydrophobicContact CG-CG 4.47Å; L73-E77 WeakPolarHBondContact O-CG 3.26Å; L73-E77 PolarHBondContact O-N 3.06Å; L73-Y83 HydrophobicContact CB-CD2 4.18Å; L73-Y83 HydrophobicContact CB-CE2 4.32Å; L73-Y83 HydrophobicContact CD1-CD2 4.07Å; L73-Y83 HydrophobicContact CD1-CG 4.49Å
74K98.8Very high97.3Very high108 Ų10867.2 Ų67.247%0.4734%0.342SS..Hα-helixtrans-59.9-36.1176.9-172.6179.1-177.4178.40111.9I37 P70 D71 N78I37-K74 HydrophobicContact CD1-CB 3.98Å; I37-K74 HydrophobicContact CD1-CD 4.13Å; I37-K74 HydrophobicContact CD1-CG 3.79Å; I37-K74 HydrophobicContact CG1-CD 4.3Å; I37-K74 HydrophobicContact CG1-CG 4.47Å; P70-K74 WeakPolarHBondContact O-CB 3.28Å; P70-K74 PolarHBondContact O-N 3.46Å; D71-K74 PolarHBondContact O-N 3.39Å; K74-N78 VanDerWaalsContact O-CB 3.32Å; K74-N78 WeakPolarHBondContact O-CB 3.34Å; K74-N78 PolarHBondContact O-N 3.19Å; K74-N78 PolarHBondContact O-ND2 3.06Å
75A98.8Very high97.5Very high0 Ų063.6 Ų63.60%033%0.328CS..Hα-helixtrans-65.8-42.5173.400000111.8F30 K33 L34 I37 D71 V72 L73 N78 S79F30-A75 HydrophobicContact CD2-CB 3.95Å; F30-A75 HydrophobicContact CE2-CB 3.68Å; K33-A75 HydrophobicContact CB-CB 4.38Å; L34-A75 HydrophobicContact CB-CB 3.93Å; L34-A75 HydrophobicContact CD1-CB 4.08Å; I37-A75 HydrophobicContact CD1-CB 3.83Å; D71-A75 PolarHBondContact O-N 2.97Å; V72-A75 WeakPolarHBondContact O-CB 3.44Å; V72-A75 PolarHBondContact O-N 2.91Å; L73-A75 PolarHBondContact O-N 2.61Å; A75-N78 PolarHBondContact O-N 2.98Å; A75-S79 WeakPolarHBondContact O-CB 3.42Å; A75-S79 PolarHBondContact O-N 3.43Å; A75-S79 PolarHBondContact O-OG 3.04Å; A75-S79 VanDerWaalsContact O-OG 3.06Å
76C98.6Very high97.7Very high1 Ų154.8 Ų54.81%0.00729%0.289CS..Hα-helixtrans-58.6-49.8173.9-74.20000112.4V72 L73 N78 S79 C80 I81 L86V72-C76 PolarHBondContact O-N 2.95Å; V72-C76 PolarHBondContact O-SG 2.78Å; L73-C76 WeakPolarHBondContact O-CA 3.31Å; L73-C76 VanDerWaalsContact O-CB 3.27Å; L73-C76 WeakPolarHBondContact O-CB 3.41Å; L73-C76 PolarHBondContact O-N 3.06Å; C76-N78 PolarHBondContact O-N 3.17Å; C76-S79 CarbonylContact O-C 3.53Å; C76-S79 PolarHBondContact O-N 3.48Å; C76-C80 PolarHBondContact O-N 3.05Å; C76-I81 WeakPolarHBondContact CB-O 2.94Å; C76-I81 PolarHBondContact O-N 3.43Å; C76-L86 WeakPolarHBondContact SG-CD1 3.3Å
77E98.5Very high97.7Very high122 Ų12252 Ų5257%0.5728%0.284SS*.Hα-helixtrans-59.1-47.6179.4-70171.8167.100111.1L73 S79 C80L73-E77 HydrophobicContact CD1-CG 4.47Å; L73-E77 HydrophobicContact CG-CG 4.47Å; L73-E77 WeakPolarHBondContact O-CG 3.26Å; L73-E77 PolarHBondContact O-N 3.06Å; E77-S79 PolarHBondContact O-N 3.3Å; E77-S79 VanDerWaalsContact O-N 3.1Å; E77-C80 PolarHBondContact O-N 2.91Å; E77-C80 VanDerWaalsContact O-N 3.15Å
78N98.5Very high97.7Very high83 Ų8347.5 Ų47.544%0.44427%0.268SS..THydrogen-bonded Turntrans-67.6-9.5178.1-70.6-17.1000114.1K33 K74 A75 C76K33-N78 HydrophobicContact CB-CB 4.12Å; K33-N78 HydrophobicContact CD-CB 3.99Å; K33-N78 WeakPolarHBondContact CE-O 3.16Å; K33-N78 HydrophobicContact CG-CB 3.75Å; K74-N78 VanDerWaalsContact O-CB 3.32Å; K74-N78 WeakPolarHBondContact O-CB 3.34Å; K74-N78 PolarHBondContact O-N 3.19Å; K74-N78 PolarHBondContact O-ND2 3.06Å; A75-N78 PolarHBondContact O-N 2.98Å; C76-N78 PolarHBondContact O-N 3.17Å
79S98.1Very high97.6Very high0 Ų045.1 Ų45.10%025%0.254CS..THydrogen-bonded Turntrans-115.85178-59.90000113R29 F30 K33 A75 C76 E77 I81R29-S79 VanDerWaalsContact C-OG 3.31Å; R29-S79 PolarHBondContact NH1-O 3.22Å; R29-S79 PolarHBondContact O-OG 3.25Å; F30-S79 VanDerWaalsContact CA-OG 3.22Å; F30-S79 WeakPolarHBondContact CA-OG 3.49Å; F30-S79 PolarHBondContact N-OG 3.29Å; K33-S79 VanDerWaalsContact CG-OG 3.23Å; K33-S79 WeakPolarHBondContact CG-OG 3.4Å; A75-S79 WeakPolarHBondContact O-CB 3.42Å; A75-S79 PolarHBondContact O-N 3.43Å; A75-S79 PolarHBondContact O-OG 3.04Å; A75-S79 VanDerWaalsContact O-OG 3.06Å; C76-S79 CarbonylContact O-C 3.53Å; C76-S79 PolarHBondContact O-N 3.48Å; E77-S79 PolarHBondContact O-N 3.3Å; E77-S79 VanDerWaalsContact O-N 3.1Å; S79-I81 VanDerWaalsContact C-N 3.29Å; S79-I81 PolarHBondContact O-N 2.95Å
80C97.8Very high97.3Very high117 Ų11751.6 Ų51.679%0.79128%0.282SS*.THydrogen-bonded Turntrans53.744.2-176.5-48.30000112.7C76 E77C76-C80 PolarHBondContact O-N 3.05Å; E77-C80 PolarHBondContact O-N 2.91Å; E77-C80 VanDerWaalsContact O-N 3.15Å
81I97.8Very high97.2Very high15 Ų1549.6 Ų49.68%0.07727%0.266CS..  trans-115.8140.5178.4-73166.3000108.7L22 A26 F30 C76 S79 L86L22-I81 HydrophobicContact CD1-CD1 4Å; L22-I81 HydrophobicContact CD1-CG1 4.22Å; L22-I81 HydrophobicContact CD1-CG2 3.53Å; L22-I81 HydrophobicContact CD2-CG1 4.28Å; L22-I81 HydrophobicContact CD2-CG2 4.13Å; L22-I81 HydrophobicContact CG-CG2 4.5Å; A26-I81 HydrophobicContact CB-CD1 4.01Å; A26-I81 HydrophobicContact CB-CG1 4.31Å; A26-I81 VanDerWaalsContact O-CD1 3.26Å; A26-I81 WeakPolarHBondContact O-CD1 3.47Å; F30-I81 HydrophobicContact CB-CD1 3.7Å; F30-I81 HydrophobicContact CG-CD1 4.47Å; C76-I81 WeakPolarHBondContact CB-O 2.94Å; C76-I81 PolarHBondContact O-N 3.43Å; S79-I81 VanDerWaalsContact C-N 3.29Å; S79-I81 PolarHBondContact O-N 2.95Å; I81-L86 HydrophobicContact CG2-CD2 4.06Å
82L97.9Very high97.1Very high114 Ų11448.5 Ų48.560%0.59726%0.26SS*.  trans-75.9136.3169.7-59.6173.9000109.7S84 D85L82-S84 PolarHBondContact O-N 3.1Å; L82-D85 WeakPolarHBondContact CB-OD2 3.37Å; L82-D85 WeakPolarHBondContact O-CB 3.34Å; L82-D85 PolarHBondContact O-N 3.47Å
83Y97.7Very high97.1Very high36 Ų3648.8 Ų48.814%0.14126%0.262CS..G310 helixtrans-56.9-35.4179.5-166.2-90.1000112.7V62 V68 D69 V72 L73 D85 L86 L88V62-Y83 VanDerWaalsContact CG2-OH 3.3Å; V62-Y83 WeakPolarHBondContact CG2-OH 3.44Å; V68-Y83 HydrophobicContact CB-CE1 4.35Å; V68-Y83 HydrophobicContact CG1-CD2 4.01Å; V68-Y83 HydrophobicContact CG1-CE1 4.28Å; V68-Y83 HydrophobicContact CG1-CE2 3.74Å; V68-Y83 HydrophobicContact CG1-CG 4.37Å; V68-Y83 HydrophobicContact CG2-CD1 4.08Å; V68-Y83 HydrophobicContact CG2-CE1 4.03Å; D69-Y83 PolarHBondContact N-OH 2.98Å; V72-Y83 HydrophobicContact CB-CE2 3.86Å; V72-Y83 HydrophobicContact CG1-CD2 4.34Å; V72-Y83 HydrophobicContact CG1-CE2 3.57Å; L73-Y83 HydrophobicContact CB-CD2 4.18Å; L73-Y83 HydrophobicContact CB-CE2 4.32Å; L73-Y83 HydrophobicContact CD1-CD2 4.07Å; L73-Y83 HydrophobicContact CD1-CG 4.49Å; Y83-D85 PolarHBondContact O-N 3.41Å; Y83-L86 HydrophobicContact CD2-CD1 4.29Å; Y83-L86 HydrophobicContact CE2-CD1 4.36Å; Y83-L86 WeakPolarHBondContact O-CB 3.48Å; Y83-L86 WeakPolarHBondContact O-CG 3.32Å; Y83-L86 PolarHBondContact O-N 3.15Å; Y83-L88 HydrophobicContact CE1-CD1 4.02Å; Y83-L88 HydrophobicContact CE2-CD1 4.42Å; Y83-L88 VanDerWaalsContact OH-CD1 3.32Å; Y83-L88 WeakPolarHBondContact OH-CD1 3.4Å
84S96.4Very high97.1Very high85 Ų8546.1 Ų46.159%0.59425%0.248SC*.G310 helixtrans-61.4-29.5176.350.80000113.5L82 L86 G87L82-S84 PolarHBondContact O-N 3.1Å; S84-L86 PolarHBondContact O-N 2.9Å; S84-G87 PolarHBondContact O-N 3.06Å
85D97.3Very high97.1Very high45 Ų4543.6 Ų43.624%0.24124%0.236CC..G310 helixtrans-76.2-14.5-177-61.4-16.7000112H19 K21 L22 L82 Y83 G87H19-D85 PolarHBondContact ND1-O 3.25Å; K21-D85 HydrophobicContact CB-CB 4.22Å; L22-D85 HydrophobicContact CD1-CB 4.12Å; L22-D85 HydrophobicContact CD2-CB 3.76Å; L22-D85 HydrophobicContact CG-CB 3.94Å; L82-D85 WeakPolarHBondContact CB-OD2 3.37Å; L82-D85 WeakPolarHBondContact O-CB 3.34Å; L82-D85 PolarHBondContact O-N 3.47Å; Y83-D85 PolarHBondContact O-N 3.41Å; D85-G87 PolarHBondContact O-N 2.73Å
86L97.1Very high97.1Very high0 Ų043.6 Ų43.60%024%0.236CC..G310 helixtrans-65.7-25.2173-61.8-171.6000112.9V16 L22 F30 V72 C76 I81 Y83 S84 L88V16-L86 HydrophobicContact CG1-CD2 4.43Å; V16-L86 HydrophobicContact CG2-CB 4.14Å; V16-L86 HydrophobicContact CG2-CD2 3.74Å; V16-L86 HydrophobicContact CG2-CG 4.5Å; L22-L86 HydrophobicContact CD1-CD2 4.26Å; F30-L86 HydrophobicContact CD2-CD2 4.27Å; F30-L86 HydrophobicContact CE1-CD2 4.38Å; F30-L86 HydrophobicContact CE2-CD1 4.09Å; F30-L86 HydrophobicContact CE2-CD2 4.02Å; F30-L86 HydrophobicContact CZ-CD1 4.03Å; F30-L86 HydrophobicContact CZ-CD2 4.08Å; V72-L86 HydrophobicContact CG1-CD1 3.49Å; V72-L86 VanDerWaalsContact CG1-CD1 3.49Å; C76-L86 WeakPolarHBondContact SG-CD1 3.3Å; I81-L86 HydrophobicContact CG2-CD2 4.06Å; Y83-L86 HydrophobicContact CD2-CD1 4.29Å; Y83-L86 HydrophobicContact CE2-CD1 4.36Å; Y83-L86 WeakPolarHBondContact O-CB 3.48Å; Y83-L86 WeakPolarHBondContact O-CG 3.32Å; Y83-L86 PolarHBondContact O-N 3.15Å; S84-L86 PolarHBondContact O-N 2.9Å; L86-L88 VanDerWaalsContact C-N 3.3Å; L86-L88 HydrophobicContact CB-CD2 3.93Å; L86-L88 HydrophobicContact CB-CG 3.85Å; L86-L88 HydrophobicContact CD1-CD1 4.11Å; L86-L88 HydrophobicContact CD1-CD2 4.29Å; L86-L88 HydrophobicContact CD1-CG 4.14Å; L86-L88 PolarHBondContact O-N 2.66Å
87G95Very high97.1Very high27 Ų2744.6 Ų44.628%0.27824%0.241SC..  trans63.832.9-177.800000113.8H19 S84 D85H19-G87 WeakPolarHBondContact ND1-CA 3.38Å; H19-G87 PolarHBondContact ND1-N 3.12Å; S84-G87 PolarHBondContact O-N 3.06Å; D85-G87 PolarHBondContact O-N 2.73Å
88L94.9Very high97Very high26 Ų2639 Ų3914%0.13622%0.215CC..  trans-64.5144179.7-56.6-171.2000111.3F12 L15 V62 V72 Y83 L86F12-L88 HydrophobicContact CD1-CD2 3.85Å; F12-L88 HydrophobicContact CE1-CD1 4.11Å; F12-L88 HydrophobicContact CE1-CD2 3.67Å; L15-L88 HydrophobicContact CD2-CD2 3.42Å; L15-L88 VanDerWaalsContact CD2-CD2 3.42Å; V62-L88 HydrophobicContact CG2-CD1 4.21Å; V72-L88 HydrophobicContact CG1-CD1 4.21Å; Y83-L88 HydrophobicContact CE1-CD1 4.02Å; Y83-L88 HydrophobicContact CE2-CD1 4.42Å; Y83-L88 VanDerWaalsContact OH-CD1 3.32Å; Y83-L88 WeakPolarHBondContact OH-CD1 3.4Å; L86-L88 VanDerWaalsContact C-N 3.3Å; L86-L88 HydrophobicContact CB-CD2 3.93Å; L86-L88 HydrophobicContact CB-CG 3.85Å; L86-L88 HydrophobicContact CD1-CD1 4.11Å; L86-L88 HydrophobicContact CD1-CD2 4.29Å; L86-L88 HydrophobicContact CD1-CG 4.14Å; L86-L88 PolarHBondContact O-N 2.66Å
89P93.4Very high96.8Very high7 Ų737.3 Ų37.35%0.04521%0.209CC..  trans-48.2147.6164.6-33.838.8000114.2L15 E91 L92 Y105 V138L15-P89 HydrophobicContact CD1-CG 4.38Å; P89-E91 PolarHBondContact O-N 2.8Å; P89-L92 HydrophobicContact CB-CB 4.13Å; P89-L92 HydrophobicContact CG-CB 4.44Å; P89-Y105 HydrophobicContact CB-CD2 3.76Å; P89-Y105 HydrophobicContact CB-CE2 3.57Å; P89-Y105 HydrophobicContact CG-CD2 3.87Å; P89-Y105 HydrophobicContact CG-CE2 3.78Å; P89-V138 HydrophobicContact CG-CG1 3.43Å; P89-V138 VanDerWaalsContact CG-CG1 3.43Å
90K92.7Very high96.7Very high140 Ų14040.4 Ų40.461%0.60922%0.224SC*.SBendtrans-61.2-27.2171.6-72-178.7-176.8173.90113.3N63N63-K90 CarbonylContact C-O 3.57Å; N63-K90 WeakPolarHBondContact CA-O 3.37Å
91E96.2Very high96.7Very high33 Ų3334.9 Ų34.915%0.15419%0.186CC..SBendtrans-139.2104.4-180-68.1179.4-173.800109.6V62 N63 K64 P89 G106 E107V62-E91 CarbonylContact O-C 3.39Å; V62-E91 VanDerWaalsContact O-CA 3.32Å; V62-E91 WeakPolarHBondContact O-CA 3.22Å; N63-E91 HydrophobicContact CB-CG 4.5Å; K64-E91 VanDerWaalsContact CD-OE1 3.27Å; K64-E91 WeakPolarHBondContact CD-OE1 3.48Å; K64-E91 WeakPolarHBondContact CE-OE1 3.34Å; K64-E91 WeakPolarHBondContact CG-OE1 3.25Å; K64-E91 IonicContact NZ-OE1 3.14Å; K64-E91 PolarHBondContact NZ-OE1 3.05Å; K64-E91 VanDerWaalsContact NZ-OE1 3.14Å; P89-E91 PolarHBondContact O-N 2.8Å; E91-G106 PolarHBondContact O-N 2.79Å; E91-G106 WeakPolarHBondContact OE2-CA 3.26Å; E91-E107 HydrophobicContact CG-CG 4.36Å; E91-E107 PolarHBondContact OE2-N 3.33Å
92L97.1Very high96.7Very high3 Ų335 Ų352%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-138.7132.3178.6-179.968.3000109.1F11 F12 R61 V62 P89 L94 C103F11-L92 HydrophobicContact CE1-CD1 4.43Å; F11-L92 HydrophobicContact CE1-CD2 4.39Å; F11-L92 HydrophobicContact CZ-CD1 4.48Å; F12-L92 HydrophobicContact CZ-CD2 4.49Å; R61-L92 WeakPolarHBondContact CA-O 3.48Å; V62-L92 PolarHBondContact N-O 3Å; V62-L92 PolarHBondContact O-N 2.88Å; P89-L92 HydrophobicContact CB-CB 4.13Å; P89-L92 HydrophobicContact CG-CB 4.44Å; L92-L94 HydrophobicContact CD2-CD1 4.37Å; L92-C103 WeakPolarHBondContact CD1-SG 3.27Å
93T98.2Very high96.7Very high6 Ų629.5 Ų29.54%0.03716%0.16CC..EExtended strand (participates in β ladder)trans-130.5124.3171.9-51.80000108.7C59 R61 W95 C103 R104C59-T93 VanDerWaalsContact SG-CG2 3.53Å; R61-T93 HydrophobicContact CG-CG2 4.44Å; T93-W95 HydrophobicContact CG2-CD2 4.18Å; T93-W95 HydrophobicContact CG2-CE3 4.35Å; T93-W95 HydrophobicContact CG2-CH2 3.74Å; T93-W95 HydrophobicContact CG2-CZ2 3.5Å; T93-W95 VanDerWaalsContact CG2-CZ2 3.5Å; T93-W95 HydrophobicContact CG2-CZ3 4.15Å; T93-C103 CarbonylContact O-C 3.52Å; T93-C103 WeakPolarHBondContact O-CA 3.3Å; T93-R104 PolarHBondContact N-O 3.26Å; T93-R104 PolarHBondContact O-N 3.16Å
94L98.4Very high96.7Very high0 Ų030.6 Ų30.60%016%0.163CC..EExtended strand (participates in β ladder)trans-116.3126.8174-71.2164.6000109.5F11 F12 C59 I60 L92 C102 C103 V114F11-L94 HydrophobicContact CD1-CD1 4.09Å; F11-L94 HydrophobicContact CD1-CD2 4.45Å; F11-L94 HydrophobicContact CE1-CD1 4.17Å; F11-L94 HydrophobicContact CE1-CD2 4.36Å; F12-L94 HydrophobicContact CD2-CD1 4.33Å; F12-L94 HydrophobicContact CE2-CD1 3.46Å; F12-L94 VanDerWaalsContact CE2-CD1 3.46Å; F12-L94 HydrophobicContact CZ-CD1 3.79Å; C59-L94 WeakPolarHBondContact CA-O 3.49Å; I60-L94 HydrophobicContact CB-CB 4.25Å; I60-L94 PolarHBondContact N-O 2.72Å; I60-L94 PolarHBondContact O-N 3.4Å; L92-L94 HydrophobicContact CD2-CD1 4.37Å; L94-C102 CarbonylContact C-O 3.55Å; L94-C102 VanDerWaalsContact CA-O 3.32Å; L94-C102 WeakPolarHBondContact CA-O 3.18Å; L94-C103 HydrophobicContact CD2-CB 3.56Å; L94-V114 HydrophobicContact CD2-CG2 4.3Å
95W98.6Very high96.6Very high56 Ų5628.5 Ų28.521%0.21214%0.143CC..EExtended strand (participates in β ladder)trans-100.6125.4169-62.5-85.7000108.4T93 V101 C102 R104 A111T93-W95 HydrophobicContact CG2-CD2 4.18Å; T93-W95 HydrophobicContact CG2-CE3 4.35Å; T93-W95 HydrophobicContact CG2-CH2 3.74Å; T93-W95 HydrophobicContact CG2-CZ2 3.5Å; T93-W95 VanDerWaalsContact CG2-CZ2 3.5Å; T93-W95 HydrophobicContact CG2-CZ3 4.15Å; W95-V101 WeakPolarHBondContact O-CA 3.32Å; W95-C102 HydrophobicContact CB-CB 4.39Å; W95-C102 HydrophobicContact CE3-CB 4.07Å; W95-C102 PolarHBondContact N-O 3.42Å; W95-C102 PolarHBondContact O-N 2.89Å; W95-R104 HydrophobicContact CH2-CB 3.84Å; W95-R104 HydrophobicContact CZ3-CB 3.68Å; W95-A111 HydrophobicContact CH2-CB 4.43Å; W95-A111 HydrophobicContact CZ3-CB 3.83Å
96V98.6Very high96.4Very high0 Ų027 Ų270%014%0.138CC..EExtended strand (participates in β ladder)trans-117.790.7-176.5-166.70000107E4 V8 Y42 W46 R58 I60 V101E4-V96 HydrophobicContact CB-CG1 4.05Å; V8-V96 HydrophobicContact CG2-CB 4.31Å; V8-V96 HydrophobicContact CG2-CG1 3.86Å; V8-V96 HydrophobicContact CG2-CG2 3.5Å; V8-V96 VanDerWaalsContact CG2-CG2 3.5Å; Y42-V96 HydrophobicContact CE2-CB 3.93Å; Y42-V96 HydrophobicContact CE2-CG1 3.77Å; W46-V96 HydrophobicContact CH2-CG1 4.42Å; W46-V96 HydrophobicContact CZ3-CG1 4.41Å; W46-V96 WeakPolarHBondContact CZ3-O 3.48Å; R58-V96 WeakPolarHBondContact CD-O 3.38Å; R58-V96 PolarHBondContact NE-O 3.39Å; I60-V96 HydrophobicContact CD1-CG2 4.36Å; V96-V101 HydrophobicContact CG1-CG2 4.3Å
97D98.1Very high96.2Very high21 Ų2129.9 Ų29.911%0.11215%0.151CC..EExtended strand (participates in β ladder)trans-118.9157.1-169.7-62.1-27.6000110W46 R58 C99 E100W46-D97 VanDerWaalsContact CH2-C 3.41Å; W46-D97 WeakPolarHBondContact CH2-O 3.47Å; R58-D97 IonicContact CZ-OD1 3.12Å; R58-D97 IonicContact NE-OD1 2.92Å; R58-D97 IonicContact NH2-OD1 2.71Å; R58-D97 PolarHBondContact NH2-OD1 3.26Å; D97-C99 PolarHBondContact O-N 2.98Å; D97-E100 CarbonylContact C-O 3.47Å; D97-E100 PolarHBondContact N-O 3.05Å; D97-E100 PolarHBondContact O-N 3.15Å; D97-E100 VanDerWaalsContact O-N 3.15Å
98P97.6Very high96.1Very high5 Ų538.3 Ų38.33%0.03218%0.18CC..THydrogen-bonded Turntrans-49.7130.5170.9-2430000111.8W46 P51 E100W46-P98 HydrophobicContact CD2-CG 4.08Å; W46-P98 HydrophobicContact CG-CG 4.45Å; W46-P98 HydrophobicContact CH2-CG 4.46Å; W46-P98 VanDerWaalsContact CZ2-CA 3.4Å; W46-P98 HydrophobicContact CZ2-CB 4.03Å; W46-P98 HydrophobicContact CZ2-CG 3.84Å; P51-P98 HydrophobicContact CB-CB 4.13Å; P51-P98 HydrophobicContact CB-CG 4.13Å; P51-P98 HydrophobicContact CG-CB 4.18Å; P98-E100 PolarHBondContact O-N 3.15Å; P98-E100 VanDerWaalsContact O-N 3.15Å
99C94.9Very high96Very high48 Ų4840.9 Ų40.932%0.32419%0.194SC..THydrogen-bonded Turntrans69.5-7.3179.9-50.30000116.1E4 D97 S116 F117 E118E4-C99 PolarHBondContact OE1-N 3.43Å; D97-C99 PolarHBondContact O-N 2.98Å; C99-S116 CarbonylContact O-C 3.51Å; C99-S116 WeakPolarHBondContact O-CA 3.41Å; C99-F117 PolarHBondContact O-N 3.47Å; C99-E118 HydrophobicContact CB-CG 4.03Å
100E95.9Very high96Very high65 Ų6547.7 Ų47.730%0.30423%0.23SC..EExtended strand (participates in β ladder)trans-151.3138.4-176.8-166.7176.484.200113.7D97 P98 C102 I113D97-E100 CarbonylContact C-O 3.47Å; D97-E100 PolarHBondContact N-O 3.05Å; D97-E100 PolarHBondContact O-N 3.15Å; D97-E100 VanDerWaalsContact O-N 3.15Å; P98-E100 PolarHBondContact O-N 3.15Å; P98-E100 VanDerWaalsContact O-N 3.15Å; E100-C102 VanDerWaalsContact CD-SG 3.54Å; E100-C102 PolarHBondContact OE1-SG 3.18Å; E100-I113 HydrophobicContact CG-CG2 4.34Å; E100-I113 WeakPolarHBondContact OE2-CD1 3.44Å
101V98.1Very high96.2Very high0 Ų043.7 Ų43.70%022%0.223CC..EExtended strand (participates in β ladder)trans-116.2121165.8-178.30000108.5E4 A7 V8 W95 V96 V114 A115 F117E4-V101 HydrophobicContact CB-CG2 3.78Å; E4-V101 HydrophobicContact CG-CG2 4.33Å; A7-V101 HydrophobicContact CB-CG2 4.41Å; V8-V101 HydrophobicContact CG2-CG1 3.65Å; V8-V101 HydrophobicContact CG2-CG2 4.13Å; W95-V101 WeakPolarHBondContact O-CA 3.32Å; V96-V101 HydrophobicContact CG1-CG2 4.3Å; V101-V114 HydrophobicContact CB-CB 4.33Å; V101-V114 HydrophobicContact CG1-CB 4.05Å; V101-V114 HydrophobicContact CG1-CG1 4.41Å; V101-V114 HydrophobicContact CG1-CG2 4.46Å; V101-V114 WeakPolarHBondContact O-CA 3.27Å; V101-V114 WeakPolarHBondContact O-CB 3.45Å; V101-V114 PolarHBondContact O-N 3.12Å; V101-A115 PolarHBondContact N-O 3.31Å; V101-A115 PolarHBondContact O-N 2.98Å; V101-F117 HydrophobicContact CG2-CE2 4.29Å
102C97.5Very high96.1Very high17 Ų1743.8 Ų43.812%0.11522%0.223CC..EExtended strand (participates in β ladder)trans-116.2147.6179.9-90.90000111.4L94 W95 E100 F112L94-C102 CarbonylContact C-O 3.55Å; L94-C102 VanDerWaalsContact CA-O 3.32Å; L94-C102 WeakPolarHBondContact CA-O 3.18Å; W95-C102 HydrophobicContact CB-CB 4.39Å; W95-C102 HydrophobicContact CE3-CB 4.07Å; W95-C102 PolarHBondContact N-O 3.42Å; W95-C102 PolarHBondContact O-N 2.89Å; E100-C102 VanDerWaalsContact CD-SG 3.54Å; E100-C102 PolarHBondContact OE1-SG 3.18Å; C102-F112 WeakPolarHBondContact CA-O 3.43Å
103C97.6Very high96.1Very high0 Ų048 Ų480%025%0.245CC..EExtended strand (participates in β ladder)trans-127.5143.5178.4-177.70000110.7L92 T93 L94 A111 F112 V114L92-C103 WeakPolarHBondContact CD1-SG 3.27Å; T93-C103 CarbonylContact O-C 3.52Å; T93-C103 WeakPolarHBondContact O-CA 3.3Å; L94-C103 HydrophobicContact CD2-CB 3.56Å; C103-A111 CarbonylContact O-C 3.29Å; C103-A111 VanDerWaalsContact O-CA 3.24Å; C103-A111 WeakPolarHBondContact O-CA 3.4Å; C103-F112 HydrophobicContact CB-CD2 4.33Å; C103-F112 HydrophobicContact CB-CE1 4.25Å; C103-F112 HydrophobicContact CB-CE2 3.71Å; C103-F112 HydrophobicContact CB-CZ 3.67Å; C103-F112 PolarHBondContact N-O 3.37Å; C103-F112 WeakPolarHBondContact O-CD1 3.43Å; C103-F112 PolarHBondContact O-N 2.92Å; C103-V114 HydrophobicContact CB-CG2 3.34Å
104R96.9Very high95.9Very high58 Ų5847.7 Ų47.722%0.21924%0.243CC..EExtended strand (participates in β ladder)trans-127.4125.2162.1178.917861-176.71.8108.9T93 W95 G106 N109 A111T93-R104 PolarHBondContact N-O 3.26Å; T93-R104 PolarHBondContact O-N 3.16Å; W95-R104 HydrophobicContact CH2-CB 3.84Å; W95-R104 HydrophobicContact CZ3-CB 3.68Å; R104-G106 WeakPolarHBondContact CD-O 3.38Å; R104-G106 VanDerWaalsContact CG-O 3.29Å; R104-G106 WeakPolarHBondContact CG-O 3.26Å; R104-N109 WeakPolarHBondContact CD-O 3.28Å; R104-N109 WeakPolarHBondContact CG-O 3.19Å; R104-A111 HydrophobicContact CB-CB 4.21Å
105Y93.7Very high95.8Very high41 Ų4147.7 Ų47.716%0.16124%0.243CC..EExtended strand (participates in β ladder)trans-103.1119172.2170-106.1000108.7P89 N109 V138 D141P89-Y105 HydrophobicContact CB-CD2 3.76Å; P89-Y105 HydrophobicContact CB-CE2 3.57Å; P89-Y105 HydrophobicContact CG-CD2 3.87Å; P89-Y105 HydrophobicContact CG-CE2 3.78Å; Y105-N109 WeakPolarHBondContact O-CB 3.5Å; Y105-N109 VanDerWaalsContact O-CG 3.32Å; Y105-N109 PolarHBondContact O-ND2 3.2Å; Y105-V138 HydrophobicContact CD2-CB 4.4Å; Y105-V138 HydrophobicContact CD2-CG1 3.73Å; Y105-V138 HydrophobicContact CE2-CG1 4.17Å; Y105-V138 WeakPolarHBondContact CE2-O 3.27Å; Y105-V138 HydrophobicContact CG-CB 4.5Å; Y105-V138 HydrophobicContact CG-CG1 4.3Å; Y105-V138 HydrophobicContact CG-CG2 4.43Å; Y105-D141 HydrophobicContact CE1-CB 4.21Å; Y105-D141 WeakPolarHBondContact CE1-OD2 3.35Å
106G94.1Very high95.5Very high13 Ų1345.7 Ų45.713%0.13424%0.237CC..SBendtrans81.1133.6-171.900000113.9E91 R104 K108 N109E91-G106 PolarHBondContact O-N 2.79Å; E91-G106 WeakPolarHBondContact OE2-CA 3.26Å; R104-G106 WeakPolarHBondContact CD-O 3.38Å; R104-G106 VanDerWaalsContact CG-O 3.29Å; R104-G106 WeakPolarHBondContact CG-O 3.26Å; G106-K108 PolarHBondContact O-N 3.48Å; G106-N109 PolarHBondContact O-N 2.96Å
107E92.4Very high95.1Very high62 Ų6247.2 Ų47.229%0.2924%0.244SC..THydrogen-bonded Turntrans-67.5-21.7-173.9-68.1-165.4146.100114.1R61 N63 E91R61-E107 IonicContact CZ-OE1 3.52Å; R61-E107 IonicContact NH2-OE1 2.66Å; R61-E107 PolarHBondContact NH2-OE1 2.97Å; N63-E107 VanDerWaalsContact CB-OE1 3.29Å; N63-E107 WeakPolarHBondContact CB-OE1 3.39Å; N63-E107 PolarHBondContact ND2-OE1 3.35Å; E91-E107 HydrophobicContact CG-CG 4.36Å; E91-E107 PolarHBondContact OE2-N 3.33Å
108K92.7Very high94.4Very high204 Ų20452.9 Ų52.989%0.88727%0.27SS*.THydrogen-bonded Turntrans-92.1-9.6179.2-63.8-175.6179-178.60114.1G106G106-K108 PolarHBondContact O-N 3.48Å
109N93.3Very high93.3Very high80 Ų8057.2 Ų57.243%0.42829%0.293SS..SBendtrans-88.4160.9-174.2-67.6-14.6000111.4R104 Y105 G106R104-N109 WeakPolarHBondContact CD-O 3.28Å; R104-N109 WeakPolarHBondContact CG-O 3.19Å; Y105-N109 WeakPolarHBondContact O-CB 3.5Å; Y105-N109 VanDerWaalsContact O-CG 3.32Å; Y105-N109 PolarHBondContact O-ND2 3.2Å; G106-N109 PolarHBondContact O-N 2.96Å
110N94.3Very high92Very high150 Ų15064.3 Ų64.380%0.80232%0.321SS*.PPolyproline II helixtrans-72.6147.6172.9-67.2-33.1000110.8
111A95.9Very high90.6Very high56 Ų5668.8 Ų68.846%0.46335%0.347SS..PPolyproline II helixtrans-71.9155.5168.600000110.6W95 C103 R104W95-A111 HydrophobicContact CH2-CB 4.43Å; W95-A111 HydrophobicContact CZ3-CB 3.83Å; C103-A111 CarbonylContact O-C 3.29Å; C103-A111 VanDerWaalsContact O-CA 3.24Å; C103-A111 WeakPolarHBondContact O-CA 3.4Å; R104-A111 HydrophobicContact CB-CB 4.21Å
112F95Very high89.3Confident35 Ų3570.8 Ų70.815%0.15436%0.356CS..EExtended strand (participates in β ladder)trans-141.8152.7174.959.4-92.2000110.6C102 C103 V114 A134 K137 V138C102-F112 WeakPolarHBondContact CA-O 3.43Å; C103-F112 HydrophobicContact CB-CD2 4.33Å; C103-F112 HydrophobicContact CB-CE1 4.25Å; C103-F112 HydrophobicContact CB-CE2 3.71Å; C103-F112 HydrophobicContact CB-CZ 3.67Å; C103-F112 PolarHBondContact N-O 3.37Å; C103-F112 WeakPolarHBondContact O-CD1 3.43Å; C103-F112 PolarHBondContact O-N 2.92Å; F112-V114 HydrophobicContact CE2-CG2 4.24Å; F112-A134 HydrophobicContact CD2-CB 4.12Å; F112-A134 HydrophobicContact CE2-CB 3.51Å; F112-K137 HydrophobicContact CD2-CD 4.44Å; F112-K137 HydrophobicContact CG-CD 4.42Å; F112-K137 HydrophobicContact CZ-CB 4.38Å; F112-V138 HydrophobicContact CZ-CG2 3.79Å
113I95.8Very high88.4Confident90 Ų9074.6 Ų74.646%0.46238%0.376SS..EExtended strand (participates in β ladder)trans-73.3129.4179.1-59.8171.1000109.5E100E100-I113 HydrophobicContact CG-CG2 4.34Å; E100-I113 WeakPolarHBondContact OE2-CD1 3.44Å
114V95.6Very high87.6Confident0 Ų082.3 Ų82.30%041%0.409CS..EExtended strand (participates in β ladder)trans-89.3-44.5171.4177.10000109.9F11 L94 V101 C103 F112 K130 V131 A134F11-V114 HydrophobicContact CB-CG1 4.47Å; F11-V114 HydrophobicContact CD2-CG1 4.18Å; L94-V114 HydrophobicContact CD2-CG2 4.3Å; V101-V114 HydrophobicContact CB-CB 4.33Å; V101-V114 HydrophobicContact CG1-CB 4.05Å; V101-V114 HydrophobicContact CG1-CG1 4.41Å; V101-V114 HydrophobicContact CG1-CG2 4.46Å; V101-V114 WeakPolarHBondContact O-CA 3.27Å; V101-V114 WeakPolarHBondContact O-CB 3.45Å; V101-V114 PolarHBondContact O-N 3.12Å; C103-V114 HydrophobicContact CB-CG2 3.34Å; F112-V114 HydrophobicContact CE2-CG2 4.24Å; V114-K130 CarbonylContact O-C 3.54Å; V114-V131 HydrophobicContact CG1-CB 4.39Å; V114-V131 HydrophobicContact CG1-CG1 4.27Å; V114-V131 HydrophobicContact CG1-CG2 3.9Å; V114-V131 PolarHBondContact O-N 3.4Å; V114-A134 HydrophobicContact CB-CB 4.36Å; V114-A134 HydrophobicContact CG1-CB 4.27Å; V114-A134 HydrophobicContact CG2-CB 4.1Å
115A95.1Very high87.1Confident0 Ų084.3 Ų84.30%042%0.424CS..EExtended strand (participates in β ladder)trans-153.6144.1175.700000109.9A7 V101 F117 I127 V131A7-A115 HydrophobicContact CB-CB 3.83Å; V101-A115 PolarHBondContact N-O 3.31Å; V101-A115 PolarHBondContact O-N 2.98Å; A115-F117 HydrophobicContact CB-CE1 4.49Å; A115-F117 HydrophobicContact CB-CE2 3.69Å; A115-F117 HydrophobicContact CB-CZ 3.62Å; A115-I127 HydrophobicContact CB-CG2 3.96Å; A115-V131 HydrophobicContact CB-CG2 4.45Å
116S93.6Very high86.8Confident14 Ų1486.7 Ų86.710%0.09844%0.437CS..EExtended strand (participates in β ladder)trans-121.8150.1169.3175.90000108.5C99C99-S116 CarbonylContact O-C 3.51Å; C99-S116 WeakPolarHBondContact O-CA 3.41Å
117F89.6Confident86.4Confident32 Ų3287.4 Ų87.414%0.1444%0.437CS..  trans-136.820.8-176.7-50.2-87.8000111.4N3 E4 A7 C99 V101 A115 N119 I127N3-F117 HydrophobicContact CB-CD1 3.77Å; N3-F117 HydrophobicContact CB-CE1 3.57Å; N3-F117 HydrophobicContact CB-CG 4.4Å; N3-F117 HydrophobicContact CB-CZ 4.05Å; N3-F117 WeakPolarHBondContact O-CZ 3.34Å; E4-F117 HydrophobicContact CB-CE2 4.3Å; E4-F117 HydrophobicContact CG-CD2 3.77Å; E4-F117 HydrophobicContact CG-CE2 3.74Å; A7-F117 HydrophobicContact CB-CZ 3.91Å; C99-F117 PolarHBondContact O-N 3.47Å; V101-F117 HydrophobicContact CG2-CE2 4.29Å; A115-F117 HydrophobicContact CB-CE1 4.49Å; A115-F117 HydrophobicContact CB-CE2 3.69Å; A115-F117 HydrophobicContact CB-CZ 3.62Å; F117-N119 PolarHBondContact O-N 3.38Å; F117-I127 HydrophobicContact CD1-CD1 4.1Å; F117-I127 HydrophobicContact CE1-CD1 3.87Å; F117-I127 HydrophobicContact CE1-CG2 4.35Å
118E83.3Confident86.2Confident141 Ų14185.8 Ų85.866%0.65943%0.433SS*.SBendtrans-63.2-30.9176.6-70.4-175.9159.500112.3C99C99-E118 HydrophobicContact CB-CG 4.03Å
119N75.2Confident86.1Confident96 Ų9682.1 Ų82.151%0.51342%0.417SS..  trans-110.7120.1177.3-55.5-60.3000109.4F117 D121 E122F117-N119 PolarHBondContact O-N 3.38Å; N119-D121 PolarHBondContact O-N 3.19Å; N119-E122 HydrophobicContact CB-CG 4.38Å; N119-E122 PolarHBondContact O-N 2.85Å
120E66Low85.9Confident197 Ų19780.7 Ų80.792%0.92141%0.407SS*.THydrogen-bonded Turntrans-66.7-16.2177.8-62.4-171.2166.700112.8E122E120-E122 VanDerWaalsContact C-N 3.31Å; E120-E122 PolarHBondContact O-N 2.88Å
121D67.9Low85.8Confident159 Ų15973.6 Ų73.685%0.8537%0.369SS*.THydrogen-bonded Turntrans-78-9.9178.6-62.8-37.3000113.8N119 N123N119-D121 PolarHBondContact O-N 3.19Å; D121-N123 PolarHBondContact O-N 2.78Å
122E69.8Low85.5Confident41 Ų4172.9 Ų72.919%0.19236%0.359CS..  trans-66109.1175.6-73.1-160.9-175.500110.5N119 E120 K130N119-E122 HydrophobicContact CB-CG 4.38Å; N119-E122 PolarHBondContact O-N 2.85Å; E120-E122 VanDerWaalsContact C-N 3.31Å; E120-E122 PolarHBondContact O-N 2.88Å; E122-K130 IonicContact OE1-NZ 2.61Å; E122-K130 PolarHBondContact OE1-NZ 3.44Å; E122-K130 IonicContact OE2-NZ 2.84Å; E122-K130 PolarHBondContact OE2-NZ 2.94Å
123N78.6Confident85.3Confident98 Ų9879.2 Ų79.252%0.52438%0.382SS..  trans-63.7142.9178.8-174.2-0.8000110.8D121 D125 E126 I127D121-N123 PolarHBondContact O-N 2.78Å; N123-D125 PolarHBondContact O-N 3.45Å; N123-E126 WeakPolarHBondContact O-CB 3.26Å; N123-E126 PolarHBondContact O-N 2.89Å; N123-I127 PolarHBondContact O-N 3.33Å
124K81.4Confident85.1Confident162 Ų16275 Ų7570%0.70436%0.361SS*.Hα-helixtrans-48-33.2176.4-173.3178.5178.7-178.20113.9S128K124-S128 WeakPolarHBondContact O-CB 3.41Å; K124-S128 PolarHBondContact O-N 2.71Å; K124-S128 PolarHBondContact O-OG 3.34Å
125D85.3Confident84.8Confident99 Ų9975.5 Ų75.553%0.52936%0.363SS..Hα-helixtrans-67.1-35.6177.1-70.5-25.6000112.7N123 S128 K129N123-D125 PolarHBondContact O-N 3.45Å; D125-S128 PolarHBondContact O-N 2.92Å; D125-K129 VanDerWaalsContact O-CG 3.28Å; D125-K129 WeakPolarHBondContact O-CG 3.47Å; D125-K129 PolarHBondContact O-N 3.02Å
126E87.3Confident84.6Confident91 Ų9179.2 Ų79.243%0.42538%0.383SS..Hα-helixtrans-70.7-45.5177.7-165.5-176156.300110.9N123 S128 K129 K130N123-E126 WeakPolarHBondContact O-CB 3.26Å; N123-E126 PolarHBondContact O-N 2.89Å; E126-S128 PolarHBondContact O-N 2.87Å; E126-K129 WeakPolarHBondContact O-CB 3.34Å; E126-K129 PolarHBondContact O-N 2.76Å; E126-K129 VanDerWaalsContact O-N 3.09Å; E126-K130 WeakPolarHBondContact O-CG 3.44Å; E126-K130 PolarHBondContact O-N 2.78Å; E126-K130 WeakPolarHBondContact OE1-CE 3.47Å; E126-K130 IonicContact OE1-NZ 3.89Å; E126-K130 PolarHBondContact OE1-NZ 2.86Å; E126-K130 VanDerWaalsContact OE1-NZ 3.12Å
127I87.1Confident84.3Confident28 Ų2884.2 Ų84.214%0.14440%0.403CS..Hα-helixtrans-56.5-45.1173.1-64.1161.4000109.5A115 F117 N123 K129 K130 V131A115-I127 HydrophobicContact CB-CG2 3.96Å; F117-I127 HydrophobicContact CD1-CD1 4.1Å; F117-I127 HydrophobicContact CE1-CD1 3.87Å; F117-I127 HydrophobicContact CE1-CG2 4.35Å; N123-I127 PolarHBondContact O-N 3.33Å; I127-K129 VanDerWaalsContact C-N 3.3Å; I127-K129 PolarHBondContact O-N 3.18Å; I127-K130 PolarHBondContact O-N 3.12Å; I127-V131 HydrophobicContact CG2-CG2 4.32Å; I127-V131 VanDerWaalsContact O-CG2 3.27Å; I127-V131 WeakPolarHBondContact O-CG2 3.4Å; I127-V131 PolarHBondContact O-N 3.11Å
128S88Confident84.2Confident29 Ų2982.7 Ų82.720%0.20340%0.397CS..Hα-helixtrans-60.5-38.4178.4-62.50000112.7R14 K124 D125 E126 T132R14-S128 PolarHBondContact NH1-O 3.33Å; K124-S128 WeakPolarHBondContact O-CB 3.41Å; K124-S128 PolarHBondContact O-N 2.71Å; K124-S128 PolarHBondContact O-OG 3.34Å; D125-S128 PolarHBondContact O-N 2.92Å; E126-S128 PolarHBondContact O-N 2.87Å; S128-T132 PolarHBondContact O-N 3.36Å; S128-T132 PolarHBondContact O-OG1 3.09Å
129K89.7Confident84.4Confident127 Ų12776.8 Ų76.855%0.55237%0.37SS*.Hα-helixtrans-68.5-42.8174.5-71.5166.9-173.71730111.9D125 E126 I127 T132 R133D125-K129 VanDerWaalsContact O-CG 3.28Å; D125-K129 WeakPolarHBondContact O-CG 3.47Å; D125-K129 PolarHBondContact O-N 3.02Å; E126-K129 WeakPolarHBondContact O-CB 3.34Å; E126-K129 PolarHBondContact O-N 2.76Å; E126-K129 VanDerWaalsContact O-N 3.09Å; I127-K129 VanDerWaalsContact C-N 3.3Å; I127-K129 PolarHBondContact O-N 3.18Å; K129-T132 WeakPolarHBondContact O-CB 3.23Å; K129-T132 PolarHBondContact O-N 3.06Å; K129-R133 WeakPolarHBondContact O-CG 3.39Å; K129-R133 PolarHBondContact O-N 3.28Å
130K90Very high84.4Confident50 Ų5075 Ų7522%0.21737%0.366CS..Hα-helixtrans-59.1-46.6175.7-71.1175.1-177.1168.80110.5V114 E122 E126 I127 T132 R133 A134V114-K130 CarbonylContact O-C 3.54Å; E122-K130 IonicContact OE1-NZ 2.61Å; E122-K130 PolarHBondContact OE1-NZ 3.44Å; E122-K130 IonicContact OE2-NZ 2.84Å; E122-K130 PolarHBondContact OE2-NZ 2.94Å; E126-K130 WeakPolarHBondContact O-CG 3.44Å; E126-K130 PolarHBondContact O-N 2.78Å; E126-K130 WeakPolarHBondContact OE1-CE 3.47Å; E126-K130 IonicContact OE1-NZ 3.89Å; E126-K130 PolarHBondContact OE1-NZ 2.86Å; E126-K130 VanDerWaalsContact OE1-NZ 3.12Å; I127-K130 PolarHBondContact O-N 3.12Å; K130-T132 PolarHBondContact O-N 3.04Å; K130-R133 PolarHBondContact O-N 3.49Å; K130-A134 WeakPolarHBondContact O-CB 3.27Å; K130-A134 PolarHBondContact O-N 2.91Å
131V91Very high84.3Confident1 Ų170.3 Ų70.31%0.00635%0.347CS..Hα-helixtrans-61.8-40.5175.5179.30000111.7A7 F10 F11 V114 A115 I127 A134 L135A7-V131 HydrophobicContact CB-CG2 4.47Å; F10-V131 HydrophobicContact CD1-CB 3.99Å; F10-V131 HydrophobicContact CD1-CG1 3.65Å; F10-V131 HydrophobicContact CD1-CG2 4.25Å; F10-V131 HydrophobicContact CE1-CB 4.22Å; F10-V131 HydrophobicContact CE1-CG1 4.18Å; F11-V131 HydrophobicContact CB-CG1 3.94Å; F11-V131 HydrophobicContact CD2-CG1 4.29Å; V114-V131 HydrophobicContact CG1-CB 4.39Å; V114-V131 HydrophobicContact CG1-CG1 4.27Å; V114-V131 HydrophobicContact CG1-CG2 3.9Å; V114-V131 PolarHBondContact O-N 3.4Å; A115-V131 HydrophobicContact CB-CG2 4.45Å; I127-V131 HydrophobicContact CG2-CG2 4.32Å; I127-V131 VanDerWaalsContact O-CG2 3.27Å; I127-V131 WeakPolarHBondContact O-CG2 3.4Å; I127-V131 PolarHBondContact O-N 3.11Å; V131-A134 WeakPolarHBondContact O-CB 3.41Å; V131-A134 PolarHBondContact O-N 3.41Å; V131-L135 PolarHBondContact O-N 3.02Å
132T90.4Very high83.7Confident41 Ų4169.7 Ų69.725%0.25233%0.333SS..Hα-helixtrans-61.1-48.8174.7-47.20000111.4R14 S128 K129 K130 A134 L135 D136R14-T132 PolarHBondContact NH1-OG1 2.99Å; R14-T132 PolarHBondContact NH2-OG1 2.67Å; R14-T132 VanDerWaalsContact NH2-OG1 3.17Å; S128-T132 PolarHBondContact O-N 3.36Å; S128-T132 PolarHBondContact O-OG1 3.09Å; K129-T132 WeakPolarHBondContact O-CB 3.23Å; K129-T132 PolarHBondContact O-N 3.06Å; K130-T132 PolarHBondContact O-N 3.04Å; T132-A134 VanDerWaalsContact C-N 3.29Å; T132-A134 PolarHBondContact O-N 3.44Å; T132-L135 WeakPolarHBondContact O-CA 3.46Å; T132-L135 WeakPolarHBondContact O-CB 2.97Å; T132-L135 PolarHBondContact O-N 3.23Å; T132-D136 PolarHBondContact O-N 3.26Å
133R91Very high82.8Confident167 Ų16774.7 Ų74.763%0.6336%0.357SS*.Hα-helixtrans-61-41179.9-70.4171.4179.9171.9-0.6111.6K129 K130 L135 D136 K137K129-R133 WeakPolarHBondContact O-CG 3.39Å; K129-R133 PolarHBondContact O-N 3.28Å; K130-R133 PolarHBondContact O-N 3.49Å; R133-L135 VanDerWaalsContact C-N 3.32Å; R133-D136 PolarHBondContact O-N 2.96Å; R133-K137 WeakPolarHBondContact O-CG 3.48Å; R133-K137 PolarHBondContact O-N 3.47Å; R133-K137 VanDerWaalsContact O-N 3.17Å
134A90.7Very high81.3Confident3 Ų374.7 Ų74.73%0.02536%0.364CS..Hα-helixtrans-57.2-45.4172.800000111.7F11 F112 V114 K130 V131 T132 K137 V138F11-A134 HydrophobicContact CE2-CB 4.45Å; F112-A134 HydrophobicContact CD2-CB 4.12Å; F112-A134 HydrophobicContact CE2-CB 3.51Å; V114-A134 HydrophobicContact CB-CB 4.36Å; V114-A134 HydrophobicContact CG1-CB 4.27Å; V114-A134 HydrophobicContact CG2-CB 4.1Å; K130-A134 WeakPolarHBondContact O-CB 3.27Å; K130-A134 PolarHBondContact O-N 2.91Å; V131-A134 WeakPolarHBondContact O-CB 3.41Å; V131-A134 PolarHBondContact O-N 3.41Å; T132-A134 VanDerWaalsContact C-N 3.29Å; T132-A134 PolarHBondContact O-N 3.44Å; A134-K137 WeakPolarHBondContact O-CB 3.44Å; A134-K137 PolarHBondContact O-N 3.41Å; A134-V138 WeakPolarHBondContact O-CG2 3.37Å; A134-V138 PolarHBondContact O-N 3.33Å
135L90.5Very high79.5Confident9 Ų970.8 Ų70.85%0.04737%0.37CS..Hα-helixtrans-64.1-42.4177.1178.670.8000112.8F11 R14 L15 V131 T132 R133 K137 V138 T139F11-L135 HydrophobicContact CE2-CB 4.3Å; F11-L135 HydrophobicContact CE2-CD1 4.33Å; R14-L135 HydrophobicContact CB-CD2 3.38Å; R14-L135 HydrophobicContact CG-CD2 4.38Å; L15-L135 HydrophobicContact CB-CD1 3.63Å; L15-L135 HydrophobicContact CD1-CD1 3.85Å; L15-L135 HydrophobicContact CG-CD1 4.07Å; V131-L135 PolarHBondContact O-N 3.02Å; T132-L135 WeakPolarHBondContact O-CA 3.46Å; T132-L135 WeakPolarHBondContact O-CB 2.97Å; T132-L135 PolarHBondContact O-N 3.23Å; R133-L135 VanDerWaalsContact C-N 3.32Å; L135-K137 PolarHBondContact O-N 2.98Å; L135-V138 PolarHBondContact O-N 3.04Å; L135-T139 HydrophobicContact CD1-CG2 3.86Å; L135-T139 HydrophobicContact CG-CG2 4.27Å; L135-T139 WeakPolarHBondContact O-CB 3.44Å; L135-T139 WeakPolarHBondContact O-CG2 3.48Å; L135-T139 PolarHBondContact O-N 3.36Å; L135-T139 PolarHBondContact O-OG1 3.03Å
136D89.6Confident77.1Confident78 Ų7871.4 Ų71.442%0.41738%0.382SS..Hα-helixtrans-60.8-37.7179.1-66.9-31.4000111T132 R133 V138 T139 S140T132-D136 PolarHBondContact O-N 3.26Å; R133-D136 PolarHBondContact O-N 2.96Å; D136-V138 PolarHBondContact O-N 3.4Å; D136-T139 PolarHBondContact O-N 3.15Å; D136-S140 WeakPolarHBondContact O-CB 3.38Å; D136-S140 PolarHBondContact O-N 3.28Å; D136-S140 PolarHBondContact O-OG 3.49Å
137K88.5Confident75.2Confident119 Ų11972.5 Ų72.552%0.51740%0.4SS..Hα-helixtrans-61.5-40172.1-69177.3178.6-173.20113F112 R133 A134 L135 T139 S140F112-K137 HydrophobicContact CD2-CD 4.44Å; F112-K137 HydrophobicContact CG-CD 4.42Å; F112-K137 HydrophobicContact CZ-CB 4.38Å; R133-K137 WeakPolarHBondContact O-CG 3.48Å; R133-K137 PolarHBondContact O-N 3.47Å; R133-K137 VanDerWaalsContact O-N 3.17Å; A134-K137 WeakPolarHBondContact O-CB 3.44Å; A134-K137 PolarHBondContact O-N 3.41Å; L135-K137 PolarHBondContact O-N 2.98Å; K137-T139 VanDerWaalsContact C-N 3.32Å; K137-S140 PolarHBondContact O-OG 2.98Å
138V87.7Confident73.1Confident1 Ų175.5 Ų75.51%0.00642%0.423CS..Hα-helixtrans-71.7-28.1179.51740000112.5F11 L15 P89 Y105 F112 A134 L135 D136F11-V138 HydrophobicContact CE2-CG2 4.28Å; F11-V138 HydrophobicContact CZ-CB 4.45Å; F11-V138 HydrophobicContact CZ-CG2 3.9Å; L15-V138 HydrophobicContact CD1-CG1 3.91Å; P89-V138 HydrophobicContact CG-CG1 3.43Å; P89-V138 VanDerWaalsContact CG-CG1 3.43Å; Y105-V138 HydrophobicContact CD2-CB 4.4Å; Y105-V138 HydrophobicContact CD2-CG1 3.73Å; Y105-V138 HydrophobicContact CE2-CG1 4.17Å; Y105-V138 WeakPolarHBondContact CE2-O 3.27Å; Y105-V138 HydrophobicContact CG-CB 4.5Å; Y105-V138 HydrophobicContact CG-CG1 4.3Å; Y105-V138 HydrophobicContact CG-CG2 4.43Å; F112-V138 HydrophobicContact CZ-CG2 3.79Å; A134-V138 WeakPolarHBondContact O-CG2 3.37Å; A134-V138 PolarHBondContact O-N 3.33Å; L135-V138 PolarHBondContact O-N 3.04Å; D136-V138 PolarHBondContact O-N 3.4Å
139T86Confident71.1Confident17 Ų1779.2 Ų79.210%0.10445%0.449CS..Hα-helixtrans-111-13.1-167.556.60000114.3L15 K18 L135 D136 K137 Y142L15-T139 HydrophobicContact CD1-CG2 4.39Å; K18-T139 HydrophobicContact CD-CG2 4.05Å; K18-T139 PolarHBondContact NZ-OG1 3.48Å; L135-T139 HydrophobicContact CD1-CG2 3.86Å; L135-T139 HydrophobicContact CG-CG2 4.27Å; L135-T139 WeakPolarHBondContact O-CB 3.44Å; L135-T139 WeakPolarHBondContact O-CG2 3.48Å; L135-T139 PolarHBondContact O-N 3.36Å; L135-T139 PolarHBondContact O-OG1 3.03Å; D136-T139 PolarHBondContact O-N 3.15Å; K137-T139 VanDerWaalsContact C-N 3.32Å; T139-Y142 PolarHBondContact O-N 3.44Å
140S76.1Confident69Low59 Ų5979.7 Ų79.741%0.41346%0.458SS..G310 helixtrans-66.1-36.6179.342.60000113.3D136 K137 Y142 H143D136-S140 WeakPolarHBondContact O-CB 3.38Å; D136-S140 PolarHBondContact O-N 3.28Å; D136-S140 PolarHBondContact O-OG 3.49Å; K137-S140 PolarHBondContact O-OG 2.98Å; S140-Y142 PolarHBondContact O-N 3.15Å; S140-H143 PolarHBondContact O-N 3.29Å
141D63.6Low67Low97 Ų9786 Ų8652%0.51949%0.488SS..G310 helixtrans-70.1-15.8179.7-65.3-19.8000113.2Y105 H143Y105-D141 HydrophobicContact CE1-CB 4.21Å; Y105-D141 WeakPolarHBondContact CE1-OD2 3.35Å; D141-H143 VanDerWaalsContact C-N 3.29Å; D141-H143 PolarHBondContact O-N 3.04Å
142Y55Low64.2Low147 Ų14795 Ų9558%0.57653%0.53SS*.G310 helixtrans-80.4-8.1-179.7-126.7-92.2000113.4T139 S140T139-Y142 PolarHBondContact O-N 3.44Å; S140-Y142 PolarHBondContact O-N 3.15Å
143H52.2Low61.4Low146 Ų14699 Ų9968%0.67655%0.554SS**SBendtrans-115.60.6-178.8-65.29.9000113.4S140 D141 G145S140-H143 PolarHBondContact O-N 3.29Å; D141-H143 VanDerWaalsContact C-N 3.29Å; D141-H143 PolarHBondContact O-N 3.04Å; H143-G145 VanDerWaalsContact C-N 3.25Å; H143-G145 PolarHBondContact O-N 3.48Å
144S46.8Very low58.5Low97 Ų9795.9 Ų95.968%0.67856%0.557SS**  trans-88.613.4175.3-58.90000113.4S146S144-S146 VanDerWaalsContact C-N 3.27Å; S144-S146 PolarHBondContact O-N 3.22Å
145G43.3Very low56Low81 Ų81105.1 Ų105.184%0.83560%0.597SS**  trans-77.269.1178.800000113.2H143H143-G145 VanDerWaalsContact C-N 3.25Å; H143-G145 PolarHBondContact O-N 3.48Å
146S35Very low53.4Low112 Ų112113.9 Ų113.978%0.78364%0.637SS**  trans-123.7107.8154.2-160.30000109.2S144S144-S146 VanDerWaalsContact C-N 3.27Å; S144-S146 PolarHBondContact O-N 3.22Å
147S47.5Very low50.9Low113 Ų113117.2 Ų117.279%0.7966%0.66SS**  trans52.1115.2157.1-1590000121.4
148S43.4Very low48.4Very low92 Ų92120 Ų12064%0.64368%0.675SS**  -166.1118.9101.6-161.30000110.3D150S148-D150 PolarHBondContact OG-OD2 3.08Å
149S44.9Very low45.8Very low106 Ų106125.8 Ų125.874%0.74171%0.71SS**  trans-84.7119.9162.952.10000108.3
150D44.8Very low43.4Very low137 Ų137134.4 Ų134.473%0.73375%0.746SS**  trans-133.386161.6-63-67.4000107.1S148S148-D150 PolarHBondContact OG-OD2 3.08Å
151E48.8Very low42.5Very low182 Ų182136.3 Ų136.385%0.8576%0.757SS**  trans-61.2122.2144.1-67.7-79.5139.200105.5
152E33.3Very low41.1Very low192 Ų192138.7 Ų138.790%0.89777%0.77SS**  trans-159.8123.9145.1-79.9-128.1162.800111
153T31.6Very low39.9Very low124 Ų124136.6 Ų136.676%0.76178%0.777SS**  trans-83.6132162-66.40000108
154C30.3Very low39.2Very low101 Ų101135.9 Ų135.968%0.68278%0.782SS**  trans161127.7132.8-85.50000114.3
155K36.2Very low38.5Very low197 Ų197135.8 Ų135.886%0.85779%0.788SS**  trans65.7128.4133.6-60.4180-178.8178.30121.5
156E37.8Very low38Very low193 Ų193135.9 Ų135.990%0.90278%0.78SS**  trans-49.3136.5158.1-69.2170.4128.300112.6
157V36.3Very low38.3Very low148 Ų148136.9 Ų136.990%0.89778%0.782SS**  trans-151.8136.8133.7-1790000108.9
158E36.2Very low38.2Very low177 Ų177136.7 Ų136.783%0.82778%0.778SS**  trans-88.1167-179.5-165.9-176.716500113
159V32.2Very low37.6Very low123 Ų123137.8 Ų137.875%0.74579%0.786SS**  trans114.392.4151.7-166.30000118.4
160K37.1Very low37.6Very low199 Ų199138.2 Ų138.287%0.86579%0.786SS**  48.4162.8116.3-103.3-168.2179.8175.80123.7
161P57Low37.1Very low99 Ų99137.5 Ų137.564%0.64379%0.786SS**  -127.7180-115.940.7-21000116.1
162N32.4Very low36.5Very low147 Ų147139.3 Ų139.379%0.78679%0.787SS**  trans164.6119.4141.2-87.7-10.2000113.5
163S31.7Very low36.4Very low103 Ų103138.6 Ų138.672%0.7278%0.783SS**  71.8131.5109.674.60000116.3
164V36.2Very low36.4Very low131 Ų131140.4 Ų140.479%0.79479%0.787SS**  -175.2146.159.9173.70000112.1
165A32.6Very low36.5Very low95 Ų95141 Ų14179%0.78579%0.792SS**  trans60.4151.4149.600000124
166A32.5Very low36.5Very low82 Ų82139.4 Ų139.468%0.67879%0.787SS**  cis-175.7168-17.300000111.9
167T40.8Very low36.5Very low134 Ų134136.5 Ų136.582%0.82278%0.777SS**  trans94.7156.915783.20000119.4
168P46.6Very low36.4Very low108 Ų108137.3 Ų137.370%0.70178%0.775SS**  -138.6157.1-8833.4-11.1000118.4
169S31.4Very low36.6Very low116 Ų116138 Ų13881%0.81178%0.775SS**  trans67.8159151.264.30000120.4
170P44.4Very low37.1Very low115 Ų115137 Ų13775%0.74777%0.771SS**  cis-129.3170.29.139.8-21.6000117.3
171V33.2Very low37.3Very low121 Ų121133.8 Ų133.873%0.73377%0.771SS**  trans-69.6133.4-179.2173.60000112.3
172Y36.7Very low36.6Very low221 Ų221136.4 Ų136.487%0.86778%0.779SS**  trans-135.6132.3143.1-78.1-75000110.9
173Q32.1Very low37Very low177 Ų177134.5 Ų134.583%0.82777%0.774SS**  trans-56.6129.9-177-117.4153.1-37.800112.8
174I30.4Very low37.3Very low162 Ų162137 Ų13783%0.83178%0.777SS**  trans-92.3110.5163.1-65.5169.7000106.9E176I174-E176 PolarHBondContact O-N 2.65Å
175S33.8Very low37.9Very low112 Ų112142.5 Ų142.578%0.78378%0.783SS**  trans-75.8118.5168.5-35.90000108.9
176E35.6Very low38.4Very low164 Ų164145.8 Ų145.877%0.76678%0.782SS**  trans-65.8129.7167.6-81.7-175.3157.200111.5I174I174-E176 PolarHBondContact O-N 2.65Å
177L37.3Very low39Very low132 Ų132147.7 Ų147.769%0.69179%0.788SS**  63.3126.2129.9-54.2171.2000119.4
178I34.2Very low39.1Very low165 Ų165148.9 Ų148.985%0.84679%0.788SS**  -160.9106.6109.7-80.6137.2000106.8
179F40.8Very low38.8Very low191 Ų191149.4 Ų149.484%0.83879%0.792SS**  trans-105.5136.7160.1-76.4-81.2000107.7
180P43.1Very low39.4Very low102 Ų102155.4 Ų155.466%0.66280%0.796SS**PPolyproline II helixtrans-65.4148.7175.527.7-33.1000110.5L182P180-L182 PolarHBondContact O-N 3.45Å
181P40Very low39.2Very low132 Ų132159.7 Ų159.786%0.85780%0.803SS**PPolyproline II helixtrans-69.5120.3-179.628.1-31.8000110
182L42.7Very low39.7Very low155 Ų155162.8 Ų162.881%0.81281%0.807SS**PPolyproline II helixtrans-80.1149.7167.8-76.5174000110.6P180 M184P180-L182 PolarHBondContact O-N 3.45Å; L182-M184 PolarHBondContact O-N 3.44Å
183P41.9Very low39.7Very low106 Ų106158 Ų15869%0.68880%0.803SS**PPolyproline II helixtrans-65126-162.523-32.6000112.8W185P183-W185 PolarHBondContact O-N 3.05Å
184M37.6Very low39.9Very low157 Ų157155.5 Ų155.577%0.77379%0.794SS**PPolyproline II helixtrans-65.7119.2171.5-66-162.1-59.600109.9L182 H186L182-M184 PolarHBondContact O-N 3.44Å; M184-H186 PolarHBondContact O-N 3.27Å; M184-H186 VanDerWaalsContact O-N 3.12Å
185W47.9Very low40.2Very low246 Ų246156.5 Ų156.593%0.93280%0.797SS**  trans-67.8106.8167.1-73.379.2000108.7P183 P187P183-W185 PolarHBondContact O-N 3.05Å; W185-P187 VanDerWaalsContact O-CD 3.27Å; W185-P187 WeakPolarHBondContact O-CD 2.9Å
186H44Very low40.2Very low164 Ų164161 Ų16176%0.75980%0.799SS**PPolyproline II helixtrans-63.2122172.1-67.1-67.1000109.7M184 L188M184-H186 PolarHBondContact O-N 3.27Å; M184-H186 VanDerWaalsContact O-N 3.12Å; H186-L188 PolarHBondContact O-N 2.93Å
187P44.7Very low40.1Very low122 Ų122164.8 Ų164.879%0.79281%0.806SS**PPolyproline II helixtrans-63.4124164.7-15.329.9000108.1W185W185-P187 VanDerWaalsContact O-CD 3.27Å; W185-P187 WeakPolarHBondContact O-CD 2.9Å
188L43.4Very low39.8Very low158 Ų158161.4 Ų161.483%0.82780%0.803SS**PPolyproline II helixtrans-51.2139.3170.5-73.3166.2000109.8H186 R190H186-L188 PolarHBondContact O-N 2.93Å; L188-R190 PolarHBondContact O-N 3.24Å
189P40.8Very low39.8Very low120 Ų120161.9 Ų161.978%0.77981%0.807SS**  trans-64.8110-176.523.9-31000110.1K191P189-K191 PolarHBondContact O-N 3.42Å; P189-K191 VanDerWaalsContact O-N 3.11Å
190R44Very low39.3Very low241 Ų241156 Ų15691%0.90980%0.801SS**  trans-61.3110162.2-83.1-178.3163.3172.4-4.3107.7L188 K192L188-R190 PolarHBondContact O-N 3.24Å; R190-K192 PolarHBondContact O-N 2.73Å; R190-K192 VanDerWaalsContact O-N 3.12Å
191K40.3Very low38.9Very low205 Ų205158.7 Ų158.789%0.89181%0.809SS**  trans-59115.3168.1-73.3-174.6176.2-178.90108.2P189P189-K191 PolarHBondContact O-N 3.42Å; P189-K191 VanDerWaalsContact O-N 3.11Å
192K42.5Very low38.8Very low186 Ų186161.3 Ų161.381%0.80981%0.81SS**PPolyproline II helixtrans-66141.2170.6-64.7-178.3180179.80108.8R190 I194R190-K192 PolarHBondContact O-N 2.73Å; R190-K192 VanDerWaalsContact O-N 3.12Å; K192-I194 PolarHBondContact O-N 3.02Å
193P37Very low38.4Very low121 Ų121159.4 Ų159.479%0.78681%0.81SS**PPolyproline II helixtrans-66.2124.4164.5-7.122.9000107.8M195P193-M195 PolarHBondContact O-N 3.14Å
194I36.5Very low38.5Very low125 Ų125162.8 Ų162.864%0.64182%0.816SS**PPolyproline II helixtrans-65.2116.2170.5-73.4170.1000107.5K192 Y196K192-I194 PolarHBondContact O-N 3.02Å; I194-Y196 HydrophobicContact CB-CE2 4.3Å; I194-Y196 HydrophobicContact CG2-CD1 4.48Å; I194-Y196 HydrophobicContact CG2-CD2 3.58Å; I194-Y196 HydrophobicContact CG2-CE1 4.28Å; I194-Y196 HydrophobicContact CG2-CE2 3.35Å; I194-Y196 HydrophobicContact CG2-CG 4.16Å; I194-Y196 PolarHBondContact O-N 3.4Å
195M35.6Very low38.6Very low183 Ų183166 Ų16690%0.90182%0.821SS**  trans-79.5111.2163.4-62.5-163.292.300107.8P193P193-M195 PolarHBondContact O-N 3.14Å
196Y33.5Very low38.9Very low206 Ų206159.7 Ų159.781%0.80881%0.812SS**PPolyproline II helixtrans-81118.3164.5-77.7-80.3000108.9I194 G198I194-Y196 HydrophobicContact CB-CE2 4.3Å; I194-Y196 HydrophobicContact CG2-CD1 4.48Å; I194-Y196 HydrophobicContact CG2-CD2 3.58Å; I194-Y196 HydrophobicContact CG2-CE1 4.28Å; I194-Y196 HydrophobicContact CG2-CE2 3.35Å; I194-Y196 HydrophobicContact CG2-CG 4.16Å; I194-Y196 PolarHBondContact O-N 3.4Å; Y196-G198 PolarHBondContact O-N 3.22Å
197R35.3Very low39.4Very low243 Ų243157.5 Ų157.592%0.91781%0.812SS**PPolyproline II helixtrans-62.3123.6167.1-178.4-174.1-76.9-120.12108.1
198G30.5Very low39.6Very low61 Ų61157.7 Ų157.763%0.62981%0.813SS**PPolyproline II helixtrans-71.5145.9174.300000112.4Y196Y196-G198 PolarHBondContact O-N 3.22Å
199N33Very low39.6Very low175 Ų175156.9 Ų156.994%0.93681%0.809SS**  trans-173.1129135.5-104.919.4000110.4
200G32Very low39.8Very low68 Ų68157 Ų15770%0.70181%0.809SS**  trans106.6105.914800000118.8
201N33.1Very low39.5Very low159 Ų159155.6 Ų155.685%0.8581%0.81SS**  trans78113.9141.9-64.77.6000122.4
202Q38Very low39.2Very low186 Ų186148.6 Ų148.687%0.86980%0.796SS**  trans9.8119.4143-69.1169.7100119.2
203S34Very low38.9Very low115 Ų115150.6 Ų150.680%0.80480%0.8SS**  178.6140.2115.6-860000112
204H44Very low39.3Very low178 Ų178150.8 Ų150.882%0.82480%0.802SS**  trans-58.5123.8175.7-69.8-73.1000113.1
205Y40Very low39.1Very low223 Ų223152.7 Ų152.788%0.87581%0.813SS**  trans-161.4139.8142.9-76.5-67.1000110
206P55.6Low39.3Very low115 Ų115153 Ų15375%0.74781%0.812SS**PPolyproline II helixtrans-77.9152.7173.732.2-31.9000111.3
207P54.3Low39.5Very low117 Ų117146.6 Ų146.676%0.7681%0.809SS**PPolyproline II helixtrans-72.7150.5179.530.2-33.9000112.1
208P48.7Very low39.7Very low126 Ų126146.4 Ų146.482%0.81881%0.808SS**PPolyproline II helixtrans-76138.4-179.229.8-32.2000112.3
209I43.9Very low40.4Very low142 Ų142153 Ų15373%0.72882%0.82SS**PPolyproline II helixtrans-80.8130175-59.5170.6000109F211I209-F211 PolarHBondContact O-N 3.29Å
210P45Very low40.5Very low122 Ų122152.7 Ų152.779%0.79282%0.818SS**PPolyproline II helixtrans-72.5116.3167.2-12.928.3000110.3
211F37.3Very low41.1Very low212 Ų212158.3 Ų158.393%0.9382%0.823SS**PPolyproline II helixtrans-70137.7170.4-92.2-97.2000111.3I209I209-F211 PolarHBondContact O-N 3.29Å
212G32.9Very low41.7Very low58 Ų58156.4 Ų156.460%0.59882%0.819SS**  trans137.962.5142.900000118.8
213Y37.1Very low41.9Very low228 Ų228159 Ų15989%0.89482%0.823SS**  trans-145.6137.3143.2-76.2-74.4000109.7N215Y213-N215 PolarHBondContact O-N 3.48Å
214P44.9Very low42.6Very low125 Ų125164 Ų16481%0.81282%0.824SS**  trans-74.6125.8-16926.8-31.5000112.8Q216P214-Q216 PolarHBondContact O-N 3.04Å
215N32.3Very low42.6Very low164 Ų164161.6 Ų161.688%0.87782%0.824SS**  trans-69.2115.2167.9-93.1-50.2000110.5Y213Y213-N215 PolarHBondContact O-N 3.48Å
216Q40.8Very low42.7Very low189 Ų189158.3 Ų158.388%0.88382%0.82SS**  trans-97.5102.8149.8-76.2-167.41.600108.3P214 R218P214-Q216 PolarHBondContact O-N 3.04Å; Q216-R218 PolarHBondContact O-N 3.03Å
217G35.9Very low42.3Very low72 Ų72157.9 Ų157.974%0.74282%0.817SS**  trans-64.9126.7173.400000111.3
218R39.9Very low41.8Very low240 Ų240159.2 Ų159.291%0.90682%0.823SS**  trans-133.3123.3151.5-79-167-177.8-1782.6110.1Q216Q216-R218 PolarHBondContact O-N 3.03Å
219K45Very low41.8Very low200 Ų200159 Ų15987%0.8782%0.819SS**  trans-58.9135.8179.8-61.2172177.9178.60110.2K221K219-K221 PolarHBondContact O-N 3.37Å
220N35.3Very low42Very low167 Ų167162.6 Ų162.689%0.89382%0.824SS**  trans-53.3117.4170.9-65.7-17.9000110.1
221K45.9Very low42.4Very low186 Ų186162.6 Ų162.681%0.80982%0.821SS**  trans-105.5136.3162.3-72.8-176.2178.8-177.90107.9K219 Y223K219-K221 PolarHBondContact O-N 3.37Å; K221-Y223 PolarHBondContact O-N 2.92Å
222P44Very low43.4Very low119 Ų119155.9 Ų155.977%0.77380%0.799SS**  trans-68.9131.6177.127.7-31.7000110.2R224P222-R224 PolarHBondContact O-N 2.85Å
223Y42.6Very low44.6Very low240 Ų240156.9 Ų156.994%0.94180%0.795SS**  trans-61.9122.5171.2-106.6-102.6000109.6K221K221-Y223 PolarHBondContact O-N 2.92Å
224R49.4Very low45.1Very low220 Ų220152.6 Ų152.683%0.8380%0.795SS**  trans-105.6136.7160.6-72.6-167.9-176.6-144.52.6108.1P222 I226P222-R224 PolarHBondContact O-N 2.85Å; R224-I226 PolarHBondContact O-N 3.03Å
225P43.4Very low45.7Very low129 Ų129150.7 Ų150.784%0.83880%0.799SS**PPolyproline II helixtrans-67.2129.8172.7-12.126.4000110.1
226I43.3Very low46.4Very low154 Ų154148.1 Ų148.179%0.7978%0.782SS**PPolyproline II helixtrans-87.9129.9168.1-60.1172.4000107.1R224 V228R224-I226 PolarHBondContact O-N 3.03Å; I226-V228 PolarHBondContact O-N 3.2Å
227P45.6Very low46.9Very low105 Ų105147.5 Ų147.568%0.68278%0.779SS**PPolyproline II helixtrans-70.9123.8173.728.3-30.4000109.5T229P227-T229 PolarHBondContact O-N 3.49Å; P227-T229 VanDerWaalsContact O-N 3.11Å
228V45.2Very low47.4Very low145 Ų145149.4 Ų149.488%0.87978%0.78SS**  trans-68.9101169-109.40000108.4I226 W230I226-V228 PolarHBondContact O-N 3.2Å; V228-W230 PolarHBondContact O-N 3.42Å
229T48.2Very low47.7Very low121 Ų121144.3 Ų144.374%0.74277%0.77SS**  trans-76.5107.7165.647.30000108.3P227 V231P227-T229 PolarHBondContact O-N 3.49Å; P227-T229 VanDerWaalsContact O-N 3.11Å; T229-V231 PolarHBondContact O-N 3.05Å
230W47.9Very low48Very low219 Ų219146 Ų14683%0.8377%0.771SS**PPolyproline II helixtrans-68.8117.4173.8-138.992.7000108.8V228 P232V228-W230 PolarHBondContact O-N 3.42Å; W230-P232 HydrophobicContact CZ3-CB 4.45Å
231V53.3Low48.7Very low121 Ų121144.4 Ų144.473%0.73376%0.763SS**PPolyproline II helixtrans-98.7119.1174.3179.70000107.7T229T229-V231 PolarHBondContact O-N 3.05Å
232P59.2Low48.8Very low71 Ų71143.8 Ų143.846%0.46176%0.762SS.*PPolyproline II helixtrans-72.5155.7178.828.2-31.9000112W230W230-P232 HydrophobicContact CZ3-CB 4.45Å
233P56.4Low49.3Very low79 Ų79149 Ų14951%0.51377%0.767SS.*PPolyproline II helixtrans-61.4154.7178.5-18.930.6000112.9G235P233-G235 PolarHBondContact O-N 3.45Å
234P47.9Very low49.5Very low139 Ų139145 Ų14590%0.90376%0.76SS**THydrogen-bonded Turntrans-59.5126.8177.1-17.229.2000111.1
235G57.7Low49.4Very low85 Ų85140.6 Ų140.688%0.87675%0.753SS**THydrogen-bonded Turntrans116.1-0.717500000116.1P233P233-G235 PolarHBondContact O-N 3.45Å
236M47.9Very low49.6Very low109 Ų109139.9 Ų139.954%0.53775%0.749SS.*  trans-99.7100.8173.2-69.4175.66900110.3W243M236-W243 HydrophobicContact CE-CE3 4.38Å; M236-W243 HydrophobicContact CE-CH2 4.21Å; M236-W243 HydrophobicContact CE-CZ3 3.46Å; M236-W243 VanDerWaalsContact CE-CZ3 3.46Å
237H51.1Low49.9Very low177 Ų177141 Ų14182%0.81975%0.75SS**  trans-86124.9170.5-146.7-88.5000108.8
238C45.7Very low50Low111 Ų111144.5 Ų144.575%0.7576%0.76SS**  trans-104.299.5-18047.50000110.4
239D47Very low50.1Low133 Ų133145.7 Ų145.771%0.71176%0.76SS**  trans-89.2135.7159.8-80-32.7000109.8N241D239-N241 PolarHBondContact O-N 3.3Å
240R51.1Low49.9Very low236 Ų236144.5 Ų144.589%0.89176%0.762SS**SBendtrans-63.598.5-172-171175.6-179.5-175.5-0.6109.5
241N50.5Low50.6Low133 Ų133140 Ų14071%0.71176%0.762SS**SBendtrans106.7102.1172.8-51.9-21.1000113.1D239D239-N241 PolarHBondContact O-N 3.3Å
242H48.3Very low50.4Low173 Ų173147 Ų14780%0.80179%0.786SS**  trans115119.8167.3-62.182.7000114.5
243W52.9Low50Low229 Ų229150.9 Ų150.987%0.86780%0.802SS**  trans-90.1111.2169.1-6491.4000108.5M236M236-W243 HydrophobicContact CE-CE3 4.38Å; M236-W243 HydrophobicContact CE-CH2 4.21Å; M236-W243 HydrophobicContact CE-CZ3 3.46Å; M236-W243 VanDerWaalsContact CE-CZ3 3.46Å
244I47.2Very low49.6Very low155 Ų155154.6 Ų154.680%0.79582%0.817SS**  trans-106.5126.2174.8-60.4174.5000108.2
245N46.7Very low49.7Very low129 Ų129155.5 Ų155.569%0.6981%0.812SS**  trans-86.9128-177.7-148.1-2000109.7H247N245-H247 PolarHBondContact O-N 3.02Å
246P48.3Very low49.2Very low114 Ų114159.6 Ų159.674%0.7481%0.809SS**THydrogen-bonded Turntrans-74.18.4-169.4-1630000117
247H49.4Very low49.3Very low177 Ų177162.8 Ų162.882%0.81983%0.826SS**THydrogen-bonded Turntrans-103.219.9-172.8-83.6-72.4000115.5N245N245-H247 PolarHBondContact O-N 3.02Å
248M49.2Very low49.2Very low179 Ų179161.9 Ų161.988%0.88283%0.826SS**  trans-116.451.9178.3-76.3-89.6177.200112.8
249L46.2Very low49.5Very low170 Ų170165.5 Ų165.589%0.8983%0.832SS**  trans-12694.3163-73.8171000108.8
250A44.4Very low49.6Very low95 Ų95168 Ų16879%0.78584%0.841SS**  trans-83140.3162.900000109
251P63Low49.5Very low126 Ų126162.3 Ų162.382%0.81884%0.837SS**  trans-86.7149.9167.212.74.3000111.6
252H48.2Very low49.4Very low268 Ų268165 Ų165100%1.24185%0.848SS**  trans-560174.1-76.3-86.8000114.7

Retrieved 252 of 252 residues in 226.6 ms (Link to these results)

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