BEND5_HUMAN Loading...

BEN domain-containing protein 5

Acts as a transcriptional repressor1.

AlphaFold DB , UniProt , Accession Q7L4P6, Species HUMAN (Homo sapiens, Human), Gene BEND5, Length 421 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
1M88.7Confident89.6Confident72 Ų7248.7 Ų48.736%0.35523%0.231SC..  0133.70-161.3177.1-74.900108.9V18 P26 L74 A75 E76M1-V18 HydrophobicContact CB-CG2 4.06Å; M1-V18 HydrophobicContact CG-CG2 4.05Å; M1-V18 WeakPolarHBondContact O-CG2 3.34Å; M1-V18 PolarHBondContact O-N 3.2Å; M1-P26 HydrophobicContact SD-CB 4.05Å; M1-P26 HydrophobicContact SD-CG 3.65Å; M1-L74 HydrophobicContact SD-CB 4.22Å; M1-L74 HydrophobicContact SD-CD1 4.15Å; M1-A75 CarbonylContact C-O 3.46Å; M1-A75 WeakPolarHBondContact CA-O 3.35Å; M1-A75 WeakPolarHBondContact CG-O 3.27Å; M1-E76 VanDerWaalsContact CA-O 3.3Å; M1-E76 WeakPolarHBondContact CA-O 3.25Å; M1-E76 PolarHBondContact N-O 3.47Å; M1-E76 VanDerWaalsContact N-O 3.17Å
2Y91.9Very high89.4Confident74 Ų7449.2 Ų49.229%0.2924%0.239SC..EExtended strand (participates in β ladder)trans-116.8147.4178.9-71.6-98.9000109.6L16 P17 L74 A75 K78Y2-L16 CarbonylContact C-O 3.51Å; Y2-L16 WeakPolarHBondContact CA-O 2.88Å; Y2-P17 HydrophobicContact CD1-CG 4.32Å; Y2-P17 HydrophobicContact CE1-CB 4.44Å; Y2-P17 HydrophobicContact CE1-CG 3.88Å; Y2-L74 WeakPolarHBondContact O-CA 3.48Å; Y2-A75 PolarHBondContact N-O 2.89Å; Y2-A75 PolarHBondContact O-N 3.09Å; Y2-K78 HydrophobicContact CD1-CB 4.04Å; Y2-K78 HydrophobicContact CD1-CG 4.33Å; Y2-K78 HydrophobicContact CD2-CB 4.1Å; Y2-K78 HydrophobicContact CE1-CB 3.94Å; Y2-K78 HydrophobicContact CE1-CD 4.32Å; Y2-K78 HydrophobicContact CE1-CG 4.32Å; Y2-K78 HydrophobicContact CE2-CB 4.01Å; Y2-K78 HydrophobicContact CG-CB 4.13Å
3A91.7Very high89.4Confident0 Ų048.8 Ų48.80%024%0.244CC..EExtended strand (participates in β ladder)trans-111.1133.8174.100000110.3V5 L16 V18 V21 I71 L74A3-V5 HydrophobicContact CB-CG1 3.99Å; A3-L16 PolarHBondContact N-O 2.8Å; A3-L16 PolarHBondContact O-N 2.78Å; A3-V18 HydrophobicContact CB-CG2 4.15Å; A3-V21 HydrophobicContact CB-CG2 4.41Å; A3-I71 HydrophobicContact CB-CG2 4.35Å; A3-L74 HydrophobicContact CB-CD2 3.71Å
4F92.3Very high89.2Confident27 Ų2749.7 Ų49.712%0.11824%0.244CC..EExtended strand (participates in β ladder)trans-91109.1168.3-168.6-116.7000107.3C13 Y14 A15 L72 A73 L81 V85 I90F4-C13 HydrophobicContact CE1-CB 3.84Å; F4-C13 HydrophobicContact CE2-CB 3.9Å; F4-C13 HydrophobicContact CZ-CB 3.34Å; F4-Y14 WeakPolarHBondContact CA-O 3.3Å; F4-A15 HydrophobicContact CD2-CB 4.37Å; F4-L72 HydrophobicContact CD1-CB 3.87Å; F4-L72 HydrophobicContact CD1-CD1 3.91Å; F4-L72 HydrophobicContact CD1-CG 4.47Å; F4-L72 HydrophobicContact CE1-CD1 3.9Å; F4-L72 PolarHBondContact O-N 3.18Å; F4-A73 HydrophobicContact CB-CB 4.24Å; F4-A73 PolarHBondContact N-O 2.87Å; F4-L81 HydrophobicContact CB-CD1 3.89Å; F4-L81 HydrophobicContact CB-CD2 3.94Å; F4-L81 HydrophobicContact CB-CG 3.99Å; F4-V85 HydrophobicContact CB-CG2 4.43Å; F4-V85 HydrophobicContact CD1-CG2 3.69Å; F4-V85 HydrophobicContact CD2-CG2 3.71Å; F4-V85 HydrophobicContact CE1-CG1 3.91Å; F4-V85 HydrophobicContact CE1-CG2 3.75Å; F4-V85 HydrophobicContact CE2-CG1 4.08Å; F4-V85 HydrophobicContact CE2-CG2 3.76Å; F4-V85 HydrophobicContact CG-CG2 3.68Å; F4-V85 HydrophobicContact CZ-CB 4.35Å; F4-V85 HydrophobicContact CZ-CG1 3.56Å; F4-V85 HydrophobicContact CZ-CG2 3.78Å; F4-I90 HydrophobicContact CD1-CD1 3.98Å; F4-I90 HydrophobicContact CE1-CD1 4.33Å
5V91.3Very high89.3Confident0 Ų047.9 Ų47.90%024%0.24CC..EExtended strand (participates in β ladder)trans-111.8144.4-174.6-57.30000110.2A3 F7 C13 Y14 L16 V40 A69 Q70 I71A3-V5 HydrophobicContact CB-CG1 3.99Å; V5-F7 HydrophobicContact CG2-CE2 4.04Å; V5-F7 HydrophobicContact CG2-CZ 4.19Å; V5-C13 CarbonylContact O-C 3.56Å; V5-C13 WeakPolarHBondContact O-CA 3.33Å; V5-Y14 PolarHBondContact N-O 3.17Å; V5-Y14 PolarHBondContact O-N 2.93Å; V5-L16 HydrophobicContact CG2-CD1 3.8Å; V5-L16 HydrophobicContact CG2-CG 4.49Å; V5-V40 HydrophobicContact CG1-CG2 4.39Å; V5-V40 HydrophobicContact CG2-CG1 4.45Å; V5-A69 HydrophobicContact CB-CB 4.19Å; V5-Q70 CarbonylContact C-O 3.57Å; V5-Q70 VanDerWaalsContact CA-O 3.3Å; V5-Q70 WeakPolarHBondContact CA-O 3.47Å; V5-I71 HydrophobicContact CG1-CG1 4.1Å
6R91.2Very high89.3Confident53 Ų5346.8 Ų46.820%0.224%0.235CC..EExtended strand (participates in β ladder)trans-110.6115.1169.1177.6177.7176.5-1354.1108.8N11 V12 A69 Q70 L72R6-N11 PolarHBondContact NH2-OD1 3.18Å; R6-V12 WeakPolarHBondContact CA-O 3.46Å; R6-A69 CarbonylContact O-C 3.46Å; R6-A69 VanDerWaalsContact O-CA 3.22Å; R6-A69 WeakPolarHBondContact O-CA 3.4Å; R6-A69 WeakPolarHBondContact O-CB 3.42Å; R6-Q70 PolarHBondContact N-O 3.28Å; R6-Q70 PolarHBondContact O-N 2.85Å; R6-L72 HydrophobicContact CB-CD1 3.86Å; R6-L72 HydrophobicContact CB-CG 4.27Å
7F90.9Very high89.4Confident1 Ų146.7 Ų46.70%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-68.3135.2174.1-69.1-77.4000109.7V5 D10 N11 V12 Y14 L16 V40 R42 H67 A69V5-F7 HydrophobicContact CG2-CE2 4.04Å; V5-F7 HydrophobicContact CG2-CZ 4.19Å; F7-D10 WeakPolarHBondContact CB-OD1 3.36Å; F7-N11 WeakPolarHBondContact O-CA 3.09Å; F7-N11 PolarHBondContact O-N 2.77Å; F7-V12 PolarHBondContact N-O 2.99Å; F7-Y14 AromaticContact CD2-CD2 3.68Å; F7-Y14 HydrophobicContact CD2-CD2 3.68Å; F7-Y14 HydrophobicContact CD2-CE2 4.15Å; F7-Y14 AromaticContact CE2-CD2 3.49Å; F7-Y14 HydrophobicContact CE2-CD2 3.49Å; F7-Y14 VanDerWaalsContact CE2-CD2 3.49Å; F7-Y14 HydrophobicContact CE2-CE2 4.14Å; F7-Y14 HydrophobicContact CE2-CG 4.26Å; F7-L16 HydrophobicContact CE2-CD1 4.33Å; F7-L16 HydrophobicContact CZ-CD1 3.99Å; F7-V40 HydrophobicContact CE1-CB 4.05Å; F7-V40 HydrophobicContact CE1-CG1 4.12Å; F7-V40 HydrophobicContact CZ-CG1 4.08Å; F7-R42 HydrophobicContact CE1-CB 4.25Å; F7-R42 HydrophobicContact CZ-CB 4.14Å; F7-R42 HydrophobicContact CZ-CG 4.17Å; F7-H67 HydrophobicContact CD1-CB 3.53Å; F7-H67 HydrophobicContact CE1-CB 3.64Å; F7-A69 HydrophobicContact CD1-CB 3.84Å; F7-A69 HydrophobicContact CE1-CB 4.18Å; F7-A69 HydrophobicContact CG-CB 4.36Å
8L88.5Confident89.5Confident55 Ų5544.9 Ų44.929%0.28823%0.23SC..THydrogen-bonded Turntrans-79.1-22.7-175.7-67.7175.5000112.5V37 K68 L95L8-V37 HydrophobicContact CD1-CB 4.43Å; L8-V37 HydrophobicContact CD1-CG1 3.72Å; L8-V37 HydrophobicContact CD1-CG2 3.82Å; L8-K68 HydrophobicContact CB-CB 4.44Å; L8-K68 WeakPolarHBondContact CB-O 3.15Å; L8-K68 HydrophobicContact CD1-CB 3.99Å; L8-K68 PolarHBondContact N-O 3.3Å; L8-L95 HydrophobicContact CD1-CD1 4.13Å; L8-L95 HydrophobicContact CD2-CD1 3.66Å
9E86.1Confident89.4Confident104 Ų10447.5 Ų47.549%0.48625%0.253SS..THydrogen-bonded Turntrans-72.3-46.4-178.3-59.4110.2-154.900112.3H67 K68E9-H67 IonicContact OE1-ND1 3.41Å; E9-H67 WeakPolarHBondContact OE2-CB 3.24Å; E9-H67 IonicContact OE2-CE1 3.42Å; E9-H67 IonicContact OE2-CG 2.73Å; E9-H67 IonicContact OE2-ND1 3.33Å; E9-H67 PolarHBondContact OE2-ND1 3.13Å; E9-K68 PolarHBondContact OE1-N 3.36Å
10D87.5Confident89.5Confident63 Ų6346.7 Ų46.734%0.33725%0.25SS..THydrogen-bonded Turntrans-115.8-3.8-173.560.17.9000113.4F7 V12 R42F7-D10 WeakPolarHBondContact CB-OD1 3.36Å; D10-V12 HydrophobicContact CB-CG2 3.84Å; D10-V12 PolarHBondContact O-N 3.1Å; D10-V12 WeakPolarHBondContact OD1-CB 3.15Å; D10-V12 WeakPolarHBondContact OD1-CG2 3.2Å; D10-V12 PolarHBondContact OD1-N 3.04Å; D10-V12 WeakPolarHBondContact OD2-CG2 3.35Å; D10-R42 IonicContact OD2-CZ 3.62Å; D10-R42 IonicContact OD2-NH1 2.95Å; D10-R42 PolarHBondContact OD2-NH1 2.97Å; D10-R42 IonicContact OD2-NH2 3.54Å; D10-R42 PolarHBondContact OD2-NH2 3.1Å
11N85.7Confident89.5Confident87 Ų8744.7 Ų44.747%0.46524%0.24SC..  trans61.913.8-173.5-55.6-81.1000114.3R6 F7R6-N11 PolarHBondContact NH2-OD1 3.18Å; F7-N11 WeakPolarHBondContact O-CA 3.09Å; F7-N11 PolarHBondContact O-N 2.77Å
12V86.7Confident89.5Confident54 Ų5446.9 Ų46.933%0.32724%0.244SC..  trans-78.1138.9-179.3-173.30000109R6 F7 D10 Y14R6-V12 WeakPolarHBondContact CA-O 3.46Å; F7-V12 PolarHBondContact N-O 2.99Å; D10-V12 HydrophobicContact CB-CG2 3.84Å; D10-V12 PolarHBondContact O-N 3.1Å; D10-V12 WeakPolarHBondContact OD1-CB 3.15Å; D10-V12 WeakPolarHBondContact OD1-CG2 3.2Å; D10-V12 PolarHBondContact OD1-N 3.04Å; D10-V12 WeakPolarHBondContact OD2-CG2 3.35Å; V12-Y14 HydrophobicContact CB-CD2 4.42Å; V12-Y14 HydrophobicContact CB-CE2 3.84Å; V12-Y14 HydrophobicContact CG1-CD2 3.79Å; V12-Y14 HydrophobicContact CG1-CE2 3.15Å
13C89.2Confident89.2Confident44 Ų4450.2 Ų50.230%0.29727%0.267SS..EExtended strand (participates in β ladder)trans-107.1136.1179.6-56.30000110.5F4 V5F4-C13 HydrophobicContact CE1-CB 3.84Å; F4-C13 HydrophobicContact CE2-CB 3.9Å; F4-C13 HydrophobicContact CZ-CB 3.34Å; V5-C13 CarbonylContact O-C 3.56Å; V5-C13 WeakPolarHBondContact O-CA 3.33Å
14Y87.2Confident89.2Confident62 Ų6251.5 Ų51.524%0.24327%0.273CS..EExtended strand (participates in β ladder)trans-135.3148.1177.7-70.4-89.9000111.1F4 V5 F7 V12 R42 E46F4-Y14 WeakPolarHBondContact CA-O 3.3Å; V5-Y14 PolarHBondContact N-O 3.17Å; V5-Y14 PolarHBondContact O-N 2.93Å; F7-Y14 AromaticContact CD2-CD2 3.68Å; F7-Y14 HydrophobicContact CD2-CD2 3.68Å; F7-Y14 HydrophobicContact CD2-CE2 4.15Å; F7-Y14 AromaticContact CE2-CD2 3.49Å; F7-Y14 HydrophobicContact CE2-CD2 3.49Å; F7-Y14 VanDerWaalsContact CE2-CD2 3.49Å; F7-Y14 HydrophobicContact CE2-CE2 4.14Å; F7-Y14 HydrophobicContact CE2-CG 4.26Å; V12-Y14 HydrophobicContact CB-CD2 4.42Å; V12-Y14 HydrophobicContact CB-CE2 3.84Å; V12-Y14 HydrophobicContact CG1-CD2 3.79Å; V12-Y14 HydrophobicContact CG1-CE2 3.15Å; Y14-R42 PolarHBondContact OH-NH2 3.05Å; Y14-E46 VanDerWaalsContact CE1-OE2 3.31Å; Y14-E46 WeakPolarHBondContact CE1-OE2 3.38Å
15A90.6Very high89Confident23 Ų2355.4 Ų55.419%0.1930%0.303CS..EExtended strand (participates in β ladder)trans-93111.4167.400000108.9F4 L81F4-A15 HydrophobicContact CD2-CB 4.37Å; A15-L81 HydrophobicContact CB-CD2 3.91Å
16L89.5Confident89Confident29 Ų2956.4 Ų56.415%0.15231%0.31CS..EExtended strand (participates in β ladder)trans-123.3151.2-176.5-62.6169.4000110.5Y2 A3 V5 F7 C20 V40Y2-L16 CarbonylContact C-O 3.51Å; Y2-L16 WeakPolarHBondContact CA-O 2.88Å; A3-L16 PolarHBondContact N-O 2.8Å; A3-L16 PolarHBondContact O-N 2.78Å; V5-L16 HydrophobicContact CG2-CD1 3.8Å; V5-L16 HydrophobicContact CG2-CG 4.49Å; F7-L16 HydrophobicContact CE2-CD1 4.33Å; F7-L16 HydrophobicContact CZ-CD1 3.99Å; L16-C20 HydrophobicContact CB-CB 4.33Å; L16-V40 HydrophobicContact CD1-CG1 3.84Å
17P90.9Very high88.9Confident46 Ų4665.2 Ų65.230%0.29934%0.343SS..EExtended strand (participates in β ladder)trans-55.7142.2168-22.633.3000110.6Y2 S19 C20Y2-P17 HydrophobicContact CD1-CG 4.32Å; Y2-P17 HydrophobicContact CE1-CB 4.44Å; Y2-P17 HydrophobicContact CE1-CG 3.88Å; P17-S19 WeakPolarHBondContact CB-OG 3.49Å; P17-S19 PolarHBondContact O-N 2.82Å; P17-S19 VanDerWaalsContact O-N 3.09Å; P17-C20 WeakPolarHBondContact O-CB 3.48Å; P17-C20 PolarHBondContact O-N 3.19Å
18V91.1Very high88.8Confident14 Ų1467.7 Ų67.79%0.08536%0.361CS..G310 helixtrans-60.3-24.6179.5173.50000112.7M1 A3 C20 V21 F24 P26 L74M1-V18 HydrophobicContact CB-CG2 4.06Å; M1-V18 HydrophobicContact CG-CG2 4.05Å; M1-V18 WeakPolarHBondContact O-CG2 3.34Å; M1-V18 PolarHBondContact O-N 3.2Å; A3-V18 HydrophobicContact CB-CG2 4.15Å; V18-C20 PolarHBondContact O-N 3.06Å; V18-C20 VanDerWaalsContact O-N 3.09Å; V18-V21 PolarHBondContact O-N 3.13Å; V18-F24 HydrophobicContact CG1-CD1 3.63Å; V18-F24 HydrophobicContact CG1-CE1 3.97Å; V18-P26 HydrophobicContact CB-CG 4.47Å; V18-P26 HydrophobicContact CG1-CG 3.66Å; V18-P26 HydrophobicContact CG2-CG 4.13Å; V18-L74 HydrophobicContact CG2-CD2 4.05Å
19S88.6Confident88.8Confident95 Ų9569.8 Ų69.866%0.66437%0.365SS*.G310 helixtrans-60.1-16.9172.954.30000114.4P17 V21P17-S19 WeakPolarHBondContact CB-OG 3.49Å; P17-S19 PolarHBondContact O-N 2.82Å; P17-S19 VanDerWaalsContact O-N 3.09Å; S19-V21 VanDerWaalsContact C-N 3.32Å
20C89.7Confident88.8Confident30 Ų3072 Ų7220%0.20338%0.379CS..G310 helixtrans-83-7.6174.1-61.60000112.7L16 P17 V18 V40 Y41L16-C20 HydrophobicContact CB-CB 4.33Å; P17-C20 WeakPolarHBondContact O-CB 3.48Å; P17-C20 PolarHBondContact O-N 3.19Å; V18-C20 PolarHBondContact O-N 3.06Å; V18-C20 VanDerWaalsContact O-N 3.09Å; C20-V40 CarbonylContact O-C 3.55Å; C20-V40 WeakPolarHBondContact O-CA 3.27Å; C20-Y41 WeakPolarHBondContact O-CD2 3.4Å; C20-Y41 PolarHBondContact O-N 3.48Å
21V89.7Confident89Confident5 Ų572.5 Ų72.53%0.0338%0.382CS..BIsolated β-bridgetrans-96.7119.1175.9-172.60000108.6A3 V18 S19 F24 Y38 V40 I71A3-V21 HydrophobicContact CB-CG2 4.41Å; V18-V21 PolarHBondContact O-N 3.13Å; S19-V21 VanDerWaalsContact C-N 3.32Å; V21-F24 HydrophobicContact CB-CB 3.82Å; V21-F24 HydrophobicContact CB-CD1 3.88Å; V21-F24 HydrophobicContact CB-CG 4.25Å; V21-F24 HydrophobicContact CG1-CB 3.44Å; V21-F24 VanDerWaalsContact CG1-CB 3.44Å; V21-F24 HydrophobicContact CG1-CD1 3.83Å; V21-F24 HydrophobicContact CG1-CG 3.84Å; V21-F24 HydrophobicContact CG2-CD1 4.25Å; V21-Y38 HydrophobicContact CG1-CD1 4.02Å; V21-Y38 HydrophobicContact CG1-CG 4.21Å; V21-V40 HydrophobicContact CB-CG2 4.47Å; V21-V40 HydrophobicContact CG1-CG2 4.21Å; V21-V40 HydrophobicContact CG2-CG2 4.07Å; V21-I71 HydrophobicContact CG1-CD1 4.22Å; V21-I71 HydrophobicContact CG2-CD1 4.49Å
22R88.9Confident89.2Confident118 Ų11870.8 Ų70.845%0.44537%0.37SS..THydrogen-bonded Turntrans-64.4137-178-158.2-173.669.7-163.6-0.1110.3F24 A39 Y41R22-F24 PolarHBondContact O-N 3.24Å; R22-F24 VanDerWaalsContact O-N 3.13Å; R22-A39 HydrophobicContact CB-CB 4.1Å; R22-A39 PolarHBondContact N-O 2.77Å; R22-Y41 HydrophobicContact CB-CE2 4.11Å; R22-Y41 HydrophobicContact CG-CE2 4.22Å
23D86.6Confident89.3Confident144 Ų14472 Ų7277%0.7738%0.375SS*.THydrogen-bonded Turntrans5628.4174.9-48.7-46.8000114.3
24F91.3Very high89.2Confident27 Ų2773.1 Ų73.112%0.11838%0.378CS..  trans-123.4119-176-173.9-116.4000111.1V18 V21 R22 P26 D31 F32 Y38 I71 L74V18-F24 HydrophobicContact CG1-CD1 3.63Å; V18-F24 HydrophobicContact CG1-CE1 3.97Å; V21-F24 HydrophobicContact CB-CB 3.82Å; V21-F24 HydrophobicContact CB-CD1 3.88Å; V21-F24 HydrophobicContact CB-CG 4.25Å; V21-F24 HydrophobicContact CG1-CB 3.44Å; V21-F24 VanDerWaalsContact CG1-CB 3.44Å; V21-F24 HydrophobicContact CG1-CD1 3.83Å; V21-F24 HydrophobicContact CG1-CG 3.84Å; V21-F24 HydrophobicContact CG2-CD1 4.25Å; R22-F24 PolarHBondContact O-N 3.24Å; R22-F24 VanDerWaalsContact O-N 3.13Å; F24-P26 HydrophobicContact CD1-CG 4.25Å; F24-P26 HydrophobicContact CE1-CB 4.08Å; F24-P26 HydrophobicContact CE1-CG 3.63Å; F24-P26 HydrophobicContact CE2-CB 4.43Å; F24-P26 HydrophobicContact CZ-CB 3.82Å; F24-P26 HydrophobicContact CZ-CG 3.91Å; F24-D31 WeakPolarHBondContact CE2-O 3.39Å; F24-D31 WeakPolarHBondContact CZ-O 3.42Å; F24-F32 HydrophobicContact CE2-CB 4.44Å; F24-F32 HydrophobicContact CZ-CB 3.94Å; F24-Y38 HydrophobicContact CD2-CD1 4.21Å; F24-Y38 AromaticContact CD2-CE1 3.77Å; F24-Y38 HydrophobicContact CD2-CE1 3.77Å; F24-Y38 AromaticContact CE2-CE1 3.92Å; F24-Y38 HydrophobicContact CE2-CE1 3.92Å; F24-Y38 HydrophobicContact CG-CD1 4.42Å; F24-Y38 HydrophobicContact CG-CE1 4.4Å; F24-I71 HydrophobicContact CD1-CD1 3.74Å; F24-I71 HydrophobicContact CD2-CD1 4.45Å; F24-I71 HydrophobicContact CE1-CD1 3.39Å; F24-I71 HydrophobicContact CE2-CD1 4.13Å; F24-I71 HydrophobicContact CG-CD1 4.28Å; F24-I71 HydrophobicContact CZ-CD1 3.6Å; F24-L74 HydrophobicContact CE1-CD1 4.47Å; F24-L74 HydrophobicContact CE1-CD2 4.02Å; F24-L74 HydrophobicContact CZ-CD1 4.15Å; F24-L74 HydrophobicContact CZ-CD2 4.42Å
25S88.5Confident89.2Confident109 Ų10976.1 Ų76.176%0.76239%0.394SS*.  trans-138.473.8-176.4-68.90000110.5
26P90.9Very high89.2Confident22 Ų2280.6 Ų80.614%0.14341%0.409CS..  trans-67.9135.5-174.329-34.7000111.4M1 V18 F24 D31 L74M1-P26 HydrophobicContact SD-CB 4.05Å; M1-P26 HydrophobicContact SD-CG 3.65Å; V18-P26 HydrophobicContact CB-CG 4.47Å; V18-P26 HydrophobicContact CG1-CG 3.66Å; V18-P26 HydrophobicContact CG2-CG 4.13Å; F24-P26 HydrophobicContact CD1-CG 4.25Å; F24-P26 HydrophobicContact CE1-CB 4.08Å; F24-P26 HydrophobicContact CE1-CG 3.63Å; F24-P26 HydrophobicContact CE2-CB 4.43Å; F24-P26 HydrophobicContact CZ-CB 3.82Å; F24-P26 HydrophobicContact CZ-CG 3.91Å; P26-D31 VanDerWaalsContact CA-OD2 3.25Å; P26-D31 WeakPolarHBondContact CA-OD2 3.48Å; P26-D31 HydrophobicContact CB-CB 3.76Å; P26-L74 HydrophobicContact CB-CD1 3.72Å; P26-L74 HydrophobicContact CG-CD1 4.09Å
27R88.2Confident89.3Confident238 Ų23881.6 Ų81.690%0.89842%0.416SS*.SBendtrans-92.6-15.3175.4-61.9-174.7179.6-142.90.4113.3D31R27-D31 PolarHBondContact N-OD2 2.94Å
28S88.9Confident89.4Confident53 Ų5380.3 Ų80.337%0.37141%0.406SS..SBendtrans-147.5166-179.483.10000111.5L30 D31S28-L30 PolarHBondContact O-N 2.93Å; S28-L30 VanDerWaalsContact O-N 3.1Å; S28-L30 PolarHBondContact OG-N 3.35Å; S28-D31 WeakPolarHBondContact O-CB 3.28Å; S28-D31 PolarHBondContact O-N 3.09Å; S28-D31 VanDerWaalsContact O-N 3.1Å; S28-D31 PolarHBondContact OG-N 3.4Å
29R88.5Confident89.4Confident98 Ų9880.8 Ų80.837%0.3741%0.411SS..THydrogen-bonded Turntrans-64.5-10.9175.4-58.1-178.6-175.9-152.8-0.5113.8F32 E76 D80R29-F32 WeakPolarHBondContact O-CE1 3.48Å; R29-E76 IonicContact CZ-OE2 2.68Å; R29-E76 IonicContact NE-OE1 2.82Å; R29-E76 IonicContact NE-OE2 2.78Å; R29-E76 IonicContact NH2-OE2 3.22Å; R29-E76 PolarHBondContact NH2-OE2 2.78Å; R29-D80 IonicContact CZ-OD2 2.74Å; R29-D80 IonicContact NH1-OD2 3.76Å; R29-D80 PolarHBondContact NH1-OD2 2.84Å; R29-D80 IonicContact NH2-OD2 3.58Å
30L87.4Confident89.5Confident152 Ų15276.2 Ų76.280%0.79638%0.38SS*.THydrogen-bonded Turntrans-102.8-0.2178.4-59.7177.4000112.9S28 F32S28-L30 PolarHBondContact O-N 2.93Å; S28-L30 VanDerWaalsContact O-N 3.1Å; S28-L30 PolarHBondContact OG-N 3.35Å; L30-F32 PolarHBondContact O-N 3.09Å
31D90.4Very high89.4Confident72 Ų7278.3 Ų78.339%0.38538%0.384SS..  trans-85.251.4-173.3-161.48.5000111.5F24 P26 R27 S28F24-D31 WeakPolarHBondContact CE2-O 3.39Å; F24-D31 WeakPolarHBondContact CZ-O 3.42Å; P26-D31 VanDerWaalsContact CA-OD2 3.25Å; P26-D31 WeakPolarHBondContact CA-OD2 3.48Å; P26-D31 HydrophobicContact CB-CB 3.76Å; R27-D31 PolarHBondContact N-OD2 2.94Å; S28-D31 WeakPolarHBondContact O-CB 3.28Å; S28-D31 PolarHBondContact O-N 3.09Å; S28-D31 VanDerWaalsContact O-N 3.1Å; S28-D31 PolarHBondContact OG-N 3.4Å
32F90.6Very high88.9Confident51 Ų5181.2 Ų81.222%0.22439%0.394CS..  trans-145.3141.5172.173.8-78.4000109.8F24 R29 L30 N34 I71 L72 L74F24-F32 HydrophobicContact CE2-CB 4.44Å; F24-F32 HydrophobicContact CZ-CB 3.94Å; R29-F32 WeakPolarHBondContact O-CE1 3.48Å; L30-F32 PolarHBondContact O-N 3.09Å; F32-N34 HydrophobicContact CD2-CB 4.34Å; F32-N34 HydrophobicContact CE2-CB 3.92Å; F32-I71 HydrophobicContact CB-CB 4.3Å; F32-I71 HydrophobicContact CB-CD1 4.47Å; F32-I71 HydrophobicContact CB-CG2 3.91Å; F32-I71 HydrophobicContact CD2-CB 4.01Å; F32-I71 HydrophobicContact CD2-CG2 3.64Å; F32-I71 WeakPolarHBondContact CD2-O 3.49Å; F32-I71 HydrophobicContact CE2-CG2 4.31Å; F32-I71 WeakPolarHBondContact CE2-O 3.36Å; F32-I71 HydrophobicContact CG-CB 4.44Å; F32-I71 HydrophobicContact CG-CG2 3.82Å; F32-L72 WeakPolarHBondContact CE2-O 3.34Å; F32-L72 WeakPolarHBondContact CZ-O 3.24Å; F32-L74 HydrophobicContact CB-CD1 4.1Å; F32-L74 HydrophobicContact CB-CG 4.42Å; F32-L74 HydrophobicContact CD1-CD1 3.79Å; F32-L74 HydrophobicContact CD1-CG 3.81Å; F32-L74 HydrophobicContact CE1-CG 4.45Å; F32-L74 HydrophobicContact CG-CD1 4.33Å; F32-L74 HydrophobicContact CG-CG 4.32Å
33D88.7Confident87.8Confident79 Ų7977.8 Ų77.842%0.42240%0.396SS..  trans-92.6119.2167.5-177.3-3.1000109.4Q35 K36 Y38D33-Q35 PolarHBondContact O-N 3.03Å; D33-Q35 PolarHBondContact OD1-N 3.48Å; D33-K36 HydrophobicContact CB-CB 3.82Å; D33-K36 PolarHBondContact O-N 3.04Å; D33-Y38 PolarHBondContact N-OH 2.77Å; D33-Y38 WeakPolarHBondContact O-CE2 3.43Å; D33-Y38 PolarHBondContact O-OH 3.48Å
34N87.4Confident86.2Confident69 Ų6975.4 Ų75.437%0.36939%0.388SS..THydrogen-bonded Turntrans-77.2-1.4178.771.85.1000113.3F32 Q70 P93F32-N34 HydrophobicContact CD2-CB 4.34Å; F32-N34 HydrophobicContact CE2-CB 3.92Å; N34-Q70 PolarHBondContact O-NE2 2.93Å; N34-P93 HydrophobicContact CB-CG 3.96Å
35Q87.2Confident84Confident125 Ų12580.9 Ų80.958%0.58441%0.414SS*.THydrogen-bonded Turntrans-105.1-8.6171.9-60.2-167.2-30.400113D33 L95D33-Q35 PolarHBondContact O-N 3.03Å; D33-Q35 PolarHBondContact OD1-N 3.48Å; Q35-L95 WeakPolarHBondContact O-CD2 3.33Å
36K90.3Very high81.7Confident116 Ų11682.5 Ų82.550%0.50441%0.41SS..SBendtrans-84.8142.7179.3-174173.3-179.3-179.80111.4D33 Y38D33-K36 HydrophobicContact CB-CB 3.82Å; D33-K36 PolarHBondContact O-N 3.04Å; K36-Y38 HydrophobicContact CB-CE2 3.79Å; K36-Y38 HydrophobicContact CD-CE1 4.07Å; K36-Y38 HydrophobicContact CG-CE1 4.43Å; K36-Y38 HydrophobicContact CG-CE2 4.14Å; K36-Y38 VanDerWaalsContact O-CD2 3.31Å; K36-Y38 WeakPolarHBondContact O-CD2 3.31Å; K36-Y38 VanDerWaalsContact O-CE2 3.24Å; K36-Y38 WeakPolarHBondContact O-CE2 3.4Å
37V91.9Very high79.3Confident50 Ų5089.7 Ų89.730%0.30345%0.446SS..EExtended strand (participates in β ladder)trans-90.4127.1169-177.40000108.5L8 K68 L95L8-V37 HydrophobicContact CD1-CB 4.43Å; L8-V37 HydrophobicContact CD1-CG1 3.72Å; L8-V37 HydrophobicContact CD1-CG2 3.82Å; V37-K68 HydrophobicContact CG1-CB 3.81Å; V37-K68 HydrophobicContact CG1-CD 4.46Å; V37-K68 HydrophobicContact CG1-CG 4.24Å; V37-L95 HydrophobicContact CG2-CD1 3.96Å
38Y92.4Very high76.6Confident19 Ų1982.4 Ų82.48%0.07544%0.444CS..EExtended strand (participates in β ladder)trans-108.7150.2177.8-58.4-98.4000109.4V21 F24 D33 K36 A69 I71V21-Y38 HydrophobicContact CG1-CD1 4.02Å; V21-Y38 HydrophobicContact CG1-CG 4.21Å; F24-Y38 HydrophobicContact CD2-CD1 4.21Å; F24-Y38 AromaticContact CD2-CE1 3.77Å; F24-Y38 HydrophobicContact CD2-CE1 3.77Å; F24-Y38 AromaticContact CE2-CE1 3.92Å; F24-Y38 HydrophobicContact CE2-CE1 3.92Å; F24-Y38 HydrophobicContact CG-CD1 4.42Å; F24-Y38 HydrophobicContact CG-CE1 4.4Å; D33-Y38 PolarHBondContact N-OH 2.77Å; D33-Y38 WeakPolarHBondContact O-CE2 3.43Å; D33-Y38 PolarHBondContact O-OH 3.48Å; K36-Y38 HydrophobicContact CB-CE2 3.79Å; K36-Y38 HydrophobicContact CD-CE1 4.07Å; K36-Y38 HydrophobicContact CG-CE1 4.43Å; K36-Y38 HydrophobicContact CG-CE2 4.14Å; K36-Y38 VanDerWaalsContact O-CD2 3.31Å; K36-Y38 WeakPolarHBondContact O-CD2 3.31Å; K36-Y38 VanDerWaalsContact O-CE2 3.24Å; K36-Y38 WeakPolarHBondContact O-CE2 3.4Å; Y38-A69 PolarHBondContact N-O 3.22Å; Y38-A69 PolarHBondContact O-N 3.34Å; Y38-I71 HydrophobicContact CD1-CD1 3.76Å; Y38-I71 HydrophobicContact CD1-CG1 4.45Å; Y38-I71 HydrophobicContact CD2-CB 4.24Å; Y38-I71 HydrophobicContact CD2-CD1 3.8Å; Y38-I71 HydrophobicContact CD2-CG1 3.6Å; Y38-I71 HydrophobicContact CE1-CD1 3.77Å; Y38-I71 HydrophobicContact CE2-CB 4.02Å; Y38-I71 HydrophobicContact CE2-CD1 3.81Å; Y38-I71 HydrophobicContact CE2-CG1 3.79Å; Y38-I71 HydrophobicContact CG-CD1 3.78Å; Y38-I71 HydrophobicContact CG-CG1 3.96Å
39A92.1Very high74Confident24 Ų2483.4 Ų83.420%0.19846%0.456CS..EExtended strand (participates in β ladder)trans-88.5122.9168.800000109.2R22 L66R22-A39 HydrophobicContact CB-CB 4.1Å; R22-A39 PolarHBondContact N-O 2.77Å; A39-L66 HydrophobicContact CB-CD2 3.55Å; A39-L66 HydrophobicContact CB-CG 4.07Å
40V90.5Very high71.4Confident0 Ų082 Ų820%047%0.472CS..EExtended strand (participates in β ladder)trans-124.9132.2-175.4-177.20000110V5 F7 L16 C20 V21 R42 H67 A69V5-V40 HydrophobicContact CG1-CG2 4.39Å; V5-V40 HydrophobicContact CG2-CG1 4.45Å; F7-V40 HydrophobicContact CE1-CB 4.05Å; F7-V40 HydrophobicContact CE1-CG1 4.12Å; F7-V40 HydrophobicContact CZ-CG1 4.08Å; L16-V40 HydrophobicContact CD1-CG1 3.84Å; C20-V40 CarbonylContact O-C 3.55Å; C20-V40 WeakPolarHBondContact O-CA 3.27Å; V21-V40 HydrophobicContact CB-CG2 4.47Å; V21-V40 HydrophobicContact CG1-CG2 4.21Å; V21-V40 HydrophobicContact CG2-CG2 4.07Å; V40-R42 PolarHBondContact O-N 3.25Å; V40-H67 PolarHBondContact N-O 3.15Å; V40-H67 PolarHBondContact O-N 3.16Å; V40-A69 HydrophobicContact CB-CB 4.18Å; V40-A69 HydrophobicContact CG2-CB 3.7Å
41Y86.4Confident69.3Low73 Ų7381.1 Ų81.129%0.28648%0.476SS..EExtended strand (participates in β ladder)trans-72.4116.8173.4-66.9-83.4000110.1C20 R22 W61 L65 L66C20-Y41 WeakPolarHBondContact O-CD2 3.4Å; C20-Y41 PolarHBondContact O-N 3.48Å; R22-Y41 HydrophobicContact CB-CE2 4.11Å; R22-Y41 HydrophobicContact CG-CE2 4.22Å; Y41-W61 HydrophobicContact CD1-CB 4.09Å; Y41-W61 HydrophobicContact CE1-CB 4.16Å; Y41-L65 CarbonylContact C-O 3.55Å; Y41-L65 VanDerWaalsContact CA-O 3.24Å; Y41-L65 WeakPolarHBondContact CA-O 3Å; Y41-L66 HydrophobicContact CD1-CD1 3.62Å; Y41-L66 HydrophobicContact CE1-CD1 3.15Å; Y41-L66 HydrophobicContact CE1-CG 4.48Å; Y41-L66 HydrophobicContact CE2-CD1 4.23Å; Y41-L66 HydrophobicContact CG-CD1 4.35Å; Y41-L66 VanDerWaalsContact CZ-CD1 3.49Å
42R80.6Confident66.8Low66 Ų6686.5 Ų86.525%0.24950%0.498CS..  trans-104.2111.8170.4-166.4179.4-171.9166.84.3107.9F7 D10 Y14 V40 L65 H67F7-R42 HydrophobicContact CE1-CB 4.25Å; F7-R42 HydrophobicContact CZ-CB 4.14Å; F7-R42 HydrophobicContact CZ-CG 4.17Å; D10-R42 IonicContact OD2-CZ 3.62Å; D10-R42 IonicContact OD2-NH1 2.95Å; D10-R42 PolarHBondContact OD2-NH1 2.97Å; D10-R42 IonicContact OD2-NH2 3.54Å; D10-R42 PolarHBondContact OD2-NH2 3.1Å; Y14-R42 PolarHBondContact OH-NH2 3.05Å; V40-R42 PolarHBondContact O-N 3.25Å; R42-L65 PolarHBondContact N-O 3.42Å; R42-L65 WeakPolarHBondContact O-CB 3.38Å; R42-L65 WeakPolarHBondContact O-CD2 3.41Å; R42-H67 WeakPolarHBondContact CB-CD2 3.37Å
43G64.2Low64.2Low47 Ų4789.2 Ų89.249%0.48552%0.524SS..  trans-71.1151.1-179.200000112.4E45G43-E45 PolarHBondContact O-N 3.46Å; G43-E45 VanDerWaalsContact O-N 3.1Å
44P53.7Low62.4Low93 Ų9391.2 Ų91.260%0.60454%0.541SS*.SBendtrans-70.57.8173-14.529.5000115W61 L65P44-W61 VanDerWaalsContact CD-CZ3 3.42Å; P44-W61 HydrophobicContact CG-CH2 4.48Å; P44-W61 HydrophobicContact CG-CZ3 3.9Å; P44-L65 HydrophobicContact CG-CD1 4.21Å; P44-L65 HydrophobicContact CG-CD2 3.78Å
45E45Very low60.5Low142 Ų14293.8 Ų93.866%0.66456%0.561SS**  trans-122.367.4-162-154.7171.7-159.400111.5G43G43-E45 PolarHBondContact O-N 3.46Å; G43-E45 VanDerWaalsContact O-N 3.1Å
46E41.3Very low58.5Low144 Ų14499.1 Ų99.167%0.67358%0.576SS**  trans-12421.2159.7-74.1-165.7166.400111.9Y14Y14-E46 VanDerWaalsContact CE1-OE2 3.31Å; Y14-E46 WeakPolarHBondContact CE1-OE2 3.38Å
47L40Very low56.6Low173 Ų17397.3 Ų97.391%0.90658%0.582SS**SBendtrans-108.678.2164.3-77162.9000109.3
48G30.6Very low54.5Low84 Ų8498 Ų9887%0.86659%0.588SS**SBendtrans99.122.9147.300000121.4
49A34.7Very low52.6Low74 Ų74109 Ų10961%0.61263%0.629SS**  trans-114.5126.3171.300000112.3
50G34.8Very low50.8Low68 Ų68114.9 Ų114.970%0.70166%0.658SS**  trans-64.6163.9-174.200000114.9E52G50-E52 PolarHBondContact O-N 3.13Å
51P41.6Very low49.1Very low135 Ų135119.7 Ų119.788%0.87768%0.676SS**SBendtrans-86.375.5-165.836-35.1000111.8
52E38.3Very low47.4Very low184 Ų184118.8 Ų118.886%0.8669%0.688SS**  trans-140.574.9164.3-70.4-151.7-179.600111.6G50G50-E52 PolarHBondContact O-N 3.13Å
53S37Very low46.1Very low109 Ų109119.7 Ų119.776%0.76271%0.71SS**SBendtrans164.2137.8145.1-75.30000109.8
54P49.6Very low45.8Very low120 Ų120125.2 Ų125.278%0.77973%0.727SS**  trans-64.1130.2169.8-316.3000108.7R56P54-R56 PolarHBondContact O-N 3.15Å
55P47.3Very low46.6Very low123 Ų123122 Ų12280%0.79971%0.705SS**  trans-66.3109.817527-31.3000107.9A57P55-A57 PolarHBondContact O-N 2.8Å
56R46.1Very low48.4Very low238 Ų238117.5 Ų117.590%0.89869%0.685SS**  trans-57120162-96.1-175.4-177.3-161.91.3106.2P54 P58P54-R56 PolarHBondContact O-N 3.15Å; R56-P58 WeakPolarHBondContact O-CD 3.36Å
57A50Low50.6Low77 Ų77113 Ų11364%0.63666%0.664SS**  trans-55.1103.7168.900000109.1P55P55-A57 PolarHBondContact O-N 2.8Å
58P48Very low53.1Low64 Ų64110.7 Ų110.742%0.41665%0.647SS.*  trans-63130.5161.8-4.824.6000107.7R56 D60 W61R56-P58 WeakPolarHBondContact O-CD 3.36Å; P58-D60 PolarHBondContact O-N 2.86Å; P58-W61 HydrophobicContact CG-CZ2 4.39Å; P58-W61 VanDerWaalsContact CG-NE1 3.29Å
59R52.9Low56Low250 Ų250106.7 Ų106.794%0.94361%0.606SS**THydrogen-bonded Turntrans-60-4.1174-75.5-179.4-176.4-130.80.1113.8
60D53.8Low58.8Low149 Ų149103.1 Ų103.180%0.79758%0.576SS**THydrogen-bonded Turntrans-11314.6-167.9-71.4-26.9000115.2P58 G62P58-D60 PolarHBondContact O-N 2.86Å; D60-G62 PolarHBondContact O-N 3.35Å
61W55.2Low61.5Low101 Ų10199.9 Ų99.938%0.38354%0.543SS..  trans-72.943.9168.3-64.3113.4000112.2Y41 P44 P58 A63 L65Y41-W61 HydrophobicContact CD1-CB 4.09Å; Y41-W61 HydrophobicContact CE1-CB 4.16Å; P44-W61 VanDerWaalsContact CD-CZ3 3.42Å; P44-W61 HydrophobicContact CG-CH2 4.48Å; P44-W61 HydrophobicContact CG-CZ3 3.9Å; P58-W61 HydrophobicContact CG-CZ2 4.39Å; P58-W61 VanDerWaalsContact CG-NE1 3.29Å; W61-A63 PolarHBondContact O-N 2.92Å; W61-L65 HydrophobicContact CB-CD1 4.04Å; W61-L65 HydrophobicContact CD2-CD1 3.6Å; W61-L65 HydrophobicContact CE3-CD1 2.92Å; W61-L65 HydrophobicContact CE3-CG 4.4Å; W61-L65 HydrophobicContact CG-CD1 4.11Å; W61-L65 HydrophobicContact CZ3-CD1 3.46Å; W61-L65 VanDerWaalsContact CZ3-CD1 3.46Å
62G50.2Low63.8Low53 Ų5394.1 Ų94.155%0.54651%0.505SS..THydrogen-bonded Turntrans-54.9124.5-172.500000112.4D60 L64D60-G62 PolarHBondContact O-N 3.35Å; G62-L64 PolarHBondContact O-N 3.36Å
63A54.3Low66.3Low85 Ų8586 Ų8670%0.70247%0.469SS*.THydrogen-bonded Turntrans51.9-42.2169.300000119.2W61 L65 L66W61-A63 PolarHBondContact O-N 2.92Å; A63-L65 PolarHBondContact O-N 3.4Å; A63-L65 VanDerWaalsContact O-N 3.16Å; A63-L66 PolarHBondContact O-N 3.01Å
64L56.4Low68.9Low163 Ų16381.4 Ų81.485%0.85344%0.436SS*.THydrogen-bonded Turntrans-69.3-12.9-171.3-75168.1000114.6G62G62-L64 PolarHBondContact O-N 3.36Å
65L72Confident70.9Confident27 Ų2775.9 Ų75.914%0.14140%0.401CS..THydrogen-bonded Turntrans-117.47.8-178.5-63.5167.8000112.8Y41 R42 P44 W61 A63 H67Y41-L65 CarbonylContact C-O 3.55Å; Y41-L65 VanDerWaalsContact CA-O 3.24Å; Y41-L65 WeakPolarHBondContact CA-O 3Å; R42-L65 PolarHBondContact N-O 3.42Å; R42-L65 WeakPolarHBondContact O-CB 3.38Å; R42-L65 WeakPolarHBondContact O-CD2 3.41Å; P44-L65 HydrophobicContact CG-CD1 4.21Å; P44-L65 HydrophobicContact CG-CD2 3.78Å; W61-L65 HydrophobicContact CB-CD1 4.04Å; W61-L65 HydrophobicContact CD2-CD1 3.6Å; W61-L65 HydrophobicContact CE3-CD1 2.92Å; W61-L65 HydrophobicContact CE3-CG 4.4Å; W61-L65 HydrophobicContact CG-CD1 4.11Å; W61-L65 HydrophobicContact CZ3-CD1 3.46Å; W61-L65 VanDerWaalsContact CZ3-CD1 3.46Å; A63-L65 PolarHBondContact O-N 3.4Å; A63-L65 VanDerWaalsContact O-N 3.16Å; L65-H67 PolarHBondContact O-CD2 3.19Å; L65-H67 VanDerWaalsContact O-CD2 3.28Å; L65-H67 PolarHBondContact O-N 2.96Å
66L81.9Confident72.8Confident46 Ų4675 Ų7524%0.24139%0.385CS..EExtended strand (participates in β ladder)trans-82.4114173.5-103.179.8000110A39 Y41 A63A39-L66 HydrophobicContact CB-CD2 3.55Å; A39-L66 HydrophobicContact CB-CG 4.07Å; Y41-L66 HydrophobicContact CD1-CD1 3.62Å; Y41-L66 HydrophobicContact CE1-CD1 3.15Å; Y41-L66 HydrophobicContact CE1-CG 4.48Å; Y41-L66 HydrophobicContact CE2-CD1 4.23Å; Y41-L66 HydrophobicContact CG-CD1 4.35Å; Y41-L66 VanDerWaalsContact CZ-CD1 3.49Å; A63-L66 PolarHBondContact O-N 3.01Å
67H88Confident74.7Confident49 Ų4968.6 Ų68.623%0.22737%0.369CS..EExtended strand (participates in β ladder)trans-110.3150.7174-67.1-93.9000110.4F7 E9 V40 R42 L65F7-H67 HydrophobicContact CD1-CB 3.53Å; F7-H67 HydrophobicContact CE1-CB 3.64Å; E9-H67 IonicContact OE1-ND1 3.41Å; E9-H67 WeakPolarHBondContact OE2-CB 3.24Å; E9-H67 IonicContact OE2-CE1 3.42Å; E9-H67 IonicContact OE2-CG 2.73Å; E9-H67 IonicContact OE2-ND1 3.33Å; E9-H67 PolarHBondContact OE2-ND1 3.13Å; V40-H67 PolarHBondContact N-O 3.15Å; V40-H67 PolarHBondContact O-N 3.16Å; R42-H67 WeakPolarHBondContact CB-CD2 3.37Å; L65-H67 PolarHBondContact O-CD2 3.19Å; L65-H67 VanDerWaalsContact O-CD2 3.28Å; L65-H67 PolarHBondContact O-N 2.96Å
68K91.6Very high76.4Confident125 Ų12569.6 Ų69.654%0.54336%0.359SS..EExtended strand (participates in β ladder)trans-82.2121.6176.6-66.1-174.6177.6-179.90108.7L8 E9 V37L8-K68 HydrophobicContact CB-CB 4.44Å; L8-K68 WeakPolarHBondContact CB-O 3.15Å; L8-K68 HydrophobicContact CD1-CB 3.99Å; L8-K68 PolarHBondContact N-O 3.3Å; E9-K68 PolarHBondContact OE1-N 3.36Å; V37-K68 HydrophobicContact CG1-CB 3.81Å; V37-K68 HydrophobicContact CG1-CD 4.46Å; V37-K68 HydrophobicContact CG1-CG 4.24Å
69A92.3Very high78.2Confident0 Ų070.2 Ų70.20%037%0.365CS..EExtended strand (participates in β ladder)trans-138.9157.8-179.100000112.7V5 R6 F7 Y38 V40V5-A69 HydrophobicContact CB-CB 4.19Å; R6-A69 CarbonylContact O-C 3.46Å; R6-A69 VanDerWaalsContact O-CA 3.22Å; R6-A69 WeakPolarHBondContact O-CA 3.4Å; R6-A69 WeakPolarHBondContact O-CB 3.42Å; F7-A69 HydrophobicContact CD1-CB 3.84Å; F7-A69 HydrophobicContact CE1-CB 4.18Å; F7-A69 HydrophobicContact CG-CB 4.36Å; Y38-A69 PolarHBondContact N-O 3.22Å; Y38-A69 PolarHBondContact O-N 3.34Å; V40-A69 HydrophobicContact CB-CB 4.18Å; V40-A69 HydrophobicContact CG2-CB 3.7Å
70Q92.6Very high79.6Confident0 Ų061.4 Ų61.40%034%0.336CS..EExtended strand (participates in β ladder)trans-107.9129.3175.8-179.6-175.133.900109V5 R6 N34 L72 P93V5-Q70 CarbonylContact C-O 3.57Å; V5-Q70 VanDerWaalsContact CA-O 3.3Å; V5-Q70 WeakPolarHBondContact CA-O 3.47Å; R6-Q70 PolarHBondContact N-O 3.28Å; R6-Q70 PolarHBondContact O-N 2.85Å; N34-Q70 PolarHBondContact O-NE2 2.93Å; Q70-L72 HydrophobicContact CG-CD2 4.15Å; Q70-P93 PolarHBondContact NE2-O 2.9Å
71I92.2Very high81Confident0 Ų054.3 Ų54.30%030%0.299CS..EExtended strand (participates in β ladder)trans-79.1126.3172-57.8174.5000108.6A3 V5 V21 F24 F32 Y38 L74A3-I71 HydrophobicContact CB-CG2 4.35Å; V5-I71 HydrophobicContact CG1-CG1 4.1Å; V21-I71 HydrophobicContact CG1-CD1 4.22Å; V21-I71 HydrophobicContact CG2-CD1 4.49Å; F24-I71 HydrophobicContact CD1-CD1 3.74Å; F24-I71 HydrophobicContact CD2-CD1 4.45Å; F24-I71 HydrophobicContact CE1-CD1 3.39Å; F24-I71 HydrophobicContact CE2-CD1 4.13Å; F24-I71 HydrophobicContact CG-CD1 4.28Å; F24-I71 HydrophobicContact CZ-CD1 3.6Å; F32-I71 HydrophobicContact CB-CB 4.3Å; F32-I71 HydrophobicContact CB-CD1 4.47Å; F32-I71 HydrophobicContact CB-CG2 3.91Å; F32-I71 HydrophobicContact CD2-CB 4.01Å; F32-I71 HydrophobicContact CD2-CG2 3.64Å; F32-I71 WeakPolarHBondContact CD2-O 3.49Å; F32-I71 HydrophobicContact CE2-CG2 4.31Å; F32-I71 WeakPolarHBondContact CE2-O 3.36Å; F32-I71 HydrophobicContact CG-CB 4.44Å; F32-I71 HydrophobicContact CG-CG2 3.82Å; Y38-I71 HydrophobicContact CD1-CD1 3.76Å; Y38-I71 HydrophobicContact CD1-CG1 4.45Å; Y38-I71 HydrophobicContact CD2-CB 4.24Å; Y38-I71 HydrophobicContact CD2-CD1 3.8Å; Y38-I71 HydrophobicContact CD2-CG1 3.6Å; Y38-I71 HydrophobicContact CE1-CD1 3.77Å; Y38-I71 HydrophobicContact CE2-CB 4.02Å; Y38-I71 HydrophobicContact CE2-CD1 3.81Å; Y38-I71 HydrophobicContact CE2-CG1 3.79Å; Y38-I71 HydrophobicContact CG-CD1 3.78Å; Y38-I71 HydrophobicContact CG-CG1 3.96Å; I71-L74 HydrophobicContact CG2-CD2 4.18Å; I71-L74 HydrophobicContact CG2-CG 4.43Å
72L90Very high82.4Confident13 Ų1353.3 Ų53.37%0.06830%0.298CS..EExtended strand (participates in β ladder)trans-105-30.2-178-65.7-178.1000112.9F4 R6 F32 Q70 I90 I92F4-L72 HydrophobicContact CD1-CB 3.87Å; F4-L72 HydrophobicContact CD1-CD1 3.91Å; F4-L72 HydrophobicContact CD1-CG 4.47Å; F4-L72 HydrophobicContact CE1-CD1 3.9Å; F4-L72 PolarHBondContact O-N 3.18Å; R6-L72 HydrophobicContact CB-CD1 3.86Å; R6-L72 HydrophobicContact CB-CG 4.27Å; F32-L72 WeakPolarHBondContact CE2-O 3.34Å; F32-L72 WeakPolarHBondContact CZ-O 3.24Å; Q70-L72 HydrophobicContact CG-CD2 4.15Å; L72-I90 HydrophobicContact CB-CG2 4.09Å; L72-I92 HydrophobicContact CD1-CG1 4.19Å; L72-I92 HydrophobicContact CD2-CG1 4.49Å; L72-I92 HydrophobicContact CD2-CG2 4.35Å
73A91.2Very high83.8Confident14 Ų1454.2 Ų54.212%0.11629%0.29CS..EExtended strand (participates in β ladder)trans-159.8157.3176.500000111.8F4 L81 I90F4-A73 HydrophobicContact CB-CB 4.24Å; F4-A73 PolarHBondContact N-O 2.87Å; A73-L81 HydrophobicContact CB-CD1 3.85Å; A73-I90 HydrophobicContact CB-CD1 4.07Å
74L92.2Very high84.8Confident13 Ų1351.5 Ų51.57%0.06827%0.267CS..EExtended strand (participates in β ladder)trans-123.4140.6170.2-65.1175.4000110.1M1 Y2 A3 V18 F24 P26 F32 I71M1-L74 HydrophobicContact SD-CB 4.22Å; M1-L74 HydrophobicContact SD-CD1 4.15Å; Y2-L74 WeakPolarHBondContact O-CA 3.48Å; A3-L74 HydrophobicContact CB-CD2 3.71Å; V18-L74 HydrophobicContact CG2-CD2 4.05Å; F24-L74 HydrophobicContact CE1-CD1 4.47Å; F24-L74 HydrophobicContact CE1-CD2 4.02Å; F24-L74 HydrophobicContact CZ-CD1 4.15Å; F24-L74 HydrophobicContact CZ-CD2 4.42Å; P26-L74 HydrophobicContact CB-CD1 3.72Å; P26-L74 HydrophobicContact CG-CD1 4.09Å; F32-L74 HydrophobicContact CB-CD1 4.1Å; F32-L74 HydrophobicContact CB-CG 4.42Å; F32-L74 HydrophobicContact CD1-CD1 3.79Å; F32-L74 HydrophobicContact CD1-CG 3.81Å; F32-L74 HydrophobicContact CE1-CG 4.45Å; F32-L74 HydrophobicContact CG-CD1 4.33Å; F32-L74 HydrophobicContact CG-CG 4.32Å; I71-L74 HydrophobicContact CG2-CD2 4.18Å; I71-L74 HydrophobicContact CG2-CG 4.43Å
75A89.9Confident85.8Confident4 Ų445.8 Ų45.83%0.03324%0.238CC..EExtended strand (participates in β ladder)trans-143159.2169.500000110.9M1 Y2 D80 L81M1-A75 CarbonylContact C-O 3.46Å; M1-A75 WeakPolarHBondContact CA-O 3.35Å; M1-A75 WeakPolarHBondContact CG-O 3.27Å; Y2-A75 PolarHBondContact N-O 2.89Å; Y2-A75 PolarHBondContact O-N 3.09Å; A75-D80 HydrophobicContact CB-CB 4.29Å; A75-L81 HydrophobicContact CB-CB 3.8Å; A75-L81 HydrophobicContact CB-CD1 3.9Å; A75-L81 HydrophobicContact CB-CG 4.41Å
76E87.2Confident85.8Confident103 Ų10351.3 Ų51.348%0.48127%0.265SS..SBendtrans-68.4-42.8179.7-77161.7-178.900111.4M1 R29M1-E76 VanDerWaalsContact CA-O 3.3Å; M1-E76 WeakPolarHBondContact CA-O 3.25Å; M1-E76 PolarHBondContact N-O 3.47Å; M1-E76 VanDerWaalsContact N-O 3.17Å; R29-E76 IonicContact CZ-OE2 2.68Å; R29-E76 IonicContact NE-OE1 2.82Å; R29-E76 IonicContact NE-OE2 2.78Å; R29-E76 IonicContact NH2-OE2 3.22Å; R29-E76 PolarHBondContact NH2-OE2 2.78Å
77D86Confident85Confident104 Ų10456.6 Ų56.656%0.55629%0.289SS*.SBendtrans-113.2146.3-177.7-61.7-46.7000112.5S79 D80 L81D77-S79 VanDerWaalsContact C-N 3.31Å; D77-S79 PolarHBondContact O-N 2.94Å; D77-D80 HydrophobicContact CB-CB 4.4Å; D77-D80 PolarHBondContact O-N 2.8Å; D77-L81 PolarHBondContact O-N 3.43Å
78K87.5Confident83.9Confident99 Ų9961 Ų6143%0.4331%0.307SS..Hα-helixtrans-58.2-43.1178.1-175178.9173-178.10111.7Y2 L81 E82Y2-K78 HydrophobicContact CD1-CB 4.04Å; Y2-K78 HydrophobicContact CD1-CG 4.33Å; Y2-K78 HydrophobicContact CD2-CB 4.1Å; Y2-K78 HydrophobicContact CE1-CB 3.94Å; Y2-K78 HydrophobicContact CE1-CD 4.32Å; Y2-K78 HydrophobicContact CE1-CG 4.32Å; Y2-K78 HydrophobicContact CE2-CB 4.01Å; Y2-K78 HydrophobicContact CG-CB 4.13Å; K78-L81 WeakPolarHBondContact O-CB 3.2Å; K78-L81 PolarHBondContact O-N 2.89Å; K78-E82 WeakPolarHBondContact CE-OE1 3.41Å; K78-E82 IonicContact NZ-OE1 3.9Å; K78-E82 WeakPolarHBondContact O-CG 3.29Å; K78-E82 PolarHBondContact O-N 2.98Å
79S83.9Confident82.6Confident76 Ų7665 Ų6553%0.53132%0.324SS..Hα-helixtrans-67.4-37.7-179-51.20000113.1D77 L81 E82 N83D77-S79 VanDerWaalsContact C-N 3.31Å; D77-S79 PolarHBondContact O-N 2.94Å; S79-L81 VanDerWaalsContact C-N 3.32Å; S79-E82 PolarHBondContact O-N 3.46Å; S79-N83 VanDerWaalsContact O-CB 3.29Å; S79-N83 WeakPolarHBondContact O-CB 3.29Å; S79-N83 PolarHBondContact O-N 2.91Å; S79-N83 PolarHBondContact O-ND2 2.93Å; S79-N83 VanDerWaalsContact O-ND2 3.09Å
80D83Confident81.5Confident65 Ų6567.3 Ų67.335%0.34834%0.336SS..Hα-helixtrans-64.8-39.2174.7-172.331.7000110.6R29 A75 D77 S84R29-D80 IonicContact CZ-OD2 2.74Å; R29-D80 IonicContact NH1-OD2 3.76Å; R29-D80 PolarHBondContact NH1-OD2 2.84Å; R29-D80 IonicContact NH2-OD2 3.58Å; A75-D80 HydrophobicContact CB-CB 4.29Å; D77-D80 HydrophobicContact CB-CB 4.4Å; D77-D80 PolarHBondContact O-N 2.8Å; D80-S84 VanDerWaalsContact O-CB 3.27Å; D80-S84 WeakPolarHBondContact O-CB 3.16Å; D80-S84 PolarHBondContact O-N 2.81Å
81L84.4Confident80.4Confident1 Ų176.3 Ų76.31%0.00538%0.375CS..Hα-helixtrans-63.1-49.8175.4-165.860.6000111.9F4 A15 A73 A75 D77 K78 S79 S84 V85F4-L81 HydrophobicContact CB-CD1 3.89Å; F4-L81 HydrophobicContact CB-CD2 3.94Å; F4-L81 HydrophobicContact CB-CG 3.99Å; A15-L81 HydrophobicContact CB-CD2 3.91Å; A73-L81 HydrophobicContact CB-CD1 3.85Å; A75-L81 HydrophobicContact CB-CB 3.8Å; A75-L81 HydrophobicContact CB-CD1 3.9Å; A75-L81 HydrophobicContact CB-CG 4.41Å; D77-L81 PolarHBondContact O-N 3.43Å; K78-L81 WeakPolarHBondContact O-CB 3.2Å; K78-L81 PolarHBondContact O-N 2.89Å; S79-L81 VanDerWaalsContact C-N 3.32Å; L81-S84 PolarHBondContact O-N 3.28Å; L81-V85 WeakPolarHBondContact O-CG2 3.43Å; L81-V85 PolarHBondContact O-N 2.67Å
82E83.1Confident79.6Confident79 Ų7980 Ų8037%0.36939%0.394SS..Hα-helixtrans-61.7-44.3178.9-72.9172.4169.200111.5K78 S79 S84 V85 M86K78-E82 WeakPolarHBondContact CE-OE1 3.41Å; K78-E82 IonicContact NZ-OE1 3.9Å; K78-E82 WeakPolarHBondContact O-CG 3.29Å; K78-E82 PolarHBondContact O-N 2.98Å; S79-E82 PolarHBondContact O-N 3.46Å; E82-S84 PolarHBondContact O-N 3.44Å; E82-V85 PolarHBondContact O-N 3.33Å; E82-M86 WeakPolarHBondContact O-CG 3.33Å; E82-M86 PolarHBondContact O-N 3.48Å
83N79.3Confident78.8Confident72 Ų7280.5 Ų80.539%0.38540%0.399SS..Hα-helixtrans-62.9-41.3174.6-73.8-31.7000112S79 V85 M86 Q87S79-N83 VanDerWaalsContact O-CB 3.29Å; S79-N83 WeakPolarHBondContact O-CB 3.29Å; S79-N83 PolarHBondContact O-N 2.91Å; S79-N83 PolarHBondContact O-ND2 2.93Å; S79-N83 VanDerWaalsContact O-ND2 3.09Å; N83-V85 VanDerWaalsContact C-N 3.33Å; N83-V85 PolarHBondContact O-N 2.96Å; N83-M86 PolarHBondContact O-N 3.31Å; N83-M86 WeakPolarHBondContact OD1-CE 3.22Å; N83-Q87 VanDerWaalsContact O-CB 3.29Å; N83-Q87 WeakPolarHBondContact O-CB 3.3Å; N83-Q87 WeakPolarHBondContact O-CG 3.16Å; N83-Q87 PolarHBondContact O-N 3.16Å
84S77.1Confident77.7Confident29 Ų2989.2 Ų89.220%0.20343%0.434CS..Hα-helixtrans-64.2-38.1176.3-175.80000111.8D80 L81 E82 K88D80-S84 VanDerWaalsContact O-CB 3.27Å; D80-S84 WeakPolarHBondContact O-CB 3.16Å; D80-S84 PolarHBondContact O-N 2.81Å; L81-S84 PolarHBondContact O-N 3.28Å; E82-S84 PolarHBondContact O-N 3.44Å; S84-K88 WeakPolarHBondContact O-CA 3.49Å; S84-K88 VanDerWaalsContact O-CB 3.27Å; S84-K88 WeakPolarHBondContact O-CB 3.36Å; S84-K88 PolarHBondContact O-N 3.43Å; S84-K88 VanDerWaalsContact O-O 3.12Å
85V75.9Confident76.2Confident42 Ų4290.9 Ų90.926%0.25544%0.443SS..Hα-helixtrans-66.7-42.9175.5174.90000111.1F4 L81 E82 N83 I90F4-V85 HydrophobicContact CB-CG2 4.43Å; F4-V85 HydrophobicContact CD1-CG2 3.69Å; F4-V85 HydrophobicContact CD2-CG2 3.71Å; F4-V85 HydrophobicContact CE1-CG1 3.91Å; F4-V85 HydrophobicContact CE1-CG2 3.75Å; F4-V85 HydrophobicContact CE2-CG1 4.08Å; F4-V85 HydrophobicContact CE2-CG2 3.76Å; F4-V85 HydrophobicContact CG-CG2 3.68Å; F4-V85 HydrophobicContact CZ-CB 4.35Å; F4-V85 HydrophobicContact CZ-CG1 3.56Å; F4-V85 HydrophobicContact CZ-CG2 3.78Å; L81-V85 WeakPolarHBondContact O-CG2 3.43Å; L81-V85 PolarHBondContact O-N 2.67Å; E82-V85 PolarHBondContact O-N 3.33Å; N83-V85 VanDerWaalsContact C-N 3.33Å; N83-V85 PolarHBondContact O-N 2.96Å; V85-I90 HydrophobicContact CB-CD1 4.17Å; V85-I90 HydrophobicContact CG2-CD1 3.51Å
86M72.7Confident74.6Confident143 Ų14395 Ų9570%0.70447%0.471SS*.Hα-helixtrans-71.3-40.2-179.3-71.8-169.4-70.600113E82 N83E82-M86 WeakPolarHBondContact O-CG 3.33Å; E82-M86 PolarHBondContact O-N 3.48Å; N83-M86 PolarHBondContact O-N 3.31Å; N83-M86 WeakPolarHBondContact OD1-CE 3.22Å
87Q65.7Low72.9Confident158 Ų15897 Ų9774%0.73848%0.484SS*.Hα-helixtrans-88.6-37.9-175.1-65.8-176.7-3.800113.3N83N83-Q87 VanDerWaalsContact O-CB 3.29Å; N83-Q87 WeakPolarHBondContact O-CB 3.3Å; N83-Q87 WeakPolarHBondContact O-CG 3.16Å; N83-Q87 PolarHBondContact O-N 3.16Å
88K63.9Low70.5Confident140 Ų14098.6 Ų98.661%0.60949%0.493SS*.SBendtrans-105.6112.5-179.6-58.5174.1-177.5164.80107.5S84 I90S84-K88 WeakPolarHBondContact O-CA 3.49Å; S84-K88 VanDerWaalsContact O-CB 3.27Å; S84-K88 WeakPolarHBondContact O-CB 3.36Å; S84-K88 PolarHBondContact O-N 3.43Å; S84-K88 VanDerWaalsContact O-O 3.12Å; K88-I90 VanDerWaalsContact C-N 3.32Å; K88-I90 WeakPolarHBondContact O-CG1 3.49Å; K88-I90 PolarHBondContact O-N 2.92Å
89K64.5Low68.2Low210 Ų210101.2 Ų101.291%0.91351%0.506SS*.  trans-54.795.1170.2-74.4-178.6176.3179.30109.5K91K89-K91 PolarHBondContact O-N 3.28Å; K89-K91 VanDerWaalsContact O-N 3.16Å
90I69.3Low66.1Low48 Ų48102.2 Ų102.225%0.24651%0.509CS..  trans-65.6118178.9-59.9-179.3000107.3F4 L72 A73 V85 K88 I92F4-I90 HydrophobicContact CD1-CD1 3.98Å; F4-I90 HydrophobicContact CE1-CD1 4.33Å; L72-I90 HydrophobicContact CB-CG2 4.09Å; A73-I90 HydrophobicContact CB-CD1 4.07Å; V85-I90 HydrophobicContact CB-CD1 4.17Å; V85-I90 HydrophobicContact CG2-CD1 3.51Å; K88-I90 VanDerWaalsContact C-N 3.32Å; K88-I90 WeakPolarHBondContact O-CG1 3.49Å; K88-I90 PolarHBondContact O-N 2.92Å; I90-I92 PolarHBondContact O-N 3.15Å; I90-I92 VanDerWaalsContact O-N 3.16Å
91K69.2Low63.9Low190 Ų190106.7 Ų106.783%0.82653%0.528SS*.  trans-76.2104.7-180-174.2-178.8-179.9-174.80108.3K89 P93K89-K91 PolarHBondContact O-N 3.28Å; K89-K91 VanDerWaalsContact O-N 3.16Å; K91-P93 WeakPolarHBondContact O-CD 3.46Å
92I75.8Confident61.6Low76 Ų76115 Ų11539%0.3957%0.567SS.*  trans-69.2111.9176.9-57.2174.1000109L72 I90L72-I92 HydrophobicContact CD1-CG1 4.19Å; L72-I92 HydrophobicContact CD2-CG1 4.49Å; L72-I92 HydrophobicContact CD2-CG2 4.35Å; I90-I92 PolarHBondContact O-N 3.15Å; I90-I92 VanDerWaalsContact O-N 3.16Å
93P73.4Confident59.2Low25 Ų25119.2 Ų119.216%0.16259%0.592CS.*PPolyproline II helixtrans-67.5137.7176.3-16.132.1000110.2N34 Q70 K91 L95N34-P93 HydrophobicContact CB-CG 3.96Å; Q70-P93 PolarHBondContact NE2-O 2.9Å; K91-P93 WeakPolarHBondContact O-CD 3.46Å; P93-L95 PolarHBondContact O-N 3.34Å
94K67.9Low57.1Low196 Ų196119.6 Ų119.685%0.85261%0.613SS**PPolyproline II helixtrans-72.7119.6169.5-68.5-174.8178.1-176.40108.2S96K94-S96 PolarHBondContact O-N 3.44Å
95L61.5Low54.9Low49 Ų49127.4 Ų127.426%0.25765%0.646SS.*PPolyproline II helixtrans-71.3120170.9-63.2178.4000108.6L8 Q35 V37 P93 L97L8-L95 HydrophobicContact CD1-CD1 4.13Å; L8-L95 HydrophobicContact CD2-CD1 3.66Å; Q35-L95 WeakPolarHBondContact O-CD2 3.33Å; V37-L95 HydrophobicContact CG2-CD1 3.96Å; P93-L95 PolarHBondContact O-N 3.34Å; L95-L97 PolarHBondContact O-N 3.01Å
96S56.3Low53.1Low91 Ų91132.2 Ų132.264%0.63668%0.675SS**  trans-74.1110.1157.344.40000106.4K94 N98K94-S96 PolarHBondContact O-N 3.44Å; S96-N98 PolarHBondContact O-N 3.05Å
97L51.2Low51.4Low143 Ų143134.4 Ų134.475%0.74968%0.68SS**  trans-7357.7177.5-162.578.3000110.3L95L95-L97 PolarHBondContact O-N 3.01Å
98N36Very low50.1Low138 Ų138131.7 Ų131.774%0.73867%0.671SS**  trans-130.742.2-177.5-66.43.5000110.6S96S96-N98 PolarHBondContact O-N 3.05Å
99H37.3Very low48.9Very low155 Ų155135.2 Ų135.272%0.71868%0.682SS**  trans-169.477.3159.8-128.856.6000108.8E101H99-E101 IonicContact NE2-OE1 3.93Å
100V40.5Very low47.5Very low96 Ų96128.7 Ų128.758%0.58267%0.674SS**  trans-12397.3152.8178.10000104.1E102V100-E102 PolarHBondContact O-N 3.04Å
101E36.6Very low46Very low160 Ų160134.6 Ų134.675%0.74870%0.701SS**  trans-67.7108.6162.8-62.2-178.4149.100106.7H99H99-E101 IonicContact NE2-OE1 3.93Å
102E37Very low44.2Very low175 Ų175133 Ų13382%0.81870%0.696SS**  trans-161.296.9149.5-118.5179.3176.700107.8V100V100-E102 PolarHBondContact O-N 3.04Å
103D32.7Very low42.2Very low168 Ų168135.9 Ų135.990%0.89871%0.713SS**  trans33111151.2-64.4-27.4000119.6
104G34.1Very low40.3Very low80 Ų80140.9 Ų140.983%0.82574%0.738SS**  trans166.6100.9162.900000112.7
105E31.8Very low38.3Very low193 Ų193140.8 Ų140.890%0.90274%0.74SS**  trans-43.8138.1176.2-60.7172.9125.700114
106V38.8Very low36.8Very low142 Ų142144.6 Ų144.686%0.86176%0.76SS**  170.1127.8118.71610000109.7
107K35.4Very low35.7Very low189 Ų189149.5 Ų149.582%0.82277%0.765SS**  trans-48158.9173.2-58.6160.2170.9173.50111.8
108D38.3Very low34.8Very low102 Ų102149.6 Ų149.655%0.54576%0.761SS.*  cis172.9152.448.8-149.2-14.4000110.2
109Y39.1Very low34.7Very low213 Ų213149.4 Ų149.484%0.83576%0.759SS**  trans55.8135.5167.9-50.4-69.2000119.7
110G35.9Very low34.5Very low73 Ų73150.8 Ų150.875%0.75376%0.762SS**  cis177.9142.35.100000109.2
111E37.3Very low34Very low172 Ų172157.1 Ų157.180%0.80478%0.776SS**  trans-24.2159.5156.8-70.1173167.400116
112E31.5Very low34.2Very low156 Ų156154.4 Ų154.473%0.72977%0.772SS**  cis-173.2172.71.2-109.8170.7-176.200105.8
113D33Very low34Very low138 Ų138155.4 Ų155.474%0.73878%0.777SS**  trans120.5141.4132.9-147.314.8000117.7
114L33.4Very low34.1Very low130 Ų130150.7 Ų150.768%0.68177%0.768SS**  trans92.564.5169.5-55.8159.5000117.5L116L114-L116 HydrophobicContact CD2-CD1 4.1Å
115Q25.9Very low34.2Very low194 Ų194159 Ų15991%0.90777%0.774SS**  trans-73.8110.8139.6-65.9177.919.800110.9
116L31.4Very low34.3Very low129 Ų129159.6 Ų159.668%0.67577%0.774SS**  trans-153.8128.5163.8-72.7178000105.6L114L114-L116 HydrophobicContact CD2-CD1 4.1Å
117R32.1Very low34.1Very low194 Ų194158.9 Ų158.973%0.73277%0.772SS**  cis-177.1147.828.4-109.7172.1-176.7-165.94.4109.8
118H32.8Very low34Very low145 Ų145155 Ų15567%0.67177%0.768SS**  trans68.7112.6145.8-57.9-47.3000120
119I33.7Very low33.8Very low134 Ų134159.1 Ų159.169%0.68778%0.784SS**  cis88110.644.8-64.3178.7000114.7
120K33.3Very low34Very low183 Ų183155.3 Ų155.380%0.79678%0.783SS**  trans69.4120148.1-67.4168.4-173.9-178.60120.2
121R30.8Very low34.4Very low230 Ų230155.3 Ų155.387%0.86878%0.776SS**  92.2161.657.2-127.9-151-97154.3-6.9112.5
122P39.7Very low34.8Very low102 Ų102156.5 Ų156.566%0.66278%0.781SS**  -132.5-166.4-92.845.5-28.2000113.8
123E34.2Very low36.3Very low197 Ų197155.4 Ų155.492%0.92177%0.774SS**  trans127.7133.7160-79.7-170.5151.800110.8
124G33Very low38.2Very low69 Ų69152.3 Ų152.371%0.71176%0.763SS**  cis-176-178.51.900000111
125R36.6Very low40.1Very low255 Ų255152.7 Ų152.796%0.96276%0.764SS**  trans86.8105.9169.5-65.9-178.1-173169.43.8119.6
126K33.6Very low42.5Very low205 Ų205150.7 Ų150.789%0.89176%0.755SS**  trans-58.3162.9156-66.5-176174.6-177.10111.3
127P35Very low44.7Very low127 Ų127146.8 Ų146.883%0.82574%0.741SS**  -138.6175.458.332.5-9000112.4
128S33.7Very low46.8Very low106 Ų106140.9 Ų140.974%0.74173%0.726SS**  cis-152.4153.525.458.30000110.9
129E34.7Very low49Very low189 Ų189137.4 Ų137.488%0.88372%0.715SS**  trans-67.2128.1165.1-69.2163.2131.200110.2
130V42.6Very low51.1Low134 Ų134133.4 Ų133.481%0.81270%0.702SS**  trans-127.7106.9149.9-174.70000106.8
131A43.8Very low53.5Low72 Ų72132.5 Ų132.560%0.59569%0.694SS**  trans-67.1132.7-172.200000112.4K133A131-K133 VanDerWaalsContact C-N 3.32Å; A131-K133 HydrophobicContact CB-CG 4.45Å; A131-K133 PolarHBondContact O-N 3.43Å
132H47Very low55.6Low198 Ų198126.1 Ų126.192%0.91768%0.677SS**  trans-67.394.8154.4-72.6-87.1000107.8
133K61.9Low57.4Low132 Ų132127.7 Ų127.757%0.57468%0.675SS**  trans-74.5124.4168.4-68176.7-179174.10107.6A131A131-K133 VanDerWaalsContact C-N 3.32Å; A131-K133 HydrophobicContact CB-CG 4.45Å; A131-K133 PolarHBondContact O-N 3.43Å
134S74.3Confident59.3Low73 Ų73126.9 Ų126.951%0.5167%0.669SS.*  trans-51.7138172.9-178.40000110.1E136 A137 V138S134-E136 PolarHBondContact O-N 2.88Å; S134-E136 VanDerWaalsContact O-N 3.15Å; S134-A137 WeakPolarHBondContact O-CB 3.03Å; S134-A137 PolarHBondContact O-N 3.18Å; S134-V138 PolarHBondContact O-N 3.4Å
135I72.2Confident61.2Low139 Ų139131.1 Ų131.171%0.71367%0.67SS**Hα-helixtrans-51.2-37.1177.5-70.1167.8000110.6A137 V138 V139I135-A137 VanDerWaalsContact C-N 3.31Å; I135-A137 PolarHBondContact O-N 2.92Å; I135-V138 WeakPolarHBondContact O-CA 3.42Å; I135-V138 WeakPolarHBondContact O-CB 3.31Å; I135-V138 PolarHBondContact O-N 2.99Å; I135-V139 HydrophobicContact CG2-CG2 4.25Å; I135-V139 WeakPolarHBondContact O-CG2 3.47Å; I135-V139 PolarHBondContact O-N 2.68Å
136E76.2Confident62.4Low152 Ų152125.5 Ų125.571%0.7166%0.659SS**Hα-helixtrans-60.6-37.4176.9-164.7175.4-165.500112.9S134 V138 V139 A140S134-E136 PolarHBondContact O-N 2.88Å; S134-E136 VanDerWaalsContact O-N 3.15Å; E136-V138 VanDerWaalsContact C-N 3.29Å; E136-V138 PolarHBondContact O-N 3.35Å; E136-V139 PolarHBondContact O-N 3.39Å; E136-A140 WeakPolarHBondContact O-CB 3.47Å; E136-A140 PolarHBondContact O-N 2.89Å
137A78.8Confident63.2Low46 Ų46118.7 Ų118.738%0.3865%0.646SS.*Hα-helixtrans-73.7-21.3175.600000112.9S134 I135 R141S134-A137 WeakPolarHBondContact O-CB 3.03Å; S134-A137 PolarHBondContact O-N 3.18Å; I135-A137 VanDerWaalsContact C-N 3.31Å; I135-A137 PolarHBondContact O-N 2.92Å; A137-R141 WeakPolarHBondContact O-CD 3.49Å; A137-R141 VanDerWaalsContact O-CG 3.28Å; A137-R141 WeakPolarHBondContact O-CG 3.3Å
138V76.2Confident63.7Low70 Ų70120 Ų12042%0.42465%0.646SS.*Hα-helixtrans-79.5-43.2171.7-179.50000110S134 I135 E136 R141 L142S134-V138 PolarHBondContact O-N 3.4Å; I135-V138 WeakPolarHBondContact O-CA 3.42Å; I135-V138 WeakPolarHBondContact O-CB 3.31Å; I135-V138 PolarHBondContact O-N 2.99Å; E136-V138 VanDerWaalsContact C-N 3.29Å; E136-V138 PolarHBondContact O-N 3.35Å; V138-R141 PolarHBondContact O-N 3.31Å; V138-L142 HydrophobicContact CG1-CD1 4.01Å; V138-L142 PolarHBondContact O-N 3.47Å
139V77.1Confident63.9Low72 Ų72120.2 Ų120.244%0.43665%0.647SS.*Hα-helixtrans-62-49.1176.5174.90000111.1I135 E136 R141 L142 E143I135-V139 HydrophobicContact CG2-CG2 4.25Å; I135-V139 WeakPolarHBondContact O-CG2 3.47Å; I135-V139 PolarHBondContact O-N 2.68Å; E136-V139 PolarHBondContact O-N 3.39Å; V139-R141 PolarHBondContact O-N 2.79Å; V139-R141 VanDerWaalsContact O-N 3.16Å; V139-L142 PolarHBondContact O-N 3.23Å; V139-E143 HydrophobicContact CG1-CG 4.43Å; V139-E143 PolarHBondContact O-N 3.48Å
140A79.2Confident64.1Low50 Ų50120 Ų12041%0.41365%0.651SS.*Hα-helixtrans-62-26.217800000113.5E136 K144E136-A140 WeakPolarHBondContact O-CB 3.47Å; E136-A140 PolarHBondContact O-N 2.89Å; A140-K144 PolarHBondContact O-N 2.86Å
141R82.3Confident63.7Low164 Ų164116.8 Ų116.862%0.61965%0.645SS**Hα-helixtrans-77.4-38.4173.6-79.8178.1177.1-148.9-4.3112.2A137 V138 V139 K144 Q145A137-R141 WeakPolarHBondContact O-CD 3.49Å; A137-R141 VanDerWaalsContact O-CG 3.28Å; A137-R141 WeakPolarHBondContact O-CG 3.3Å; V138-R141 PolarHBondContact O-N 3.31Å; V139-R141 PolarHBondContact O-N 2.79Å; V139-R141 VanDerWaalsContact O-N 3.16Å; R141-K144 PolarHBondContact O-N 2.93Å; R141-Q145 PolarHBondContact O-N 3.26Å; R141-Q145 VanDerWaalsContact O-N 3.15Å
142L75.6Confident63.3Low97 Ų97122.5 Ų122.551%0.50866%0.659SS.*Hα-helixtrans-66.7-41.9175.7-103.2102.6000111.8V138 V139 K144 Q145 N146V138-L142 HydrophobicContact CG1-CD1 4.01Å; V138-L142 PolarHBondContact O-N 3.47Å; V139-L142 PolarHBondContact O-N 3.23Å; L142-K144 VanDerWaalsContact C-N 3.31Å; L142-K144 PolarHBondContact O-N 3.34Å; L142-Q145 PolarHBondContact O-N 2.93Å; L142-Q145 VanDerWaalsContact O-N 3.13Å; L142-N146 PolarHBondContact O-N 2.84Å
143E78Confident62.7Low135 Ų135118 Ų11863%0.63165%0.649SS**Hα-helixtrans-63.2-38.1176.8-69.6176.4160.500111.7V139 Q145 N146 G147V139-E143 HydrophobicContact CG1-CG 4.43Å; V139-E143 PolarHBondContact O-N 3.48Å; E143-Q145 VanDerWaalsContact C-N 3.33Å; E143-Q145 PolarHBondContact O-N 2.86Å; E143-N146 PolarHBondContact O-N 2.91Å; E143-G147 PolarHBondContact O-N 2.9Å
144K74.7Confident61.4Low180 Ų180117.4 Ų117.478%0.78366%0.657SS**Hα-helixtrans-68.7-26.8173.6-95.3-174.8174.2179.70114.3A140 R141 L142A140-K144 PolarHBondContact O-N 2.86Å; R141-K144 PolarHBondContact O-N 2.93Å; L142-K144 VanDerWaalsContact C-N 3.31Å; L142-K144 PolarHBondContact O-N 3.34Å
145Q72Confident59.4Low157 Ų157120.1 Ų120.173%0.73468%0.675SS**Hα-helixtrans-83.6-26.1177.2-102.1-179.5-24.200113.2R141 L142 E143R141-Q145 PolarHBondContact O-N 3.26Å; R141-Q145 VanDerWaalsContact O-N 3.15Å; L142-Q145 PolarHBondContact O-N 2.93Å; L142-Q145 VanDerWaalsContact O-N 3.13Å; E143-Q145 VanDerWaalsContact C-N 3.33Å; E143-Q145 PolarHBondContact O-N 2.86Å
146N62.6Low57.8Low138 Ų138118.6 Ų118.674%0.73867%0.674SS**Hα-helixtrans-97.2-3.4-179.5-69.5-16.7000114.3L142 E143L142-N146 PolarHBondContact O-N 2.84Å; E143-N146 PolarHBondContact O-N 2.91Å
147G49.9Very low55.9Low61 Ų61120 Ų12063%0.62968%0.68SS**  trans-104.621.7-173.300000116.8E143 S149E143-G147 PolarHBondContact O-N 2.9Å; G147-S149 PolarHBondContact O-N 2.98Å
148L44.8Very low54Low156 Ų156126.5 Ų126.582%0.81770%0.703SS**  trans-77.8107.1-180-76.7167000112
149S38.3Very low52.4Low109 Ų109129.7 Ų129.776%0.76272%0.722SS**SBendtrans96.372.8146.7-154.60000118.2G147G147-S149 PolarHBondContact O-N 2.98Å
150L38.5Very low50.6Low185 Ų185135.1 Ų135.197%0.96974%0.74SS**  trans-149.597.3140.1-138.777.8000109.5
151G34.9Very low49.4Very low66 Ų66138.8 Ų138.868%0.6876%0.757SS**  trans-168.9101.7-179.700000112.9
152H34.8Very low47.3Very low193 Ų193139 Ų13989%0.89477%0.765SS**  trans122.896.5153.8-77.4-71.5000114.8
153S34.8Very low45.7Very low102 Ų102138.8 Ų138.871%0.71378%0.778SS**  176.2108.2100.7-176.40000110
154T34Very low44.1Very low121 Ų121138 Ų13874%0.74279%0.788SS**  25.1114.5128.590000117.7
155C33.4Very low42.7Very low129 Ų129135.4 Ų135.487%0.87279%0.789SS**  trans-163.5133.2130.1-103.70000110.7
156P36.9Very low41.3Very low107 Ų107131.5 Ų131.570%0.69579%0.791SS**  trans-95.2165.6-17138.4-34.6000113.7
157E36.6Very low40.4Very low181 Ų181131.1 Ų131.185%0.84679%0.793SS**  trans76111.9144.9-109.8171.1132.700120.8
158E40.2Very low40.3Very low183 Ų183136.7 Ų136.786%0.85580%0.803SS**  trans-5.8126.9149.3-47.6-160161.100118.5
159V42.6Very low40.4Very low137 Ų137136.2 Ų136.283%0.8380%0.802SS**  -153.2119.4122.5175.70000108.6V161V159-V161 HydrophobicContact CG1-CG2 4.16Å
160F38.4Very low41Very low186 Ų186138.6 Ų138.682%0.81680%0.803SS**  trans-85115.3171.2-170.8-88.3000108.9
161V53.9Low41.3Very low128 Ų128137 Ų13778%0.77680%0.795SS**  trans-145.4113.5155.4-174.90000110.1V159V159-V161 HydrophobicContact CG1-CG2 4.16Å
162E38.9Very low42Very low167 Ų167138.7 Ų138.778%0.7880%0.796SS**  trans-79.4132.5170.4-154.9-174.9-160.800109.7
163A40.8Very low42.7Very low93 Ų93138 Ų13877%0.76980%0.798SS**  trans-16689.4156.800000111.6
164S45.5Very low43.3Very low120 Ų120141.2 Ų141.284%0.83980%0.802SS**  trans43154.4133.8-91.40000124.3
165P45.5Very low44.2Very low125 Ų125142 Ų14281%0.81280%0.802SS**  trans-97.3153.4-145.338.4-34.2000113.8
166G42.2Very low45.4Very low75 Ų75140.5 Ų140.577%0.77380%0.799SS**  trans-133.4113.8173.900000109.9
167T44.5Very low46.9Very low129 Ų129140.3 Ų140.379%0.79180%0.795SS**  trans-49.9145.1175.8-29.90000113.4
168E46.1Very low48.8Very low178 Ų178136.3 Ų136.383%0.83278%0.783SS**  trans139.8142.4138-73.6169.7-166.600114.2
169D48.4Very low50.8Low147 Ų147131.2 Ų131.279%0.78677%0.766SS**  trans79.397.2175.6-72-23.9000118.8
170M49.5Very low52.7Low159 Ų159134.5 Ų134.578%0.78376%0.763SS**  89.3108.969.7-80.6-82.2-12800111.9
171D44.8Very low55Low152 Ų152128.9 Ų128.981%0.81375%0.751SS**  trans48.883.8148.2-69.7-22.3000118.5
172S50.8Low56.6Low100 Ų100127.6 Ų127.670%0.69974%0.739SS**  trans-141.476.7148.5-163.80000109.8E174S172-E174 PolarHBondContact O-N 3.1Å
173L49.2Very low59Low180 Ų180126.4 Ų126.494%0.94273%0.729SS**  trans-79.161.1168.4-164.580.4000108.8D175L173-D175 PolarHBondContact O-N 3.02Å
174E46.9Very low61.5Low168 Ų168126.8 Ų126.879%0.78572%0.715SS**  trans-84.596.1169.2-79.7-165.5163.900109.2S172 A176S172-E174 PolarHBondContact O-N 3.1Å; E174-A176 PolarHBondContact O-N 3.02Å; E174-A176 VanDerWaalsContact O-N 3.13Å
175D53.4Low63.7Low138 Ų138126.4 Ų126.474%0.73870%0.7SS**  trans7.592.4148-15117.8000114.5L173 V177L173-D175 PolarHBondContact O-N 3.02Å; D175-V177 HydrophobicContact CB-CG2 4.21Å; D175-V177 PolarHBondContact O-N 3.42Å; D175-V177 WeakPolarHBondContact OD2-CG2 3.3Å
176A58.2Low66Low98 Ų98126 Ų12681%0.8169%0.69SS**  trans-71.873.3175.800000110.1E174 V178E174-A176 PolarHBondContact O-N 3.02Å; E174-A176 VanDerWaalsContact O-N 3.13Å; A176-V178 PolarHBondContact O-N 2.98Å; A176-V178 VanDerWaalsContact O-N 3.15Å
177V69.3Low68.5Low103 Ų103125.6 Ų125.662%0.62467%0.67SS**  trans-73.3103.2177.9179.80000108.5D175 P179D175-V177 HydrophobicContact CB-CG2 4.21Å; D175-V177 PolarHBondContact O-N 3.42Å; D175-V177 WeakPolarHBondContact OD2-CG2 3.3Å; V177-P179 WeakPolarHBondContact O-CD 3.13Å
178V74.6Confident70.8Confident97 Ų97127.9 Ų127.959%0.58866%0.664SS**  trans-59.5124171.31790000108.7A176 R180 L182A176-V178 PolarHBondContact O-N 2.98Å; A176-V178 VanDerWaalsContact O-N 3.15Å; V178-R180 PolarHBondContact O-N 2.9Å; V178-L182 HydrophobicContact CG1-CB 4.32Å
179P83.7Confident73.1Confident76 Ų76123.4 Ų123.449%0.49465%0.646SS.*  trans-51.2126.4176.9-28.534.3000111.2V177 A181 L182 Y183V177-P179 WeakPolarHBondContact O-CD 3.13Å; P179-A181 PolarHBondContact O-N 3.46Å; P179-L182 HydrophobicContact CB-CD1 4.4Å; P179-L182 HydrophobicContact CB-CG 4.43Å; P179-L182 HydrophobicContact CG-CD1 4.21Å; P179-L182 PolarHBondContact O-N 2.96Å; P179-Y183 PolarHBondContact O-N 3.49Å
180R82.7Confident75.3Confident205 Ų205122.6 Ų122.677%0.77463%0.633SS**Hα-helixtrans-49.3-35.9-178.9-87.2179.3172.8-112.91113.4V178 L182 Y183 E184V178-R180 PolarHBondContact O-N 2.9Å; R180-L182 PolarHBondContact O-N 3.47Å; R180-Y183 PolarHBondContact O-N 3.24Å; R180-E184 WeakPolarHBondContact O-CG 3.35Å; R180-E184 PolarHBondContact O-N 2.78Å
181A85.7Confident77.4Confident69 Ų69120.1 Ų120.157%0.5762%0.619SS**Hα-helixtrans-61.3-41177.900000113.1P179 E184 E185P179-A181 PolarHBondContact O-N 3.46Å; A181-E184 PolarHBondContact O-N 3.41Å; A181-E185 WeakPolarHBondContact O-CB 3.47Å; A181-E185 PolarHBondContact O-N 3.32Å
182L88.7Confident79.9Confident100 Ų100117.7 Ų117.752%0.52460%0.603SS.*Hα-helixtrans-69-37.2177.1-68.4177.3000111.5V178 P179 R180 E185 L186V178-L182 HydrophobicContact CG1-CB 4.32Å; P179-L182 HydrophobicContact CB-CD1 4.4Å; P179-L182 HydrophobicContact CB-CG 4.43Å; P179-L182 HydrophobicContact CG-CD1 4.21Å; P179-L182 PolarHBondContact O-N 2.96Å; R180-L182 PolarHBondContact O-N 3.47Å; L182-E185 PolarHBondContact O-N 3.16Å; L182-L186 WeakPolarHBondContact O-CB 3.14Å; L182-L186 PolarHBondContact O-N 2.87Å
183Y89.2Confident81.9Confident142 Ų142118.7 Ų118.756%0.55760%0.596SS**Hα-helixtrans-64.7-44.2174.6177-106.1000111.8P179 R180 L186 L187P179-Y183 PolarHBondContact O-N 3.49Å; R180-Y183 PolarHBondContact O-N 3.24Å; Y183-L186 PolarHBondContact O-N 2.93Å; Y183-L187 HydrophobicContact CD1-CD1 3.63Å; Y183-L187 HydrophobicContact CD2-CD1 4.36Å; Y183-L187 HydrophobicContact CE1-CD1 3.17Å; Y183-L187 HydrophobicContact CE2-CD1 3.96Å; Y183-L187 HydrophobicContact CG-CD1 4.21Å; Y183-L187 PolarHBondContact O-N 2.9Å
184E91.9Very high84.1Confident101 Ų101114.1 Ų114.147%0.47257%0.57SS.*Hα-helixtrans-63.9-39.6176-73.7174.2-163.700112.4R180 A181 L187 R188R180-E184 WeakPolarHBondContact O-CG 3.35Å; R180-E184 PolarHBondContact O-N 2.78Å; A181-E184 PolarHBondContact O-N 3.41Å; E184-L187 WeakPolarHBondContact O-CB 3.44Å; E184-L187 PolarHBondContact O-N 3.38Å; E184-R188 WeakPolarHBondContact O-CG 3.38Å; E184-R188 PolarHBondContact O-N 3.38Å
185E92.7Very high86.3Confident112 Ų112111.7 Ų111.752%0.52356%0.559SS.*Hα-helixtrans-66.2-43.1175.2-174.1168.8-164.400111.9A181 L182 L187 R188 N189A181-E185 WeakPolarHBondContact O-CB 3.47Å; A181-E185 PolarHBondContact O-N 3.32Å; L182-E185 PolarHBondContact O-N 3.16Å; E185-L187 VanDerWaalsContact C-N 3.3Å; E185-L187 PolarHBondContact O-N 3.16Å; E185-R188 PolarHBondContact O-N 2.73Å; E185-N189 WeakPolarHBondContact O-CB 3.41Å; E185-N189 PolarHBondContact O-N 2.94Å; E185-N189 PolarHBondContact O-ND2 3.44Å
186L94Very high88.3Confident118 Ų118110.3 Ų110.362%0.61855%0.548SS*.Hα-helixtrans-60.8-40174.9-17563.7000111.8L182 Y183 N189 Y190L182-L186 WeakPolarHBondContact O-CB 3.14Å; L182-L186 PolarHBondContact O-N 2.87Å; Y183-L186 PolarHBondContact O-N 2.93Å; L186-N189 PolarHBondContact O-N 2.97Å; L186-Y190 VanDerWaalsContact O-CB 3.3Å; L186-Y190 WeakPolarHBondContact O-CB 3.48Å; L186-Y190 PolarHBondContact O-N 2.83Å
187L93.8Very high90Very high65 Ų65110.1 Ų110.134%0.3453%0.531SS..Hα-helixtrans-62.1-44.2173.6-96.6146.3000112.4Y183 E184 E185 Y190 Q191Y183-L187 HydrophobicContact CD1-CD1 3.63Å; Y183-L187 HydrophobicContact CD2-CD1 4.36Å; Y183-L187 HydrophobicContact CE1-CD1 3.17Å; Y183-L187 HydrophobicContact CE2-CD1 3.96Å; Y183-L187 HydrophobicContact CG-CD1 4.21Å; Y183-L187 PolarHBondContact O-N 2.9Å; E184-L187 WeakPolarHBondContact O-CB 3.44Å; E184-L187 PolarHBondContact O-N 3.38Å; E185-L187 VanDerWaalsContact C-N 3.3Å; E185-L187 PolarHBondContact O-N 3.16Å; L187-Y190 PolarHBondContact O-N 3.04Å; L187-Q191 WeakPolarHBondContact O-CB 3.33Å; L187-Q191 VanDerWaalsContact O-CG 3.3Å; L187-Q191 WeakPolarHBondContact O-CG 3.48Å; L187-Q191 PolarHBondContact O-N 2.9Å
188R93.7Very high91.2Very high178 Ų178111.7 Ų111.767%0.67253%0.526SS*.Hα-helixtrans-64.5-45.4176.3-74.4-177-177.5177.44.3111.9E184 E185 Y190 Q191 Q192E184-R188 WeakPolarHBondContact O-CG 3.38Å; E184-R188 PolarHBondContact O-N 3.38Å; E185-R188 PolarHBondContact O-N 2.73Å; R188-Y190 VanDerWaalsContact C-N 3.34Å; R188-Y190 PolarHBondContact O-N 2.95Å; R188-Q191 PolarHBondContact O-N 2.75Å; R188-Q192 PolarHBondContact O-N 3.23Å
189N93.1Very high92.2Very high83 Ų83111.8 Ų111.844%0.44452%0.52SS..Hα-helixtrans-61.5-42.5176.9-75.5-27.4000111.4E185 L186 Q192 Q193E185-N189 WeakPolarHBondContact O-CB 3.41Å; E185-N189 PolarHBondContact O-N 2.94Å; E185-N189 PolarHBondContact O-ND2 3.44Å; L186-N189 PolarHBondContact O-N 2.97Å; N189-Q192 PolarHBondContact O-N 2.88Å; N189-Q193 WeakPolarHBondContact O-CB 3.45Å; N189-Q193 PolarHBondContact O-N 2.74Å
190Y94.8Very high92.7Very high131 Ų131112.9 Ų112.951%0.51452%0.521SS..Hα-helixtrans-63.7-41.6175.4-179.5-108.3000112.3L186 L187 R188 Q193 Q194L186-Y190 VanDerWaalsContact O-CB 3.3Å; L186-Y190 WeakPolarHBondContact O-CB 3.48Å; L186-Y190 PolarHBondContact O-N 2.83Å; L187-Y190 PolarHBondContact O-N 3.04Å; R188-Y190 VanDerWaalsContact C-N 3.34Å; R188-Y190 PolarHBondContact O-N 2.95Å; Y190-Q193 PolarHBondContact O-N 2.91Å; Y190-Q194 HydrophobicContact CE1-CG 4.22Å; Y190-Q194 HydrophobicContact CE2-CG 4.47Å; Y190-Q194 WeakPolarHBondContact O-CG 3.36Å; Y190-Q194 PolarHBondContact O-N 3.03Å; Y190-Q194 PolarHBondContact OH-NE2 3.39Å
191Q95.2Very high93.3Very high106 Ų106108.9 Ų108.950%0.49551%0.511SS..Hα-helixtrans-63-44.3175.1-75.9174.4-0.900112.2L187 R188 Q194 E195L187-Q191 WeakPolarHBondContact O-CB 3.33Å; L187-Q191 VanDerWaalsContact O-CG 3.3Å; L187-Q191 WeakPolarHBondContact O-CG 3.48Å; L187-Q191 PolarHBondContact O-N 2.9Å; R188-Q191 PolarHBondContact O-N 2.75Å; Q191-Q194 WeakPolarHBondContact O-CB 3.39Å; Q191-Q194 PolarHBondContact O-N 3.02Å; Q191-E195 PolarHBondContact O-N 3.24Å
192Q95.8Very high93.7Very high101 Ų101110.6 Ų110.647%0.47251%0.507SS..Hα-helixtrans-61.7-45.4175.4-178.4177.3-12.200111.1R188 N189 Q194 E195 E196R188-Q192 PolarHBondContact O-N 3.23Å; N189-Q192 PolarHBondContact O-N 2.88Å; Q192-Q194 VanDerWaalsContact C-N 3.26Å; Q192-Q194 PolarHBondContact O-N 3.02Å; Q192-E195 WeakPolarHBondContact O-CA 3.41Å; Q192-E195 WeakPolarHBondContact O-CB 3.31Å; Q192-E195 PolarHBondContact O-N 3.32Å; Q192-E196 HydrophobicContact CG-CG 4.5Å; Q192-E196 PolarHBondContact NE2-OE1 2.94Å; Q192-E196 WeakPolarHBondContact O-CG 3.29Å; Q192-E196 PolarHBondContact O-N 3.47Å
193Q93.8Very high94Very high121 Ų121109.9 Ų109.957%0.56550%0.501SS*.Hα-helixtrans-61.4-35.8176.7-167.4176.416.900111.8N189 Y190 M197N189-Q193 WeakPolarHBondContact O-CB 3.45Å; N189-Q193 PolarHBondContact O-N 2.74Å; Y190-Q193 PolarHBondContact O-N 2.91Å; Q193-M197 VanDerWaalsContact O-CB 3.31Å; Q193-M197 WeakPolarHBondContact O-CB 3.47Å; Q193-M197 VanDerWaalsContact O-CG 3.29Å; Q193-M197 WeakPolarHBondContact O-CG 3.48Å; Q193-M197 PolarHBondContact O-N 3.39Å
194Q94.6Very high94.2Very high85 Ų85108.4 Ų108.440%0.39750%0.502SS..Hα-helixtrans-67-33.3172.6-75.8-171.3-2400113.2Y190 Q191 Q192 R198Y190-Q194 HydrophobicContact CE1-CG 4.22Å; Y190-Q194 HydrophobicContact CE2-CG 4.47Å; Y190-Q194 WeakPolarHBondContact O-CG 3.36Å; Y190-Q194 PolarHBondContact O-N 3.03Å; Y190-Q194 PolarHBondContact OH-NE2 3.39Å; Q191-Q194 WeakPolarHBondContact O-CB 3.39Å; Q191-Q194 PolarHBondContact O-N 3.02Å; Q192-Q194 VanDerWaalsContact C-N 3.26Å; Q192-Q194 PolarHBondContact O-N 3.02Å; Q194-R198 WeakPolarHBondContact O-CG 3.45Å; Q194-R198 PolarHBondContact O-N 3.31Å; Q194-R198 VanDerWaalsContact O-N 3.15Å; Q194-R198 PolarHBondContact O-NE 3.46Å
195E94.9Very high94.3Very high117 Ų117107 Ų10755%0.54750%0.496SS..Hα-helixtrans-70.5-45.4173.6-78.3177.6-178.600112.1Q191 Q192 M197 R198 H199Q191-E195 PolarHBondContact O-N 3.24Å; Q192-E195 WeakPolarHBondContact O-CA 3.41Å; Q192-E195 WeakPolarHBondContact O-CB 3.31Å; Q192-E195 PolarHBondContact O-N 3.32Å; E195-M197 VanDerWaalsContact C-N 3.34Å; E195-M197 PolarHBondContact O-N 2.66Å; E195-R198 WeakPolarHBondContact O-CB 3.37Å; E195-R198 PolarHBondContact O-N 3.37Å; E195-R198 VanDerWaalsContact O-N 3.14Å; E195-R198 IonicContact OE1-NH2 3.69Å; E195-H199 PolarHBondContact O-N 3.13Å
196E94.3Very high94.3Very high109 Ų109108 Ų10851%0.50950%0.495SS..Hα-helixtrans-60.5-44175.1-71.6174.9-171.800111.1Q192 R198 H199 L200Q192-E196 HydrophobicContact CG-CG 4.5Å; Q192-E196 PolarHBondContact NE2-OE1 2.94Å; Q192-E196 WeakPolarHBondContact O-CG 3.29Å; Q192-E196 PolarHBondContact O-N 3.47Å; E196-R198 VanDerWaalsContact C-N 3.32Å; E196-R198 PolarHBondContact O-N 3.09Å; E196-H199 PolarHBondContact O-N 3.14Å; E196-L200 WeakPolarHBondContact O-CB 3.28Å; E196-L200 PolarHBondContact O-N 3.35Å
197M93.2Very high94.2Very high93 Ų93105.6 Ų105.646%0.45849%0.485SS..Hα-helixtrans-59.2-41.2173.6-82.6-58.9-37.800112.5Q193 E195 Q201Q193-M197 VanDerWaalsContact O-CB 3.31Å; Q193-M197 WeakPolarHBondContact O-CB 3.47Å; Q193-M197 VanDerWaalsContact O-CG 3.29Å; Q193-M197 WeakPolarHBondContact O-CG 3.48Å; Q193-M197 PolarHBondContact O-N 3.39Å; E195-M197 VanDerWaalsContact C-N 3.34Å; E195-M197 PolarHBondContact O-N 2.66Å; M197-Q201 WeakPolarHBondContact O-CB 3.43Å; M197-Q201 VanDerWaalsContact O-CG 3.28Å; M197-Q201 WeakPolarHBondContact O-CG 3.47Å; M197-Q201 PolarHBondContact O-N 2.99Å
198R94.4Very high94.2Very high137 Ų137109.9 Ų109.952%0.51750%0.497SS..Hα-helixtrans-66.7-41175.8-80.2-175.7-73.7155.9-8.4111.9Q194 E195 E196 Q201 Q202Q194-R198 WeakPolarHBondContact O-CG 3.45Å; Q194-R198 PolarHBondContact O-N 3.31Å; Q194-R198 VanDerWaalsContact O-N 3.15Å; Q194-R198 PolarHBondContact O-NE 3.46Å; E195-R198 WeakPolarHBondContact O-CB 3.37Å; E195-R198 PolarHBondContact O-N 3.37Å; E195-R198 VanDerWaalsContact O-N 3.14Å; E195-R198 IonicContact OE1-NH2 3.69Å; E196-R198 VanDerWaalsContact C-N 3.32Å; E196-R198 PolarHBondContact O-N 3.09Å; R198-Q201 PolarHBondContact O-N 2.87Å; R198-Q202 WeakPolarHBondContact O-CG 3.36Å; R198-Q202 PolarHBondContact O-N 3.21Å; R198-Q202 VanDerWaalsContact O-N 3.13Å
199H95.6Very high94.1Very high99 Ų99108.7 Ų108.746%0.45849%0.492SS..Hα-helixtrans-62.9-48.5176.8-174.2-94000111.1E195 E196 Q201 Q202 E203E195-H199 PolarHBondContact O-N 3.13Å; E196-H199 PolarHBondContact O-N 3.14Å; H199-Q201 VanDerWaalsContact C-N 3.3Å; H199-Q201 PolarHBondContact O-N 3.39Å; H199-Q202 WeakPolarHBondContact O-CB 3.38Å; H199-Q202 PolarHBondContact O-N 3.15Å; H199-E203 IonicContact CE1-OE1 3.9Å; H199-E203 PolarHBondContact CE1-OE1 3.38Å; H199-E203 IonicContact CE1-OE2 3.66Å; H199-E203 IonicContact ND1-OE1 3.75Å; H199-E203 IonicContact ND1-OE2 3.99Å; H199-E203 IonicContact NE2-OE1 3.62Å; H199-E203 PolarHBondContact O-N 3.47Å
200L95.6Very high94.2Very high98 Ų98110.3 Ų110.351%0.51350%0.497SS..Hα-helixtrans-61.9-38.4179.1-168.665.2000111.8E196 Q202 E203 L204E196-L200 WeakPolarHBondContact O-CB 3.28Å; E196-L200 PolarHBondContact O-N 3.35Å; L200-Q202 PolarHBondContact O-N 3.48Å; L200-E203 PolarHBondContact O-N 2.91Å; L200-L204 WeakPolarHBondContact O-CB 3.43Å; L200-L204 PolarHBondContact O-N 2.86Å
201Q94.5Very high94.2Very high122 Ų122109.2 Ų109.257%0.5750%0.5SS*.Hα-helixtrans-61-41.3172.6-80.3177.5-16.400112.6M197 R198 H199 E205M197-Q201 WeakPolarHBondContact O-CB 3.43Å; M197-Q201 VanDerWaalsContact O-CG 3.28Å; M197-Q201 WeakPolarHBondContact O-CG 3.47Å; M197-Q201 PolarHBondContact O-N 2.99Å; R198-Q201 PolarHBondContact O-N 2.87Å; H199-Q201 VanDerWaalsContact C-N 3.3Å; H199-Q201 PolarHBondContact O-N 3.39Å; Q201-E205 WeakPolarHBondContact O-CB 3.18Å; Q201-E205 PolarHBondContact O-N 3.05Å
202Q95.1Very high94.2Very high105 Ų105108.7 Ų108.749%0.49150%0.503SS..Hα-helixtrans-67-39.8176.7-70179.210.300112.2R198 H199 L200 E205 R206R198-Q202 WeakPolarHBondContact O-CG 3.36Å; R198-Q202 PolarHBondContact O-N 3.21Å; R198-Q202 VanDerWaalsContact O-N 3.13Å; H199-Q202 WeakPolarHBondContact O-CB 3.38Å; H199-Q202 PolarHBondContact O-N 3.15Å; L200-Q202 PolarHBondContact O-N 3.48Å; Q202-E205 PolarHBondContact O-N 3.36Å; Q202-R206 WeakPolarHBondContact O-CG 3.48Å; Q202-R206 PolarHBondContact O-N 2.78Å
203E94.2Very high94.1Very high84 Ų84109.9 Ų109.939%0.39351%0.509SS..Hα-helixtrans-65.3-42.8175.6-70.6-172.314400112.2H199 L200 E205 R206 T207H199-E203 IonicContact CE1-OE1 3.9Å; H199-E203 PolarHBondContact CE1-OE1 3.38Å; H199-E203 IonicContact CE1-OE2 3.66Å; H199-E203 IonicContact ND1-OE1 3.75Å; H199-E203 IonicContact ND1-OE2 3.99Å; H199-E203 IonicContact NE2-OE1 3.62Å; H199-E203 PolarHBondContact O-N 3.47Å; L200-E203 PolarHBondContact O-N 2.91Å; E203-E205 VanDerWaalsContact C-N 3.29Å; E203-E205 PolarHBondContact O-N 3.01Å; E203-R206 PolarHBondContact O-N 3.03Å; E203-T207 WeakPolarHBondContact O-CG2 3.5Å; E203-T207 PolarHBondContact O-N 2.74Å; E203-T207 PolarHBondContact O-OG1 2.68Å
204L93.4Very high94Very high111 Ų111109.9 Ų109.958%0.58151%0.509SS*.Hα-helixtrans-61.7-39.1175.2-165.9150.1000111.4L200 T207 R208L200-L204 WeakPolarHBondContact O-CB 3.43Å; L200-L204 PolarHBondContact O-N 2.86Å; L204-T207 WeakPolarHBondContact CA-OG1 3.34Å; L204-T207 PolarHBondContact O-OG1 2.74Å; L204-R208 VanDerWaalsContact O-CB 3.22Å; L204-R208 WeakPolarHBondContact O-CB 3.3Å; L204-R208 PolarHBondContact O-N 2.93Å
205E93.5Very high93.9Very high72 Ų72108.6 Ų108.634%0.33651%0.513SS..Hα-helixtrans-68.5-36.8175.5-178.455.7-155.400112.3Q201 Q202 E203 R209Q201-E205 WeakPolarHBondContact O-CB 3.18Å; Q201-E205 PolarHBondContact O-N 3.05Å; Q202-E205 PolarHBondContact O-N 3.36Å; E203-E205 VanDerWaalsContact C-N 3.29Å; E203-E205 PolarHBondContact O-N 3.01Å; E205-R209 VanDerWaalsContact O-CG 3.31Å; E205-R209 WeakPolarHBondContact O-CG 3.42Å; E205-R209 PolarHBondContact O-N 2.98Å; E205-R209 VanDerWaalsContact O-N 3.08Å; E205-R209 IonicContact OE1-CZ 3.64Å; E205-R209 IonicContact OE1-NE 3.78Å; E205-R209 PolarHBondContact OE1-NE 3.27Å; E205-R209 IonicContact OE1-NH2 2.74Å; E205-R209 PolarHBondContact OE1-NH2 3.1Å
206R93.1Very high93.8Very high133 Ų133109.4 Ų109.450%0.50251%0.514SS..Hα-helixtrans-64-48.8173.6-73.2177.2-169.8115.44.4111.6Q202 E203 R208 R209 Q210Q202-R206 WeakPolarHBondContact O-CG 3.48Å; Q202-R206 PolarHBondContact O-N 2.78Å; E203-R206 PolarHBondContact O-N 3.03Å; R206-R208 VanDerWaalsContact C-N 3.34Å; R206-R208 PolarHBondContact O-N 3.2Å; R206-R209 PolarHBondContact O-N 3.19Å; R206-Q210 PolarHBondContact O-N 3.03Å; R206-Q210 VanDerWaalsContact O-N 3.1Å
207T92.8Very high93.8Very high67 Ų67109.6 Ų109.641%0.41151%0.514SS..Hα-helixtrans-64.6-39.4178.954.80000111.2E203 L204 R209 Q210 L211E203-T207 WeakPolarHBondContact O-CG2 3.5Å; E203-T207 PolarHBondContact O-N 2.74Å; E203-T207 PolarHBondContact O-OG1 2.68Å; L204-T207 WeakPolarHBondContact CA-OG1 3.34Å; L204-T207 PolarHBondContact O-OG1 2.74Å; T207-R209 VanDerWaalsContact C-N 3.33Å; T207-R209 PolarHBondContact O-N 2.71Å; T207-Q210 WeakPolarHBondContact O-CB 3.12Å; T207-Q210 PolarHBondContact O-N 3.29Å; T207-L211 PolarHBondContact O-N 2.74Å
208R92.2Very high93.8Very high155 Ų155111 Ų11159%0.58552%0.522SS*.Hα-helixtrans-56.5-44.5172.4-175.6-178.8-178.2158.42.8112.2L204 R206 L211 V212L204-R208 VanDerWaalsContact O-CB 3.22Å; L204-R208 WeakPolarHBondContact O-CB 3.3Å; L204-R208 PolarHBondContact O-N 2.93Å; R206-R208 VanDerWaalsContact C-N 3.34Å; R206-R208 PolarHBondContact O-N 3.2Å; R208-L211 PolarHBondContact O-N 2.98Å; R208-V212 WeakPolarHBondContact O-CG2 3.43Å; R208-V212 PolarHBondContact O-N 3.1Å
209R93Very high93.8Very high154 Ų154112.6 Ų112.658%0.58153%0.533SS*.Hα-helixtrans-64-40.4177.2-71.7171.2-171.9-157.62.9112.3E205 R206 T207 V212 Q213E205-R209 VanDerWaalsContact O-CG 3.31Å; E205-R209 WeakPolarHBondContact O-CG 3.42Å; E205-R209 PolarHBondContact O-N 2.98Å; E205-R209 VanDerWaalsContact O-N 3.08Å; E205-R209 IonicContact OE1-CZ 3.64Å; E205-R209 IonicContact OE1-NE 3.78Å; E205-R209 PolarHBondContact OE1-NE 3.27Å; E205-R209 IonicContact OE1-NH2 2.74Å; E205-R209 PolarHBondContact OE1-NH2 3.1Å; R206-R209 PolarHBondContact O-N 3.19Å; T207-R209 VanDerWaalsContact C-N 3.33Å; T207-R209 PolarHBondContact O-N 2.71Å; R209-V212 PolarHBondContact O-N 3.4Å; R209-Q213 WeakPolarHBondContact O-CG 3.35Å; R209-Q213 PolarHBondContact O-N 3.01Å
210Q94.6Very high93.6Very high116 Ų116113 Ų11354%0.54254%0.535SS..Hα-helixtrans-62.2-45.1175.3-70173.3-18.300111.5R206 T207 V212 Q213 Q214R206-Q210 PolarHBondContact O-N 3.03Å; R206-Q210 VanDerWaalsContact O-N 3.1Å; T207-Q210 WeakPolarHBondContact O-CB 3.12Å; T207-Q210 PolarHBondContact O-N 3.29Å; Q210-V212 PolarHBondContact O-N 2.93Å; Q210-Q213 PolarHBondContact O-N 3.27Å; Q210-Q214 WeakPolarHBondContact O-CG 3.47Å; Q210-Q214 PolarHBondContact O-N 2.89Å
211L94.2Very high93.5Very high109 Ų109115.7 Ų115.757%0.57154%0.54SS*.Hα-helixtrans-59.6-42.4175.3-83.6150.7000112.2T207 R208 Q213 Q214 A215T207-L211 PolarHBondContact O-N 2.74Å; R208-L211 PolarHBondContact O-N 2.98Å; L211-Q213 PolarHBondContact O-N 3.18Å; L211-Q214 PolarHBondContact O-N 3.22Å; L211-A215 WeakPolarHBondContact O-CB 3.47Å; L211-A215 PolarHBondContact O-N 3.34Å
212V94.5Very high93.5Very high94 Ų94111.6 Ų111.657%0.5753%0.53SS*.Hα-helixtrans-63.5-40.3175.91710000111.6R208 R209 Q210 A215 K216R208-V212 WeakPolarHBondContact O-CG2 3.43Å; R208-V212 PolarHBondContact O-N 3.1Å; R209-V212 PolarHBondContact O-N 3.4Å; Q210-V212 PolarHBondContact O-N 2.93Å; V212-A215 PolarHBondContact O-N 3.34Å; V212-K216 PolarHBondContact O-N 3.33Å
213Q93.8Very high93.5Very high126 Ų126109.5 Ų109.559%0.58953%0.531SS*.Hα-helixtrans-66.2-42175.6-71.9177.7000112R209 Q210 L211 K216 K217R209-Q213 WeakPolarHBondContact O-CG 3.35Å; R209-Q213 PolarHBondContact O-N 3.01Å; Q210-Q213 PolarHBondContact O-N 3.27Å; L211-Q213 PolarHBondContact O-N 3.18Å; Q213-K216 PolarHBondContact O-N 3.46Å; Q213-K217 PolarHBondContact O-N 3.22Å
214Q92.8Very high93.5Very high122 Ų122110.1 Ų110.157%0.5754%0.536SS*.Hα-helixtrans-62.1-43.8174.2-73.9-174.8-8.200111.5Q210 L211 K216 K217 L218Q210-Q214 WeakPolarHBondContact O-CG 3.47Å; Q210-Q214 PolarHBondContact O-N 2.89Å; L211-Q214 PolarHBondContact O-N 3.22Å; Q214-K216 VanDerWaalsContact C-N 3.31Å; Q214-K216 PolarHBondContact O-N 3.32Å; Q214-K217 PolarHBondContact O-N 3.19Å; Q214-L218 WeakPolarHBondContact O-CG 3.47Å; Q214-L218 PolarHBondContact O-N 2.92Å
215A92.5Very high93.6Very high57 Ų57109.6 Ų109.647%0.47154%0.537SS..Hα-helixtrans-61.2-38.1175.500000112.4L211 V212 L218 K219L211-A215 WeakPolarHBondContact O-CB 3.47Å; L211-A215 PolarHBondContact O-N 3.34Å; V212-A215 PolarHBondContact O-N 3.34Å; A215-L218 PolarHBondContact O-N 2.91Å; A215-K219 PolarHBondContact O-N 3.42Å
216K93Very high93.6Very high134 Ų134109.3 Ų109.358%0.58354%0.543SS*.Hα-helixtrans-63.2-47173.7-171.7-176.1175.9-170.10111.7V212 Q213 Q214 L218 K219 E220V212-K216 PolarHBondContact O-N 3.33Å; Q213-K216 PolarHBondContact O-N 3.46Å; Q214-K216 VanDerWaalsContact C-N 3.31Å; Q214-K216 PolarHBondContact O-N 3.32Å; K216-L218 VanDerWaalsContact C-N 3.35Å; K216-L218 PolarHBondContact O-N 3.49Å; K216-K219 WeakPolarHBondContact O-CB 3.44Å; K216-K219 PolarHBondContact O-N 2.99Å; K216-E220 VanDerWaalsContact CE-OE1 3.3Å; K216-E220 WeakPolarHBondContact CE-OE1 3.33Å; K216-E220 WeakPolarHBondContact O-CG 3.22Å; K216-E220 PolarHBondContact O-N 2.95Å
217K93.1Very high93.7Very high114 Ų114108.2 Ų108.250%0.49654%0.544SS..Hα-helixtrans-59.3-44.1175.8-72.3-178.8178.8-179.60111.5Q213 Q214 K219 E220 Y221Q213-K217 PolarHBondContact O-N 3.22Å; Q214-K217 PolarHBondContact O-N 3.19Å; K217-K219 VanDerWaalsContact C-N 3.31Å; K217-K219 PolarHBondContact O-N 3.4Å; K217-E220 WeakPolarHBondContact O-CB 3.45Å; K217-E220 PolarHBondContact O-N 3.38Å; K217-Y221 HydrophobicContact CB-CE2 4.42Å; K217-Y221 WeakPolarHBondContact O-CD2 3.35Å; K217-Y221 PolarHBondContact O-N 2.94Å
218L93.9Very high93.8Very high121 Ų121109.3 Ų109.363%0.63455%0.546SS*.Hα-helixtrans-61.5-38176.1-73.1172.8000112.5Q214 A215 K216 Y221 G222Q214-L218 WeakPolarHBondContact O-CG 3.47Å; Q214-L218 PolarHBondContact O-N 2.92Å; A215-L218 PolarHBondContact O-N 2.91Å; K216-L218 VanDerWaalsContact C-N 3.35Å; K216-L218 PolarHBondContact O-N 3.49Å; L218-Y221 PolarHBondContact O-N 2.95Å; L218-G222 PolarHBondContact O-N 3.18Å
219K93.9Very high94Very high171 Ų171108.6 Ų108.674%0.74355%0.547SS*.Hα-helixtrans-64.8-40.5174.3-171.1178.6-179.5179.70112.3A215 K216 K217 G222 A223A215-K219 PolarHBondContact O-N 3.42Å; K216-K219 WeakPolarHBondContact O-CB 3.44Å; K216-K219 PolarHBondContact O-N 2.99Å; K217-K219 VanDerWaalsContact C-N 3.31Å; K217-K219 PolarHBondContact O-N 3.4Å; K219-G222 PolarHBondContact O-N 2.94Å; K219-A223 PolarHBondContact O-N 2.67Å; K219-A223 VanDerWaalsContact O-N 3.07Å
220E93Very high94.2Very high109 Ų109107.9 Ų107.951%0.50955%0.55SS..Hα-helixtrans-63.9-43.3174.7-70.1168.4-172.600111.3K216 K217 G222 A223 L224K216-E220 VanDerWaalsContact CE-OE1 3.3Å; K216-E220 WeakPolarHBondContact CE-OE1 3.33Å; K216-E220 WeakPolarHBondContact O-CG 3.22Å; K216-E220 PolarHBondContact O-N 2.95Å; K217-E220 WeakPolarHBondContact O-CB 3.45Å; K217-E220 PolarHBondContact O-N 3.38Å; E220-G222 VanDerWaalsContact C-N 3.34Å; E220-G222 PolarHBondContact O-N 3.41Å; E220-A223 PolarHBondContact O-N 3.27Å; E220-L224 PolarHBondContact O-N 3.4Å
221Y93.5Very high94.3Very high154 Ų154106.7 Ų106.760%0.60455%0.547SS*.Hα-helixtrans-60.6-41.2172.4-74-59.9000112.5K217 L218 A223 L224 V225K217-Y221 HydrophobicContact CB-CE2 4.42Å; K217-Y221 WeakPolarHBondContact O-CD2 3.35Å; K217-Y221 PolarHBondContact O-N 2.94Å; L218-Y221 PolarHBondContact O-N 2.95Å; Y221-A223 VanDerWaalsContact C-N 3.34Å; Y221-A223 PolarHBondContact O-N 3.46Å; Y221-L224 PolarHBondContact O-N 3.19Å; Y221-V225 VanDerWaalsContact O-CG2 3.28Å; Y221-V225 WeakPolarHBondContact O-CG2 3.41Å; Y221-V225 PolarHBondContact O-N 3.33Å
222G93Very high94.4Very high36 Ų36109.8 Ų109.837%0.37155%0.551SS.*Hα-helixtrans-61.2-39.5175.700000113.3L218 K219 E220 V225 S226L218-G222 PolarHBondContact O-N 3.18Å; K219-G222 PolarHBondContact O-N 2.94Å; E220-G222 VanDerWaalsContact C-N 3.34Å; E220-G222 PolarHBondContact O-N 3.41Å; G222-V225 PolarHBondContact O-N 2.73Å; G222-S226 PolarHBondContact O-N 3.43Å; G222-S226 VanDerWaalsContact O-N 3.1Å; G222-S226 PolarHBondContact O-OG 2.75Å
223A94.6Very high94.4Very high61 Ų61108.9 Ų108.950%0.50454%0.543SS..Hα-helixtrans-64.3-45.3174.700000111.6K219 E220 Y221 V225 S226 E227K219-A223 PolarHBondContact O-N 2.67Å; K219-A223 VanDerWaalsContact O-N 3.07Å; E220-A223 PolarHBondContact O-N 3.27Å; Y221-A223 VanDerWaalsContact C-N 3.34Å; Y221-A223 PolarHBondContact O-N 3.46Å; A223-V225 VanDerWaalsContact C-N 3.35Å; A223-V225 PolarHBondContact O-N 2.93Å; A223-S226 WeakPolarHBondContact O-CB 3.17Å; A223-S226 PolarHBondContact O-N 3.41Å; A223-S226 VanDerWaalsContact O-N 3.11Å; A223-E227 PolarHBondContact O-N 3.05Å
224L95Very high94.6Very high96 Ų96108.2 Ų108.250%0.50354%0.543SS..Hα-helixtrans-62.9-39.2177.4-173.865.8000112.4E220 Y221 S226 E227 M228E220-L224 PolarHBondContact O-N 3.4Å; Y221-L224 PolarHBondContact O-N 3.19Å; L224-S226 VanDerWaalsContact C-N 3.27Å; L224-S226 PolarHBondContact O-N 3.17Å; L224-E227 PolarHBondContact O-N 3.48Å; L224-M228 WeakPolarHBondContact O-CB 3.29Å; L224-M228 VanDerWaalsContact O-CG 3.32Å; L224-M228 WeakPolarHBondContact O-CG 3.33Å; L224-M228 PolarHBondContact O-N 3.25Å
225V94.7Very high94.7Very high101 Ų101106.6 Ų106.661%0.61254%0.538SS*.Hα-helixtrans-63.3-36.4174.6169.60000111.3Y221 G222 A223 K229Y221-V225 VanDerWaalsContact O-CG2 3.28Å; Y221-V225 WeakPolarHBondContact O-CG2 3.41Å; Y221-V225 PolarHBondContact O-N 3.33Å; G222-V225 PolarHBondContact O-N 2.73Å; A223-V225 VanDerWaalsContact C-N 3.35Å; A223-V225 PolarHBondContact O-N 2.93Å; V225-K229 PolarHBondContact O-N 3.24Å
226S94.1Very high94.8Very high66 Ų66111.3 Ų111.346%0.46254%0.544SS..Hα-helixtrans-69-44.7177.7-55.30000111.1G222 A223 L224 M228 K229 E230G222-S226 PolarHBondContact O-N 3.43Å; G222-S226 VanDerWaalsContact O-N 3.1Å; G222-S226 PolarHBondContact O-OG 2.75Å; A223-S226 WeakPolarHBondContact O-CB 3.17Å; A223-S226 PolarHBondContact O-N 3.41Å; A223-S226 VanDerWaalsContact O-N 3.11Å; L224-S226 VanDerWaalsContact C-N 3.27Å; L224-S226 PolarHBondContact O-N 3.17Å; S226-M228 PolarHBondContact O-N 2.7Å; S226-K229 WeakPolarHBondContact O-CB 3.34Å; S226-K229 PolarHBondContact O-N 3.28Å; S226-K229 VanDerWaalsContact O-N 3.17Å; S226-E230 PolarHBondContact O-N 3.2Å
227E95.6Very high94.9Very high110 Ų110112.9 Ų112.951%0.51455%0.546SS..Hα-helixtrans-60.7-43.9173.6-172.8-178.6175.300111.8A223 L224 K229 E230 L231A223-E227 PolarHBondContact O-N 3.05Å; L224-E227 PolarHBondContact O-N 3.48Å; E227-K229 VanDerWaalsContact C-N 3.27Å; E227-K229 PolarHBondContact O-N 2.84Å; E227-E230 PolarHBondContact O-N 2.85Å; E227-L231 HydrophobicContact CG-CD1 4.34Å; E227-L231 WeakPolarHBondContact O-CG 3.41Å; E227-L231 PolarHBondContact O-N 3.15Å
228M95.2Very high95Very high90 Ų90112.2 Ų112.244%0.44355%0.547SS..Hα-helixtrans-60.3-35.9175.1-79-73.1-78.100112.5L224 S226 R232L224-M228 WeakPolarHBondContact O-CB 3.29Å; L224-M228 VanDerWaalsContact O-CG 3.32Å; L224-M228 WeakPolarHBondContact O-CG 3.33Å; L224-M228 PolarHBondContact O-N 3.25Å; S226-M228 PolarHBondContact O-N 2.7Å; M228-R232 WeakPolarHBondContact O-CB 3.04Å; M228-R232 VanDerWaalsContact O-CG 3.24Å; M228-R232 WeakPolarHBondContact O-CG 3.28Å; M228-R232 PolarHBondContact O-N 3.18Å
229K96Very high95Very high140 Ų140110.5 Ų110.561%0.60954%0.536SS*.Hα-helixtrans-67.1-46.3174.1-173.8-177.3176.5-175.80111.1V225 S226 E227 L231 R232 D233V225-K229 PolarHBondContact O-N 3.24Å; S226-K229 WeakPolarHBondContact O-CB 3.34Å; S226-K229 PolarHBondContact O-N 3.28Å; S226-K229 VanDerWaalsContact O-N 3.17Å; E227-K229 VanDerWaalsContact C-N 3.27Å; E227-K229 PolarHBondContact O-N 2.84Å; K229-L231 VanDerWaalsContact C-N 3.34Å; K229-L231 PolarHBondContact O-N 3Å; K229-R232 PolarHBondContact O-N 3.35Å; K229-D233 PolarHBondContact O-N 3Å
230E96.2Very high94.9Very high139 Ų139106 Ų10665%0.6552%0.52SS*.Hα-helixtrans-60.4-42.4176.8-70.6-178.3-175.300112.3S226 E227 D233 L234S226-E230 PolarHBondContact O-N 3.2Å; E227-E230 PolarHBondContact O-N 2.85Å; E230-D233 PolarHBondContact O-N 3.18Å; E230-L234 WeakPolarHBondContact O-CB 3.39Å; E230-L234 PolarHBondContact O-N 2.95Å
231L96.9Very high94.8Very high90 Ų90104.6 Ų104.647%0.47152%0.518SS..Hα-helixtrans-64.4-40175.7-72.4174.3000112.1E227 K229 L234 N235E227-L231 HydrophobicContact CG-CD1 4.34Å; E227-L231 WeakPolarHBondContact O-CG 3.41Å; E227-L231 PolarHBondContact O-N 3.15Å; K229-L231 VanDerWaalsContact C-N 3.34Å; K229-L231 PolarHBondContact O-N 3Å; L231-L234 PolarHBondContact O-N 3.44Å; L231-N235 VanDerWaalsContact O-CB 3.27Å; L231-N235 WeakPolarHBondContact O-CB 3.34Å; L231-N235 PolarHBondContact O-N 2.8Å
232R96.3Very high94.7Very high174 Ų174101.6 Ų101.666%0.65751%0.512SS*.Hα-helixtrans-63.4-43.1174-76.7174.9-174.5175.62.6111.5M228 K229 N235 R236M228-R232 WeakPolarHBondContact O-CB 3.04Å; M228-R232 VanDerWaalsContact O-CG 3.24Å; M228-R232 WeakPolarHBondContact O-CG 3.28Å; M228-R232 PolarHBondContact O-N 3.18Å; K229-R232 PolarHBondContact O-N 3.35Å; R232-N235 PolarHBondContact O-N 3.03Å; R232-R236 WeakPolarHBondContact O-CB 3.41Å; R232-R236 PolarHBondContact O-N 2.92Å
233D95.7Very high94.5Very high75 Ų75105.7 Ų105.740%0.40153%0.525SS..Hα-helixtrans-66.1-40.5177.7-72.1-13.5000111.7K229 E230 R236 R237K229-D233 PolarHBondContact O-N 3Å; E230-D233 PolarHBondContact O-N 3.18Å; D233-R236 PolarHBondContact O-N 3.38Å; D233-R237 WeakPolarHBondContact O-CG 3.49Å; D233-R237 PolarHBondContact O-N 2.97Å
234L96.9Very high94.1Very high113 Ų113108.6 Ų108.659%0.59253%0.532SS*.Hα-helixtrans-64.2-44.8174.9-18062.8000111.5E230 L231 R236 R237 L238E230-L234 WeakPolarHBondContact O-CB 3.39Å; E230-L234 PolarHBondContact O-N 2.95Å; L231-L234 PolarHBondContact O-N 3.44Å; L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 3.2Å; L234-R237 PolarHBondContact O-N 2.83Å; L234-L238 WeakPolarHBondContact O-CB 3.4Å; L234-L238 PolarHBondContact O-N 3.03Å
235N95.3Very high93.7Very high87 Ų87113.6 Ų113.647%0.46554%0.544SS..Hα-helixtrans-62.9-41.5177.6-163.1-33.9000110.9L231 R232 R237 L238 Q239L231-N235 VanDerWaalsContact O-CB 3.27Å; L231-N235 WeakPolarHBondContact O-CB 3.34Å; L231-N235 PolarHBondContact O-N 2.8Å; R232-N235 PolarHBondContact O-N 3.03Å; N235-R237 PolarHBondContact O-N 3.13Å; N235-L238 PolarHBondContact O-N 3.36Å; N235-Q239 VanDerWaalsContact O-CG 3.3Å; N235-Q239 WeakPolarHBondContact O-CG 3.44Å; N235-Q239 PolarHBondContact O-N 3.49Å; N235-Q239 PolarHBondContact OD1-NE2 3.22Å
236R94.9Very high92.9Very high157 Ų157115.7 Ų115.759%0.59255%0.551SS**Hα-helixtrans-56.5-51.1172.5-175.768.467.1-172.63.8111.5R232 D233 L234 L238 Q239 D240R232-R236 WeakPolarHBondContact O-CB 3.41Å; R232-R236 PolarHBondContact O-N 2.92Å; D233-R236 PolarHBondContact O-N 3.38Å; L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 PolarHBondContact O-N 3.2Å; R236-L238 VanDerWaalsContact C-N 3.32Å; R236-L238 PolarHBondContact O-N 3.21Å; R236-Q239 WeakPolarHBondContact O-CB 3.34Å; R236-Q239 PolarHBondContact O-N 3.39Å; R236-D240 VanDerWaalsContact O-CG 3.23Å; R236-D240 PolarHBondContact O-N 3.27Å
237R95Very high91.5Very high166 Ų166115.8 Ų115.863%0.62656%0.563SS**Hα-helixtrans-60.9-39.4178-69.2-179.7-139.5-153.54.6112.7D233 L234 N235 D240 V241D233-R237 WeakPolarHBondContact O-CG 3.49Å; D233-R237 PolarHBondContact O-N 2.97Å; L234-R237 PolarHBondContact O-N 2.83Å; N235-R237 PolarHBondContact O-N 3.13Å; R237-D240 PolarHBondContact O-N 2.89Å; R237-V241 WeakPolarHBondContact O-CG2 3.31Å; R237-V241 PolarHBondContact O-N 3.1Å
238L95Very high89.7Confident101 Ų101115.5 Ų115.553%0.52957%0.573SS.*Hα-helixtrans-63.1-44.3177.1-178.365.6000110.9L234 N235 R236 V241 L242L234-L238 WeakPolarHBondContact O-CB 3.4Å; L234-L238 PolarHBondContact O-N 3.03Å; N235-L238 PolarHBondContact O-N 3.36Å; R236-L238 VanDerWaalsContact C-N 3.32Å; R236-L238 PolarHBondContact O-N 3.21Å; L238-V241 PolarHBondContact O-N 3.08Å; L238-L242 HydrophobicContact CG-CD1 4.2Å; L238-L242 WeakPolarHBondContact O-CB 3.34Å; L238-L242 VanDerWaalsContact O-CG 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.28Å; L238-L242 PolarHBondContact O-N 3.05Å
239Q93.7Very high87.4Confident85 Ų85113.6 Ų113.640%0.39758%0.576SS.*Hα-helixtrans-60.4-44.8174.6-68.8171.91400111.3N235 R236 V241 L242 L243N235-Q239 VanDerWaalsContact O-CG 3.3Å; N235-Q239 WeakPolarHBondContact O-CG 3.44Å; N235-Q239 PolarHBondContact O-N 3.49Å; N235-Q239 PolarHBondContact OD1-NE2 3.22Å; R236-Q239 WeakPolarHBondContact O-CB 3.34Å; R236-Q239 PolarHBondContact O-N 3.39Å; Q239-V241 PolarHBondContact O-N 3.24Å; Q239-L242 PolarHBondContact O-N 2.89Å; Q239-L243 WeakPolarHBondContact O-CB 3.38Å; Q239-L243 WeakPolarHBondContact O-CD1 3.31Å; Q239-L243 WeakPolarHBondContact O-CG 3.4Å; Q239-L243 PolarHBondContact O-N 3.34Å
240D91.6Very high85Confident75 Ų75112.6 Ų112.640%0.40158%0.584SS.*Hα-helixtrans-58.8-45.7177.4-62.3-26.5000111.6R236 R237 L243 L244R236-D240 VanDerWaalsContact O-CG 3.23Å; R236-D240 PolarHBondContact O-N 3.27Å; R237-D240 PolarHBondContact O-N 2.89Å; D240-L243 PolarHBondContact O-N 3Å; D240-L244 WeakPolarHBondContact O-CD1 3.21Å; D240-L244 PolarHBondContact O-N 2.9Å
241V92Very high82.3Confident80 Ų80111 Ų11149%0.48559%0.594SS.*Hα-helixtrans-63.8-41.6176.9171.60000111.8R237 L238 Q239 L244 R245R237-V241 WeakPolarHBondContact O-CG2 3.31Å; R237-V241 PolarHBondContact O-N 3.1Å; L238-V241 PolarHBondContact O-N 3.08Å; Q239-V241 PolarHBondContact O-N 3.24Å; V241-L244 PolarHBondContact O-N 3.44Å; V241-R245 HydrophobicContact CG1-CG 4.4Å; V241-R245 WeakPolarHBondContact O-CB 3.33Å; V241-R245 WeakPolarHBondContact O-CG 3.34Å; V241-R245 PolarHBondContact O-N 2.87Å
242L90.7Very high80.1Confident91 Ų91113.6 Ų113.648%0.47661%0.607SS.*Hα-helixtrans-64.6-43.6177.3-73.6171.7000111.5L238 Q239 R245 L246L238-L242 HydrophobicContact CG-CD1 4.2Å; L238-L242 WeakPolarHBondContact O-CB 3.34Å; L238-L242 VanDerWaalsContact O-CG 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.28Å; L238-L242 PolarHBondContact O-N 3.05Å; Q239-L242 PolarHBondContact O-N 2.89Å; L242-R245 PolarHBondContact O-N 3.36Å; L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 VanDerWaalsContact O-CG 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.39Å; L242-L246 PolarHBondContact O-N 3.05Å
243L88.4Confident77.3Confident123 Ų123112.4 Ų112.464%0.64461%0.614SS**Hα-helixtrans-59.2-46.1174.9-82.7155.8000111.7Q239 D240 R245 L246 G247Q239-L243 WeakPolarHBondContact O-CB 3.38Å; Q239-L243 WeakPolarHBondContact O-CD1 3.31Å; Q239-L243 WeakPolarHBondContact O-CG 3.4Å; Q239-L243 PolarHBondContact O-N 3.34Å; D240-L243 PolarHBondContact O-N 3Å; L243-R245 PolarHBondContact O-N 3.2Å; L243-L246 PolarHBondContact O-N 3.49Å; L243-G247 PolarHBondContact O-N 3.05Å
244L86.3Confident75Confident122 Ų122117.1 Ų117.164%0.63964%0.638SS**Hα-helixtrans-60.2-41.5175.3-86150.7000112.8D240 V241 S248D240-L244 WeakPolarHBondContact O-CD1 3.21Å; D240-L244 PolarHBondContact O-N 2.9Å; V241-L244 PolarHBondContact O-N 3.44Å; L244-S248 PolarHBondContact O-N 3.5Å; L244-S248 PolarHBondContact O-OG 3.48Å
245R86.8Confident72.2Confident201 Ų201120.6 Ų120.676%0.75865%0.651SS**Hα-helixtrans-70.1-40.9179.4-72.5-76.7-175.8157.41112.4V241 L242 L243V241-R245 HydrophobicContact CG1-CG 4.4Å; V241-R245 WeakPolarHBondContact O-CB 3.33Å; V241-R245 WeakPolarHBondContact O-CG 3.34Å; V241-R245 PolarHBondContact O-N 2.87Å; L242-R245 PolarHBondContact O-N 3.36Å; L243-R245 PolarHBondContact O-N 3.2Å
246L79Confident69.4Low144 Ų144125.9 Ų125.975%0.75467%0.67SS**Hα-helixtrans-74.3-33.5178.3-69.1169.7000111.9L242 L243 S248L242-L246 WeakPolarHBondContact O-CB 3.43Å; L242-L246 VanDerWaalsContact O-CG 3.31Å; L242-L246 WeakPolarHBondContact O-CG 3.39Å; L242-L246 PolarHBondContact O-N 3.05Å; L243-L246 PolarHBondContact O-N 3.49Å; L246-S248 VanDerWaalsContact C-N 3.25Å; L246-S248 PolarHBondContact O-N 2.95Å
247G64.7Low66.8Low69 Ų69125.2 Ų125.271%0.71168%0.683SS**THydrogen-bonded Turntrans-74.8-6177.300000115.4L243L243-G247 PolarHBondContact O-N 3.05Å
248S58.4Low63.9Low104 Ų104126.9 Ų126.973%0.72770%0.695SS**THydrogen-bonded Turntrans-107.28.3-177.9-580000114.4L244 L246L244-S248 PolarHBondContact O-N 3.5Å; L244-S248 PolarHBondContact O-OG 3.48Å; L246-S248 VanDerWaalsContact C-N 3.25Å; L246-S248 PolarHBondContact O-N 2.95Å
249G45.5Very low61.3Low49 Ų49127.3 Ų127.351%0.50571%0.706SS.*SBendtrans-110.2139.5-17800000113.1A251G249-A251 PolarHBondContact O-N 3.01Å
250P46.8Very low58.4Low119 Ų119132.4 Ų132.477%0.77373%0.73SS**  trans-69.2126.3-178.629.2-31.5000110I252P250-I252 PolarHBondContact O-N 3.22Å
251A38.6Very low55.5Low106 Ų106134.6 Ų134.688%0.87675%0.75SS**  trans-61.4115.9173.600000109.6G249G249-A251 PolarHBondContact O-N 3.01Å
252I51.4Low52.9Low145 Ų145138.5 Ų138.574%0.74477%0.768SS**  trans-131.6110.7167.6-51.5178.9000108.8P250P250-I252 PolarHBondContact O-N 3.22Å
253D37.6Very low50.5Low149 Ų149141.7 Ų141.780%0.79778%0.78SS**  trans-5.4120.2163.5-68-48.1000118.6
254L47.6Very low48.3Very low174 Ų174141.2 Ų141.291%0.91178%0.784SS**  trans-111.895.3154.8-13878.9000108.5
255E37.1Very low46.3Very low185 Ų185142.6 Ų142.686%0.86479%0.787SS**  trans-57.4140.9162.5-77.4-162.4147.400110.2
256K37.1Very low44.1Very low199 Ų199138.3 Ų138.387%0.86579%0.785SS**  trans83.177.3159.5-149-178.9-166-173.10117.1
257V39.9Very low42.1Very low143 Ų143138.1 Ų138.187%0.86778%0.781SS**  -151.5117.2109171.70000107.6
258K33.5Very low40.9Very low200 Ų200140 Ų14087%0.8777%0.774SS**  trans-56.7133.3170.8-96.5173.4167.1177.10110.8
259S41.7Very low39.6Very low110 Ų110145 Ų14577%0.76978%0.777SS**  trans157.386.3140.5-65.90000104.9
260E31.1Very low39.1Very low192 Ų192147.4 Ų147.490%0.89779%0.786SS**  71.4128.582.3-159.1164.5-142.700111.5
261C32Very low38.5Very low121 Ų121148.1 Ų148.182%0.81879%0.788SS**  trans85.597.6-176.8-124.40000114.5
262L36.6Very low38.4Very low163 Ų163153 Ų15385%0.85379%0.79SS**  cis48.477.645.3-65-177.1000114
263E39.8Very low38Very low158 Ų158151.3 Ų151.374%0.73879%0.791SS**  trans-55.2163.7135.5-87.6-75129.800109.9
264P42.1Very low38.2Very low112 Ų112152.7 Ų152.773%0.72779%0.793SS**  cis-142.5173.225.725.51000117.3
265E45.4Very low38Very low152 Ų152153 Ų15371%0.7179%0.789SS**  trans-9.7155.2151.7-96.8-146.8130.100117.7
266P40.2Very low38.1Very low110 Ų110148.4 Ų148.471%0.71478%0.783SS**  -119.9113.2122.232-21.4000110.1
267E36.3Very low38.5Very low141 Ų141146.3 Ų146.366%0.65978%0.781SS**  73.5116.198.9-65.3-169.4162.900112
268L40.1Very low38.4Very low107 Ų107146.4 Ų146.456%0.5678%0.782SS**  162.7118.697.1-79.4-176.7000111.8
269R31.8Very low39Very low210 Ų210142.3 Ų142.379%0.79278%0.779SS**  68.9105.8128.2-65.2-179.1179150.97.8116.5
270S34.8Very low38.8Very low100 Ų100142.1 Ų142.170%0.69978%0.778SS**  70.1110.286.4179.60000111.8
271T34.4Very low39.2Very low133 Ų133142.8 Ų142.882%0.81677%0.773SS**  -173.3139.1101.332.80000111
272F36Very low39.5Very low209 Ų209147 Ų14792%0.91777%0.774SS**  trans-54.9139.1161.2-86.1-112.6000110.8
273S42.2Very low40.2Very low109 Ų109144.5 Ų144.576%0.76277%0.767SS**  trans-154.3114.2135-161.90000109.4
274E41.9Very low40.4Very low179 Ų179140.8 Ų140.884%0.83676%0.763SS**  trans-58.3135.5157.7-177.6172.1-168.900108.7
275E43.9Very low40.6Very low180 Ų180141.7 Ų141.784%0.84177%0.769SS**  trans-163.9127.7146.9-109.7170-147.100110.7
276A39.4Very low40.4Very low89 Ų89137.8 Ų137.874%0.73676%0.763SS**  trans-60133.4175.300000110.8
277N46.3Very low40.8Very low154 Ų154137.2 Ų137.282%0.82476%0.759SS**  trans-153.2113.1147-92.5-42.4000110.6S279N277-S279 PolarHBondContact O-N 2.91Å
278T36.8Very low41.5Very low145 Ų145133.8 Ų133.889%0.8975%0.748SS**  trans-53.3117.9158.544.30000109.8
279S46.9Very low42.1Very low114 Ų114130.9 Ų130.980%0.79773%0.732SS**  trans-143.8124.1161-170.80000110.5N277 Y281N277-S279 PolarHBondContact O-N 2.91Å; S279-Y281 PolarHBondContact O-N 3.33Å
280S36.5Very low43.2Very low107 Ų107128.3 Ų128.375%0.74873%0.734SS**  trans-59.7112.4176.4149.90000110.4
281Y39.6Very low45Very low205 Ų205128.9 Ų128.980%0.80472%0.724SS**  trans-135.9111.5166.1-164.7-99.9000108.8S279 P283S279-Y281 PolarHBondContact O-N 3.33Å; Y281-P283 VanDerWaalsContact O-CD 3.3Å; Y281-P283 WeakPolarHBondContact O-CD 3.48Å
282Y39.4Very low47.2Very low211 Ų211123.4 Ų123.483%0.82769%0.688SS**PPolyproline II helixtrans-63.4119169.8-85.3-93.9000108.4A284Y282-A284 PolarHBondContact O-N 3.4Å
283P49.8Very low49.4Very low110 Ų110118.3 Ų118.371%0.71467%0.67SS**PPolyproline II helixtrans-79125.1172-1.319.8000108.4Y281Y281-P283 VanDerWaalsContact O-CD 3.3Å; Y281-P283 WeakPolarHBondContact O-CD 3.48Å
284A45.1Very low51.4Low79 Ų79117.2 Ų117.265%0.65365%0.654SS**PPolyproline II helixtrans-49.2155.2161.800000110.5Y282 A286Y282-A284 PolarHBondContact O-N 3.4Å; A284-A286 PolarHBondContact O-N 2.99Å
285P45.7Very low53.3Low132 Ų132112.4 Ų112.486%0.85764%0.635SS**  trans-62.3101.5-1769-2.9000109.3
286A42.2Very low55.3Low69 Ų69110.5 Ų110.557%0.5763%0.63SS**  trans-63.9131.817600000107.8A284 V288A284-A286 PolarHBondContact O-N 2.99Å; A286-V288 PolarHBondContact O-N 3.12Å
287P48.3Very low57.5Low98 Ų98108.2 Ų108.264%0.63662%0.615SS**  trans-56.1139.817225.8-32.5000107.9M289P287-M289 HydrophobicContact CB-CG 4.13Å; P287-M289 HydrophobicContact CG-CG 4.29Å; P287-M289 PolarHBondContact O-N 3.46Å
288V50.6Low59.6Low69 Ų69106.2 Ų106.242%0.41860%0.599SS.*THydrogen-bonded Turntrans-69.948.8-178.7-168.20000110.9A286 Q378A286-V288 PolarHBondContact O-N 3.12Å; V288-Q378 HydrophobicContact CG2-CG 3.98Å; V288-Q378 VanDerWaalsContact CG2-NE2 3.32Å
289M52.8Low62.2Low47 Ų4799.3 Ų99.323%0.23256%0.557CS.*THydrogen-bonded Turntrans-82.5-22.7175.2-68.9-61.7-137.900111P287 K291 Y292 H313P287-M289 HydrophobicContact CB-CG 4.13Å; P287-M289 HydrophobicContact CG-CG 4.29Å; P287-M289 PolarHBondContact O-N 3.46Å; M289-K291 PolarHBondContact O-N 3.18Å; M289-Y292 PolarHBondContact O-N 2.77Å; M289-Y292 VanDerWaalsContact O-O 3.08Å; M289-H313 WeakPolarHBondContact CE-NE2 3.44Å
290D55.7Low64.4Low156 Ų15695.9 Ų95.983%0.83453%0.528SS*.THydrogen-bonded Turntrans-63.2-15-176.3-69.8-10.6000114.9
291K71.4Confident66.9Low111 Ų11191.3 Ų91.348%0.48350%0.495SS..THydrogen-bonded Turntrans-81.7-23.6174.9-167.7179.6174.3-165.10112.6M289 D374M289-K291 PolarHBondContact O-N 3.18Å; K291-D374 WeakPolarHBondContact CD-OD2 3.11Å; K291-D374 IonicContact NZ-OD1 2.73Å; K291-D374 PolarHBondContact NZ-OD1 3.31Å; K291-D374 IonicContact NZ-OD2 2.8Å; K291-D374 PolarHBondContact NZ-OD2 3.15Å
292Y81.7Confident69.1Low18 Ų1882.4 Ų82.47%0.07147%0.466CS..SBendtrans-105.2126.2-174.2-60.9-76.4000109.5M289 L294 V299 H300 L301 W312 C371 D374M289-Y292 PolarHBondContact O-N 2.77Å; M289-Y292 VanDerWaalsContact O-O 3.08Å; Y292-L294 PolarHBondContact O-N 2.66Å; Y292-V299 HydrophobicContact CD1-CG1 4.45Å; Y292-V299 HydrophobicContact CG-CG1 4.21Å; Y292-H300 WeakPolarHBondContact CD1-O 3.49Å; Y292-L301 HydrophobicContact CD1-CD2 3.73Å; Y292-L301 HydrophobicContact CE1-CD2 3.81Å; Y292-W312 HydrophobicContact CD1-CZ2 4.14Å; Y292-W312 AromaticContact CD2-CZ2 3.9Å; Y292-W312 HydrophobicContact CD2-CZ2 3.9Å; Y292-W312 AromaticContact CE1-CH2 4Å; Y292-W312 HydrophobicContact CE1-CH2 4Å; Y292-W312 AromaticContact CE1-CZ2 3.95Å; Y292-W312 HydrophobicContact CE1-CZ2 3.95Å; Y292-W312 HydrophobicContact CE2-CH2 4.35Å; Y292-W312 AromaticContact CE2-CZ2 3.73Å; Y292-W312 HydrophobicContact CE2-CZ2 3.73Å; Y292-W312 HydrophobicContact CG-CZ2 4.12Å; Y292-W312 AromaticContact CZ-CH2 3.92Å; Y292-W312 AromaticContact CZ-CZ2 3.76Å; Y292-C371 PolarHBondContact OH-SG 3.29Å; Y292-D374 PolarHBondContact OH-OD2 3.38Å
293I81.6Confident71.1Confident103 Ų10376.2 Ų76.253%0.52845%0.454SS..EExtended strand (participates in β ladder)trans-79.7119.9-179.3-57.1170000108.2H300 W306I293-H300 HydrophobicContact CB-CB 3.89Å; I293-H300 WeakPolarHBondContact O-CB 3.43Å; I293-H300 PolarHBondContact O-N 3.1Å; I293-W306 HydrophobicContact CG2-CH2 4.5Å
294L83.1Confident72.7Confident85 Ų8573.6 Ų73.645%0.44545%0.446SS..EExtended strand (participates in β ladder)trans-87.7121.3168.6-70.292.3000108.8Y292 K298 V299 E309Y292-L294 PolarHBondContact O-N 2.66Å; L294-K298 WeakPolarHBondContact CA-O 3.39Å; L294-V299 HydrophobicContact CG-CG2 4.32Å; L294-E309 HydrophobicContact CD2-CG 4.39Å; L294-E309 VanDerWaalsContact CD2-OE1 3.29Å; L294-E309 WeakPolarHBondContact CD2-OE1 3.07Å
295D83.5Confident74.9Confident79 Ų7970.5 Ų70.542%0.42242%0.418SS..EExtended strand (participates in β ladder)trans-143129.9173.4-177.342.1000109.5G297 K298 W306D295-G297 VanDerWaalsContact C-N 3.34Å; D295-G297 PolarHBondContact O-N 2.68Å; D295-K298 PolarHBondContact N-O 2.99Å; D295-K298 WeakPolarHBondContact O-CA 3.35Å; D295-K298 WeakPolarHBondContact O-CB 3.23Å; D295-K298 PolarHBondContact O-N 2.98Å; D295-K298 VanDerWaalsContact O-O 3.1Å; D295-W306 HydrophobicContact CB-CH2 3.74Å; D295-W306 HydrophobicContact CB-CZ3 3.65Å
296N84Confident77.1Confident140 Ų14069.5 Ų69.575%0.74940%0.398SS*.THydrogen-bonded Turntrans5143.6173.6-63.1-47.4000115.2K298N296-K298 PolarHBondContact O-N 3.18Å
297G87.2Confident79.5Confident40 Ų4066.4 Ų66.441%0.41237%0.372SS..THydrogen-bonded Turntrans7017.4-178.700000114.1D295 E309D295-G297 VanDerWaalsContact C-N 3.34Å; D295-G297 PolarHBondContact O-N 2.68Å; G297-E309 VanDerWaalsContact O-CB 3.23Å; G297-E309 WeakPolarHBondContact O-CB 3.39Å; G297-E309 PolarHBondContact O-N 2.91Å
298K90.4Very high81.6Confident112 Ų11265 Ų6549%0.48736%0.359SS..EExtended strand (participates in β ladder)trans-126.1148.7176.8-62.2177.9-174.1169.30110.4L294 D295 N296 W306 V307L294-K298 WeakPolarHBondContact CA-O 3.39Å; D295-K298 PolarHBondContact N-O 2.99Å; D295-K298 WeakPolarHBondContact O-CA 3.35Å; D295-K298 WeakPolarHBondContact O-CB 3.23Å; D295-K298 PolarHBondContact O-N 2.98Å; D295-K298 VanDerWaalsContact O-O 3.1Å; N296-K298 PolarHBondContact O-N 3.18Å; K298-W306 HydrophobicContact CB-CB 4.39Å; K298-W306 HydrophobicContact CB-CE3 3.89Å; K298-W306 HydrophobicContact CD-CB 4.27Å; K298-V307 CarbonylContact C-O 3.52Å; K298-V307 WeakPolarHBondContact CA-O 3.43Å; K298-V307 WeakPolarHBondContact CB-O 3.47Å
299V90.8Very high83.5Confident1 Ų164.9 Ų64.91%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-107.8124.9178.8-176.80000108.6Y292 L294 L301 W306 V307 E309 W312Y292-V299 HydrophobicContact CD1-CG1 4.45Å; Y292-V299 HydrophobicContact CG-CG1 4.21Å; L294-V299 HydrophobicContact CG-CG2 4.32Å; V299-L301 HydrophobicContact CG1-CD2 4.07Å; V299-W306 WeakPolarHBondContact O-CA 3.45Å; V299-V307 HydrophobicContact CB-CG2 3.99Å; V299-V307 PolarHBondContact N-O 3.48Å; V299-V307 WeakPolarHBondContact O-CG2 3.33Å; V299-V307 PolarHBondContact O-N 2.97Å; V299-E309 HydrophobicContact CG2-CB 4.09Å; V299-E309 HydrophobicContact CG2-CG 4.19Å; V299-W312 HydrophobicContact CB-CB 4.37Å; V299-W312 HydrophobicContact CB-CG 4.13Å; V299-W312 HydrophobicContact CG1-CD2 4.25Å; V299-W312 HydrophobicContact CG1-CG 4.11Å; V299-W312 HydrophobicContact CG2-CB 4.03Å; V299-W312 HydrophobicContact CG2-CG 3.94Å
300H92.4Very high85.3Confident42 Ų4268.9 Ų68.919%0.19437%0.372CS..EExtended strand (participates in β ladder)trans-82.8117.9175-173.6-108.5000110.3Y292 I293 G302 G304 W306Y292-H300 WeakPolarHBondContact CD1-O 3.49Å; I293-H300 HydrophobicContact CB-CB 3.89Å; I293-H300 WeakPolarHBondContact O-CB 3.43Å; I293-H300 PolarHBondContact O-N 3.1Å; H300-G302 PolarHBondContact ND1-N 3.06Å; H300-G304 PolarHBondContact NE2-N 3.06Å; H300-W306 HydrophobicContact CB-CD2 4.2Å; H300-W306 HydrophobicContact CB-CE3 3.81Å; H300-W306 HydrophobicContact CB-CH2 3.82Å; H300-W306 HydrophobicContact CB-CZ2 4.18Å; H300-W306 HydrophobicContact CB-CZ3 3.61Å; H300-W306 AromaticContact CD2-CD2 3.93Å; H300-W306 AromaticContact CD2-CE2 3.51Å; H300-W306 AromaticContact CD2-CZ2 3.66Å; H300-W306 AromaticContact CD2-NE1 3.76Å
301L89.3Confident87.1Confident10 Ų1067.4 Ų67.45%0.05236%0.358CS..EExtended strand (participates in β ladder)trans-91.4-3.8179.5-55.2-173.3000113.8Y292 V299 I305 V307 W312 L328 M331 I332 I367Y292-L301 HydrophobicContact CD1-CD2 3.73Å; Y292-L301 HydrophobicContact CE1-CD2 3.81Å; V299-L301 HydrophobicContact CG1-CD2 4.07Å; L301-I305 PolarHBondContact N-O 3.34Å; L301-V307 HydrophobicContact CD1-CB 4.37Å; L301-V307 HydrophobicContact CD1-CG1 3.53Å; L301-V307 HydrophobicContact CD1-CG2 3.88Å; L301-V307 HydrophobicContact CD2-CG2 3.88Å; L301-V307 HydrophobicContact CG-CG1 4.07Å; L301-V307 HydrophobicContact CG-CG2 3.83Å; L301-W312 HydrophobicContact CD1-CE3 4.39Å; L301-W312 HydrophobicContact CD1-CZ3 3.96Å; L301-W312 HydrophobicContact CD2-CD2 4.1Å; L301-W312 HydrophobicContact CD2-CE3 3.65Å; L301-W312 HydrophobicContact CD2-CH2 3.44Å; L301-W312 VanDerWaalsContact CD2-CH2 3.44Å; L301-W312 HydrophobicContact CD2-CZ2 3.88Å; L301-W312 HydrophobicContact CD2-CZ3 3.32Å; L301-W312 HydrophobicContact CG-CZ3 4.3Å; L301-L328 HydrophobicContact CD1-CD1 3.99Å; L301-M331 HydrophobicContact CD1-CE 4.33Å; L301-I332 HydrophobicContact CD1-CD1 4.27Å; L301-I332 HydrophobicContact CD1-CG1 4.16Å; L301-I367 HydrophobicContact CB-CG2 3.72Å; L301-I367 WeakPolarHBondContact O-CG2 3.33Å
302G85.4Confident88.1Confident18 Ų1862.1 Ų62.119%0.18634%0.335CS..EExtended strand (participates in β ladder)trans107.5164.8-17000000113.7H300 G304 I305 I367H300-G302 PolarHBondContact ND1-N 3.06Å; G302-G304 PolarHBondContact O-N 3.16Å; G302-I305 WeakPolarHBondContact O-CB 3.38Å; G302-I305 PolarHBondContact O-N 3.34Å; G302-I367 WeakPolarHBondContact O-CD1 3.49Å
303S81.7Confident88.5Confident82 Ų8265 Ų6557%0.57335%0.349SS*.THydrogen-bonded Turntrans43.734.1-177.5-47.20000115.7I305S303-I305 VanDerWaalsContact C-N 3.31Å; S303-I305 PolarHBondContact O-N 2.67Å
304G84.4Confident89Confident54 Ų5465.1 Ų65.156%0.55735%0.347SS*.THydrogen-bonded Turntrans7515.2179.800000114.9H300 G302H300-G304 PolarHBondContact NE2-N 3.06Å; G302-G304 PolarHBondContact O-N 3.16Å
305I89.9Confident89.5Confident14 Ų1461.4 Ų61.47%0.07233%0.328CS..EExtended strand (participates in β ladder)trans-90.4119.1175.7-52.6-176.1000109.3L301 G302 S303 V307 I332 K364 I367L301-I305 PolarHBondContact N-O 3.34Å; G302-I305 WeakPolarHBondContact O-CB 3.38Å; G302-I305 PolarHBondContact O-N 3.34Å; S303-I305 VanDerWaalsContact C-N 3.31Å; S303-I305 PolarHBondContact O-N 2.67Å; I305-V307 HydrophobicContact CG2-CG1 4.33Å; I305-I332 HydrophobicContact CD1-CG2 3.82Å; I305-I332 HydrophobicContact CG2-CG1 4.32Å; I305-K364 HydrophobicContact CD1-CB 4Å; I305-K364 HydrophobicContact CD1-CD 3.96Å; I305-K364 HydrophobicContact CD1-CG 3.59Å; I305-I367 HydrophobicContact CB-CD1 4.46Å; I305-I367 HydrophobicContact CD1-CD1 3.35Å; I305-I367 HydrophobicContact CG1-CD1 3.89Å
306W92.5Very high89.9Confident111 Ų11160.2 Ų60.242%0.4232%0.32SS..EExtended strand (participates in β ladder)trans-110.4132.7175.9-64.790.9000109.5I293 D295 K298 V299 H300I293-W306 HydrophobicContact CG2-CH2 4.5Å; D295-W306 HydrophobicContact CB-CH2 3.74Å; D295-W306 HydrophobicContact CB-CZ3 3.65Å; K298-W306 HydrophobicContact CB-CB 4.39Å; K298-W306 HydrophobicContact CB-CE3 3.89Å; K298-W306 HydrophobicContact CD-CB 4.27Å; V299-W306 WeakPolarHBondContact O-CA 3.45Å; H300-W306 HydrophobicContact CB-CD2 4.2Å; H300-W306 HydrophobicContact CB-CE3 3.81Å; H300-W306 HydrophobicContact CB-CH2 3.82Å; H300-W306 HydrophobicContact CB-CZ2 4.18Å; H300-W306 HydrophobicContact CB-CZ3 3.61Å; H300-W306 AromaticContact CD2-CD2 3.93Å; H300-W306 AromaticContact CD2-CE2 3.51Å; H300-W306 AromaticContact CD2-CZ2 3.66Å; H300-W306 AromaticContact CD2-NE1 3.76Å
307V92.5Very high90.2Very high5 Ų558.8 Ų58.83%0.0332%0.316CS..EExtended strand (participates in β ladder)trans-122.3151.1176.8-59.40000109.9K298 V299 L301 I305 E309 W312 M331K298-V307 CarbonylContact C-O 3.52Å; K298-V307 WeakPolarHBondContact CA-O 3.43Å; K298-V307 WeakPolarHBondContact CB-O 3.47Å; V299-V307 HydrophobicContact CB-CG2 3.99Å; V299-V307 PolarHBondContact N-O 3.48Å; V299-V307 WeakPolarHBondContact O-CG2 3.33Å; V299-V307 PolarHBondContact O-N 2.97Å; L301-V307 HydrophobicContact CD1-CB 4.37Å; L301-V307 HydrophobicContact CD1-CG1 3.53Å; L301-V307 HydrophobicContact CD1-CG2 3.88Å; L301-V307 HydrophobicContact CD2-CG2 3.88Å; L301-V307 HydrophobicContact CG-CG1 4.07Å; L301-V307 HydrophobicContact CG-CG2 3.83Å; I305-V307 HydrophobicContact CG2-CG1 4.33Å; V307-E309 PolarHBondContact O-N 3.49Å; V307-W312 HydrophobicContact CG2-CB 4.11Å; V307-W312 HydrophobicContact CG2-CD2 4.39Å; V307-W312 HydrophobicContact CG2-CE3 4.01Å; V307-W312 HydrophobicContact CG2-CG 4.47Å; V307-M331 HydrophobicContact CB-CE 4.11Å; V307-M331 HydrophobicContact CB-CG 3.84Å; V307-M331 HydrophobicContact CB-SD 3.77Å; V307-M331 HydrophobicContact CG1-CE 4.01Å; V307-M331 HydrophobicContact CG1-CG 3.63Å; V307-M331 HydrophobicContact CG1-SD 4.06Å; V307-M331 HydrophobicContact CG2-CE 4.04Å; V307-M331 HydrophobicContact CG2-SD 4.11Å
308D92.4Very high90.5Very high68 Ų6857.6 Ų57.636%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-62134.4176.9179.3-88.2000110.9E310 K311 W312D308-E310 PolarHBondContact O-N 3.32Å; D308-E310 WeakPolarHBondContact OD1-CB 3.32Å; D308-E310 PolarHBondContact OD1-N 3.45Å; D308-K311 HydrophobicContact CB-CB 4.17Å; D308-K311 HydrophobicContact CB-CD 4.08Å; D308-K311 HydrophobicContact CB-CG 4.18Å; D308-K311 PolarHBondContact O-N 3Å; D308-K311 PolarHBondContact OD1-N 3.31Å; D308-W312 WeakPolarHBondContact O-CB 3.25Å; D308-W312 PolarHBondContact O-N 3.16Å
309E90.9Very high90.6Very high67 Ų6759.9 Ų59.931%0.31331%0.313SS..Hα-helixtrans-62.6-42-175.5180176.9-173.800112.5L294 G297 V299 V307 K311 W312 H313L294-E309 HydrophobicContact CD2-CG 4.39Å; L294-E309 VanDerWaalsContact CD2-OE1 3.29Å; L294-E309 WeakPolarHBondContact CD2-OE1 3.07Å; G297-E309 VanDerWaalsContact O-CB 3.23Å; G297-E309 WeakPolarHBondContact O-CB 3.39Å; G297-E309 PolarHBondContact O-N 2.91Å; V299-E309 HydrophobicContact CG2-CB 4.09Å; V299-E309 HydrophobicContact CG2-CG 4.19Å; V307-E309 PolarHBondContact O-N 3.49Å; E309-K311 PolarHBondContact O-N 3.41Å; E309-W312 WeakPolarHBondContact O-CB 3.46Å; E309-W312 PolarHBondContact O-N 2.96Å; E309-H313 WeakPolarHBondContact CG-CE1 3.49Å; E309-H313 WeakPolarHBondContact CG-ND1 3.37Å; E309-H313 PolarHBondContact O-N 3.47Å; E309-H313 PolarHBondContact O-ND1 3.12Å; E309-H313 IonicContact OE1-CE1 3.33Å; E309-H313 PolarHBondContact OE1-CE1 3.36Å
310E91.4Very high90.7Very high130 Ų13061.5 Ų61.561%0.60733%0.33SS*.Hα-helixtrans-64.1-45.8179.4-165.3-164156.700110.5D308 W312 H313 Q314D308-E310 PolarHBondContact O-N 3.32Å; D308-E310 WeakPolarHBondContact OD1-CB 3.32Å; D308-E310 PolarHBondContact OD1-N 3.45Å; E310-W312 VanDerWaalsContact C-N 3.29Å; E310-W312 PolarHBondContact O-N 3.02Å; E310-H313 PolarHBondContact O-N 3.49Å; E310-Q314 WeakPolarHBondContact O-CG 3.45Å; E310-Q314 PolarHBondContact O-N 3.33Å; E310-Q314 PolarHBondContact OE1-NE2 2.93Å
311K92.2Very high90.9Very high125 Ų12560.3 Ų60.354%0.54333%0.325SS..Hα-helixtrans-64.4-34.8176.4-66.1180-173.4166.50112.2D308 E309 L315 M331D308-K311 HydrophobicContact CB-CB 4.17Å; D308-K311 HydrophobicContact CB-CD 4.08Å; D308-K311 HydrophobicContact CB-CG 4.18Å; D308-K311 PolarHBondContact O-N 3Å; D308-K311 PolarHBondContact OD1-N 3.31Å; E309-K311 PolarHBondContact O-N 3.41Å; K311-L315 WeakPolarHBondContact O-CB 3.49Å; K311-L315 PolarHBondContact O-N 3.17Å; K311-M331 HydrophobicContact CB-SD 4.11Å
312W93Very high91.2Very high0 Ų061.5 Ų61.50%033%0.334CS..Hα-helixtrans-63.3-48.1174178.7-110.4000111.4Y292 V299 L301 V307 D308 E309 E310 Q314 L315 Q316 L328 M331 C371Y292-W312 HydrophobicContact CD1-CZ2 4.14Å; Y292-W312 AromaticContact CD2-CZ2 3.9Å; Y292-W312 HydrophobicContact CD2-CZ2 3.9Å; Y292-W312 AromaticContact CE1-CH2 4Å; Y292-W312 HydrophobicContact CE1-CH2 4Å; Y292-W312 AromaticContact CE1-CZ2 3.95Å; Y292-W312 HydrophobicContact CE1-CZ2 3.95Å; Y292-W312 HydrophobicContact CE2-CH2 4.35Å; Y292-W312 AromaticContact CE2-CZ2 3.73Å; Y292-W312 HydrophobicContact CE2-CZ2 3.73Å; Y292-W312 HydrophobicContact CG-CZ2 4.12Å; Y292-W312 AromaticContact CZ-CH2 3.92Å; Y292-W312 AromaticContact CZ-CZ2 3.76Å; V299-W312 HydrophobicContact CB-CB 4.37Å; V299-W312 HydrophobicContact CB-CG 4.13Å; V299-W312 HydrophobicContact CG1-CD2 4.25Å; V299-W312 HydrophobicContact CG1-CG 4.11Å; V299-W312 HydrophobicContact CG2-CB 4.03Å; V299-W312 HydrophobicContact CG2-CG 3.94Å; L301-W312 HydrophobicContact CD1-CE3 4.39Å; L301-W312 HydrophobicContact CD1-CZ3 3.96Å; L301-W312 HydrophobicContact CD2-CD2 4.1Å; L301-W312 HydrophobicContact CD2-CE3 3.65Å; L301-W312 HydrophobicContact CD2-CH2 3.44Å; L301-W312 VanDerWaalsContact CD2-CH2 3.44Å; L301-W312 HydrophobicContact CD2-CZ2 3.88Å; L301-W312 HydrophobicContact CD2-CZ3 3.32Å; L301-W312 HydrophobicContact CG-CZ3 4.3Å; V307-W312 HydrophobicContact CG2-CB 4.11Å; V307-W312 HydrophobicContact CG2-CD2 4.39Å; V307-W312 HydrophobicContact CG2-CE3 4.01Å; V307-W312 HydrophobicContact CG2-CG 4.47Å; D308-W312 WeakPolarHBondContact O-CB 3.25Å; D308-W312 PolarHBondContact O-N 3.16Å; E309-W312 WeakPolarHBondContact O-CB 3.46Å; E309-W312 PolarHBondContact O-N 2.96Å; E310-W312 VanDerWaalsContact C-N 3.29Å; E310-W312 PolarHBondContact O-N 3.02Å; W312-Q314 PolarHBondContact O-N 2.94Å; W312-L315 HydrophobicContact CE3-CD2 4.07Å; W312-L315 HydrophobicContact CZ3-CD2 3.95Å; W312-L315 WeakPolarHBondContact O-CB 3.47Å; W312-L315 PolarHBondContact O-N 2.81Å; W312-L315 VanDerWaalsContact O-N 3.1Å; W312-Q316 WeakPolarHBondContact O-CG 3.34Å; W312-Q316 PolarHBondContact O-N 3.1Å; W312-L328 HydrophobicContact CZ3-CD1 4.13Å; W312-M331 HydrophobicContact CE3-CE 3.6Å; W312-M331 HydrophobicContact CZ3-CE 4Å; W312-C371 HydrophobicContact CH2-CB 4.49Å
313H91Very high91.8Very high78 Ų7866.6 Ų66.636%0.36135%0.351SS..Hα-helixtrans-60.2-45.2176.2-74.497.5000112.1M289 E309 E310 L315 Q316 V317M289-H313 WeakPolarHBondContact CE-NE2 3.44Å; E309-H313 WeakPolarHBondContact CG-CE1 3.49Å; E309-H313 WeakPolarHBondContact CG-ND1 3.37Å; E309-H313 PolarHBondContact O-N 3.47Å; E309-H313 PolarHBondContact O-ND1 3.12Å; E309-H313 IonicContact OE1-CE1 3.33Å; E309-H313 PolarHBondContact OE1-CE1 3.36Å; E310-H313 PolarHBondContact O-N 3.49Å; H313-L315 VanDerWaalsContact C-N 3.25Å; H313-L315 PolarHBondContact O-N 3.39Å; H313-Q316 PolarHBondContact O-N 2.86Å; H313-V317 PolarHBondContact O-N 3.42Å
314Q91.6Very high92.5Very high107 Ų10762.7 Ų62.750%0.532%0.324SS..Hα-helixtrans-61.4-34.1174.6-69.2176.620.200112.6E310 W312 V317 T318E310-Q314 WeakPolarHBondContact O-CG 3.45Å; E310-Q314 PolarHBondContact O-N 3.33Å; E310-Q314 PolarHBondContact OE1-NE2 2.93Å; W312-Q314 PolarHBondContact O-N 2.94Å; Q314-V317 WeakPolarHBondContact O-CG2 3.39Å; Q314-T318 PolarHBondContact O-OG1 2.8Å; Q314-T318 VanDerWaalsContact O-OG1 3.1Å
315L93.3Very high93.1Very high6 Ų660.1 Ų60.13%0.03130%0.298CS..Hα-helixtrans-67.3-44.1175.2-178.972.1000111.2K311 W312 H313 V317 T318 Y324 N327 L328 M331K311-L315 WeakPolarHBondContact O-CB 3.49Å; K311-L315 PolarHBondContact O-N 3.17Å; W312-L315 HydrophobicContact CE3-CD2 4.07Å; W312-L315 HydrophobicContact CZ3-CD2 3.95Å; W312-L315 WeakPolarHBondContact O-CB 3.47Å; W312-L315 PolarHBondContact O-N 2.81Å; W312-L315 VanDerWaalsContact O-N 3.1Å; H313-L315 VanDerWaalsContact C-N 3.25Å; H313-L315 PolarHBondContact O-N 3.39Å; L315-V317 VanDerWaalsContact C-N 3.3Å; L315-V317 PolarHBondContact O-N 3.46Å; L315-T318 WeakPolarHBondContact O-CB 3.46Å; L315-T318 PolarHBondContact O-N 2.83Å; L315-T318 PolarHBondContact O-OG1 3.01Å; L315-Y324 HydrophobicContact CD1-CD2 3.88Å; L315-Y324 HydrophobicContact CD1-CE2 4.24Å; L315-Y324 HydrophobicContact CD1-CG 4.46Å; L315-Y324 WeakPolarHBondContact CD1-O 3.26Å; L315-Y324 HydrophobicContact CD2-CD2 4.27Å; L315-Y324 HydrophobicContact CD2-CE2 3.81Å; L315-Y324 HydrophobicContact CG-CD2 3.69Å; L315-Y324 HydrophobicContact CG-CE2 3.56Å; L315-Y324 WeakPolarHBondContact O-CD2 3.37Å; L315-N327 HydrophobicContact CD1-CB 3.35Å; L315-L328 HydrophobicContact CD1-CB 4.37Å; L315-L328 HydrophobicContact CD2-CB 3.77Å; L315-L328 HydrophobicContact CD2-CD1 3.67Å; L315-L328 HydrophobicContact CD2-CG 4.21Å; L315-M331 HydrophobicContact CD2-CE 3.42Å; L315-M331 VanDerWaalsContact CD2-CE 3.42Å
316Q91.2Very high93.4Very high54 Ų5461 Ų6125%0.25230%0.301SS..Hα-helixtrans-59.1-39.9-178.1-69.9-62.5-29.200112.3W312 H313 T318 Y324W312-Q316 WeakPolarHBondContact O-CG 3.34Å; W312-Q316 PolarHBondContact O-N 3.1Å; H313-Q316 PolarHBondContact O-N 2.86Å; Q316-T318 PolarHBondContact O-N 2.75Å; Q316-Y324 PolarHBondContact NE2-OH 3.39Å
317V91.1Very high93.6Very high110 Ų11058.6 Ų58.667%0.66730%0.296SS*.THydrogen-bonded Turntrans-74.6-8.7177.7-59.20000114.3H313 Q314 L315 Q319H313-V317 PolarHBondContact O-N 3.42Å; Q314-V317 WeakPolarHBondContact O-CG2 3.39Å; L315-V317 VanDerWaalsContact C-N 3.3Å; L315-V317 PolarHBondContact O-N 3.46Å; V317-Q319 PolarHBondContact O-N 3.29Å
318T93.4Very high93.8Very high15 Ų1558.3 Ų58.39%0.09230%0.295CS..  trans-65.2123.9-177.8-68.60000110.6Q314 L315 Q316 K323 R375Q314-T318 PolarHBondContact O-OG1 2.8Å; Q314-T318 VanDerWaalsContact O-OG1 3.1Å; L315-T318 WeakPolarHBondContact O-CB 3.46Å; L315-T318 PolarHBondContact O-N 2.83Å; L315-T318 PolarHBondContact O-OG1 3.01Å; Q316-T318 PolarHBondContact O-N 2.75Å; T318-K323 HydrophobicContact CG2-CB 3.68Å; T318-K323 HydrophobicContact CG2-CD 3.6Å; T318-K323 HydrophobicContact CG2-CG 3.45Å; T318-K323 VanDerWaalsContact CG2-CG 3.45Å; T318-R375 PolarHBondContact O-NH1 2.91Å; T318-R375 PolarHBondContact O-NH2 3.44Å
319Q91.8Very high94Very high160 Ų16055.1 Ų55.175%0.74828%0.277SS*.  trans-78.6132.3179.5-67.8-65.8-30.600113.1V317V317-Q319 PolarHBondContact O-N 3.29Å
320G94.1Very high94.3Very high36 Ų3653.9 Ų53.937%0.37127%0.274SS..SBendtrans85.1138.6173.300000115.4S322 K323 Y324G320-S322 VanDerWaalsContact C-N 3.32Å; G320-S322 PolarHBondContact O-N 2.91Å; G320-K323 PolarHBondContact O-N 3.41Å; G320-Y324 PolarHBondContact O-N 2.91Å
321D96.1Very high94.4Very high16 Ų1649.8 Ų49.89%0.08626%0.256CS..Hα-helixtrans-54.6-44.3-176.1-60.6-16.6000113.3K323 Y324 T325 L372 R389 Y396D321-K323 VanDerWaalsContact C-N 3.35Å; D321-K323 PolarHBondContact O-N 3.01Å; D321-Y324 PolarHBondContact O-N 3.46Å; D321-T325 WeakPolarHBondContact O-CB 3.36Å; D321-T325 PolarHBondContact O-N 2.91Å; D321-T325 PolarHBondContact O-OG1 2.98Å; D321-L372 HydrophobicContact CB-CD1 4.13Å; D321-R389 VanDerWaalsContact CG-NH2 3.33Å; D321-R389 IonicContact OD1-CZ 2.74Å; D321-R389 IonicContact OD1-NE 2.97Å; D321-R389 IonicContact OD1-NH2 3.44Å; D321-R389 PolarHBondContact OD1-NH2 3.21Å; D321-R389 IonicContact OD2-CZ 2.68Å; D321-R389 IonicContact OD2-NE 3.31Å; D321-R389 PolarHBondContact OD2-NE 3.44Å; D321-R389 IonicContact OD2-NH2 3.59Å; D321-R389 PolarHBondContact OD2-NH2 2.76Å; D321-Y396 HydrophobicContact CB-CE2 3.8Å
322S96.6Very high94.5Very high35 Ų3544.3 Ų44.325%0.24523%0.232CC..Hα-helixtrans-59.4-48.8-177.4-170.20000110.7G320 K326 Y396G320-S322 VanDerWaalsContact C-N 3.32Å; G320-S322 PolarHBondContact O-N 2.91Å; S322-K326 VanDerWaalsContact O-CB 3.28Å; S322-K326 WeakPolarHBondContact O-CB 3.39Å; S322-K326 WeakPolarHBondContact O-CG 3.44Å; S322-K326 PolarHBondContact O-N 2.93Å; S322-K326 WeakPolarHBondContact OG-CE 3.42Å; S322-K326 PolarHBondContact OG-NZ 2.8Å; S322-Y396 WeakPolarHBondContact OG-CD1 3.42Å
323K96Very high94.6Very high125 Ų12545.1 Ų45.154%0.54324%0.235SC..Hα-helixtrans-68.7-42.2-178.2-165.6178.7169.1-173.60110.8T318 G320 D321 K326 N327T318-K323 HydrophobicContact CG2-CB 3.68Å; T318-K323 HydrophobicContact CG2-CD 3.6Å; T318-K323 HydrophobicContact CG2-CG 3.45Å; T318-K323 VanDerWaalsContact CG2-CG 3.45Å; G320-K323 PolarHBondContact O-N 3.41Å; D321-K323 VanDerWaalsContact C-N 3.35Å; D321-K323 PolarHBondContact O-N 3.01Å; K323-K326 PolarHBondContact O-N 3.18Å; K323-N327 WeakPolarHBondContact O-CB 3.46Å; K323-N327 PolarHBondContact O-N 3.44Å
324Y97Very high94.7Very high1 Ų142.7 Ų42.70%0.00423%0.231CC..Hα-helixtrans-58-56.2175.3-178.1-98.4000112.1L315 Q316 G320 D321 K326 N327 L328 L372 R375L315-Y324 HydrophobicContact CD1-CD2 3.88Å; L315-Y324 HydrophobicContact CD1-CE2 4.24Å; L315-Y324 HydrophobicContact CD1-CG 4.46Å; L315-Y324 WeakPolarHBondContact CD1-O 3.26Å; L315-Y324 HydrophobicContact CD2-CD2 4.27Å; L315-Y324 HydrophobicContact CD2-CE2 3.81Å; L315-Y324 HydrophobicContact CG-CD2 3.69Å; L315-Y324 HydrophobicContact CG-CE2 3.56Å; L315-Y324 WeakPolarHBondContact O-CD2 3.37Å; Q316-Y324 PolarHBondContact NE2-OH 3.39Å; G320-Y324 PolarHBondContact O-N 2.91Å; D321-Y324 PolarHBondContact O-N 3.46Å; Y324-K326 VanDerWaalsContact C-N 3.29Å; Y324-K326 PolarHBondContact O-N 3.2Å; Y324-N327 PolarHBondContact O-N 2.93Å; Y324-L328 HydrophobicContact CE1-CD2 3.98Å; Y324-L328 VanDerWaalsContact O-CB 3.31Å; Y324-L328 WeakPolarHBondContact O-CB 3.49Å; Y324-L328 PolarHBondContact O-N 3.21Å; Y324-L372 HydrophobicContact CD1-CD1 3.89Å; Y324-L372 HydrophobicContact CE1-CD1 4.36Å; Y324-R375 VanDerWaalsContact CB-NH1 3.28Å
325T97.4Very high94.9Very high0 Ų040.8 Ų40.80%023%0.227CC..Hα-helixtrans-59-40.4-180-55.50000112D321 A329 V368 V393 Y396 I397D321-T325 WeakPolarHBondContact O-CB 3.36Å; D321-T325 PolarHBondContact O-N 2.91Å; D321-T325 PolarHBondContact O-OG1 2.98Å; T325-A329 WeakPolarHBondContact O-CB 3.45Å; T325-A329 PolarHBondContact O-N 2.93Å; T325-V368 HydrophobicContact CG2-CG1 3.84Å; T325-V393 HydrophobicContact CG2-CG1 4.19Å; T325-Y396 HydrophobicContact CG2-CD2 4.32Å; T325-I397 HydrophobicContact CG2-CG1 3.99Å
326K97Very high94.8Very high33 Ų3345 Ų4514%0.14325%0.25CS..Hα-helixtrans-67.2-38.4179.4-71.1-178-178177.50112.6S322 K323 Y324 V330 Y396 E399 K400S322-K326 VanDerWaalsContact O-CB 3.28Å; S322-K326 WeakPolarHBondContact O-CB 3.39Å; S322-K326 WeakPolarHBondContact O-CG 3.44Å; S322-K326 PolarHBondContact O-N 2.93Å; S322-K326 WeakPolarHBondContact OG-CE 3.42Å; S322-K326 PolarHBondContact OG-NZ 2.8Å; K323-K326 PolarHBondContact O-N 3.18Å; Y324-K326 VanDerWaalsContact C-N 3.29Å; Y324-K326 PolarHBondContact O-N 3.2Å; K326-V330 PolarHBondContact O-N 3.4Å; K326-Y396 WeakPolarHBondContact CE-O 3.4Å; K326-Y396 WeakPolarHBondContact CG-O 3.24Å; K326-E399 WeakPolarHBondContact CE-OE2 3.41Å; K326-E399 IonicContact NZ-OE2 2.75Å; K326-E399 PolarHBondContact NZ-OE2 3.09Å; K326-K400 HydrophobicContact CB-CB 4.21Å; K326-K400 HydrophobicContact CB-CD 4Å; K326-K400 HydrophobicContact CB-CG 4.19Å; K326-K400 HydrophobicContact CD-CB 4.37Å; K326-K400 HydrophobicContact CG-CB 3.92Å; K326-K400 HydrophobicContact CG-CD 4.43Å; K326-K400 HydrophobicContact CG-CG 4.44Å
327N96.5Very high94.9Very high59 Ų5945.3 Ų45.332%0.31626%0.255SS..Hα-helixtrans-74-42.8177.2-74-3.4000111.1L315 K323 Y324 A329 V330 M331L315-N327 HydrophobicContact CD1-CB 3.35Å; K323-N327 WeakPolarHBondContact O-CB 3.46Å; K323-N327 PolarHBondContact O-N 3.44Å; Y324-N327 PolarHBondContact O-N 2.93Å; N327-A329 VanDerWaalsContact C-N 3.29Å; N327-A329 PolarHBondContact O-N 3.42Å; N327-V330 PolarHBondContact O-N 3.25Å; N327-V330 VanDerWaalsContact O-N 3.12Å; N327-M331 PolarHBondContact O-N 3.2Å
328L96.6Very high95.1Very high0 Ų040.1 Ų40.10%022%0.224CC..Hα-helixtrans-56.9-42.5173.5-177.955.4000111.7L301 W312 L315 Y324 V330 M331 I332 V368 C371L301-L328 HydrophobicContact CD1-CD1 3.99Å; W312-L328 HydrophobicContact CZ3-CD1 4.13Å; L315-L328 HydrophobicContact CD1-CB 4.37Å; L315-L328 HydrophobicContact CD2-CB 3.77Å; L315-L328 HydrophobicContact CD2-CD1 3.67Å; L315-L328 HydrophobicContact CD2-CG 4.21Å; Y324-L328 HydrophobicContact CE1-CD2 3.98Å; Y324-L328 VanDerWaalsContact O-CB 3.31Å; Y324-L328 WeakPolarHBondContact O-CB 3.49Å; Y324-L328 PolarHBondContact O-N 3.21Å; L328-V330 PolarHBondContact O-N 3.5Å; L328-M331 HydrophobicContact CD1-CE 3.51Å; L328-M331 WeakPolarHBondContact O-CB 3.47Å; L328-M331 PolarHBondContact O-N 3.33Å; L328-M331 VanDerWaalsContact O-N 3.16Å; L328-I332 HydrophobicContact CD1-CD1 3.67Å; L328-I332 HydrophobicContact CD1-CG1 4.04Å; L328-I332 HydrophobicContact CG-CD1 3.82Å; L328-I332 WeakPolarHBondContact O-CG1 3.19Å; L328-I332 PolarHBondContact O-N 3.19Å; L328-V368 HydrophobicContact CD2-CB 4.45Å; L328-V368 HydrophobicContact CD2-CG1 4.21Å; L328-V368 HydrophobicContact CD2-CG2 4.48Å; L328-V368 HydrophobicContact CG-CG2 4.43Å; L328-C371 HydrophobicContact CD2-CB 3.59Å
329A96.6Very high95Very high0 Ų042.3 Ų42.30%023%0.232CC..Hα-helixtrans-61.9-42.8175.900000112.4T325 N327 M331 I332 W333 L338 I397T325-A329 WeakPolarHBondContact O-CB 3.45Å; T325-A329 PolarHBondContact O-N 2.93Å; N327-A329 VanDerWaalsContact C-N 3.29Å; N327-A329 PolarHBondContact O-N 3.42Å; A329-M331 VanDerWaalsContact C-N 3.26Å; A329-M331 PolarHBondContact O-N 3.33Å; A329-I332 PolarHBondContact O-N 2.94Å; A329-W333 HydrophobicContact CB-CE3 4.14Å; A329-W333 HydrophobicContact CB-CZ3 4.1Å; A329-W333 PolarHBondContact O-N 3.16Å; A329-W333 VanDerWaalsContact O-N 3.07Å; A329-L338 HydrophobicContact CB-CD1 4.33Å; A329-I397 HydrophobicContact CB-CG1 4.38Å
330V95.9Very high95Very high41 Ų4139.4 Ų39.425%0.24822%0.222CC..Hα-helixtrans-64.2-36175.3172.80000111.1K326 N327 L328 G334 T335 L338 K400 I404K326-V330 PolarHBondContact O-N 3.4Å; N327-V330 PolarHBondContact O-N 3.25Å; N327-V330 VanDerWaalsContact O-N 3.12Å; L328-V330 PolarHBondContact O-N 3.5Å; V330-G334 WeakPolarHBondContact O-CA 3.49Å; V330-G334 PolarHBondContact O-N 3.3Å; V330-T335 HydrophobicContact CG1-CG2 4.04Å; V330-L338 HydrophobicContact CG2-CD1 3.94Å; V330-K400 HydrophobicContact CG2-CD 4.32Å; V330-K400 HydrophobicContact CG2-CG 4.23Å; V330-I404 HydrophobicContact CG2-CD1 4.23Å
331M94.4Very high95Very high45 Ų4542 Ų4222%0.22222%0.22CC..Hα-helixtrans-68.2-38.1178.5-165.6168.658.900112.9L301 V307 K311 W312 L315 N327 L328 A329L301-M331 HydrophobicContact CD1-CE 4.33Å; V307-M331 HydrophobicContact CB-CE 4.11Å; V307-M331 HydrophobicContact CB-CG 3.84Å; V307-M331 HydrophobicContact CB-SD 3.77Å; V307-M331 HydrophobicContact CG1-CE 4.01Å; V307-M331 HydrophobicContact CG1-CG 3.63Å; V307-M331 HydrophobicContact CG1-SD 4.06Å; V307-M331 HydrophobicContact CG2-CE 4.04Å; V307-M331 HydrophobicContact CG2-SD 4.11Å; K311-M331 HydrophobicContact CB-SD 4.11Å; W312-M331 HydrophobicContact CE3-CE 3.6Å; W312-M331 HydrophobicContact CZ3-CE 4Å; L315-M331 HydrophobicContact CD2-CE 3.42Å; L315-M331 VanDerWaalsContact CD2-CE 3.42Å; N327-M331 PolarHBondContact O-N 3.2Å; L328-M331 HydrophobicContact CD1-CE 3.51Å; L328-M331 WeakPolarHBondContact O-CB 3.47Å; L328-M331 PolarHBondContact O-N 3.33Å; L328-M331 VanDerWaalsContact O-N 3.16Å; A329-M331 VanDerWaalsContact C-N 3.26Å; A329-M331 PolarHBondContact O-N 3.33Å
332I94.8Very high94.7Very high10 Ų1042.2 Ų42.25%0.05122%0.223CC..Hα-helixtrans-79.9-37.3-177.1-72.2174.7000113.5L301 I305 L328 A329 K364 I367 V368L301-I332 HydrophobicContact CD1-CD1 4.27Å; L301-I332 HydrophobicContact CD1-CG1 4.16Å; I305-I332 HydrophobicContact CD1-CG2 3.82Å; I305-I332 HydrophobicContact CG2-CG1 4.32Å; L328-I332 HydrophobicContact CD1-CD1 3.67Å; L328-I332 HydrophobicContact CD1-CG1 4.04Å; L328-I332 HydrophobicContact CG-CD1 3.82Å; L328-I332 WeakPolarHBondContact O-CG1 3.19Å; L328-I332 PolarHBondContact O-N 3.19Å; A329-I332 PolarHBondContact O-N 2.94Å; I332-K364 HydrophobicContact CG2-CB 3.9Å; I332-K364 HydrophobicContact CG2-CD 3.85Å; I332-K364 HydrophobicContact CG2-CG 4.3Å; I332-K364 PolarHBondContact O-NZ 2.86Å; I332-I367 HydrophobicContact CD1-CG2 4Å; I332-V368 HydrophobicContact CD1-CG2 3.61Å
333W94.5Very high94.4Very high16 Ų1641.1 Ų41.16%0.06122%0.215CC..Hα-helixtrans-108.6-26.4-176.6-74.7-83.1000113.9A329 V337 L338 L360 K364 L365 V368A329-W333 HydrophobicContact CB-CE3 4.14Å; A329-W333 HydrophobicContact CB-CZ3 4.1Å; A329-W333 PolarHBondContact O-N 3.16Å; A329-W333 VanDerWaalsContact O-N 3.07Å; W333-V337 HydrophobicContact CB-CB 4.18Å; W333-V337 HydrophobicContact CB-CG1 4.24Å; W333-V337 HydrophobicContact CG-CG1 4.44Å; W333-V337 WeakPolarHBondContact O-CB 3.38Å; W333-V337 WeakPolarHBondContact O-CG2 3.09Å; W333-L338 HydrophobicContact CB-CD2 3.89Å; W333-L338 HydrophobicContact CB-CG 3.83Å; W333-L338 HydrophobicContact CD2-CD2 4.25Å; W333-L338 HydrophobicContact CE3-CD2 4.24Å; W333-L338 HydrophobicContact CG-CD2 4.14Å; W333-L360 HydrophobicContact CD2-CD2 4.26Å; W333-L360 HydrophobicContact CG-CD2 4.33Å; W333-L360 HydrophobicContact CH2-CD1 4.41Å; W333-L360 HydrophobicContact CZ2-CB 4.08Å; W333-L360 HydrophobicContact CZ2-CD1 4.24Å; W333-L360 HydrophobicContact CZ2-CD2 4.43Å; W333-L360 HydrophobicContact CZ2-CG 4.49Å; W333-K364 HydrophobicContact CH2-CB 3.99Å; W333-K364 HydrophobicContact CZ2-CB 3.3Å; W333-K364 HydrophobicContact CZ2-CD 4.48Å; W333-K364 HydrophobicContact CZ2-CG 4.45Å; W333-L365 HydrophobicContact CH2-CB 4.45Å; W333-L365 HydrophobicContact CH2-CD1 4.25Å; W333-V368 HydrophobicContact CH2-CG2 3.66Å; W333-V368 HydrophobicContact CZ3-CG2 3.52Å
334G94Very high94Very high27 Ų2739.6 Ų39.628%0.27822%0.216SC..  trans77158.8-166.300000112.7V330 D336 L338V330-G334 WeakPolarHBondContact O-CA 3.49Å; V330-G334 PolarHBondContact O-N 3.3Å; G334-D336 VanDerWaalsContact C-N 3.32Å; G334-D336 PolarHBondContact O-N 3.09Å; G334-L338 WeakPolarHBondContact O-CG 3.49Å; G334-L338 PolarHBondContact O-N 3.41Å
335T94.1Very high93.5Very high67 Ų6740.4 Ų40.441%0.41123%0.225SC..Hα-helixtrans-62.6-37.6178.241.10000112.4V330 V337 L338 K339 I404V330-T335 HydrophobicContact CG1-CG2 4.04Å; T335-V337 PolarHBondContact O-N 3.13Å; T335-L338 PolarHBondContact O-N 2.9Å; T335-K339 PolarHBondContact O-N 3.32Å; T335-I404 HydrophobicContact CG2-CD1 4.42Å
336D92.1Very high92.9Very high96 Ų9645.3 Ų45.351%0.51325%0.254SS..Hα-helixtrans-70.5-30.6-176-62.6-60.8000114.2G334 K339 N340G334-D336 VanDerWaalsContact C-N 3.32Å; G334-D336 PolarHBondContact O-N 3.09Å; D336-K339 WeakPolarHBondContact O-CG 3.5Å; D336-K339 IonicContact OD1-NZ 3.72Å; D336-K339 PolarHBondContact OD1-NZ 3.13Å; D336-N340 PolarHBondContact O-ND2 3.15Å
337V93.5Very high92.2Very high60 Ų6045.8 Ų45.836%0.36426%0.264SS..Hα-helixtrans-79.7-43.6174.3-179.90000109.7W333 T335 K339 N340 R341W333-V337 HydrophobicContact CB-CB 4.18Å; W333-V337 HydrophobicContact CB-CG1 4.24Å; W333-V337 HydrophobicContact CG-CG1 4.44Å; W333-V337 WeakPolarHBondContact O-CB 3.38Å; W333-V337 WeakPolarHBondContact O-CG2 3.09Å; T335-V337 PolarHBondContact O-N 3.13Å; V337-K339 PolarHBondContact O-N 3.29Å; V337-N340 PolarHBondContact O-N 2.88Å; V337-R341 HydrophobicContact CG1-CG 3.93Å; V337-R341 WeakPolarHBondContact O-CB 3.43Å; V337-R341 WeakPolarHBondContact O-CG 3.46Å; V337-R341 PolarHBondContact O-N 3.26Å
338L94.5Very high91.4Very high0 Ų047 Ų470%027%0.274CS..Hα-helixtrans-63.2-38.2-178.9-72.4178.1000113A329 V330 W333 G334 T335 N340 R341 L360 I401 I404A329-L338 HydrophobicContact CB-CD1 4.33Å; V330-L338 HydrophobicContact CG2-CD1 3.94Å; W333-L338 HydrophobicContact CB-CD2 3.89Å; W333-L338 HydrophobicContact CB-CG 3.83Å; W333-L338 HydrophobicContact CD2-CD2 4.25Å; W333-L338 HydrophobicContact CE3-CD2 4.24Å; W333-L338 HydrophobicContact CG-CD2 4.14Å; G334-L338 WeakPolarHBondContact O-CG 3.49Å; G334-L338 PolarHBondContact O-N 3.41Å; T335-L338 PolarHBondContact O-N 2.9Å; L338-N340 PolarHBondContact O-N 3.31Å; L338-R341 PolarHBondContact O-N 2.89Å; L338-L360 HydrophobicContact CD2-CD1 4.46Å; L338-L360 HydrophobicContact CD2-CD2 3.91Å; L338-I401 HydrophobicContact CB-CG1 4.3Å; L338-I401 HydrophobicContact CD2-CD1 4.35Å; L338-I401 HydrophobicContact CD2-CG1 4.16Å; L338-I404 HydrophobicContact CB-CD1 3.78Å; L338-I404 HydrophobicContact CD1-CD1 3.76Å; L338-I404 HydrophobicContact CG-CD1 4.45Å
339K92.4Very high90.6Very high61 Ų6157 Ų5727%0.26532%0.318SS..Hα-helixtrans-59.9-32.3178.476-168.1-178.5-168.20112.2T335 D336 V337 K357 I404 N405T335-K339 PolarHBondContact O-N 3.32Å; D336-K339 WeakPolarHBondContact O-CG 3.5Å; D336-K339 IonicContact OD1-NZ 3.72Å; D336-K339 PolarHBondContact OD1-NZ 3.13Å; V337-K339 PolarHBondContact O-N 3.29Å; K339-K357 PolarHBondContact O-NZ 3.28Å; K339-I404 HydrophobicContact CB-CG2 3.74Å; K339-N405 PolarHBondContact O-OD1 2.86Å; K339-N405 VanDerWaalsContact O-OD1 3.07Å
340N91.9Very high89.8Confident100 Ų10066.5 Ų66.554%0.53536%0.359SS..Hα-helixtrans-99.1-0.9-173.5-67.1-40.4000114.7D336 V337 L338D336-N340 PolarHBondContact O-ND2 3.15Å; V337-N340 PolarHBondContact O-N 2.88Å; L338-N340 PolarHBondContact O-N 3.31Å
341R92.4Very high89.1Confident89 Ų8971.3 Ų71.334%0.33638%0.376SS..  trans-116.3170.2-177-65.9-88.2179.8163.5-4.2111.7V337 L338 P358 P359 L360V337-R341 HydrophobicContact CG1-CG 3.93Å; V337-R341 WeakPolarHBondContact O-CB 3.43Å; V337-R341 WeakPolarHBondContact O-CG 3.46Å; V337-R341 PolarHBondContact O-N 3.26Å; L338-R341 PolarHBondContact O-N 2.89Å; R341-P358 WeakPolarHBondContact CA-O 3.3Å; R341-P358 WeakPolarHBondContact CD-O 3.22Å; R341-P359 WeakPolarHBondContact CD-O 3.05Å; R341-P359 PolarHBondContact NH1-O 2.9Å; R341-L360 HydrophobicContact CB-CD2 3.67Å; R341-L360 HydrophobicContact CB-CG 4.46Å; R341-L360 HydrophobicContact CG-CD2 4.22Å
342S91.5Very high88Confident22 Ų2279 Ų7915%0.15441%0.408CS..BIsolated β-bridgetrans-131.3159.8166.869.40000110.4T344 G345 K357 P358 P359 L360S342-T344 PolarHBondContact O-N 3.29Å; S342-G345 WeakPolarHBondContact OG-CA 3.44Å; S342-G345 PolarHBondContact OG-N 3.11Å; S342-K357 PolarHBondContact OG-O 2.88Å; S342-P358 PolarHBondContact N-O 2.87Å; S342-P359 CarbonylContact O-C 3.53Å; S342-P359 VanDerWaalsContact O-CA 3.23Å; S342-P359 WeakPolarHBondContact O-CA 3.22Å; S342-L360 PolarHBondContact O-N 3.32Å
343V89.8Confident87.1Confident12 Ų1285.5 Ų85.57%0.07344%0.443CS..SBendtrans-63.8-41.8-178.71780000111.6L360 N394 I397 C398 I401V343-L360 HydrophobicContact CG2-CD1 4.1Å; V343-N394 HydrophobicContact CG1-CB 4.12Å; V343-I397 HydrophobicContact CG2-CB 3.91Å; V343-I397 HydrophobicContact CG2-CG2 3.61Å; V343-C398 HydrophobicContact CG2-CB 4.43Å; V343-C398 WeakPolarHBondContact CG2-SG 3.28Å; V343-I401 HydrophobicContact CG2-CD1 4.13Å
344T87.5Confident86.3Confident93 Ų9386 Ų8657%0.57145%0.452SS*.SBendtrans-109.4-13.3-172.756.50000114.7S342 V346S342-T344 PolarHBondContact O-N 3.29Å; T344-V346 VanDerWaalsContact C-N 3.25Å; T344-V346 PolarHBondContact O-N 3.46Å; T344-V346 PolarHBondContact OG1-N 2.98Å
345G86.1Confident85.4Confident17 Ų1790.8 Ų90.818%0.17548%0.475CS..  trans85-8.8-172.400000114.6S342 P356 K357S342-G345 WeakPolarHBondContact OG-CA 3.44Å; S342-G345 PolarHBondContact OG-N 3.11Å; G345-P356 WeakPolarHBondContact O-CB 3.38Å; G345-K357 VanDerWaalsContact CA-O 3.28Å; G345-K357 WeakPolarHBondContact CA-O 3.42Å
346V85Confident84.9Confident103 Ų10391.4 Ų91.462%0.62448%0.48SS*.PPolyproline II helixtrans-83129.2-169-176.70000111.2T344T344-V346 VanDerWaalsContact C-N 3.25Å; T344-V346 PolarHBondContact O-N 3.46Å; T344-V346 PolarHBondContact OG1-N 2.98Å
347A81.1Confident84.6Confident43 Ų4390.3 Ų90.336%0.35547%0.471SS..PPolyproline II helixtrans-60.4144.1174.200000111.6K349 A354 P356A347-K349 PolarHBondContact O-N 3.4Å; A347-A354 WeakPolarHBondContact CB-O 3.32Å; A347-P356 HydrophobicContact CB-CB 4.12Å
348T79.8Confident84.5Confident84 Ų8490.7 Ų90.752%0.51547%0.474SS..PPolyproline II helixtrans-72.8120-179-66.50000110.6K350 K351T348-K350 HydrophobicContact CG2-CB 3.72Å; T348-K350 HydrophobicContact CG2-CG 4.02Å; T348-K350 PolarHBondContact O-N 3.42Å; T348-K351 PolarHBondContact O-N 3.42Å; T348-K351 VanDerWaalsContact O-N 3.09Å
349K80.4Confident84.3Confident212 Ų21293.8 Ų93.892%0.92249%0.494SS*.THydrogen-bonded Turntrans-56.2-20.7176.1-63.3-175.2180-1770114.6A347 K351A347-K349 PolarHBondContact O-N 3.4Å; K349-K351 VanDerWaalsContact C-N 3.3Å; K349-K351 PolarHBondContact O-N 2.93Å
350K81.1Confident84.3Confident198 Ų19891.1 Ų91.186%0.86148%0.483SS*.THydrogen-bonded Turntrans-72.3-17178.5-58.3-172.6173.7-174.40114.2T348T348-K350 HydrophobicContact CG2-CB 3.72Å; T348-K350 HydrophobicContact CG2-CG 4.02Å; T348-K350 PolarHBondContact O-N 3.42Å
351K79.2Confident84.3Confident142 Ų14287.9 Ų87.962%0.61747%0.468SS*.  trans-124.6112.6-179.9-76.6-169.7174-165.10108.4T348 K349 D353 A354T348-K351 PolarHBondContact O-N 3.42Å; T348-K351 VanDerWaalsContact O-N 3.09Å; K349-K351 VanDerWaalsContact C-N 3.3Å; K349-K351 PolarHBondContact O-N 2.93Å; K351-D353 PolarHBondContact O-N 3.49Å; K351-A354 HydrophobicContact CB-CB 3.64Å; K351-A354 PolarHBondContact O-N 3.44Å
352K72.7Confident84.2Confident206 Ų20688.6 Ų88.690%0.89648%0.484SS*.THydrogen-bonded Turntrans-57.6-33.4-176.6-166.7175.6176.5-176.10112.4
353D76.2Confident84.2Confident147 Ų14792 Ų9279%0.78650%0.498SS*.THydrogen-bonded Turntrans-111.125.2-176.2-45.4-58.4000113K351 V355K351-D353 PolarHBondContact O-N 3.49Å; D353-V355 PolarHBondContact O-N 3.33Å
354A76.3Confident84.3Confident28 Ų2894 Ų9423%0.23151%0.505CS..  trans-73113.3177.200000111.3A347 K351A347-A354 WeakPolarHBondContact CB-O 3.32Å; K351-A354 HydrophobicContact CB-CB 3.64Å; K351-A354 PolarHBondContact O-N 3.44Å
355V76.3Confident84.6Confident127 Ų12790.3 Ų90.377%0.7748%0.482SS*.PPolyproline II helixtrans-61.1125.5170.1-178.10000109.4D353 K357D353-V355 PolarHBondContact O-N 3.33Å; V355-K357 PolarHBondContact O-N 3.31Å
356P82.4Confident85Confident79 Ų7991.8 Ų91.851%0.51349%0.49SS..PPolyproline II helixtrans-62.9124.5178.523.5-31.3000110.4G345 A347G345-P356 WeakPolarHBondContact O-CB 3.38Å; A347-P356 HydrophobicContact CB-CB 4.12Å
357K87.3Confident85.4Confident74 Ų7486.9 Ų86.932%0.32246%0.46SS..PPolyproline II helixtrans-76.7138.4172.9-68-173.4175.5-169.90109.2K339 S342 G345 V355 N405K339-K357 PolarHBondContact O-NZ 3.28Å; S342-K357 PolarHBondContact OG-O 2.88Å; G345-K357 VanDerWaalsContact CA-O 3.28Å; G345-K357 WeakPolarHBondContact CA-O 3.42Å; V355-K357 PolarHBondContact O-N 3.31Å; K357-N405 PolarHBondContact NZ-ND2 2.83Å; K357-N405 PolarHBondContact NZ-OD1 3.19Å
358P89.8Confident86Confident67 Ų6784.8 Ų84.844%0.43544%0.443SS..PPolyproline II helixtrans-55.7145.2-179.9-21.429.7000112.7R341 S342R341-P358 WeakPolarHBondContact CA-O 3.3Å; R341-P358 WeakPolarHBondContact CD-O 3.22Å; S342-P358 PolarHBondContact N-O 2.87Å
359P91.7Very high86.8Confident66 Ų6685 Ų8543%0.42943%0.434SS..BIsolated β-bridgetrans-65157.5178.427.4-34.2000111.6R341 S342R341-P359 WeakPolarHBondContact CD-O 3.05Å; R341-P359 PolarHBondContact NH1-O 2.9Å; S342-P359 CarbonylContact O-C 3.53Å; S342-P359 VanDerWaalsContact O-CA 3.23Å; S342-P359 WeakPolarHBondContact O-CA 3.22Å
360L91.9Very high87.5Confident5 Ų578.9 Ų78.93%0.02641%0.409CS..PPolyproline II helixtrans-67.2148167.5-69.1177.3000110W333 L338 R341 S342 V343 P362 I397 I401W333-L360 HydrophobicContact CD2-CD2 4.26Å; W333-L360 HydrophobicContact CG-CD2 4.33Å; W333-L360 HydrophobicContact CH2-CD1 4.41Å; W333-L360 HydrophobicContact CZ2-CB 4.08Å; W333-L360 HydrophobicContact CZ2-CD1 4.24Å; W333-L360 HydrophobicContact CZ2-CD2 4.43Å; W333-L360 HydrophobicContact CZ2-CG 4.49Å; L338-L360 HydrophobicContact CD2-CD1 4.46Å; L338-L360 HydrophobicContact CD2-CD2 3.91Å; R341-L360 HydrophobicContact CB-CD2 3.67Å; R341-L360 HydrophobicContact CB-CG 4.46Å; R341-L360 HydrophobicContact CG-CD2 4.22Å; S342-L360 PolarHBondContact O-N 3.32Å; V343-L360 HydrophobicContact CG2-CD1 4.1Å; L360-P362 VanDerWaalsContact O-CD 3.31Å; L360-P362 WeakPolarHBondContact O-CD 3.33Å; L360-I397 HydrophobicContact CD1-CG2 3.57Å; L360-I401 HydrophobicContact CD1-CD1 4.3Å
361S91Very high88.1Confident32 Ų3269.5 Ų69.522%0.22437%0.368CS..PPolyproline II helixtrans-57.9118.7177.7-54.50000111H363 K364 L365S361-H363 VanDerWaalsContact C-N 3.34Å; S361-H363 VanDerWaalsContact CB-CE1 3.49Å; S361-H363 WeakPolarHBondContact CB-CE1 3.49Å; S361-H363 PolarHBondContact O-N 2.9Å; S361-K364 PolarHBondContact O-N 2.86Å; S361-L365 PolarHBondContact O-N 2.99Å
362P90.7Very high88.9Confident104 Ų10462.7 Ų62.768%0.67534%0.339SS*.Hα-helixtrans-59.9-38.4-174.4-27.535.5000114.2L360 L365 S366L360-P362 VanDerWaalsContact O-CD 3.31Å; L360-P362 WeakPolarHBondContact O-CD 3.33Å; P362-L365 WeakPolarHBondContact O-CB 3.33Å; P362-L365 PolarHBondContact O-N 2.9Å; P362-S366 PolarHBondContact O-N 2.94Å
363H91.2Very high89.9Confident93 Ų9358.3 Ų58.343%0.43132%0.317SS..Hα-helixtrans-63.9-46.3177.363.6-77.1000112S361 L365 S366 I367S361-H363 VanDerWaalsContact C-N 3.34Å; S361-H363 VanDerWaalsContact CB-CE1 3.49Å; S361-H363 WeakPolarHBondContact CB-CE1 3.49Å; S361-H363 PolarHBondContact O-N 2.9Å; H363-L365 PolarHBondContact O-N 2.76Å; H363-S366 VanDerWaalsContact O-CB 3.25Å; H363-S366 WeakPolarHBondContact O-CB 3.44Å; H363-S366 PolarHBondContact O-N 3.2Å; H363-I367 PolarHBondContact O-N 3.03Å; H363-I367 VanDerWaalsContact O-N 3.15Å
364K93.1Very high90.7Very high54 Ų5452.3 Ų52.324%0.23529%0.285CS..Hα-helixtrans-60.2-35173.5-58.1-159.6164.8-167.20112I305 I332 W333 S361 I367 V368I305-K364 HydrophobicContact CD1-CB 4Å; I305-K364 HydrophobicContact CD1-CD 3.96Å; I305-K364 HydrophobicContact CD1-CG 3.59Å; I332-K364 HydrophobicContact CG2-CB 3.9Å; I332-K364 HydrophobicContact CG2-CD 3.85Å; I332-K364 HydrophobicContact CG2-CG 4.3Å; I332-K364 PolarHBondContact O-NZ 2.86Å; W333-K364 HydrophobicContact CH2-CB 3.99Å; W333-K364 HydrophobicContact CZ2-CB 3.3Å; W333-K364 HydrophobicContact CZ2-CD 4.48Å; W333-K364 HydrophobicContact CZ2-CG 4.45Å; S361-K364 PolarHBondContact O-N 2.86Å; K364-I367 PolarHBondContact O-N 3.28Å; K364-V368 PolarHBondContact O-N 3.27Å
365L93.8Very high91.5Very high15 Ų1551.7 Ų51.78%0.07928%0.277CS..Hα-helixtrans-70.3-32.3175.3-167.169000112.5W333 S361 P362 H363 V368 R369 I397W333-L365 HydrophobicContact CH2-CB 4.45Å; W333-L365 HydrophobicContact CH2-CD1 4.25Å; S361-L365 PolarHBondContact O-N 2.99Å; P362-L365 WeakPolarHBondContact O-CB 3.33Å; P362-L365 PolarHBondContact O-N 2.9Å; H363-L365 PolarHBondContact O-N 2.76Å; L365-V368 PolarHBondContact O-N 3.45Å; L365-R369 PolarHBondContact O-N 2.98Å; L365-I397 HydrophobicContact CD1-CD1 3.36Å
366S93.3Very high92.3Very high48 Ų4845.6 Ų45.634%0.33624%0.24SC..Hα-helixtrans-60.6-48170.6-160.40000110.6P362 H363 V368 R369 E370P362-S366 PolarHBondContact O-N 2.94Å; H363-S366 VanDerWaalsContact O-CB 3.25Å; H363-S366 WeakPolarHBondContact O-CB 3.44Å; H363-S366 PolarHBondContact O-N 3.2Å; S366-V368 VanDerWaalsContact C-N 3.31Å; S366-V368 PolarHBondContact O-N 3.47Å; S366-R369 CarbonylContact O-C 3.33Å; S366-R369 WeakPolarHBondContact O-CA 3.27Å; S366-R369 WeakPolarHBondContact O-CB 3.38Å; S366-R369 PolarHBondContact O-N 3.39Å; S366-E370 WeakPolarHBondContact O-CG 3.41Å; S366-E370 PolarHBondContact O-N 3.07Å; S366-E370 PolarHBondContact OG-OE1 2.97Å
367I93.4Very high92.8Very high0 Ų043.8 Ų43.80%023%0.232CC..Hα-helixtrans-57.4-43.2178.5-68.8162.4000111.6L301 G302 I305 I332 H363 K364 R369 E370 C371L301-I367 HydrophobicContact CB-CG2 3.72Å; L301-I367 WeakPolarHBondContact O-CG2 3.33Å; G302-I367 WeakPolarHBondContact O-CD1 3.49Å; I305-I367 HydrophobicContact CB-CD1 4.46Å; I305-I367 HydrophobicContact CD1-CD1 3.35Å; I305-I367 HydrophobicContact CG1-CD1 3.89Å; I332-I367 HydrophobicContact CD1-CG2 4Å; H363-I367 PolarHBondContact O-N 3.03Å; H363-I367 VanDerWaalsContact O-N 3.15Å; K364-I367 PolarHBondContact O-N 3.28Å; I367-R369 VanDerWaalsContact C-N 3.27Å; I367-R369 PolarHBondContact O-N 2.79Å; I367-E370 PolarHBondContact O-N 3.39Å; I367-C371 PolarHBondContact O-N 3.22Å; I367-C371 PolarHBondContact O-SG 3.3Å
368V95.5Very high92.9Very high0 Ų045.6 Ų45.60%024%0.241CC..Hα-helixtrans-58.6-40.6174.6176.60000112.1T325 L328 I332 W333 K364 L365 S366 L372 V393 I397T325-V368 HydrophobicContact CG2-CG1 3.84Å; L328-V368 HydrophobicContact CD2-CB 4.45Å; L328-V368 HydrophobicContact CD2-CG1 4.21Å; L328-V368 HydrophobicContact CD2-CG2 4.48Å; L328-V368 HydrophobicContact CG-CG2 4.43Å; I332-V368 HydrophobicContact CD1-CG2 3.61Å; W333-V368 HydrophobicContact CH2-CG2 3.66Å; W333-V368 HydrophobicContact CZ3-CG2 3.52Å; K364-V368 PolarHBondContact O-N 3.27Å; L365-V368 PolarHBondContact O-N 3.45Å; S366-V368 VanDerWaalsContact C-N 3.31Å; S366-V368 PolarHBondContact O-N 3.47Å; V368-L372 WeakPolarHBondContact O-CB 3.22Å; V368-L372 PolarHBondContact O-N 3.47Å; V368-L372 VanDerWaalsContact O-N 3.1Å; V368-V393 HydrophobicContact CG1-CG1 3.95Å; V368-I397 HydrophobicContact CG1-CD1 4.22Å
369R95.5Very high93Very high88 Ų8847.4 Ų47.433%0.33224%0.244SC..Hα-helixtrans-69.5-40.1178-69.7-170.6-176.995.14.9111.6L365 S366 I367 L372 Y373 L390 V393 N394L365-R369 PolarHBondContact O-N 2.98Å; S366-R369 CarbonylContact O-C 3.33Å; S366-R369 WeakPolarHBondContact O-CA 3.27Å; S366-R369 WeakPolarHBondContact O-CB 3.38Å; S366-R369 PolarHBondContact O-N 3.39Å; I367-R369 VanDerWaalsContact C-N 3.27Å; I367-R369 PolarHBondContact O-N 2.79Å; R369-L372 PolarHBondContact O-N 3.42Å; R369-Y373 VanDerWaalsContact O-CB 3.26Å; R369-Y373 WeakPolarHBondContact O-CB 3.37Å; R369-Y373 PolarHBondContact O-N 3.32Å; R369-L390 WeakPolarHBondContact O-CD2 3.13Å; R369-V393 HydrophobicContact CG-CG1 4.15Å; R369-V393 HydrophobicContact CG-CG2 4.4Å; R369-N394 PolarHBondContact NH2-OD1 3.33Å
370E94.4Very high92.9Very high83 Ų8345.4 Ų45.439%0.38823%0.231SC..Hα-helixtrans-65-48.1177.7-71.8165.3-141.600111.3S366 I367 L372 Y373 D374S366-E370 WeakPolarHBondContact O-CG 3.41Å; S366-E370 PolarHBondContact O-N 3.07Å; S366-E370 PolarHBondContact OG-OE1 2.97Å; I367-E370 PolarHBondContact O-N 3.39Å; E370-L372 VanDerWaalsContact C-N 3.33Å; E370-L372 PolarHBondContact O-N 3.22Å; E370-Y373 WeakPolarHBondContact O-CB 3.42Å; E370-Y373 PolarHBondContact O-N 2.91Å; E370-Y373 VanDerWaalsContact O-N 3.17Å; E370-D374 VanDerWaalsContact O-CG 3.25Å; E370-D374 PolarHBondContact O-N 3.24Å
371C94.2Very high92.8Very high1 Ų151.7 Ų51.71%0.00727%0.269CS..Hα-helixtrans-61.9-40.2176.2-650000112.3Y292 W312 L328 I367 R375Y292-C371 PolarHBondContact OH-SG 3.29Å; W312-C371 HydrophobicContact CH2-CB 4.49Å; L328-C371 HydrophobicContact CD2-CB 3.59Å; I367-C371 PolarHBondContact O-N 3.22Å; I367-C371 PolarHBondContact O-SG 3.3Å; C371-R375 PolarHBondContact O-N 3.46Å
372L95.5Very high92.9Very high0 Ų053.8 Ų53.80%028%0.277CS..Hα-helixtrans-69.2-38.1175.7-176.264.5000111.4D321 Y324 V368 R369 E370 R375 I376 L390 V393D321-L372 HydrophobicContact CB-CD1 4.13Å; Y324-L372 HydrophobicContact CD1-CD1 3.89Å; Y324-L372 HydrophobicContact CE1-CD1 4.36Å; V368-L372 WeakPolarHBondContact O-CB 3.22Å; V368-L372 PolarHBondContact O-N 3.47Å; V368-L372 VanDerWaalsContact O-N 3.1Å; R369-L372 PolarHBondContact O-N 3.42Å; E370-L372 VanDerWaalsContact C-N 3.33Å; E370-L372 PolarHBondContact O-N 3.22Å; L372-R375 PolarHBondContact O-N 2.91Å; L372-I376 HydrophobicContact CD1-CD1 4.1Å; L372-I376 HydrophobicContact CD1-CG1 4.21Å; L372-I376 HydrophobicContact CD2-CD1 4.22Å; L372-I376 HydrophobicContact CG-CD1 3.69Å; L372-I376 HydrophobicContact CG-CG1 4.27Å; L372-I376 WeakPolarHBondContact O-CD1 3.38Å; L372-I376 WeakPolarHBondContact O-CG1 3.2Å; L372-I376 PolarHBondContact O-N 2.84Å; L372-L390 HydrophobicContact CB-CD2 4.11Å; L372-L390 HydrophobicContact CD2-CD2 4.05Å; L372-L390 HydrophobicContact CG-CD2 4.09Å; L372-V393 HydrophobicContact CD2-CG2 3.37Å
373Y95.5Very high93Very high114 Ų11455.9 Ų55.945%0.44728%0.278SS..Hα-helixtrans-58.5-50.9174.5173.1-83.3000110.4R369 E370 R375 I376 A377 I386 L390R369-Y373 VanDerWaalsContact O-CB 3.26Å; R369-Y373 WeakPolarHBondContact O-CB 3.37Å; R369-Y373 PolarHBondContact O-N 3.32Å; E370-Y373 WeakPolarHBondContact O-CB 3.42Å; E370-Y373 PolarHBondContact O-N 2.91Å; E370-Y373 VanDerWaalsContact O-N 3.17Å; Y373-R375 PolarHBondContact O-N 2.99Å; Y373-I376 PolarHBondContact O-N 3.48Å; Y373-I376 VanDerWaalsContact O-N 3.13Å; Y373-A377 HydrophobicContact CE1-CB 4.2Å; Y373-A377 VanDerWaalsContact O-CB 3.28Å; Y373-A377 WeakPolarHBondContact O-CB 3.4Å; Y373-A377 PolarHBondContact O-N 3.28Å; Y373-I386 HydrophobicContact CD2-CG2 3.66Å; Y373-I386 HydrophobicContact CE2-CG2 3.81Å; Y373-L390 HydrophobicContact CD2-CD1 3.88Å
374D92.5Very high93.2Very high20 Ų2055.5 Ų55.511%0.10728%0.283CS..Hα-helixtrans-57.5-41.2-178.8-66.5-22.8000111.1K291 Y292 E370 Q378K291-D374 WeakPolarHBondContact CD-OD2 3.11Å; K291-D374 IonicContact NZ-OD1 2.73Å; K291-D374 PolarHBondContact NZ-OD1 3.31Å; K291-D374 IonicContact NZ-OD2 2.8Å; K291-D374 PolarHBondContact NZ-OD2 3.15Å; Y292-D374 PolarHBondContact OH-OD2 3.38Å; E370-D374 VanDerWaalsContact O-CG 3.25Å; E370-D374 PolarHBondContact O-N 3.24Å; D374-Q378 WeakPolarHBondContact O-CG 3.32Å; D374-Q378 PolarHBondContact O-N 3.04Å
375R92.4Very high93.3Very high15 Ų1556.4 Ų56.46%0.05729%0.288CS..Hα-helixtrans-65.1-48176.2179.9-176.7169.6144.36.8112.6T318 Y324 C371 L372 Y373 A377 Q378 E379T318-R375 PolarHBondContact O-NH1 2.91Å; T318-R375 PolarHBondContact O-NH2 3.44Å; Y324-R375 VanDerWaalsContact CB-NH1 3.28Å; C371-R375 PolarHBondContact O-N 3.46Å; L372-R375 PolarHBondContact O-N 2.91Å; Y373-R375 PolarHBondContact O-N 2.99Å; R375-A377 VanDerWaalsContact C-N 3.28Å; R375-A377 PolarHBondContact O-N 3.39Å; R375-Q378 WeakPolarHBondContact O-CB 3.13Å; R375-Q378 PolarHBondContact O-N 3.03Å; R375-E379 IonicContact NE-OE1 2.66Å
376I94.1Very high93.4Very high0 Ų056.3 Ų56.30%029%0.287CS..Hα-helixtrans-66.1-37.2-179.1-60.2160.1000110.1L372 Y373 Q378 E379 T380 I386 R389 L390L372-I376 HydrophobicContact CD1-CD1 4.1Å; L372-I376 HydrophobicContact CD1-CG1 4.21Å; L372-I376 HydrophobicContact CD2-CD1 4.22Å; L372-I376 HydrophobicContact CG-CD1 3.69Å; L372-I376 HydrophobicContact CG-CG1 4.27Å; L372-I376 WeakPolarHBondContact O-CD1 3.38Å; L372-I376 WeakPolarHBondContact O-CG1 3.2Å; L372-I376 PolarHBondContact O-N 2.84Å; Y373-I376 PolarHBondContact O-N 3.48Å; Y373-I376 VanDerWaalsContact O-N 3.13Å; I376-Q378 PolarHBondContact O-N 3.45Å; I376-E379 WeakPolarHBondContact O-CA 3.46Å; I376-E379 WeakPolarHBondContact O-CB 3.48Å; I376-E379 PolarHBondContact O-N 3.32Å; I376-T380 HydrophobicContact CG2-CG2 3.68Å; I376-T380 PolarHBondContact O-N 3.26Å; I376-I386 HydrophobicContact CG2-CB 4.36Å; I376-I386 HydrophobicContact CG2-CG1 3.72Å; I376-R389 HydrophobicContact CD1-CB 3.55Å; I376-R389 HydrophobicContact CG1-CB 4.41Å; I376-L390 HydrophobicContact CD1-CD2 4.32Å; I376-L390 HydrophobicContact CD1-CG 4.2Å
377A92.5Very high93.5Very high41 Ų4156.8 Ų56.834%0.33929%0.294SS..Hα-helixtrans-63.7-20.4177.400000113.4Y373 R375 T380Y373-A377 HydrophobicContact CE1-CB 4.2Å; Y373-A377 VanDerWaalsContact O-CB 3.28Å; Y373-A377 WeakPolarHBondContact O-CB 3.4Å; Y373-A377 PolarHBondContact O-N 3.28Å; R375-A377 VanDerWaalsContact C-N 3.28Å; R375-A377 PolarHBondContact O-N 3.39Å; A377-T380 WeakPolarHBondContact CA-O 3.18Å
378Q89.5Confident93.6Very high112 Ų11262.7 Ų62.752%0.52332%0.322SS..Hα-helixtrans-76.9-26.7169.6-67.1166.81800112.6V288 D374 R375 I376V288-Q378 HydrophobicContact CG2-CG 3.98Å; V288-Q378 VanDerWaalsContact CG2-NE2 3.32Å; D374-Q378 WeakPolarHBondContact O-CG 3.32Å; D374-Q378 PolarHBondContact O-N 3.04Å; R375-Q378 WeakPolarHBondContact O-CB 3.13Å; R375-Q378 PolarHBondContact O-N 3.03Å; I376-Q378 PolarHBondContact O-N 3.45Å
379E90.6Very high93.7Very high104 Ų10464.2 Ų64.249%0.48633%0.328SS..Hα-helixtrans-90.9-34.4-177.5-63.7175.3-163.400112.2R375 I376 R389R375-E379 IonicContact NE-OE1 2.66Å; I376-E379 WeakPolarHBondContact O-CA 3.46Å; I376-E379 WeakPolarHBondContact O-CB 3.48Å; I376-E379 PolarHBondContact O-N 3.32Å; E379-R389 IonicContact OE1-NH2 2.75Å; E379-R389 IonicContact OE2-CZ 3.91Å; E379-R389 IonicContact OE2-NH1 2.77Å; E379-R389 PolarHBondContact OE2-NH1 3.44Å; E379-R389 IonicContact OE2-NH2 3.87Å; E379-R389 PolarHBondContact OE2-NH2 3.04Å
380T90.1Very high93.7Very high25 Ų2561.8 Ų61.815%0.15332%0.321CS..  trans-149.6148-174.5-175.70000111.6I376 A377 D382 E385 I386I376-T380 HydrophobicContact CG2-CG2 3.68Å; I376-T380 PolarHBondContact O-N 3.26Å; A377-T380 WeakPolarHBondContact CA-O 3.18Å; T380-D382 PolarHBondContact OG1-N 3.07Å; T380-E385 WeakPolarHBondContact CB-OE2 3.3Å; T380-E385 HydrophobicContact CG2-CB 4.36Å; T380-E385 HydrophobicContact CG2-CG 4.36Å; T380-E385 PolarHBondContact OG1-OE2 2.79Å; T380-I386 HydrophobicContact CG2-CG1 4.07Å
381V90.7Very high93.8Very high137 Ų13762.1 Ų62.183%0.8333%0.332SS*.  trans-99.6-3.9173.7-169.90000110.9E383V381-E383 PolarHBondContact O-N 3.44Å
382D93.4Very high93.9Very high75 Ų7566.3 Ų66.340%0.40135%0.351SS..  trans-73.2107.4179.6-176.3-6000111.3T380 T384 E385 I386T380-D382 PolarHBondContact OG1-N 3.07Å; D382-T384 VanDerWaalsContact CG-OG1 3.26Å; D382-T384 PolarHBondContact O-N 3.1Å; D382-T384 WeakPolarHBondContact OD1-CB 3.5Å; D382-T384 PolarHBondContact OD1-N 3.04Å; D382-T384 PolarHBondContact OD1-OG1 2.9Å; D382-T384 PolarHBondContact OD2-OG1 2.85Å; D382-E385 HydrophobicContact CB-CB 4Å; D382-E385 PolarHBondContact O-N 3.23Å; D382-E385 VanDerWaalsContact O-N 3.17Å; D382-I386 WeakPolarHBondContact O-CG1 3.5Å; D382-I386 PolarHBondContact O-N 2.73Å
383E92.9Very high94Very high148 Ų14866.3 Ų66.369%0.69235%0.351SS*.Hα-helixtrans-57.3-31.5178.1-65.1-173.4172.600112.9V381 A387V381-E383 PolarHBondContact O-N 3.44Å; E383-A387 WeakPolarHBondContact O-CB 3.45Å; E383-A387 PolarHBondContact O-N 3.03Å
384T94.6Very high94Very high86 Ų8663.8 Ų63.853%0.52835%0.345SS..Hα-helixtrans-72.1-40.2179.4710000111.5D382 A387 Q388D382-T384 VanDerWaalsContact CG-OG1 3.26Å; D382-T384 PolarHBondContact O-N 3.1Å; D382-T384 WeakPolarHBondContact OD1-CB 3.5Å; D382-T384 PolarHBondContact OD1-N 3.04Å; D382-T384 PolarHBondContact OD1-OG1 2.9Å; D382-T384 PolarHBondContact OD2-OG1 2.85Å; T384-A387 PolarHBondContact O-N 3.41Å; T384-Q388 WeakPolarHBondContact O-CB 3.32Å; T384-Q388 VanDerWaalsContact O-CG 3.25Å; T384-Q388 WeakPolarHBondContact O-CG 3.4Å; T384-Q388 PolarHBondContact O-N 3.38Å
385E94.7Very high94.2Very high72 Ų7268.8 Ų68.834%0.33637%0.366SS..Hα-helixtrans-65.9-44.7174.8-167-171159.900110.9T380 D382 A387 Q388 R389T380-E385 WeakPolarHBondContact CB-OE2 3.3Å; T380-E385 HydrophobicContact CG2-CB 4.36Å; T380-E385 HydrophobicContact CG2-CG 4.36Å; T380-E385 PolarHBondContact OG1-OE2 2.79Å; D382-E385 HydrophobicContact CB-CB 4Å; D382-E385 PolarHBondContact O-N 3.23Å; D382-E385 VanDerWaalsContact O-N 3.17Å; E385-A387 PolarHBondContact O-N 3.07Å; E385-Q388 PolarHBondContact O-N 3.44Å; E385-R389 WeakPolarHBondContact O-CG 3.41Å; E385-R389 PolarHBondContact O-N 2.78Å; E385-R389 IonicContact OE1-NH1 3.87Å
386I95.9Very high94.4Very high13 Ų1369.4 Ų69.47%0.06737%0.368CS..Hα-helixtrans-56.2-49.8176.1-67.2164.2000110.4Y373 I376 T380 D382 Q388 R389 L390Y373-I386 HydrophobicContact CD2-CG2 3.66Å; Y373-I386 HydrophobicContact CE2-CG2 3.81Å; I376-I386 HydrophobicContact CG2-CB 4.36Å; I376-I386 HydrophobicContact CG2-CG1 3.72Å; T380-I386 HydrophobicContact CG2-CG1 4.07Å; D382-I386 WeakPolarHBondContact O-CG1 3.5Å; D382-I386 PolarHBondContact O-N 2.73Å; I386-Q388 PolarHBondContact O-N 3.26Å; I386-R389 PolarHBondContact O-N 3.23Å; I386-L390 HydrophobicContact CG2-CD1 3.73Å; I386-L390 HydrophobicContact CG2-CG 4.37Å; I386-L390 WeakPolarHBondContact O-CB 3.35Å; I386-L390 WeakPolarHBondContact O-CG 3.47Å; I386-L390 PolarHBondContact O-N 3.3Å
387A95.9Very high94.5Very high59 Ų5969.4 Ų69.449%0.48837%0.368SS..Hα-helixtrans-62.2-42.4179.200000112.3E383 T384 E385 R389 L390 S391E383-A387 WeakPolarHBondContact O-CB 3.45Å; E383-A387 PolarHBondContact O-N 3.03Å; T384-A387 PolarHBondContact O-N 3.41Å; E385-A387 PolarHBondContact O-N 3.07Å; A387-R389 PolarHBondContact O-N 3.22Å; A387-L390 PolarHBondContact O-N 3.21Å; A387-S391 WeakPolarHBondContact O-CB 3.28Å; A387-S391 PolarHBondContact O-N 3.24Å
388Q96.1Very high94.7Very high123 Ų12370 Ų7058%0.57537%0.369SS*.Hα-helixtrans-62.7-41.9177.3-75.2177.222.400112.2T384 E385 I386 S391T384-Q388 WeakPolarHBondContact O-CB 3.32Å; T384-Q388 VanDerWaalsContact O-CG 3.25Å; T384-Q388 WeakPolarHBondContact O-CG 3.4Å; T384-Q388 PolarHBondContact O-N 3.38Å; E385-Q388 PolarHBondContact O-N 3.44Å; I386-Q388 PolarHBondContact O-N 3.26Å; Q388-S391 PolarHBondContact O-OG 3.32Å
389R96.3Very high95Very high33 Ų3367 Ų6713%0.12536%0.355CS..Hα-helixtrans-69.4-44.6178.1-71175.270.8172.2-4111.4D321 I376 E379 E385 I386 A387 S391 K392D321-R389 VanDerWaalsContact CG-NH2 3.33Å; D321-R389 IonicContact OD1-CZ 2.74Å; D321-R389 IonicContact OD1-NE 2.97Å; D321-R389 IonicContact OD1-NH2 3.44Å; D321-R389 PolarHBondContact OD1-NH2 3.21Å; D321-R389 IonicContact OD2-CZ 2.68Å; D321-R389 IonicContact OD2-NE 3.31Å; D321-R389 PolarHBondContact OD2-NE 3.44Å; D321-R389 IonicContact OD2-NH2 3.59Å; D321-R389 PolarHBondContact OD2-NH2 2.76Å; I376-R389 HydrophobicContact CD1-CB 3.55Å; I376-R389 HydrophobicContact CG1-CB 4.41Å; E379-R389 IonicContact OE1-NH2 2.75Å; E379-R389 IonicContact OE2-CZ 3.91Å; E379-R389 IonicContact OE2-NH1 2.77Å; E379-R389 PolarHBondContact OE2-NH1 3.44Å; E379-R389 IonicContact OE2-NH2 3.87Å; E379-R389 PolarHBondContact OE2-NH2 3.04Å; E385-R389 WeakPolarHBondContact O-CG 3.41Å; E385-R389 PolarHBondContact O-N 2.78Å; E385-R389 IonicContact OE1-NH1 3.87Å; I386-R389 PolarHBondContact O-N 3.23Å; A387-R389 PolarHBondContact O-N 3.22Å; R389-S391 VanDerWaalsContact C-N 3.3Å; R389-S391 PolarHBondContact O-N 3.42Å; R389-K392 WeakPolarHBondContact O-CB 3.4Å; R389-K392 PolarHBondContact O-N 2.74Å; R389-K392 VanDerWaalsContact O-N 3.16Å
390L96.9Very high95.3Very high36 Ų3664.3 Ų64.319%0.18834%0.342CS..Hα-helixtrans-62.7-32176.3-75.4173.7000113.7R369 L372 Y373 I376 I386 A387 K392 V393R369-L390 WeakPolarHBondContact O-CD2 3.13Å; L372-L390 HydrophobicContact CB-CD2 4.11Å; L372-L390 HydrophobicContact CD2-CD2 4.05Å; L372-L390 HydrophobicContact CG-CD2 4.09Å; Y373-L390 HydrophobicContact CD2-CD1 3.88Å; I376-L390 HydrophobicContact CD1-CD2 4.32Å; I376-L390 HydrophobicContact CD1-CG 4.2Å; I386-L390 HydrophobicContact CG2-CD1 3.73Å; I386-L390 HydrophobicContact CG2-CG 4.37Å; I386-L390 WeakPolarHBondContact O-CB 3.35Å; I386-L390 WeakPolarHBondContact O-CG 3.47Å; I386-L390 PolarHBondContact O-N 3.3Å; A387-L390 PolarHBondContact O-N 3.21Å; L390-K392 PolarHBondContact O-N 2.93Å; L390-V393 HydrophobicContact CD2-CG2 4.36Å; L390-V393 WeakPolarHBondContact O-CB 3.38Å; L390-V393 VanDerWaalsContact O-CG2 3.22Å; L390-V393 WeakPolarHBondContact O-CG2 3.39Å; L390-V393 PolarHBondContact O-N 2.97Å; L390-V393 VanDerWaalsContact O-N 3.1Å
391S96.3Very high95.5Very high90 Ų9063.7 Ų63.763%0.62934%0.338SS*.THydrogen-bonded Turntrans-57.8-23.8176.678.60000113.1A387 Q388 R389A387-S391 WeakPolarHBondContact O-CB 3.28Å; A387-S391 PolarHBondContact O-N 3.24Å; Q388-S391 PolarHBondContact O-OG 3.32Å; R389-S391 VanDerWaalsContact C-N 3.3Å; R389-S391 PolarHBondContact O-N 3.42Å
392K96.7Very high95.7Very high90 Ų9062.9 Ų62.939%0.39133%0.326SS..THydrogen-bonded Turntrans-85.2-6.9-177.9-59.2172.6-173.6167.40113.7R389 L390 N394 K395 Y396R389-K392 WeakPolarHBondContact O-CB 3.4Å; R389-K392 PolarHBondContact O-N 2.74Å; R389-K392 VanDerWaalsContact O-N 3.16Å; L390-K392 PolarHBondContact O-N 2.93Å; K392-N394 PolarHBondContact O-N 3.05Å; K392-K395 WeakPolarHBondContact O-CB 3.45Å; K392-K395 PolarHBondContact O-N 3.47Å; K392-Y396 HydrophobicContact CB-CD2 4.28Å; K392-Y396 HydrophobicContact CB-CE1 4.08Å; K392-Y396 HydrophobicContact CB-CE2 3.64Å; K392-Y396 WeakPolarHBondContact CD-OH 3.25Å; K392-Y396 WeakPolarHBondContact O-CD2 3.4Å; K392-Y396 PolarHBondContact O-N 2.88Å
393V97Very high95.8Very high0 Ų063.4 Ų63.40%033%0.329CS..Hα-helixtrans-53.7-50.6-178.3169.40000112.1T325 V368 R369 L372 L390 K395 Y396 I397T325-V393 HydrophobicContact CG2-CG1 4.19Å; V368-V393 HydrophobicContact CG1-CG1 3.95Å; R369-V393 HydrophobicContact CG-CG1 4.15Å; R369-V393 HydrophobicContact CG-CG2 4.4Å; L372-V393 HydrophobicContact CD2-CG2 3.37Å; L390-V393 HydrophobicContact CD2-CG2 4.36Å; L390-V393 WeakPolarHBondContact O-CB 3.38Å; L390-V393 VanDerWaalsContact O-CG2 3.22Å; L390-V393 WeakPolarHBondContact O-CG2 3.39Å; L390-V393 PolarHBondContact O-N 2.97Å; L390-V393 VanDerWaalsContact O-N 3.1Å; V393-K395 VanDerWaalsContact C-N 3.26Å; V393-K395 PolarHBondContact O-N 3.17Å; V393-Y396 PolarHBondContact O-N 3.18Å; V393-I397 HydrophobicContact CG1-CD1 3.74Å; V393-I397 HydrophobicContact CG1-CG1 4.47Å; V393-I397 WeakPolarHBondContact O-CG1 3.4Å; V393-I397 PolarHBondContact O-N 3.4Å
394N95.3Very high95.9Very high61 Ų6157.1 Ų57.133%0.32630%0.3SS..Hα-helixtrans-61.4-37.8-179.4-70.9-5.7000111.6V343 R369 K392 C398V343-N394 HydrophobicContact CG1-CB 4.12Å; R369-N394 PolarHBondContact NH2-OD1 3.33Å; K392-N394 PolarHBondContact O-N 3.05Å; N394-C398 WeakPolarHBondContact O-CB 3.46Å; N394-C398 PolarHBondContact O-N 2.91Å; N394-C398 PolarHBondContact O-SG 3.11Å
395K96.2Very high95.8Very high125 Ų12554.8 Ų54.854%0.54328%0.284SS..Hα-helixtrans-62.6-48.6176.2179.2-176174-177.90110.6K392 V393 I397 C398 E399K392-K395 WeakPolarHBondContact O-CB 3.45Å; K392-K395 PolarHBondContact O-N 3.47Å; V393-K395 VanDerWaalsContact C-N 3.26Å; V393-K395 PolarHBondContact O-N 3.17Å; K395-I397 PolarHBondContact O-N 3.03Å; K395-C398 WeakPolarHBondContact O-CB 3.27Å; K395-C398 PolarHBondContact O-N 3.48Å; K395-E399 WeakPolarHBondContact CE-OE1 3.23Å; K395-E399 WeakPolarHBondContact O-CG 3.11Å; K395-E399 PolarHBondContact O-N 2.91Å
396Y97.5Very high95.7Very high28 Ų2858.2 Ų58.211%0.1130%0.298CS..Hα-helixtrans-62.5-41-179.7-59.6-31.6000112.8D321 S322 T325 K326 K392 V393 E399 K400D321-Y396 HydrophobicContact CB-CE2 3.8Å; S322-Y396 WeakPolarHBondContact OG-CD1 3.42Å; T325-Y396 HydrophobicContact CG2-CD2 4.32Å; K326-Y396 WeakPolarHBondContact CE-O 3.4Å; K326-Y396 WeakPolarHBondContact CG-O 3.24Å; K392-Y396 HydrophobicContact CB-CD2 4.28Å; K392-Y396 HydrophobicContact CB-CE1 4.08Å; K392-Y396 HydrophobicContact CB-CE2 3.64Å; K392-Y396 WeakPolarHBondContact CD-OH 3.25Å; K392-Y396 WeakPolarHBondContact O-CD2 3.4Å; K392-Y396 PolarHBondContact O-N 2.88Å; V393-Y396 PolarHBondContact O-N 3.18Å; Y396-E399 PolarHBondContact O-N 3.31Å; Y396-K400 PolarHBondContact O-N 3.01Å
397I96.5Very high95.6Very high0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-68-43.3177.4-60.3169000110.7T325 A329 V343 L360 L365 V368 V393 K395 E399 K400 I401T325-I397 HydrophobicContact CG2-CG1 3.99Å; A329-I397 HydrophobicContact CB-CG1 4.38Å; V343-I397 HydrophobicContact CG2-CB 3.91Å; V343-I397 HydrophobicContact CG2-CG2 3.61Å; L360-I397 HydrophobicContact CD1-CG2 3.57Å; L365-I397 HydrophobicContact CD1-CD1 3.36Å; V368-I397 HydrophobicContact CG1-CD1 4.22Å; V393-I397 HydrophobicContact CG1-CD1 3.74Å; V393-I397 HydrophobicContact CG1-CG1 4.47Å; V393-I397 WeakPolarHBondContact O-CG1 3.4Å; V393-I397 PolarHBondContact O-N 3.4Å; K395-I397 PolarHBondContact O-N 3.03Å; I397-E399 VanDerWaalsContact C-N 3.33Å; I397-E399 PolarHBondContact O-N 3.21Å; I397-K400 PolarHBondContact O-N 3.46Å; I397-I401 HydrophobicContact CG2-CD1 4.02Å; I397-I401 HydrophobicContact CG2-CG1 4.47Å; I397-I401 WeakPolarHBondContact O-CG1 3.36Å; I397-I401 PolarHBondContact O-N 3Å
398C95.1Very high95.4Very high54 Ų5460 Ų6037%0.36531%0.308SS..Hα-helixtrans-56-47.1173.5-79.60000111.7V343 N394 K395 K400 I401 M402V343-C398 HydrophobicContact CG2-CB 4.43Å; V343-C398 WeakPolarHBondContact CG2-SG 3.28Å; N394-C398 WeakPolarHBondContact O-CB 3.46Å; N394-C398 PolarHBondContact O-N 2.91Å; N394-C398 PolarHBondContact O-SG 3.11Å; K395-C398 WeakPolarHBondContact O-CB 3.27Å; K395-C398 PolarHBondContact O-N 3.48Å; C398-K400 PolarHBondContact O-N 2.91Å; C398-I401 PolarHBondContact O-N 3.48Å; C398-M402 WeakPolarHBondContact O-CG 3.31Å; C398-M402 PolarHBondContact O-N 2.97Å
399E96.5Very high95.1Very high49 Ų4959.6 Ų59.623%0.22930%0.304CS..Hα-helixtrans-58.2-46.5175.2-73.7172.2-170.300111.8K326 K395 Y396 I397 I401 M402 D403K326-E399 WeakPolarHBondContact CE-OE2 3.41Å; K326-E399 IonicContact NZ-OE2 2.75Å; K326-E399 PolarHBondContact NZ-OE2 3.09Å; K395-E399 WeakPolarHBondContact CE-OE1 3.23Å; K395-E399 WeakPolarHBondContact O-CG 3.11Å; K395-E399 PolarHBondContact O-N 2.91Å; Y396-E399 PolarHBondContact O-N 3.31Å; I397-E399 VanDerWaalsContact C-N 3.33Å; I397-E399 PolarHBondContact O-N 3.21Å; E399-I401 VanDerWaalsContact C-N 3.35Å; E399-I401 PolarHBondContact O-N 3.44Å; E399-M402 HydrophobicContact CB-CE 4.43Å; E399-M402 HydrophobicContact CG-CE 4.11Å; E399-M402 WeakPolarHBondContact O-CB 3.41Å; E399-M402 PolarHBondContact O-N 2.88Å; E399-M402 VanDerWaalsContact O-N 3.11Å; E399-D403 VanDerWaalsContact O-CG 3.31Å; E399-D403 PolarHBondContact O-N 2.95Å
400K97Very high94.9Very high46 Ų4661.4 Ų61.420%0.232%0.316CS..Hα-helixtrans-60.8-42.6177.6-171.355.8164.8-164.50112.8K326 V330 Y396 I397 C398 M402 D403 I404K326-K400 HydrophobicContact CB-CB 4.21Å; K326-K400 HydrophobicContact CB-CD 4Å; K326-K400 HydrophobicContact CB-CG 4.19Å; K326-K400 HydrophobicContact CD-CB 4.37Å; K326-K400 HydrophobicContact CG-CB 3.92Å; K326-K400 HydrophobicContact CG-CD 4.43Å; K326-K400 HydrophobicContact CG-CG 4.44Å; V330-K400 HydrophobicContact CG2-CD 4.32Å; V330-K400 HydrophobicContact CG2-CG 4.23Å; Y396-K400 PolarHBondContact O-N 3.01Å; I397-K400 PolarHBondContact O-N 3.46Å; C398-K400 PolarHBondContact O-N 2.91Å; K400-M402 VanDerWaalsContact C-N 3.29Å; K400-M402 PolarHBondContact O-N 2.85Å; K400-D403 PolarHBondContact O-N 3.47Å; K400-I404 HydrophobicContact CD-CD1 4.34Å; K400-I404 HydrophobicContact CD-CG1 4.42Å; K400-I404 HydrophobicContact CG-CD1 3.96Å; K400-I404 HydrophobicContact CG-CG1 4.49Å; K400-I404 WeakPolarHBondContact O-CB 3.49Å; K400-I404 VanDerWaalsContact O-CG1 3.27Å; K400-I404 WeakPolarHBondContact O-CG1 3.4Å; K400-I404 PolarHBondContact O-N 3.47Å
401I95.2Very high94.5Very high13 Ų1363.5 Ų63.57%0.06733%0.325CS..Hα-helixtrans-61.8-41176.1-69.3170.5000109.9L338 V343 L360 I397 C398 E399 N405L338-I401 HydrophobicContact CB-CG1 4.3Å; L338-I401 HydrophobicContact CD2-CD1 4.35Å; L338-I401 HydrophobicContact CD2-CG1 4.16Å; V343-I401 HydrophobicContact CG2-CD1 4.13Å; L360-I401 HydrophobicContact CD1-CD1 4.3Å; I397-I401 HydrophobicContact CG2-CD1 4.02Å; I397-I401 HydrophobicContact CG2-CG1 4.47Å; I397-I401 WeakPolarHBondContact O-CG1 3.36Å; I397-I401 PolarHBondContact O-N 3Å; C398-I401 PolarHBondContact O-N 3.48Å; E399-I401 VanDerWaalsContact C-N 3.35Å; E399-I401 PolarHBondContact O-N 3.44Å; I401-N405 WeakPolarHBondContact CG2-ND2 3.36Å; I401-N405 WeakPolarHBondContact O-CB 3.3Å; I401-N405 PolarHBondContact O-N 2.94Å; I401-N405 PolarHBondContact O-ND2 3.3Å
402M93Very high94.1Very high119 Ų11965 Ų6559%0.58632%0.322SS*.Hα-helixtrans-63.5-44.5175.3-70.5-172.8-65.300112.1C398 E399 K400 N405 K406C398-M402 WeakPolarHBondContact O-CG 3.31Å; C398-M402 PolarHBondContact O-N 2.97Å; E399-M402 HydrophobicContact CB-CE 4.43Å; E399-M402 HydrophobicContact CG-CE 4.11Å; E399-M402 WeakPolarHBondContact O-CB 3.41Å; E399-M402 PolarHBondContact O-N 2.88Å; E399-M402 VanDerWaalsContact O-N 3.11Å; K400-M402 VanDerWaalsContact C-N 3.29Å; K400-M402 PolarHBondContact O-N 2.85Å; M402-N405 PolarHBondContact O-N 3.46Å; M402-K406 WeakPolarHBondContact O-CB 3.49Å; M402-K406 PolarHBondContact O-N 2.95Å
403D95.7Very high93.8Very high87 Ų8768.7 Ų68.747%0.46533%0.334SS..Hα-helixtrans-62-44.9178.1-67.5-25.9000111.5E399 K400 K406 S407E399-D403 VanDerWaalsContact O-CG 3.31Å; E399-D403 PolarHBondContact O-N 2.95Å; K400-D403 PolarHBondContact O-N 3.47Å; D403-K406 PolarHBondContact O-N 3.37Å; D403-S407 WeakPolarHBondContact O-CB 3.37Å; D403-S407 PolarHBondContact O-N 2.91Å
404I95Very high93.4Very high16 Ų1675 Ų758%0.08236%0.358CS..Hα-helixtrans-59.6-49.8175-69.7167.3000110.2V330 T335 L338 K339 K400 K406 S407 C408V330-I404 HydrophobicContact CG2-CD1 4.23Å; T335-I404 HydrophobicContact CG2-CD1 4.42Å; L338-I404 HydrophobicContact CB-CD1 3.78Å; L338-I404 HydrophobicContact CD1-CD1 3.76Å; L338-I404 HydrophobicContact CG-CD1 4.45Å; K339-I404 HydrophobicContact CB-CG2 3.74Å; K400-I404 HydrophobicContact CD-CD1 4.34Å; K400-I404 HydrophobicContact CD-CG1 4.42Å; K400-I404 HydrophobicContact CG-CD1 3.96Å; K400-I404 HydrophobicContact CG-CG1 4.49Å; K400-I404 WeakPolarHBondContact O-CB 3.49Å; K400-I404 VanDerWaalsContact O-CG1 3.27Å; K400-I404 WeakPolarHBondContact O-CG1 3.4Å; K400-I404 PolarHBondContact O-N 3.47Å; I404-K406 VanDerWaalsContact C-N 3.27Å; I404-K406 PolarHBondContact O-N 3.27Å; I404-S407 PolarHBondContact O-N 2.99Å; I404-S407 VanDerWaalsContact O-N 3.13Å; I404-C408 PolarHBondContact O-N 3.35Å; I404-C408 PolarHBondContact O-SG 3.49Å
405N92.8Very high93Very high37 Ų3777.1 Ų77.120%0.19837%0.365CS..Hα-helixtrans-62-34.3178.9-78.6-65.1000112.7K339 K357 I401 M402 K409K339-N405 PolarHBondContact O-OD1 2.86Å; K339-N405 VanDerWaalsContact O-OD1 3.07Å; K357-N405 PolarHBondContact NZ-ND2 2.83Å; K357-N405 PolarHBondContact NZ-OD1 3.19Å; I401-N405 WeakPolarHBondContact CG2-ND2 3.36Å; I401-N405 WeakPolarHBondContact O-CB 3.3Å; I401-N405 PolarHBondContact O-N 2.94Å; I401-N405 PolarHBondContact O-ND2 3.3Å; M402-N405 PolarHBondContact O-N 3.46Å; N405-K409 WeakPolarHBondContact O-CG 3.45Å; N405-K409 PolarHBondContact O-N 3.29Å
406K94Very high92.6Very high143 Ų14373.5 Ų73.562%0.62236%0.359SS*.Hα-helixtrans-69.2-41.9174.8-173.1179.8178.6-1760110.9M402 D403 I404 N410M402-K406 WeakPolarHBondContact O-CB 3.49Å; M402-K406 PolarHBondContact O-N 2.95Å; D403-K406 PolarHBondContact O-N 3.37Å; I404-K406 VanDerWaalsContact C-N 3.27Å; I404-K406 PolarHBondContact O-N 3.27Å; K406-N410 VanDerWaalsContact O-CG 3.31Å; K406-N410 PolarHBondContact O-N 2.94Å; K406-N410 VanDerWaalsContact O-N 3.15Å
407S93.1Very high92Very high73 Ų7379.9 Ų79.951%0.5139%0.387SS..Hα-helixtrans-64.7-47177.3-162.20000111.9D403 I404 K409 N410 E411D403-S407 WeakPolarHBondContact O-CB 3.37Å; D403-S407 PolarHBondContact O-N 2.91Å; I404-S407 PolarHBondContact O-N 2.99Å; I404-S407 VanDerWaalsContact O-N 3.13Å; S407-K409 PolarHBondContact O-N 3.03Å; S407-N410 WeakPolarHBondContact O-CB 3.48Å; S407-N410 PolarHBondContact O-N 3.49Å; S407-N410 VanDerWaalsContact O-N 3.09Å; S407-E411 PolarHBondContact O-N 3.23Å
408C90.5Very high91.3Very high38 Ų3887.9 Ų87.926%0.25742%0.419SS..Hα-helixtrans-58.7-45.4178.2-65.60000111.9I404 N410 E411 E412I404-C408 PolarHBondContact O-N 3.35Å; I404-C408 PolarHBondContact O-SG 3.49Å; C408-N410 VanDerWaalsContact C-N 3.26Å; C408-N410 PolarHBondContact O-N 3.44Å; C408-E411 WeakPolarHBondContact O-CB 3.43Å; C408-E411 PolarHBondContact O-N 3.43Å; C408-E411 VanDerWaalsContact O-N 3.13Å; C408-E412 WeakPolarHBondContact O-CG 3.5Å; C408-E412 PolarHBondContact O-N 3.24Å
409K90.5Very high90.4Very high113 Ų11391.4 Ų91.449%0.49143%0.434SS..Hα-helixtrans-62.9-32.6176.1-73.2176.2-178.8-177.40113.5N405 S407 R413N405-K409 WeakPolarHBondContact O-CG 3.45Å; N405-K409 PolarHBondContact O-N 3.29Å; S407-K409 PolarHBondContact O-N 3.03Å; K409-R413 WeakPolarHBondContact O-CD 3.36Å; K409-R413 VanDerWaalsContact O-CG 3.22Å; K409-R413 WeakPolarHBondContact O-CG 3.36Å; K409-R413 PolarHBondContact O-N 3.22Å
410N91.2Very high89.3Confident72 Ų7296.5 Ų96.539%0.38546%0.462SS..Hα-helixtrans-73.4-36.1176-75.5-6.1000111.1K406 S407 C408 R414K406-N410 VanDerWaalsContact O-CG 3.31Å; K406-N410 PolarHBondContact O-N 2.94Å; K406-N410 VanDerWaalsContact O-N 3.15Å; S407-N410 WeakPolarHBondContact O-CB 3.48Å; S407-N410 PolarHBondContact O-N 3.49Å; S407-N410 VanDerWaalsContact O-N 3.09Å; C408-N410 VanDerWaalsContact C-N 3.26Å; C408-N410 PolarHBondContact O-N 3.44Å; N410-R414 PolarHBondContact O-N 2.87Å
411E89.5Confident87.2Confident80 Ų80104.7 Ų104.737%0.37450%0.501SS..Hα-helixtrans-63.5-52.2174.1-16062-123.800111.5S407 C408 R413 R414 E415S407-E411 PolarHBondContact O-N 3.23Å; C408-E411 WeakPolarHBondContact O-CB 3.43Å; C408-E411 PolarHBondContact O-N 3.43Å; C408-E411 VanDerWaalsContact O-N 3.13Å; E411-R413 PolarHBondContact O-N 3.2Å; E411-R413 VanDerWaalsContact O-N 3.16Å; E411-R414 WeakPolarHBondContact O-CA 3.3Å; E411-R414 WeakPolarHBondContact O-CB 3.49Å; E411-R414 PolarHBondContact O-N 3.29Å; E411-R414 IonicContact OE1-CZ 3.78Å; E411-R414 IonicContact OE1-NH1 3.8Å; E411-R414 PolarHBondContact OE1-NH1 2.9Å; E411-R414 IonicContact OE2-CZ 3.99Å; E411-R414 IonicContact OE2-NH1 3.69Å; E411-R414 PolarHBondContact OE2-NH1 3.27Å; E411-R414 IonicContact OE2-NH2 3.09Å; E411-E415 PolarHBondContact O-N 3Å
412E88.2Confident86.8Confident120 Ų120109.3 Ų109.356%0.56152%0.522SS*.Hα-helixtrans-54.6-38.5176.8-70.9164.4-17200112.1C408 A416C408-E412 WeakPolarHBondContact O-CG 3.5Å; C408-E412 PolarHBondContact O-N 3.24Å; E412-A416 VanDerWaalsContact O-CB 3.22Å; E412-A416 WeakPolarHBondContact O-CB 3.41Å; E412-A416 PolarHBondContact O-N 3.45Å
413R89.8Confident86.5Confident169 Ų169108.7 Ų108.764%0.63852%0.519SS*.Hα-helixtrans-70.2-29.8176-75.1172-177.7-172.8-2.5113.3K409 E411 K417K409-R413 WeakPolarHBondContact O-CD 3.36Å; K409-R413 VanDerWaalsContact O-CG 3.22Å; K409-R413 WeakPolarHBondContact O-CG 3.36Å; K409-R413 PolarHBondContact O-N 3.22Å; E411-R413 PolarHBondContact O-N 3.2Å; E411-R413 VanDerWaalsContact O-N 3.16Å; R413-K417 VanDerWaalsContact O-CG 3.3Å; R413-K417 WeakPolarHBondContact O-CG 3.46Å; R413-K417 PolarHBondContact O-N 3.4Å
414R89.2Confident86Confident133 Ų133109.9 Ų109.950%0.50252%0.522SS..Hα-helixtrans-77.1-45.8177.8-167.2-174.9-54.994.7-3.1110.1N410 E411 A416 K417 Y418N410-R414 PolarHBondContact O-N 2.87Å; E411-R414 WeakPolarHBondContact O-CA 3.3Å; E411-R414 WeakPolarHBondContact O-CB 3.49Å; E411-R414 PolarHBondContact O-N 3.29Å; E411-R414 IonicContact OE1-CZ 3.78Å; E411-R414 IonicContact OE1-NH1 3.8Å; E411-R414 PolarHBondContact OE1-NH1 2.9Å; E411-R414 IonicContact OE2-CZ 3.99Å; E411-R414 IonicContact OE2-NH1 3.69Å; E411-R414 PolarHBondContact OE2-NH1 3.27Å; E411-R414 IonicContact OE2-NH2 3.09Å; R414-A416 VanDerWaalsContact C-N 3.33Å; R414-A416 PolarHBondContact O-N 2.96Å; R414-K417 WeakPolarHBondContact O-CB 3.31Å; R414-K417 PolarHBondContact O-N 3.38Å; R414-K417 VanDerWaalsContact O-N 3.12Å; R414-Y418 PolarHBondContact O-N 3.44Å
415E86.6Confident85.5Confident104 Ų104115.5 Ų115.549%0.48655%0.548SS..Hα-helixtrans-59.9-42.7174.1-68.1176.4177.500111.3E411 K417 Y418 N419E411-E415 PolarHBondContact O-N 3Å; E415-K417 VanDerWaalsContact C-N 3.28Å; E415-K417 PolarHBondContact O-N 3.44Å; E415-Y418 PolarHBondContact O-N 2.99Å; E415-N419 WeakPolarHBondContact O-CB 3.42Å; E415-N419 VanDerWaalsContact O-CG 3.26Å; E415-N419 PolarHBondContact O-N 3.34Å; E415-N419 PolarHBondContact O-ND2 3.45Å
416A87.2Confident85Confident49 Ų49120.4 Ų120.441%0.40557%0.57SS.*Hα-helixtrans-62-33.8175.100000113.1E412 R414 L420E412-A416 VanDerWaalsContact O-CB 3.22Å; E412-A416 WeakPolarHBondContact O-CB 3.41Å; E412-A416 PolarHBondContact O-N 3.45Å; R414-A416 VanDerWaalsContact C-N 3.33Å; R414-A416 PolarHBondContact O-N 2.96Å; A416-L420 WeakPolarHBondContact O-CD1 3.22Å; A416-L420 PolarHBondContact O-N 2.86Å
417K86.2Confident84.4Confident162 Ų162118.9 Ų118.970%0.70457%0.566SS**Hα-helixtrans-72.6-37.9175.3-75.2175.7178.5-168.20112.1R413 R414 E415 L420R413-K417 VanDerWaalsContact O-CG 3.3Å; R413-K417 WeakPolarHBondContact O-CG 3.46Å; R413-K417 PolarHBondContact O-N 3.4Å; R414-K417 WeakPolarHBondContact O-CB 3.31Å; R414-K417 PolarHBondContact O-N 3.38Å; R414-K417 VanDerWaalsContact O-N 3.12Å; E415-K417 VanDerWaalsContact C-N 3.28Å; E415-K417 PolarHBondContact O-N 3.44Å; K417-L420 PolarHBondContact O-N 2.83Å
418Y80.5Confident83.8Confident169 Ų169122.1 Ų122.166%0.66357%0.57SS**Hα-helixtrans-69.3-39178.1-169.6-96.4000111.6R414 E415 L420 Q421R414-Y418 PolarHBondContact O-N 3.44Å; E415-Y418 PolarHBondContact O-N 2.99Å; Y418-L420 PolarHBondContact O-N 3.23Å; Y418-Q421 PolarHBondContact O-N 3.37Å
419N77.5Confident83.3Confident128 Ų128128.6 Ų128.668%0.68459%0.594SS**THydrogen-bonded Turntrans-72.3-8.4177.4-67.8-25.7000114.2E415E415-N419 WeakPolarHBondContact O-CB 3.42Å; E415-N419 VanDerWaalsContact O-CG 3.26Å; E415-N419 PolarHBondContact O-N 3.34Å; E415-N419 PolarHBondContact O-ND2 3.45Å
420L73.1Confident82.7Confident156 Ų156129.9 Ų129.982%0.81760%0.603SS**THydrogen-bonded Turntrans-96.2-5.1173.2-98.399.4000113.1A416 K417 Y418A416-L420 WeakPolarHBondContact O-CD1 3.22Å; A416-L420 PolarHBondContact O-N 2.86Å; K417-L420 PolarHBondContact O-N 2.83Å; Y418-L420 PolarHBondContact O-N 3.23Å
421Q53.2Low81.9Confident217 Ų217135.2 Ų135.2100%1.01462%0.623SS**  trans-970169.1-72-177.8-42.600109.4Y418Y418-Q421 PolarHBondContact O-N 3.37Å

Retrieved 421 of 421 residues in 62.8 ms (Link to these results)

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