A0A077YYT6_TRITR Loading...

Eukaryotic translation initiation factor 2C 4

AlphaFold DB , UniProt , Accession A0A077YYT6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 786 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
1M75.6Confident86.6Confident63 Ų6328.5 Ų28.531%0.3115%0.145SC..  0117.50172.7172.416200106.7V3 L71 E105 L106 I108 L303M1-V3 PolarHBondContact O-N 3.29Å; M1-L71 HydrophobicContact CE-CB 4.19Å; M1-L71 HydrophobicContact CE-CD1 3.46Å; M1-L71 VanDerWaalsContact CE-CD1 3.46Å; M1-L71 HydrophobicContact CE-CD2 3.15Å; M1-L71 HydrophobicContact CE-CG 3.73Å; M1-E105 PolarHBondContact N-OE2 3.44Å; M1-L106 PolarHBondContact N-O 3.45Å; M1-L106 PolarHBondContact O-N 2.73Å; M1-I108 HydrophobicContact SD-CD1 3.94Å; M1-L303 HydrophobicContact CE-CD2 3.27Å; M1-L303 HydrophobicContact CE-CG 4.16Å; M1-L303 HydrophobicContact SD-CD2 3.59Å; M1-L303 VanDerWaalsContact SD-CD2 3.59Å
2T83.1Confident86Confident47 Ų4726.3 Ų26.329%0.28813%0.134SC..EExtended strand (participates in β ladder)trans-79.8120.9-174.7-40.70000110.5Y4 N103 F104 E105T2-Y4 HydrophobicContact CG2-CE1 4.45Å; T2-Y4 HydrophobicContact CG2-CE2 4.45Å; T2-N103 HydrophobicContact CG2-CB 3.82Å; T2-F104 CarbonylContact C-O 3.56Å; T2-F104 WeakPolarHBondContact CA-O 3.26Å; T2-E105 WeakPolarHBondContact CB-OE1 3.28Å; T2-E105 PolarHBondContact OG1-OE1 3.49Å
3V86.9Confident85.1Confident11 Ų1132.3 Ų32.37%0.06716%0.161CC..EExtended strand (participates in β ladder)trans-102.7114.3167.1178.50000107.6M1 H5 Y69 L71 N103 F104 L106M1-V3 PolarHBondContact O-N 3.29Å; V3-H5 PolarHBondContact O-N 3.36Å; V3-Y69 HydrophobicContact CG1-CD1 4.28Å; V3-L71 HydrophobicContact CG2-CD2 3.91Å; V3-N103 WeakPolarHBondContact O-CA 3.37Å; V3-F104 HydrophobicContact CB-CB 4.31Å; V3-F104 PolarHBondContact N-O 3.42Å; V3-F104 PolarHBondContact O-N 2.8Å; V3-L106 HydrophobicContact CG2-CD1 3.51Å; V3-L106 HydrophobicContact CG2-CG 4.22Å
4Y89.8Confident83.5Confident52 Ų5232.5 Ų32.520%0.20418%0.175CC..EExtended strand (participates in β ladder)trans-74.6128.3176.7-59.6-92.3000109.3T2 Y69 T70 E73 N103T2-Y4 HydrophobicContact CG2-CE1 4.45Å; T2-Y4 HydrophobicContact CG2-CE2 4.45Å; Y4-Y69 CarbonylContact O-C 3.57Å; Y4-Y69 WeakPolarHBondContact O-CA 3.41Å; Y4-T70 PolarHBondContact N-O 2.66Å; Y4-T70 PolarHBondContact O-N 2.75Å; Y4-E73 HydrophobicContact CD1-CB 3.91Å; Y4-E73 HydrophobicContact CD1-CG 3.87Å; Y4-E73 HydrophobicContact CD2-CB 4.35Å; Y4-E73 HydrophobicContact CE1-CB 3.62Å; Y4-E73 HydrophobicContact CE1-CG 3.78Å; Y4-E73 HydrophobicContact CE2-CB 4.12Å; Y4-E73 HydrophobicContact CG-CB 4.26Å; Y4-N103 WeakPolarHBondContact CA-OD1 3.22Å; Y4-N103 WeakPolarHBondContact CD1-ND2 3.42Å
5H90.9Very high81.1Confident22 Ų2243.1 Ų43.110%0.10222%0.219CC..EExtended strand (participates in β ladder)trans-109.3134.7-176.8178.9-150.8000109.9V3 N67 Y69 C101 S102 F104V3-H5 PolarHBondContact O-N 3.36Å; H5-N67 PolarHBondContact NE2-OD1 3.22Å; H5-Y69 AromaticContact CD2-CD1 3.95Å; H5-Y69 AromaticContact CD2-CE1 3.59Å; H5-C101 HydrophobicContact CB-CB 4.07Å; H5-C101 WeakPolarHBondContact ND1-CB 3.08Å; H5-C101 PolarHBondContact O-N 2.77Å; H5-S102 WeakPolarHBondContact CB-O 3.25Å; H5-F104 HydrophobicContact CB-CD2 3.94Å; H5-F104 HydrophobicContact CB-CE2 3.58Å; H5-F104 AromaticContact CG-CE2 3.52Å; H5-F104 AromaticContact ND1-CE2 3.55Å; H5-F104 AromaticContact ND1-CZ 3.87Å
6Y91.1Very high78.9Confident4 Ų452.1 Ų52.12%0.01626%0.257CS..EExtended strand (participates in β ladder)trans-131.6135.5174.8-55.6-95.4000110N67 I68 T70 L74 L76 V98 K99 P100Y6-N67 CarbonylContact O-C 3.51Å; Y6-N67 WeakPolarHBondContact O-CA 3.47Å; Y6-I68 PolarHBondContact N-O 3.22Å; Y6-I68 PolarHBondContact O-N 3.22Å; Y6-T70 HydrophobicContact CD2-CG2 3.96Å; Y6-T70 HydrophobicContact CE2-CG2 3.41Å; Y6-T70 VanDerWaalsContact CE2-CG2 3.41Å; Y6-L74 HydrophobicContact CD1-CD1 4.09Å; Y6-L74 HydrophobicContact CD2-CD1 3.77Å; Y6-L74 HydrophobicContact CD2-CG 4.37Å; Y6-L74 HydrophobicContact CE1-CB 4.18Å; Y6-L74 HydrophobicContact CE1-CD1 4.04Å; Y6-L74 HydrophobicContact CE1-CG 4.35Å; Y6-L74 HydrophobicContact CE2-CB 4.38Å; Y6-L74 HydrophobicContact CE2-CD1 3.71Å; Y6-L74 HydrophobicContact CE2-CG 3.8Å; Y6-L74 HydrophobicContact CG-CD1 3.97Å; Y6-L74 PolarHBondContact OH-N 3.33Å; Y6-L76 HydrophobicContact CD1-CD1 3.88Å; Y6-L76 HydrophobicContact CE1-CD1 3.59Å; Y6-L76 HydrophobicContact CE1-CG 4.38Å; Y6-V98 HydrophobicContact CD1-CG1 4.23Å; Y6-V98 HydrophobicContact CG-CG1 4.22Å; Y6-K99 CarbonylContact C-O 3.57Å; Y6-K99 WeakPolarHBondContact CA-O 3.4Å; Y6-K99 WeakPolarHBondContact CB-O 3.38Å; Y6-P100 VanDerWaalsContact CD1-CA 3.5Å; Y6-P100 HydrophobicContact CD1-CB 3.99Å; Y6-P100 HydrophobicContact CE1-CB 3.87Å
7N90.5Very high77.7Confident52 Ų5256.7 Ų56.728%0.27828%0.283SS..EExtended strand (participates in β ladder)trans-85.9139168.5-176-91000110.1A66 V98 K99 C101N7-A66 CarbonylContact C-O 3.57Å; N7-A66 WeakPolarHBondContact CA-O 3.36Å; N7-A66 PolarHBondContact ND2-O 3.35Å; N7-V98 CarbonylContact O-C 3.52Å; N7-V98 WeakPolarHBondContact O-CA 3.43Å; N7-K99 PolarHBondContact N-O 3.07Å; N7-K99 PolarHBondContact O-N 3.39Å; N7-C101 VanDerWaalsContact CB-SG 3.53Å
8I88.2Confident77.1Confident0 Ų060.1 Ų60.10%030%0.296CS..EExtended strand (participates in β ladder)trans-102.7130.8167.9-54.5-172.5000108.5I10 T22 V40 L44 Y62 A66 I68 I96 T97 V98I8-I10 HydrophobicContact CG2-CD1 4.45Å; I8-I10 HydrophobicContact CG2-CG1 3.75Å; I8-T22 WeakPolarHBondContact O-CG2 3.32Å; I8-V40 HydrophobicContact CD1-CG1 4.04Å; I8-V40 HydrophobicContact CG2-CG1 4.37Å; I8-L44 HydrophobicContact CD1-CD1 4.06Å; I8-Y62 HydrophobicContact CD1-CD2 3.67Å; I8-Y62 HydrophobicContact CD1-CE2 3.4Å; I8-Y62 HydrophobicContact CG1-CE2 4.39Å; I8-A66 PolarHBondContact N-O 3.08Å; I8-I68 HydrophobicContact CD1-CD1 3.52Å; I8-I68 HydrophobicContact CD1-CG1 3.59Å; I8-I68 HydrophobicContact CG1-CD1 3.81Å; I8-I68 HydrophobicContact CG1-CG1 3.84Å; I8-I96 HydrophobicContact CG2-CG2 3.75Å; I8-T97 CarbonylContact C-O 3.51Å; I8-T97 VanDerWaalsContact CA-O 3.31Å; I8-T97 WeakPolarHBondContact CA-O 3.36Å; I8-V98 HydrophobicContact CG1-CG2 4.45Å
9S86.9Confident76.5Confident16 Ų1659.3 Ų59.311%0.11229%0.294CS..EExtended strand (participates in β ladder)trans-104.1141.3156.999.80000110.3T97S9-T97 PolarHBondContact N-O 3.13Å; S9-T97 PolarHBondContact O-N 3.24Å
10I84.1Confident76.3Confident2 Ų257.6 Ų57.61%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-124.6100.5-177.4-52.9168.8000107.2I8 V12 D20 V21 T22 L36 V40 L94I8-I10 HydrophobicContact CG2-CD1 4.45Å; I8-I10 HydrophobicContact CG2-CG1 3.75Å; I10-V12 HydrophobicContact CG2-CG2 4.42Å; I10-D20 PolarHBondContact N-OD1 3.36Å; I10-D20 CarbonylContact O-C 3.51Å; I10-D20 WeakPolarHBondContact O-CA 3.45Å; I10-V21 HydrophobicContact CB-CB 4.42Å; I10-V21 WeakPolarHBondContact O-CG2 3.46Å; I10-V21 PolarHBondContact O-N 2.94Å; I10-T22 HydrophobicContact CB-CG2 4.05Å; I10-T22 HydrophobicContact CD1-CG2 3.79Å; I10-T22 HydrophobicContact CG1-CG2 3.68Å; I10-L36 HydrophobicContact CG2-CD2 3.69Å; I10-V40 HydrophobicContact CD1-CG2 3.77Å; I10-V40 HydrophobicContact CG1-CG2 3.92Å; I10-V40 HydrophobicContact CG2-CG2 4Å; I10-L94 HydrophobicContact CG2-CD1 3.99Å; I10-L94 HydrophobicContact CG2-CD2 4.2Å; I10-L94 HydrophobicContact CG2-CG 4.09Å
11E85.5Confident76Confident45 Ų4555.3 Ų55.321%0.2128%0.276CS..EExtended strand (participates in β ladder)trans-94.5125.9176.6-70.5177.5-172.500109.9V19 D20 L94 T95E11-V19 WeakPolarHBondContact CA-O 3.49Å; E11-D20 HydrophobicContact CG-CB 4.43Å; E11-L94 CarbonylContact O-C 3.55Å; E11-L94 WeakPolarHBondContact O-CA 3.44Å; E11-T95 PolarHBondContact N-O 3.16Å; E11-T95 PolarHBondContact O-N 3.35Å
12V79.5Confident75.6Confident2 Ų254 Ų541%0.01227%0.271CS..EExtended strand (participates in β ladder)trans-117.9135172.8178.20000110.1I10 G14 V19 V21 F28 L36 T88 K92 L94I10-V12 HydrophobicContact CG2-CG2 4.42Å; V12-G14 PolarHBondContact O-N 3.04Å; V12-V19 PolarHBondContact N-O 3.38Å; V12-V19 PolarHBondContact O-N 2.93Å; V12-V19 VanDerWaalsContact O-N 3.1Å; V12-V21 HydrophobicContact CB-CG2 4.41Å; V12-V21 HydrophobicContact CG2-CG2 4.09Å; V12-F28 HydrophobicContact CB-CZ 4.23Å; V12-F28 HydrophobicContact CG1-CZ 4.42Å; V12-L36 HydrophobicContact CG2-CD2 3.33Å; V12-L36 HydrophobicContact CG2-CG 4.38Å; V12-T88 HydrophobicContact CG1-CG2 4.2Å; V12-T88 HydrophobicContact CG2-CG2 4.36Å; V12-K92 HydrophobicContact CG1-CB 4.28Å; V12-K92 HydrophobicContact CG1-CD 4.3Å; V12-L94 HydrophobicContact CG2-CB 4.26Å; V12-L94 HydrophobicContact CG2-CD1 3.63Å; V12-L94 HydrophobicContact CG2-CG 3.85Å
13E74.3Confident74.8Confident104 Ų10460 Ų6049%0.48629%0.293SS..EExtended strand (participates in β ladder)trans-66.8115.6172.5-93.2-173.5162.700111.2K18 A93E13-K18 HydrophobicContact CG-CG 4.06Å; E13-A93 HydrophobicContact CB-CB 4.46Å; E13-A93 PolarHBondContact N-O 3.28Å; E13-A93 VanDerWaalsContact N-O 3.16Å
14G62.9Low73.4Confident35 Ų3561.7 Ų61.736%0.36131%0.305SS..  trans-90.9177169.800000112.3V12 F16 D17V12-G14 PolarHBondContact O-N 3.04Å; G14-F16 PolarHBondContact O-N 2.71Å; G14-D17 WeakPolarHBondContact CA-O 3.46Å; G14-D17 PolarHBondContact N-O 2.9Å
15K47.4Very low71.8Confident191 Ų19163.3 Ų63.383%0.8332%0.317SS*.SBendtrans-66.9-16-179.8-125.7-176.2-178.2-170.60113.4
16F45.3Very low69.8Low187 Ų18771.5 Ų71.582%0.8235%0.352SS*.SBendtrans-145-7.7-178.6-63.9-72.2000115.3G14G14-F16 PolarHBondContact O-N 2.71Å
17D59.5Low68.1Low131 Ų13174.2 Ų74.270%0.70138%0.382SS*.SBendtrans-160.1158.4176.8-82.8-46.3000112.3G14G14-D17 WeakPolarHBondContact CA-O 3.46Å; G14-D17 PolarHBondContact N-O 2.9Å
18K66.2Low66.6Low118 Ų11873.8 Ų73.851%0.51338%0.378SS..EExtended strand (participates in β ladder)trans-76.7121.5164.6-83.3-173.2175.1-1700109.5E13E13-K18 HydrophobicContact CG-CG 4.06Å
19V65.7Low65.1Low44 Ų4474.5 Ų74.527%0.26738%0.382SS..EExtended strand (participates in β ladder)trans-109.8124.3-178.9-177.70000110.1E11 V12 V21 F28E11-V19 WeakPolarHBondContact CA-O 3.49Å; V12-V19 PolarHBondContact N-O 3.38Å; V12-V19 PolarHBondContact O-N 2.93Å; V12-V19 VanDerWaalsContact O-N 3.1Å; V19-V21 PolarHBondContact O-N 2.86Å; V19-F28 HydrophobicContact CB-CE2 4.25Å; V19-F28 HydrophobicContact CG1-CE2 4.05Å
20D73.1Confident63.5Low26 Ų2677.7 Ų77.714%0.13940%0.404CS..EExtended strand (participates in β ladder)trans-77.6101.7169.1-174.7-4.9000110.1I10 E11 T22 K23 S24I10-D20 PolarHBondContact N-OD1 3.36Å; I10-D20 CarbonylContact O-C 3.51Å; I10-D20 WeakPolarHBondContact O-CA 3.45Å; E11-D20 HydrophobicContact CG-CB 4.43Å; D20-T22 PolarHBondContact O-N 2.85Å; D20-T22 WeakPolarHBondContact OD1-CB 3.46Å; D20-T22 PolarHBondContact OD1-N 3.19Å; D20-T22 PolarHBondContact OD1-OG1 2.62Å; D20-T22 PolarHBondContact OD2-OG1 2.73Å; D20-K23 HydrophobicContact CB-CB 4.41Å; D20-K23 PolarHBondContact O-N 2.98Å; D20-K23 VanDerWaalsContact O-N 3.15Å; D20-K23 VanDerWaalsContact OD2-CD 3.3Å; D20-K23 WeakPolarHBondContact OD2-CD 3.06Å; D20-K23 WeakPolarHBondContact OD2-CE 3.23Å; D20-K23 WeakPolarHBondContact OD2-CG 3.43Å; D20-S24 PolarHBondContact O-N 2.91Å
21V69.1Low62.3Low10 Ų1080.1 Ų80.16%0.06143%0.425CS..THydrogen-bonded Turntrans-66.9-19.2-175.7-1690000111.8I10 V12 V19 F28 L36I10-V21 HydrophobicContact CB-CB 4.42Å; I10-V21 WeakPolarHBondContact O-CG2 3.46Å; I10-V21 PolarHBondContact O-N 2.94Å; V12-V21 HydrophobicContact CB-CG2 4.41Å; V12-V21 HydrophobicContact CG2-CG2 4.09Å; V19-V21 PolarHBondContact O-N 2.86Å; V21-F28 HydrophobicContact CG1-CB 4.46Å; V21-F28 HydrophobicContact CG1-CD2 4.09Å; V21-F28 HydrophobicContact CG1-CG 4.18Å; V21-F28 HydrophobicContact CG2-CD2 4.09Å; V21-F28 HydrophobicContact CG2-CE1 4.42Å; V21-F28 HydrophobicContact CG2-CE2 3.7Å; V21-F28 HydrophobicContact CG2-CZ 3.89Å; V21-L36 HydrophobicContact CB-CD2 4.26Å; V21-L36 HydrophobicContact CG1-CD2 4.25Å; V21-L36 HydrophobicContact CG2-CD2 3.77Å
22T66.9Low61.3Low36 Ų3681.2 Ų81.222%0.22143%0.43CS..THydrogen-bonded Turntrans-79.1-25.9177.2670000112.7I8 I10 D20 A66I8-T22 WeakPolarHBondContact O-CG2 3.32Å; I10-T22 HydrophobicContact CB-CG2 4.05Å; I10-T22 HydrophobicContact CD1-CG2 3.79Å; I10-T22 HydrophobicContact CG1-CG2 3.68Å; D20-T22 PolarHBondContact O-N 2.85Å; D20-T22 WeakPolarHBondContact OD1-CB 3.46Å; D20-T22 PolarHBondContact OD1-N 3.19Å; D20-T22 PolarHBondContact OD1-OG1 2.62Å; D20-T22 PolarHBondContact OD2-OG1 2.73Å; T22-A66 HydrophobicContact CG2-CB 4.28Å
23K67Low60.7Low173 Ų17381.7 Ų81.775%0.75243%0.434SS*.THydrogen-bonded Turntrans-99-28.4178.7-66.6-177.8-174.9176.80113.6D20D20-K23 HydrophobicContact CB-CB 4.41Å; D20-K23 PolarHBondContact O-N 2.98Å; D20-K23 VanDerWaalsContact O-N 3.15Å; D20-K23 VanDerWaalsContact OD2-CD 3.3Å; D20-K23 WeakPolarHBondContact OD2-CD 3.06Å; D20-K23 WeakPolarHBondContact OD2-CE 3.23Å; D20-K23 WeakPolarHBondContact OD2-CG 3.43Å
24S58.2Low60.3Low45 Ų4583.8 Ų83.832%0.31544%0.442SS..  trans-132.3107.8-179.4-177.50000111.6D20 K26D20-S24 PolarHBondContact O-N 2.91Å; S24-K26 PolarHBondContact OG-N 2.72Å
25L55.8Low60.8Low87 Ų8785.4 Ų85.446%0.45544%0.44SS..  trans-79.7-5.7167.7-77.4165.8000112.5G27 F28 A33L25-G27 PolarHBondContact O-N 3.45Å; L25-F28 PolarHBondContact O-N 3.24Å; L25-A33 HydrophobicContact CD2-CB 4.01Å
26K48.6Very low62.2Low193 Ų19376.9 Ų76.984%0.83940%0.403SS*.THydrogen-bonded Turntrans-68106.2177.8-83.8-177.3174.3178.30108.7S24S24-K26 PolarHBondContact OG-N 2.72Å
27G56.3Low63.7Low62 Ų6268.8 Ų68.864%0.63937%0.37SS*.THydrogen-bonded Turntrans116.7-12.9177.800000115.2L25L25-G27 PolarHBondContact O-N 3.45Å
28F58.8Low64.4Low42 Ų4266.6 Ų66.618%0.18436%0.357CS..  trans-116.2134.2177.3-68.2-88.5000111.2V12 V19 V21 L25 E32 L36V12-F28 HydrophobicContact CB-CZ 4.23Å; V12-F28 HydrophobicContact CG1-CZ 4.42Å; V19-F28 HydrophobicContact CB-CE2 4.25Å; V19-F28 HydrophobicContact CG1-CE2 4.05Å; V21-F28 HydrophobicContact CG1-CB 4.46Å; V21-F28 HydrophobicContact CG1-CD2 4.09Å; V21-F28 HydrophobicContact CG1-CG 4.18Å; V21-F28 HydrophobicContact CG2-CD2 4.09Å; V21-F28 HydrophobicContact CG2-CE1 4.42Å; V21-F28 HydrophobicContact CG2-CE2 3.7Å; V21-F28 HydrophobicContact CG2-CZ 3.89Å; L25-F28 PolarHBondContact O-N 3.24Å; F28-E32 HydrophobicContact CD1-CB 4.38Å; F28-L36 HydrophobicContact CD1-CD1 4.24Å; F28-L36 HydrophobicContact CE1-CD1 4.29Å
29T55.5Low65.1Low16 Ų1661.7 Ų61.710%0.09834%0.337CS..  trans-67.2153.9171.4580000110.8A31 E32 A33 Q521 M525T29-A31 PolarHBondContact O-N 3.31Å; T29-E32 WeakPolarHBondContact CB-OE2 3.42Å; T29-E32 WeakPolarHBondContact CG2-OE2 3Å; T29-E32 PolarHBondContact N-OE2 3.46Å; T29-E32 CarbonylContact O-C 3.57Å; T29-E32 PolarHBondContact O-N 3.45Å; T29-E32 VanDerWaalsContact O-N 3.08Å; T29-E32 WeakPolarHBondContact OG1-CB 3.44Å; T29-E32 WeakPolarHBondContact OG1-CG 3.36Å; T29-E32 PolarHBondContact OG1-N 3.41Å; T29-E32 PolarHBondContact OG1-OE2 3.01Å; T29-A33 WeakPolarHBondContact O-CB 3.22Å; T29-A33 PolarHBondContact O-N 3.35Å; T29-Q521 HydrophobicContact CG2-CG 3.25Å; T29-M525 HydrophobicContact CG2-CE 3.17Å; T29-M525 HydrophobicContact CG2-CG 3.97Å; T29-M525 HydrophobicContact CG2-SD 3.24Å; T29-M525 WeakPolarHBondContact CG2-SD 3.49Å
30S54.9Low65.9Low83 Ų8359.6 Ų59.658%0.5833%0.325SS*.Hα-helixtrans-56-33.7168.8-45.60000112.3K34 Q521S30-K34 WeakPolarHBondContact O-CB 3.49Å; S30-K34 PolarHBondContact O-N 3.45Å; S30-Q521 PolarHBondContact OG-NE2 3.19Å
31A57.1Low66.3Low53 Ų5362.7 Ų62.744%0.43834%0.335SS..Hα-helixtrans-67-44.5173.600000112.2T29 K34 E35T29-A31 PolarHBondContact O-N 3.31Å; A31-K34 PolarHBondContact O-N 3.18Å; A31-E35 WeakPolarHBondContact O-CB 3.47Å; A31-E35 PolarHBondContact O-N 2.99Å
32E65.4Low66.9Low67 Ų6766.9 Ų66.931%0.31335%0.353SS..Hα-helixtrans-65.9-45174.9-75.7157.816000111.1F28 T29 K34 E35 L36F28-E32 HydrophobicContact CD1-CB 4.38Å; T29-E32 WeakPolarHBondContact CB-OE2 3.42Å; T29-E32 WeakPolarHBondContact CG2-OE2 3Å; T29-E32 PolarHBondContact N-OE2 3.46Å; T29-E32 CarbonylContact O-C 3.57Å; T29-E32 PolarHBondContact O-N 3.45Å; T29-E32 VanDerWaalsContact O-N 3.08Å; T29-E32 WeakPolarHBondContact OG1-CB 3.44Å; T29-E32 WeakPolarHBondContact OG1-CG 3.36Å; T29-E32 PolarHBondContact OG1-N 3.41Å; T29-E32 PolarHBondContact OG1-OE2 3.01Å; E32-K34 VanDerWaalsContact C-N 3.28Å; E32-K34 PolarHBondContact O-N 2.9Å; E32-E35 CarbonylContact O-C 3.33Å; E32-E35 PolarHBondContact O-N 3.4Å; E32-L36 WeakPolarHBondContact O-CB 3.27Å; E32-L36 WeakPolarHBondContact O-CD1 3.37Å; E32-L36 PolarHBondContact O-N 3.02Å
33A66.8Low67.7Low13 Ų1365.2 Ų65.211%0.10734%0.342CS..Hα-helixtrans-57.9-42.8174.700000110.8L25 T29 L36 C37L25-A33 HydrophobicContact CD2-CB 4.01Å; T29-A33 WeakPolarHBondContact O-CB 3.22Å; T29-A33 PolarHBondContact O-N 3.35Å; A33-L36 WeakPolarHBondContact O-CB 3.14Å; A33-L36 PolarHBondContact O-N 3.44Å; A33-C37 WeakPolarHBondContact O-CB 3.32Å; A33-C37 PolarHBondContact O-N 2.72Å; A33-C37 PolarHBondContact O-SG 3.16Å
34K66.7Low68.5Low147 Ų14757 Ų5764%0.63931%0.306SS*.Hα-helixtrans-68.5-40.3175.6-163.6172.9-172.4174.10112.5S30 A31 E32 L36 C37 I38S30-K34 WeakPolarHBondContact O-CB 3.49Å; S30-K34 PolarHBondContact O-N 3.45Å; A31-K34 PolarHBondContact O-N 3.18Å; E32-K34 VanDerWaalsContact C-N 3.28Å; E32-K34 PolarHBondContact O-N 2.9Å; K34-L36 VanDerWaalsContact C-N 3.33Å; K34-C37 PolarHBondContact O-N 2.9Å; K34-I38 HydrophobicContact CG-CD1 4.3Å; K34-I38 WeakPolarHBondContact O-CB 3.49Å; K34-I38 VanDerWaalsContact O-CG1 3.24Å; K34-I38 WeakPolarHBondContact O-CG1 3.44Å; K34-I38 PolarHBondContact O-N 2.81Å
35E71.9Confident69.6Low70 Ų7054.9 Ų54.933%0.32729%0.292SS..Hα-helixtrans-60.4-42.8172.3-98.5179.4176.300110.9A31 E32 I38 C39 K180A31-E35 WeakPolarHBondContact O-CB 3.47Å; A31-E35 PolarHBondContact O-N 2.99Å; E32-E35 CarbonylContact O-C 3.33Å; E32-E35 PolarHBondContact O-N 3.4Å; E35-I38 PolarHBondContact O-N 2.94Å; E35-C39 VanDerWaalsContact O-CB 3.31Å; E35-C39 WeakPolarHBondContact O-CB 3.2Å; E35-C39 PolarHBondContact O-N 2.84Å; E35-K180 IonicContact OE1-NZ 2.79Å; E35-K180 PolarHBondContact OE1-NZ 3.46Å; E35-K180 IonicContact OE2-NZ 2.98Å
36L77.8Confident70.7Confident12 Ų1256 Ų566%0.06329%0.294CS..Hα-helixtrans-61.3-49.8173.1-97.196.6000111I10 V12 V21 F28 E32 A33 K34 I38 C39 V40 L94I10-L36 HydrophobicContact CG2-CD2 3.69Å; V12-L36 HydrophobicContact CG2-CD2 3.33Å; V12-L36 HydrophobicContact CG2-CG 4.38Å; V21-L36 HydrophobicContact CB-CD2 4.26Å; V21-L36 HydrophobicContact CG1-CD2 4.25Å; V21-L36 HydrophobicContact CG2-CD2 3.77Å; F28-L36 HydrophobicContact CD1-CD1 4.24Å; F28-L36 HydrophobicContact CE1-CD1 4.29Å; E32-L36 WeakPolarHBondContact O-CB 3.27Å; E32-L36 WeakPolarHBondContact O-CD1 3.37Å; E32-L36 PolarHBondContact O-N 3.02Å; A33-L36 WeakPolarHBondContact O-CB 3.14Å; A33-L36 PolarHBondContact O-N 3.44Å; K34-L36 VanDerWaalsContact C-N 3.33Å; L36-I38 VanDerWaalsContact C-N 3.27Å; L36-I38 PolarHBondContact O-N 2.86Å; L36-C39 CarbonylContact O-C 3.55Å; L36-C39 WeakPolarHBondContact O-CA 3.3Å; L36-C39 VanDerWaalsContact O-CB 3.31Å; L36-C39 WeakPolarHBondContact O-CB 3.44Å; L36-C39 PolarHBondContact O-N 2.7Å; L36-V40 WeakPolarHBondContact O-CG2 3.41Å; L36-V40 PolarHBondContact O-N 3.36Å; L36-L94 HydrophobicContact CD2-CD1 3.74Å; L36-L94 HydrophobicContact CG-CD1 3.98Å
37C76Confident72.1Confident17 Ų1751.8 Ų51.812%0.11528%0.276CS..Hα-helixtrans-60.3-38.9179.6-68.90000111.5A33 K34 V40 Y41 Y62 G64A33-C37 WeakPolarHBondContact O-CB 3.32Å; A33-C37 PolarHBondContact O-N 2.72Å; A33-C37 PolarHBondContact O-SG 3.16Å; K34-C37 PolarHBondContact O-N 2.9Å; C37-V40 PolarHBondContact O-N 2.75Å; C37-Y41 WeakPolarHBondContact O-CB 3.49Å; C37-Y41 PolarHBondContact O-N 3.44Å; C37-Y62 HydrophobicContact CB-CE1 3.98Å; C37-Y62 WeakPolarHBondContact O-CE1 3.46Å; C37-Y62 PolarHBondContact SG-OH 2.81Å; C37-Y62 VanDerWaalsContact SG-OH 3.34Å; C37-G64 WeakPolarHBondContact CB-O 3.45Å; C37-G64 PolarHBondContact SG-O 3.14Å
38I74.8Confident73Confident84 Ų8456.6 Ų56.643%0.43128%0.28SS..Hα-helixtrans-64.9-41.8171.7-68.4164.3000110.6K34 E35 L36 V40 Y41 K42K34-I38 HydrophobicContact CG-CD1 4.3Å; K34-I38 WeakPolarHBondContact O-CB 3.49Å; K34-I38 VanDerWaalsContact O-CG1 3.24Å; K34-I38 WeakPolarHBondContact O-CG1 3.44Å; K34-I38 PolarHBondContact O-N 2.81Å; E35-I38 PolarHBondContact O-N 2.94Å; L36-I38 VanDerWaalsContact C-N 3.27Å; L36-I38 PolarHBondContact O-N 2.86Å; I38-V40 VanDerWaalsContact C-N 3.34Å; I38-Y41 PolarHBondContact O-N 3.31Å; I38-K42 HydrophobicContact CG2-CD 4.38Å; I38-K42 HydrophobicContact CG2-CG 4.46Å; I38-K42 WeakPolarHBondContact O-CG 3.27Å; I38-K42 PolarHBondContact O-N 2.94Å
39C81.4Confident73.6Confident15 Ų1558.8 Ų58.810%0.10130%0.298CS..Hα-helixtrans-64.3-39.2178.5-1640000112.2E35 L36 S43E35-C39 VanDerWaalsContact O-CB 3.31Å; E35-C39 WeakPolarHBondContact O-CB 3.2Å; E35-C39 PolarHBondContact O-N 2.84Å; L36-C39 CarbonylContact O-C 3.55Å; L36-C39 WeakPolarHBondContact O-CA 3.3Å; L36-C39 VanDerWaalsContact O-CB 3.31Å; L36-C39 WeakPolarHBondContact O-CB 3.44Å; L36-C39 PolarHBondContact O-N 2.7Å; C39-S43 WeakPolarHBondContact O-CB 3.44Å; C39-S43 PolarHBondContact O-N 3.14Å; C39-S43 PolarHBondContact O-OG 3.37Å
40V82.4Confident74.6Confident0 Ų059.5 Ų59.50%030%0.3CS..Hα-helixtrans-62.2-50.9172.31680000110.1I8 I10 L36 C37 I38 K42 S43 L44 L94 I96I8-V40 HydrophobicContact CD1-CG1 4.04Å; I8-V40 HydrophobicContact CG2-CG1 4.37Å; I10-V40 HydrophobicContact CD1-CG2 3.77Å; I10-V40 HydrophobicContact CG1-CG2 3.92Å; I10-V40 HydrophobicContact CG2-CG2 4Å; L36-V40 WeakPolarHBondContact O-CG2 3.41Å; L36-V40 PolarHBondContact O-N 3.36Å; C37-V40 PolarHBondContact O-N 2.75Å; I38-V40 VanDerWaalsContact C-N 3.34Å; V40-K42 VanDerWaalsContact C-N 3.35Å; V40-K42 PolarHBondContact O-N 3.17Å; V40-S43 PolarHBondContact O-N 3.2Å; V40-S43 VanDerWaalsContact O-N 3.12Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 HydrophobicContact CG1-CG 4.34Å; V40-L44 WeakPolarHBondContact O-CG 3.29Å; V40-L44 PolarHBondContact O-N 2.66Å; V40-L94 HydrophobicContact CG2-CD2 4.13Å; V40-I96 HydrophobicContact CB-CD1 4.19Å; V40-I96 HydrophobicContact CG1-CD1 4.1Å; V40-I96 HydrophobicContact CG1-CG2 4.08Å; V40-I96 HydrophobicContact CG2-CD1 3.94Å; V40-I96 HydrophobicContact CG2-CG1 4.03Å
41Y81.8Confident75.3Confident91 Ų9156.5 Ų56.536%0.35728%0.279SS..Hα-helixtrans-54.4-51.5176.6-179.9-87.7000111.3C37 I38 S43 L44 F45 Y62C37-Y41 WeakPolarHBondContact O-CB 3.49Å; C37-Y41 PolarHBondContact O-N 3.44Å; I38-Y41 PolarHBondContact O-N 3.31Å; Y41-S43 VanDerWaalsContact C-N 3.32Å; Y41-S43 PolarHBondContact O-N 3.5Å; Y41-L44 PolarHBondContact O-N 3.07Å; Y41-F45 HydrophobicContact CD1-CD2 4.49Å; Y41-F45 AromaticContact CD2-CD2 3.37Å; Y41-F45 HydrophobicContact CD2-CD2 3.37Å; Y41-F45 AromaticContact CD2-CE2 3.73Å; Y41-F45 HydrophobicContact CD2-CE2 3.73Å; Y41-F45 HydrophobicContact CD2-CG 4.27Å; Y41-F45 HydrophobicContact CE1-CB 4.41Å; Y41-F45 HydrophobicContact CE2-CB 4.46Å; Y41-F45 AromaticContact CE2-CD2 3.61Å; Y41-F45 HydrophobicContact CE2-CD2 3.61Å; Y41-F45 HydrophobicContact CE2-CE2 4.07Å; Y41-F45 HydrophobicContact CE2-CG 4.1Å; Y41-F45 AromaticContact CG-CD2 3.86Å; Y41-F45 HydrophobicContact CG-CD2 3.86Å; Y41-F45 WeakPolarHBondContact O-CB 3.3Å; Y41-F45 VanDerWaalsContact O-CD2 3.27Å; Y41-F45 WeakPolarHBondContact O-CD2 3.37Å; Y41-F45 PolarHBondContact O-N 3.38Å; Y41-Y62 HydrophobicContact CD2-CD1 4.19Å
42K80.8Confident76.1Confident99 Ų9956.5 Ų56.543%0.4327%0.271SS..Hα-helixtrans-61.5-40.1178.4-68.9-169.7169.9-169.90112.6I38 V40 E46 K47I38-K42 HydrophobicContact CG2-CD 4.38Å; I38-K42 HydrophobicContact CG2-CG 4.46Å; I38-K42 WeakPolarHBondContact O-CG 3.27Å; I38-K42 PolarHBondContact O-N 2.94Å; V40-K42 VanDerWaalsContact C-N 3.35Å; V40-K42 PolarHBondContact O-N 3.17Å; K42-E46 WeakPolarHBondContact CG-OE2 3.1Å; K42-E46 WeakPolarHBondContact O-CA 3.32Å; K42-E46 VanDerWaalsContact O-CB 3.29Å; K42-E46 WeakPolarHBondContact O-CB 3.49Å; K42-E46 PolarHBondContact O-N 2.84Å; K42-K47 PolarHBondContact O-N 3.49Å; K42-K47 VanDerWaalsContact O-N 3.11Å
43S83.2Confident76.5Confident0 Ų055.4 Ų55.40%027%0.267CS..Hα-helixtrans-67.7-44.4-179.4-61.50000111.5C39 V40 Y41 H50 T86C39-S43 WeakPolarHBondContact O-CB 3.44Å; C39-S43 PolarHBondContact O-N 3.14Å; C39-S43 PolarHBondContact O-OG 3.37Å; V40-S43 PolarHBondContact O-N 3.2Å; V40-S43 VanDerWaalsContact O-N 3.12Å; Y41-S43 VanDerWaalsContact C-N 3.32Å; Y41-S43 PolarHBondContact O-N 3.5Å; S43-H50 VanDerWaalsContact O-CB 3.32Å; S43-H50 WeakPolarHBondContact O-CB 3.33Å; S43-H50 PolarHBondContact O-CD2 3.22Å; S43-T86 PolarHBondContact OG-OG1 3.32Å; S43-T86 VanDerWaalsContact OG-OG1 3.06Å
44L83.3Confident77Confident0 Ų054.9 Ų54.90%026%0.263CS..Hα-helixtrans-74.7-44.2-179.4-65.2-179.6000112.9I8 V40 Y41 H50 C51 F54 I68 Y82 A84 I96 V98I8-L44 HydrophobicContact CD1-CD1 4.06Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 HydrophobicContact CG1-CG 4.34Å; V40-L44 WeakPolarHBondContact O-CG 3.29Å; V40-L44 PolarHBondContact O-N 2.66Å; Y41-L44 PolarHBondContact O-N 3.07Å; L44-H50 CarbonylContact O-C 3.54Å; L44-C51 WeakPolarHBondContact O-CA 3.44Å; L44-C51 PolarHBondContact O-N 3.19Å; L44-F54 HydrophobicContact CB-CD2 4.13Å; L44-F54 HydrophobicContact CB-CE2 3.97Å; L44-F54 HydrophobicContact CB-CZ 4.43Å; L44-F54 HydrophobicContact CD1-CZ 4.29Å; L44-F54 HydrophobicContact CD2-CE2 3.86Å; L44-F54 HydrophobicContact CD2-CZ 4.3Å; L44-F54 HydrophobicContact CG-CE2 4.33Å; L44-F54 VanDerWaalsContact O-CD2 3.32Å; L44-F54 WeakPolarHBondContact O-CD2 3.42Å; L44-I68 HydrophobicContact CD1-CD1 3.98Å; L44-Y82 HydrophobicContact CD2-CD1 4.47Å; L44-Y82 HydrophobicContact CD2-CE1 4.18Å; L44-A84 HydrophobicContact CD2-CB 4.1Å; L44-I96 HydrophobicContact CD1-CG2 4.05Å; L44-I96 HydrophobicContact CD2-CD1 4.22Å; L44-I96 HydrophobicContact CD2-CG2 4.1Å; L44-I96 HydrophobicContact CG-CD1 4.2Å; L44-I96 HydrophobicContact CG-CG2 4.31Å; L44-V98 HydrophobicContact CD1-CG2 4.12Å; L44-V98 HydrophobicContact CD2-CG2 4.43Å
45F81.9Confident77Confident2 Ų255.9 Ų55.91%0.00926%0.262CS..Hα-helixtrans-100.3-18.3-168.4-61.6-77.5000114.6Y41 C51 F54 R57 C60 I68Y41-F45 HydrophobicContact CD1-CD2 4.49Å; Y41-F45 AromaticContact CD2-CD2 3.37Å; Y41-F45 HydrophobicContact CD2-CD2 3.37Å; Y41-F45 AromaticContact CD2-CE2 3.73Å; Y41-F45 HydrophobicContact CD2-CE2 3.73Å; Y41-F45 HydrophobicContact CD2-CG 4.27Å; Y41-F45 HydrophobicContact CE1-CB 4.41Å; Y41-F45 HydrophobicContact CE2-CB 4.46Å; Y41-F45 AromaticContact CE2-CD2 3.61Å; Y41-F45 HydrophobicContact CE2-CD2 3.61Å; Y41-F45 HydrophobicContact CE2-CE2 4.07Å; Y41-F45 HydrophobicContact CE2-CG 4.1Å; Y41-F45 AromaticContact CG-CD2 3.86Å; Y41-F45 HydrophobicContact CG-CD2 3.86Å; Y41-F45 WeakPolarHBondContact O-CB 3.3Å; Y41-F45 VanDerWaalsContact O-CD2 3.27Å; Y41-F45 WeakPolarHBondContact O-CD2 3.37Å; Y41-F45 PolarHBondContact O-N 3.38Å; F45-C51 WeakPolarHBondContact O-CB 3.37Å; F45-F54 HydrophobicContact CD1-CB 3.68Å; F45-F54 HydrophobicContact CD1-CD1 4.14Å; F45-F54 HydrophobicContact CD1-CG 4.01Å; F45-F54 HydrophobicContact CE1-CB 3.91Å; F45-F54 AromaticContact CE1-CD1 3.5Å; F45-F54 HydrophobicContact CE1-CD1 3.5Å; F45-F54 HydrophobicContact CE1-CE1 4.26Å; F45-F54 AromaticContact CE1-CG 3.87Å; F45-F54 HydrophobicContact CE1-CG 3.87Å; F45-F54 HydrophobicContact CZ-CD1 4.05Å; F45-F54 HydrophobicContact CZ-CE1 4.36Å; F45-R57 HydrophobicContact CD1-CB 3.87Å; F45-C60 HydrophobicContact CD1-CB 4.46Å; F45-C60 HydrophobicContact CE1-CB 3.55Å; F45-C60 HydrophobicContact CZ-CB 4.17Å; F45-I68 HydrophobicContact CE2-CD1 4.47Å; F45-I68 HydrophobicContact CZ-CD1 4.01Å; F45-I68 HydrophobicContact CZ-CG1 4.39Å; F45-I68 HydrophobicContact CZ-CG2 4.43Å
46E80.1Confident77Confident109 Ų10954.8 Ų54.851%0.50926%0.259SS..THydrogen-bonded Turntrans-118.2-26.5-174.6-57176.1-176.800114.1K42K42-E46 WeakPolarHBondContact CG-OE2 3.1Å; K42-E46 WeakPolarHBondContact O-CA 3.32Å; K42-E46 VanDerWaalsContact O-CB 3.29Å; K42-E46 WeakPolarHBondContact O-CB 3.49Å; K42-E46 PolarHBondContact O-N 2.84Å
47K77.5Confident76.7Confident105 Ų10561 Ų6146%0.45728%0.282SS..SBendtrans-98.5133.4-176.1-70-174.3178.3179.70113K42 H50 C51K42-K47 PolarHBondContact O-N 3.49Å; K42-K47 VanDerWaalsContact O-N 3.11Å; K47-H50 PolarHBondContact O-N 2.82Å; K47-H50 VanDerWaalsContact O-N 3.1Å; K47-C51 VanDerWaalsContact C-SG 3.56Å; K47-C51 PolarHBondContact O-N 2.58Å
48K75.4Confident76.3Confident164 Ų16464.6 Ų64.671%0.71330%0.295SS*.THydrogen-bonded Turntrans-73.6146.8167.1-76.2-167.6173.5-172.20111.2
49P71.6Confident76.4Confident88 Ų8861.7 Ų61.757%0.57128%0.281SS*.THydrogen-bonded Turncis-83.6-6.70.233.7-34.3000114C51 D52P49-C51 VanDerWaalsContact C-N 3.34Å; P49-C51 PolarHBondContact O-N 2.94Å; P49-D52 WeakPolarHBondContact O-CB 3.46Å; P49-D52 PolarHBondContact O-N 3.34Å
50H74.9Confident76.4Confident30 Ų3062 Ų6214%0.13928%0.283CS..G310 helixtrans-60.2-39.1-171.1-46.3-64.6000114S43 L44 K47 D52 I53 F54 Y82 A84S43-H50 VanDerWaalsContact O-CB 3.32Å; S43-H50 WeakPolarHBondContact O-CB 3.33Å; S43-H50 PolarHBondContact O-CD2 3.22Å; L44-H50 CarbonylContact O-C 3.54Å; K47-H50 PolarHBondContact O-N 2.82Å; K47-H50 VanDerWaalsContact O-N 3.1Å; H50-D52 PolarHBondContact O-N 2.81Å; H50-D52 VanDerWaalsContact O-N 3.07Å; H50-I53 PolarHBondContact O-N 2.79Å; H50-I53 VanDerWaalsContact O-N 3.14Å; H50-F54 WeakPolarHBondContact O-CD2 3.49Å; H50-Y82 VanDerWaalsContact CA-OH 3.32Å; H50-Y82 WeakPolarHBondContact CA-OH 3.29Å; H50-Y82 HydrophobicContact CB-CE1 4.4Å; H50-Y82 AromaticContact ND1-CZ 3.72Å; H50-Y82 PolarHBondContact ND1-OH 3.24Å; H50-A84 VanDerWaalsContact CE1-CB 3.47Å; H50-A84 WeakPolarHBondContact CE1-CB 3.48Å; H50-A84 VanDerWaalsContact ND1-CB 3.34Å; H50-A84 WeakPolarHBondContact ND1-CB 3.35Å
51C69.6Low76.3Confident20 Ų2064.7 Ų64.714%0.13531%0.305CS..G310 helixtrans-65.3-11.6179.168.20000113.9L44 F45 K47 P49 I53 F54 R55L44-C51 WeakPolarHBondContact O-CA 3.44Å; L44-C51 PolarHBondContact O-N 3.19Å; F45-C51 WeakPolarHBondContact O-CB 3.37Å; K47-C51 VanDerWaalsContact C-SG 3.56Å; K47-C51 PolarHBondContact O-N 2.58Å; P49-C51 VanDerWaalsContact C-N 3.34Å; P49-C51 PolarHBondContact O-N 2.94Å; C51-I53 VanDerWaalsContact C-N 3.34Å; C51-F54 CarbonylContact O-C 3.54Å; C51-F54 PolarHBondContact O-N 2.83Å; C51-R55 WeakPolarHBondContact O-CA 3.46Å; C51-R55 PolarHBondContact O-N 2.87Å
52D73.8Confident76.4Confident53 Ų5362 Ų6228%0.28329%0.294SS..G310 helixtrans-68.3-33.1173.8-73.7-46.2000112.5P49 H50 R55P49-D52 WeakPolarHBondContact O-CB 3.46Å; P49-D52 PolarHBondContact O-N 3.34Å; H50-D52 PolarHBondContact O-N 2.81Å; H50-D52 VanDerWaalsContact O-N 3.07Å; D52-R55 VanDerWaalsContact CG-NH2 3.28Å; D52-R55 WeakPolarHBondContact O-CB 3.45Å; D52-R55 VanDerWaalsContact O-CD 3.23Å; D52-R55 WeakPolarHBondContact O-CD 3.24Å; D52-R55 VanDerWaalsContact O-CG 3.24Å; D52-R55 WeakPolarHBondContact O-CG 3.27Å; D52-R55 PolarHBondContact O-N 2.83Å; D52-R55 IonicContact OD1-CZ 3.9Å; D52-R55 VanDerWaalsContact OD1-CZ 3.24Å; D52-R55 IonicContact OD1-NE 2.73Å; D52-R55 PolarHBondContact OD1-NE 3.34Å; D52-R55 IonicContact OD1-NH2 2.62Å; D52-R55 PolarHBondContact OD1-NH2 3.06Å; D52-R55 IonicContact OD2-NH2 3.47Å
53I75.3Confident76.3Confident44 Ų4460.6 Ų60.623%0.22629%0.292CS..THydrogen-bonded Turntrans-73.5-34.6174.8-65.6176.4000110.7H50 C51 R55 L74 L76 Y82H50-I53 PolarHBondContact O-N 2.79Å; H50-I53 VanDerWaalsContact O-N 3.14Å; C51-I53 VanDerWaalsContact C-N 3.34Å; I53-R55 VanDerWaalsContact C-N 3.3Å; I53-R55 PolarHBondContact O-N 3.21Å; I53-L74 HydrophobicContact CG2-CB 4.4Å; I53-L76 HydrophobicContact CG2-CD2 4.28Å; I53-Y82 HydrophobicContact CD1-CD1 4.28Å; I53-Y82 HydrophobicContact CD1-CD2 3.24Å; I53-Y82 HydrophobicContact CD1-CE1 4.08Å; I53-Y82 HydrophobicContact CD1-CE2 3.03Å; I53-Y82 HydrophobicContact CD1-CG 3.87Å; I53-Y82 VanDerWaalsContact CD1-CZ 3.46Å; I53-Y82 HydrophobicContact CG1-CE2 4.44Å
54F75.8Confident75.8Confident2 Ų262.4 Ų62.41%0.00931%0.31CS..THydrogen-bonded Turntrans-96.432.2176.6-56.8-86.3000111.6L44 F45 H50 C51 D56 R57 I68 L74 Y82 V98L44-F54 HydrophobicContact CB-CD2 4.13Å; L44-F54 HydrophobicContact CB-CE2 3.97Å; L44-F54 HydrophobicContact CB-CZ 4.43Å; L44-F54 HydrophobicContact CD1-CZ 4.29Å; L44-F54 HydrophobicContact CD2-CE2 3.86Å; L44-F54 HydrophobicContact CD2-CZ 4.3Å; L44-F54 HydrophobicContact CG-CE2 4.33Å; L44-F54 VanDerWaalsContact O-CD2 3.32Å; L44-F54 WeakPolarHBondContact O-CD2 3.42Å; F45-F54 HydrophobicContact CD1-CB 3.68Å; F45-F54 HydrophobicContact CD1-CD1 4.14Å; F45-F54 HydrophobicContact CD1-CG 4.01Å; F45-F54 HydrophobicContact CE1-CB 3.91Å; F45-F54 AromaticContact CE1-CD1 3.5Å; F45-F54 HydrophobicContact CE1-CD1 3.5Å; F45-F54 HydrophobicContact CE1-CE1 4.26Å; F45-F54 AromaticContact CE1-CG 3.87Å; F45-F54 HydrophobicContact CE1-CG 3.87Å; F45-F54 HydrophobicContact CZ-CD1 4.05Å; F45-F54 HydrophobicContact CZ-CE1 4.36Å; H50-F54 WeakPolarHBondContact O-CD2 3.49Å; C51-F54 CarbonylContact O-C 3.54Å; C51-F54 PolarHBondContact O-N 2.83Å; F54-D56 PolarHBondContact O-N 3.2Å; F54-D56 VanDerWaalsContact O-N 3.15Å; F54-R57 WeakPolarHBondContact O-CA 3.25Å; F54-R57 VanDerWaalsContact O-CB 3.32Å; F54-R57 WeakPolarHBondContact O-CB 3.25Å; F54-R57 PolarHBondContact O-N 2.82Å; F54-I68 HydrophobicContact CE1-CD1 3.86Å; F54-I68 HydrophobicContact CZ-CD1 4.27Å; F54-L74 HydrophobicContact CD1-CD1 4.15Å; F54-L74 HydrophobicContact CD1-CD2 3.77Å; F54-L74 HydrophobicContact CE1-CD1 3.47Å; F54-L74 VanDerWaalsContact CE1-CD1 3.47Å; F54-L74 HydrophobicContact CE1-CD2 3.97Å; F54-L74 HydrophobicContact CE1-CG 4.39Å; F54-L74 HydrophobicContact CZ-CD1 4.12Å; F54-Y82 HydrophobicContact CE2-CD1 4.31Å; F54-Y82 HydrophobicContact CE2-CE1 4.29Å; F54-V98 HydrophobicContact CZ-CG2 4.33Å
55R67.5Low75.3Confident168 Ų16869.9 Ų69.963%0.63434%0.338SS*.THydrogen-bonded Turntrans-54.1-36.1-176.5-102.8165.5-166.1-174.37112.8C51 D52 I53 R57C51-R55 WeakPolarHBondContact O-CA 3.46Å; C51-R55 PolarHBondContact O-N 2.87Å; D52-R55 VanDerWaalsContact CG-NH2 3.28Å; D52-R55 WeakPolarHBondContact O-CB 3.45Å; D52-R55 VanDerWaalsContact O-CD 3.23Å; D52-R55 WeakPolarHBondContact O-CD 3.24Å; D52-R55 VanDerWaalsContact O-CG 3.24Å; D52-R55 WeakPolarHBondContact O-CG 3.27Å; D52-R55 PolarHBondContact O-N 2.83Å; D52-R55 IonicContact OD1-CZ 3.9Å; D52-R55 VanDerWaalsContact OD1-CZ 3.24Å; D52-R55 IonicContact OD1-NE 2.73Å; D52-R55 PolarHBondContact OD1-NE 3.34Å; D52-R55 IonicContact OD1-NH2 2.62Å; D52-R55 PolarHBondContact OD1-NH2 3.06Å; D52-R55 IonicContact OD2-NH2 3.47Å; I53-R55 VanDerWaalsContact C-N 3.3Å; I53-R55 PolarHBondContact O-N 3.21Å; R55-R57 PolarHBondContact O-N 3.25Å
56D72.9Confident75.3Confident48 Ų4870.5 Ų70.526%0.25734%0.344SS..THydrogen-bonded Turntrans-88.745.8173.2-62.2-44.5000111.2F54 F58 L59 K72F54-D56 PolarHBondContact O-N 3.2Å; F54-D56 VanDerWaalsContact O-N 3.15Å; D56-F58 HydrophobicContact CB-CE1 4.19Å; D56-F58 HydrophobicContact CB-CZ 4.06Å; D56-F58 PolarHBondContact O-N 2.94Å; D56-F58 WeakPolarHBondContact OD1-CZ 3.12Å; D56-L59 HydrophobicContact CB-CD1 3.98Å; D56-L59 HydrophobicContact CB-CG 4.21Å; D56-L59 WeakPolarHBondContact O-CB 3.44Å; D56-L59 PolarHBondContact O-N 2.75Å; D56-K72 VanDerWaalsContact OD2-CD 3.24Å; D56-K72 WeakPolarHBondContact OD2-CD 3.47Å; D56-K72 IonicContact OD2-NZ 2.7Å; D56-K72 PolarHBondContact OD2-NZ 3.38Å
57R69.9Low75.6Confident142 Ų14266.9 Ų66.954%0.53633%0.328SS..G310 helixtrans-54.8-25.7-176.263.2176.1-177.2-113.6-3.7113.8F45 F54 R55 L59 C60F45-R57 HydrophobicContact CD1-CB 3.87Å; F54-R57 WeakPolarHBondContact O-CA 3.25Å; F54-R57 VanDerWaalsContact O-CB 3.32Å; F54-R57 WeakPolarHBondContact O-CB 3.25Å; F54-R57 PolarHBondContact O-N 2.82Å; R55-R57 PolarHBondContact O-N 3.25Å; R57-L59 PolarHBondContact O-N 2.9Å; R57-C60 PolarHBondContact O-N 3.16Å; R57-C60 VanDerWaalsContact O-N 3.12Å
58F68.8Low76.2Confident93 Ų9361.9 Ų61.941%0.40831%0.306SS..G310 helixtrans-70.1-17.8176.554.8-89.6000113D56 K298 F299D56-F58 HydrophobicContact CB-CE1 4.19Å; D56-F58 HydrophobicContact CB-CZ 4.06Å; D56-F58 PolarHBondContact O-N 2.94Å; D56-F58 WeakPolarHBondContact OD1-CZ 3.12Å; F58-K298 HydrophobicContact CD2-CB 4.31Å; F58-K298 HydrophobicContact CE2-CB 3.8Å; F58-K298 HydrophobicContact CE2-CD 4Å; F58-K298 HydrophobicContact CZ-CD 3.99Å; F58-F299 WeakPolarHBondContact O-CD2 3.46Å
59L76.5Confident76.8Confident23 Ų2357.6 Ų57.612%0.1229%0.286CS..G310 helixtrans-92.5-6.2171.1-54.9-178.1000112.7D56 R57 T70 L71 K72 F299D56-L59 HydrophobicContact CB-CD1 3.98Å; D56-L59 HydrophobicContact CB-CG 4.21Å; D56-L59 WeakPolarHBondContact O-CB 3.44Å; D56-L59 PolarHBondContact O-N 2.75Å; R57-L59 PolarHBondContact O-N 2.9Å; L59-T70 WeakPolarHBondContact O-CA 2.98Å; L59-L71 HydrophobicContact CB-CB 4.28Å; L59-L71 HydrophobicContact CD2-CD1 4.34Å; L59-L71 PolarHBondContact O-N 2.78Å; L59-K72 HydrophobicContact CD1-CB 4.07Å; L59-F299 HydrophobicContact CD2-CB 4.09Å; L59-F299 HydrophobicContact CD2-CD2 3.76Å; L59-F299 HydrophobicContact CD2-CG 4.42Å
60C81.7Confident77.6Confident21 Ų2153.4 Ų53.414%0.14226%0.259CS..EExtended strand (participates in β ladder)trans-101.5132.3-176.3-62.30000110.9F45 R57 I68 Y69F45-C60 HydrophobicContact CD1-CB 4.46Å; F45-C60 HydrophobicContact CE1-CB 3.55Å; F45-C60 HydrophobicContact CZ-CB 4.17Å; R57-C60 PolarHBondContact O-N 3.16Å; R57-C60 VanDerWaalsContact O-N 3.12Å; C60-I68 HydrophobicContact CB-CG2 4.45Å; C60-Y69 CarbonylContact C-O 3.58Å; C60-Y69 WeakPolarHBondContact CA-O 3.09Å
61A81.1Confident77.9Confident56 Ų5653.7 Ų53.746%0.46326%0.261SS..EExtended strand (participates in β ladder)trans-118120.1172.300000109.9I68 Y69A61-I68 CarbonylContact O-C 3.59Å; A61-I68 WeakPolarHBondContact O-CA 3.28Å; A61-Y69 PolarHBondContact N-O 2.87Å; A61-Y69 PolarHBondContact O-N 2.88Å
62Y82.9Confident78.6Confident34 Ų3458.2 Ų58.213%0.13328%0.278CS..EExtended strand (participates in β ladder)trans-95.4125.3170.2176.4-133.7000109.4I8 C37 Y41 G64 R65 N67 I68I8-Y62 HydrophobicContact CD1-CD2 3.67Å; I8-Y62 HydrophobicContact CD1-CE2 3.4Å; I8-Y62 HydrophobicContact CG1-CE2 4.39Å; C37-Y62 HydrophobicContact CB-CE1 3.98Å; C37-Y62 WeakPolarHBondContact O-CE1 3.46Å; C37-Y62 PolarHBondContact SG-OH 2.81Å; C37-Y62 VanDerWaalsContact SG-OH 3.34Å; Y41-Y62 HydrophobicContact CD2-CD1 4.19Å; Y62-G64 VanDerWaalsContact CE1-CA 3.43Å; Y62-G64 PolarHBondContact O-N 3.34Å; Y62-R65 PolarHBondContact OH-N 3.48Å; Y62-R65 PolarHBondContact OH-O 3.22Å; Y62-N67 VanDerWaalsContact CD2-O 3.32Å; Y62-N67 WeakPolarHBondContact CD2-O 3.19Å; Y62-I68 HydrophobicContact CD2-CG1 4.12Å
63D77.7Confident79.2Confident71 Ų7161.7 Ų61.738%0.3829%0.293SS..  trans-69.5-1.2179.873.9-12.1000113.9R65 A66 N67 Y69D63-R65 VanDerWaalsContact C-N 3.26Å; D63-R65 PolarHBondContact O-N 2.91Å; D63-R65 WeakPolarHBondContact OD1-CA 3.34Å; D63-R65 PolarHBondContact OD1-N 2.91Å; D63-A66 PolarHBondContact OD1-N 3.42Å; D63-N67 HydrophobicContact CB-CB 4.43Å; D63-N67 PolarHBondContact N-O 3.2Å; D63-N67 PolarHBondContact OD1-N 2.99Å; D63-N67 WeakPolarHBondContact OD2-CB 3.27Å; D63-N67 PolarHBondContact OD2-N 2.8Å; D63-N67 PolarHBondContact OD2-ND2 2.74Å; D63-Y69 HydrophobicContact CB-CE2 4.29Å
64G73.3Confident79.7Confident38 Ų3860.2 Ų60.239%0.39229%0.286SS..SBendtrans75.216.4-178.200000113.1C37 Y62C37-G64 WeakPolarHBondContact CB-O 3.45Å; C37-G64 PolarHBondContact SG-O 3.14Å; Y62-G64 VanDerWaalsContact CE1-CA 3.43Å; Y62-G64 PolarHBondContact O-N 3.34Å
65R72.6Confident80Confident157 Ų15764.1 Ų64.159%0.59232%0.318SS*.SBendtrans-142.9-67.9-177.2-157.2175.1-174.4173.7-1113.9Y62 D63Y62-R65 PolarHBondContact OH-N 3.48Å; Y62-R65 PolarHBondContact OH-O 3.22Å; D63-R65 VanDerWaalsContact C-N 3.26Å; D63-R65 PolarHBondContact O-N 2.91Å; D63-R65 WeakPolarHBondContact OD1-CA 3.34Å; D63-R65 PolarHBondContact OD1-N 2.91Å
66A83Confident80.6Confident14 Ų1457.3 Ų57.312%0.11629%0.294CS..SBendtrans-151.91.1-168.900000114.1N7 I8 T22 D63N7-A66 CarbonylContact C-O 3.57Å; N7-A66 WeakPolarHBondContact CA-O 3.36Å; N7-A66 PolarHBondContact ND2-O 3.35Å; I8-A66 PolarHBondContact N-O 3.08Å; T22-A66 HydrophobicContact CG2-CB 4.28Å; D63-A66 PolarHBondContact OD1-N 3.42Å
67N86.8Confident80.3Confident33 Ų3357.9 Ų57.918%0.17631%0.312CS..EExtended strand (participates in β ladder)trans-132.7133.9-174.3-56.1-74.5000111.8H5 Y6 Y62 D63 Y69H5-N67 PolarHBondContact NE2-OD1 3.22Å; Y6-N67 CarbonylContact O-C 3.51Å; Y6-N67 WeakPolarHBondContact O-CA 3.47Å; Y62-N67 VanDerWaalsContact CD2-O 3.32Å; Y62-N67 WeakPolarHBondContact CD2-O 3.19Å; D63-N67 HydrophobicContact CB-CB 4.43Å; D63-N67 PolarHBondContact N-O 3.2Å; D63-N67 PolarHBondContact OD1-N 2.99Å; D63-N67 WeakPolarHBondContact OD2-CB 3.27Å; D63-N67 PolarHBondContact OD2-N 2.8Å; D63-N67 PolarHBondContact OD2-ND2 2.74Å; N67-Y69 HydrophobicContact CB-CE2 3.67Å
68I88.7Confident79.7Confident0 Ų063.7 Ų63.70%033%0.334CS..EExtended strand (participates in β ladder)trans-108.9131.3165.2-61.1172.4000107.5Y6 I8 L44 F45 F54 C60 A61 Y62 V98Y6-I68 PolarHBondContact N-O 3.22Å; Y6-I68 PolarHBondContact O-N 3.22Å; I8-I68 HydrophobicContact CD1-CD1 3.52Å; I8-I68 HydrophobicContact CD1-CG1 3.59Å; I8-I68 HydrophobicContact CG1-CD1 3.81Å; I8-I68 HydrophobicContact CG1-CG1 3.84Å; L44-I68 HydrophobicContact CD1-CD1 3.98Å; F45-I68 HydrophobicContact CE2-CD1 4.47Å; F45-I68 HydrophobicContact CZ-CD1 4.01Å; F45-I68 HydrophobicContact CZ-CG1 4.39Å; F45-I68 HydrophobicContact CZ-CG2 4.43Å; F54-I68 HydrophobicContact CE1-CD1 3.86Å; F54-I68 HydrophobicContact CZ-CD1 4.27Å; C60-I68 HydrophobicContact CB-CG2 4.45Å; A61-I68 CarbonylContact O-C 3.59Å; A61-I68 WeakPolarHBondContact O-CA 3.28Å; Y62-I68 HydrophobicContact CD2-CG1 4.12Å; I68-V98 HydrophobicContact CD1-CG1 4.44Å
69Y88.5Confident79.4Confident74 Ų7467.6 Ų67.629%0.2935%0.35SS..EExtended strand (participates in β ladder)trans-113135.7170.7-53.4-84.7000107.9V3 Y4 H5 C60 A61 D63 N67 F104V3-Y69 HydrophobicContact CG1-CD1 4.28Å; Y4-Y69 CarbonylContact O-C 3.57Å; Y4-Y69 WeakPolarHBondContact O-CA 3.41Å; H5-Y69 AromaticContact CD2-CD1 3.95Å; H5-Y69 AromaticContact CD2-CE1 3.59Å; C60-Y69 CarbonylContact C-O 3.58Å; C60-Y69 WeakPolarHBondContact CA-O 3.09Å; A61-Y69 PolarHBondContact N-O 2.87Å; A61-Y69 PolarHBondContact O-N 2.88Å; D63-Y69 HydrophobicContact CB-CE2 4.29Å; N67-Y69 HydrophobicContact CB-CE2 3.67Å; Y69-F104 HydrophobicContact CD1-CD2 4.31Å; Y69-F104 HydrophobicContact CD1-CE2 4.06Å; Y69-F104 HydrophobicContact CE1-CD2 4.29Å; Y69-F104 AromaticContact CE1-CE2 3.62Å; Y69-F104 HydrophobicContact CE1-CE2 3.62Å; Y69-F104 HydrophobicContact CE1-CZ 4.36Å
70T87.5Confident79.5Confident1 Ų170.6 Ų70.61%0.00637%0.373CS..EExtended strand (participates in β ladder)trans-143.1146.6176.8169.60000111.7Y4 Y6 L59 K72 L74Y4-T70 PolarHBondContact N-O 2.66Å; Y4-T70 PolarHBondContact O-N 2.75Å; Y6-T70 HydrophobicContact CD2-CG2 3.96Å; Y6-T70 HydrophobicContact CE2-CG2 3.41Å; Y6-T70 VanDerWaalsContact CE2-CG2 3.41Å; L59-T70 WeakPolarHBondContact O-CA 2.98Å; T70-K72 WeakPolarHBondContact CG2-O 3.45Å; T70-K72 PolarHBondContact OG1-N 2.91Å; T70-K72 VanDerWaalsContact OG1-N 3.12Å; T70-K72 PolarHBondContact OG1-O 2.85Å; T70-L74 HydrophobicContact CG2-CD2 4.33Å; T70-L74 HydrophobicContact CG2-CG 4.04Å
71L82.2Confident79.7Confident36 Ų3672.3 Ų72.319%0.18838%0.379CS..SBendtrans-80.8-6.9176.5-53.6-172.2000113.1M1 V3 L59 F299 A302 L303M1-L71 HydrophobicContact CE-CB 4.19Å; M1-L71 HydrophobicContact CE-CD1 3.46Å; M1-L71 VanDerWaalsContact CE-CD1 3.46Å; M1-L71 HydrophobicContact CE-CD2 3.15Å; M1-L71 HydrophobicContact CE-CG 3.73Å; V3-L71 HydrophobicContact CG2-CD2 3.91Å; L59-L71 HydrophobicContact CB-CB 4.28Å; L59-L71 HydrophobicContact CD2-CD1 4.34Å; L59-L71 PolarHBondContact O-N 2.78Å; L71-F299 HydrophobicContact CD1-CD2 3.64Å; L71-F299 HydrophobicContact CD1-CE2 3.5Å; L71-F299 HydrophobicContact CD1-CZ 4.47Å; L71-F299 HydrophobicContact CG-CD2 4.48Å; L71-F299 HydrophobicContact CG-CE2 4.08Å; L71-A302 HydrophobicContact CD1-CB 4.38Å; L71-L303 HydrophobicContact CD1-CD1 4.33Å; L71-L303 HydrophobicContact CD1-CD2 4.13Å; L71-L303 HydrophobicContact CD1-CG 3.97Å
72K84.4Confident80Confident114 Ų11471.3 Ų71.350%0.49636%0.364SS..SBendtrans-133.1134.3178.3-170.1178.3175-1750109.5D56 L59 T70 L74D56-K72 VanDerWaalsContact OD2-CD 3.24Å; D56-K72 WeakPolarHBondContact OD2-CD 3.47Å; D56-K72 IonicContact OD2-NZ 2.7Å; D56-K72 PolarHBondContact OD2-NZ 3.38Å; L59-K72 HydrophobicContact CD1-CB 4.07Å; T70-K72 WeakPolarHBondContact CG2-O 3.45Å; T70-K72 PolarHBondContact OG1-N 2.91Å; T70-K72 VanDerWaalsContact OG1-N 3.12Å; T70-K72 PolarHBondContact OG1-O 2.85Å; K72-L74 PolarHBondContact O-N 2.93Å
73E86.6Confident80.2Confident126 Ų12676.3 Ų76.359%0.58938%0.383SS*.  trans-58.6131.2179.1-163.4171.9-172.600110.9Y4Y4-E73 HydrophobicContact CD1-CB 3.91Å; Y4-E73 HydrophobicContact CD1-CG 3.87Å; Y4-E73 HydrophobicContact CD2-CB 4.35Å; Y4-E73 HydrophobicContact CE1-CB 3.62Å; Y4-E73 HydrophobicContact CE1-CG 3.78Å; Y4-E73 HydrophobicContact CE2-CB 4.12Å; Y4-E73 HydrophobicContact CG-CB 4.26Å
74L85.8Confident80.6Confident14 Ų1473 Ų737%0.07337%0.365CS..  trans-73.9131175.1-61.9174.8000109.7Y6 I53 F54 T70 K72 L76Y6-L74 HydrophobicContact CD1-CD1 4.09Å; Y6-L74 HydrophobicContact CD2-CD1 3.77Å; Y6-L74 HydrophobicContact CD2-CG 4.37Å; Y6-L74 HydrophobicContact CE1-CB 4.18Å; Y6-L74 HydrophobicContact CE1-CD1 4.04Å; Y6-L74 HydrophobicContact CE1-CG 4.35Å; Y6-L74 HydrophobicContact CE2-CB 4.38Å; Y6-L74 HydrophobicContact CE2-CD1 3.71Å; Y6-L74 HydrophobicContact CE2-CG 3.8Å; Y6-L74 HydrophobicContact CG-CD1 3.97Å; Y6-L74 PolarHBondContact OH-N 3.33Å; I53-L74 HydrophobicContact CG2-CB 4.4Å; F54-L74 HydrophobicContact CD1-CD1 4.15Å; F54-L74 HydrophobicContact CD1-CD2 3.77Å; F54-L74 HydrophobicContact CE1-CD1 3.47Å; F54-L74 VanDerWaalsContact CE1-CD1 3.47Å; F54-L74 HydrophobicContact CE1-CD2 3.97Å; F54-L74 HydrophobicContact CE1-CG 4.39Å; F54-L74 HydrophobicContact CZ-CD1 4.12Å; T70-L74 HydrophobicContact CG2-CD2 4.33Å; T70-L74 HydrophobicContact CG2-CG 4.04Å; K72-L74 PolarHBondContact O-N 2.93Å; L74-L76 HydrophobicContact CB-CD2 3.85Å; L74-L76 HydrophobicContact CB-CG 3.98Å; L74-L76 HydrophobicContact CD1-CD2 4.31Å; L74-L76 PolarHBondContact O-N 2.87Å
75A82.1Confident81.3Confident84 Ų8476.4 Ų76.469%0.69437%0.374SS*.  trans-75.773.5174.100000111G77A75-G77 PolarHBondContact O-N 3.31Å
76L78.6Confident81.9Confident24 Ų2469.9 Ų69.913%0.12635%0.352CS..  trans-74.8-5.3-178.5-56.6176.9000113.6Y6 I53 L74 Y82 P100Y6-L76 HydrophobicContact CD1-CD1 3.88Å; Y6-L76 HydrophobicContact CE1-CD1 3.59Å; Y6-L76 HydrophobicContact CE1-CG 4.38Å; I53-L76 HydrophobicContact CG2-CD2 4.28Å; L74-L76 HydrophobicContact CB-CD2 3.85Å; L74-L76 HydrophobicContact CB-CG 3.98Å; L74-L76 HydrophobicContact CD1-CD2 4.31Å; L74-L76 PolarHBondContact O-N 2.87Å; L76-Y82 HydrophobicContact CD2-CG 4.44Å; L76-P100 HydrophobicContact CD1-CG 4.46Å
77G67.3Low81.8Confident61 Ų6173 Ų7363%0.62937%0.369SS*.G310 helixtrans70.2-170.7-17900000113.7A75 K79A75-G77 PolarHBondContact O-N 3.31Å; G77-K79 PolarHBondContact O-N 3.15Å
78R56.8Low81.2Confident263 Ų26372 Ų7299%0.99236%0.364SS*.G310 helixtrans-61-11.8-173-71.7-175.9-179.9174.7-0115.7
79K62.7Low80.2Confident175 Ų17575.5 Ų75.576%0.76139%0.387SS*.G310 helixtrans-87.3-8.8-172.1-70.6-171.5176.2-176.50114.3G77 E81G77-K79 PolarHBondContact O-N 3.15Å; K79-E81 PolarHBondContact O-N 3.24Å
80S78.9Confident79.2Confident86 Ų8677.4 Ų77.460%0.60140%0.402SS*.SBendtrans57.811.7-177.5-30.90000114.3P100S80-P100 WeakPolarHBondContact O-CD 3.24Å; S80-P100 WeakPolarHBondContact O-CG 3.03Å
81E86Confident78.7Confident58 Ų5880.1 Ų80.127%0.27143%0.43SS..SBendtrans-155.4149.2174.564.1173.5-142.900108.4K79 V98 K99K79-E81 PolarHBondContact O-N 3.24Å; E81-V98 CarbonylContact C-O 3.55Å; E81-V98 VanDerWaalsContact CA-O 3.3Å; E81-V98 WeakPolarHBondContact CA-O 3.28Å; E81-K99 HydrophobicContact CB-CG 3.93Å; E81-K99 WeakPolarHBondContact OE2-CE 3.43Å; E81-K99 IonicContact OE2-NZ 4Å; E81-K99 PolarHBondContact OE2-NZ 2.88Å
82Y86.6Confident78.5Confident35 Ų3583.2 Ų83.214%0.13744%0.442CS..EExtended strand (participates in β ladder)trans-113.5132.3173.3178.8-110.3000110.7L44 H50 I53 F54 L76 A84 T97 V98L44-Y82 HydrophobicContact CD2-CD1 4.47Å; L44-Y82 HydrophobicContact CD2-CE1 4.18Å; H50-Y82 VanDerWaalsContact CA-OH 3.32Å; H50-Y82 WeakPolarHBondContact CA-OH 3.29Å; H50-Y82 HydrophobicContact CB-CE1 4.4Å; H50-Y82 AromaticContact ND1-CZ 3.72Å; H50-Y82 PolarHBondContact ND1-OH 3.24Å; I53-Y82 HydrophobicContact CD1-CD1 4.28Å; I53-Y82 HydrophobicContact CD1-CD2 3.24Å; I53-Y82 HydrophobicContact CD1-CE1 4.08Å; I53-Y82 HydrophobicContact CD1-CE2 3.03Å; I53-Y82 HydrophobicContact CD1-CG 3.87Å; I53-Y82 VanDerWaalsContact CD1-CZ 3.46Å; I53-Y82 HydrophobicContact CG1-CE2 4.44Å; F54-Y82 HydrophobicContact CE2-CD1 4.31Å; F54-Y82 HydrophobicContact CE2-CE1 4.29Å; L76-Y82 HydrophobicContact CD2-CG 4.44Å; Y82-A84 HydrophobicContact CE1-CB 3.88Å; Y82-T97 CarbonylContact O-C 3.59Å; Y82-T97 WeakPolarHBondContact O-CA 3.22Å; Y82-V98 PolarHBondContact N-O 3.04Å; Y82-V98 PolarHBondContact O-N 3.2Å
83R87.6Confident78.5Confident139 Ų13979.8 Ų79.853%0.52544%0.436SS..EExtended strand (participates in β ladder)trans-114.8135.1174.7-94.7-177.3174174.5-0.9111.2T95 I96 T97R83-T95 HydrophobicContact CG-CG2 4.39Å; R83-I96 CarbonylContact C-O 3.53Å; R83-I96 VanDerWaalsContact CA-O 3.27Å; R83-I96 WeakPolarHBondContact CA-O 3.48Å; R83-T97 HydrophobicContact CG-CG2 4.04Å; R83-T97 PolarHBondContact NE-OG1 3.05Å
84A86.6Confident78.5Confident1 Ų173.9 Ų73.91%0.00841%0.408CS..EExtended strand (participates in β ladder)trans-131.1119173.700000109.8L44 H50 Y82 I96L44-A84 HydrophobicContact CD2-CB 4.1Å; H50-A84 VanDerWaalsContact CE1-CB 3.47Å; H50-A84 WeakPolarHBondContact CE1-CB 3.48Å; H50-A84 VanDerWaalsContact ND1-CB 3.34Å; H50-A84 WeakPolarHBondContact ND1-CB 3.35Å; Y82-A84 HydrophobicContact CE1-CB 3.88Å; A84-I96 HydrophobicContact CB-CB 4.28Å; A84-I96 HydrophobicContact CB-CD1 4.46Å; A84-I96 PolarHBondContact N-O 3.03Å; A84-I96 PolarHBondContact O-N 3.36Å
85D87.3Confident78.6Confident110 Ų11073.8 Ų73.859%0.58841%0.408SS*.EExtended strand (participates in β ladder)trans-92.7134.4172.3-65.4-51.4000110.2L94 T95D85-L94 WeakPolarHBondContact CA-O 3.5Å; D85-T95 VanDerWaalsContact OD1-CB 3.27Å; D85-T95 WeakPolarHBondContact OD1-CB 3.18Å; D85-T95 VanDerWaalsContact OD1-CG2 3.26Å; D85-T95 WeakPolarHBondContact OD1-CG2 3.49Å; D85-T95 PolarHBondContact OD1-OG1 3.34Å
86T85.7Confident78.9Confident19 Ų1969.8 Ų69.812%0.11738%0.375CS..EExtended strand (participates in β ladder)trans-149-171.7-179.7-170.40000109.4S43 L94 I96S43-T86 PolarHBondContact OG-OG1 3.32Å; S43-T86 VanDerWaalsContact OG-OG1 3.06Å; T86-L94 HydrophobicContact CG2-CB 4.01Å; T86-L94 HydrophobicContact CG2-CD2 3.35Å; T86-L94 HydrophobicContact CG2-CG 4.23Å; T86-L94 PolarHBondContact N-O 3.45Å; T86-L94 PolarHBondContact O-N 2.89Å; T86-I96 HydrophobicContact CG2-CD1 4.05Å; T86-I96 HydrophobicContact CG2-CG1 4.47Å
87V81.9Confident79.4Confident80 Ų8068.8 Ų68.849%0.48537%0.37SS..EExtended strand (participates in β ladder)trans-129.8132.9-176.7-147.10000109.3G91 K92V87-G91 WeakPolarHBondContact CG1-O 3.21Å; V87-K92 CarbonylContact C-O 3.51Å; V87-K92 WeakPolarHBondContact CA-O 3.38Å; V87-K92 VanDerWaalsContact CG1-O 3.28Å; V87-K92 WeakPolarHBondContact CG1-O 3.24Å
88T74.1Confident80.5Confident11 Ų1165.9 Ų65.97%0.06734%0.34CS..  trans-59.5160.617260.90000111V12 N90 G91 K92 L94V12-T88 HydrophobicContact CG1-CG2 4.2Å; V12-T88 HydrophobicContact CG2-CG2 4.36Å; T88-N90 PolarHBondContact O-N 2.9Å; T88-G91 PolarHBondContact O-N 3.27Å; T88-K92 HydrophobicContact CG2-CB 4.29Å; T88-K92 PolarHBondContact N-O 3.38Å; T88-K92 WeakPolarHBondContact OG1-CA 3.44Å; T88-K92 WeakPolarHBondContact OG1-CB 3.23Å; T88-K92 PolarHBondContact OG1-N 3.42Å; T88-K92 PolarHBondContact OG1-O 3.03Å; T88-L94 HydrophobicContact CG2-CB 4.13Å; T88-L94 HydrophobicContact CG2-CD1 3.72Å
89P66.2Low82.1Confident74 Ų7458 Ų5848%0.48131%0.313SS..THydrogen-bonded Turntrans-55.6-16.5174.3-25.634.6000114.8
90N69.3Low83.4Confident114 Ų11452.7 Ų52.761%0.6130%0.296SS*.THydrogen-bonded Turntrans-102.66.5-177.5-51.2-18.5000112.3T88T88-N90 PolarHBondContact O-N 2.9Å
91G76.6Confident83.8Confident58 Ų5850.8 Ų50.860%0.59828%0.283SS*.SBendtrans86.65.3175.500000116.1V87 T88V87-G91 WeakPolarHBondContact CG1-O 3.21Å; T88-G91 PolarHBondContact O-N 3.27Å
92K77.9Confident83.8Confident101 Ų10153 Ų5344%0.43930%0.304SS..  trans-81.7140.6174.7-58.8-178.1167.1-164.10111.9V12 V87 T88V12-K92 HydrophobicContact CG1-CB 4.28Å; V12-K92 HydrophobicContact CG1-CD 4.3Å; V87-K92 CarbonylContact C-O 3.51Å; V87-K92 WeakPolarHBondContact CA-O 3.38Å; V87-K92 VanDerWaalsContact CG1-O 3.28Å; V87-K92 WeakPolarHBondContact CG1-O 3.24Å; T88-K92 HydrophobicContact CG2-CB 4.29Å; T88-K92 PolarHBondContact N-O 3.38Å; T88-K92 WeakPolarHBondContact OG1-CA 3.44Å; T88-K92 WeakPolarHBondContact OG1-CB 3.23Å; T88-K92 PolarHBondContact OG1-N 3.42Å; T88-K92 PolarHBondContact OG1-O 3.03Å
93A83.5Confident83.9Confident43 Ų4355.1 Ų55.136%0.35532%0.318SS..EExtended strand (participates in β ladder)trans-60.7138.6173.100000111.2E13E13-A93 HydrophobicContact CB-CB 4.46Å; E13-A93 PolarHBondContact N-O 3.28Å; E13-A93 VanDerWaalsContact N-O 3.16Å
94L86.1Confident83.7Confident1 Ų153 Ų531%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-136.5121.7-178.5-176.3149.5000108.4I10 E11 V12 L36 V40 D85 T86 T88 I96I10-L94 HydrophobicContact CG2-CD1 3.99Å; I10-L94 HydrophobicContact CG2-CD2 4.2Å; I10-L94 HydrophobicContact CG2-CG 4.09Å; E11-L94 CarbonylContact O-C 3.55Å; E11-L94 WeakPolarHBondContact O-CA 3.44Å; V12-L94 HydrophobicContact CG2-CB 4.26Å; V12-L94 HydrophobicContact CG2-CD1 3.63Å; V12-L94 HydrophobicContact CG2-CG 3.85Å; L36-L94 HydrophobicContact CD2-CD1 3.74Å; L36-L94 HydrophobicContact CG-CD1 3.98Å; V40-L94 HydrophobicContact CG2-CD2 4.13Å; D85-L94 WeakPolarHBondContact CA-O 3.5Å; T86-L94 HydrophobicContact CG2-CB 4.01Å; T86-L94 HydrophobicContact CG2-CD2 3.35Å; T86-L94 HydrophobicContact CG2-CG 4.23Å; T86-L94 PolarHBondContact N-O 3.45Å; T86-L94 PolarHBondContact O-N 2.89Å; T88-L94 HydrophobicContact CG2-CB 4.13Å; T88-L94 HydrophobicContact CG2-CD1 3.72Å; L94-I96 HydrophobicContact CD2-CD1 3.88Å; L94-I96 HydrophobicContact CD2-CG1 3.34Å
95T88.9Confident83.5Confident12 Ų1259.1 Ų59.17%0.07434%0.341CS..EExtended strand (participates in β ladder)trans-106.2125.4175.5-58.50000108.7E11 R83 D85E11-T95 PolarHBondContact N-O 3.16Å; E11-T95 PolarHBondContact O-N 3.35Å; R83-T95 HydrophobicContact CG-CG2 4.39Å; D85-T95 VanDerWaalsContact OD1-CB 3.27Å; D85-T95 WeakPolarHBondContact OD1-CB 3.18Å; D85-T95 VanDerWaalsContact OD1-CG2 3.26Å; D85-T95 WeakPolarHBondContact OD1-CG2 3.49Å; D85-T95 PolarHBondContact OD1-OG1 3.34Å
96I88.5Confident82.8Confident0 Ų057.6 Ų57.60%033%0.332CS..EExtended strand (participates in β ladder)trans-104.6125.9176.5-49.3169.9000107.1I8 V40 L44 R83 A84 T86 L94 V98I8-I96 HydrophobicContact CG2-CG2 3.75Å; V40-I96 HydrophobicContact CB-CD1 4.19Å; V40-I96 HydrophobicContact CG1-CD1 4.1Å; V40-I96 HydrophobicContact CG1-CG2 4.08Å; V40-I96 HydrophobicContact CG2-CD1 3.94Å; V40-I96 HydrophobicContact CG2-CG1 4.03Å; L44-I96 HydrophobicContact CD1-CG2 4.05Å; L44-I96 HydrophobicContact CD2-CD1 4.22Å; L44-I96 HydrophobicContact CD2-CG2 4.1Å; L44-I96 HydrophobicContact CG-CD1 4.2Å; L44-I96 HydrophobicContact CG-CG2 4.31Å; R83-I96 CarbonylContact C-O 3.53Å; R83-I96 VanDerWaalsContact CA-O 3.27Å; R83-I96 WeakPolarHBondContact CA-O 3.48Å; A84-I96 HydrophobicContact CB-CB 4.28Å; A84-I96 HydrophobicContact CB-CD1 4.46Å; A84-I96 PolarHBondContact N-O 3.03Å; A84-I96 PolarHBondContact O-N 3.36Å; T86-I96 HydrophobicContact CG2-CD1 4.05Å; T86-I96 HydrophobicContact CG2-CG1 4.47Å; L94-I96 HydrophobicContact CD2-CD1 3.88Å; L94-I96 HydrophobicContact CD2-CG1 3.34Å; I96-V98 HydrophobicContact CG2-CG2 4.34Å
97T89.6Confident82.2Confident4 Ų460.2 Ų60.23%0.02535%0.346CS..EExtended strand (participates in β ladder)trans-116.9126.5172.6-50.70000109.1I8 S9 Y82 R83 K99I8-T97 CarbonylContact C-O 3.51Å; I8-T97 VanDerWaalsContact CA-O 3.31Å; I8-T97 WeakPolarHBondContact CA-O 3.36Å; S9-T97 PolarHBondContact N-O 3.13Å; S9-T97 PolarHBondContact O-N 3.24Å; Y82-T97 CarbonylContact O-C 3.59Å; Y82-T97 WeakPolarHBondContact O-CA 3.22Å; R83-T97 HydrophobicContact CG-CG2 4.04Å; R83-T97 PolarHBondContact NE-OG1 3.05Å; T97-K99 HydrophobicContact CG2-CD 4.47Å; T97-K99 HydrophobicContact CG2-CG 4.16Å
98V89.6Confident81.4Confident0 Ų059.3 Ų59.30%034%0.338CS..EExtended strand (participates in β ladder)trans-111.9122.4177.3-176.50000108.4Y6 N7 I8 L44 F54 I68 E81 Y82 I96Y6-V98 HydrophobicContact CD1-CG1 4.23Å; Y6-V98 HydrophobicContact CG-CG1 4.22Å; N7-V98 CarbonylContact O-C 3.52Å; N7-V98 WeakPolarHBondContact O-CA 3.43Å; I8-V98 HydrophobicContact CG1-CG2 4.45Å; L44-V98 HydrophobicContact CD1-CG2 4.12Å; L44-V98 HydrophobicContact CD2-CG2 4.43Å; F54-V98 HydrophobicContact CZ-CG2 4.33Å; I68-V98 HydrophobicContact CD1-CG1 4.44Å; E81-V98 CarbonylContact C-O 3.55Å; E81-V98 VanDerWaalsContact CA-O 3.3Å; E81-V98 WeakPolarHBondContact CA-O 3.28Å; Y82-V98 PolarHBondContact N-O 3.04Å; Y82-V98 PolarHBondContact O-N 3.2Å; I96-V98 HydrophobicContact CG2-CG2 4.34Å
99K89.9Confident80.9Confident96 Ų9664.6 Ų64.642%0.41736%0.362SS..EExtended strand (participates in β ladder)trans-124134.9-177.1-70.7-175.9172.7-163.60110.8Y6 N7 E81 T97Y6-K99 CarbonylContact C-O 3.57Å; Y6-K99 WeakPolarHBondContact CA-O 3.4Å; Y6-K99 WeakPolarHBondContact CB-O 3.38Å; N7-K99 PolarHBondContact N-O 3.07Å; N7-K99 PolarHBondContact O-N 3.39Å; E81-K99 HydrophobicContact CB-CG 3.93Å; E81-K99 WeakPolarHBondContact OE2-CE 3.43Å; E81-K99 IonicContact OE2-NZ 4Å; E81-K99 PolarHBondContact OE2-NZ 2.88Å; T97-K99 HydrophobicContact CG2-CD 4.47Å; T97-K99 HydrophobicContact CG2-CG 4.16Å
100P89.7Confident80.7Confident65 Ų6565.6 Ų65.642%0.42236%0.363SS..EExtended strand (participates in β ladder)trans-62.7143.6172.326-29.5000110.8Y6 L76 S80Y6-P100 VanDerWaalsContact CD1-CA 3.5Å; Y6-P100 HydrophobicContact CD1-CB 3.99Å; Y6-P100 HydrophobicContact CE1-CB 3.87Å; L76-P100 HydrophobicContact CD1-CG 4.46Å; S80-P100 WeakPolarHBondContact O-CD 3.24Å; S80-P100 WeakPolarHBondContact O-CG 3.03Å
101C88.4Confident80.1Confident46 Ų4661.8 Ų61.831%0.31134%0.344SS..  trans-121.3-179.7173.6-71.40000109.5H5 N7 N103H5-C101 HydrophobicContact CB-CB 4.07Å; H5-C101 WeakPolarHBondContact ND1-CB 3.08Å; H5-C101 PolarHBondContact O-N 2.77Å; N7-C101 VanDerWaalsContact CB-SG 3.53Å; C101-N103 PolarHBondContact O-N 2.55Å
102S86.4Confident79Confident104 Ų10461.7 Ų61.773%0.72733%0.329SS*.PPolyproline II helixtrans-59.4123.8173-47.70000110.2H5H5-S102 WeakPolarHBondContact CB-O 3.25Å
103N87.9Confident77.8Confident79 Ų7962.4 Ų62.442%0.42233%0.334SS..PPolyproline II helixtrans-65.3150.5175.8-60.9-22000110.5T2 V3 Y4 C101T2-N103 HydrophobicContact CG2-CB 3.82Å; V3-N103 WeakPolarHBondContact O-CA 3.37Å; Y4-N103 WeakPolarHBondContact CA-OD1 3.22Å; Y4-N103 WeakPolarHBondContact CD1-ND2 3.42Å; C101-N103 PolarHBondContact O-N 2.55Å
104F83.1Confident76.2Confident94 Ų9464.8 Ų64.841%0.41235%0.348SS..EExtended strand (participates in β ladder)trans-95.4130.3170.6-59.1-85.2000109.4T2 V3 H5 Y69T2-F104 CarbonylContact C-O 3.56Å; T2-F104 WeakPolarHBondContact CA-O 3.26Å; V3-F104 HydrophobicContact CB-CB 4.31Å; V3-F104 PolarHBondContact N-O 3.42Å; V3-F104 PolarHBondContact O-N 2.8Å; H5-F104 HydrophobicContact CB-CD2 3.94Å; H5-F104 HydrophobicContact CB-CE2 3.58Å; H5-F104 AromaticContact CG-CE2 3.52Å; H5-F104 AromaticContact ND1-CE2 3.55Å; H5-F104 AromaticContact ND1-CZ 3.87Å; Y69-F104 HydrophobicContact CD1-CD2 4.31Å; Y69-F104 HydrophobicContact CD1-CE2 4.06Å; Y69-F104 HydrophobicContact CE1-CD2 4.29Å; Y69-F104 AromaticContact CE1-CE2 3.62Å; Y69-F104 HydrophobicContact CE1-CE2 3.62Å; Y69-F104 HydrophobicContact CE1-CZ 4.36Å
105E82.3Confident74.2Confident131 Ų13168.8 Ų68.861%0.61237%0.369SS*.EExtended strand (participates in β ladder)trans-88.6109.6160.7-81.5-61.4147.800108.2M1 T2M1-E105 PolarHBondContact N-OE2 3.44Å; T2-E105 WeakPolarHBondContact CB-OE1 3.28Å; T2-E105 PolarHBondContact OG1-OE1 3.49Å
106L72.4Confident72Confident77 Ų7770.5 Ų70.540%0.40338%0.377SS..  trans-91.4118.5168.7-73.6172.3000108.4M1 V3 I108 V111M1-L106 PolarHBondContact N-O 3.45Å; M1-L106 PolarHBondContact O-N 2.73Å; V3-L106 HydrophobicContact CG2-CD1 3.51Å; V3-L106 HydrophobicContact CG2-CG 4.22Å; L106-I108 PolarHBondContact O-N 3.38Å; L106-V111 HydrophobicContact CB-CG2 3.99Å; L106-V111 HydrophobicContact CD1-CG2 4.1Å; L106-V111 HydrophobicContact CD2-CG2 3.75Å; L106-V111 HydrophobicContact CG-CG2 4.17Å
107N73.7Confident70Confident75 Ų7572 Ų7240%0.40139%0.386SS..  trans-69.6120.5157.9-172.7-8.7000107.1E109 D110 V111N107-E109 PolarHBondContact O-N 2.75Å; N107-E109 PolarHBondContact OD1-N 3.36Å; N107-D110 HydrophobicContact CB-CB 4.27Å; N107-D110 WeakPolarHBondContact CB-OD2 3.4Å; N107-D110 PolarHBondContact O-N 2.9Å; N107-V111 PolarHBondContact O-N 3.05Å; N107-V111 VanDerWaalsContact O-N 3.13Å
108I66.2Low67.7Low60 Ų6079.3 Ų79.331%0.30841%0.413SS..Hα-helixtrans-63.8-27.7-177.9-139.2152.6000110.4M1 L106 V111 I112 L303M1-I108 HydrophobicContact SD-CD1 3.94Å; L106-I108 PolarHBondContact O-N 3.38Å; I108-V111 PolarHBondContact O-N 2.8Å; I108-I112 HydrophobicContact CG2-CD1 4.05Å; I108-I112 VanDerWaalsContact O-CB 3.22Å; I108-I112 WeakPolarHBondContact O-CB 3.43Å; I108-I112 WeakPolarHBondContact O-CD1 3.03Å; I108-I112 WeakPolarHBondContact O-CG1 3.08Å; I108-I112 PolarHBondContact O-N 3.05Å; I108-L303 VanDerWaalsContact CD1-O 3.27Å; I108-L303 WeakPolarHBondContact CD1-O 3.35Å
109E62.1Low65.3Low123 Ų12381.4 Ų81.458%0.57543%0.427SS*.Hα-helixtrans-65.1-38.9172.6-76.2178.5149.700112.7N107 I112 Q113N107-E109 PolarHBondContact O-N 2.75Å; N107-E109 PolarHBondContact OD1-N 3.36Å; E109-I112 PolarHBondContact O-N 2.85Å; E109-Q113 WeakPolarHBondContact O-CB 3.34Å; E109-Q113 VanDerWaalsContact O-CG 3.3Å; E109-Q113 WeakPolarHBondContact O-CG 3.44Å; E109-Q113 PolarHBondContact O-N 3.5Å
110D62.1Low63Low95 Ų9582.2 Ų82.251%0.50844%0.443SS..Hα-helixtrans-69.9-38.7177.4-67.9-29.8000110.9N107 Q113 S114N107-D110 HydrophobicContact CB-CB 4.27Å; N107-D110 WeakPolarHBondContact CB-OD2 3.4Å; N107-D110 PolarHBondContact O-N 2.9Å; D110-Q113 PolarHBondContact O-N 2.86Å; D110-S114 VanDerWaalsContact O-CB 3.26Å; D110-S114 WeakPolarHBondContact O-CB 3.37Å; D110-S114 PolarHBondContact O-N 3.29Å; D110-S114 PolarHBondContact O-OG 3.22Å
111V56.9Low60.6Low34 Ų3487.5 Ų87.521%0.20646%0.461CS..Hα-helixtrans-62-49.2172.6176.50000109.6L106 N107 I108 Q113 S114 L115L106-V111 HydrophobicContact CB-CG2 3.99Å; L106-V111 HydrophobicContact CD1-CG2 4.1Å; L106-V111 HydrophobicContact CD2-CG2 3.75Å; L106-V111 HydrophobicContact CG-CG2 4.17Å; N107-V111 PolarHBondContact O-N 3.05Å; N107-V111 VanDerWaalsContact O-N 3.13Å; I108-V111 PolarHBondContact O-N 2.8Å; V111-Q113 PolarHBondContact O-N 3.5Å; V111-S114 PolarHBondContact O-N 2.83Å; V111-S114 PolarHBondContact O-OG 3.38Å; V111-L115 HydrophobicContact CG1-CD1 3.55Å; V111-L115 HydrophobicContact CG1-CG 4.38Å; V111-L115 WeakPolarHBondContact O-CB 3.33Å; V111-L115 WeakPolarHBondContact O-CD1 3.39Å; V111-L115 WeakPolarHBondContact O-CG 3.35Å; V111-L115 PolarHBondContact O-N 3.46Å
112I53.3Low58.3Low56 Ų5690.2 Ų90.229%0.28747%0.473SS..Hα-helixtrans-57.1-51.9176.1-73.2164.8000109.7I108 E109 S114 L115 M116I108-I112 HydrophobicContact CG2-CD1 4.05Å; I108-I112 VanDerWaalsContact O-CB 3.22Å; I108-I112 WeakPolarHBondContact O-CB 3.43Å; I108-I112 WeakPolarHBondContact O-CD1 3.03Å; I108-I112 WeakPolarHBondContact O-CG1 3.08Å; I108-I112 PolarHBondContact O-N 3.05Å; E109-I112 PolarHBondContact O-N 2.85Å; I112-S114 PolarHBondContact O-N 3.33Å; I112-L115 CarbonylContact O-C 3.59Å; I112-L115 PolarHBondContact O-N 2.85Å; I112-M116 HydrophobicContact CG2-CE 4.5Å; I112-M116 HydrophobicContact CG2-CG 3.87Å; I112-M116 HydrophobicContact CG2-SD 3.37Å; I112-M116 WeakPolarHBondContact CG2-SD 3.22Å; I112-M116 WeakPolarHBondContact O-CB 3.27Å; I112-M116 WeakPolarHBondContact O-CG 3.33Å; I112-M116 PolarHBondContact O-N 2.98Å
113Q53.4Low56.1Low115 Ų11593.3 Ų93.354%0.53748%0.481SS..Hα-helixtrans-59.5-40.3178.1-78.1-171.418.100113.5E109 D110 V111 L115 M116E109-Q113 WeakPolarHBondContact O-CB 3.34Å; E109-Q113 VanDerWaalsContact O-CG 3.3Å; E109-Q113 WeakPolarHBondContact O-CG 3.44Å; E109-Q113 PolarHBondContact O-N 3.5Å; D110-Q113 PolarHBondContact O-N 2.86Å; V111-Q113 PolarHBondContact O-N 3.5Å; Q113-L115 PolarHBondContact O-N 3.36Å; Q113-M116 HydrophobicContact CG-SD 4.34Å; Q113-M116 PolarHBondContact O-N 3.28Å
114S50.2Low53.4Low94 Ų94100.8 Ų100.866%0.65750%0.504SS*.Hα-helixtrans-69.4-22177.6730000113.2D110 V111 I112D110-S114 VanDerWaalsContact O-CB 3.26Å; D110-S114 WeakPolarHBondContact O-CB 3.37Å; D110-S114 PolarHBondContact O-N 3.29Å; D110-S114 PolarHBondContact O-OG 3.22Å; V111-S114 PolarHBondContact O-N 2.83Å; V111-S114 PolarHBondContact O-OG 3.38Å; I112-S114 PolarHBondContact O-N 3.33Å
115L44.3Very low51.1Low84 Ų8498.9 Ų98.944%0.4450%0.502SS..Hα-helixtrans-103.7-4.8-179.1-63.1172.1000113V111 I112 Q113 Q128V111-L115 HydrophobicContact CG1-CD1 3.55Å; V111-L115 HydrophobicContact CG1-CG 4.38Å; V111-L115 WeakPolarHBondContact O-CB 3.33Å; V111-L115 WeakPolarHBondContact O-CD1 3.39Å; V111-L115 WeakPolarHBondContact O-CG 3.35Å; V111-L115 PolarHBondContact O-N 3.46Å; I112-L115 CarbonylContact O-C 3.59Å; I112-L115 PolarHBondContact O-N 2.85Å; Q113-L115 PolarHBondContact O-N 3.36Å; L115-Q128 HydrophobicContact CB-CG 4.5Å; L115-Q128 VanDerWaalsContact O-CG 3.27Å; L115-Q128 WeakPolarHBondContact O-CG 3.13Å
116M43.1Very low49Very low48 Ų4895.5 Ų95.524%0.23649%0.493CS..PPolyproline II helixtrans-83.7138.4-173.9-89.616799.600113.2I112 Q113 R118 S126I112-M116 HydrophobicContact CG2-CE 4.5Å; I112-M116 HydrophobicContact CG2-CG 3.87Å; I112-M116 HydrophobicContact CG2-SD 3.37Å; I112-M116 WeakPolarHBondContact CG2-SD 3.22Å; I112-M116 WeakPolarHBondContact O-CB 3.27Å; I112-M116 WeakPolarHBondContact O-CG 3.33Å; I112-M116 PolarHBondContact O-N 2.98Å; Q113-M116 HydrophobicContact CG-SD 4.34Å; Q113-M116 PolarHBondContact O-N 3.28Å; M116-R118 HydrophobicContact CE-CG 4.43Å; M116-S126 WeakPolarHBondContact CE-OG 3.26Å; M116-S126 VanDerWaalsContact CG-CB 3.47Å
117V45.4Very low47.4Very low31 Ų3196 Ų9619%0.18850%0.496CS..BIsolated β-bridgetrans-102124.6147.4-171.80000107.8S119 G666 V668V117-S119 PolarHBondContact O-N 2.93Å; V117-G666 WeakPolarHBondContact CG1-O 3.38Å; V117-V668 VanDerWaalsContact CG1-O 3.28Å; V117-V668 WeakPolarHBondContact CG1-O 3.39Å
118R40.6Very low46.1Very low159 Ų15996.1 Ų96.160%0.649%0.494SS*.PPolyproline II helixtrans-80.1116.1175.3-72.2-171.3-179.1-168.8-0.1108.6M116M116-R118 HydrophobicContact CE-CG 4.43Å
119S39.6Very low45.2Very low43 Ų4395.8 Ų95.830%0.30150%0.5SS..PPolyproline II helixtrans-75.4139.5164176.60000108.7V117 E121V117-S119 PolarHBondContact O-N 2.93Å; S119-E121 PolarHBondContact O-N 2.93Å; S119-E121 PolarHBondContact OG-N 3.3Å
120P41.1Very low44.3Very low114 Ų11495 Ų9574%0.7450%0.499SS*.THydrogen-bonded Turntrans-65.1-20.1176.2-18.230.2000114.3
121E40.5Very low43.6Very low175 Ų17594.1 Ų94.182%0.81849%0.494SS*.THydrogen-bonded Turntrans-94.9-2-166.7-71.5-168.6163.700115.9S119S119-E121 PolarHBondContact O-N 2.93Å; S119-E121 PolarHBondContact OG-N 3.3Å
122D39.3Very low43Very low103 Ų10393.5 Ų93.555%0.55149%0.491SS*.  trans-157.8110171.6-109.4-36000111.3R124 S125D122-R124 PolarHBondContact O-N 3.24Å; D122-S125 WeakPolarHBondContact CB-OG 3.34Å; D122-S125 PolarHBondContact O-N 2.9Å
123D39.6Very low42.7Very low169 Ų16996.2 Ų96.290%0.90451%0.505SS*.THydrogen-bonded Turntrans-60-4.5173.4-98.5-22.7000113.2
124R32.4Very low42.6Very low236 Ų23691.7 Ų91.789%0.89149%0.485SS*.THydrogen-bonded Turntrans-115.9-9.7-176.3-66.5-173.5-178.9-176.11.3115.6D122D122-R124 PolarHBondContact O-N 3.24Å
125S35.2Very low42.8Very low55 Ų5589.1 Ų89.139%0.38547%0.466SS..  trans-11990.6179.668.40000112D122 L127D122-S125 WeakPolarHBondContact CB-OG 3.34Å; D122-S125 PolarHBondContact O-N 2.9Å; S125-L127 PolarHBondContact O-N 2.85Å
126S37Very low43.5Very low60 Ų6092.3 Ų92.342%0.4248%0.476SS..  trans-71.2106.6168.47.10000111.6M116M116-S126 WeakPolarHBondContact CE-OG 3.26Å; M116-S126 VanDerWaalsContact CG-CB 3.47Å
127L39.6Very low44.7Very low88 Ų8893.5 Ų93.546%0.46149%0.486SS..BIsolated β-bridgetrans-93.3120.6174.2-78.4163.1000109.9S125 M312S125-L127 PolarHBondContact O-N 2.85Å; L127-M312 HydrophobicContact CB-CE 3.89Å
128Q47Very low45.7Very low77 Ų7793.7 Ų93.736%0.3649%0.491SS..  trans-92.4133.1166.9-55.6-171.1-7.300109.4L115 L130L115-Q128 HydrophobicContact CB-CG 4.5Å; L115-Q128 VanDerWaalsContact O-CG 3.27Å; L115-Q128 WeakPolarHBondContact O-CG 3.13Å; Q128-L130 PolarHBondContact O-N 2.81Å
129A47.1Very low47.4Very low53 Ų5387.2 Ų87.244%0.43847%0.469SS..  trans-85.596.5163.400000108.5D131 M312 P667A129-D131 PolarHBondContact O-N 2.83Å; A129-M312 HydrophobicContact CB-CE 4.17Å; A129-P667 HydrophobicContact CB-CB 4.45Å
130L42.2Very low49.3Very low105 Ų10590.6 Ų90.655%0.5548%0.479SS..  trans-68.3103.5165.8-169.878.3000107.5Q128 V132 I291Q128-L130 PolarHBondContact O-N 2.81Å; L130-V132 HydrophobicContact CD2-CG2 3.73Å; L130-V132 HydrophobicContact CG-CG2 4.11Å; L130-V132 PolarHBondContact O-N 2.87Å; L130-I291 HydrophobicContact CD2-CD1 4.16Å
131D46.8Very low51.2Low77 Ų7786.1 Ų86.141%0.41245%0.448SS..  trans-72.981.8175.8-137.6-9.3000108A129 L133 H638 T639A129-D131 PolarHBondContact O-N 2.83Å; D131-L133 PolarHBondContact O-N 2.83Å; D131-H638 HydrophobicContact CB-CB 4.26Å; D131-H638 VanDerWaalsContact CG-CB 3.47Å; D131-H638 VanDerWaalsContact OD1-C 3.22Å; D131-H638 VanDerWaalsContact OD2-C 3.28Å; D131-H638 WeakPolarHBondContact OD2-CB 3.45Å; D131-T639 PolarHBondContact OD1-N 3.41Å; D131-T639 PolarHBondContact OD2-N 2.76Å
132V45.8Very low53.1Low22 Ų2281.3 Ų81.313%0.13344%0.438CS..  trans-61.3112.6180175.50000107.7L130 T134 I284 V288 I291L130-V132 HydrophobicContact CD2-CG2 3.73Å; L130-V132 HydrophobicContact CG-CG2 4.11Å; L130-V132 PolarHBondContact O-N 2.87Å; V132-T134 PolarHBondContact O-N 3.08Å; V132-I284 HydrophobicContact CB-CG2 4.3Å; V132-I284 HydrophobicContact CG1-CG2 4.49Å; V132-V288 HydrophobicContact CB-CG2 4.16Å; V132-V288 HydrophobicContact CG1-CG2 4.18Å; V132-V288 HydrophobicContact CG2-CG2 3.68Å; V132-I291 HydrophobicContact CB-CD1 4.49Å; V132-I291 HydrophobicContact CG1-CD1 3.95Å; V132-I291 HydrophobicContact CG2-CD1 3.77Å
133L46Very low55.3Low113 Ų11378.4 Ų78.459%0.59243%0.432SS*.  trans-41105.2-178.9-91.8159.5000110.3D131 T135D131-L133 PolarHBondContact O-N 2.83Å; L133-T135 PolarHBondContact O-N 3.39Å
134T50.8Low57.8Low19 Ų1971.5 Ų71.512%0.11740%0.401CS..  trans-49140175.258.20000109.8V132 K136 R640V132-T134 PolarHBondContact O-N 3.08Å; T134-K136 PolarHBondContact O-N 3.33Å; T134-R640 HydrophobicContact CG2-CG 4.19Å
135T55.6Low60.8Low40 Ų4062.4 Ų62.425%0.24537%0.373CS..  trans-46.3113174.538.50000111L133 K287L133-T135 PolarHBondContact O-N 3.39Å; T135-K287 HydrophobicContact CG2-CD 4.05Å
136K59.2Low63.7Low151 Ų15159.8 Ų59.866%0.65736%0.355SS*.  trans-98.1116.1173.4-72.9-175-177.5173.20109.1T134T134-K136 PolarHBondContact O-N 3.33Å
137T67.3Low66.4Low74 Ų7458 Ų5845%0.45434%0.34SS..  trans-85131.4172.8-48.50000109.4S273T137-S273 WeakPolarHBondContact CB-OG 3.49Å
138A66.5Low69Low35 Ų3559.6 Ų59.629%0.28935%0.345SS..  trans-135.9142.2174.600000110.3F140A138-F140 HydrophobicContact CB-CE2 3.9Å; A138-F140 HydrophobicContact CB-CZ 4.48Å; A138-F140 WeakPolarHBondContact O-CD2 3.37Å
139P75.9Confident71.1Confident22 Ų2257 Ų5714%0.14334%0.336CS..  trans-78.1138.5177.431.8-35.2000111.1R255 V256 L261 I269P139-R255 WeakPolarHBondContact O-CA 3.49Å; P139-V256 HydrophobicContact CB-CB 4.05Å; P139-V256 HydrophobicContact CB-CG2 4.42Å; P139-V256 HydrophobicContact CG-CB 4.07Å; P139-V256 PolarHBondContact O-N 3.23Å; P139-L261 HydrophobicContact CB-CD2 4.03Å; P139-L261 HydrophobicContact CG-CD1 4.13Å; P139-L261 HydrophobicContact CG-CD2 4.16Å; P139-I269 HydrophobicContact CB-CD1 3.77Å; P139-I269 HydrophobicContact CG-CD1 4.06Å
140F79.4Confident73.2Confident114 Ų11454.7 Ų54.750%0.532%0.316SS..BIsolated β-bridgetrans-126.2150.2174.6-69.7-92.6000109.9A138 G253 Q254 R255A138-F140 HydrophobicContact CB-CE2 3.9Å; A138-F140 HydrophobicContact CB-CZ 4.48Å; A138-F140 WeakPolarHBondContact O-CD2 3.37Å; F140-G253 VanDerWaalsContact CD1-C 3.4Å; F140-G253 WeakPolarHBondContact CD1-O 3.09Å; F140-G253 WeakPolarHBondContact CE1-O 3.13Å; F140-Q254 CarbonylContact C-O 3.59Å; F140-Q254 VanDerWaalsContact CA-O 3.26Å; F140-Q254 WeakPolarHBondContact CA-O 3.4Å; F140-Q254 VanDerWaalsContact CD1-C 3.46Å; F140-R255 HydrophobicContact CD1-CB 4.21Å; F140-R255 HydrophobicContact CE1-CB 3.96Å
141F81.2Confident75.6Confident20 Ų2050.3 Ų50.39%0.08830%0.295CS..PPolyproline II helixtrans-65.4134166.7-73.5-79.2000108.5G143 F176 V179 V250 Q254 V256 K260F141-G143 PolarHBondContact O-N 3.05Å; F141-F176 HydrophobicContact CE1-CD1 4.3Å; F141-F176 HydrophobicContact CE1-CE1 4.28Å; F141-V179 HydrophobicContact CD2-CG2 4.18Å; F141-V179 HydrophobicContact CE1-CG2 4Å; F141-V179 HydrophobicContact CE2-CG2 3.63Å; F141-V179 HydrophobicContact CZ-CG2 3.53Å; F141-V250 HydrophobicContact CB-CG1 3.95Å; F141-Q254 HydrophobicContact CB-CB 4.46Å; F141-Q254 HydrophobicContact CD2-CB 4.06Å; F141-Q254 PolarHBondContact N-O 3.02Å; F141-V256 HydrophobicContact CD1-CG2 4.2Å; F141-V256 HydrophobicContact CD2-CG2 3.68Å; F141-V256 HydrophobicContact CE1-CG2 4.29Å; F141-V256 HydrophobicContact CE2-CB 4.4Å; F141-V256 HydrophobicContact CE2-CG2 3.79Å; F141-V256 HydrophobicContact CG-CG2 3.89Å; F141-V256 HydrophobicContact CZ-CG1 4.41Å; F141-V256 HydrophobicContact CZ-CG2 4.1Å; F141-K260 HydrophobicContact CZ-CD 4.44Å
142A80.8Confident77.6Confident74 Ų7452.8 Ų52.861%0.61231%0.308SS*.PPolyproline II helixtrans-60.2129.3167.800000108.3V250A142-V250 WeakPolarHBondContact O-CG1 3.43Å
143G85.3Confident79.7Confident42 Ų4253 Ų5343%0.43331%0.308SS..PPolyproline II helixtrans-75.1146.8168.900000109.5F141 V250F141-G143 PolarHBondContact O-N 3.05Å; G143-V250 WeakPolarHBondContact CA-O 2.7Å
144G92.5Very high81.8Confident24 Ų2448.3 Ų48.325%0.24728%0.283CS..EExtended strand (participates in β ladder)trans139.9-169.1-17700000112.7L146 N249 V250G144-L146 PolarHBondContact O-N 2.83Å; G144-N249 CarbonylContact O-C 3.31Å; G144-N249 VanDerWaalsContact O-C 3.31Å; G144-N249 WeakPolarHBondContact O-CA 3.2Å; G144-V250 PolarHBondContact N-O 3.17Å; G144-V250 VanDerWaalsContact N-O 3.15Å; G144-V250 PolarHBondContact O-N 3.37Å
145P96.1Very high83.6Confident46 Ų4655 Ų5530%0.29931%0.313SS..EExtended strand (participates in β ladder)trans-56.8128.3179-24.835.7000112.5L147 E148 S149 N249P145-L147 PolarHBondContact O-N 2.92Å; P145-E148 HydrophobicContact CB-CG 4.13Å; P145-E148 HydrophobicContact CG-CG 4.46Å; P145-E148 PolarHBondContact O-N 3.22Å; P145-S149 PolarHBondContact O-N 2.91Å; P145-N249 WeakPolarHBondContact CA-OD1 3.33Å
146L95.8Very high85.1Confident0 Ų055.3 Ų55.30%031%0.313CS..Hα-helixtrans-61.5-31.5174.9179.863.4000110.9G144 E148 S149 V150 F176 I192 I245 L248 V250G144-L146 PolarHBondContact O-N 2.83Å; L146-E148 VanDerWaalsContact C-N 3.34Å; L146-E148 PolarHBondContact O-N 3.49Å; L146-S149 WeakPolarHBondContact O-CB 3.42Å; L146-S149 PolarHBondContact O-N 2.69Å; L146-V150 HydrophobicContact CD1-CG2 4.38Å; L146-V150 HydrophobicContact CG-CG2 4.21Å; L146-V150 WeakPolarHBondContact O-CB 3.21Å; L146-V150 VanDerWaalsContact O-CG2 3.3Å; L146-V150 WeakPolarHBondContact O-CG2 3.44Å; L146-V150 PolarHBondContact O-N 2.87Å; L146-F176 HydrophobicContact CD1-CD1 3.97Å; L146-F176 HydrophobicContact CD1-CE1 4.24Å; L146-F176 HydrophobicContact CD1-CG 4.27Å; L146-I192 HydrophobicContact CD2-CD1 3.88Å; L146-I245 HydrophobicContact CB-CG2 4.34Å; L146-I245 HydrophobicContact CD2-CG1 4.43Å; L146-I245 HydrophobicContact CD2-CG2 4.06Å; L146-I245 HydrophobicContact CG-CG2 3.97Å; L146-L248 HydrophobicContact CB-CB 4.01Å; L146-L248 VanDerWaalsContact CB-O 3.27Å; L146-L248 WeakPolarHBondContact CB-O 3.47Å; L146-L248 HydrophobicContact CD2-CB 3.98Å; L146-L248 HydrophobicContact CD2-CD1 3.84Å; L146-L248 PolarHBondContact N-O 3.04Å; L146-V250 HydrophobicContact CB-CG2 4.23Å; L146-V250 HydrophobicContact CD1-CG2 3.71Å
147L94.4Very high86.4Confident21 Ų2158 Ų5811%0.1133%0.328CS..Hα-helixtrans-59.6-41.8179.4-168.365.2000112.7P145 V150 A151 I159 Y230 L233 I245 E246P145-L147 PolarHBondContact O-N 2.92Å; L147-V150 PolarHBondContact O-N 3.43Å; L147-A151 PolarHBondContact O-N 2.81Å; L147-I159 HydrophobicContact CD1-CD1 4.16Å; L147-I159 HydrophobicContact CD1-CG2 4.1Å; L147-I159 HydrophobicContact CD2-CD1 3.55Å; L147-I159 HydrophobicContact CG-CD1 3.52Å; L147-I159 HydrophobicContact CG-CG1 4.38Å; L147-Y230 HydrophobicContact CD2-CD2 3.83Å; L147-Y230 HydrophobicContact CD2-CE2 3.73Å; L147-L233 HydrophobicContact CD1-CD1 3.53Å; L147-I245 HydrophobicContact CB-CG2 4.3Å; L147-I245 HydrophobicContact CD1-CG2 3.94Å; L147-E246 HydrophobicContact CD2-CB 3.89Å
148E92.7Very high87.4Confident122 Ų12262.1 Ų62.157%0.5734%0.342SS*.Hα-helixtrans-65.2-46.2175.1-68.6172-172.600110.8P145 L146 V150 A151 D152P145-E148 HydrophobicContact CB-CG 4.13Å; P145-E148 HydrophobicContact CG-CG 4.46Å; P145-E148 PolarHBondContact O-N 3.22Å; L146-E148 VanDerWaalsContact C-N 3.34Å; L146-E148 PolarHBondContact O-N 3.49Å; E148-V150 PolarHBondContact O-N 2.97Å; E148-A151 PolarHBondContact O-N 3.24Å; E148-A151 VanDerWaalsContact O-N 3.12Å; E148-D152 PolarHBondContact O-N 3.49Å
149S91.1Very high88.6Confident23 Ų2362.3 Ų62.316%0.16134%0.338CS..Hα-helixtrans-60.1-34.3176.2-65.20000112.7P145 L146 E153 F176P145-S149 PolarHBondContact O-N 2.91Å; L146-S149 WeakPolarHBondContact O-CB 3.42Å; L146-S149 PolarHBondContact O-N 2.69Å; S149-E153 WeakPolarHBondContact O-CB 3.27Å; S149-E153 PolarHBondContact O-N 3.11Å; S149-F176 WeakPolarHBondContact O-CZ 3.3Å
150V92.7Very high89.2Confident5 Ų563 Ų633%0.0334%0.342CS..Hα-helixtrans-69.6-43.4175.7163.30000111L146 L147 E148 E153 L154 L172 F176 I245L146-V150 HydrophobicContact CD1-CG2 4.38Å; L146-V150 HydrophobicContact CG-CG2 4.21Å; L146-V150 WeakPolarHBondContact O-CB 3.21Å; L146-V150 VanDerWaalsContact O-CG2 3.3Å; L146-V150 WeakPolarHBondContact O-CG2 3.44Å; L146-V150 PolarHBondContact O-N 2.87Å; L147-V150 PolarHBondContact O-N 3.43Å; E148-V150 PolarHBondContact O-N 2.97Å; V150-E153 PolarHBondContact O-N 2.85Å; V150-L154 HydrophobicContact CG1-CD1 4.1Å; V150-L154 WeakPolarHBondContact O-CB 3.42Å; V150-L154 WeakPolarHBondContact O-CG 3.39Å; V150-L154 PolarHBondContact O-N 2.91Å; V150-L172 HydrophobicContact CB-CD2 4.38Å; V150-L172 HydrophobicContact CG1-CD1 4.03Å; V150-L172 HydrophobicContact CG1-CD2 3.99Å; V150-L172 HydrophobicContact CG2-CD1 4.33Å; V150-L172 HydrophobicContact CG2-CD2 4.04Å; V150-F176 HydrophobicContact CG2-CD2 4.45Å; V150-F176 HydrophobicContact CG2-CE2 4.1Å; V150-I245 HydrophobicContact CG2-CD1 4.5Å; V150-I245 HydrophobicContact CG2-CG2 4.05Å
151A92.5Very high89.8Confident13 Ų1363.6 Ų63.611%0.10735%0.345CS..Hα-helixtrans-60.4-46.1176.100000111.3L147 E148 L154 Q155 L156 I159L147-A151 PolarHBondContact O-N 2.81Å; E148-A151 PolarHBondContact O-N 3.24Å; E148-A151 VanDerWaalsContact O-N 3.12Å; A151-L154 CarbonylContact O-C 3.57Å; A151-L154 PolarHBondContact O-N 3.14Å; A151-Q155 WeakPolarHBondContact O-CA 3.37Å; A151-Q155 PolarHBondContact O-N 2.57Å; A151-L156 HydrophobicContact CB-CB 4.49Å; A151-L156 PolarHBondContact O-N 2.84Å; A151-I159 HydrophobicContact CB-CG1 4.33Å
152D88.8Confident90.2Very high128 Ų12869.7 Ų69.768%0.68437%0.373SS*.Hα-helixtrans-61.4-47.1176.8-74.3-13.5000112.2E148 L154 Q155E148-D152 PolarHBondContact O-N 3.49Å; D152-L154 VanDerWaalsContact C-N 3.29Å; D152-L154 PolarHBondContact O-N 3.32Å; D152-Q155 PolarHBondContact O-N 3.11Å; D152-Q155 VanDerWaalsContact O-N 3.14Å
153E88.4Confident90.8Very high27 Ų2770.1 Ų70.113%0.12637%0.37CS..Hα-helixtrans-63.1-37.7-179178.456.7-135.400111.8S149 V150 Q155 R171 L172 R175 F176S149-E153 WeakPolarHBondContact O-CB 3.27Å; S149-E153 PolarHBondContact O-N 3.11Å; V150-E153 PolarHBondContact O-N 2.85Å; E153-Q155 VanDerWaalsContact C-N 3.32Å; E153-R171 HydrophobicContact CG-CG 4.42Å; E153-R171 PolarHBondContact O-NE 3.38Å; E153-R171 PolarHBondContact O-NH2 3.09Å; E153-R171 IonicContact OE1-CZ 3.67Å; E153-R171 IonicContact OE1-NE 2.86Å; E153-R171 PolarHBondContact OE1-NE 3.34Å; E153-R171 IonicContact OE1-NH2 3.73Å; E153-L172 HydrophobicContact CG-CD2 4.49Å; E153-R175 HydrophobicContact CG-CB 4.11Å; E153-R175 HydrophobicContact CG-CG 3.98Å; E153-R175 WeakPolarHBondContact OE2-CD 3.24Å; E153-R175 WeakPolarHBondContact OE2-CG 3.48Å; E153-R175 IonicContact OE2-CZ 3.94Å; E153-R175 IonicContact OE2-NE 3.29Å; E153-R175 PolarHBondContact OE2-NE 3.25Å; E153-F176 HydrophobicContact CB-CE2 3.91Å; E153-F176 HydrophobicContact CB-CZ 4.08Å; E153-F176 HydrophobicContact CG-CE2 4.09Å
154L90.9Very high91.1Very high15 Ų1568.8 Ų68.88%0.07935%0.353CS..Hα-helixtrans-87.8-2178.7-62.1-178.3000113.2V150 A151 D152 L156 L164 Q168 R171 L172V150-L154 HydrophobicContact CG1-CD1 4.1Å; V150-L154 WeakPolarHBondContact O-CB 3.42Å; V150-L154 WeakPolarHBondContact O-CG 3.39Å; V150-L154 PolarHBondContact O-N 2.91Å; A151-L154 CarbonylContact O-C 3.57Å; A151-L154 PolarHBondContact O-N 3.14Å; D152-L154 VanDerWaalsContact C-N 3.29Å; D152-L154 PolarHBondContact O-N 3.32Å; L154-L156 VanDerWaalsContact C-N 3.26Å; L154-L156 HydrophobicContact CB-CD1 3.77Å; L154-L156 HydrophobicContact CB-CD2 4.39Å; L154-L156 HydrophobicContact CB-CG 3.68Å; L154-L156 HydrophobicContact CD1-CD1 3.98Å; L154-L156 PolarHBondContact O-N 3.06Å; L154-L164 HydrophobicContact CD1-CD1 3.53Å; L154-L164 HydrophobicContact CD1-CD2 4.38Å; L154-Q168 HydrophobicContact CD1-CB 4.15Å; L154-Q168 HydrophobicContact CD1-CG 4.47Å; L154-Q168 HydrophobicContact CD2-CB 4.01Å; L154-Q168 HydrophobicContact CD2-CG 4.17Å; L154-R171 HydrophobicContact CD2-CB 4.23Å; L154-R171 HydrophobicContact CD2-CG 4.31Å; L154-L172 HydrophobicContact CD1-CD1 4.44Å; L154-L172 HydrophobicContact CD1-CD2 4.01Å; L154-L172 HydrophobicContact CD1-CG 4.35Å; L154-L172 HydrophobicContact CD2-CD2 4.02Å; L154-L172 HydrophobicContact CD2-CG 4.49Å; L154-L172 HydrophobicContact CG-CD2 3.89Å
155Q88.3Confident91.1Very high158 Ų15871.4 Ų71.474%0.73836%0.364SS*.THydrogen-bonded Turntrans54.641.9-177-60.1175.8-8.800112.4A151 D152 E153A151-Q155 WeakPolarHBondContact O-CA 3.37Å; A151-Q155 PolarHBondContact O-N 2.57Å; D152-Q155 PolarHBondContact O-N 3.11Å; D152-Q155 VanDerWaalsContact O-N 3.14Å; E153-Q155 VanDerWaalsContact C-N 3.32Å
156L87.8Confident90.8Very high47 Ų4774 Ų7425%0.24637%0.372CS..  trans-85.3125.5-179.8-62.2170.8000109.4A151 L154 Q158 P160A151-L156 HydrophobicContact CB-CB 4.49Å; A151-L156 PolarHBondContact O-N 2.84Å; L154-L156 VanDerWaalsContact C-N 3.26Å; L154-L156 HydrophobicContact CB-CD1 3.77Å; L154-L156 HydrophobicContact CB-CD2 4.39Å; L154-L156 HydrophobicContact CB-CG 3.68Å; L154-L156 HydrophobicContact CD1-CD1 3.98Å; L154-L156 PolarHBondContact O-N 3.06Å; L156-Q158 PolarHBondContact O-N 2.82Å; L156-P160 HydrophobicContact CD1-CG 4.4Å
157Q85.7Confident90.5Very high208 Ų20881.2 Ų81.297%0.97240%0.404SS*.SBendtrans-66.3-31.9171.2-71.6-173.9-18.900111.9
158Q88.8Confident90.4Very high161 Ų16182.4 Ų82.475%0.75241%0.409SS*.SBendtrans-143.2149.1176.862.8-175.48.600110.4L156 P160L156-Q158 PolarHBondContact O-N 2.82Å; Q158-P160 WeakPolarHBondContact O-CD 3.34Å
159I90.4Very high90.5Very high39 Ų3976.6 Ų76.620%0.238%0.382CS..  trans-72.5121.7178.2-60.5160.8000108.4L147 A151 Y230 L233L147-I159 HydrophobicContact CD1-CD1 4.16Å; L147-I159 HydrophobicContact CD1-CG2 4.1Å; L147-I159 HydrophobicContact CD2-CD1 3.55Å; L147-I159 HydrophobicContact CG-CD1 3.52Å; L147-I159 HydrophobicContact CG-CG1 4.38Å; A151-I159 HydrophobicContact CB-CG1 4.33Å; I159-Y230 HydrophobicContact CB-CD1 4.26Å; I159-Y230 HydrophobicContact CB-CE1 3.74Å; I159-Y230 HydrophobicContact CD1-CE2 4.21Å; I159-Y230 HydrophobicContact CG2-CD1 3.51Å; I159-Y230 HydrophobicContact CG2-CD2 4.27Å; I159-Y230 HydrophobicContact CG2-CE1 3.51Å; I159-Y230 HydrophobicContact CG2-CE2 4.27Å; I159-Y230 HydrophobicContact CG2-CG 3.9Å; I159-L233 HydrophobicContact CG2-CD1 3.77Å
160P89.5Confident90.5Very high35 Ų3579.2 Ų79.223%0.22739%0.394CS..  trans-71.7147.7-176.928.7-34.4000111.4L156 Q158 E162 L164 L233L156-P160 HydrophobicContact CD1-CG 4.4Å; Q158-P160 WeakPolarHBondContact O-CD 3.34Å; P160-E162 VanDerWaalsContact C-N 3.31Å; P160-L164 HydrophobicContact CG-CD2 3.63Å; P160-L233 HydrophobicContact CG-CD2 4.17Å
161F91.7Very high90.3Very high128 Ų12882.7 Ų82.756%0.56141%0.407SS*.SBendtrans-85-9.1167.1-68.5-80.7000112.5K229 Y230 N232F161-K229 HydrophobicContact CE1-CG 4.47Å; F161-K229 WeakPolarHBondContact CE1-O 3.48Å; F161-Y230 HydrophobicContact CD1-CD1 4.17Å; F161-Y230 HydrophobicContact CD1-CE1 4.44Å; F161-Y230 HydrophobicContact CE1-CD1 4.11Å; F161-Y230 HydrophobicContact CE1-CE1 4.01Å; F161-Y230 HydrophobicContact CZ-CE1 4.16Å; F161-N232 WeakPolarHBondContact O-CB 3.45Å; F161-N232 PolarHBondContact O-ND2 2.84Å
162E90.8Very high90.3Very high147 Ų14782 Ų8269%0.68740%0.401SS*.SBendtrans-92.5157178.3-63.8177.3-15700111.5P160P160-E162 VanDerWaalsContact C-N 3.31Å
163P91.7Very high90.5Very high83 Ų8378.4 Ų78.454%0.53938%0.38SS..PPolyproline II helixtrans-59.2141.8173.7-21.733.1000113.1T199 N232P163-T199 HydrophobicContact CB-CG2 4.37Å; P163-T199 HydrophobicContact CG-CG2 4.34Å; P163-N232 WeakPolarHBondContact CA-O 3.31Å; P163-N232 HydrophobicContact CG-CB 4.25Å
164L92.3Very high90.3Very high15 Ų1583.8 Ų83.88%0.07941%0.409CS..PPolyproline II helixtrans-73.9144.5173-63.1-173.1000111.1L154 P160 Q168 V169 L172 L233 P234L154-L164 HydrophobicContact CD1-CD1 3.53Å; L154-L164 HydrophobicContact CD1-CD2 4.38Å; P160-L164 HydrophobicContact CG-CD2 3.63Å; L164-Q168 HydrophobicContact CB-CB 4.15Å; L164-V169 HydrophobicContact CB-CG2 4.14Å; L164-L172 HydrophobicContact CD1-CD1 4.06Å; L164-L233 HydrophobicContact CD1-CD2 4.36Å; L164-L233 HydrophobicContact CD2-CD2 4.31Å; L164-L233 HydrophobicContact CG-CD2 4.03Å; L164-P234 HydrophobicContact CB-CG 4.29Å; L164-P234 HydrophobicContact CD1-CG 3.77Å; L164-P234 HydrophobicContact CG-CG 4.21Å
165T92Very high90.1Very high78 Ų7884.8 Ų84.848%0.47941%0.411SS..PPolyproline II helixtrans-64.4156.5175.363.30000111.8F167 Q168 V169T165-F167 PolarHBondContact O-N 2.79Å; T165-Q168 PolarHBondContact O-N 2.89Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.35Å; T165-Q168 PolarHBondContact OG1-N 2.91Å; T165-Q168 PolarHBondContact OG1-OE1 3.33Å; T165-V169 WeakPolarHBondContact O-CG2 3.38Å; T165-V169 PolarHBondContact O-N 2.58Å
166Q90.9Very high90.2Very high101 Ų10177.5 Ų77.547%0.47238%0.377SS..Hα-helixtrans-54.6-37.5175.5-175.165.157.600112.5V169 N170Q166-V169 PolarHBondContact O-N 2.72Å; Q166-N170 PolarHBondContact NE2-OD1 3.43Å; Q166-N170 WeakPolarHBondContact O-CB 3.48Å; Q166-N170 PolarHBondContact O-N 3.32Å; Q166-N170 PolarHBondContact O-ND2 3.42Å
167F89.1Confident90.3Very high151 Ų15180.7 Ų80.766%0.66239%0.389SS*.Hα-helixtrans-62.4-46.3177177.8-97.5000111.8T165 N170 R171T165-F167 PolarHBondContact O-N 2.79Å; F167-N170 PolarHBondContact O-N 2.98Å; F167-R171 PolarHBondContact O-N 3.39Å
168Q93.2Very high90.4Very high46 Ų4672.4 Ų72.422%0.21536%0.359CS..Hα-helixtrans-63.2-44.1176.2-72.1165.5-47.300111.1L154 L164 T165 N170 R171 L172L154-Q168 HydrophobicContact CD1-CB 4.15Å; L154-Q168 HydrophobicContact CD1-CG 4.47Å; L154-Q168 HydrophobicContact CD2-CB 4.01Å; L154-Q168 HydrophobicContact CD2-CG 4.17Å; L164-Q168 HydrophobicContact CB-CB 4.15Å; T165-Q168 PolarHBondContact O-N 2.89Å; T165-Q168 WeakPolarHBondContact OG1-CG 3.35Å; T165-Q168 PolarHBondContact OG1-N 2.91Å; T165-Q168 PolarHBondContact OG1-OE1 3.33Å; Q168-N170 VanDerWaalsContact C-N 3.33Å; Q168-N170 PolarHBondContact O-N 2.96Å; Q168-R171 WeakPolarHBondContact O-CB 3.48Å; Q168-R171 PolarHBondContact O-N 2.6Å; Q168-R171 VanDerWaalsContact O-N 3.1Å; Q168-L172 WeakPolarHBondContact O-CG 3.45Å; Q168-L172 PolarHBondContact O-N 3.27Å
169V93.8Very high90.4Very high1 Ų164.9 Ų64.91%0.00632%0.324CS..Hα-helixtrans-60.5-43.2176.4176.30000111.1L164 T165 Q166 R171 L172 K173 F195 T197 P234L164-V169 HydrophobicContact CB-CG2 4.14Å; T165-V169 WeakPolarHBondContact O-CG2 3.38Å; T165-V169 PolarHBondContact O-N 2.58Å; Q166-V169 PolarHBondContact O-N 2.72Å; V169-R171 VanDerWaalsContact C-N 3.27Å; V169-R171 PolarHBondContact O-N 3.06Å; V169-L172 WeakPolarHBondContact O-CB 3.4Å; V169-L172 PolarHBondContact O-N 3Å; V169-L172 VanDerWaalsContact O-N 3.12Å; V169-K173 WeakPolarHBondContact O-CG 3.32Å; V169-K173 PolarHBondContact O-N 3.21Å; V169-F195 HydrophobicContact CG1-CB 4.04Å; V169-T197 HydrophobicContact CB-CG2 4.32Å; V169-T197 HydrophobicContact CG1-CG2 4.25Å; V169-T197 HydrophobicContact CG2-CG2 4.17Å; V169-P234 HydrophobicContact CG2-CB 4.02Å; V169-P234 HydrophobicContact CG2-CG 4.07Å
170N90.3Very high90.4Very high77 Ų7766.3 Ų66.341%0.41233%0.329SS..Hα-helixtrans-61.2-36.6175.7-72.3-13.7000112.2Q166 F167 Q168 K173 L174Q166-N170 PolarHBondContact NE2-OD1 3.43Å; Q166-N170 WeakPolarHBondContact O-CB 3.48Å; Q166-N170 PolarHBondContact O-N 3.32Å; Q166-N170 PolarHBondContact O-ND2 3.42Å; F167-N170 PolarHBondContact O-N 2.98Å; Q168-N170 VanDerWaalsContact C-N 3.33Å; Q168-N170 PolarHBondContact O-N 2.96Å; N170-K173 WeakPolarHBondContact O-CB 3.31Å; N170-K173 PolarHBondContact O-N 3.32Å; N170-L174 PolarHBondContact O-N 3.06Å
171R89.5Confident90.7Very high78 Ų7864.6 Ų64.629%0.29432%0.318SS..Hα-helixtrans-64.5-41173.6-168.8171.4171.8178.3-2111.8E153 L154 F167 Q168 V169 L174 R175E153-R171 HydrophobicContact CG-CG 4.42Å; E153-R171 PolarHBondContact O-NE 3.38Å; E153-R171 PolarHBondContact O-NH2 3.09Å; E153-R171 IonicContact OE1-CZ 3.67Å; E153-R171 IonicContact OE1-NE 2.86Å; E153-R171 PolarHBondContact OE1-NE 3.34Å; E153-R171 IonicContact OE1-NH2 3.73Å; L154-R171 HydrophobicContact CD2-CB 4.23Å; L154-R171 HydrophobicContact CD2-CG 4.31Å; F167-R171 PolarHBondContact O-N 3.39Å; Q168-R171 WeakPolarHBondContact O-CB 3.48Å; Q168-R171 PolarHBondContact O-N 2.6Å; Q168-R171 VanDerWaalsContact O-N 3.1Å; V169-R171 VanDerWaalsContact C-N 3.27Å; V169-R171 PolarHBondContact O-N 3.06Å; R171-L174 PolarHBondContact O-N 2.96Å; R171-R175 PolarHBondContact O-N 2.92Å
172L92.7Very high90.9Very high0 Ų061.2 Ų61.20%030%0.303CS..Hα-helixtrans-62.4-42.5173-60.2-173000112.2V150 E153 L154 L164 Q168 V169 L174 R175 F176 F195 P234 I245V150-L172 HydrophobicContact CB-CD2 4.38Å; V150-L172 HydrophobicContact CG1-CD1 4.03Å; V150-L172 HydrophobicContact CG1-CD2 3.99Å; V150-L172 HydrophobicContact CG2-CD1 4.33Å; V150-L172 HydrophobicContact CG2-CD2 4.04Å; E153-L172 HydrophobicContact CG-CD2 4.49Å; L154-L172 HydrophobicContact CD1-CD1 4.44Å; L154-L172 HydrophobicContact CD1-CD2 4.01Å; L154-L172 HydrophobicContact CD1-CG 4.35Å; L154-L172 HydrophobicContact CD2-CD2 4.02Å; L154-L172 HydrophobicContact CD2-CG 4.49Å; L154-L172 HydrophobicContact CG-CD2 3.89Å; L164-L172 HydrophobicContact CD1-CD1 4.06Å; Q168-L172 WeakPolarHBondContact O-CG 3.45Å; Q168-L172 PolarHBondContact O-N 3.27Å; V169-L172 WeakPolarHBondContact O-CB 3.4Å; V169-L172 PolarHBondContact O-N 3Å; V169-L172 VanDerWaalsContact O-N 3.12Å; L172-L174 PolarHBondContact O-N 3.42Å; L172-R175 PolarHBondContact O-N 3.49Å; L172-F176 HydrophobicContact CB-CD2 4.39Å; L172-F176 HydrophobicContact CD2-CD2 4.05Å; L172-F176 HydrophobicContact CD2-CE2 3.89Å; L172-F176 PolarHBondContact O-N 3.12Å; L172-F195 HydrophobicContact CB-CD1 4.44Å; L172-F195 HydrophobicContact CB-CD2 4.22Å; L172-F195 HydrophobicContact CB-CE2 4.36Å; L172-F195 HydrophobicContact CB-CG 4.27Å; L172-F195 HydrophobicContact CD1-CD1 4.42Å; L172-P234 HydrophobicContact CD1-CG 4.2Å; L172-I245 HydrophobicContact CD1-CD1 4.41Å
173K91.6Very high91.1Very high52 Ų5254.2 Ų54.223%0.22627%0.271CS..Hα-helixtrans-57.6-48.7174.6-66.1179.3-173.7-124.40111V169 N170 R175 K177 D194 F195V169-K173 WeakPolarHBondContact O-CG 3.32Å; V169-K173 PolarHBondContact O-N 3.21Å; N170-K173 WeakPolarHBondContact O-CB 3.31Å; N170-K173 PolarHBondContact O-N 3.32Å; K173-R175 VanDerWaalsContact C-N 3.26Å; K173-R175 PolarHBondContact O-N 2.81Å; K173-K177 WeakPolarHBondContact O-CB 3.45Å; K173-K177 PolarHBondContact O-N 3.15Å; K173-K177 VanDerWaalsContact O-N 3.14Å; K173-D194 WeakPolarHBondContact CD-OD1 3.14Å; K173-D194 WeakPolarHBondContact CE-OD1 3.32Å; K173-D194 VanDerWaalsContact CG-OD1 3.29Å; K173-D194 WeakPolarHBondContact CG-OD1 3.5Å; K173-D194 VanDerWaalsContact NZ-CG 3.29Å; K173-D194 IonicContact NZ-OD1 3.86Å; K173-D194 PolarHBondContact NZ-OD1 3.47Å; K173-D194 IonicContact NZ-OD2 2.73Å; K173-D194 PolarHBondContact NZ-OD2 3.12Å; K173-F195 WeakPolarHBondContact CE-O 3.29Å; K173-F195 HydrophobicContact CG-CB 4.07Å; K173-F195 HydrophobicContact CG-CD2 4.31Å; K173-F195 PolarHBondContact NZ-O 3.46Å
174L84.8Confident91.3Very high140 Ų14054.2 Ų54.273%0.73327%0.265SS*.Hα-helixtrans-58.7-40.8-180-166.373.5000111.6N170 R171 L172 K260N170-L174 PolarHBondContact O-N 3.06Å; R171-L174 PolarHBondContact O-N 2.96Å; L172-L174 PolarHBondContact O-N 3.42Å; L174-K260 WeakPolarHBondContact O-CE 3.23Å
175R86.7Confident91.2Very high35 Ų3555.7 Ų55.713%0.13227%0.271CS..Hα-helixtrans-80.9-53.2-175.8-167.267.3165131.916.5113.4E153 R171 L172 K173 K260E153-R175 HydrophobicContact CG-CB 4.11Å; E153-R175 HydrophobicContact CG-CG 3.98Å; E153-R175 WeakPolarHBondContact OE2-CD 3.24Å; E153-R175 WeakPolarHBondContact OE2-CG 3.48Å; E153-R175 IonicContact OE2-CZ 3.94Å; E153-R175 IonicContact OE2-NE 3.29Å; E153-R175 PolarHBondContact OE2-NE 3.25Å; R171-R175 PolarHBondContact O-N 2.92Å; L172-R175 PolarHBondContact O-N 3.49Å; K173-R175 VanDerWaalsContact C-N 3.26Å; K173-R175 PolarHBondContact O-N 2.81Å; R175-K260 PolarHBondContact NH1-O 2.81Å; R175-K260 WeakPolarHBondContact O-CD 3.04Å; R175-K260 WeakPolarHBondContact O-CE 3.48Å; R175-K260 PolarHBondContact O-NZ 3.32Å
176F91.8Very high91.2Very high5 Ų555 Ų552%0.02227%0.267CS..Hα-helixtrans-103-9.1-164.6-61.5-70.4000114.6F141 L146 S149 V150 E153 L172 G178 V179 F195F141-F176 HydrophobicContact CE1-CD1 4.3Å; F141-F176 HydrophobicContact CE1-CE1 4.28Å; L146-F176 HydrophobicContact CD1-CD1 3.97Å; L146-F176 HydrophobicContact CD1-CE1 4.24Å; L146-F176 HydrophobicContact CD1-CG 4.27Å; S149-F176 WeakPolarHBondContact O-CZ 3.3Å; V150-F176 HydrophobicContact CG2-CD2 4.45Å; V150-F176 HydrophobicContact CG2-CE2 4.1Å; E153-F176 HydrophobicContact CB-CE2 3.91Å; E153-F176 HydrophobicContact CB-CZ 4.08Å; E153-F176 HydrophobicContact CG-CE2 4.09Å; L172-F176 HydrophobicContact CB-CD2 4.39Å; L172-F176 HydrophobicContact CD2-CD2 4.05Å; L172-F176 HydrophobicContact CD2-CE2 3.89Å; L172-F176 PolarHBondContact O-N 3.12Å; F176-G178 PolarHBondContact O-N 3.31Å; F176-V179 HydrophobicContact CB-CG2 4.47Å; F176-V179 HydrophobicContact CD1-CG2 4.38Å; F176-V179 VanDerWaalsContact O-CB 3.26Å; F176-V179 WeakPolarHBondContact O-CB 3.5Å; F176-V179 VanDerWaalsContact O-CG2 3.3Å; F176-V179 WeakPolarHBondContact O-CG2 3.21Å; F176-V179 PolarHBondContact O-N 3.44Å; F176-F195 HydrophobicContact CB-CE2 3.64Å; F176-F195 HydrophobicContact CB-CZ 3.74Å; F176-F195 HydrophobicContact CG-CZ 4.47Å
177K89.6Confident91.1Very high115 Ų11554.9 Ų54.950%0.527%0.27SS..THydrogen-bonded Turntrans-57.8128.2171.4-177.8169.3179169.80110.4K173 T193 K260K173-K177 WeakPolarHBondContact O-CB 3.45Å; K173-K177 PolarHBondContact O-N 3.15Å; K173-K177 VanDerWaalsContact O-N 3.14Å; K177-T193 WeakPolarHBondContact CD-O 3.31Å; K177-T193 WeakPolarHBondContact CE-O 3.43Å; K177-T193 WeakPolarHBondContact CG-O 3.21Å; K177-K260 PolarHBondContact O-NZ 3.13Å
178G87Confident91.2Very high34 Ų3451.8 Ų51.835%0.35126%0.257SS..THydrogen-bonded Turntrans87.5-2.4-17700000115.5F176 K191 I192F176-G178 PolarHBondContact O-N 3.31Å; G178-K191 WeakPolarHBondContact O-CE 3.41Å; G178-K191 WeakPolarHBondContact O-CG 3.33Å; G178-I192 PolarHBondContact N-O 2.89Å
179V90Very high91.1Very high2 Ų257 Ų571%0.01228%0.275CS..  trans-75.9134.8175.2176.90000110F141 F176 V181 K191 I192 V250F141-V179 HydrophobicContact CD2-CG2 4.18Å; F141-V179 HydrophobicContact CE1-CG2 4Å; F141-V179 HydrophobicContact CE2-CG2 3.63Å; F141-V179 HydrophobicContact CZ-CG2 3.53Å; F176-V179 HydrophobicContact CB-CG2 4.47Å; F176-V179 HydrophobicContact CD1-CG2 4.38Å; F176-V179 VanDerWaalsContact O-CB 3.26Å; F176-V179 WeakPolarHBondContact O-CB 3.5Å; F176-V179 VanDerWaalsContact O-CG2 3.3Å; F176-V179 WeakPolarHBondContact O-CG2 3.21Å; F176-V179 PolarHBondContact O-N 3.44Å; V179-V181 HydrophobicContact CG1-CG1 4.43Å; V179-K191 WeakPolarHBondContact O-CA 3.44Å; V179-I192 PolarHBondContact O-N 3.35Å; V179-V250 HydrophobicContact CG1-CG1 3.86Å; V179-V250 HydrophobicContact CG1-CG2 4.48Å
180K90.2Very high91Very high69 Ų6957.4 Ų57.430%0.328%0.277SS..EExtended strand (participates in β ladder)trans-80.3131.9172.2-56.3-178.6-179.4-177.40109.8E35 F190 L251 Q254E35-K180 IonicContact OE1-NZ 2.79Å; E35-K180 PolarHBondContact OE1-NZ 3.46Å; E35-K180 IonicContact OE2-NZ 2.98Å; K180-F190 CarbonylContact C-O 3.49Å; K180-F190 VanDerWaalsContact CA-O 3.25Å; K180-F190 WeakPolarHBondContact CA-O 3.3Å; K180-L251 HydrophobicContact CB-CD1 3.85Å; K180-L251 PolarHBondContact O-N 3.15Å; K180-L251 VanDerWaalsContact O-N 3.13Å; K180-Q254 VanDerWaalsContact CB-OE1 3.29Å; K180-Q254 PolarHBondContact O-NE2 3.11Å
181V95.5Very high91Very high0 Ų059.1 Ų59.10%028%0.28CS..EExtended strand (participates in β ladder)trans-129.2161.8178.5-64.60000110.8V179 R189 F190 I192 L248 N249 V250V179-V181 HydrophobicContact CG1-CG1 4.43Å; V181-R189 CarbonylContact O-C 3.46Å; V181-R189 WeakPolarHBondContact O-CA 3.18Å; V181-F190 HydrophobicContact CG2-CD1 4.07Å; V181-F190 HydrophobicContact CG2-CD2 3.85Å; V181-F190 HydrophobicContact CG2-CE1 3.76Å; V181-F190 HydrophobicContact CG2-CE2 3.52Å; V181-F190 HydrophobicContact CG2-CG 4.12Å; V181-F190 HydrophobicContact CG2-CZ 3.47Å; V181-F190 VanDerWaalsContact CG2-CZ 3.47Å; V181-F190 PolarHBondContact N-O 3.07Å; V181-F190 PolarHBondContact O-N 2.91Å; V181-I192 HydrophobicContact CG1-CD1 3.71Å; V181-I192 HydrophobicContact CG1-CG1 4.11Å; V181-I192 HydrophobicContact CG2-CD1 4.33Å; V181-I192 HydrophobicContact CG2-CG1 3.91Å; V181-L248 HydrophobicContact CB-CB 4.38Å; V181-L248 HydrophobicContact CG2-CD1 4.28Å; V181-L248 HydrophobicContact CG2-CD2 4.2Å; V181-N249 CarbonylContact C-O 3.38Å; V181-N249 WeakPolarHBondContact CA-O 3.33Å; V181-N249 WeakPolarHBondContact CB-O 3.26Å; V181-V250 HydrophobicContact CG1-CG2 4.45Å
182K95Very high91.3Very high57 Ų5755.4 Ų55.425%0.24827%0.266CS..EExtended strand (participates in β ladder)trans-116.5127.1171.1-166.2-176.180.4165.60109.1N187 H188 R189 N249 L251K182-N187 HydrophobicContact CD-CB 4.24Å; K182-N187 WeakPolarHBondContact CE-OD1 3.23Å; K182-N187 WeakPolarHBondContact CG-O 3.45Å; K182-N187 PolarHBondContact NZ-OD1 2.62Å; K182-H188 CarbonylContact C-O 3.55Å; K182-H188 WeakPolarHBondContact CA-O 3.41Å; K182-R189 HydrophobicContact CB-CG 4.36Å; K182-R189 HydrophobicContact CG-CG 4.05Å; K182-N249 PolarHBondContact N-O 3.14Å; K182-N249 PolarHBondContact O-N 3.07Å; K182-L251 HydrophobicContact CB-CD2 3.94Å
183A95.7Very high91.3Very high0 Ų058.3 Ų58.30%028%0.284CS..EExtended strand (participates in β ladder)trans-69.813116800000110.3N187 H188 F190 L247 L248A183-N187 WeakPolarHBondContact O-CA 3.02Å; A183-N187 PolarHBondContact O-N 2.97Å; A183-H188 HydrophobicContact CB-CB 4.35Å; A183-H188 PolarHBondContact N-O 2.98Å; A183-F190 HydrophobicContact CB-CE1 4.43Å; A183-L247 WeakPolarHBondContact CA-O 3.42Å; A183-L248 HydrophobicContact CB-CD2 4.22Å
184I94.8Very high91.5Very high82 Ų8258.3 Ų58.342%0.42129%0.287SS..THydrogen-bonded Turntrans-68.5-43.3-175.5-59.1169.9000110.8T186 L247I184-T186 PolarHBondContact O-N 3.32Å; I184-L247 WeakPolarHBondContact CG1-O 3.34Å; I184-L247 PolarHBondContact N-O 2.78Å
185H91.8Very high92Very high46 Ų4651.7 Ų51.721%0.21325%0.252CS..THydrogen-bonded Turntrans-71.3-23.5-173.960.7-79.5000114.7F220 Y224 I226H185-F220 AromaticContact CD2-CE1 3.91Å; H185-F220 AromaticContact CE1-CE1 3.45Å; H185-F220 VanDerWaalsContact CE1-CE1 3.45Å; H185-F220 WeakPolarHBondContact CE1-CE1 3.49Å; H185-F220 AromaticContact CE1-CZ 3.8Å; H185-F220 AromaticContact ND1-CE1 3.76Å; H185-F220 AromaticContact NE2-CE1 3.59Å; H185-F220 AromaticContact NE2-CZ 3.97Å; H185-Y224 AromaticContact CD2-CE1 3.87Å; H185-Y224 AromaticContact CD2-CE2 3.82Å; H185-Y224 AromaticContact CD2-CZ 3.66Å; H185-I226 HydrophobicContact CB-CD1 3.67Å
186T91.7Very high92.3Very high64 Ų6451 Ų5139%0.39325%0.251SS..THydrogen-bonded Turntrans-126.5-5-176.145.90000113.9I184 H188 Y224I184-T186 PolarHBondContact O-N 3.32Å; T186-H188 PolarHBondContact O-N 3.03Å; T186-H188 WeakPolarHBondContact OG1-CB 3.32Å; T186-Y224 HydrophobicContact CG2-CE1 4.1Å
187N88.5Confident92.2Very high98 Ų9853.7 Ų53.752%0.52427%0.268SS..  trans56.910.4-167.1-68.2-58000115K182 A183 R189K182-N187 HydrophobicContact CD-CB 4.24Å; K182-N187 WeakPolarHBondContact CE-OD1 3.23Å; K182-N187 WeakPolarHBondContact CG-O 3.45Å; K182-N187 PolarHBondContact NZ-OD1 2.62Å; A183-N187 WeakPolarHBondContact O-CA 3.02Å; A183-N187 PolarHBondContact O-N 2.97Å; N187-R189 PolarHBondContact O-N 3.36Å
188H90.4Very high92.3Very high86 Ų8650.6 Ų50.640%0.39826%0.258SS..  trans-64.7128.1-178.4-175.942000111.3K182 A183 T186 K238K182-H188 CarbonylContact C-O 3.55Å; K182-H188 WeakPolarHBondContact CA-O 3.41Å; A183-H188 HydrophobicContact CB-CB 4.35Å; A183-H188 PolarHBondContact N-O 2.98Å; T186-H188 PolarHBondContact O-N 3.03Å; T186-H188 WeakPolarHBondContact OG1-CB 3.32Å; H188-K238 PolarHBondContact NE2-NZ 3.36Å
189R92.3Very high92.8Very high156 Ų15649.3 Ų49.359%0.58924%0.243SC*.EExtended strand (participates in β ladder)trans-100.5134179.9-63.5179.5-174.7-175.10.5110.5V181 K182 N187 L251V181-R189 CarbonylContact O-C 3.46Å; V181-R189 WeakPolarHBondContact O-CA 3.18Å; K182-R189 HydrophobicContact CB-CG 4.36Å; K182-R189 HydrophobicContact CG-CG 4.05Å; N187-R189 PolarHBondContact O-N 3.36Å; R189-L251 HydrophobicContact CG-CD1 4.33Å
190F90.9Very high93Very high10 Ų1049.3 Ų49.34%0.04424%0.243CC..EExtended strand (participates in β ladder)trans-156.5164.1178.565.1-87.9000113.5K180 V181 A183 I192 K238 F243 L248K180-F190 CarbonylContact C-O 3.49Å; K180-F190 VanDerWaalsContact CA-O 3.25Å; K180-F190 WeakPolarHBondContact CA-O 3.3Å; V181-F190 HydrophobicContact CG2-CD1 4.07Å; V181-F190 HydrophobicContact CG2-CD2 3.85Å; V181-F190 HydrophobicContact CG2-CE1 3.76Å; V181-F190 HydrophobicContact CG2-CE2 3.52Å; V181-F190 HydrophobicContact CG2-CG 4.12Å; V181-F190 HydrophobicContact CG2-CZ 3.47Å; V181-F190 VanDerWaalsContact CG2-CZ 3.47Å; V181-F190 PolarHBondContact N-O 3.07Å; V181-F190 PolarHBondContact O-N 2.91Å; A183-F190 HydrophobicContact CB-CE1 4.43Å; F190-I192 HydrophobicContact CE2-CG1 4.36Å; F190-K238 HydrophobicContact CB-CD 3.41Å; F190-K238 VanDerWaalsContact CB-CD 3.41Å; F190-K238 HydrophobicContact CB-CG 4.14Å; F190-K238 VanDerWaalsContact CB-NZ 3.32Å; F190-K238 HydrophobicContact CD2-CB 3.69Å; F190-K238 HydrophobicContact CD2-CD 3.89Å; F190-K238 HydrophobicContact CD2-CG 3.92Å; F190-K238 HydrophobicContact CE2-CB 4.03Å; F190-K238 HydrophobicContact CG-CB 4.44Å; F190-K238 HydrophobicContact CG-CD 3.79Å; F190-K238 HydrophobicContact CG-CG 4.33Å; F190-F243 HydrophobicContact CE1-CD1 4.25Å; F190-F243 HydrophobicContact CE1-CD2 4.28Å; F190-F243 HydrophobicContact CE1-CE1 4.26Å; F190-F243 HydrophobicContact CE1-CE2 4.29Å; F190-F243 HydrophobicContact CE1-CG 4.27Å; F190-F243 HydrophobicContact CE1-CZ 4.29Å; F190-F243 AromaticContact CE2-CD2 3.96Å; F190-F243 HydrophobicContact CE2-CD2 3.96Å; F190-F243 HydrophobicContact CE2-CE2 4.21Å; F190-F243 HydrophobicContact CZ-CB 4.22Å; F190-F243 HydrophobicContact CZ-CD1 4.16Å; F190-F243 AromaticContact CZ-CD2 3.58Å; F190-F243 HydrophobicContact CZ-CD2 3.58Å; F190-F243 HydrophobicContact CZ-CE1 4.46Å; F190-F243 AromaticContact CZ-CE2 3.93Å; F190-F243 HydrophobicContact CZ-CE2 3.93Å; F190-F243 AromaticContact CZ-CG 3.72Å; F190-F243 HydrophobicContact CZ-CG 3.72Å; F190-F243 HydrophobicContact CZ-CZ 4.36Å; F190-L248 HydrophobicContact CE1-CD2 3.66Å; F190-L248 HydrophobicContact CZ-CD1 4.05Å; F190-L248 HydrophobicContact CZ-CD2 3.5Å; F190-L248 HydrophobicContact CZ-CG 4.45Å
191K91.6Very high93.3Very high113 Ų11348.8 Ų48.849%0.49124%0.244SC..EExtended strand (participates in β ladder)trans-95.8130.1172.9-176.2176.8-74.2175.80109.7G178 V179 T193G178-K191 WeakPolarHBondContact O-CE 3.41Å; G178-K191 WeakPolarHBondContact O-CG 3.33Å; V179-K191 WeakPolarHBondContact O-CA 3.44Å; K191-T193 PolarHBondContact O-N 3.35Å
192I94.5Very high93.3Very high0 Ų053 Ų530%027%0.269CS..  trans-66.7125.2173.7-60.1174.1000108.8L146 G178 V179 V181 F190 D194 F195 A236L146-I192 HydrophobicContact CD2-CD1 3.88Å; G178-I192 PolarHBondContact N-O 2.89Å; V179-I192 PolarHBondContact O-N 3.35Å; V181-I192 HydrophobicContact CG1-CD1 3.71Å; V181-I192 HydrophobicContact CG1-CG1 4.11Å; V181-I192 HydrophobicContact CG2-CD1 4.33Å; V181-I192 HydrophobicContact CG2-CG1 3.91Å; F190-I192 HydrophobicContact CE2-CG1 4.36Å; I192-D194 VanDerWaalsContact CG2-O 3.31Å; I192-D194 WeakPolarHBondContact CG2-O 3.5Å; I192-F195 HydrophobicContact CD1-CE2 4.47Å; I192-F195 HydrophobicContact CD1-CZ 3.99Å; I192-F195 HydrophobicContact CG2-CD2 4.25Å; I192-F195 HydrophobicContact CG2-CE2 3.73Å; I192-F195 HydrophobicContact CG2-CZ 4.13Å; I192-A236 HydrophobicContact CD1-CB 4.37Å; I192-A236 HydrophobicContact CG1-CB 4.44Å; I192-A236 HydrophobicContact CG2-CB 4.43Å
193T93.5Very high93.2Very high61 Ų6155.1 Ų55.137%0.37428%0.276SS..  trans-95.7-31.6177.656.10000112.6K177 K191 I237 K238 G239K177-T193 WeakPolarHBondContact CD-O 3.31Å; K177-T193 WeakPolarHBondContact CE-O 3.43Å; K177-T193 WeakPolarHBondContact CG-O 3.21Å; K191-T193 PolarHBondContact O-N 3.35Å; T193-I237 PolarHBondContact N-O 3.12Å; T193-I237 PolarHBondContact OG1-O 3.15Å; T193-K238 WeakPolarHBondContact OG1-CA 3.32Å; T193-G239 PolarHBondContact OG1-N 3.02Å
194D94.4Very high93.2Very high51 Ų5163.7 Ų63.727%0.27331%0.308SS..EExtended strand (participates in β ladder)trans-162.2178.5177.6-150.1-12.4000111.9K173 I192 I237K173-D194 WeakPolarHBondContact CD-OD1 3.14Å; K173-D194 WeakPolarHBondContact CE-OD1 3.32Å; K173-D194 VanDerWaalsContact CG-OD1 3.29Å; K173-D194 WeakPolarHBondContact CG-OD1 3.5Å; K173-D194 VanDerWaalsContact NZ-CG 3.29Å; K173-D194 IonicContact NZ-OD1 3.86Å; K173-D194 PolarHBondContact NZ-OD1 3.47Å; K173-D194 IonicContact NZ-OD2 2.73Å; K173-D194 PolarHBondContact NZ-OD2 3.12Å; I192-D194 VanDerWaalsContact CG2-O 3.31Å; I192-D194 WeakPolarHBondContact CG2-O 3.5Å; D194-I237 HydrophobicContact CB-CB 4.11Å; D194-I237 HydrophobicContact CB-CG1 4.43Å; D194-I237 PolarHBondContact N-O 3.34Å; D194-I237 WeakPolarHBondContact O-CB 3.2Å; D194-I237 PolarHBondContact O-N 2.81Å
195F95.7Very high93Very high1 Ų163.4 Ų63.40%0.00430%0.304CS..EExtended strand (participates in β ladder)trans-122143.5163.1-70.4-98.1000109.5V169 L172 K173 F176 I192 L235 A236 I245V169-F195 HydrophobicContact CG1-CB 4.04Å; L172-F195 HydrophobicContact CB-CD1 4.44Å; L172-F195 HydrophobicContact CB-CD2 4.22Å; L172-F195 HydrophobicContact CB-CE2 4.36Å; L172-F195 HydrophobicContact CB-CG 4.27Å; L172-F195 HydrophobicContact CD1-CD1 4.42Å; K173-F195 WeakPolarHBondContact CE-O 3.29Å; K173-F195 HydrophobicContact CG-CB 4.07Å; K173-F195 HydrophobicContact CG-CD2 4.31Å; K173-F195 PolarHBondContact NZ-O 3.46Å; F176-F195 HydrophobicContact CB-CE2 3.64Å; F176-F195 HydrophobicContact CB-CZ 3.74Å; F176-F195 HydrophobicContact CG-CZ 4.47Å; I192-F195 HydrophobicContact CD1-CE2 4.47Å; I192-F195 HydrophobicContact CD1-CZ 3.99Å; I192-F195 HydrophobicContact CG2-CD2 4.25Å; I192-F195 HydrophobicContact CG2-CE2 3.73Å; I192-F195 HydrophobicContact CG2-CZ 4.13Å; F195-L235 WeakPolarHBondContact CA-O 3.36Å; F195-A236 HydrophobicContact CD1-CB 4.32Å; F195-A236 HydrophobicContact CE1-CB 3.96Å; F195-A236 HydrophobicContact CZ-CB 4.45Å; F195-I245 HydrophobicContact CD1-CD1 4.04Å; F195-I245 HydrophobicContact CE1-CD1 3.8Å; F195-I245 HydrophobicContact CE1-CG1 4.09Å
196T92.8Very high92.9Very high20 Ų2066.9 Ų66.912%0.12332%0.32CS..EExtended strand (participates in β ladder)trans-103.1155.7172.3-178.30000110.7D198 P234 L235 I237T196-D198 VanDerWaalsContact C-N 3.32Å; T196-D198 HydrophobicContact CG2-CB 4.08Å; T196-D198 PolarHBondContact OG1-N 3.1Å; T196-D198 VanDerWaalsContact OG1-N 3.08Å; T196-D198 PolarHBondContact OG1-OD2 2.89Å; T196-P234 WeakPolarHBondContact O-CB 3.42Å; T196-L235 HydrophobicContact CG2-CB 3.69Å; T196-L235 HydrophobicContact CG2-CD1 4.4Å; T196-L235 HydrophobicContact CG2-CG 4.31Å; T196-L235 PolarHBondContact N-O 3Å; T196-I237 HydrophobicContact CG2-CD1 3.82Å; T196-I237 HydrophobicContact CG2-CG1 4.37Å
197T90.9Very high92.5Very high62 Ų6264.3 Ų64.338%0.3830%0.304SS..EExtended strand (participates in β ladder)trans-78.7-18167.346.70000112.9V169V169-T197 HydrophobicContact CB-CG2 4.32Å; V169-T197 HydrophobicContact CG1-CG2 4.25Å; V169-T197 HydrophobicContact CG2-CG2 4.17Å
198D92.2Very high92.2Very high51 Ų5168.2 Ų68.227%0.27333%0.325SS..EExtended strand (participates in β ladder)trans-64.2150.1173-52.9-37.1000110.4T196 R203T196-D198 VanDerWaalsContact C-N 3.32Å; T196-D198 HydrophobicContact CG2-CB 4.08Å; T196-D198 PolarHBondContact OG1-N 3.1Å; T196-D198 VanDerWaalsContact OG1-N 3.08Å; T196-D198 PolarHBondContact OG1-OD2 2.89Å; D198-R203 HydrophobicContact CB-CB 3.93Å; D198-R203 HydrophobicContact CB-CG 4.45Å; D198-R203 VanDerWaalsContact OD2-CD 3.24Å; D198-R203 WeakPolarHBondContact OD2-CD 3.38Å; D198-R203 IonicContact OD2-CZ 2.87Å; D198-R203 IonicContact OD2-NE 2.62Å; D198-R203 IonicContact OD2-NH1 2.92Å; D198-R203 PolarHBondContact OD2-NH1 3.1Å
199T95.5Very high91.4Very high7 Ų768.2 Ų68.24%0.04334%0.335CS..EExtended strand (participates in β ladder)trans-108.3174.1-176.977.90000110.8P163 N201 T202 R203 P231 N232P163-T199 HydrophobicContact CB-CG2 4.37Å; P163-T199 HydrophobicContact CG-CG2 4.34Å; T199-N201 PolarHBondContact O-N 3Å; T199-N201 PolarHBondContact OG1-N 3.31Å; T199-T202 PolarHBondContact N-OG1 2.88Å; T199-T202 PolarHBondContact O-N 3.45Å; T199-T202 PolarHBondContact OG1-N 2.89Å; T199-T202 PolarHBondContact OG1-OG1 3.42Å; T199-R203 VanDerWaalsContact O-CB 3.27Å; T199-R203 WeakPolarHBondContact O-CB 3.27Å; T199-R203 PolarHBondContact O-N 2.92Å; T199-P231 WeakPolarHBondContact CB-O 3.31Å; T199-N232 HydrophobicContact CG2-CB 4.49Å; T199-N232 WeakPolarHBondContact CG2-O 3.48Å
200A95.9Very high90.6Very high1 Ų162.9 Ų62.91%0.00832%0.317CS..THydrogen-bonded Turntrans-63.4-27.5175.700000112.4V216 Y217 L228 P231 L235A200-V216 HydrophobicContact CB-CB 4.22Å; A200-V216 HydrophobicContact CB-CG1 4.15Å; A200-V216 PolarHBondContact O-N 3.49Å; A200-Y217 PolarHBondContact O-N 3.42Å; A200-L228 HydrophobicContact CB-CD1 3.5Å; A200-L228 VanDerWaalsContact CB-CD1 3.5Å; A200-P231 WeakPolarHBondContact CA-O 3.46Å; A200-P231 HydrophobicContact CB-CB 4.29Å; A200-P231 VanDerWaalsContact CB-O 3.3Å; A200-P231 WeakPolarHBondContact CB-O 2.99Å; A200-P231 PolarHBondContact N-O 2.76Å; A200-L235 HydrophobicContact CB-CD2 4.13Å
201N95.6Very high89.9Confident59 Ų5967.9 Ų67.932%0.31635%0.353SS..THydrogen-bonded Turntrans-77.5-33.8177.3-75.4-33.4000113.2T199 N215 P231 N232T199-N201 PolarHBondContact O-N 3Å; T199-N201 PolarHBondContact OG1-N 3.31Å; N201-N215 PolarHBondContact O-ND2 3.36Å; N201-P231 PolarHBondContact N-O 3.27Å; N201-N232 PolarHBondContact ND2-OD1 2.99Å
202T95Very high89.7Confident87 Ų8765.1 Ų65.153%0.53435%0.351SS..THydrogen-bonded Turntrans-97.4-34.2-173.662.70000113.6T199 R204T199-T202 PolarHBondContact N-OG1 2.88Å; T199-T202 PolarHBondContact O-N 3.45Å; T199-T202 PolarHBondContact OG1-N 2.89Å; T199-T202 PolarHBondContact OG1-OG1 3.42Å; T202-R204 PolarHBondContact O-N 3.27Å
203R94.4Very high89.5Confident103 Ų10368.8 Ų68.839%0.38938%0.375SS..  trans-71.1113.4-178.6-170.473.5-179.6-175.23.1110.4D198 T199 N215 V216 L235D198-R203 HydrophobicContact CB-CB 3.93Å; D198-R203 HydrophobicContact CB-CG 4.45Å; D198-R203 VanDerWaalsContact OD2-CD 3.24Å; D198-R203 WeakPolarHBondContact OD2-CD 3.38Å; D198-R203 IonicContact OD2-CZ 2.87Å; D198-R203 IonicContact OD2-NE 2.62Å; D198-R203 IonicContact OD2-NH1 2.92Å; D198-R203 PolarHBondContact OD2-NH1 3.1Å; T199-R203 VanDerWaalsContact O-CB 3.27Å; T199-R203 WeakPolarHBondContact O-CB 3.27Å; T199-R203 PolarHBondContact O-N 2.92Å; R203-N215 CarbonylContact O-C 3.57Å; R203-N215 WeakPolarHBondContact O-CA 3.44Å; R203-V216 HydrophobicContact CB-CG2 4.05Å; R203-V216 HydrophobicContact CG-CG2 4.13Å; R203-V216 PolarHBondContact O-N 3.05Å; R203-L235 HydrophobicContact CB-CD1 3.66Å; R203-L235 HydrophobicContact CG-CD1 3.98Å
204R94Very high89.5Confident180 Ų18067.2 Ų67.268%0.67936%0.364SS*.EExtended strand (participates in β ladder)trans-101148.3173.6-69.5-175.8170-164.9-3.5112.4T202 I214 N215T202-R204 PolarHBondContact O-N 3.27Å; R204-I214 VanDerWaalsContact CA-O 3.32Å; R204-I214 WeakPolarHBondContact CA-O 3.42Å; R204-N215 HydrophobicContact CG-CB 4.08Å
205F92.2Very high89.6Confident76 Ų7666.5 Ų66.533%0.33336%0.36SS..EExtended strand (participates in β ladder)trans-152.3163.6171.272.3-74.8000109.5P207 P213 I214 V216 Y219F205-P207 HydrophobicContact CD2-CG 4.32Å; F205-P207 HydrophobicContact CE2-CB 4.13Å; F205-P207 HydrophobicContact CE2-CG 3.79Å; F205-P207 HydrophobicContact CZ-CG 4.23Å; F205-P213 WeakPolarHBondContact O-CA 3.29Å; F205-I214 HydrophobicContact CE1-CG2 4.34Å; F205-I214 PolarHBondContact N-O 3.17Å; F205-I214 PolarHBondContact O-N 3.21Å; F205-I214 VanDerWaalsContact O-O 3.04Å; F205-V216 HydrophobicContact CD1-CG2 4.07Å; F205-V216 HydrophobicContact CE1-CG2 4.01Å; F205-Y219 HydrophobicContact CE1-CD1 4.41Å; F205-Y219 HydrophobicContact CE1-CG 4.09Å; F205-Y219 HydrophobicContact CE2-CD2 4.39Å; F205-Y219 HydrophobicContact CE2-CG 4.49Å; F205-Y219 AromaticContact CZ-CD1 3.74Å; F205-Y219 HydrophobicContact CZ-CD1 3.74Å; F205-Y219 AromaticContact CZ-CD2 3.74Å; F205-Y219 HydrophobicContact CZ-CD2 3.74Å; F205-Y219 HydrophobicContact CZ-CE1 4.22Å; F205-Y219 HydrophobicContact CZ-CE2 4.24Å; F205-Y219 AromaticContact CZ-CG 3.47Å; F205-Y219 HydrophobicContact CZ-CG 3.47Å; F205-Y219 VanDerWaalsContact CZ-CG 3.47Å
206Q89.4Confident89.6Confident118 Ų11866.5 Ų66.555%0.55136%0.361SS*.  trans-105.9110.2176.3-171.5169.2-7.800108.9Q210 S211Q206-Q210 WeakPolarHBondContact CG-O 3.4Å; Q206-S211 PolarHBondContact NE2-O 3.43Å
207P83.7Confident89.8Confident10 Ų1067.9 Ų67.97%0.06536%0.364CS..  trans-70.4146.6172.9-8.122.8000110.1F205 S209 Q210 I214 Y219F205-P207 HydrophobicContact CD2-CG 4.32Å; F205-P207 HydrophobicContact CE2-CB 4.13Å; F205-P207 HydrophobicContact CE2-CG 3.79Å; F205-P207 HydrophobicContact CZ-CG 4.23Å; P207-S209 PolarHBondContact O-N 3.47Å; P207-Q210 HydrophobicContact CG-CB 4.44Å; P207-Q210 PolarHBondContact O-N 3.02Å; P207-I214 HydrophobicContact CG-CG2 3.64Å; P207-Y219 HydrophobicContact CB-CD2 4.41Å; P207-Y219 HydrophobicContact CB-CE2 4.19Å; P207-Y219 HydrophobicContact CG-CD2 3.94Å; P207-Y219 HydrophobicContact CG-CE2 4.22Å
208D80.7Confident90Very high181 Ų18165.7 Ų65.797%0.96835%0.354SS*.THydrogen-bonded Turntrans-57.6-25177.1-57.3-28.7000112.8
209S75Confident90.1Very high86 Ų8665.5 Ų65.560%0.60135%0.349SS*.THydrogen-bonded Turntrans-82.4-3.1178.859.10000114.9P207P207-S209 PolarHBondContact O-N 3.47Å
210Q73.9Confident90.1Very high43 Ų4365.5 Ų65.520%0.20135%0.349CS..  trans-138.9138.7-176.4-69-177.261.700112.7Q206 P207Q206-Q210 WeakPolarHBondContact CG-O 3.4Å; P207-Q210 HydrophobicContact CG-CB 4.44Å; P207-Q210 PolarHBondContact O-N 3.02Å
211S76.4Confident90.1Very high116 Ų11669.1 Ų69.181%0.81137%0.367SS*.SBendtrans-75.6-21.7178.653.10000113.8Q206Q206-S211 PolarHBondContact NE2-O 3.43Å
212A87Confident90Very high55 Ų5572.8 Ų72.846%0.45538%0.381SS..SBendtrans-108.8143.8-178.400000112.2I214A212-I214 PolarHBondContact O-N 3.4Å
213P91.1Very high89.8Confident76 Ų7673.3 Ų73.349%0.49438%0.377SS..  trans-60.9134.1172.1-20.631.4000111.9F205F205-P213 WeakPolarHBondContact O-CA 3.29Å
214I94.5Very high89.8Confident28 Ų2872.5 Ų72.514%0.14438%0.375CS..EExtended strand (participates in β ladder)trans-120.2152.3175.4-165167.2000109.5R204 F205 P207 A212 G218 K222R204-I214 VanDerWaalsContact CA-O 3.32Å; R204-I214 WeakPolarHBondContact CA-O 3.42Å; F205-I214 HydrophobicContact CE1-CG2 4.34Å; F205-I214 PolarHBondContact N-O 3.17Å; F205-I214 PolarHBondContact O-N 3.21Å; F205-I214 VanDerWaalsContact O-O 3.04Å; P207-I214 HydrophobicContact CG-CG2 3.64Å; A212-I214 PolarHBondContact O-N 3.4Å; I214-G218 VanDerWaalsContact CD1-C 3.44Å; I214-K222 HydrophobicContact CD1-CD 4.48Å
215N95.4Very high89.8Confident36 Ų3666.9 Ų66.919%0.19337%0.372CS..EExtended strand (participates in β ladder)trans-79.7161.3170.566.110.2000111.3N201 R203 R204 Y217 G218 Y219N201-N215 PolarHBondContact O-ND2 3.36Å; R203-N215 CarbonylContact O-C 3.57Å; R203-N215 WeakPolarHBondContact O-CA 3.44Å; R204-N215 HydrophobicContact CG-CB 4.08Å; N215-Y217 VanDerWaalsContact C-N 3.3Å; N215-Y217 PolarHBondContact O-N 2.69Å; N215-G218 PolarHBondContact O-N 2.96Å; N215-G218 WeakPolarHBondContact OD1-CA 3.3Å; N215-G218 PolarHBondContact OD1-N 3.15Å; N215-Y219 PolarHBondContact O-N 3.1Å
216V95.7Very high90Very high2 Ų265.3 Ų65.31%0.01237%0.367CS..Hα-helixtrans-58.7-41.6-178172.70000111.5A200 R203 F205 Y219 F220 L235 P244A200-V216 HydrophobicContact CB-CB 4.22Å; A200-V216 HydrophobicContact CB-CG1 4.15Å; A200-V216 PolarHBondContact O-N 3.49Å; R203-V216 HydrophobicContact CB-CG2 4.05Å; R203-V216 HydrophobicContact CG-CG2 4.13Å; R203-V216 PolarHBondContact O-N 3.05Å; F205-V216 HydrophobicContact CD1-CG2 4.07Å; F205-V216 HydrophobicContact CE1-CG2 4.01Å; V216-Y219 PolarHBondContact O-N 2.92Å; V216-F220 HydrophobicContact CG1-CD2 3.79Å; V216-F220 HydrophobicContact CG1-CE2 3.87Å; V216-F220 VanDerWaalsContact O-CD2 3.31Å; V216-F220 WeakPolarHBondContact O-CD2 3.46Å; V216-F220 PolarHBondContact O-N 3Å; V216-L235 HydrophobicContact CB-CD1 4.33Å; V216-L235 HydrophobicContact CG1-CD1 4.41Å; V216-L235 HydrophobicContact CG1-CD2 4.27Å; V216-L235 HydrophobicContact CG2-CD1 3.93Å; V216-P244 HydrophobicContact CG1-CG 3.88Å
217Y96.8Very high90.4Very high49 Ų4967.4 Ų67.419%0.19237%0.374CS..Hα-helixtrans-59.6-51.4176.5177.6-113.3000112.3A200 N215 Y219 F220 L221 K227 L228 P231A200-Y217 PolarHBondContact O-N 3.42Å; N215-Y217 VanDerWaalsContact C-N 3.3Å; N215-Y217 PolarHBondContact O-N 2.69Å; Y217-Y219 VanDerWaalsContact C-N 3.28Å; Y217-Y219 PolarHBondContact O-N 2.84Å; Y217-F220 PolarHBondContact O-N 3.02Å; Y217-L221 HydrophobicContact CE1-CD2 4.43Å; Y217-L221 WeakPolarHBondContact O-CB 3.06Å; Y217-L221 PolarHBondContact O-N 3.44Å; Y217-K227 HydrophobicContact CE2-CG 4.46Å; Y217-K227 WeakPolarHBondContact OH-CG 3.3Å; Y217-L228 HydrophobicContact CD2-CB 3.57Å; Y217-L228 HydrophobicContact CD2-CD1 3.83Å; Y217-L228 HydrophobicContact CD2-CG 3.7Å; Y217-L228 HydrophobicContact CE2-CB 3.69Å; Y217-L228 HydrophobicContact CE2-CG 4.19Å; Y217-P231 HydrophobicContact CD2-CB 4.06Å; Y217-P231 HydrophobicContact CE2-CB 4.5Å; Y217-P231 HydrophobicContact CG-CB 4.43Å
218G95Very high91Very high16 Ų1667.3 Ų67.317%0.16537%0.373CS..Hα-helixtrans-61.3-36.6178.800000112.4I214 N215 K222I214-G218 VanDerWaalsContact CD1-C 3.44Å; N215-G218 PolarHBondContact O-N 2.96Å; N215-G218 WeakPolarHBondContact OD1-CA 3.3Å; N215-G218 PolarHBondContact OD1-N 3.15Å; G218-K222 VanDerWaalsContact O-CB 3.24Å; G218-K222 WeakPolarHBondContact O-CB 3.39Å; G218-K222 PolarHBondContact O-N 3.35Å
219Y95.1Very high91.7Very high47 Ų4764.9 Ų64.918%0.18435%0.354CS..Hα-helixtrans-62.1-49.5173.4175.7-105000112.1F205 P207 N215 V216 Y217 L221 K222 Q223 Y224F205-Y219 HydrophobicContact CE1-CD1 4.41Å; F205-Y219 HydrophobicContact CE1-CG 4.09Å; F205-Y219 HydrophobicContact CE2-CD2 4.39Å; F205-Y219 HydrophobicContact CE2-CG 4.49Å; F205-Y219 AromaticContact CZ-CD1 3.74Å; F205-Y219 HydrophobicContact CZ-CD1 3.74Å; F205-Y219 AromaticContact CZ-CD2 3.74Å; F205-Y219 HydrophobicContact CZ-CD2 3.74Å; F205-Y219 HydrophobicContact CZ-CE1 4.22Å; F205-Y219 HydrophobicContact CZ-CE2 4.24Å; F205-Y219 AromaticContact CZ-CG 3.47Å; F205-Y219 HydrophobicContact CZ-CG 3.47Å; F205-Y219 VanDerWaalsContact CZ-CG 3.47Å; P207-Y219 HydrophobicContact CB-CD2 4.41Å; P207-Y219 HydrophobicContact CB-CE2 4.19Å; P207-Y219 HydrophobicContact CG-CD2 3.94Å; P207-Y219 HydrophobicContact CG-CE2 4.22Å; N215-Y219 PolarHBondContact O-N 3.1Å; V216-Y219 PolarHBondContact O-N 2.92Å; Y217-Y219 VanDerWaalsContact C-N 3.28Å; Y217-Y219 PolarHBondContact O-N 2.84Å; Y219-L221 VanDerWaalsContact C-N 3.34Å; Y219-L221 PolarHBondContact O-N 3.46Å; Y219-K222 PolarHBondContact O-N 3.22Å; Y219-Q223 HydrophobicContact CD2-CB 4.29Å; Y219-Q223 HydrophobicContact CE2-CB 4.03Å; Y219-Q223 HydrophobicContact CE2-CG 4.13Å; Y219-Q223 WeakPolarHBondContact O-CB 3.39Å; Y219-Q223 PolarHBondContact O-N 3.08Å; Y219-Y224 AromaticContact CE1-CE2 3.78Å; Y219-Y224 HydrophobicContact CE1-CE2 3.78Å
220F95.5Very high92.7Very high6 Ų662.3 Ų62.33%0.02633%0.331CS..Hα-helixtrans-65.4-36.9-180-87.5-81.9000112.8H185 V216 Y217 Y224 G225 I226 P244 L247H185-F220 AromaticContact CD2-CE1 3.91Å; H185-F220 AromaticContact CE1-CE1 3.45Å; H185-F220 VanDerWaalsContact CE1-CE1 3.45Å; H185-F220 WeakPolarHBondContact CE1-CE1 3.49Å; H185-F220 AromaticContact CE1-CZ 3.8Å; H185-F220 AromaticContact ND1-CE1 3.76Å; H185-F220 AromaticContact NE2-CE1 3.59Å; H185-F220 AromaticContact NE2-CZ 3.97Å; V216-F220 HydrophobicContact CG1-CD2 3.79Å; V216-F220 HydrophobicContact CG1-CE2 3.87Å; V216-F220 VanDerWaalsContact O-CD2 3.31Å; V216-F220 WeakPolarHBondContact O-CD2 3.46Å; V216-F220 PolarHBondContact O-N 3Å; Y217-F220 PolarHBondContact O-N 3.02Å; F220-Y224 AromaticContact CD1-CD2 3.71Å; F220-Y224 HydrophobicContact CD1-CD2 3.71Å; F220-Y224 HydrophobicContact CD1-CE2 4.24Å; F220-Y224 AromaticContact CE1-CD2 3.99Å; F220-Y224 HydrophobicContact CE1-CD2 3.99Å; F220-Y224 HydrophobicContact CE1-CE2 4.1Å; F220-Y224 HydrophobicContact CG-CD2 4.48Å; F220-Y224 PolarHBondContact O-N 3.44Å; F220-Y224 VanDerWaalsContact O-N 3.16Å; F220-G225 PolarHBondContact O-N 3.3Å; F220-I226 CarbonylContact C-O 3.57Å; F220-I226 HydrophobicContact CD1-CD1 4.47Å; F220-I226 PolarHBondContact O-N 3.21Å; F220-I226 VanDerWaalsContact O-N 3.12Å; F220-P244 HydrophobicContact CD2-CG 3.95Å; F220-P244 VanDerWaalsContact CE2-CD 3.43Å; F220-P244 HydrophobicContact CE2-CG 3.85Å; F220-P244 HydrophobicContact CZ-CG 4.42Å; F220-L247 HydrophobicContact CD1-CD1 3.43Å; F220-L247 VanDerWaalsContact CD1-CD1 3.43Å; F220-L247 HydrophobicContact CE1-CD1 3.41Å; F220-L247 VanDerWaalsContact CE1-CD1 3.41Å; F220-L247 HydrophobicContact CG-CD1 4.11Å; F220-L247 HydrophobicContact CZ-CD1 4.08Å
221L95.6Very high93.8Very high77 Ų7761.3 Ų61.340%0.40333%0.329SS..Hα-helixtrans-66.4-46.8175.6-174.663.7000111.7Y217 Y219 G225 I226 K227Y217-L221 HydrophobicContact CE1-CD2 4.43Å; Y217-L221 WeakPolarHBondContact O-CB 3.06Å; Y217-L221 PolarHBondContact O-N 3.44Å; Y219-L221 VanDerWaalsContact C-N 3.34Å; Y219-L221 PolarHBondContact O-N 3.46Å; L221-G225 WeakPolarHBondContact O-CA 3.49Å; L221-G225 PolarHBondContact O-N 3.36Å; L221-G225 VanDerWaalsContact O-N 3.08Å; L221-I226 WeakPolarHBondContact CA-O 3.35Å; L221-I226 PolarHBondContact N-O 3.46Å; L221-K227 HydrophobicContact CD1-CB 4.31Å
222K92.5Very high94.7Very high137 Ų13758.1 Ų58.160%0.59630%0.303SS*.Hα-helixtrans-74.6-45-177-176174.5174-179.40113I214 G218 Y219I214-K222 HydrophobicContact CD1-CD 4.48Å; G218-K222 VanDerWaalsContact O-CB 3.24Å; G218-K222 WeakPolarHBondContact O-CB 3.39Å; G218-K222 PolarHBondContact O-N 3.35Å; Y219-K222 PolarHBondContact O-N 3.22Å
223Q91.8Very high95.1Very high97 Ų9756 Ų5645%0.45328%0.283SS..Hα-helixtrans-81.7-35.8-172.6-172.762.33200113Y219Y219-Q223 HydrophobicContact CD2-CB 4.29Å; Y219-Q223 HydrophobicContact CE2-CB 4.03Å; Y219-Q223 HydrophobicContact CE2-CG 4.13Å; Y219-Q223 WeakPolarHBondContact O-CB 3.39Å; Y219-Q223 PolarHBondContact O-N 3.08Å
224Y93.6Very high95.3Very high87 Ų8752.5 Ų52.534%0.34126%0.261SS..Hα-helixtrans-119.5-2.8-173.3-59.3-73.2000113.5H185 T186 Y219 F220 I226H185-Y224 AromaticContact CD2-CE1 3.87Å; H185-Y224 AromaticContact CD2-CE2 3.82Å; H185-Y224 AromaticContact CD2-CZ 3.66Å; T186-Y224 HydrophobicContact CG2-CE1 4.1Å; Y219-Y224 AromaticContact CE1-CE2 3.78Å; Y219-Y224 HydrophobicContact CE1-CE2 3.78Å; F220-Y224 AromaticContact CD1-CD2 3.71Å; F220-Y224 HydrophobicContact CD1-CD2 3.71Å; F220-Y224 HydrophobicContact CD1-CE2 4.24Å; F220-Y224 AromaticContact CE1-CD2 3.99Å; F220-Y224 HydrophobicContact CE1-CD2 3.99Å; F220-Y224 HydrophobicContact CE1-CE2 4.1Å; F220-Y224 HydrophobicContact CG-CD2 4.48Å; F220-Y224 PolarHBondContact O-N 3.44Å; F220-Y224 VanDerWaalsContact O-N 3.16Å; Y224-I226 HydrophobicContact CG-CD1 4.5Å; Y224-I226 PolarHBondContact O-N 3.07Å
225G95Very high95.5Very high61 Ų6151.2 Ų51.263%0.62925%0.254SS*.  trans68.116.8-174.700000113.7F220 L221F220-G225 PolarHBondContact O-N 3.3Å; L221-G225 WeakPolarHBondContact O-CA 3.49Å; L221-G225 PolarHBondContact O-N 3.36Å; L221-G225 VanDerWaalsContact O-N 3.08Å
226I97Very high95.5Very high43 Ų4349.5 Ų49.522%0.22125%0.245CC..  trans-94.4115-172.4-62.3174000110.1H185 F220 L221 Y224 L228 L247H185-I226 HydrophobicContact CB-CD1 3.67Å; F220-I226 CarbonylContact C-O 3.57Å; F220-I226 HydrophobicContact CD1-CD1 4.47Å; F220-I226 PolarHBondContact O-N 3.21Å; F220-I226 VanDerWaalsContact O-N 3.12Å; L221-I226 WeakPolarHBondContact CA-O 3.35Å; L221-I226 PolarHBondContact N-O 3.46Å; Y224-I226 HydrophobicContact CG-CD1 4.5Å; Y224-I226 PolarHBondContact O-N 3.07Å; I226-L228 HydrophobicContact CG2-CD2 4.13Å; I226-L228 PolarHBondContact O-N 2.79Å; I226-L247 HydrophobicContact CD1-CD1 4.43Å; I226-L247 HydrophobicContact CG2-CD1 4.29Å; I226-L247 HydrophobicContact CG2-CD2 4.06Å
227K97Very high95.6Very high163 Ų16350.6 Ų50.671%0.70925%0.25SS*.  trans-85.7104.3168.5-164.9178.7-178.9176.90109.8Y217 L221 K229Y217-K227 HydrophobicContact CE2-CG 4.46Å; Y217-K227 WeakPolarHBondContact OH-CG 3.3Å; L221-K227 HydrophobicContact CD1-CB 4.31Å; K227-K229 PolarHBondContact O-N 2.79Å
228L96.3Very high95.4Very high8 Ų851.5 Ų51.54%0.04226%0.255CS..  trans-58.6130174.2-62.9-171.4000111.1A200 Y217 I226 P231 P244 E246 L247A200-L228 HydrophobicContact CB-CD1 3.5Å; A200-L228 VanDerWaalsContact CB-CD1 3.5Å; Y217-L228 HydrophobicContact CD2-CB 3.57Å; Y217-L228 HydrophobicContact CD2-CD1 3.83Å; Y217-L228 HydrophobicContact CD2-CG 3.7Å; Y217-L228 HydrophobicContact CE2-CB 3.69Å; Y217-L228 HydrophobicContact CE2-CG 4.19Å; I226-L228 HydrophobicContact CG2-CD2 4.13Å; I226-L228 PolarHBondContact O-N 2.79Å; L228-P231 HydrophobicContact CB-CB 4.24Å; L228-P244 HydrophobicContact CD1-CB 3.93Å; L228-P244 HydrophobicContact CD1-CG 3.59Å; L228-P244 HydrophobicContact CD2-CB 4Å; L228-P244 HydrophobicContact CD2-CG 4Å; L228-P244 HydrophobicContact CG-CG 4.5Å; L228-E246 WeakPolarHBondContact CA-OE1 3.3Å; L228-E246 WeakPolarHBondContact CB-OE1 3.3Å; L228-E246 HydrophobicContact CD2-CG 4.18Å; L228-E246 VanDerWaalsContact CD2-OE1 3.28Å; L228-E246 WeakPolarHBondContact CD2-OE1 3.45Å; L228-L247 HydrophobicContact CD2-CD1 3.7Å; L228-L247 HydrophobicContact CD2-CD2 4.36Å; L228-L247 HydrophobicContact CD2-CG 3.98Å
229K95.8Very high95Very high129 Ų12953.5 Ų53.556%0.56128%0.276SS*.SBendtrans-81-29.8176.6-174176.4177.3-170.50111F161 K227 P231 E246F161-K229 HydrophobicContact CE1-CG 4.47Å; F161-K229 WeakPolarHBondContact CE1-O 3.48Å; K227-K229 PolarHBondContact O-N 2.79Å; K229-P231 WeakPolarHBondContact O-CD 3.47Å; K229-E246 WeakPolarHBondContact CB-OE2 3.33Å; K229-E246 PolarHBondContact N-OE1 2.96Å; K229-E246 VanDerWaalsContact N-OE1 3.15Å; K229-E246 PolarHBondContact N-OE2 3.35Å
230Y95.9Very high94.5Very high32 Ų3261.3 Ų61.313%0.12531%0.311CS..  trans-124.560.7-176.3-53.3-77.9000112.1L147 I159 F161 N232 L233 E246L147-Y230 HydrophobicContact CD2-CD2 3.83Å; L147-Y230 HydrophobicContact CD2-CE2 3.73Å; I159-Y230 HydrophobicContact CB-CD1 4.26Å; I159-Y230 HydrophobicContact CB-CE1 3.74Å; I159-Y230 HydrophobicContact CD1-CE2 4.21Å; I159-Y230 HydrophobicContact CG2-CD1 3.51Å; I159-Y230 HydrophobicContact CG2-CD2 4.27Å; I159-Y230 HydrophobicContact CG2-CE1 3.51Å; I159-Y230 HydrophobicContact CG2-CE2 4.27Å; I159-Y230 HydrophobicContact CG2-CG 3.9Å; F161-Y230 HydrophobicContact CD1-CD1 4.17Å; F161-Y230 HydrophobicContact CD1-CE1 4.44Å; F161-Y230 HydrophobicContact CE1-CD1 4.11Å; F161-Y230 HydrophobicContact CE1-CE1 4.01Å; F161-Y230 HydrophobicContact CZ-CE1 4.16Å; Y230-N232 PolarHBondContact O-N 2.84Å; Y230-N232 VanDerWaalsContact O-N 3.11Å; Y230-L233 VanDerWaalsContact CB-CD1 3.49Å; Y230-L233 HydrophobicContact CG-CD1 4.08Å; Y230-L233 PolarHBondContact O-N 2.79Å; Y230-E246 HydrophobicContact CD2-CB 4.41Å; Y230-E246 PolarHBondContact N-OE1 3.34Å; Y230-E246 PolarHBondContact N-OE2 2.99Å
231P96.1Very high94.3Very high23 Ų2364.3 Ų64.315%0.14933%0.332CS..THydrogen-bonded Turntrans-69.3-12.8-172.131.1-38.1000113.9T199 A200 N201 Y217 L228 K229T199-P231 WeakPolarHBondContact CB-O 3.31Å; A200-P231 WeakPolarHBondContact CA-O 3.46Å; A200-P231 HydrophobicContact CB-CB 4.29Å; A200-P231 VanDerWaalsContact CB-O 3.3Å; A200-P231 WeakPolarHBondContact CB-O 2.99Å; A200-P231 PolarHBondContact N-O 2.76Å; N201-P231 PolarHBondContact N-O 3.27Å; Y217-P231 HydrophobicContact CD2-CB 4.06Å; Y217-P231 HydrophobicContact CE2-CB 4.5Å; Y217-P231 HydrophobicContact CG-CB 4.43Å; L228-P231 HydrophobicContact CB-CB 4.24Å; K229-P231 WeakPolarHBondContact O-CD 3.47Å
232N95.9Very high94.3Very high49 Ų4961.6 Ų61.626%0.26232%0.32SS..THydrogen-bonded Turntrans-93.8-2.2178.8-66-29.9000113.8F161 P163 T199 N201 Y230F161-N232 WeakPolarHBondContact O-CB 3.45Å; F161-N232 PolarHBondContact O-ND2 2.84Å; P163-N232 WeakPolarHBondContact CA-O 3.31Å; P163-N232 HydrophobicContact CG-CB 4.25Å; T199-N232 HydrophobicContact CG2-CB 4.49Å; T199-N232 WeakPolarHBondContact CG2-O 3.48Å; N201-N232 PolarHBondContact ND2-OD1 2.99Å; Y230-N232 PolarHBondContact O-N 2.84Å; Y230-N232 VanDerWaalsContact O-N 3.11Å
233L95.7Very high94.5Very high9 Ų956.3 Ų56.35%0.04730%0.298CS..SBendtrans-71.2154.4173.7-70.4-179.7000111.5L147 I159 P160 L164 Y230L147-L233 HydrophobicContact CD1-CD1 3.53Å; I159-L233 HydrophobicContact CG2-CD1 3.77Å; P160-L233 HydrophobicContact CG-CD2 4.17Å; L164-L233 HydrophobicContact CD1-CD2 4.36Å; L164-L233 HydrophobicContact CD2-CD2 4.31Å; L164-L233 HydrophobicContact CG-CD2 4.03Å; Y230-L233 VanDerWaalsContact CB-CD1 3.49Å; Y230-L233 HydrophobicContact CG-CD1 4.08Å; Y230-L233 PolarHBondContact O-N 2.79Å
234P95.9Very high94.8Very high3 Ų352 Ų522%0.01928%0.278CS..EExtended strand (participates in β ladder)trans-59.8152.3174.223.6-33.5000111.8L164 V169 L172 T196 I245L164-P234 HydrophobicContact CB-CG 4.29Å; L164-P234 HydrophobicContact CD1-CG 3.77Å; L164-P234 HydrophobicContact CG-CG 4.21Å; V169-P234 HydrophobicContact CG2-CB 4.02Å; V169-P234 HydrophobicContact CG2-CG 4.07Å; L172-P234 HydrophobicContact CD1-CG 4.2Å; T196-P234 WeakPolarHBondContact O-CB 3.42Å; P234-I245 HydrophobicContact CG-CD1 3.99Å; P234-I245 WeakPolarHBondContact O-CD1 3.39Å; P234-I245 VanDerWaalsContact O-CG1 3.27Å; P234-I245 WeakPolarHBondContact O-CG1 3.33Å
235L97.1Very high94.9Very high1 Ų148 Ų481%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-96.2140.7179.1-53.5169.8000111.3F195 T196 A200 R203 V216 A242 F243 P244F195-L235 WeakPolarHBondContact CA-O 3.36Å; T196-L235 HydrophobicContact CG2-CB 3.69Å; T196-L235 HydrophobicContact CG2-CD1 4.4Å; T196-L235 HydrophobicContact CG2-CG 4.31Å; T196-L235 PolarHBondContact N-O 3Å; A200-L235 HydrophobicContact CB-CD2 4.13Å; R203-L235 HydrophobicContact CB-CD1 3.66Å; R203-L235 HydrophobicContact CG-CD1 3.98Å; V216-L235 HydrophobicContact CB-CD1 4.33Å; V216-L235 HydrophobicContact CG1-CD1 4.41Å; V216-L235 HydrophobicContact CG1-CD2 4.27Å; V216-L235 HydrophobicContact CG2-CD1 3.93Å; L235-A242 HydrophobicContact CB-CB 4.02Å; L235-A242 HydrophobicContact CD1-CB 3.77Å; L235-F243 WeakPolarHBondContact CA-O 3.48Å; L235-P244 HydrophobicContact CD2-CB 4.37Å; L235-P244 HydrophobicContact CD2-CG 4.21Å
236A97.3Very high95Very high0 Ų046.7 Ų46.70%024%0.24CC..EExtended strand (participates in β ladder)trans-80134169.500000110I192 F195 F243 L248I192-A236 HydrophobicContact CD1-CB 4.37Å; I192-A236 HydrophobicContact CG1-CB 4.44Å; I192-A236 HydrophobicContact CG2-CB 4.43Å; F195-A236 HydrophobicContact CD1-CB 4.32Å; F195-A236 HydrophobicContact CE1-CB 3.96Å; F195-A236 HydrophobicContact CZ-CB 4.45Å; A236-F243 PolarHBondContact N-O 2.9Å; A236-F243 PolarHBondContact O-N 3.25Å; A236-L248 HydrophobicContact CB-CD1 3.58Å
237I96.5Very high95Very high25 Ų2545.6 Ų45.613%0.12823%0.234CC..EExtended strand (participates in β ladder)trans-105139.9-173.8-55.8-56.9000110.9T193 D194 T196 G239 C241 A242T193-I237 PolarHBondContact N-O 3.12Å; T193-I237 PolarHBondContact OG1-O 3.15Å; D194-I237 HydrophobicContact CB-CB 4.11Å; D194-I237 HydrophobicContact CB-CG1 4.43Å; D194-I237 PolarHBondContact N-O 3.34Å; D194-I237 WeakPolarHBondContact O-CB 3.2Å; D194-I237 PolarHBondContact O-N 2.81Å; T196-I237 HydrophobicContact CG2-CD1 3.82Å; T196-I237 HydrophobicContact CG2-CG1 4.37Å; I237-G239 VanDerWaalsContact CG2-O 3.28Å; I237-G239 WeakPolarHBondContact CG2-O 3.35Å; I237-C241 WeakPolarHBondContact CA-O 3.44Å; I237-A242 HydrophobicContact CD1-CB 3.6Å
238K92.9Very high95Very high68 Ų6837.9 Ų37.930%0.29620%0.201SC..EExtended strand (participates in β ladder)trans-132.9101.9164.2-174.6-154.5-1721720108.9H188 F190 T193 K240 C241 F243H188-K238 PolarHBondContact NE2-NZ 3.36Å; F190-K238 HydrophobicContact CB-CD 3.41Å; F190-K238 VanDerWaalsContact CB-CD 3.41Å; F190-K238 HydrophobicContact CB-CG 4.14Å; F190-K238 VanDerWaalsContact CB-NZ 3.32Å; F190-K238 HydrophobicContact CD2-CB 3.69Å; F190-K238 HydrophobicContact CD2-CD 3.89Å; F190-K238 HydrophobicContact CD2-CG 3.92Å; F190-K238 HydrophobicContact CE2-CB 4.03Å; F190-K238 HydrophobicContact CG-CB 4.44Å; F190-K238 HydrophobicContact CG-CD 3.79Å; F190-K238 HydrophobicContact CG-CG 4.33Å; T193-K238 WeakPolarHBondContact OG1-CA 3.32Å; K238-K240 PolarHBondContact O-N 2.9Å; K238-C241 PolarHBondContact N-O 3.11Å; K238-C241 PolarHBondContact O-N 3.36Å; K238-F243 HydrophobicContact CB-CE2 4.04Å
239G86.9Confident95.1Very high58 Ų5839.6 Ų39.660%0.59821%0.21SC*.THydrogen-bonded Turntrans62.1-118.6-175.400000110.7T193 I237T193-G239 PolarHBondContact OG1-N 3.02Å; I237-G239 VanDerWaalsContact CG2-O 3.28Å; I237-G239 WeakPolarHBondContact CG2-O 3.35Å
240K84.9Confident95Very high211 Ų21133.6 Ų33.692%0.91719%0.185SC*.THydrogen-bonded Turntrans-89.1-9.4176-63.5-173.6179.9-177.80114K238K238-K240 PolarHBondContact O-N 2.9Å
241C91.3Very high94.4Very high69 Ų6933.6 Ų33.647%0.46619%0.187SC..EExtended strand (participates in β ladder)trans-89.6142.5-175.8-56.40000111.5I237 K238 F243I237-C241 WeakPolarHBondContact CA-O 3.44Å; K238-C241 PolarHBondContact N-O 3.11Å; K238-C241 PolarHBondContact O-N 3.36Å; C241-F243 HydrophobicContact CB-CD2 4.41Å; C241-F243 HydrophobicContact CB-CE2 3.51Å; C241-F243 HydrophobicContact CB-CZ 3.9Å
242A94.7Very high93.6Very high20 Ų2037.3 Ų37.317%0.16521%0.21CC..EExtended strand (participates in β ladder)trans-120.8134.8177.200000110.6L235 I237L235-A242 HydrophobicContact CB-CB 4.02Å; L235-A242 HydrophobicContact CD1-CB 3.77Å; I237-A242 HydrophobicContact CD1-CB 3.6Å
243F96.9Very high92.5Very high26 Ų2637.7 Ų37.711%0.11423%0.226CC..EExtended strand (participates in β ladder)trans-126.1131.5-173.2-63.8-91.1000110.6F190 L235 A236 K238 C241 I245 L248F190-F243 HydrophobicContact CE1-CD1 4.25Å; F190-F243 HydrophobicContact CE1-CD2 4.28Å; F190-F243 HydrophobicContact CE1-CE1 4.26Å; F190-F243 HydrophobicContact CE1-CE2 4.29Å; F190-F243 HydrophobicContact CE1-CG 4.27Å; F190-F243 HydrophobicContact CE1-CZ 4.29Å; F190-F243 AromaticContact CE2-CD2 3.96Å; F190-F243 HydrophobicContact CE2-CD2 3.96Å; F190-F243 HydrophobicContact CE2-CE2 4.21Å; F190-F243 HydrophobicContact CZ-CB 4.22Å; F190-F243 HydrophobicContact CZ-CD1 4.16Å; F190-F243 AromaticContact CZ-CD2 3.58Å; F190-F243 HydrophobicContact CZ-CD2 3.58Å; F190-F243 HydrophobicContact CZ-CE1 4.46Å; F190-F243 AromaticContact CZ-CE2 3.93Å; F190-F243 HydrophobicContact CZ-CE2 3.93Å; F190-F243 AromaticContact CZ-CG 3.72Å; F190-F243 HydrophobicContact CZ-CG 3.72Å; F190-F243 HydrophobicContact CZ-CZ 4.36Å; L235-F243 WeakPolarHBondContact CA-O 3.48Å; A236-F243 PolarHBondContact N-O 2.9Å; A236-F243 PolarHBondContact O-N 3.25Å; K238-F243 HydrophobicContact CB-CE2 4.04Å; C241-F243 HydrophobicContact CB-CD2 4.41Å; C241-F243 HydrophobicContact CB-CE2 3.51Å; C241-F243 HydrophobicContact CB-CZ 3.9Å; F243-I245 PolarHBondContact O-N 3.01Å; F243-L248 HydrophobicContact CB-CD1 4.01Å; F243-L248 HydrophobicContact CB-CD2 4.14Å; F243-L248 HydrophobicContact CB-CG 4.37Å
244P97.3Very high91.7Very high6 Ų638.7 Ų38.74%0.03923%0.23CC..EExtended strand (participates in β ladder)trans-59.6131.1170.2-23.234000111.1V216 F220 L228 L235 E246 L247V216-P244 HydrophobicContact CG1-CG 3.88Å; F220-P244 HydrophobicContact CD2-CG 3.95Å; F220-P244 VanDerWaalsContact CE2-CD 3.43Å; F220-P244 HydrophobicContact CE2-CG 3.85Å; F220-P244 HydrophobicContact CZ-CG 4.42Å; L228-P244 HydrophobicContact CD1-CB 3.93Å; L228-P244 HydrophobicContact CD1-CG 3.59Å; L228-P244 HydrophobicContact CD2-CB 4Å; L228-P244 HydrophobicContact CD2-CG 4Å; L228-P244 HydrophobicContact CG-CG 4.5Å; L235-P244 HydrophobicContact CD2-CB 4.37Å; L235-P244 HydrophobicContact CD2-CG 4.21Å; P244-E246 HydrophobicContact CB-CG 4.39Å; P244-E246 PolarHBondContact O-N 2.85Å; P244-L247 HydrophobicContact CB-CD1 4.38Å; P244-L247 HydrophobicContact CB-CG 4.27Å; P244-L247 HydrophobicContact CG-CD1 4.24Å; P244-L247 PolarHBondContact O-N 2.92Å; P244-L247 VanDerWaalsContact O-N 3.08Å
245I96.3Very high90.5Very high3 Ų347.2 Ų47.22%0.01526%0.262CS..G310 helixtrans-58.2-36.5-178.2-71172.3000111.7L146 L147 V150 L172 F195 P234 F243 L247 L248L146-I245 HydrophobicContact CB-CG2 4.34Å; L146-I245 HydrophobicContact CD2-CG1 4.43Å; L146-I245 HydrophobicContact CD2-CG2 4.06Å; L146-I245 HydrophobicContact CG-CG2 3.97Å; L147-I245 HydrophobicContact CB-CG2 4.3Å; L147-I245 HydrophobicContact CD1-CG2 3.94Å; V150-I245 HydrophobicContact CG2-CD1 4.5Å; V150-I245 HydrophobicContact CG2-CG2 4.05Å; L172-I245 HydrophobicContact CD1-CD1 4.41Å; F195-I245 HydrophobicContact CD1-CD1 4.04Å; F195-I245 HydrophobicContact CE1-CD1 3.8Å; F195-I245 HydrophobicContact CE1-CG1 4.09Å; P234-I245 HydrophobicContact CG-CD1 3.99Å; P234-I245 WeakPolarHBondContact O-CD1 3.39Å; P234-I245 VanDerWaalsContact O-CG1 3.27Å; P234-I245 WeakPolarHBondContact O-CG1 3.33Å; F243-I245 PolarHBondContact O-N 3.01Å; I245-L247 PolarHBondContact O-N 3.5Å; I245-L247 VanDerWaalsContact O-N 3.15Å; I245-L248 PolarHBondContact O-N 2.94Å
246E96.2Very high89.5Confident35 Ų3547.4 Ų47.416%0.16426%0.263CS..G310 helixtrans-65-15.9-179.874.7-174.8133.700114L147 L228 K229 Y230 P244L147-E246 HydrophobicContact CD2-CB 3.89Å; L228-E246 WeakPolarHBondContact CA-OE1 3.3Å; L228-E246 WeakPolarHBondContact CB-OE1 3.3Å; L228-E246 HydrophobicContact CD2-CG 4.18Å; L228-E246 VanDerWaalsContact CD2-OE1 3.28Å; L228-E246 WeakPolarHBondContact CD2-OE1 3.45Å; K229-E246 WeakPolarHBondContact CB-OE2 3.33Å; K229-E246 PolarHBondContact N-OE1 2.96Å; K229-E246 VanDerWaalsContact N-OE1 3.15Å; K229-E246 PolarHBondContact N-OE2 3.35Å; Y230-E246 HydrophobicContact CD2-CB 4.41Å; Y230-E246 PolarHBondContact N-OE1 3.34Å; Y230-E246 PolarHBondContact N-OE2 2.99Å; P244-E246 HydrophobicContact CB-CG 4.39Å; P244-E246 PolarHBondContact O-N 2.85Å
247L97.4Very high88.2Confident19 Ų1949.8 Ų49.810%0.09928%0.283CS..G310 helixtrans-100.413.4179.9-59.1-174.5000113.3A183 I184 F220 I226 L228 P244 I245A183-L247 WeakPolarHBondContact CA-O 3.42Å; I184-L247 WeakPolarHBondContact CG1-O 3.34Å; I184-L247 PolarHBondContact N-O 2.78Å; F220-L247 HydrophobicContact CD1-CD1 3.43Å; F220-L247 VanDerWaalsContact CD1-CD1 3.43Å; F220-L247 HydrophobicContact CE1-CD1 3.41Å; F220-L247 VanDerWaalsContact CE1-CD1 3.41Å; F220-L247 HydrophobicContact CG-CD1 4.11Å; F220-L247 HydrophobicContact CZ-CD1 4.08Å; I226-L247 HydrophobicContact CD1-CD1 4.43Å; I226-L247 HydrophobicContact CG2-CD1 4.29Å; I226-L247 HydrophobicContact CG2-CD2 4.06Å; L228-L247 HydrophobicContact CD2-CD1 3.7Å; L228-L247 HydrophobicContact CD2-CD2 4.36Å; L228-L247 HydrophobicContact CD2-CG 3.98Å; P244-L247 HydrophobicContact CB-CD1 4.38Å; P244-L247 HydrophobicContact CB-CG 4.27Å; P244-L247 HydrophobicContact CG-CD1 4.24Å; P244-L247 PolarHBondContact O-N 2.92Å; P244-L247 VanDerWaalsContact O-N 3.08Å; I245-L247 PolarHBondContact O-N 3.5Å; I245-L247 VanDerWaalsContact O-N 3.15Å
248L98Very high86.9Confident1 Ų154.2 Ų54.21%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-120.7135.6-175.6-60.3179.1000111.7L146 V181 A183 F190 A236 F243 I245L146-L248 HydrophobicContact CB-CB 4.01Å; L146-L248 VanDerWaalsContact CB-O 3.27Å; L146-L248 WeakPolarHBondContact CB-O 3.47Å; L146-L248 HydrophobicContact CD2-CB 3.98Å; L146-L248 HydrophobicContact CD2-CD1 3.84Å; L146-L248 PolarHBondContact N-O 3.04Å; V181-L248 HydrophobicContact CB-CB 4.38Å; V181-L248 HydrophobicContact CG2-CD1 4.28Å; V181-L248 HydrophobicContact CG2-CD2 4.2Å; A183-L248 HydrophobicContact CB-CD2 4.22Å; F190-L248 HydrophobicContact CE1-CD2 3.66Å; F190-L248 HydrophobicContact CZ-CD1 4.05Å; F190-L248 HydrophobicContact CZ-CD2 3.5Å; F190-L248 HydrophobicContact CZ-CG 4.45Å; A236-L248 HydrophobicContact CB-CD1 3.58Å; F243-L248 HydrophobicContact CB-CD1 4.01Å; F243-L248 HydrophobicContact CB-CD2 4.14Å; F243-L248 HydrophobicContact CB-CG 4.37Å; I245-L248 PolarHBondContact O-N 2.94Å
249N97.1Very high85.7Confident45 Ų4557.3 Ų57.324%0.24133%0.331CS..EExtended strand (participates in β ladder)trans-110.7130.5169.5-71.2-8.5000110.7G144 P145 V181 K182 L251G144-N249 CarbonylContact O-C 3.31Å; G144-N249 VanDerWaalsContact O-C 3.31Å; G144-N249 WeakPolarHBondContact O-CA 3.2Å; P145-N249 WeakPolarHBondContact CA-OD1 3.33Å; V181-N249 CarbonylContact C-O 3.38Å; V181-N249 WeakPolarHBondContact CA-O 3.33Å; V181-N249 WeakPolarHBondContact CB-O 3.26Å; K182-N249 PolarHBondContact N-O 3.14Å; K182-N249 PolarHBondContact O-N 3.07Å; N249-L251 PolarHBondContact O-N 2.7Å
250V93.8Very high85.1Confident3 Ų357.2 Ų57.22%0.01831%0.314CS..EExtended strand (participates in β ladder)trans-63.6129.4167.6-178.60000109.4F141 A142 G143 G144 L146 V179 V181F141-V250 HydrophobicContact CB-CG1 3.95Å; A142-V250 WeakPolarHBondContact O-CG1 3.43Å; G143-V250 WeakPolarHBondContact CA-O 2.7Å; G144-V250 PolarHBondContact N-O 3.17Å; G144-V250 VanDerWaalsContact N-O 3.15Å; G144-V250 PolarHBondContact O-N 3.37Å; L146-V250 HydrophobicContact CB-CG2 4.23Å; L146-V250 HydrophobicContact CD1-CG2 3.71Å; V179-V250 HydrophobicContact CG1-CG1 3.86Å; V179-V250 HydrophobicContact CG1-CG2 4.48Å; V181-V250 HydrophobicContact CG1-CG2 4.45Å
251L84.4Confident84.6Confident32 Ų3247.7 Ų47.717%0.16827%0.273CS..PPolyproline II helixtrans-72.2135.1174.4-66.8178.5000110.2K180 K182 R189 N249 Q254K180-L251 HydrophobicContact CB-CD1 3.85Å; K180-L251 PolarHBondContact O-N 3.15Å; K180-L251 VanDerWaalsContact O-N 3.13Å; K182-L251 HydrophobicContact CB-CD2 3.94Å; R189-L251 HydrophobicContact CG-CD1 4.33Å; N249-L251 PolarHBondContact O-N 2.7Å; L251-Q254 PolarHBondContact O-NE2 3.11Å
252P79.6Confident83.9Confident100 Ų10046.7 Ų46.765%0.64927%0.265SS*.THydrogen-bonded Turntrans-68.3165.817929.3-35.4000112.1Q254P252-Q254 VanDerWaalsContact C-N 3.28Å; P252-Q254 PolarHBondContact O-N 3.25Å
253G72.2Confident82.9Confident57 Ų5749.4 Ų49.459%0.58828%0.277SS*.THydrogen-bonded Turntrans75.112.4172.900000114.9F140F140-G253 VanDerWaalsContact CD1-C 3.4Å; F140-G253 WeakPolarHBondContact CD1-O 3.09Å; F140-G253 WeakPolarHBondContact CE1-O 3.13Å
254Q79.5Confident82.1Confident31 Ų3152.2 Ų52.215%0.14530%0.296CS..  trans-86.9113.7176-66.5-17682.800111.6F140 F141 K180 L251 P252F140-Q254 CarbonylContact C-O 3.59Å; F140-Q254 VanDerWaalsContact CA-O 3.26Å; F140-Q254 WeakPolarHBondContact CA-O 3.4Å; F140-Q254 VanDerWaalsContact CD1-C 3.46Å; F141-Q254 HydrophobicContact CB-CB 4.46Å; F141-Q254 HydrophobicContact CD2-CB 4.06Å; F141-Q254 PolarHBondContact N-O 3.02Å; K180-Q254 VanDerWaalsContact CB-OE1 3.29Å; K180-Q254 PolarHBondContact O-NE2 3.11Å; L251-Q254 PolarHBondContact O-NE2 3.11Å; P252-Q254 VanDerWaalsContact C-N 3.28Å; P252-Q254 PolarHBondContact O-N 3.25Å
255R69.7Low81.4Confident182 Ų18254.8 Ų54.869%0.68731%0.309SS*.BIsolated β-bridgetrans-63.8135.6179.2-171.8176.7176.2177.7-0.4111.2P139 F140P139-R255 WeakPolarHBondContact O-CA 3.49Å; F140-R255 HydrophobicContact CD1-CB 4.21Å; F140-R255 HydrophobicContact CE1-CB 3.96Å
256V76.1Confident80.5Confident5 Ų557.9 Ų57.93%0.0332%0.323CS..PPolyproline II helixtrans-86.5129.2174.2-175.40000109.1P139 F141 K260 L261P139-V256 HydrophobicContact CB-CB 4.05Å; P139-V256 HydrophobicContact CB-CG2 4.42Å; P139-V256 HydrophobicContact CG-CB 4.07Å; P139-V256 PolarHBondContact O-N 3.23Å; F141-V256 HydrophobicContact CD1-CG2 4.2Å; F141-V256 HydrophobicContact CD2-CG2 3.68Å; F141-V256 HydrophobicContact CE1-CG2 4.29Å; F141-V256 HydrophobicContact CE2-CB 4.4Å; F141-V256 HydrophobicContact CE2-CG2 3.79Å; F141-V256 HydrophobicContact CG-CG2 3.89Å; F141-V256 HydrophobicContact CZ-CG1 4.41Å; F141-V256 HydrophobicContact CZ-CG2 4.1Å; V256-K260 HydrophobicContact CG1-CB 3.96Å; V256-L261 HydrophobicContact CB-CD2 4.42Å; V256-L261 HydrophobicContact CG1-CD2 3.83Å; V256-L261 HydrophobicContact CG1-CG 4.34Å
257A71.2Confident79.8Confident49 Ų4963.6 Ų63.641%0.40534%0.344SS..PPolyproline II helixtrans-67.2143.5172.500000110.9T259 K260A257-T259 PolarHBondContact O-N 2.95Å; A257-T259 VanDerWaalsContact O-N 3.16Å; A257-K260 WeakPolarHBondContact O-CB 3.3Å; A257-K260 PolarHBondContact O-N 3.09Å
258L68.7Low79.1Confident119 Ų11967 Ų6762%0.62336%0.359SS*.G310 helixtrans-56.4-34.5-179.5-71.2172.2000112.9K260 L261 Q266L258-K260 PolarHBondContact O-N 2.85Å; L258-L261 HydrophobicContact CD2-CD1 3.77Å; L258-L261 WeakPolarHBondContact O-CB 3.22Å; L258-L261 PolarHBondContact O-N 3.4Å; L258-L261 VanDerWaalsContact O-N 3.12Å; L258-Q266 PolarHBondContact O-NE2 3.07Å
259T68.2Low78.2Confident133 Ų13368.7 Ų68.782%0.81637%0.368SS*.G310 helixtrans-63.7-21.7177.451.70000113.5A257A257-T259 PolarHBondContact O-N 2.95Å; A257-T259 VanDerWaalsContact O-N 3.16Å
260K73.2Confident77.4Confident56 Ų5671.5 Ų71.524%0.24338%0.381CS..G310 helixtrans-90.8-5.9177.3-66.3-172.7168.2-166.10113.1F141 L174 R175 K177 V256 A257 L258F141-K260 HydrophobicContact CZ-CD 4.44Å; L174-K260 WeakPolarHBondContact O-CE 3.23Å; R175-K260 PolarHBondContact NH1-O 2.81Å; R175-K260 WeakPolarHBondContact O-CD 3.04Å; R175-K260 WeakPolarHBondContact O-CE 3.48Å; R175-K260 PolarHBondContact O-NZ 3.32Å; K177-K260 PolarHBondContact O-NZ 3.13Å; V256-K260 HydrophobicContact CG1-CB 3.96Å; A257-K260 WeakPolarHBondContact O-CB 3.3Å; A257-K260 PolarHBondContact O-N 3.09Å; L258-K260 PolarHBondContact O-N 2.85Å
261L74.6Confident76.8Confident11 Ų1177.5 Ų77.56%0.05841%0.408CS..  trans-82.8138.1-178.5-62.2171.3000111.5P139 V256 L258 N265 Q266 I269P139-L261 HydrophobicContact CB-CD2 4.03Å; P139-L261 HydrophobicContact CG-CD1 4.13Å; P139-L261 HydrophobicContact CG-CD2 4.16Å; V256-L261 HydrophobicContact CB-CD2 4.42Å; V256-L261 HydrophobicContact CG1-CD2 3.83Å; V256-L261 HydrophobicContact CG1-CG 4.34Å; L258-L261 HydrophobicContact CD2-CD1 3.77Å; L258-L261 WeakPolarHBondContact O-CB 3.22Å; L258-L261 PolarHBondContact O-N 3.4Å; L258-L261 VanDerWaalsContact O-N 3.12Å; L261-N265 HydrophobicContact CB-CB 4.38Å; L261-N265 HydrophobicContact CD2-CB 4.15Å; L261-Q266 HydrophobicContact CB-CG 3.61Å; L261-Q266 HydrophobicContact CD1-CG 3.9Å; L261-Q266 HydrophobicContact CG-CG 4.45Å; L261-I269 HydrophobicContact CD1-CD1 3.66Å; L261-I269 HydrophobicContact CD2-CD1 3.98Å; L261-I269 HydrophobicContact CG-CD1 4.46Å
262T76.8Confident76.5Confident48 Ų4881.7 Ų81.729%0.29443%0.429SS..  trans-71.6163.3168.369.20000110.5V264 N265 Q266T262-V264 PolarHBondContact O-N 3.25Å; T262-N265 PolarHBondContact O-N 2.73Å; T262-N265 WeakPolarHBondContact OG1-CB 3.33Å; T262-N265 PolarHBondContact OG1-N 2.99Å; T262-N265 VanDerWaalsContact OG1-N 3.11Å; T262-N265 PolarHBondContact OG1-ND2 3.04Å; T262-N265 PolarHBondContact OG1-OD1 3.25Å; T262-Q266 WeakPolarHBondContact O-CG 3.35Å; T262-Q266 PolarHBondContact O-N 2.84Å
263D74.7Confident76.4Confident77 Ų7778.8 Ų78.841%0.41241%0.411SS..Hα-helixtrans-64.1-29.1175.6-71.5-29.8000112.9R267 K432D263-R267 VanDerWaalsContact O-CB 3.32Å; D263-R267 WeakPolarHBondContact O-CB 3.29Å; D263-R267 VanDerWaalsContact O-CG 3.24Å; D263-R267 WeakPolarHBondContact O-CG 3.46Å; D263-R267 PolarHBondContact O-N 3.43Å; D263-R267 PolarHBondContact O-NE 3.38Å; D263-K432 WeakPolarHBondContact OD1-CE 3.31Å; D263-K432 IonicContact OD1-NZ 3.82Å; D263-K432 PolarHBondContact OD1-NZ 2.8Å; D263-K432 WeakPolarHBondContact OD2-CE 3.17Å; D263-K432 IonicContact OD2-NZ 2.96Å
264V80Confident77Confident84 Ų8477 Ų7751%0.50939%0.392SS..Hα-helixtrans-67-49.8174.7179.40000108.9T262 Q266 R267 E268T262-V264 PolarHBondContact O-N 3.25Å; V264-Q266 VanDerWaalsContact C-N 3.35Å; V264-Q266 PolarHBondContact O-N 3.25Å; V264-R267 PolarHBondContact O-N 3.39Å; V264-E268 PolarHBondContact O-N 3.36Å
265N80.8Confident77.5Confident60 Ų6076.7 Ų76.732%0.32139%0.391SS..Hα-helixtrans-63.4-41.1-179.9-63.51.2000111.6L261 T262 E268 I269L261-N265 HydrophobicContact CB-CB 4.38Å; L261-N265 HydrophobicContact CD2-CB 4.15Å; T262-N265 PolarHBondContact O-N 2.73Å; T262-N265 WeakPolarHBondContact OG1-CB 3.33Å; T262-N265 PolarHBondContact OG1-N 2.99Å; T262-N265 VanDerWaalsContact OG1-N 3.11Å; T262-N265 PolarHBondContact OG1-ND2 3.04Å; T262-N265 PolarHBondContact OG1-OD1 3.25Å; N265-E268 PolarHBondContact O-N 3.41Å; N265-I269 WeakPolarHBondContact O-CB 3.12Å; N265-I269 WeakPolarHBondContact O-CD1 3.35Å; N265-I269 WeakPolarHBondContact O-CG1 3.38Å; N265-I269 PolarHBondContact O-N 2.66Å
266Q78.6Confident78.6Confident68 Ų6870.1 Ų70.132%0.31837%0.373SS..Hα-helixtrans-62.4-44.5175.4-72.4-177-8.200111.6L258 L261 T262 V264 I269 I270L258-Q266 PolarHBondContact O-NE2 3.07Å; L261-Q266 HydrophobicContact CB-CG 3.61Å; L261-Q266 HydrophobicContact CD1-CG 3.9Å; L261-Q266 HydrophobicContact CG-CG 4.45Å; T262-Q266 WeakPolarHBondContact O-CG 3.35Å; T262-Q266 PolarHBondContact O-N 2.84Å; V264-Q266 VanDerWaalsContact C-N 3.35Å; V264-Q266 PolarHBondContact O-N 3.25Å; Q266-I269 PolarHBondContact O-N 3.4Å; Q266-I270 WeakPolarHBondContact O-CB 2.92Å; Q266-I270 WeakPolarHBondContact O-CD1 3.45Å; Q266-I270 WeakPolarHBondContact O-CG1 3.28Å; Q266-I270 PolarHBondContact O-N 2.67Å
267R81.7Confident79.4Confident156 Ų15670 Ų7059%0.58937%0.371SS*.Hα-helixtrans-61.2-44.5176.5-80.4-178.4-77.9160.5-9.9112.2D263 V264 I270 K271D263-R267 VanDerWaalsContact O-CB 3.32Å; D263-R267 WeakPolarHBondContact O-CB 3.29Å; D263-R267 VanDerWaalsContact O-CG 3.24Å; D263-R267 WeakPolarHBondContact O-CG 3.46Å; D263-R267 PolarHBondContact O-N 3.43Å; D263-R267 PolarHBondContact O-NE 3.38Å; V264-R267 PolarHBondContact O-N 3.39Å; R267-I270 PolarHBondContact O-N 3.25Å; R267-K271 WeakPolarHBondContact O-CB 3.32Å; R267-K271 PolarHBondContact O-N 2.89Å
268E82.2Confident80.6Confident89 Ų8971 Ų7142%0.41637%0.366SS..Hα-helixtrans-66.2-41.7177.5-75.2-56147.300112.2V264 N265 I270 K271 L272V264-E268 PolarHBondContact O-N 3.36Å; N265-E268 PolarHBondContact O-N 3.41Å; E268-I270 VanDerWaalsContact C-N 3.3Å; E268-I270 PolarHBondContact O-N 2.98Å; E268-K271 WeakPolarHBondContact O-CB 3.18Å; E268-K271 PolarHBondContact O-N 3.08Å; E268-K271 VanDerWaalsContact O-N 3.15Å; E268-L272 WeakPolarHBondContact O-CB 3.41Å; E268-L272 WeakPolarHBondContact O-CG 3.46Å; E268-L272 PolarHBondContact O-N 2.84Å
269I79.8Confident81.8Confident38 Ų3869.6 Ų69.620%0.19536%0.355CS..Hα-helixtrans-60.6-42.1174.2-69.1160.4000111P139 L261 N265 Q266 K271 L272 S273P139-I269 HydrophobicContact CB-CD1 3.77Å; P139-I269 HydrophobicContact CG-CD1 4.06Å; L261-I269 HydrophobicContact CD1-CD1 3.66Å; L261-I269 HydrophobicContact CD2-CD1 3.98Å; L261-I269 HydrophobicContact CG-CD1 4.46Å; N265-I269 WeakPolarHBondContact O-CB 3.12Å; N265-I269 WeakPolarHBondContact O-CD1 3.35Å; N265-I269 WeakPolarHBondContact O-CG1 3.38Å; N265-I269 PolarHBondContact O-N 2.66Å; Q266-I269 PolarHBondContact O-N 3.4Å; I269-K271 VanDerWaalsContact C-N 3.34Å; I269-L272 PolarHBondContact O-N 3.43Å; I269-S273 VanDerWaalsContact O-CB 3.26Å; I269-S273 WeakPolarHBondContact O-CB 3.35Å; I269-S273 PolarHBondContact O-N 2.87Å; I269-S273 PolarHBondContact O-OG 3.49Å
270I79Confident82.9Confident103 Ų10364.3 Ų64.353%0.52832%0.321SS..Hα-helixtrans-61.3-46.1175.8-70.6163.8000109.9Q266 R267 E268 S273 A274Q266-I270 WeakPolarHBondContact O-CB 2.92Å; Q266-I270 WeakPolarHBondContact O-CD1 3.45Å; Q266-I270 WeakPolarHBondContact O-CG1 3.28Å; Q266-I270 PolarHBondContact O-N 2.67Å; R267-I270 PolarHBondContact O-N 3.25Å; E268-I270 VanDerWaalsContact C-N 3.3Å; E268-I270 PolarHBondContact O-N 2.98Å; I270-S273 PolarHBondContact O-N 2.9Å; I270-A274 VanDerWaalsContact O-CB 3.3Å; I270-A274 WeakPolarHBondContact O-CB 3.18Å; I270-A274 PolarHBondContact O-N 2.79Å
271K81.2Confident83.7Confident130 Ų13064.5 Ų64.557%0.56532%0.32SS*.Hα-helixtrans-60.3-46.4178.9-170.5-176.6176.8-169.60111.8R267 E268 I269 S273 A274R267-K271 WeakPolarHBondContact O-CB 3.32Å; R267-K271 PolarHBondContact O-N 2.89Å; E268-K271 WeakPolarHBondContact O-CB 3.18Å; E268-K271 PolarHBondContact O-N 3.08Å; E268-K271 VanDerWaalsContact O-N 3.15Å; I269-K271 VanDerWaalsContact C-N 3.34Å; K271-S273 VanDerWaalsContact C-N 3.32Å; K271-S273 PolarHBondContact O-N 3.4Å; K271-A274 PolarHBondContact O-N 3.28Å
272L78Confident84.5Confident119 Ų11966.5 Ų66.562%0.62333%0.331SS*.Hα-helixtrans-65.2-33.7176.3-69.7171.3000112.6E268 I269 A274E268-L272 WeakPolarHBondContact O-CB 3.41Å; E268-L272 WeakPolarHBondContact O-CG 3.46Å; E268-L272 PolarHBondContact O-N 2.84Å; I269-L272 PolarHBondContact O-N 3.43Å; L272-A274 VanDerWaalsContact C-N 3.33Å
273S78.9Confident85Confident39 Ų3966.4 Ų66.427%0.27333%0.328SS..Hα-helixtrans-80.3-17179.1-550000113T137 I269 I270 K271 V275 R280T137-S273 WeakPolarHBondContact CB-OG 3.49Å; I269-S273 VanDerWaalsContact O-CB 3.26Å; I269-S273 WeakPolarHBondContact O-CB 3.35Å; I269-S273 PolarHBondContact O-N 2.87Å; I269-S273 PolarHBondContact O-OG 3.49Å; I270-S273 PolarHBondContact O-N 2.9Å; K271-S273 VanDerWaalsContact C-N 3.32Å; K271-S273 PolarHBondContact O-N 3.4Å; S273-V275 PolarHBondContact O-N 2.96Å; S273-R280 PolarHBondContact O-NH2 3.32Å
274A84.5Confident85.5Confident21 Ų2163.6 Ų63.617%0.17431%0.313CS..  trans-84.461.2-178.500000111.6I270 K271 L272 Q684I270-A274 VanDerWaalsContact O-CB 3.3Å; I270-A274 WeakPolarHBondContact O-CB 3.18Å; I270-A274 PolarHBondContact O-N 2.79Å; K271-A274 PolarHBondContact O-N 3.28Å; L272-A274 VanDerWaalsContact C-N 3.33Å; A274-Q684 HydrophobicContact CB-CG 3.75Å
275V88.8Confident85.9Confident23 Ų2361.5 Ų61.514%0.13930%0.298CS..  trans-72.1124.4-179.3-173.20000110.6S273 Q279 R280 G685 T686S273-V275 PolarHBondContact O-N 2.96Å; V275-Q279 HydrophobicContact CG1-CB 3.67Å; V275-Q279 HydrophobicContact CG1-CG 3.67Å; V275-R280 HydrophobicContact CB-CB 4.33Å; V275-R280 HydrophobicContact CG1-CB 3.91Å; V275-R280 PolarHBondContact O-NH1 3.05Å; V275-G685 CarbonylContact O-C 3.35Å; V275-G685 WeakPolarHBondContact O-CA 3.24Å; V275-T686 PolarHBondContact O-N 3.42Å; V275-T686 PolarHBondContact O-OG1 3.13Å
276P93.1Very high86.1Confident45 Ų4561 Ų6129%0.29230%0.303SS..  trans-58.1154.6176.3-24.533.8000113Y278 Q279 R280P276-Y278 PolarHBondContact O-N 3.12Å; P276-Q279 PolarHBondContact O-N 2.83Å; P276-R280 WeakPolarHBondContact O-CB 3.35Å; P276-R280 PolarHBondContact O-N 2.99Å
277P94.4Very high86.2Confident1 Ų161.5 Ų61.51%0.00630%0.304CS..Hα-helixtrans-53.9-44.3-178.5-27.735.7000114.9Q279 R280 R281 F642 I646 Q655 N656 T686P277-Q279 PolarHBondContact O-N 2.82Å; P277-R280 PolarHBondContact O-N 3.19Å; P277-R281 WeakPolarHBondContact O-CB 3.35Å; P277-R281 PolarHBondContact O-N 2.82Å; P277-F642 HydrophobicContact CB-CD1 4.08Å; P277-F642 HydrophobicContact CB-CE1 4.33Å; P277-F642 WeakPolarHBondContact O-CE1 3.46Å; P277-I646 HydrophobicContact CB-CD1 4.17Å; P277-Q655 HydrophobicContact CB-CB 3.99Å; P277-Q655 HydrophobicContact CG-CB 3.73Å; P277-N656 HydrophobicContact CG-CB 4.26Å; P277-N656 VanDerWaalsContact CG-CG 3.41Å; P277-N656 WeakPolarHBondContact CG-OD1 3.38Å; P277-T686 HydrophobicContact CB-CG2 4.37Å; P277-T686 HydrophobicContact CG-CG2 4.26Å
278Y95.8Very high86.1Confident72 Ų7254.7 Ų54.728%0.28228%0.28SS..Hα-helixtrans-56.7-53.4177.6177.8-93.5000111.3P276 R281 N282 I646 P648P276-Y278 PolarHBondContact O-N 3.12Å; Y278-R281 PolarHBondContact O-N 2.98Å; Y278-N282 WeakPolarHBondContact CE1-ND2 3.22Å; Y278-N282 VanDerWaalsContact CZ-ND2 3.32Å; Y278-N282 PolarHBondContact O-N 3.28Å; Y278-I646 HydrophobicContact CD2-CB 4.34Å; Y278-I646 HydrophobicContact CD2-CG2 4.35Å; Y278-I646 WeakPolarHBondContact CD2-O 2.98Å; Y278-P648 HydrophobicContact CD1-CB 3.75Å; Y278-P648 HydrophobicContact CD2-CB 4.24Å; Y278-P648 HydrophobicContact CE1-CB 3.74Å; Y278-P648 HydrophobicContact CE1-CG 4.33Å; Y278-P648 HydrophobicContact CE2-CB 4.24Å; Y278-P648 HydrophobicContact CE2-CG 4.22Å; Y278-P648 HydrophobicContact CG-CB 4Å
279Q93.2Very high86Confident88 Ų8857.7 Ų57.741%0.41129%0.291SS..Hα-helixtrans-65.4-43.8-178.5-174.262.742.900111V275 P276 P277 R281 N282 D283V275-Q279 HydrophobicContact CG1-CB 3.67Å; V275-Q279 HydrophobicContact CG1-CG 3.67Å; P276-Q279 PolarHBondContact O-N 2.83Å; P277-Q279 PolarHBondContact O-N 2.82Å; Q279-R281 VanDerWaalsContact C-N 3.32Å; Q279-R281 PolarHBondContact O-N 3.04Å; Q279-N282 PolarHBondContact O-N 2.86Å; Q279-N282 VanDerWaalsContact O-N 3.15Å; Q279-D283 PolarHBondContact NE2-OD1 3.09Å; Q279-D283 PolarHBondContact O-N 3.11Å
280R90.9Very high85.9Confident22 Ų2263.4 Ų63.48%0.08332%0.317CS..Hα-helixtrans-62.3-40.2179.7-178.9160.6-67.2144.9-8.3111.9S273 V275 P276 P277 N282 D283 I284 F642 T686S273-R280 PolarHBondContact O-NH2 3.32Å; V275-R280 HydrophobicContact CB-CB 4.33Å; V275-R280 HydrophobicContact CG1-CB 3.91Å; V275-R280 PolarHBondContact O-NH1 3.05Å; P276-R280 WeakPolarHBondContact O-CB 3.35Å; P276-R280 PolarHBondContact O-N 2.99Å; P277-R280 PolarHBondContact O-N 3.19Å; R280-N282 VanDerWaalsContact C-N 3.32Å; R280-D283 PolarHBondContact O-N 3.26Å; R280-I284 HydrophobicContact CG-CD1 3.86Å; R280-I284 HydrophobicContact CG-CG1 4.4Å; R280-I284 WeakPolarHBondContact O-CB 3.19Å; R280-I284 WeakPolarHBondContact O-CD1 3.33Å; R280-I284 VanDerWaalsContact O-CG1 3.24Å; R280-I284 WeakPolarHBondContact O-CG1 3.41Å; R280-I284 PolarHBondContact O-N 3.25Å; R280-F642 HydrophobicContact CB-CE1 4.33Å; R280-F642 HydrophobicContact CG-CE1 4.41Å; R280-F642 HydrophobicContact CG-CZ 4.15Å; R280-T686 VanDerWaalsContact CD-OG1 3.26Å; R280-T686 WeakPolarHBondContact CD-OG1 3.37Å; R280-T686 PolarHBondContact NH1-OG1 2.69Å
281R91.4Very high85.6Confident61 Ų6162.5 Ų62.523%0.2331%0.312CS..Hα-helixtrans-58-48174.7-172.7-179.173.3174.36.2110.4P277 Y278 Q279 I284 M285 M311 F642 Q644P277-R281 WeakPolarHBondContact O-CB 3.35Å; P277-R281 PolarHBondContact O-N 2.82Å; Y278-R281 PolarHBondContact O-N 2.98Å; Q279-R281 VanDerWaalsContact C-N 3.32Å; Q279-R281 PolarHBondContact O-N 3.04Å; R281-I284 PolarHBondContact O-N 3.46Å; R281-M285 WeakPolarHBondContact O-CG 3.41Å; R281-M285 PolarHBondContact O-N 3.04Å; R281-M311 HydrophobicContact CG-CE 3.8Å; R281-M311 HydrophobicContact CG-SD 3.85Å; R281-F642 HydrophobicContact CB-CD1 3.95Å; R281-F642 HydrophobicContact CB-CE1 3.98Å; R281-F642 HydrophobicContact CB-CG 4.25Å; R281-F642 HydrophobicContact CB-CZ 4.31Å; R281-F642 HydrophobicContact CG-CD2 4.42Å; R281-F642 HydrophobicContact CG-CG 4.32Å; R281-Q644 PolarHBondContact NH1-O 3.19Å
282N91.5Very high85.2Confident53 Ų5357.1 Ų57.128%0.28329%0.294SS..Hα-helixtrans-66.3-42.2-179.7-64.4-11.6000112.3Y278 Q279 R280 I284 M285 A286Y278-N282 WeakPolarHBondContact CE1-ND2 3.22Å; Y278-N282 VanDerWaalsContact CZ-ND2 3.32Å; Y278-N282 PolarHBondContact O-N 3.28Å; Q279-N282 PolarHBondContact O-N 2.86Å; Q279-N282 VanDerWaalsContact O-N 3.15Å; R280-N282 VanDerWaalsContact C-N 3.32Å; N282-I284 VanDerWaalsContact C-N 3.3Å; N282-I284 PolarHBondContact O-N 2.89Å; N282-M285 PolarHBondContact O-N 2.9Å; N282-A286 WeakPolarHBondContact O-CB 3.36Å; N282-A286 PolarHBondContact O-N 3.5Å
283D87.1Confident85.1Confident45 Ų4553.1 Ų53.124%0.24127%0.273CS..Hα-helixtrans-60.4-41176-65.9-14.8000111.4Q279 R280 K287Q279-D283 PolarHBondContact NE2-OD1 3.09Å; Q279-D283 PolarHBondContact O-N 3.11Å; R280-D283 PolarHBondContact O-N 3.26Å; D283-K287 WeakPolarHBondContact O-CG 3.31Å; D283-K287 PolarHBondContact O-N 3.27Å; D283-K287 VanDerWaalsContact O-N 3.13Å
284I85.4Confident85.1Confident18 Ų1855 Ų559%0.09228%0.28CS..Hα-helixtrans-63.9-51.2175.1-69.3165.6000109.3V132 R280 R281 N282 A286 K287 V288 M311 F642V132-I284 HydrophobicContact CB-CG2 4.3Å; V132-I284 HydrophobicContact CG1-CG2 4.49Å; R280-I284 HydrophobicContact CG-CD1 3.86Å; R280-I284 HydrophobicContact CG-CG1 4.4Å; R280-I284 WeakPolarHBondContact O-CB 3.19Å; R280-I284 WeakPolarHBondContact O-CD1 3.33Å; R280-I284 VanDerWaalsContact O-CG1 3.24Å; R280-I284 WeakPolarHBondContact O-CG1 3.41Å; R280-I284 PolarHBondContact O-N 3.25Å; R281-I284 PolarHBondContact O-N 3.46Å; N282-I284 VanDerWaalsContact C-N 3.3Å; N282-I284 PolarHBondContact O-N 2.89Å; I284-A286 VanDerWaalsContact C-N 3.29Å; I284-A286 PolarHBondContact O-N 3.02Å; I284-K287 PolarHBondContact O-N 3.4Å; I284-K287 VanDerWaalsContact O-N 3.11Å; I284-V288 HydrophobicContact CG2-CG2 3.87Å; I284-V288 WeakPolarHBondContact O-CG2 3.31Å; I284-V288 PolarHBondContact O-N 3.3Å; I284-M311 HydrophobicContact CB-CE 3.86Å; I284-M311 HydrophobicContact CD1-CE 4.44Å; I284-M311 HydrophobicContact CG2-CE 3.58Å; I284-F642 HydrophobicContact CD1-CE2 4.22Å; I284-F642 HydrophobicContact CD1-CZ 3.97Å
285M87.2Confident84.6Confident40 Ų4059.9 Ų59.920%0.19730%0.299CS..Hα-helixtrans-60.8-36.3-179.8-68.6-47.8-63.800113.5R281 N282 V288 K289 D309 M311R281-M285 WeakPolarHBondContact O-CG 3.41Å; R281-M285 PolarHBondContact O-N 3.04Å; N282-M285 PolarHBondContact O-N 2.9Å; M285-V288 PolarHBondContact O-N 2.76Å; M285-K289 WeakPolarHBondContact O-CG 3.19Å; M285-K289 PolarHBondContact O-N 2.73Å; M285-D309 WeakPolarHBondContact CE-O 3.32Å; M285-M311 HydrophobicContact CG-CE 4.01Å; M285-M311 HydrophobicContact SD-CE 3.7Å; M285-M311 HydrophobicContact SD-CG 3.54Å; M285-M311 VanDerWaalsContact SD-CG 3.54Å; M285-M311 HydrophobicContact SD-SD 4.31Å
286A85.7Confident84.1Confident51 Ų5164.8 Ų64.842%0.42133%0.325SS..Hα-helixtrans-62-48.6173.700000110.8N282 I284 V288 K289N282-A286 WeakPolarHBondContact O-CB 3.36Å; N282-A286 PolarHBondContact O-N 3.5Å; I284-A286 VanDerWaalsContact C-N 3.29Å; I284-A286 PolarHBondContact O-N 3.02Å; A286-V288 PolarHBondContact O-N 2.92Å; A286-K289 WeakPolarHBondContact O-CB 3.38Å; A286-K289 PolarHBondContact O-N 2.66Å
287K80.8Confident83.3Confident77 Ų7764.6 Ų64.634%0.33532%0.321SS..Hα-helixtrans-64.6-36.5176.9-74.7-179.6169.1-149.10113.7T135 D283 I284 K289 E290 I291T135-K287 HydrophobicContact CG2-CD 4.05Å; D283-K287 WeakPolarHBondContact O-CG 3.31Å; D283-K287 PolarHBondContact O-N 3.27Å; D283-K287 VanDerWaalsContact O-N 3.13Å; I284-K287 PolarHBondContact O-N 3.4Å; I284-K287 VanDerWaalsContact O-N 3.11Å; K287-K289 PolarHBondContact O-N 2.89Å; K287-E290 WeakPolarHBondContact O-CB 3.34Å; K287-E290 PolarHBondContact O-N 3.37Å; K287-I291 PolarHBondContact O-N 2.74Å
288V79.5Confident82.4Confident14 Ų1471.5 Ų71.59%0.08535%0.351CS..Hα-helixtrans-57.5-37.4177.4-178.90000109.6V132 I284 M285 A286 E290 I291 R307V132-V288 HydrophobicContact CB-CG2 4.16Å; V132-V288 HydrophobicContact CG1-CG2 4.18Å; V132-V288 HydrophobicContact CG2-CG2 3.68Å; I284-V288 HydrophobicContact CG2-CG2 3.87Å; I284-V288 WeakPolarHBondContact O-CG2 3.31Å; I284-V288 PolarHBondContact O-N 3.3Å; M285-V288 PolarHBondContact O-N 2.76Å; A286-V288 PolarHBondContact O-N 2.92Å; V288-E290 PolarHBondContact O-N 2.94Å; V288-I291 PolarHBondContact O-N 3.2Å; V288-R307 HydrophobicContact CG1-CG 4.27Å; V288-R307 VanDerWaalsContact CG1-NH1 3.28Å; V288-R307 PolarHBondContact O-NE 3.12Å; V288-R307 VanDerWaalsContact O-NE 3.09Å
289K79.8Confident81.3Confident152 Ų15271.3 Ų71.366%0.66135%0.352SS*.Hα-helixtrans-66.3-22.9175.7-65.2177179.8-171.90113.8M285 A286 K287M285-K289 WeakPolarHBondContact O-CG 3.19Å; M285-K289 PolarHBondContact O-N 2.73Å; A286-K289 WeakPolarHBondContact O-CB 3.38Å; A286-K289 PolarHBondContact O-N 2.66Å; K287-K289 PolarHBondContact O-N 2.89Å
290E77.6Confident80.4Confident158 Ų15867.2 Ų67.274%0.73833%0.334SS*.Hα-helixtrans-85.9-14.6-179.6-62.4172.5-159.800113.7K287 V288 G292K287-E290 WeakPolarHBondContact O-CB 3.34Å; K287-E290 PolarHBondContact O-N 3.37Å; V288-E290 PolarHBondContact O-N 2.94Å; E290-G292 VanDerWaalsContact C-N 3.29Å; E290-G292 PolarHBondContact O-N 3.21Å
291I72.9Confident79.8Confident83 Ų8372.3 Ų72.343%0.42636%0.356SS..SBendtrans-71.5-22.2-174.4-67.1172.1000112.7L130 V132 K287 V288L130-I291 HydrophobicContact CD2-CD1 4.16Å; V132-I291 HydrophobicContact CB-CD1 4.49Å; V132-I291 HydrophobicContact CG1-CD1 3.95Å; V132-I291 HydrophobicContact CG2-CD1 3.77Å; K287-I291 PolarHBondContact O-N 2.74Å; V288-I291 PolarHBondContact O-N 3.2Å
292G73.4Confident78.9Confident17 Ų1772 Ų7218%0.17537%0.367CS..  trans86.3-149.2-167.300000111.9E290 D294 R307E290-G292 VanDerWaalsContact C-N 3.29Å; E290-G292 PolarHBondContact O-N 3.21Å; G292-D294 PolarHBondContact O-N 2.79Å; G292-R307 PolarHBondContact O-NE 3.07Å
293L75Confident77.9Confident35 Ų3571 Ų7118%0.18336%0.361CS..  trans57.525.7-176.7-61.3174.7000114D297 F299 R307L293-D297 VanDerWaalsContact CA-CB 3.44Å; L293-D297 VanDerWaalsContact N-CG 3.28Å; L293-D297 PolarHBondContact N-OD2 3.41Å; L293-F299 HydrophobicContact CD2-CD1 3.88Å; L293-R307 HydrophobicContact CB-CB 3.79Å; L293-R307 WeakPolarHBondContact O-CB 3.35Å; L293-R307 PolarHBondContact O-N 2.62Å
294D78.6Confident77.4Confident80 Ų8072.4 Ų72.443%0.42839%0.386SS..SBendtrans-75.6-178.8168.758.221.7000110.7G292 D296 D297G292-D294 PolarHBondContact O-N 2.79Å; D294-D296 PolarHBondContact O-N 3Å; D294-D296 PolarHBondContact OD1-N 3.44Å; D294-D297 WeakPolarHBondContact O-CB 3.48Å; D294-D297 PolarHBondContact O-N 2.89Å; D294-D297 VanDerWaalsContact O-N 3.11Å; D294-D297 PolarHBondContact OD1-N 3.39Å; D294-D297 VanDerWaalsContact OD1-N 3.12Å
295E73.7Confident76.8Confident122 Ų12273.9 Ų73.957%0.5739%0.394SS*.THydrogen-bonded Turntrans-60.5-15.6-176.5-71.8-176.5173.300113.5K301 R306E295-K301 WeakPolarHBondContact O-CE 3.45Å; E295-K301 PolarHBondContact O-NZ 3.47Å; E295-K301 VanDerWaalsContact O-NZ 3.11Å; E295-R306 IonicContact OE1-CZ 2.7Å; E295-R306 IonicContact OE1-NH1 3.58Å; E295-R306 PolarHBondContact OE1-NH1 3.07Å; E295-R306 IonicContact OE1-NH2 4Å; E295-R306 PolarHBondContact OE1-NH2 3.5Å; E295-R306 VanDerWaalsContact OE1-NH2 3.11Å
296D78.6Confident76.4Confident127 Ų12779.6 Ų79.668%0.67941%0.413SS*.THydrogen-bonded Turntrans-107.2-1.3-179.7-70.8-42.1000114.1D294 K298 K301D294-D296 PolarHBondContact O-N 3Å; D294-D296 PolarHBondContact OD1-N 3.44Å; D296-K298 PolarHBondContact O-N 3.13Å; D296-K301 IonicContact OD1-NZ 3.68Å; D296-K301 PolarHBondContact OD1-NZ 2.94Å
297D77.3Confident76.1Confident40 Ų4078.9 Ų78.921%0.21440%0.4CS..  trans-68.1119.2-179.9-169.6-75.1000111.5L293 D294 F299 G300 K301L293-D297 VanDerWaalsContact CA-CB 3.44Å; L293-D297 VanDerWaalsContact N-CG 3.28Å; L293-D297 PolarHBondContact N-OD2 3.41Å; D294-D297 WeakPolarHBondContact O-CB 3.48Å; D294-D297 PolarHBondContact O-N 2.89Å; D294-D297 VanDerWaalsContact O-N 3.11Å; D294-D297 PolarHBondContact OD1-N 3.39Å; D294-D297 VanDerWaalsContact OD1-N 3.12Å; D297-F299 VanDerWaalsContact C-N 3.29Å; D297-F299 PolarHBondContact O-N 3.42Å; D297-F299 WeakPolarHBondContact OD1-CA 3.47Å; D297-F299 VanDerWaalsContact OD1-CB 3.29Å; D297-F299 WeakPolarHBondContact OD1-CB 3.35Å; D297-F299 PolarHBondContact OD1-N 2.95Å; D297-G300 PolarHBondContact O-N 3Å; D297-G300 PolarHBondContact OD1-N 3.31Å; D297-K301 WeakPolarHBondContact O-CG 3.46Å; D297-K301 PolarHBondContact O-N 3.38Å
298K76Confident76.1Confident147 Ų14778.4 Ų78.464%0.63941%0.406SS*.Hα-helixtrans-63.1-34.6-178.5-66.8-176.2179.9-178.30112.8F58 D296 A302F58-K298 HydrophobicContact CD2-CB 4.31Å; F58-K298 HydrophobicContact CE2-CB 3.8Å; F58-K298 HydrophobicContact CE2-CD 4Å; F58-K298 HydrophobicContact CZ-CD 3.99Å; D296-K298 PolarHBondContact O-N 3.13Å; K298-A302 WeakPolarHBondContact O-CB 3.42Å; K298-A302 PolarHBondContact O-N 3.02Å; K298-A302 VanDerWaalsContact O-N 3.08Å
299F71.3Confident76.2Confident67 Ų6782.5 Ų82.529%0.29443%0.428SS..Hα-helixtrans-74.8-42.8179.5179.8-99.9000110.4F58 L59 L71 L293 D297 A302 L303F58-F299 WeakPolarHBondContact O-CD2 3.46Å; L59-F299 HydrophobicContact CD2-CB 4.09Å; L59-F299 HydrophobicContact CD2-CD2 3.76Å; L59-F299 HydrophobicContact CD2-CG 4.42Å; L71-F299 HydrophobicContact CD1-CD2 3.64Å; L71-F299 HydrophobicContact CD1-CE2 3.5Å; L71-F299 HydrophobicContact CD1-CZ 4.47Å; L71-F299 HydrophobicContact CG-CD2 4.48Å; L71-F299 HydrophobicContact CG-CE2 4.08Å; L293-F299 HydrophobicContact CD2-CD1 3.88Å; D297-F299 VanDerWaalsContact C-N 3.29Å; D297-F299 PolarHBondContact O-N 3.42Å; D297-F299 WeakPolarHBondContact OD1-CA 3.47Å; D297-F299 VanDerWaalsContact OD1-CB 3.29Å; D297-F299 WeakPolarHBondContact OD1-CB 3.35Å; D297-F299 PolarHBondContact OD1-N 2.95Å; F299-A302 PolarHBondContact O-N 2.95Å; F299-L303 HydrophobicContact CD1-CD1 3.72Å; F299-L303 HydrophobicContact CD2-CD1 4.24Å; F299-L303 HydrophobicContact CE1-CD1 3.23Å; F299-L303 HydrophobicContact CE2-CD1 3.83Å; F299-L303 HydrophobicContact CG-CD1 4.21Å; F299-L303 HydrophobicContact CZ-CD1 3.3Å; F299-L303 PolarHBondContact O-N 3.16Å
300G74.3Confident76.5Confident3 Ų382.5 Ų82.53%0.03143%0.428CS..Hα-helixtrans-57-49.3171.700000112.4D297 A302 L303 G304 I305D297-G300 PolarHBondContact O-N 3Å; D297-G300 PolarHBondContact OD1-N 3.31Å; G300-A302 PolarHBondContact O-N 3.49Å; G300-L303 CarbonylContact O-C 3.58Å; G300-L303 PolarHBondContact O-N 2.83Å; G300-G304 PolarHBondContact O-N 3.22Å; G300-I305 CarbonylContact C-O 3.46Å; G300-I305 VanDerWaalsContact C-O 3.27Å; G300-I305 WeakPolarHBondContact CA-O 3.37Å; G300-I305 PolarHBondContact O-N 2.89Å
301K79Confident76.9Confident128 Ų12878.2 Ų78.256%0.55741%0.408SS*.Hα-helixtrans-58.8-44.3175.2-74.6-178.6-173.4174.90112.6E295 D296 D297 L303 G304E295-K301 WeakPolarHBondContact O-CE 3.45Å; E295-K301 PolarHBondContact O-NZ 3.47Å; E295-K301 VanDerWaalsContact O-NZ 3.11Å; D296-K301 IonicContact OD1-NZ 3.68Å; D296-K301 PolarHBondContact OD1-NZ 2.94Å; D297-K301 WeakPolarHBondContact O-CG 3.46Å; D297-K301 PolarHBondContact O-N 3.38Å; K301-L303 VanDerWaalsContact C-N 3.25Å; K301-L303 PolarHBondContact O-N 3.05Å; K301-G304 PolarHBondContact O-N 2.94Å
302A72.2Confident77.6Confident56 Ų5677.2 Ų77.246%0.46340%0.403SS..Hα-helixtrans-63.7-31.5179.500000112.9L71 K298 F299 G300L71-A302 HydrophobicContact CD1-CB 4.38Å; K298-A302 WeakPolarHBondContact O-CB 3.42Å; K298-A302 PolarHBondContact O-N 3.02Å; K298-A302 VanDerWaalsContact O-N 3.08Å; F299-A302 PolarHBondContact O-N 2.95Å; G300-A302 PolarHBondContact O-N 3.49Å
303L71.2Confident78.4Confident31 Ų3180.9 Ų80.916%0.16243%0.432CS..Hα-helixtrans-93.5-7.4179.2-73169.3000114.1M1 L71 I108 F299 G300 K301 I305M1-L303 HydrophobicContact CE-CD2 3.27Å; M1-L303 HydrophobicContact CE-CG 4.16Å; M1-L303 HydrophobicContact SD-CD2 3.59Å; M1-L303 VanDerWaalsContact SD-CD2 3.59Å; L71-L303 HydrophobicContact CD1-CD1 4.33Å; L71-L303 HydrophobicContact CD1-CD2 4.13Å; L71-L303 HydrophobicContact CD1-CG 3.97Å; I108-L303 VanDerWaalsContact CD1-O 3.27Å; I108-L303 WeakPolarHBondContact CD1-O 3.35Å; F299-L303 HydrophobicContact CD1-CD1 3.72Å; F299-L303 HydrophobicContact CD2-CD1 4.24Å; F299-L303 HydrophobicContact CE1-CD1 3.23Å; F299-L303 HydrophobicContact CE2-CD1 3.83Å; F299-L303 HydrophobicContact CG-CD1 4.21Å; F299-L303 HydrophobicContact CZ-CD1 3.3Å; F299-L303 PolarHBondContact O-N 3.16Å; G300-L303 CarbonylContact O-C 3.58Å; G300-L303 PolarHBondContact O-N 2.83Å; K301-L303 VanDerWaalsContact C-N 3.25Å; K301-L303 PolarHBondContact O-N 3.05Å; L303-I305 HydrophobicContact CB-CB 4.31Å; L303-I305 HydrophobicContact CB-CD1 3.97Å; L303-I305 HydrophobicContact CB-CG1 3.99Å; L303-I305 HydrophobicContact CD1-CD1 4.4Å; L303-I305 PolarHBondContact O-N 2.84Å
304G75.2Confident79.1Confident74 Ų7482 Ų8276%0.76344%0.437SS*.THydrogen-bonded Turntrans6425.6-169.800000113.2G300 K301G300-G304 PolarHBondContact O-N 3.22Å; K301-G304 PolarHBondContact O-N 2.94Å
305I74.5Confident79.8Confident50 Ų5084.5 Ų84.526%0.25646%0.455SS..  trans-112.3133.2-178.8-60.2173.3000109.3G300 L303G300-I305 CarbonylContact C-O 3.46Å; G300-I305 VanDerWaalsContact C-O 3.27Å; G300-I305 WeakPolarHBondContact CA-O 3.37Å; G300-I305 PolarHBondContact O-N 2.89Å; L303-I305 HydrophobicContact CB-CB 4.31Å; L303-I305 HydrophobicContact CB-CD1 3.97Å; L303-I305 HydrophobicContact CB-CG1 3.99Å; L303-I305 HydrophobicContact CD1-CD1 4.4Å; L303-I305 PolarHBondContact O-N 2.84Å
306R77.3Confident80.7Confident159 Ų15980.2 Ų80.260%0.644%0.444SS*.  trans-124.7140.9174.5162.7-177.7170162.69.4109.7E295E295-R306 IonicContact OE1-CZ 2.7Å; E295-R306 IonicContact OE1-NH1 3.58Å; E295-R306 PolarHBondContact OE1-NH1 3.07Å; E295-R306 IonicContact OE1-NH2 4Å; E295-R306 PolarHBondContact OE1-NH2 3.5Å; E295-R306 VanDerWaalsContact OE1-NH2 3.11Å
307R80.4Confident81.6Confident36 Ų3678.3 Ų78.314%0.13643%0.427CS..  trans-82.5137.6169.7-176.6-176.162.871.6-8.4111V288 G292 L293V288-R307 HydrophobicContact CG1-CG 4.27Å; V288-R307 VanDerWaalsContact CG1-NH1 3.28Å; V288-R307 PolarHBondContact O-NE 3.12Å; V288-R307 VanDerWaalsContact O-NE 3.09Å; G292-R307 PolarHBondContact O-NE 3.07Å; L293-R307 HydrophobicContact CB-CB 3.79Å; L293-R307 WeakPolarHBondContact O-CB 3.35Å; L293-R307 PolarHBondContact O-N 2.62Å
308S80.3Confident82.5Confident68 Ų6880.4 Ų80.448%0.47644%0.441SS..  trans-72.6141.2166.6177.50000111.3K310S308-K310 VanDerWaalsContact C-N 3.29Å; S308-K310 PolarHBondContact OG-N 2.9Å; S308-K310 PolarHBondContact OG-O 2.92Å
309D81.3Confident83.4Confident100 Ų10074 Ų7454%0.53541%0.414SS..SBendtrans-870.217170.9-29.9000113M285M285-D309 WeakPolarHBondContact CE-O 3.32Å
310K85.7Confident84.5Confident152 Ų15275 Ų7566%0.66143%0.427SS*.SBendtrans-122.2143.7178.6-65.5172.1-171175.80110.5S308S308-K310 VanDerWaalsContact C-N 3.29Å; S308-K310 PolarHBondContact OG-N 2.9Å; S308-K310 PolarHBondContact OG-O 2.92Å
311M86.9Confident85.4Confident67 Ų6778.1 Ų78.133%0.3344%0.443SS..PPolyproline II helixtrans-63.5147.8166.6-68.6-174.717300109.9R281 I284 M285 A313 F642R281-M311 HydrophobicContact CG-CE 3.8Å; R281-M311 HydrophobicContact CG-SD 3.85Å; I284-M311 HydrophobicContact CB-CE 3.86Å; I284-M311 HydrophobicContact CD1-CE 4.44Å; I284-M311 HydrophobicContact CG2-CE 3.58Å; M285-M311 HydrophobicContact CG-CE 4.01Å; M285-M311 HydrophobicContact SD-CE 3.7Å; M285-M311 HydrophobicContact SD-CG 3.54Å; M285-M311 VanDerWaalsContact SD-CG 3.54Å; M285-M311 HydrophobicContact SD-SD 4.31Å; M311-A313 PolarHBondContact O-N 2.85Å; M311-F642 HydrophobicContact CE-CD2 4.39Å; M311-F642 HydrophobicContact CE-CE2 4.09Å; M311-F642 HydrophobicContact SD-CD2 3.85Å; M311-F642 HydrophobicContact SD-CE2 4.12Å
312M86.8Confident86Confident63 Ų6372.2 Ų72.231%0.3142%0.418SS..PPolyproline II helixtrans-56.9121.9171.7-174.2-174.9-71.800109.4L127 A129 I314L127-M312 HydrophobicContact CB-CE 3.89Å; A129-M312 HydrophobicContact CB-CE 4.17Å; M312-I314 HydrophobicContact CG-CG2 3.84Å; M312-I314 HydrophobicContact SD-CG2 3.83Å
313A90.2Very high87Confident94 Ų9470.4 Ų70.478%0.77740%0.402SS*.PPolyproline II helixtrans-83.7131.917000000108.4M311M311-A313 PolarHBondContact O-N 2.85Å
314I90.5Very high88.1Confident59 Ų5969 Ų6930%0.30340%0.395SS..  trans-139.1151.617956.1158.7000109.8M312 F641 V663M312-I314 HydrophobicContact CG-CG2 3.84Å; M312-I314 HydrophobicContact SD-CG2 3.83Å; I314-F641 HydrophobicContact CD1-CD1 3.64Å; I314-F641 HydrophobicContact CD1-CE1 3.46Å; I314-F641 VanDerWaalsContact CD1-CE1 3.46Å; I314-V663 HydrophobicContact CD1-CB 4.17Å; I314-V663 HydrophobicContact CD1-CG1 3.4Å; I314-V663 VanDerWaalsContact CD1-CG1 3.4Å; I314-V663 HydrophobicContact CD1-CG2 3.65Å
315T93.2Very high88.9Confident131 Ų13166.9 Ų66.980%0.80437%0.366SS*.  trans-97.5104.1171.8-58.50000108.6
316G93.1Very high89.9Confident33 Ų3364.5 Ų64.534%0.3435%0.354SS..  trans-84.9159.1167.100000111.2V662G316-V662 CarbonylContact C-O 3.58Å; G316-V662 VanDerWaalsContact CA-O 3.23Å; G316-V662 WeakPolarHBondContact CA-O 3.42Å
317R96.7Very high90.5Very high86 Ų8661.5 Ų61.533%0.32535%0.346SS..EExtended strand (participates in β ladder)trans-103.9148.5172.7-64.3179-67.2124.2-1.5109.5T661 V662 D664 D704R317-T661 CarbonylContact O-C 3.55Å; R317-T661 VanDerWaalsContact O-CA 3.24Å; R317-T661 WeakPolarHBondContact O-CA 3.41Å; R317-V662 PolarHBondContact N-O 2.95Å; R317-V662 PolarHBondContact O-N 2.94Å; R317-D664 IonicContact CZ-OD2 3.8Å; R317-D664 IonicContact NE-OD1 3.46Å; R317-D664 IonicContact NH2-OD1 2.62Å; R317-D664 IonicContact NH2-OD2 3.59Å; R317-D664 PolarHBondContact NH2-OD2 3.49Å; R317-D704 IonicContact CZ-OD1 3.68Å; R317-D704 IonicContact NH1-OD1 3.78Å; R317-D704 PolarHBondContact NH1-OD1 2.91Å; R317-D704 IonicContact NH2-OD1 3.98Å
318V96.6Very high90.5Very high84 Ų8462.7 Ų62.751%0.50936%0.36SS..EExtended strand (participates in β ladder)trans-108.6113.8170.8-176.10000107.2P658V318-P658 HydrophobicContact CG1-CG 4.22Å; V318-P658 HydrophobicContact CG2-CG 3.74Å
319L95.9Very high89.9Confident13 Ų1364.1 Ų64.17%0.06837%0.366CS..PPolyproline II helixtrans-62.1150.6178.6-65.7176.3000111.1G660 V662 L677 Q707 M708 Y711L319-G660 PolarHBondContact N-O 2.79Å; L319-V662 HydrophobicContact CD1-CG2 3.61Å; L319-V662 HydrophobicContact CD2-CG2 4.3Å; L319-V662 HydrophobicContact CG-CG2 3.72Å; L319-L677 HydrophobicContact CD1-CD1 4.21Å; L319-Q707 HydrophobicContact CD1-CB 4.44Å; L319-M708 HydrophobicContact CB-SD 4.34Å; L319-M708 HydrophobicContact CD1-SD 4.33Å; L319-Y711 HydrophobicContact CB-CD1 3.77Å; L319-Y711 HydrophobicContact CB-CE1 4.08Å; L319-Y711 HydrophobicContact CD1-CD1 3.8Å; L319-Y711 HydrophobicContact CD1-CG 4.05Å; L319-Y711 HydrophobicContact CG-CD1 4.47Å
320P93.7Very high89.3Confident88 Ų8862.6 Ų62.657%0.57137%0.374SS*.PPolyproline II helixtrans-54.8144.3176.6-25.134.4000112.6P322P320-P322 WeakPolarHBondContact O-CD 3.42Å
321D92.3Very high88Confident68 Ų6865.2 Ų65.236%0.36439%0.388SS..PPolyproline II helixtrans-61.8122175.2-81.5-18.7000109.5T337D321-T337 HydrophobicContact CB-CG2 3.62Å
322P92.6Very high86.7Confident5 Ų564.1 Ų64.13%0.03240%0.395CS..PPolyproline II helixtrans-74.8159.518029.6-31.9000110.5P320 V338 Y711 L712 Q715P320-P322 WeakPolarHBondContact O-CD 3.42Å; P322-V338 HydrophobicContact CG-CB 4.08Å; P322-V338 HydrophobicContact CG-CG2 4.44Å; P322-V338 WeakPolarHBondContact O-CB 3.19Å; P322-V338 PolarHBondContact O-N 2.73Å; P322-Y711 HydrophobicContact CG-CE1 4.21Å; P322-L712 HydrophobicContact CB-CD2 3.61Å; P322-Q715 HydrophobicContact CB-CG 4.46Å; P322-Q715 HydrophobicContact CG-CG 3.73Å
323S92.5Very high85.8Confident18 Ų1866.4 Ų66.413%0.12642%0.415CS..EExtended strand (participates in β ladder)trans-111.4144.6173-63.20000111S335 I336 N492S323-S335 WeakPolarHBondContact CB-OG 3.46Å; S323-I336 CarbonylContact C-O 3.53Å; S323-I336 VanDerWaalsContact CA-O 3.28Å; S323-I336 WeakPolarHBondContact CA-O 3.32Å; S323-N492 WeakPolarHBondContact O-CB 3.45Å; S323-N492 PolarHBondContact O-N 2.81Å
324V94Very high85.6Confident0 Ų063.9 Ų63.90%039%0.389CS..EExtended strand (participates in β ladder)trans-115.3141.1176.2-670000111Y326 S335 I336 V338 W343 N489 E490 Q715V324-Y326 HydrophobicContact CG2-CE2 3.97Å; V324-S335 WeakPolarHBondContact O-CA 3.31Å; V324-I336 HydrophobicContact CG2-CB 4.25Å; V324-I336 PolarHBondContact N-O 3.3Å; V324-I336 PolarHBondContact O-N 3.26Å; V324-V338 HydrophobicContact CG1-CG2 3.86Å; V324-V338 HydrophobicContact CG2-CG2 4.16Å; V324-W343 HydrophobicContact CG1-CZ2 4.4Å; V324-W343 HydrophobicContact CG2-CD2 4.2Å; V324-W343 HydrophobicContact CG2-CG 4.1Å; V324-N489 HydrophobicContact CB-CB 4.44Å; V324-E490 CarbonylContact C-O 3.54Å; V324-E490 WeakPolarHBondContact CA-O 3.48Å; V324-E490 WeakPolarHBondContact CB-O 3.48Å; V324-Q715 HydrophobicContact CG1-CB 3.99Å
325L93.1Very high85.6Confident31 Ų3162.6 Ų62.616%0.16239%0.385CS..EExtended strand (participates in β ladder)trans-98138.1-179.8-69.1174.1000111.8F351 N489 E490 N492L325-F351 HydrophobicContact CB-CD2 4.46Å; L325-N489 VanDerWaalsContact O-CA 3.31Å; L325-N489 WeakPolarHBondContact O-CA 3.43Å; L325-E490 HydrophobicContact CB-CB 4.35Å; L325-E490 PolarHBondContact N-O 3.38Å; L325-E490 PolarHBondContact O-N 3.32Å; L325-N492 HydrophobicContact CD1-CB 4.37Å; L325-N492 HydrophobicContact CD2-CB 4.26Å; L325-N492 WeakPolarHBondContact CD2-OD1 3.39Å; L325-N492 HydrophobicContact CG-CB 3.94Å
326Y94.1Very high85.5Confident0 Ų058 Ų580%036%0.355CS..  trans-117179.7171.7-79.6-81.8000110.2V324 S328 N334 I336 W343 M345 L348 K349 N488 N489 N721V324-Y326 HydrophobicContact CG2-CE2 3.97Å; Y326-S328 PolarHBondContact O-N 2.87Å; Y326-N334 PolarHBondContact N-O 2.8Å; Y326-N334 PolarHBondContact O-ND2 3.36Å; Y326-I336 HydrophobicContact CD2-CD1 4.02Å; Y326-I336 HydrophobicContact CE2-CD1 3.87Å; Y326-W343 AromaticContact CE2-NE1 3.81Å; Y326-W343 AromaticContact CZ-NE1 3.77Å; Y326-W343 PolarHBondContact OH-NE1 2.97Å; Y326-M345 HydrophobicContact CD1-CE 4.24Å; Y326-M345 HydrophobicContact CE1-CB 3.91Å; Y326-M345 HydrophobicContact CE1-CE 3.65Å; Y326-M345 HydrophobicContact CE1-SD 3.95Å; Y326-M345 HydrophobicContact CE2-CB 4.19Å; Y326-L348 HydrophobicContact CD1-CB 4.48Å; Y326-L348 HydrophobicContact CD2-CD1 3.68Å; Y326-L348 HydrophobicContact CE2-CD1 4.3Å; Y326-L348 HydrophobicContact CG-CB 4.22Å; Y326-L348 HydrophobicContact CG-CD1 4Å; Y326-K349 WeakPolarHBondContact CB-O 3.47Å; Y326-K349 VanDerWaalsContact CD1-O 3.27Å; Y326-K349 WeakPolarHBondContact CD1-O 3.29Å; Y326-N488 WeakPolarHBondContact CD1-O 3.31Å; Y326-N488 WeakPolarHBondContact CE1-O 3.21Å; Y326-N489 HydrophobicContact CE1-CB 4.09Å; Y326-N489 HydrophobicContact CE2-CB 4.24Å; Y326-N721 PolarHBondContact OH-ND2 2.97Å
327H90.4Very high85.5Confident95 Ų9559.2 Ų59.244%0.4436%0.356SS..  trans-63.1132.1178.7179.375.2000110.9K349 V350H327-K349 HydrophobicContact CB-CB 4.11Å; H327-K349 PolarHBondContact N-O 3.42Å; H327-V350 VanDerWaalsContact CB-O 3.29Å; H327-V350 WeakPolarHBondContact CB-O 3.2Å
328S81.5Confident85.3Confident61 Ų6155.1 Ų55.143%0.42734%0.341SS..  trans-76.1125.1175.7-172.70000110.4Y326 G330Y326-S328 PolarHBondContact O-N 2.87Å; S328-G330 PolarHBondContact OG-O 3.03Å
329V67.7Low85.1Confident98 Ų9859.4 Ų59.459%0.59435%0.348SS*.  trans-113.5102.4172-1760000107.9Q331 G332 K349V329-Q331 PolarHBondContact O-N 3.32Å; V329-G332 PolarHBondContact O-N 2.84Å; V329-K349 HydrophobicContact CG2-CG 4.48Å
330G66.8Low84.8Confident69 Ų6964 Ų6471%0.71137%0.372SS*.THydrogen-bonded Turntrans63.4-131.6-178.700000112.9S328S328-G330 PolarHBondContact OG-O 3.03Å
331Q58.8Low84.7Confident206 Ų20659.8 Ų59.896%0.96335%0.345SS*.THydrogen-bonded Turntrans-93.67.9177.5-68.1-173.6-21.600113.8V329V329-Q331 PolarHBondContact O-N 3.32Å
332G61.3Low84.7Confident45 Ų4559.1 Ų59.146%0.46434%0.343SS..SBendtrans-71.2148.6-177.500000113.6V329 N334V329-G332 PolarHBondContact O-N 2.84Å; G332-N334 PolarHBondContact O-N 3.14Å
333C67.7Low84.7Confident110 Ų11059.7 Ų59.774%0.74335%0.345SS*.  trans-66.4114.2173.8-173.70000110.3
334N85.6Confident84.6Confident42 Ų4262 Ų6223%0.22536%0.356CS..  trans-101.510.2-18069.5-29.6000113.2Y326 G332Y326-N334 PolarHBondContact N-O 2.8Å; Y326-N334 PolarHBondContact O-ND2 3.36Å; G332-N334 PolarHBondContact O-N 3.14Å
335S89.3Confident84.4Confident31 Ų3162.4 Ų62.422%0.21736%0.358CS..EExtended strand (participates in β ladder)trans-107.4135.3-179.6-169.10000110.4S323 V324 N492S323-S335 WeakPolarHBondContact CB-OG 3.46Å; V324-S335 WeakPolarHBondContact O-CA 3.31Å; S335-N492 PolarHBondContact OG-ND2 2.91Å
336I91.9Very high84Confident36 Ų3669 Ų6919%0.18538%0.381CS..EExtended strand (participates in β ladder)trans-123.7129.7173.7-61.7164.6000110.1S323 V324 Y326 W343 D344 L348S323-I336 CarbonylContact C-O 3.53Å; S323-I336 VanDerWaalsContact CA-O 3.28Å; S323-I336 WeakPolarHBondContact CA-O 3.32Å; V324-I336 HydrophobicContact CG2-CB 4.25Å; V324-I336 PolarHBondContact N-O 3.3Å; V324-I336 PolarHBondContact O-N 3.26Å; Y326-I336 HydrophobicContact CD2-CD1 4.02Å; Y326-I336 HydrophobicContact CE2-CD1 3.87Å; I336-W343 HydrophobicContact CG2-CB 3.86Å; I336-D344 WeakPolarHBondContact CD1-O 3.34Å; I336-L348 HydrophobicContact CD1-CD1 3.03Å; I336-L348 HydrophobicContact CD1-CG 4.39Å; I336-L348 HydrophobicContact CG1-CD1 3.59Å
337T92.6Very high83.6Confident58 Ų5876.7 Ų76.736%0.35642%0.421SS..EExtended strand (participates in β ladder)trans-70.7128.9168-47.90000111.6D321 R339D321-T337 HydrophobicContact CB-CG2 3.62Å; T337-R339 HydrophobicContact CG2-CG 4.15Å; T337-R339 PolarHBondContact O-N 2.94Å; T337-R339 VanDerWaalsContact O-N 3.15Å
338V93.4Very high83.7Confident0 Ų073.8 Ų73.80%041%0.409CS..  trans-82.388.7176.6179.10000109.8P322 V324 W343 Q715P322-V338 HydrophobicContact CG-CB 4.08Å; P322-V338 HydrophobicContact CG-CG2 4.44Å; P322-V338 WeakPolarHBondContact O-CB 3.19Å; P322-V338 PolarHBondContact O-N 2.73Å; V324-V338 HydrophobicContact CG1-CG2 3.86Å; V324-V338 HydrophobicContact CG2-CG2 4.16Å; V338-W343 HydrophobicContact CB-CE3 4.14Å; V338-W343 HydrophobicContact CG1-CE3 3.6Å; V338-W343 HydrophobicContact CG1-CZ3 3.99Å; V338-W343 HydrophobicContact CG2-CB 4.35Å; V338-W343 HydrophobicContact CG2-CD2 3.93Å; V338-W343 HydrophobicContact CG2-CE3 3.51Å; V338-W343 HydrophobicContact CG2-CG 4.31Å; V338-W343 HydrophobicContact CG2-CZ3 4Å; V338-Q715 HydrophobicContact CG1-CG 4.42Å; V338-Q715 HydrophobicContact CG2-CG 4.2Å
339R91.7Very high84.3Confident173 Ų17374.3 Ų74.365%0.65340%0.404SS*.BIsolated β-bridgetrans-83.5129.1-179-64.8-175.3-178.8173.71.2111.4T337 G341 V342T337-R339 HydrophobicContact CG2-CG 4.15Å; T337-R339 PolarHBondContact O-N 2.94Å; T337-R339 VanDerWaalsContact O-N 3.15Å; R339-G341 PolarHBondContact O-N 3.14Å; R339-G341 VanDerWaalsContact O-N 3.15Å; R339-V342 PolarHBondContact N-O 3.44Å; R339-V342 PolarHBondContact O-N 3.12Å; R339-V342 VanDerWaalsContact O-N 3.12Å
340N89.9Confident85.6Confident110 Ų11069.8 Ų69.859%0.58838%0.376SS*.THydrogen-bonded Turntrans50.638.7-179-64.5-53000112.5V342N340-V342 PolarHBondContact O-N 3Å
341G90.8Very high87Confident0 Ų069 Ų690%035%0.353CS..THydrogen-bonded Turntrans68.614.7176.900000115.2R339 R722 S723R339-G341 PolarHBondContact O-N 3.14Å; R339-G341 VanDerWaalsContact O-N 3.15Å; G341-R722 CarbonylContact O-C 3.57Å; G341-R722 WeakPolarHBondContact O-CA 3.42Å; G341-S723 PolarHBondContact O-N 3.41Å
342V93.2Very high88.7Confident54 Ų5462 Ų6233%0.32732%0.322SS..BIsolated β-bridgetrans-135.2143.9177.3-1740000109.5R339 N340 V681 R722R339-V342 PolarHBondContact N-O 3.44Å; R339-V342 PolarHBondContact O-N 3.12Å; R339-V342 VanDerWaalsContact O-N 3.12Å; N340-V342 PolarHBondContact O-N 3Å; V342-V681 HydrophobicContact CG2-CG1 3.95Å; V342-R722 HydrophobicContact CG1-CG 4.29Å; V342-R722 HydrophobicContact CG2-CG 4.2Å
343W93.4Very high90.4Very high16 Ų1662 Ų626%0.06132%0.315CS..  trans-139165.8169.268.5100.9000110.3V324 Y326 I336 V338 Q715 N721 R722V324-W343 HydrophobicContact CG1-CZ2 4.4Å; V324-W343 HydrophobicContact CG2-CD2 4.2Å; V324-W343 HydrophobicContact CG2-CG 4.1Å; Y326-W343 AromaticContact CE2-NE1 3.81Å; Y326-W343 AromaticContact CZ-NE1 3.77Å; Y326-W343 PolarHBondContact OH-NE1 2.97Å; I336-W343 HydrophobicContact CG2-CB 3.86Å; V338-W343 HydrophobicContact CB-CE3 4.14Å; V338-W343 HydrophobicContact CG1-CE3 3.6Å; V338-W343 HydrophobicContact CG1-CZ3 3.99Å; V338-W343 HydrophobicContact CG2-CB 4.35Å; V338-W343 HydrophobicContact CG2-CD2 3.93Å; V338-W343 HydrophobicContact CG2-CE3 3.51Å; V338-W343 HydrophobicContact CG2-CG 4.31Å; V338-W343 HydrophobicContact CG2-CZ3 4Å; W343-Q715 HydrophobicContact CH2-CB 4.28Å; W343-Q715 WeakPolarHBondContact CH2-O 3.45Å; W343-Q715 HydrophobicContact CZ3-CB 4.42Å; W343-Q715 HydrophobicContact CZ3-CG 4.46Å; W343-N721 HydrophobicContact CD2-CB 3.92Å; W343-N721 VanDerWaalsContact CE2-CA 3.48Å; W343-N721 VanDerWaalsContact CE3-C 3.45Å; W343-N721 HydrophobicContact CG-CB 4.2Å; W343-N721 VanDerWaalsContact CZ2-CA 3.41Å; W343-N721 HydrophobicContact CZ2-CB 4.02Å; W343-N721 VanDerWaalsContact CZ3-C 3.43Å; W343-N721 PolarHBondContact N-O 3.39Å; W343-N721 WeakPolarHBondContact O-CB 2.99Å; W343-R722 VanDerWaalsContact CZ3-CA 3.47Å; W343-R722 VanDerWaalsContact CZ3-N 3.25Å
344D89Confident91.8Very high68 Ų6857 Ų5736%0.36428%0.281SS..  trans-122.4135.1-179.5-160-30000109.4I336 R346I336-D344 WeakPolarHBondContact CD1-O 3.34Å; D344-R346 VanDerWaalsContact CG-NE 3.31Å; D344-R346 WeakPolarHBondContact OD1-CG 3.42Å; D344-R346 PolarHBondContact OD1-N 3.08Å; D344-R346 IonicContact OD1-NE 3.01Å; D344-R346 IonicContact OD2-CZ 3.32Å; D344-R346 IonicContact OD2-NE 3.79Å; D344-R346 PolarHBondContact OD2-NE 2.85Å; D344-R346 IonicContact OD2-NH2 2.72Å; D344-R346 PolarHBondContact OD2-NH2 3.49Å
345M90Very high92.3Very high7 Ų760.2 Ų60.23%0.03430%0.299CS..  trans-105.519.3177.772.9177.5-71.900112.5Y326 D347 L348 V350 M386 L474 L478 N721Y326-M345 HydrophobicContact CD1-CE 4.24Å; Y326-M345 HydrophobicContact CE1-CB 3.91Å; Y326-M345 HydrophobicContact CE1-CE 3.65Å; Y326-M345 HydrophobicContact CE1-SD 3.95Å; Y326-M345 HydrophobicContact CE2-CB 4.19Å; M345-D347 PolarHBondContact O-N 2.93Å; M345-L348 HydrophobicContact CB-CB 4.43Å; M345-L348 PolarHBondContact O-N 2.98Å; M345-L348 VanDerWaalsContact O-N 3.07Å; M345-V350 HydrophobicContact CE-CG1 3.92Å; M345-M386 HydrophobicContact CE-CB 4.32Å; M345-M386 HydrophobicContact CE-CE 3.99Å; M345-M386 HydrophobicContact CE-CG 4.09Å; M345-M386 HydrophobicContact SD-CE 4Å; M345-L474 HydrophobicContact CG-CD1 3.98Å; M345-L474 HydrophobicContact SD-CD1 3.59Å; M345-L474 VanDerWaalsContact SD-CD1 3.59Å; M345-L478 HydrophobicContact SD-CD2 4.06Å; M345-N721 WeakPolarHBondContact CB-ND2 3.41Å; M345-N721 WeakPolarHBondContact CG-ND2 3.29Å; M345-N721 PolarHBondContact SD-ND2 2.8Å
346R86Confident92.6Very high171 Ų17158.8 Ų58.865%0.64529%0.289SS*.THydrogen-bonded Turntrans-49.1132.8168-85-178.6-73.6160.22.5108.9D344 L348D344-R346 VanDerWaalsContact CG-NE 3.31Å; D344-R346 WeakPolarHBondContact OD1-CG 3.42Å; D344-R346 PolarHBondContact OD1-N 3.08Å; D344-R346 IonicContact OD1-NE 3.01Å; D344-R346 IonicContact OD2-CZ 3.32Å; D344-R346 IonicContact OD2-NE 3.79Å; D344-R346 PolarHBondContact OD2-NE 2.85Å; D344-R346 IonicContact OD2-NH2 2.72Å; D344-R346 PolarHBondContact OD2-NH2 3.49Å; R346-L348 PolarHBondContact O-N 3.12Å; R346-L348 VanDerWaalsContact O-N 3.14Å
347D85.7Confident92.7Very high160 Ų16061.4 Ų61.486%0.85630%0.303SS*.THydrogen-bonded Turntrans66.96.1179.7-45.2-49.1000116.2M345M345-D347 PolarHBondContact O-N 2.93Å
348L91.3Very high92.9Very high34 Ų3463.6 Ų63.618%0.17831%0.305CS..  trans-107.8162.5173.3-64.7178.4000113.1Y326 I336 M345 R346Y326-L348 HydrophobicContact CD1-CB 4.48Å; Y326-L348 HydrophobicContact CD2-CD1 3.68Å; Y326-L348 HydrophobicContact CE2-CD1 4.3Å; Y326-L348 HydrophobicContact CG-CB 4.22Å; Y326-L348 HydrophobicContact CG-CD1 4Å; I336-L348 HydrophobicContact CD1-CD1 3.03Å; I336-L348 HydrophobicContact CD1-CG 4.39Å; I336-L348 HydrophobicContact CG1-CD1 3.59Å; M345-L348 HydrophobicContact CB-CB 4.43Å; M345-L348 PolarHBondContact O-N 2.98Å; M345-L348 VanDerWaalsContact O-N 3.07Å; R346-L348 PolarHBondContact O-N 3.12Å; R346-L348 VanDerWaalsContact O-N 3.14Å
349K94.4Very high93.1Very high72 Ų7263.7 Ų63.731%0.31331%0.305SS..  trans-113.9140.2179.6-51.7-59.9-178.4179.20110.3Y326 H327 V329 R384 N385 M386Y326-K349 WeakPolarHBondContact CB-O 3.47Å; Y326-K349 VanDerWaalsContact CD1-O 3.27Å; Y326-K349 WeakPolarHBondContact CD1-O 3.29Å; H327-K349 HydrophobicContact CB-CB 4.11Å; H327-K349 PolarHBondContact N-O 3.42Å; V329-K349 HydrophobicContact CG2-CG 4.48Å; K349-R384 PolarHBondContact NZ-O 3.3Å; K349-N385 WeakPolarHBondContact CD-O 3.36Å; K349-N385 PolarHBondContact NZ-O 3.03Å; K349-M386 CarbonylContact C-O 3.52Å; K349-M386 VanDerWaalsContact CA-O 3.29Å; K349-M386 WeakPolarHBondContact CA-O 3.24Å
350V95.7Very high93.4Very high3 Ų355.4 Ų55.42%0.01827%0.274CS..  trans-51.4142.1178.3-68.20000111.4H327 M345 L352 M386 V388 N488H327-V350 VanDerWaalsContact CB-O 3.29Å; H327-V350 WeakPolarHBondContact CB-O 3.2Å; M345-V350 HydrophobicContact CE-CG1 3.92Å; V350-L352 PolarHBondContact O-N 2.95Å; V350-M386 HydrophobicContact CG1-CB 4.41Å; V350-M386 HydrophobicContact CG1-CE 3.95Å; V350-M386 PolarHBondContact N-O 2.96Å; V350-V388 HydrophobicContact CG1-CG2 4.28Å; V350-V388 HydrophobicContact CG2-CG2 3.95Å; V350-N488 WeakPolarHBondContact CA-O 3.48Å
351F95.4Very high93.8Very high53 Ų5350.2 Ų50.223%0.23225%0.246CC..SBendtrans-52-49.8-175.7-176.7-100.4000113.3L325 V487 N488 E490 T545L325-F351 HydrophobicContact CB-CD2 4.46Å; F351-V487 HydrophobicContact CD1-CB 4.38Å; F351-V487 HydrophobicContact CD1-CG1 4.25Å; F351-V487 PolarHBondContact N-O 3.34Å; F351-N488 PolarHBondContact N-O 3.45Å; F351-E490 HydrophobicContact CD1-CG 3.58Å; F351-E490 HydrophobicContact CD2-CB 4.35Å; F351-E490 HydrophobicContact CD2-CG 4.13Å; F351-E490 HydrophobicContact CE1-CG 3.55Å; F351-E490 HydrophobicContact CE2-CB 4.34Å; F351-E490 HydrophobicContact CE2-CG 4.08Å; F351-E490 HydrophobicContact CG-CB 4.49Å; F351-E490 HydrophobicContact CG-CG 3.9Å; F351-E490 HydrophobicContact CZ-CB 4.48Å; F351-E490 HydrophobicContact CZ-CG 3.81Å; F351-T545 HydrophobicContact CE1-CG2 4.05Å
352L95.4Very high94.1Very high59 Ų5950.2 Ų50.231%0.30925%0.246SC..BIsolated β-bridgetrans-126.1122.1167.9-67.6175.4000109.9V350 N481 G486 V487 T545V350-L352 PolarHBondContact O-N 2.95Å; L352-N481 PolarHBondContact O-ND2 2.76Å; L352-N481 VanDerWaalsContact O-ND2 3.12Å; L352-G486 CarbonylContact O-C 3.53Å; L352-G486 WeakPolarHBondContact O-CA 3.44Å; L352-V487 HydrophobicContact CB-CB 4.03Å; L352-V487 HydrophobicContact CB-CG2 4.38Å; L352-V487 HydrophobicContact CD1-CB 4.32Å; L352-V487 HydrophobicContact CD1-CG2 4.04Å; L352-V487 HydrophobicContact CG-CB 4.43Å; L352-V487 PolarHBondContact N-O 3.35Å; L352-V487 PolarHBondContact O-N 2.9Å; L352-V487 VanDerWaalsContact O-O 3.07Å; L352-T545 HydrophobicContact CD1-CG2 3.53Å
353S96Very high94.2Very high45 Ų4547.6 Ų47.632%0.31523%0.23SC..  trans-78.8132.2173.9177.30000111.1G387 V388 K389S353-G387 VanDerWaalsContact CB-O 3.31Å; S353-G387 WeakPolarHBondContact CB-O 3.4Å; S353-G387 PolarHBondContact OG-O 3.27Å; S353-G387 VanDerWaalsContact OG-O 3.05Å; S353-V388 WeakPolarHBondContact OG-CA 3.49Å; S353-K389 PolarHBondContact OG-N 3.2Å
354A96.2Very high94.3Very high4 Ų447.2 Ų47.23%0.03323%0.229CC..  trans-66.5164158.600000111.4V356 K389 N481 N484A354-V356 HydrophobicContact CB-CG2 4.36Å; A354-K389 PolarHBondContact O-N 2.83Å; A354-N481 WeakPolarHBondContact CB-OD1 3.2Å; A354-N481 PolarHBondContact N-OD1 3.44Å; A354-N484 HydrophobicContact CB-CB 3.62Å; A354-N484 VanDerWaalsContact CB-O 3.24Å; A354-N484 WeakPolarHBondContact CB-O 3.47Å
355N96.4Very high94.3Very high111 Ų11145.2 Ų45.259%0.59422%0.22SC*.EExtended strand (participates in β ladder)trans-116111.8167.8-172.221.6000109.7
356V96.5Very high94Very high0 Ų053.1 Ų53.10%025%0.25CC..EExtended strand (participates in β ladder)trans-116.773.1-177.3-172.60000108.9A354 W359 K389 M390 S391 F423 V480 N484A354-V356 HydrophobicContact CB-CG2 4.36Å; V356-W359 HydrophobicContact CG1-CB 3.99Å; V356-W359 HydrophobicContact CG1-CG 4.2Å; V356-K389 PolarHBondContact N-O 3.04Å; V356-M390 HydrophobicContact CB-CB 4.27Å; V356-M390 HydrophobicContact CB-CG 4.06Å; V356-M390 HydrophobicContact CG1-CE 4.37Å; V356-M390 HydrophobicContact CG1-CG 4.17Å; V356-M390 VanDerWaalsContact O-CA 3.31Å; V356-M390 WeakPolarHBondContact O-CA 3.22Å; V356-S391 PolarHBondContact O-N 3.47Å; V356-F423 HydrophobicContact CG1-CB 4.02Å; V356-F423 HydrophobicContact CG1-CD1 3.63Å; V356-F423 HydrophobicContact CG1-CE1 4.48Å; V356-F423 HydrophobicContact CG1-CG 4.08Å; V356-V480 HydrophobicContact CG2-CG1 4.41Å; V356-N484 HydrophobicContact CG2-CB 3.76Å
357D94.6Very high94.3Very high92 Ų9247 Ų4749%0.49223%0.227SC..  trans-84.2-60.4-174.5-173.234.2000111.9S391D357-S391 WeakPolarHBondContact O-CB 3.41Å
358R96.3Very high94.7Very high104 Ų10442.5 Ų42.539%0.39221%0.206SC..SBendtrans-96.598.8-179.8-59.6-73-74.2-163.3-6.4110.7D419 Q420 V421 T422R358-D419 PolarHBondContact NE-O 2.98Å; R358-D419 PolarHBondContact NH2-O 3.14Å; R358-Q420 WeakPolarHBondContact CB-O 3.33Å; R358-V421 WeakPolarHBondContact O-CA 3.43Å; R358-T422 PolarHBondContact O-N 3.45Å; R358-T422 PolarHBondContact O-OG1 3.01Å
359W97.6Very high94.8Very high1 Ų145.9 Ų45.90%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-131.7158.5-179.568.4-76.3000113.5V356 V361 M376 V380 M390 S391 T393 F394 A395 F423 L425V356-W359 HydrophobicContact CG1-CB 3.99Å; V356-W359 HydrophobicContact CG1-CG 4.2Å; W359-V361 HydrophobicContact CE3-CG2 4.17Å; W359-V361 HydrophobicContact CH2-CG2 4.16Å; W359-V361 HydrophobicContact CZ3-CG2 3.47Å; W359-V361 VanDerWaalsContact CZ3-CG2 3.47Å; W359-M376 HydrophobicContact CH2-CB 4.12Å; W359-M376 HydrophobicContact CH2-CG 3.96Å; W359-M376 HydrophobicContact CH2-SD 3.98Å; W359-M376 HydrophobicContact CZ3-CG 4.44Å; W359-M376 HydrophobicContact CZ3-SD 4.04Å; W359-V380 HydrophobicContact CZ2-CG2 4.04Å; W359-M390 HydrophobicContact CD2-CE 3.54Å; W359-M390 HydrophobicContact CE3-CE 3.83Å; W359-M390 HydrophobicContact CG-CE 4.11Å; W359-M390 HydrophobicContact CH2-CE 3.86Å; W359-M390 HydrophobicContact CZ2-CE 3.59Å; W359-M390 HydrophobicContact CZ3-CE 3.96Å; W359-S391 PolarHBondContact NE1-O 2.76Å; W359-S391 VanDerWaalsContact NE1-O 3.16Å; W359-T393 PolarHBondContact NE1-O 3.13Å; W359-F394 HydrophobicContact CD2-CB 4.01Å; W359-F394 HydrophobicContact CE3-CB 4.09Å; W359-F394 HydrophobicContact CH2-CB 4.06Å; W359-F394 HydrophobicContact CH2-CD1 4.1Å; W359-F394 HydrophobicContact CZ2-CB 3.96Å; W359-F394 HydrophobicContact CZ2-CD1 4.4Å; W359-F394 HydrophobicContact CZ3-CB 4.13Å; W359-F394 CarbonylContact O-C 3.49Å; W359-F394 WeakPolarHBondContact O-CA 3.43Å; W359-F394 WeakPolarHBondContact O-CB 3.35Å; W359-A395 PolarHBondContact O-N 3.11Å; W359-F423 CarbonylContact C-O 3.6Å; W359-F423 WeakPolarHBondContact CA-O 3.45Å; W359-F423 HydrophobicContact CB-CB 4.08Å; W359-F423 HydrophobicContact CB-CD1 3.72Å; W359-F423 HydrophobicContact CB-CG 4.38Å; W359-F423 WeakPolarHBondContact CB-O 3.49Å; W359-F423 HydrophobicContact CE3-CE1 4.5Å; W359-F423 HydrophobicContact CG-CD1 4.39Å; W359-L425 HydrophobicContact CZ3-CB 4.48Å
360A98.2Very high94.8Very high0 Ų047.4 Ų47.40%023%0.231CC..EExtended strand (participates in β ladder)trans-131164-179.100000113.2N396 L415 V421 F423 V424 L425A360-N396 WeakPolarHBondContact CA-O 3.26Å; A360-N396 HydrophobicContact CB-CB 3.96Å; A360-N396 WeakPolarHBondContact CB-O 3.43Å; A360-L415 HydrophobicContact CB-CD1 3.92Å; A360-L415 HydrophobicContact CB-CD2 4.1Å; A360-V421 HydrophobicContact CB-CG1 4.03Å; A360-V421 HydrophobicContact CB-CG2 4.04Å; A360-F423 PolarHBondContact N-O 3.27Å; A360-V424 HydrophobicContact CB-CG2 4.37Å; A360-V424 WeakPolarHBondContact O-CA 3.04Å; A360-L425 PolarHBondContact O-N 2.94Å
361V97.9Very high94.8Very high0 Ų050.9 Ų50.90%025%0.247CC..EExtended strand (participates in β ladder)trans-118.5122.5174.6-179.10000110.7W359 V372 M376 F394 N396 Y397 A398 L425 L427W359-V361 HydrophobicContact CE3-CG2 4.17Å; W359-V361 HydrophobicContact CH2-CG2 4.16Å; W359-V361 HydrophobicContact CZ3-CG2 3.47Å; W359-V361 VanDerWaalsContact CZ3-CG2 3.47Å; V361-V372 HydrophobicContact CG1-CG1 3.84Å; V361-M376 HydrophobicContact CG1-CE 4.22Å; V361-M376 HydrophobicContact CG2-CE 4.3Å; V361-M376 HydrophobicContact CG2-CG 4.11Å; V361-M376 HydrophobicContact CG2-SD 4.13Å; V361-F394 HydrophobicContact CG2-CB 4.31Å; V361-F394 HydrophobicContact CG2-CD1 3.96Å; V361-F394 HydrophobicContact CG2-CG 4.14Å; V361-N396 PolarHBondContact N-O 2.79Å; V361-Y397 HydrophobicContact CB-CD2 4.04Å; V361-Y397 HydrophobicContact CG1-CD2 4.05Å; V361-Y397 HydrophobicContact CG1-CE2 4.3Å; V361-Y397 WeakPolarHBondContact O-CA 3.15Å; V361-A398 PolarHBondContact O-N 2.78Å; V361-A398 VanDerWaalsContact O-N 3.15Å; V361-L425 WeakPolarHBondContact CA-O 3.42Å; V361-L427 HydrophobicContact CG1-CD1 4.34Å; V361-L427 HydrophobicContact CG1-CG 4.39Å
362A96.9Very high94.8Very high0 Ų048.4 Ų48.40%024%0.236CC..EExtended strand (participates in β ladder)trans-108.7109.8174.800000109.8F364 L400 Y411 V424 L425 C426 L427A362-F364 HydrophobicContact CB-CD2 4.5Å; A362-F364 HydrophobicContact CB-CE2 3.74Å; A362-F364 HydrophobicContact CB-CZ 4.3Å; A362-L400 HydrophobicContact CB-CD1 4.07Å; A362-Y411 HydrophobicContact CB-CE1 4.14Å; A362-V424 HydrophobicContact CB-CG1 3.89Å; A362-L425 PolarHBondContact N-O 3.08Å; A362-C426 CarbonylContact O-C 3.59Å; A362-C426 WeakPolarHBondContact O-CA 3.24Å; A362-L427 PolarHBondContact O-N 3.34Å
363N96.1Very high94.8Very high0 Ų049.5 Ų49.50%024%0.24CC..EExtended strand (participates in β ladder)trans-102103-174.9-177.911.8000112C365 R366 Y367 Y397 A398 N399 L400 L427N363-C365 PolarHBondContact OD1-N 2.87Å; N363-C365 VanDerWaalsContact OD1-N 3.16Å; N363-C365 PolarHBondContact OD1-SG 3.29Å; N363-R366 PolarHBondContact OD1-N 2.75Å; N363-Y367 PolarHBondContact ND2-N 3.32Å; N363-Y367 PolarHBondContact ND2-O 2.75Å; N363-Y397 HydrophobicContact CB-CE2 4.22Å; N363-Y397 PolarHBondContact ND2-OH 3.47Å; N363-A398 PolarHBondContact N-O 2.84Å; N363-N399 PolarHBondContact ND2-OD1 3.16Å; N363-L400 PolarHBondContact O-N 2.91Å; N363-L427 HydrophobicContact CB-CD1 4.49Å
364F94.7Very high94.8Very high7 Ų749.9 Ų49.93%0.03124%0.237CC..SBendtrans-96.10176.4-56.4-90.8000114.1A362 L400 L408 C426 L427 L436 I440A362-F364 HydrophobicContact CB-CD2 4.5Å; A362-F364 HydrophobicContact CB-CE2 3.74Å; A362-F364 HydrophobicContact CB-CZ 4.3Å; F364-L400 WeakPolarHBondContact CA-O 3.12Å; F364-L400 HydrophobicContact CD1-CB 3.67Å; F364-L400 HydrophobicContact CE1-CB 3.53Å; F364-L400 HydrophobicContact CE1-CD1 3.76Å; F364-L400 HydrophobicContact CE1-CG 4.32Å; F364-L400 HydrophobicContact CE2-CD1 4.31Å; F364-L400 HydrophobicContact CG-CB 4.42Å; F364-L400 HydrophobicContact CZ-CB 4.19Å; F364-L400 HydrophobicContact CZ-CD1 3.59Å; F364-L408 HydrophobicContact CE1-CD2 3.85Å; F364-L408 HydrophobicContact CZ-CD2 3.59Å; F364-C426 HydrophobicContact CE2-CB 4.23Å; F364-L427 WeakPolarHBondContact CA-O 3.32Å; F364-L427 VanDerWaalsContact CB-O 3.27Å; F364-L427 WeakPolarHBondContact CB-O 3.18Å; F364-L427 WeakPolarHBondContact CD2-O 3.27Å; F364-L427 PolarHBondContact N-O 2.95Å; F364-L436 HydrophobicContact CB-CD2 3.96Å; F364-L436 HydrophobicContact CD1-CD1 4.35Å; F364-L436 HydrophobicContact CD1-CD2 4.11Å; F364-L436 HydrophobicContact CD2-CD2 4.39Å; F364-L436 HydrophobicContact CE1-CD1 4.26Å; F364-L436 HydrophobicContact CG-CD2 3.91Å; F364-I440 HydrophobicContact CD2-CD1 4.37Å; F364-I440 HydrophobicContact CE2-CD1 3.85Å; F364-I440 HydrophobicContact CZ-CD1 4.26Å
365C89.7Confident94.8Very high27 Ų2749.7 Ų49.718%0.18224%0.235CC..SBendtrans-110.911-176.344.50000113.7N363 Y367 L427 A457N363-C365 PolarHBondContact OD1-N 2.87Å; N363-C365 VanDerWaalsContact OD1-N 3.16Å; N363-C365 PolarHBondContact OD1-SG 3.29Å; C365-Y367 HydrophobicContact CB-CD2 4.26Å; C365-Y367 PolarHBondContact O-N 3.39Å; C365-Y367 VanDerWaalsContact SG-CD2 3.56Å; C365-L427 WeakPolarHBondContact SG-CB 3.39Å; C365-A457 HydrophobicContact CB-CB 3.9Å
366R84Confident94.8Very high173 Ų17344.8 Ų44.865%0.65321%0.209SC*.  trans5326.4176-56.4-175.1-175.7170.44.7114.6N363 E401N363-R366 PolarHBondContact OD1-N 2.75Å; R366-E401 IonicContact CZ-OE1 2.79Å; R366-E401 IonicContact CZ-OE2 2.75Å; R366-E401 IonicContact NE-OE1 3.67Å; R366-E401 PolarHBondContact NE-OE1 2.86Å; R366-E401 IonicContact NE-OE2 3.17Å; R366-E401 IonicContact NH2-OE1 3.56Å; R366-E401 PolarHBondContact NH2-OE1 3.32Å; R366-E401 IonicContact NH2-OE2 3.17Å; R366-E401 PolarHBondContact NH2-OE2 3.38Å
367Y90.9Very high94.8Very high43 Ų4351.5 Ų51.517%0.16923%0.234CC..  trans-59.4138.6169.5-90-71.4000109.9N363 C365 Q371 A457 V460 K461N363-Y367 PolarHBondContact ND2-N 3.32Å; N363-Y367 PolarHBondContact ND2-O 2.75Å; C365-Y367 HydrophobicContact CB-CD2 4.26Å; C365-Y367 PolarHBondContact O-N 3.39Å; C365-Y367 VanDerWaalsContact SG-CD2 3.56Å; Y367-Q371 VanDerWaalsContact CD1-OE1 3.3Å; Y367-A457 HydrophobicContact CE2-CB 3.96Å; Y367-A457 PolarHBondContact OH-O 3.19Å; Y367-V460 HydrophobicContact CD2-CB 4.31Å; Y367-V460 HydrophobicContact CD2-CG1 4.04Å; Y367-V460 HydrophobicContact CE2-CB 3.9Å; Y367-V460 HydrophobicContact CE2-CG1 4.01Å; Y367-V460 HydrophobicContact CG-CG1 4.45Å; Y367-K461 WeakPolarHBondContact OH-CB 3.21Å
368P94.1Very high94.9Very high64 Ų6450 Ų5042%0.41622%0.221SC..  trans-55.7140172.8-27.336.9000111.5N370 Q371 V372P368-N370 VanDerWaalsContact C-N 3.28Å; P368-N370 WeakPolarHBondContact CB-OD1 3.33Å; P368-N370 PolarHBondContact O-N 2.81Å; P368-Q371 HydrophobicContact CB-CG 4.43Å; P368-Q371 WeakPolarHBondContact O-CB 3.45Å; P368-Q371 PolarHBondContact O-N 3.38Å; P368-V372 PolarHBondContact O-N 3.12Å; P368-V372 VanDerWaalsContact O-N 3.14Å
369K93.7Very high94.9Very high105 Ų10545 Ų4546%0.45720%0.203SC..Hα-helixtrans-55-42.2-174-173.7-179.5-180-165.70112.6Q371 V372 E373 Y397K369-Q371 VanDerWaalsContact C-N 3.32Å; K369-Q371 PolarHBondContact O-N 3.11Å; K369-V372 WeakPolarHBondContact O-CB 3.41Å; K369-V372 PolarHBondContact O-N 3.17Å; K369-V372 VanDerWaalsContact O-N 3.08Å; K369-E373 WeakPolarHBondContact CE-OE1 3.24Å; K369-E373 HydrophobicContact CG-CG 4.39Å; K369-E373 IonicContact NZ-OE1 2.86Å; K369-E373 WeakPolarHBondContact O-CG 3.42Å; K369-E373 PolarHBondContact O-N 3.23Å; K369-Y397 HydrophobicContact CB-CE1 4.32Å; K369-Y397 HydrophobicContact CD-CD1 4.22Å; K369-Y397 HydrophobicContact CD-CE1 4.17Å; K369-Y397 HydrophobicContact CG-CD1 4.32Å; K369-Y397 HydrophobicContact CG-CE1 3.99Å; K369-Y397 HydrophobicContact CG-CE2 4.32Å
370N95.2Very high94.8Very high105 Ų10545.3 Ų45.356%0.56121%0.205SC*.Hα-helixtrans-60-37.8177.664.8-35.1000113.2P368 E374P368-N370 VanDerWaalsContact C-N 3.28Å; P368-N370 WeakPolarHBondContact CB-OD1 3.33Å; P368-N370 PolarHBondContact O-N 2.81Å; N370-E374 PolarHBondContact O-N 2.95Å
371Q95.6Very high94.7Very high76 Ų7648.5 Ų48.536%0.35522%0.222SC..Hα-helixtrans-69.6-38.3174.9-67.9-172.4800111.2Y367 P368 K369 E374 F375 L464Y367-Q371 VanDerWaalsContact CD1-OE1 3.3Å; P368-Q371 HydrophobicContact CB-CG 4.43Å; P368-Q371 WeakPolarHBondContact O-CB 3.45Å; P368-Q371 PolarHBondContact O-N 3.38Å; K369-Q371 VanDerWaalsContact C-N 3.32Å; K369-Q371 PolarHBondContact O-N 3.11Å; Q371-E374 PolarHBondContact O-N 3.46Å; Q371-F375 PolarHBondContact O-N 3.42Å; Q371-L464 HydrophobicContact CB-CD1 3.91Å; Q371-L464 WeakPolarHBondContact O-CD2 3.48Å
372V95.7Very high94.6Very high0 Ų049.5 Ų49.50%023%0.226CC..Hα-helixtrans-63.5-46.3175.3179.40000110.5V361 P368 K369 E374 F375 M376 Y397 L427V361-V372 HydrophobicContact CG1-CG1 3.84Å; P368-V372 PolarHBondContact O-N 3.12Å; P368-V372 VanDerWaalsContact O-N 3.14Å; K369-V372 WeakPolarHBondContact O-CB 3.41Å; K369-V372 PolarHBondContact O-N 3.17Å; K369-V372 VanDerWaalsContact O-N 3.08Å; V372-E374 PolarHBondContact O-N 2.84Å; V372-F375 WeakPolarHBondContact O-CB 3.5Å; V372-F375 PolarHBondContact O-N 3.35Å; V372-M376 HydrophobicContact CG1-CE 3.67Å; V372-M376 HydrophobicContact CG1-CG 4.29Å; V372-M376 VanDerWaalsContact O-CG 3.29Å; V372-M376 WeakPolarHBondContact O-CG 3.5Å; V372-M376 PolarHBondContact O-N 2.85Å; V372-Y397 HydrophobicContact CB-CE2 4.13Å; V372-Y397 HydrophobicContact CG1-CD2 4.45Å; V372-Y397 HydrophobicContact CG1-CE2 3.9Å; V372-Y397 HydrophobicContact CG2-CE2 4.33Å; V372-L427 HydrophobicContact CB-CD1 4.48Å; V372-L427 HydrophobicContact CG1-CD1 3.82Å; V372-L427 HydrophobicContact CG2-CD1 3.86Å
373E95.6Very high94.6Very high82 Ų8249.5 Ų49.538%0.38323%0.226SC..Hα-helixtrans-59.3-43.1177-73.6171.5164.600112.1K369 F375 M376 R377 F394K369-E373 WeakPolarHBondContact CE-OE1 3.24Å; K369-E373 HydrophobicContact CG-CG 4.39Å; K369-E373 IonicContact NZ-OE1 2.86Å; K369-E373 WeakPolarHBondContact O-CG 3.42Å; K369-E373 PolarHBondContact O-N 3.23Å; E373-F375 PolarHBondContact O-N 2.99Å; E373-M376 PolarHBondContact O-N 3.44Å; E373-R377 WeakPolarHBondContact O-CB 2.98Å; E373-R377 PolarHBondContact O-N 3.18Å; E373-F394 HydrophobicContact CG-CE1 4.2Å; E373-F394 HydrophobicContact CG-CZ 4.13Å
374E95.4Very high94.6Very high54 Ų5455.3 Ų55.325%0.25225%0.248SC..Hα-helixtrans-62.5-42.4174.8172.757.2-169.500112.1N370 Q371 V372 M376 R377 R378 L464N370-E374 PolarHBondContact O-N 2.95Å; Q371-E374 PolarHBondContact O-N 3.46Å; V372-E374 PolarHBondContact O-N 2.84Å; E374-M376 VanDerWaalsContact C-N 3.33Å; E374-M376 PolarHBondContact O-N 3.15Å; E374-R377 VanDerWaalsContact CD-NH2 3.28Å; E374-R377 PolarHBondContact O-N 3.4Å; E374-R377 IonicContact OE1-CZ 3.57Å; E374-R377 IonicContact OE1-NE 3.07Å; E374-R377 IonicContact OE1-NH2 3.94Å; E374-R377 PolarHBondContact OE1-NH2 2.86Å; E374-R377 IonicContact OE2-CZ 3.63Å; E374-R377 VanDerWaalsContact OE2-CZ 3.32Å; E374-R377 IonicContact OE2-NE 2.84Å; E374-R377 PolarHBondContact OE2-NE 3.39Å; E374-R377 IonicContact OE2-NH2 2.89Å; E374-R377 PolarHBondContact OE2-NH2 2.92Å; E374-R378 WeakPolarHBondContact O-CG 2.88Å; E374-R378 PolarHBondContact O-N 3.16Å; E374-R378 IonicContact OE1-CZ 3.57Å; E374-R378 VanDerWaalsContact OE1-CZ 3.25Å; E374-R378 IonicContact OE1-NE 3.65Å; E374-R378 PolarHBondContact OE1-NE 2.81Å; E374-R378 IonicContact OE1-NH2 3.22Å; E374-R378 PolarHBondContact OE1-NH2 2.85Å; E374-L464 HydrophobicContact CB-CD2 4.22Å; E374-L464 HydrophobicContact CG-CD2 3.96Å
375F96.1Very high94.6Very high0 Ų058.8 Ų58.80%027%0.267CS..Hα-helixtrans-60.8-44.4174.1-178.5-82.8000111.2Q371 V372 E373 R378 L379 L455 V460 L464 L472 F473Q371-F375 PolarHBondContact O-N 3.42Å; V372-F375 WeakPolarHBondContact O-CB 3.5Å; V372-F375 PolarHBondContact O-N 3.35Å; E373-F375 PolarHBondContact O-N 2.99Å; F375-R378 PolarHBondContact O-N 3.06Å; F375-L379 HydrophobicContact CE1-CD2 4.48Å; F375-L379 PolarHBondContact O-N 3.33Å; F375-L455 HydrophobicContact CE1-CD1 3.69Å; F375-L455 HydrophobicContact CZ-CD1 3.74Å; F375-V460 HydrophobicContact CB-CG1 4.48Å; F375-V460 HydrophobicContact CD2-CB 4.46Å; F375-V460 HydrophobicContact CD2-CG1 4Å; F375-V460 HydrophobicContact CG-CG1 4.24Å; F375-L464 HydrophobicContact CB-CD2 3.95Å; F375-L464 HydrophobicContact CB-CG 4.36Å; F375-L464 HydrophobicContact CD2-CG 4.45Å; F375-L472 HydrophobicContact CE2-CD2 4.27Å; F375-L472 HydrophobicContact CZ-CD2 4.29Å; F375-F473 HydrophobicContact CD1-CE1 4.4Å; F375-F473 HydrophobicContact CD2-CE1 4.02Å; F375-F473 HydrophobicContact CD2-CZ 4.17Å; F375-F473 HydrophobicContact CE1-CE1 4.11Å; F375-F473 AromaticContact CE2-CE1 3.7Å; F375-F473 HydrophobicContact CE2-CE1 3.7Å; F375-F473 HydrophobicContact CE2-CZ 4.12Å; F375-F473 HydrophobicContact CG-CE1 4.36Å; F375-F473 HydrophobicContact CZ-CD1 4.44Å; F375-F473 AromaticContact CZ-CE1 3.75Å; F375-F473 HydrophobicContact CZ-CE1 3.75Å
376M96.2Very high94.9Very high7 Ų757.7 Ų57.73%0.03426%0.259CS..Hα-helixtrans-64.3-43.2179.4-66.9-41.3137.700112W359 V361 V372 E373 E374 R378 L379 V380 F394 L425 L427W359-M376 HydrophobicContact CH2-CB 4.12Å; W359-M376 HydrophobicContact CH2-CG 3.96Å; W359-M376 HydrophobicContact CH2-SD 3.98Å; W359-M376 HydrophobicContact CZ3-CG 4.44Å; W359-M376 HydrophobicContact CZ3-SD 4.04Å; V361-M376 HydrophobicContact CG1-CE 4.22Å; V361-M376 HydrophobicContact CG2-CE 4.3Å; V361-M376 HydrophobicContact CG2-CG 4.11Å; V361-M376 HydrophobicContact CG2-SD 4.13Å; V372-M376 HydrophobicContact CG1-CE 3.67Å; V372-M376 HydrophobicContact CG1-CG 4.29Å; V372-M376 VanDerWaalsContact O-CG 3.29Å; V372-M376 WeakPolarHBondContact O-CG 3.5Å; V372-M376 PolarHBondContact O-N 2.85Å; E373-M376 PolarHBondContact O-N 3.44Å; E374-M376 VanDerWaalsContact C-N 3.33Å; E374-M376 PolarHBondContact O-N 3.15Å; M376-R378 VanDerWaalsContact C-N 3.28Å; M376-R378 PolarHBondContact O-N 3.43Å; M376-L379 PolarHBondContact O-N 3.15Å; M376-L379 VanDerWaalsContact O-N 3.11Å; M376-L379 HydrophobicContact SD-CD2 4.45Å; M376-V380 WeakPolarHBondContact O-CG2 3.19Å; M376-V380 PolarHBondContact O-N 3.48Å; M376-F394 HydrophobicContact CG-CD1 4.49Å; M376-L425 HydrophobicContact CE-CD2 3.42Å; M376-L425 VanDerWaalsContact CE-CD2 3.42Å; M376-L425 HydrophobicContact SD-CD2 3.31Å; M376-L425 WeakPolarHBondContact SD-CD2 3.27Å; M376-L427 HydrophobicContact CE-CD1 4.24Å; M376-L427 HydrophobicContact CE-CD2 4.12Å
377R96.3Very high95.4Very high141 Ų14150.7 Ų50.753%0.53224%0.241SC..Hα-helixtrans-56-44.5176.4-172.6-167.664.776.11111.3E373 E374 N381E373-R377 WeakPolarHBondContact O-CB 2.98Å; E373-R377 PolarHBondContact O-N 3.18Å; E374-R377 VanDerWaalsContact CD-NH2 3.28Å; E374-R377 PolarHBondContact O-N 3.4Å; E374-R377 IonicContact OE1-CZ 3.57Å; E374-R377 IonicContact OE1-NE 3.07Å; E374-R377 IonicContact OE1-NH2 3.94Å; E374-R377 PolarHBondContact OE1-NH2 2.86Å; E374-R377 IonicContact OE2-CZ 3.63Å; E374-R377 VanDerWaalsContact OE2-CZ 3.32Å; E374-R377 IonicContact OE2-NE 2.84Å; E374-R377 PolarHBondContact OE2-NE 3.39Å; E374-R377 IonicContact OE2-NH2 2.89Å; E374-R377 PolarHBondContact OE2-NH2 2.92Å; R377-N381 WeakPolarHBondContact O-CB 3.19Å; R377-N381 PolarHBondContact O-N 2.87Å
378R96.2Very high95.7Very high60 Ų6048.9 Ų48.923%0.22623%0.234CC..Hα-helixtrans-65.1-41.9176.1-66.6178.1-173.3-161.6-1.7112.3E374 F375 M376 N381 K382 G463 L464 G465 F473E374-R378 WeakPolarHBondContact O-CG 2.88Å; E374-R378 PolarHBondContact O-N 3.16Å; E374-R378 IonicContact OE1-CZ 3.57Å; E374-R378 VanDerWaalsContact OE1-CZ 3.25Å; E374-R378 IonicContact OE1-NE 3.65Å; E374-R378 PolarHBondContact OE1-NE 2.81Å; E374-R378 IonicContact OE1-NH2 3.22Å; E374-R378 PolarHBondContact OE1-NH2 2.85Å; F375-R378 PolarHBondContact O-N 3.06Å; M376-R378 VanDerWaalsContact C-N 3.28Å; M376-R378 PolarHBondContact O-N 3.43Å; R378-N381 PolarHBondContact O-N 3.26Å; R378-K382 PolarHBondContact O-N 3.23Å; R378-G463 PolarHBondContact NH1-O 3.11Å; R378-L464 PolarHBondContact NH1-O 2.9Å; R378-G465 PolarHBondContact NH1-O 3.25Å; R378-F473 HydrophobicContact CB-CD2 4.34Å; R378-F473 HydrophobicContact CB-CE1 4Å; R378-F473 HydrophobicContact CB-CE2 3.6Å; R378-F473 HydrophobicContact CB-CZ 3.41Å; R378-F473 VanDerWaalsContact CB-CZ 3.41Å; R378-F473 HydrophobicContact CG-CE2 4.37Å; R378-F473 HydrophobicContact CG-CZ 4.29Å
379L96.4Very high95.8Very high1 Ų152.5 Ų52.51%0.00524%0.244CC..Hα-helixtrans-63.7-48.4178.1-177.569.4000111.9F375 M376 N381 K382 A383 L425 F473 V476 M477F375-L379 HydrophobicContact CE1-CD2 4.48Å; F375-L379 PolarHBondContact O-N 3.33Å; M376-L379 PolarHBondContact O-N 3.15Å; M376-L379 VanDerWaalsContact O-N 3.11Å; M376-L379 HydrophobicContact SD-CD2 4.45Å; L379-N381 VanDerWaalsContact C-N 3.3Å; L379-N381 PolarHBondContact O-N 2.83Å; L379-K382 WeakPolarHBondContact O-CA 3.36Å; L379-K382 WeakPolarHBondContact O-CB 3.38Å; L379-K382 PolarHBondContact O-N 3.34Å; L379-K382 VanDerWaalsContact O-N 3.09Å; L379-A383 PolarHBondContact O-N 3.06Å; L379-L425 HydrophobicContact CD2-CD2 3.98Å; L379-F473 HydrophobicContact CB-CD1 3.95Å; L379-F473 HydrophobicContact CB-CE1 4.1Å; L379-F473 HydrophobicContact CD1-CD1 3.77Å; L379-F473 HydrophobicContact CG-CD1 4.5Å; L379-V476 HydrophobicContact CD1-CB 3.98Å; L379-V476 HydrophobicContact CD1-CG1 3.64Å; L379-V476 HydrophobicContact CD2-CG1 4.35Å; L379-M477 HydrophobicContact CD1-CG 3.71Å; L379-M477 HydrophobicContact CD1-SD 3.62Å; L379-M477 HydrophobicContact CD2-SD 4.5Å; L379-M477 HydrophobicContact CG-CG 4.44Å; L379-M477 HydrophobicContact CG-SD 3.85Å
380V97Very high95.9Very high7 Ų748.6 Ų48.64%0.04223%0.227CC..Hα-helixtrans-60.5-41.2176.3168.30000110.8W359 M376 K382 A383 R384 M390W359-V380 HydrophobicContact CZ2-CG2 4.04Å; M376-V380 WeakPolarHBondContact O-CG2 3.19Å; M376-V380 PolarHBondContact O-N 3.48Å; V380-K382 VanDerWaalsContact C-N 3.28Å; V380-K382 PolarHBondContact O-N 3.21Å; V380-A383 VanDerWaalsContact O-CB 3.31Å; V380-A383 WeakPolarHBondContact O-CB 3.24Å; V380-A383 PolarHBondContact O-N 3.35Å; V380-A383 VanDerWaalsContact O-N 3.13Å; V380-R384 PolarHBondContact O-N 3.11Å; V380-M390 HydrophobicContact CG2-CE 4.39Å; V380-M390 HydrophobicContact CG2-SD 4.37Å
381N96Very high96Very high67 Ų6745 Ų4536%0.35821%0.211SC..Hα-helixtrans-60.3-41175.1-167.763.4000111.6R377 R378 L379 R384 N385R377-N381 WeakPolarHBondContact O-CB 3.19Å; R377-N381 PolarHBondContact O-N 2.87Å; R378-N381 PolarHBondContact O-N 3.26Å; L379-N381 VanDerWaalsContact C-N 3.3Å; L379-N381 PolarHBondContact O-N 2.83Å; N381-R384 PolarHBondContact O-N 3.11Å; N381-R384 PolarHBondContact OD1-NH1 3.46Å; N381-N385 VanDerWaalsContact O-CG 3.28Å; N381-N385 PolarHBondContact O-N 2.71Å; N381-N385 PolarHBondContact O-OD1 2.8Å
382K96Very high96Very high20 Ų2046.6 Ų46.69%0.08722%0.221CC..Hα-helixtrans-64.8-39.8173.7-171.860.7167.6-172.60112.1R378 L379 V380 R384 N385 M386 D470 F473 M477R378-K382 PolarHBondContact O-N 3.23Å; L379-K382 WeakPolarHBondContact O-CA 3.36Å; L379-K382 WeakPolarHBondContact O-CB 3.38Å; L379-K382 PolarHBondContact O-N 3.34Å; L379-K382 VanDerWaalsContact O-N 3.09Å; V380-K382 VanDerWaalsContact C-N 3.28Å; V380-K382 PolarHBondContact O-N 3.21Å; K382-R384 PolarHBondContact O-N 2.82Å; K382-N385 PolarHBondContact O-N 3.25Å; K382-M386 HydrophobicContact CD-CG 4.44Å; K382-M386 HydrophobicContact CD-SD 4.4Å; K382-M386 HydrophobicContact CG-CG 4.49Å; K382-M386 HydrophobicContact CG-SD 4Å; K382-M386 WeakPolarHBondContact O-CG 3.42Å; K382-M386 PolarHBondContact O-N 3.48Å; K382-D470 WeakPolarHBondContact CE-OD1 3.49Å; K382-D470 IonicContact NZ-OD1 2.7Å; K382-D470 PolarHBondContact NZ-OD1 3.04Å; K382-D470 IonicContact NZ-OD2 3.81Å; K382-D470 PolarHBondContact NZ-OD2 3.06Å; K382-F473 HydrophobicContact CB-CB 3.79Å; K382-F473 HydrophobicContact CG-CB 3.75Å; K382-M477 HydrophobicContact CB-CG 4.41Å; K382-M477 HydrophobicContact CG-CG 4.32Å
383A96.8Very high95.8Very high1 Ų151.4 Ų51.41%0.00825%0.251CS..Hα-helixtrans-56-49.8174.700000111.4L379 V380 N385 M386 G387 V388 M390 M477L379-A383 PolarHBondContact O-N 3.06Å; V380-A383 VanDerWaalsContact O-CB 3.31Å; V380-A383 WeakPolarHBondContact O-CB 3.24Å; V380-A383 PolarHBondContact O-N 3.35Å; V380-A383 VanDerWaalsContact O-N 3.13Å; A383-N385 PolarHBondContact O-N 3.15Å; A383-M386 CarbonylContact O-C 3.43Å; A383-M386 PolarHBondContact O-N 3.42Å; A383-M386 VanDerWaalsContact O-N 3.11Å; A383-G387 PolarHBondContact O-N 3.13Å; A383-V388 HydrophobicContact CB-CB 4.17Å; A383-V388 PolarHBondContact O-N 3.09Å; A383-M390 HydrophobicContact CB-CB 4.09Å; A383-M390 HydrophobicContact CB-SD 4.21Å; A383-M477 HydrophobicContact CB-CE 3.45Å; A383-M477 VanDerWaalsContact CB-CE 3.45Å; A383-M477 HydrophobicContact CB-CG 4.34Å; A383-M477 HydrophobicContact CB-SD 3.88Å
384R95.6Very high95.7Very high122 Ų12249.6 Ų49.646%0.4624%0.242SC..Hα-helixtrans-58.7-44.2176.2-168.5-174.9-55.6117.11.2112.3K349 V380 N381 K382 M386 G387 N392K349-R384 PolarHBondContact NZ-O 3.3Å; V380-R384 PolarHBondContact O-N 3.11Å; N381-R384 PolarHBondContact O-N 3.11Å; N381-R384 PolarHBondContact OD1-NH1 3.46Å; K382-R384 PolarHBondContact O-N 2.82Å; R384-M386 VanDerWaalsContact C-N 3.27Å; R384-M386 PolarHBondContact O-N 3.41Å; R384-G387 PolarHBondContact O-N 2.89Å; R384-N392 PolarHBondContact NH2-OD1 3.37Å
385N94.1Very high95.7Very high79 Ų7949 Ų4942%0.42225%0.247SC..Hα-helixtrans-62.9-35.1177.3-70-2.6000112K349 N381 K382 A383 G387K349-N385 WeakPolarHBondContact CD-O 3.36Å; K349-N385 PolarHBondContact NZ-O 3.03Å; N381-N385 VanDerWaalsContact O-CG 3.28Å; N381-N385 PolarHBondContact O-N 2.71Å; N381-N385 PolarHBondContact O-OD1 2.8Å; K382-N385 PolarHBondContact O-N 3.25Å; A383-N385 PolarHBondContact O-N 3.15Å; N385-G387 VanDerWaalsContact C-N 3.31Å
386M95.5Very high95.7Very high4 Ų450.6 Ų50.62%0.0226%0.255CS..THydrogen-bonded Turntrans-81.4-4.7174.9-68.3175.261.300114M345 K349 V350 K382 A383 R384 V388 L474 M477 L478M345-M386 HydrophobicContact CE-CB 4.32Å; M345-M386 HydrophobicContact CE-CE 3.99Å; M345-M386 HydrophobicContact CE-CG 4.09Å; M345-M386 HydrophobicContact SD-CE 4Å; K349-M386 CarbonylContact C-O 3.52Å; K349-M386 VanDerWaalsContact CA-O 3.29Å; K349-M386 WeakPolarHBondContact CA-O 3.24Å; V350-M386 HydrophobicContact CG1-CB 4.41Å; V350-M386 HydrophobicContact CG1-CE 3.95Å; V350-M386 PolarHBondContact N-O 2.96Å; K382-M386 HydrophobicContact CD-CG 4.44Å; K382-M386 HydrophobicContact CD-SD 4.4Å; K382-M386 HydrophobicContact CG-CG 4.49Å; K382-M386 HydrophobicContact CG-SD 4Å; K382-M386 WeakPolarHBondContact O-CG 3.42Å; K382-M386 PolarHBondContact O-N 3.48Å; A383-M386 CarbonylContact O-C 3.43Å; A383-M386 PolarHBondContact O-N 3.42Å; A383-M386 VanDerWaalsContact O-N 3.11Å; R384-M386 VanDerWaalsContact C-N 3.27Å; R384-M386 PolarHBondContact O-N 3.41Å; M386-V388 VanDerWaalsContact C-N 3.31Å; M386-V388 HydrophobicContact CB-CG2 4.17Å; M386-L474 HydrophobicContact CE-CD1 3.78Å; M386-L474 HydrophobicContact SD-CD1 3.68Å; M386-M477 HydrophobicContact CE-CB 3.95Å; M386-M477 HydrophobicContact SD-CB 3.47Å; M386-M477 WeakPolarHBondContact SD-CB 3.46Å; M386-M477 HydrophobicContact SD-CG 4.32Å; M386-L478 HydrophobicContact CE-CD2 3.77Å; M386-L478 HydrophobicContact CE-CG 4.07Å
387G95.3Very high95.6Very high26 Ų2652.1 Ų52.127%0.26826%0.26SS..THydrogen-bonded Turntrans78.512.8-177.500000114.7S353 A383 R384 N385 K389S353-G387 VanDerWaalsContact CB-O 3.31Å; S353-G387 WeakPolarHBondContact CB-O 3.4Å; S353-G387 PolarHBondContact OG-O 3.27Å; S353-G387 VanDerWaalsContact OG-O 3.05Å; A383-G387 PolarHBondContact O-N 3.13Å; R384-G387 PolarHBondContact O-N 2.89Å; N385-G387 VanDerWaalsContact C-N 3.31Å; G387-K389 PolarHBondContact O-N 3.39Å
388V97Very high95.5Very high5 Ų546.2 Ų46.23%0.0324%0.242CC..  trans-78.8119.6175.6-1770000108.8V350 S353 A383 M386 M390 M477 N481V350-V388 HydrophobicContact CG1-CG2 4.28Å; V350-V388 HydrophobicContact CG2-CG2 3.95Å; S353-V388 WeakPolarHBondContact OG-CA 3.49Å; A383-V388 HydrophobicContact CB-CB 4.17Å; A383-V388 PolarHBondContact O-N 3.09Å; M386-V388 VanDerWaalsContact C-N 3.31Å; M386-V388 HydrophobicContact CB-CG2 4.17Å; V388-M390 PolarHBondContact O-N 3.4Å; V388-M390 VanDerWaalsContact O-N 3.11Å; V388-M477 HydrophobicContact CB-CE 4.04Å; V388-M477 HydrophobicContact CG1-CE 3.83Å; V388-M477 HydrophobicContact CG2-CE 4.19Å; V388-N481 HydrophobicContact CG2-CB 3.94Å
389K96.3Very high95.3Very high141 Ų14148.1 Ų48.161%0.61326%0.257SS*.EExtended strand (participates in β ladder)trans-70.1103.8175.4-62.5178-177-179.70109.1S353 A354 V356 G387S353-K389 PolarHBondContact OG-N 3.2Å; A354-K389 PolarHBondContact O-N 2.83Å; V356-K389 PolarHBondContact N-O 3.04Å; G387-K389 PolarHBondContact O-N 3.39Å
390M96.7Very high95.1Very high22 Ų2249.7 Ų49.711%0.10827%0.265CS..EExtended strand (participates in β ladder)trans-135.6132.6179.1-175.1169.1-176.700109.6V356 W359 V380 A383 V388 F423 M477V356-M390 HydrophobicContact CB-CB 4.27Å; V356-M390 HydrophobicContact CB-CG 4.06Å; V356-M390 HydrophobicContact CG1-CE 4.37Å; V356-M390 HydrophobicContact CG1-CG 4.17Å; V356-M390 VanDerWaalsContact O-CA 3.31Å; V356-M390 WeakPolarHBondContact O-CA 3.22Å; W359-M390 HydrophobicContact CD2-CE 3.54Å; W359-M390 HydrophobicContact CE3-CE 3.83Å; W359-M390 HydrophobicContact CG-CE 4.11Å; W359-M390 HydrophobicContact CH2-CE 3.86Å; W359-M390 HydrophobicContact CZ2-CE 3.59Å; W359-M390 HydrophobicContact CZ3-CE 3.96Å; V380-M390 HydrophobicContact CG2-CE 4.39Å; V380-M390 HydrophobicContact CG2-SD 4.37Å; A383-M390 HydrophobicContact CB-CB 4.09Å; A383-M390 HydrophobicContact CB-SD 4.21Å; V388-M390 PolarHBondContact O-N 3.4Å; V388-M390 VanDerWaalsContact O-N 3.11Å; M390-F423 HydrophobicContact CE-CE1 4.45Å; M390-M477 HydrophobicContact SD-CE 4.36Å; M390-M477 HydrophobicContact SD-SD 4.44Å
391S96.6Very high94.5Very high31 Ų3154.2 Ų54.222%0.21729%0.286CS..  trans-61.5141.2177.5179.30000111.1V356 D357 W359 T393V356-S391 PolarHBondContact O-N 3.47Å; D357-S391 WeakPolarHBondContact O-CB 3.41Å; W359-S391 PolarHBondContact NE1-O 2.76Å; W359-S391 VanDerWaalsContact NE1-O 3.16Å; S391-T393 PolarHBondContact O-N 3.07Å; S391-T393 PolarHBondContact OG-O 3.27Å
392N94.3Very high93.2Very high108 Ų10854.5 Ų54.558%0.57829%0.291SS*.SBendtrans-67.7-23.7-178.3-70.3-29.6000113.2R384R384-N392 PolarHBondContact NH2-OD1 3.37Å
393T92.8Very high92Very high102 Ų10254.7 Ų54.763%0.62630%0.295SS*.SBendtrans-120.4146.7179.953.10000109.9W359 S391W359-T393 PolarHBondContact NE1-O 3.13Å; S391-T393 PolarHBondContact O-N 3.07Å; S391-T393 PolarHBondContact OG-O 3.27Å
394F94.2Very high91.4Very high44 Ų4458.5 Ų58.519%0.19332%0.315CS..  trans-82.9145.7168.449.1-100.5000109.5W359 V361 E373 M376 N396 Y397W359-F394 HydrophobicContact CD2-CB 4.01Å; W359-F394 HydrophobicContact CE3-CB 4.09Å; W359-F394 HydrophobicContact CH2-CB 4.06Å; W359-F394 HydrophobicContact CH2-CD1 4.1Å; W359-F394 HydrophobicContact CZ2-CB 3.96Å; W359-F394 HydrophobicContact CZ2-CD1 4.4Å; W359-F394 HydrophobicContact CZ3-CB 4.13Å; W359-F394 CarbonylContact O-C 3.49Å; W359-F394 WeakPolarHBondContact O-CA 3.43Å; W359-F394 WeakPolarHBondContact O-CB 3.35Å; V361-F394 HydrophobicContact CG2-CB 4.31Å; V361-F394 HydrophobicContact CG2-CD1 3.96Å; V361-F394 HydrophobicContact CG2-CG 4.14Å; E373-F394 HydrophobicContact CG-CE1 4.2Å; E373-F394 HydrophobicContact CG-CZ 4.13Å; M376-F394 HydrophobicContact CG-CD1 4.49Å; F394-N396 WeakPolarHBondContact CD2-O 3.13Å; F394-Y397 VanDerWaalsContact CE2-CB 3.45Å; F394-Y397 HydrophobicContact CE2-CG 4.38Å; F394-Y397 HydrophobicContact CZ-CD2 4.49Å
395A94.5Very high91.1Very high42 Ų4253.4 Ų53.435%0.34730%0.298SS..SBendtrans-72-30.5177.400000112.4W359 V421W359-A395 PolarHBondContact O-N 3.11Å; A395-V421 HydrophobicContact CB-CG2 4.14Å
396N95.6Very high90.9Very high33 Ų3354.8 Ų54.818%0.17630%0.301CS..EExtended strand (participates in β ladder)trans-146.7149.8-177.8-166.4-67.9000111.7A360 V361 F394 Y411 L415 D419A360-N396 WeakPolarHBondContact CA-O 3.26Å; A360-N396 HydrophobicContact CB-CB 3.96Å; A360-N396 WeakPolarHBondContact CB-O 3.43Å; V361-N396 PolarHBondContact N-O 2.79Å; F394-N396 WeakPolarHBondContact CD2-O 3.13Å; N396-Y411 PolarHBondContact OD1-OH 2.83Å; N396-L415 HydrophobicContact CB-CD2 3.47Å; N396-L415 VanDerWaalsContact CB-CD2 3.47Å; N396-D419 PolarHBondContact ND2-OD2 3.17Å
397Y95Very high90.7Very high38 Ų3857.2 Ų57.215%0.14932%0.319CS..EExtended strand (participates in β ladder)trans-138.9132171.8170.4-83.7000109.9V361 N363 K369 V372 F394 N399V361-Y397 HydrophobicContact CB-CD2 4.04Å; V361-Y397 HydrophobicContact CG1-CD2 4.05Å; V361-Y397 HydrophobicContact CG1-CE2 4.3Å; V361-Y397 WeakPolarHBondContact O-CA 3.15Å; N363-Y397 HydrophobicContact CB-CE2 4.22Å; N363-Y397 PolarHBondContact ND2-OH 3.47Å; K369-Y397 HydrophobicContact CB-CE1 4.32Å; K369-Y397 HydrophobicContact CD-CD1 4.22Å; K369-Y397 HydrophobicContact CD-CE1 4.17Å; K369-Y397 HydrophobicContact CG-CD1 4.32Å; K369-Y397 HydrophobicContact CG-CE1 3.99Å; K369-Y397 HydrophobicContact CG-CE2 4.32Å; V372-Y397 HydrophobicContact CB-CE2 4.13Å; V372-Y397 HydrophobicContact CG1-CD2 4.45Å; V372-Y397 HydrophobicContact CG1-CE2 3.9Å; V372-Y397 HydrophobicContact CG2-CE2 4.33Å; F394-Y397 VanDerWaalsContact CE2-CB 3.45Å; F394-Y397 HydrophobicContact CE2-CG 4.38Å; F394-Y397 HydrophobicContact CZ-CD2 4.49Å; Y397-N399 PolarHBondContact OH-OD1 3.38Å
398A94Very high90.6Very high18 Ų1856 Ų5615%0.14931%0.307CS..EExtended strand (participates in β ladder)trans-135140171.400000112.1V361 N363 L400 Y411V361-A398 PolarHBondContact O-N 2.78Å; V361-A398 VanDerWaalsContact O-N 3.15Å; N363-A398 PolarHBondContact N-O 2.84Å; A398-L400 HydrophobicContact CB-CD2 4.01Å; A398-L400 HydrophobicContact CB-CG 4.03Å; A398-Y411 HydrophobicContact CB-CE2 3.78Å; A398-Y411 WeakPolarHBondContact CB-OH 3.36Å
399N92.3Very high90.6Very high99 Ų9958.3 Ų58.353%0.52932%0.317SS..EExtended strand (participates in β ladder)trans-84.2125.6159.4-73.1-39.9000107.9N363 Y397N363-N399 PolarHBondContact ND2-OD1 3.16Å; Y397-N399 PolarHBondContact OH-OD1 3.38Å
400L90.9Very high90.5Very high35 Ų3557.3 Ų57.318%0.18331%0.312CS..  trans-128.1146.9-175.7-62173.3000109.8A362 N363 F364 A398 Y411A362-L400 HydrophobicContact CB-CD1 4.07Å; N363-L400 PolarHBondContact O-N 2.91Å; F364-L400 WeakPolarHBondContact CA-O 3.12Å; F364-L400 HydrophobicContact CD1-CB 3.67Å; F364-L400 HydrophobicContact CE1-CB 3.53Å; F364-L400 HydrophobicContact CE1-CD1 3.76Å; F364-L400 HydrophobicContact CE1-CG 4.32Å; F364-L400 HydrophobicContact CE2-CD1 4.31Å; F364-L400 HydrophobicContact CG-CB 4.42Å; F364-L400 HydrophobicContact CZ-CB 4.19Å; F364-L400 HydrophobicContact CZ-CD1 3.59Å; A398-L400 HydrophobicContact CB-CD2 4.01Å; A398-L400 HydrophobicContact CB-CG 4.03Å; L400-Y411 HydrophobicContact CD1-CD1 3.65Å; L400-Y411 HydrophobicContact CD1-CE1 3.62Å; L400-Y411 HydrophobicContact CD1-CG 4.33Å
401E84.8Confident90.5Very high102 Ų10257.9 Ų57.948%0.47731%0.314SS..  trans-85.3148.9165-67.6-59.9134.800109.6R366 S403R366-E401 IonicContact CZ-OE1 2.79Å; R366-E401 IonicContact CZ-OE2 2.75Å; R366-E401 IonicContact NE-OE1 3.67Å; R366-E401 PolarHBondContact NE-OE1 2.86Å; R366-E401 IonicContact NE-OE2 3.17Å; R366-E401 IonicContact NH2-OE1 3.56Å; R366-E401 PolarHBondContact NH2-OE1 3.32Å; R366-E401 IonicContact NH2-OE2 3.17Å; R366-E401 PolarHBondContact NH2-OE2 3.38Å; E401-S403 WeakPolarHBondContact O-CB 3.32Å; E401-S403 PolarHBondContact O-N 3.02Å
402P69Low90.5Very high72 Ų7256.4 Ų56.447%0.46830%0.303SS..SBendtrans-53.8106.5172.1-24.934.5000110.3L436P402-L436 HydrophobicContact CB-CD2 4.24Å; P402-L436 HydrophobicContact CG-CD2 4.47Å
403S71.5Confident90.6Very high24 Ų2453.6 Ų53.617%0.16829%0.287CS..  trans-110.6170-166.953.90000112.9E401 L408 R439E401-S403 WeakPolarHBondContact O-CB 3.32Å; E401-S403 PolarHBondContact O-N 3.02Å; S403-L408 WeakPolarHBondContact OG-CG 3.33Å; S403-R439 PolarHBondContact O-NH1 2.86Å
404D84Confident90.8Very high82 Ų8253 Ų5344%0.43928%0.277SS..  trans-69.6171.1169.458.739000111.9E406 S407 L408D404-E406 VanDerWaalsContact C-N 3.27Å; D404-E406 PolarHBondContact O-N 2.74Å; D404-E406 PolarHBondContact OD1-N 3.12Å; D404-S407 VanDerWaalsContact OD1-CB 3.29Å; D404-S407 WeakPolarHBondContact OD1-CB 3.48Å; D404-S407 PolarHBondContact OD1-N 2.77Å; D404-S407 PolarHBondContact OD1-OG 2.97Å; D404-L408 PolarHBondContact O-N 2.96Å
405V88.6Confident91Very high15 Ų1551 Ų519%0.09127%0.268CS..Hα-helixtrans-63.4-33.4-178.4168.40000112.1H409 R439 F442 V443 L447 T750V405-H409 VanDerWaalsContact O-CB 3.28Å; V405-H409 WeakPolarHBondContact O-CB 3.13Å; V405-H409 PolarHBondContact O-N 2.96Å; V405-R439 HydrophobicContact CG2-CB 4.13Å; V405-R439 HydrophobicContact CG2-CG 3.73Å; V405-F442 HydrophobicContact CG1-CD1 4.31Å; V405-F442 HydrophobicContact CG1-CE1 4.43Å; V405-V443 HydrophobicContact CB-CG2 4.47Å; V405-V443 HydrophobicContact CG1-CG2 3.8Å; V405-L447 HydrophobicContact CG1-CD1 4.35Å; V405-T750 HydrophobicContact CB-CG2 4.18Å; V405-T750 HydrophobicContact CG1-CG2 4.18Å; V405-T750 HydrophobicContact CG2-CG2 4.44Å; V405-T750 VanDerWaalsContact CG2-OG1 3.31Å; V405-T750 WeakPolarHBondContact CG2-OG1 3.06Å
406E90Very high91.1Very high107 Ų10751.4 Ų51.450%0.526%0.264SS..Hα-helixtrans-70.5-43.7-177.1-170.4179.2155.400111.9D404 H409 K410D404-E406 VanDerWaalsContact C-N 3.27Å; D404-E406 PolarHBondContact O-N 2.74Å; D404-E406 PolarHBondContact OD1-N 3.12Å; E406-H409 WeakPolarHBondContact O-CB 3.48Å; E406-H409 PolarHBondContact O-N 3.35Å; E406-K410 WeakPolarHBondContact O-CG 3.47Å; E406-K410 PolarHBondContact O-N 3.12Å; E406-K410 WeakPolarHBondContact OE1-CE 3.37Å; E406-K410 IonicContact OE1-NZ 2.81Å; E406-K410 PolarHBondContact OE1-NZ 2.75Å
407S91.4Very high91.2Very high56 Ų5658.3 Ų58.339%0.39229%0.287SS..Hα-helixtrans-66.3-42.1177.5-55.60000111.5D404 H409 K410 Y411D404-S407 VanDerWaalsContact OD1-CB 3.29Å; D404-S407 WeakPolarHBondContact OD1-CB 3.48Å; D404-S407 PolarHBondContact OD1-N 2.77Å; D404-S407 PolarHBondContact OD1-OG 2.97Å; S407-H409 VanDerWaalsContact C-N 3.32Å; S407-H409 PolarHBondContact O-N 3.29Å; S407-K410 PolarHBondContact O-N 3.46Å; S407-Y411 PolarHBondContact O-N 3.24Å; S407-Y411 VanDerWaalsContact O-N 3.09Å
408L94.1Very high91.3Very high1 Ų161.5 Ų61.51%0.00531%0.306CS..Hα-helixtrans-60.7-42.7172.8-77.1172.5000111.7F364 S403 D404 Y411 F412 L436 R439 I440 V443F364-L408 HydrophobicContact CE1-CD2 3.85Å; F364-L408 HydrophobicContact CZ-CD2 3.59Å; S403-L408 WeakPolarHBondContact OG-CG 3.33Å; D404-L408 PolarHBondContact O-N 2.96Å; L408-Y411 PolarHBondContact O-N 2.81Å; L408-F412 WeakPolarHBondContact O-CB 3.31Å; L408-F412 PolarHBondContact O-N 3.4Å; L408-L436 HydrophobicContact CD1-CD1 4.34Å; L408-R439 HydrophobicContact CD1-CB 3.76Å; L408-I440 HydrophobicContact CD1-CG1 4.29Å; L408-I440 HydrophobicContact CD2-CG1 4.47Å; L408-V443 HydrophobicContact CB-CG1 4.47Å; L408-V443 HydrophobicContact CB-CG2 4.05Å
409H95.1Very high91.4Very high52 Ų5262 Ų6224%0.24131%0.306CS..Hα-helixtrans-59.9-51.3177.4-177.2-76.3000111.4V405 E406 S407 Y411 F412 E413 V443V405-H409 VanDerWaalsContact O-CB 3.28Å; V405-H409 WeakPolarHBondContact O-CB 3.13Å; V405-H409 PolarHBondContact O-N 2.96Å; E406-H409 WeakPolarHBondContact O-CB 3.48Å; E406-H409 PolarHBondContact O-N 3.35Å; S407-H409 VanDerWaalsContact C-N 3.32Å; S407-H409 PolarHBondContact O-N 3.29Å; H409-Y411 VanDerWaalsContact C-N 3.29Å; H409-Y411 PolarHBondContact O-N 2.96Å; H409-F412 PolarHBondContact O-N 3Å; H409-E413 IonicContact CE1-OE2 2.71Å; H409-E413 IonicContact ND1-OE2 2.74Å; H409-E413 WeakPolarHBondContact O-CB 3.34Å; H409-E413 PolarHBondContact O-N 2.81Å; H409-V443 HydrophobicContact CB-CG1 4.11Å
410K95.2Very high91.6Very high121 Ų12163.7 Ų63.753%0.52631%0.31SS..Hα-helixtrans-56.3-44.1178.3-72.4173.4-174.5165.50111.8E406 S407 H414E406-K410 WeakPolarHBondContact O-CG 3.47Å; E406-K410 PolarHBondContact O-N 3.12Å; E406-K410 WeakPolarHBondContact OE1-CE 3.37Å; E406-K410 IonicContact OE1-NZ 2.81Å; E406-K410 PolarHBondContact OE1-NZ 2.75Å; S407-K410 PolarHBondContact O-N 3.46Å; K410-H414 WeakPolarHBondContact O-CB 3.49Å; K410-H414 PolarHBondContact O-N 2.91Å
411Y95.8Very high91.9Very high34 Ų3462.1 Ų62.113%0.13330%0.303CS..Hα-helixtrans-65.8-49178.4177.1-115.8000112.4A362 N396 A398 L400 S407 L408 H409 E413 H414 L415A362-Y411 HydrophobicContact CB-CE1 4.14Å; N396-Y411 PolarHBondContact OD1-OH 2.83Å; A398-Y411 HydrophobicContact CB-CE2 3.78Å; A398-Y411 WeakPolarHBondContact CB-OH 3.36Å; L400-Y411 HydrophobicContact CD1-CD1 3.65Å; L400-Y411 HydrophobicContact CD1-CE1 3.62Å; L400-Y411 HydrophobicContact CD1-CG 4.33Å; S407-Y411 PolarHBondContact O-N 3.24Å; S407-Y411 VanDerWaalsContact O-N 3.09Å; L408-Y411 PolarHBondContact O-N 2.81Å; H409-Y411 VanDerWaalsContact C-N 3.29Å; H409-Y411 PolarHBondContact O-N 2.96Å; Y411-E413 PolarHBondContact O-N 2.83Å; Y411-H414 WeakPolarHBondContact O-CB 3.45Å; Y411-H414 PolarHBondContact O-N 3.11Å; Y411-L415 HydrophobicContact CD1-CD1 4.24Å; Y411-L415 HydrophobicContact CE1-CD1 3.61Å; Y411-L415 HydrophobicContact CE1-CG 4.21Å; Y411-L415 HydrophobicContact CE2-CD1 4.37Å; Y411-L415 HydrophobicContact CE2-CD2 4.05Å; Y411-L415 HydrophobicContact CE2-CG 4.12Å; Y411-L415 WeakPolarHBondContact O-CG 3.13Å; Y411-L415 PolarHBondContact O-N 2.84Å
412F97.2Very high92.5Very high0 Ų061 Ų610%030%0.302CS..Hα-helixtrans-67.2-35.9179.8-76.15.4000112.4L408 H409 H414 L415 I416 V424 I440 V443 L448 L450 T452L408-F412 WeakPolarHBondContact O-CB 3.31Å; L408-F412 PolarHBondContact O-N 3.4Å; H409-F412 PolarHBondContact O-N 3Å; F412-H414 VanDerWaalsContact C-N 3.34Å; F412-L415 HydrophobicContact CD1-CD1 4.17Å; F412-L415 WeakPolarHBondContact O-CB 3.46Å; F412-L415 PolarHBondContact O-N 2.83Å; F412-I416 WeakPolarHBondContact O-CD1 3.38Å; F412-I416 VanDerWaalsContact O-CG1 3.25Å; F412-I416 WeakPolarHBondContact O-CG1 3.11Å; F412-I416 PolarHBondContact O-N 3.19Å; F412-V424 HydrophobicContact CE1-CG1 4.33Å; F412-I440 HydrophobicContact CE2-CG2 4.22Å; F412-I440 HydrophobicContact CZ-CG2 4.19Å; F412-V443 HydrophobicContact CB-CG1 4.29Å; F412-V443 HydrophobicContact CD2-CB 4.34Å; F412-V443 HydrophobicContact CD2-CG1 3.73Å; F412-V443 HydrophobicContact CE2-CG1 4.49Å; F412-V443 HydrophobicContact CG-CG1 4.33Å; F412-L448 HydrophobicContact CB-CD1 3.38Å; F412-L450 HydrophobicContact CB-CD2 3.84Å; F412-L450 HydrophobicContact CD1-CD2 4.28Å; F412-L450 HydrophobicContact CD2-CD2 3.72Å; F412-L450 HydrophobicContact CE2-CD2 4.34Å; F412-L450 HydrophobicContact CG-CD2 3.7Å; F412-T452 HydrophobicContact CE2-CG2 4.07Å; F412-T452 HydrophobicContact CZ-CG2 4.42Å
413E97.2Very high93.8Very high49 Ų4957.6 Ų57.623%0.22928%0.28CS..Hα-helixtrans-63.3-41174.2-175.7175.4-147.300111.3H409 Y411 I416 R417 L448H409-E413 IonicContact CE1-OE2 2.71Å; H409-E413 IonicContact ND1-OE2 2.74Å; H409-E413 WeakPolarHBondContact O-CB 3.34Å; H409-E413 PolarHBondContact O-N 2.81Å; Y411-E413 PolarHBondContact O-N 2.83Å; E413-I416 PolarHBondContact O-N 2.87Å; E413-R417 HydrophobicContact CG-CG 4.49Å; E413-R417 WeakPolarHBondContact O-CB 3.41Å; E413-R417 PolarHBondContact O-N 3.19Å; E413-R417 IonicContact OE1-CZ 2.77Å; E413-R417 IonicContact OE1-NE 2.82Å; E413-R417 IonicContact OE1-NH1 3.72Å; E413-R417 PolarHBondContact OE1-NH1 2.81Å; E413-R417 VanDerWaalsContact OE1-NH1 3.11Å; E413-R417 IonicContact OE1-NH2 3.3Å; E413-R417 PolarHBondContact OE1-NH2 2.96Å; E413-L448 HydrophobicContact CB-CD1 4.4Å; E413-L448 HydrophobicContact CB-CD2 4.32Å
414H97.2Very high95.1Very high90 Ų9056.4 Ų56.442%0.41727%0.272SS..Hα-helixtrans-59.7-48172.5178.387.9000111.7K410 Y411 F412 I416 R417 I418 D419K410-H414 WeakPolarHBondContact O-CB 3.49Å; K410-H414 PolarHBondContact O-N 2.91Å; Y411-H414 WeakPolarHBondContact O-CB 3.45Å; Y411-H414 PolarHBondContact O-N 3.11Å; F412-H414 VanDerWaalsContact C-N 3.34Å; H414-I416 VanDerWaalsContact C-N 3.27Å; H414-I416 PolarHBondContact O-N 3.02Å; H414-R417 PolarHBondContact O-N 3.44Å; H414-I418 WeakPolarHBondContact O-CB 3.4Å; H414-I418 PolarHBondContact O-N 3.29Å; H414-D419 IonicContact CD2-OD2 3.58Å
415L97.3Very high95.8Very high0 Ų052.5 Ų52.50%025%0.251CS..Hα-helixtrans-57.4-40177.2-69.1-176.8000112.3A360 N396 Y411 F412 D419 Q420 V421 V424A360-L415 HydrophobicContact CB-CD1 3.92Å; A360-L415 HydrophobicContact CB-CD2 4.1Å; N396-L415 HydrophobicContact CB-CD2 3.47Å; N396-L415 VanDerWaalsContact CB-CD2 3.47Å; Y411-L415 HydrophobicContact CD1-CD1 4.24Å; Y411-L415 HydrophobicContact CE1-CD1 3.61Å; Y411-L415 HydrophobicContact CE1-CG 4.21Å; Y411-L415 HydrophobicContact CE2-CD1 4.37Å; Y411-L415 HydrophobicContact CE2-CD2 4.05Å; Y411-L415 HydrophobicContact CE2-CG 4.12Å; Y411-L415 WeakPolarHBondContact O-CG 3.13Å; Y411-L415 PolarHBondContact O-N 2.84Å; F412-L415 HydrophobicContact CD1-CD1 4.17Å; F412-L415 WeakPolarHBondContact O-CB 3.46Å; F412-L415 PolarHBondContact O-N 2.83Å; L415-D419 WeakPolarHBondContact CD2-OD2 3.32Å; L415-D419 CarbonylContact O-C 3.34Å; L415-D419 VanDerWaalsContact O-C 3.3Å; L415-D419 WeakPolarHBondContact O-CA 3.21Å; L415-D419 WeakPolarHBondContact O-CB 3.24Å; L415-D419 PolarHBondContact O-N 3.41Å; L415-Q420 PolarHBondContact O-N 3.27Å; L415-V421 HydrophobicContact CB-CB 4.04Å; L415-V421 HydrophobicContact CB-CG1 4.48Å; L415-V421 HydrophobicContact CB-CG2 4.3Å; L415-V421 WeakPolarHBondContact O-CB 3.4Å; L415-V421 PolarHBondContact O-N 3.39Å; L415-V424 HydrophobicContact CD1-CG2 3.81Å
416I97.3Very high96.2Very high52 Ų5251.8 Ų51.827%0.26725%0.247SC..Hα-helixtrans-72.6-49.2-179.7-65.4161.8000110.8F412 E413 H414 Q420 L448 L450F412-I416 WeakPolarHBondContact O-CD1 3.38Å; F412-I416 VanDerWaalsContact O-CG1 3.25Å; F412-I416 WeakPolarHBondContact O-CG1 3.11Å; F412-I416 PolarHBondContact O-N 3.19Å; E413-I416 PolarHBondContact O-N 2.87Å; H414-I416 VanDerWaalsContact C-N 3.27Å; H414-I416 PolarHBondContact O-N 3.02Å; I416-Q420 VanDerWaalsContact O-CA 3.22Å; I416-Q420 WeakPolarHBondContact O-CA 3.39Å; I416-Q420 PolarHBondContact O-N 2.87Å; I416-L448 HydrophobicContact CD1-CB 3.65Å; I416-L448 HydrophobicContact CD1-CD1 4.13Å; I416-L448 HydrophobicContact CD1-CD2 4.5Å; I416-L448 HydrophobicContact CD1-CG 4.32Å; I416-L450 HydrophobicContact CD1-CB 4.04Å; I416-L450 HydrophobicContact CD1-CD1 4.47Å; I416-L450 HydrophobicContact CD1-CD2 4.27Å; I416-L450 HydrophobicContact CG1-CD1 4.09Å; I416-L450 HydrophobicContact CG1-CD2 4.34Å
417R97.1Very high96.5Very high178 Ų17846.7 Ų46.767%0.67222%0.223SC*.Hα-helixtrans-76.9-39.6-172.5-71.3-169.9177.7154.312.4113.6E413 H414E413-R417 HydrophobicContact CG-CG 4.49Å; E413-R417 WeakPolarHBondContact O-CB 3.41Å; E413-R417 PolarHBondContact O-N 3.19Å; E413-R417 IonicContact OE1-CZ 2.77Å; E413-R417 IonicContact OE1-NE 2.82Å; E413-R417 IonicContact OE1-NH1 3.72Å; E413-R417 PolarHBondContact OE1-NH1 2.81Å; E413-R417 VanDerWaalsContact OE1-NH1 3.11Å; E413-R417 IonicContact OE1-NH2 3.3Å; E413-R417 PolarHBondContact OE1-NH2 2.96Å; H414-R417 PolarHBondContact O-N 3.44Å
418I96.9Very high96.7Very high105 Ų10544.9 Ų44.954%0.53821%0.209SC..THydrogen-bonded Turntrans-94.6-53.5-174.3-53.5-54.8000110H414 Q420H414-I418 WeakPolarHBondContact O-CB 3.4Å; H414-I418 PolarHBondContact O-N 3.29Å; I418-Q420 VanDerWaalsContact C-N 3.35Å
419D95.9Very high96.6Very high27 Ų2747.1 Ų47.114%0.14422%0.223CC..SBendtrans-86.8-4.6-175.9-58.7-48.8000113.1R358 N396 H414 L415 V421R358-D419 PolarHBondContact NE-O 2.98Å; R358-D419 PolarHBondContact NH2-O 3.14Å; N396-D419 PolarHBondContact ND2-OD2 3.17Å; H414-D419 IonicContact CD2-OD2 3.58Å; L415-D419 WeakPolarHBondContact CD2-OD2 3.32Å; L415-D419 CarbonylContact O-C 3.34Å; L415-D419 VanDerWaalsContact O-C 3.3Å; L415-D419 WeakPolarHBondContact O-CA 3.21Å; L415-D419 WeakPolarHBondContact O-CB 3.24Å; L415-D419 PolarHBondContact O-N 3.41Å; D419-V421 HydrophobicContact CB-CG2 3.68Å; D419-V421 PolarHBondContact O-N 3.46Å
420Q96.4Very high96.3Very high135 Ų13548.9 Ų48.963%0.63123%0.234SC*.  trans54.133.4-178.5-59.617855.300112.9R358 L415 I416 I418R358-Q420 WeakPolarHBondContact CB-O 3.33Å; L415-Q420 PolarHBondContact O-N 3.27Å; I416-Q420 VanDerWaalsContact O-CA 3.22Å; I416-Q420 WeakPolarHBondContact O-CA 3.39Å; I416-Q420 PolarHBondContact O-N 2.87Å; I418-Q420 VanDerWaalsContact C-N 3.35Å
421V97.8Very high95.6Very high3 Ų345.4 Ų45.42%0.01823%0.225CC..  trans-75.3134.3-176.8168.80000110.6R358 A360 A395 L415 D419 F423 V424 L450R358-V421 WeakPolarHBondContact O-CA 3.43Å; A360-V421 HydrophobicContact CB-CG1 4.03Å; A360-V421 HydrophobicContact CB-CG2 4.04Å; A395-V421 HydrophobicContact CB-CG2 4.14Å; L415-V421 HydrophobicContact CB-CB 4.04Å; L415-V421 HydrophobicContact CB-CG1 4.48Å; L415-V421 HydrophobicContact CB-CG2 4.3Å; L415-V421 WeakPolarHBondContact O-CB 3.4Å; L415-V421 PolarHBondContact O-N 3.39Å; D419-V421 HydrophobicContact CB-CG2 3.68Å; D419-V421 PolarHBondContact O-N 3.46Å; V421-F423 VanDerWaalsContact CG1-O 3.22Å; V421-F423 WeakPolarHBondContact CG1-O 3.26Å; V421-V424 HydrophobicContact CG1-CG2 3.85Å; V421-L450 HydrophobicContact CG1-CD1 4.2Å; V421-L450 WeakPolarHBondContact O-CD1 3.06Å
422T96.4Very high94.6Very high77 Ų7749.5 Ų49.547%0.47224%0.244SC..  trans-110.6-16.4176.456.20000113.1R358 L450 T451R358-T422 PolarHBondContact O-N 3.45Å; R358-T422 PolarHBondContact O-OG1 3.01Å; T422-L450 VanDerWaalsContact C-CD1 3.48Å; T422-L450 WeakPolarHBondContact O-CD1 3.38Å; T422-T451 PolarHBondContact O-N 2.83Å
423F98Very high93.7Very high1 Ų154.1 Ų54.10%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-138.4134.3-178.6173.5-113.5000112.2V356 W359 A360 M390 V421 L425 T451 Q453 V480V356-F423 HydrophobicContact CG1-CB 4.02Å; V356-F423 HydrophobicContact CG1-CD1 3.63Å; V356-F423 HydrophobicContact CG1-CE1 4.48Å; V356-F423 HydrophobicContact CG1-CG 4.08Å; W359-F423 CarbonylContact C-O 3.6Å; W359-F423 WeakPolarHBondContact CA-O 3.45Å; W359-F423 HydrophobicContact CB-CB 4.08Å; W359-F423 HydrophobicContact CB-CD1 3.72Å; W359-F423 HydrophobicContact CB-CG 4.38Å; W359-F423 WeakPolarHBondContact CB-O 3.49Å; W359-F423 HydrophobicContact CE3-CE1 4.5Å; W359-F423 HydrophobicContact CG-CD1 4.39Å; A360-F423 PolarHBondContact N-O 3.27Å; M390-F423 HydrophobicContact CE-CE1 4.45Å; V421-F423 VanDerWaalsContact CG1-O 3.22Å; V421-F423 WeakPolarHBondContact CG1-O 3.26Å; F423-L425 HydrophobicContact CE1-CB 4.29Å; F423-L425 HydrophobicContact CZ-CB 4.37Å; F423-L425 HydrophobicContact CZ-CD1 4.28Å; F423-T451 CarbonylContact C-O 3.27Å; F423-T451 WeakPolarHBondContact CA-O 3.49Å; F423-T451 HydrophobicContact CD2-CG2 3.97Å; F423-T451 WeakPolarHBondContact CD2-O 3.13Å; F423-Q453 HydrophobicContact CE2-CB 3.65Å; F423-Q453 HydrophobicContact CZ-CB 3.65Å; F423-V480 HydrophobicContact CE1-CG1 4.16Å; F423-V480 HydrophobicContact CZ-CG1 4.02Å; F423-V480 HydrophobicContact CZ-CG2 3.86Å
424V98.3Very high93.1Very high0 Ų052.9 Ų52.90%027%0.269CS..EExtended strand (participates in β ladder)trans-123.5128.6174-173.20000111.3A360 A362 F412 L415 V421 L450 T451 T452 Q453A360-V424 HydrophobicContact CB-CG2 4.37Å; A360-V424 WeakPolarHBondContact O-CA 3.04Å; A362-V424 HydrophobicContact CB-CG1 3.89Å; F412-V424 HydrophobicContact CE1-CG1 4.33Å; L415-V424 HydrophobicContact CD1-CG2 3.81Å; V421-V424 HydrophobicContact CG1-CG2 3.85Å; V424-L450 HydrophobicContact CG2-CD1 4.19Å; V424-L450 HydrophobicContact CG2-CD2 3.59Å; V424-L450 HydrophobicContact CG2-CG 4.08Å; V424-T451 PolarHBondContact N-O 2.79Å; V424-T452 HydrophobicContact CB-CG2 4.39Å; V424-T452 WeakPolarHBondContact O-CA 3.46Å; V424-Q453 PolarHBondContact O-N 3.39Å
425L98.1Very high92.8Very high0 Ų051.5 Ų51.50%026%0.264CS..EExtended strand (participates in β ladder)trans-92.9111.5168.4-169.672.3000109.6W359 A360 V361 A362 M376 L379 F423 L427 Q453 L455W359-L425 HydrophobicContact CZ3-CB 4.48Å; A360-L425 PolarHBondContact O-N 2.94Å; V361-L425 WeakPolarHBondContact CA-O 3.42Å; A362-L425 PolarHBondContact N-O 3.08Å; M376-L425 HydrophobicContact CE-CD2 3.42Å; M376-L425 VanDerWaalsContact CE-CD2 3.42Å; M376-L425 HydrophobicContact SD-CD2 3.31Å; M376-L425 WeakPolarHBondContact SD-CD2 3.27Å; L379-L425 HydrophobicContact CD2-CD2 3.98Å; F423-L425 HydrophobicContact CE1-CB 4.29Å; F423-L425 HydrophobicContact CZ-CB 4.37Å; F423-L425 HydrophobicContact CZ-CD1 4.28Å; L425-L427 HydrophobicContact CD2-CD2 4.38Å; L425-L427 HydrophobicContact CG-CD2 4.35Å; L425-Q453 CarbonylContact C-O 3.41Å; L425-Q453 WeakPolarHBondContact CA-O 3.35Å; L425-Q453 HydrophobicContact CD1-CB 3.76Å; L425-Q453 HydrophobicContact CD1-CG 3.64Å; L425-L455 HydrophobicContact CD1-CD1 3.86Å; L425-L455 HydrophobicContact CD1-CG 4.02Å; L425-L455 HydrophobicContact CD2-CD1 4.16Å; L425-L455 HydrophobicContact CG-CD1 4.26Å
426C97.5Very high92.5Very high0 Ų052.3 Ų52.30%027%0.268CS..EExtended strand (participates in β ladder)trans-100116.5-177.3-51.20000110.7A362 F364 I440 Q453 C454 L455A362-C426 CarbonylContact O-C 3.59Å; A362-C426 WeakPolarHBondContact O-CA 3.24Å; F364-C426 HydrophobicContact CE2-CB 4.23Å; C426-I440 HydrophobicContact CB-CD1 3.98Å; C426-Q453 PolarHBondContact N-O 2.92Å; C426-C454 CarbonylContact O-C 3.58Å; C426-C454 VanDerWaalsContact O-CA 3.3Å; C426-C454 WeakPolarHBondContact O-CA 3.34Å; C426-L455 PolarHBondContact O-N 2.81Å
427L97Very high92.4Very high0 Ų053.1 Ų53.10%027%0.27CS..EExtended strand (participates in β ladder)trans-91.3118173.9-45.5-176.9000108.7V361 A362 N363 F364 C365 V372 M376 L425 L455 V460V361-L427 HydrophobicContact CG1-CD1 4.34Å; V361-L427 HydrophobicContact CG1-CG 4.39Å; A362-L427 PolarHBondContact O-N 3.34Å; N363-L427 HydrophobicContact CB-CD1 4.49Å; F364-L427 WeakPolarHBondContact CA-O 3.32Å; F364-L427 VanDerWaalsContact CB-O 3.27Å; F364-L427 WeakPolarHBondContact CB-O 3.18Å; F364-L427 WeakPolarHBondContact CD2-O 3.27Å; F364-L427 PolarHBondContact N-O 2.95Å; C365-L427 WeakPolarHBondContact SG-CB 3.39Å; V372-L427 HydrophobicContact CB-CD1 4.48Å; V372-L427 HydrophobicContact CG1-CD1 3.82Å; V372-L427 HydrophobicContact CG2-CD1 3.86Å; M376-L427 HydrophobicContact CE-CD1 4.24Å; M376-L427 HydrophobicContact CE-CD2 4.12Å; L425-L427 HydrophobicContact CD2-CD2 4.38Å; L425-L427 HydrophobicContact CG-CD2 4.35Å; L427-L455 CarbonylContact C-O 3.48Å; L427-L455 HydrophobicContact CD2-CB 4.11Å; L427-L455 HydrophobicContact CD2-CD1 4.14Å; L427-V460 HydrophobicContact CD1-CG2 4.33Å; L427-V460 HydrophobicContact CD2-CG2 3.87Å; L427-V460 HydrophobicContact CG-CG2 4.48Å
428M94.8Very high92.3Very high18 Ų1845.5 Ų45.59%0.08924%0.242CC..EExtended strand (participates in β ladder)trans-114.9149.8-170.6-59.3-172.4-47.700111.9L436 K437 I440 C454 L455 R456 A457M428-L436 HydrophobicContact CB-CD2 4.45Å; M428-L436 HydrophobicContact CG-CD2 4.27Å; M428-L436 HydrophobicContact SD-CG 4.48Å; M428-K437 HydrophobicContact CE-CB 3.91Å; M428-K437 HydrophobicContact CE-CG 4.28Å; M428-K437 HydrophobicContact SD-CB 3.9Å; M428-I440 HydrophobicContact CG-CD1 4.21Å; M428-I440 HydrophobicContact SD-CD1 3.85Å; M428-C454 HydrophobicContact CE-CB 3.48Å; M428-C454 VanDerWaalsContact CE-CB 3.48Å; M428-C454 HydrophobicContact CG-CB 4.38Å; M428-C454 HydrophobicContact SD-CB 3.69Å; M428-L455 PolarHBondContact N-O 2.8Å; M428-R456 CarbonylContact O-C 3.59Å; M428-A457 PolarHBondContact O-N 3.48Å
429P92.3Very high92.2Very high47 Ų4743.8 Ų43.831%0.30523%0.229SC..  trans-60.2157.2168.227.6-34.9000111.4S431 L436P429-S431 PolarHBondContact O-N 3.1Å; P429-L436 HydrophobicContact CG-CD2 4.41Å
430D87.8Confident92.2Very high89 Ų8942.5 Ų42.548%0.47622%0.222SC..  trans-75.873175.6-68.4-54000110.6R456 Q458D430-R456 VanDerWaalsContact OD1-CB 3.32Å; D430-R456 WeakPolarHBondContact OD1-CB 3.32Å; D430-Q458 PolarHBondContact OD1-N 3.06Å; D430-Q458 PolarHBondContact OD2-N 2.95Å; D430-Q458 VanDerWaalsContact OD2-N 3.1Å
431S82.2Confident92.2Very high48 Ų4836.3 Ų36.334%0.33619%0.193SC..  trans-97.6148.5173.7-177.60000112.6P429 D433P429-S431 PolarHBondContact O-N 3.1Å; S431-D433 PolarHBondContact OG-N 3.01Å; S431-D433 PolarHBondContact OG-OD1 2.87Å; S431-D433 PolarHBondContact OG-OD2 2.74Å; S431-D433 VanDerWaalsContact OG-OD2 3.1Å
432K72.9Confident92.1Very high120 Ų12036.5 Ų36.552%0.52219%0.194SC..SBendtrans-88-27.6173.6-67.9-170.7175.6-148.30114.1D263 G434D263-K432 WeakPolarHBondContact OD1-CE 3.31Å; D263-K432 IonicContact OD1-NZ 3.82Å; D263-K432 PolarHBondContact OD1-NZ 2.8Å; D263-K432 WeakPolarHBondContact OD2-CE 3.17Å; D263-K432 IonicContact OD2-NZ 2.96Å; K432-G434 VanDerWaalsContact C-N 3.25Å; K432-G434 PolarHBondContact O-N 3.43Å
433D78.7Confident92.1Very high98 Ų9832.9 Ų32.952%0.52417%0.172SC..SBendtrans-69.9-23.9-17159.531.5000113S431 I435S431-D433 PolarHBondContact OG-N 3.01Å; S431-D433 PolarHBondContact OG-OD1 2.87Å; S431-D433 PolarHBondContact OG-OD2 2.74Å; S431-D433 VanDerWaalsContact OG-OD2 3.1Å; D433-I435 HydrophobicContact CB-CD1 3.87Å; D433-I435 HydrophobicContact CB-CG1 3.86Å; D433-I435 PolarHBondContact O-N 3.27Å; D433-I435 PolarHBondContact OD1-N 2.78Å
434G85.7Confident92.1Very high23 Ų2332.8 Ų32.824%0.23717%0.171CC..  trans70.83.7-177.900000114.3K432 L436 K437 N438K432-G434 VanDerWaalsContact C-N 3.25Å; K432-G434 PolarHBondContact O-N 3.43Å; G434-L436 PolarHBondContact O-N 2.77Å; G434-K437 WeakPolarHBondContact O-CB 3.49Å; G434-K437 PolarHBondContact O-N 2.84Å; G434-N438 WeakPolarHBondContact O-CB 3.45Å; G434-N438 VanDerWaalsContact O-CG 3.22Å; G434-N438 PolarHBondContact O-N 2.96Å; G434-N438 PolarHBondContact O-OD1 3.43Å
435I89.7Confident92Very high60 Ų6032.8 Ų32.831%0.30817%0.171SC..Hα-helixtrans-59.3-51.5-171.2-66.4170.2000110.6D433 K437 N438 R439D433-I435 HydrophobicContact CB-CD1 3.87Å; D433-I435 HydrophobicContact CB-CG1 3.86Å; D433-I435 PolarHBondContact O-N 3.27Å; D433-I435 PolarHBondContact OD1-N 2.78Å; I435-K437 VanDerWaalsContact C-N 3.35Å; I435-K437 PolarHBondContact O-N 2.99Å; I435-N438 PolarHBondContact O-N 2.95Å; I435-R439 WeakPolarHBondContact O-CG 3.39Å; I435-R439 PolarHBondContact O-N 3.36Å
436L92.7Very high91.9Very high18 Ų1833.6 Ų33.69%0.09418%0.176CC..Hα-helixtrans-61.6-42.618017961.9000112F364 P402 L408 M428 P429 G434 N438 R439 I440F364-L436 HydrophobicContact CB-CD2 3.96Å; F364-L436 HydrophobicContact CD1-CD1 4.35Å; F364-L436 HydrophobicContact CD1-CD2 4.11Å; F364-L436 HydrophobicContact CD2-CD2 4.39Å; F364-L436 HydrophobicContact CE1-CD1 4.26Å; F364-L436 HydrophobicContact CG-CD2 3.91Å; P402-L436 HydrophobicContact CB-CD2 4.24Å; P402-L436 HydrophobicContact CG-CD2 4.47Å; L408-L436 HydrophobicContact CD1-CD1 4.34Å; M428-L436 HydrophobicContact CB-CD2 4.45Å; M428-L436 HydrophobicContact CG-CD2 4.27Å; M428-L436 HydrophobicContact SD-CG 4.48Å; P429-L436 HydrophobicContact CG-CD2 4.41Å; G434-L436 PolarHBondContact O-N 2.77Å; L436-N438 VanDerWaalsContact C-N 3.32Å; L436-N438 PolarHBondContact O-N 3Å; L436-R439 PolarHBondContact O-N 2.86Å; L436-I440 HydrophobicContact CD1-CD1 4.06Å; L436-I440 HydrophobicContact CD1-CG1 4.25Å; L436-I440 HydrophobicContact CD2-CD1 4.5Å; L436-I440 HydrophobicContact CG-CD1 3.85Å; L436-I440 HydrophobicContact CG-CG1 4.47Å; L436-I440 VanDerWaalsContact O-CG1 3.3Å; L436-I440 WeakPolarHBondContact O-CG1 3.47Å; L436-I440 PolarHBondContact O-N 3.16Å
437K94.4Very high91.9Very high69 Ų6936.9 Ų36.930%0.319%0.193SC..Hα-helixtrans-58.5-48176.2179.4-164.7150.9-131.20109.9M428 G434 I435 R439 I440 K441 D742M428-K437 HydrophobicContact CE-CB 3.91Å; M428-K437 HydrophobicContact CE-CG 4.28Å; M428-K437 HydrophobicContact SD-CB 3.9Å; G434-K437 WeakPolarHBondContact O-CB 3.49Å; G434-K437 PolarHBondContact O-N 2.84Å; I435-K437 VanDerWaalsContact C-N 3.35Å; I435-K437 PolarHBondContact O-N 2.99Å; K437-R439 VanDerWaalsContact C-N 3.33Å; K437-R439 PolarHBondContact O-N 3.29Å; K437-I440 PolarHBondContact O-N 2.96Å; K437-K441 HydrophobicContact CG-CG 4.41Å; K437-K441 WeakPolarHBondContact O-CB 3.39Å; K437-K441 VanDerWaalsContact O-CG 3.31Å; K437-K441 WeakPolarHBondContact O-CG 3.17Å; K437-K441 PolarHBondContact O-N 3.33Å; K437-D742 IonicContact NZ-OD2 3.83Å; K437-D742 PolarHBondContact NZ-OD2 3.28Å
438N94.5Very high91.9Very high17 Ų1738.1 Ų38.19%0.09120%0.2CC..Hα-helixtrans-64.1-40.1-177.5-67.23.4000110.9G434 I435 L436 K441 F442 A746G434-N438 WeakPolarHBondContact O-CB 3.45Å; G434-N438 VanDerWaalsContact O-CG 3.22Å; G434-N438 PolarHBondContact O-N 2.96Å; G434-N438 PolarHBondContact O-OD1 3.43Å; I435-N438 PolarHBondContact O-N 2.95Å; L436-N438 VanDerWaalsContact C-N 3.32Å; L436-N438 PolarHBondContact O-N 3Å; N438-K441 PolarHBondContact O-N 3.37Å; N438-F442 WeakPolarHBondContact O-CB 3.26Å; N438-F442 PolarHBondContact O-N 2.91Å; N438-A746 HydrophobicContact CB-CB 4.09Å
439R94.9Very high91.9Very high70 Ų7037.9 Ų37.926%0.26420%0.202SC..Hα-helixtrans-62.1-48.3172.8-68.7178.6-177.4171.82.2112.6S403 V405 L408 I435 L436 K437 K441 F442 V443S403-R439 PolarHBondContact O-NH1 2.86Å; V405-R439 HydrophobicContact CG2-CB 4.13Å; V405-R439 HydrophobicContact CG2-CG 3.73Å; L408-R439 HydrophobicContact CD1-CB 3.76Å; I435-R439 WeakPolarHBondContact O-CG 3.39Å; I435-R439 PolarHBondContact O-N 3.36Å; L436-R439 PolarHBondContact O-N 2.86Å; K437-R439 VanDerWaalsContact C-N 3.33Å; K437-R439 PolarHBondContact O-N 3.29Å; R439-K441 VanDerWaalsContact C-N 3.26Å; R439-K441 PolarHBondContact O-N 3.19Å; R439-F442 PolarHBondContact O-N 3.1Å; R439-V443 WeakPolarHBondContact O-CG2 3.44Å; R439-V443 PolarHBondContact O-N 3.43Å
440I96.3Very high92.2Very high0 Ų035.7 Ų35.70%019%0.188CC..Hα-helixtrans-57-44.1176.2-71.5165.6000110.3F364 L408 F412 C426 M428 L436 K437 G444 T452F364-I440 HydrophobicContact CD2-CD1 4.37Å; F364-I440 HydrophobicContact CE2-CD1 3.85Å; F364-I440 HydrophobicContact CZ-CD1 4.26Å; L408-I440 HydrophobicContact CD1-CG1 4.29Å; L408-I440 HydrophobicContact CD2-CG1 4.47Å; F412-I440 HydrophobicContact CE2-CG2 4.22Å; F412-I440 HydrophobicContact CZ-CG2 4.19Å; C426-I440 HydrophobicContact CB-CD1 3.98Å; M428-I440 HydrophobicContact CG-CD1 4.21Å; M428-I440 HydrophobicContact SD-CD1 3.85Å; L436-I440 HydrophobicContact CD1-CD1 4.06Å; L436-I440 HydrophobicContact CD1-CG1 4.25Å; L436-I440 HydrophobicContact CD2-CD1 4.5Å; L436-I440 HydrophobicContact CG-CD1 3.85Å; L436-I440 HydrophobicContact CG-CG1 4.47Å; L436-I440 VanDerWaalsContact O-CG1 3.3Å; L436-I440 WeakPolarHBondContact O-CG1 3.47Å; L436-I440 PolarHBondContact O-N 3.16Å; K437-I440 PolarHBondContact O-N 2.96Å; I440-G444 PolarHBondContact O-N 3.01Å; I440-T452 HydrophobicContact CG2-CG2 4.02Å
441K96.2Very high92.7Very high4 Ų431.7 Ų31.72%0.01717%0.167CC..Hα-helixtrans-66.6-42.4178.4-68.1-37.8-158.81530112.6K437 N438 R439 E445 T452 L743K437-K441 HydrophobicContact CG-CG 4.41Å; K437-K441 WeakPolarHBondContact O-CB 3.39Å; K437-K441 VanDerWaalsContact O-CG 3.31Å; K437-K441 WeakPolarHBondContact O-CG 3.17Å; K437-K441 PolarHBondContact O-N 3.33Å; N438-K441 PolarHBondContact O-N 3.37Å; R439-K441 VanDerWaalsContact C-N 3.26Å; R439-K441 PolarHBondContact O-N 3.19Å; K441-E445 WeakPolarHBondContact CD-OE1 3.41Å; K441-E445 WeakPolarHBondContact CE-OE1 3.13Å; K441-E445 IonicContact NZ-OE1 2.66Å; K441-E445 PolarHBondContact NZ-OE1 3.27Å; K441-E445 WeakPolarHBondContact O-CA 3.31Å; K441-E445 WeakPolarHBondContact O-CB 3.05Å; K441-E445 WeakPolarHBondContact O-CG 2.84Å; K441-E445 PolarHBondContact O-N 3.03Å; K441-T452 WeakPolarHBondContact CD-OG1 3.34Å; K441-T452 PolarHBondContact NZ-O 3.43Å; K441-T452 PolarHBondContact NZ-OG1 2.97Å; K441-L743 HydrophobicContact CB-CD2 4.17Å
442F96.3Very high93.4Very high8 Ų829.4 Ų29.44%0.03515%0.151CC..Hα-helixtrans-64-51177.2-177.9-106.9000112V405 N438 R439 G444 V446 L447 L743 A746 F747 I773V405-F442 HydrophobicContact CG1-CD1 4.31Å; V405-F442 HydrophobicContact CG1-CE1 4.43Å; N438-F442 WeakPolarHBondContact O-CB 3.26Å; N438-F442 PolarHBondContact O-N 2.91Å; R439-F442 PolarHBondContact O-N 3.1Å; F442-G444 PolarHBondContact O-N 3.42Å; F442-V446 HydrophobicContact CD2-CB 4Å; F442-V446 HydrophobicContact CD2-CG1 4.23Å; F442-V446 HydrophobicContact CD2-CG2 3.98Å; F442-V446 HydrophobicContact CE2-CB 4.07Å; F442-V446 HydrophobicContact CE2-CG1 3.78Å; F442-V446 HydrophobicContact CE2-CG2 4.31Å; F442-V446 HydrophobicContact CZ-CG1 4.38Å; F442-V446 WeakPolarHBondContact O-CA 3.49Å; F442-V446 VanDerWaalsContact O-CB 3.25Å; F442-V446 WeakPolarHBondContact O-CB 3.44Å; F442-V446 PolarHBondContact O-N 2.95Å; F442-L447 HydrophobicContact CD1-CD1 4.16Å; F442-L447 HydrophobicContact CD1-CG 4.35Å; F442-L447 HydrophobicContact CE1-CD1 3.81Å; F442-L447 HydrophobicContact CE1-CD2 4.06Å; F442-L447 HydrophobicContact CE1-CG 3.99Å; F442-L447 HydrophobicContact CZ-CD2 4.01Å; F442-L447 HydrophobicContact CZ-CG 4.34Å; F442-L447 PolarHBondContact O-N 2.8Å; F442-L743 HydrophobicContact CB-CD2 4.06Å; F442-L743 HydrophobicContact CD2-CD2 4.31Å; F442-A746 HydrophobicContact CB-CB 3.6Å; F442-A746 HydrophobicContact CD2-CB 4.46Å; F442-A746 HydrophobicContact CG-CB 3.98Å; F442-F747 HydrophobicContact CE2-CB 3.95Å; F442-F747 HydrophobicContact CE2-CD2 4.2Å; F442-F747 HydrophobicContact CZ-CB 4.2Å; F442-F747 AromaticContact CZ-CD2 3.84Å; F442-F747 HydrophobicContact CZ-CD2 3.84Å; F442-I773 HydrophobicContact CE2-CG2 4.19Å
443V96.4Very high94.6Very high0 Ų024.3 Ų24.30%013%0.129CC..Iπ-helixtrans-62.1-47.4178.7176.80000111.2V405 L408 H409 F412 R439 L447 L448V405-V443 HydrophobicContact CB-CG2 4.47Å; V405-V443 HydrophobicContact CG1-CG2 3.8Å; L408-V443 HydrophobicContact CB-CG1 4.47Å; L408-V443 HydrophobicContact CB-CG2 4.05Å; H409-V443 HydrophobicContact CB-CG1 4.11Å; F412-V443 HydrophobicContact CB-CG1 4.29Å; F412-V443 HydrophobicContact CD2-CB 4.34Å; F412-V443 HydrophobicContact CD2-CG1 3.73Å; F412-V443 HydrophobicContact CE2-CG1 4.49Å; F412-V443 HydrophobicContact CG-CG1 4.33Å; R439-V443 WeakPolarHBondContact O-CG2 3.44Å; R439-V443 PolarHBondContact O-N 3.43Å; V443-L447 HydrophobicContact CG2-CD1 4.32Å; V443-L447 WeakPolarHBondContact O-CB 3.39Å; V443-L447 PolarHBondContact O-N 2.82Å; V443-L448 HydrophobicContact CG1-CD1 3.79Å; V443-L448 HydrophobicContact CG1-CG 4.44Å; V443-L448 WeakPolarHBondContact O-CB 3.3Å; V443-L448 PolarHBondContact O-N 3.41Å; V443-L448 VanDerWaalsContact O-N 3.1Å
444G96.9Very high95.5Very high0 Ų020.6 Ų20.60%011%0.11CC..Iπ-helixtrans-67.2-56.9-179.400000112.5I440 F442 G449 L450I440-G444 PolarHBondContact O-N 3.01Å; F442-G444 PolarHBondContact O-N 3.42Å; G444-G449 CarbonylContact O-C 3.51Å; G444-G449 WeakPolarHBondContact O-CA 3.44Å; G444-G449 PolarHBondContact O-N 2.85Å; G444-L450 CarbonylContact C-O 3.53Å; G444-L450 WeakPolarHBondContact CA-O 3.37Å; G444-L450 PolarHBondContact O-N 3.11Å
445E97.1Very high96Very high0 Ų019.9 Ų19.90%010%0.101CC..Iπ-helixtrans-87.5-23.8-165.9-57.1173-18000113.9K441 R739 M775 H776 V779K441-E445 WeakPolarHBondContact CD-OE1 3.41Å; K441-E445 WeakPolarHBondContact CE-OE1 3.13Å; K441-E445 IonicContact NZ-OE1 2.66Å; K441-E445 PolarHBondContact NZ-OE1 3.27Å; K441-E445 WeakPolarHBondContact O-CA 3.31Å; K441-E445 WeakPolarHBondContact O-CB 3.05Å; K441-E445 WeakPolarHBondContact O-CG 2.84Å; K441-E445 PolarHBondContact O-N 3.03Å; E445-R739 IonicContact OE1-CZ 2.73Å; E445-R739 IonicContact OE1-NH1 2.66Å; E445-R739 PolarHBondContact OE1-NH1 3.03Å; E445-R739 IonicContact OE1-NH2 3.1Å; E445-R739 WeakPolarHBondContact OE2-CD 3.48Å; E445-R739 IonicContact OE2-CZ 3.11Å; E445-R739 IonicContact OE2-NE 3.55Å; E445-R739 IonicContact OE2-NH1 2.99Å; E445-R739 PolarHBondContact OE2-NH1 2.85Å; E445-M775 WeakPolarHBondContact O-CA 3.34Å; E445-H776 WeakPolarHBondContact O-CB 3.37Å; E445-H776 PolarHBondContact O-N 2.88Å; E445-V779 HydrophobicContact CB-CG2 4.18Å; E445-V779 VanDerWaalsContact O-CG2 3.27Å; E445-V779 WeakPolarHBondContact O-CG2 3.47Å
446V96.6Very high96.2Very high16 Ų1624 Ų2410%0.09711%0.113CC..Iπ-helixtrans-103.4-49.9-178.9175.30000111.1F442 L743 K772 I773 N774F442-V446 HydrophobicContact CD2-CB 4Å; F442-V446 HydrophobicContact CD2-CG1 4.23Å; F442-V446 HydrophobicContact CD2-CG2 3.98Å; F442-V446 HydrophobicContact CE2-CB 4.07Å; F442-V446 HydrophobicContact CE2-CG1 3.78Å; F442-V446 HydrophobicContact CE2-CG2 4.31Å; F442-V446 HydrophobicContact CZ-CG1 4.38Å; F442-V446 WeakPolarHBondContact O-CA 3.49Å; F442-V446 VanDerWaalsContact O-CB 3.25Å; F442-V446 WeakPolarHBondContact O-CB 3.44Å; F442-V446 PolarHBondContact O-N 2.95Å; V446-L743 HydrophobicContact CG2-CD1 3.93Å; V446-L743 HydrophobicContact CG2-CD2 3.91Å; V446-L743 HydrophobicContact CG2-CG 4.42Å; V446-K772 VanDerWaalsContact CG1-O 3.26Å; V446-K772 WeakPolarHBondContact CG1-O 3.28Å; V446-I773 WeakPolarHBondContact CG2-O 3.3Å; V446-N774 WeakPolarHBondContact CG1-O 3.05Å
447L95.7Very high96.3Very high69 Ų6923.7 Ų23.736%0.36111%0.113SC..Iπ-helixtrans-82.9-37.6-171.6-57.2-177.3000113.4V405 F442 V443V405-L447 HydrophobicContact CG1-CD1 4.35Å; F442-L447 HydrophobicContact CD1-CD1 4.16Å; F442-L447 HydrophobicContact CD1-CG 4.35Å; F442-L447 HydrophobicContact CE1-CD1 3.81Å; F442-L447 HydrophobicContact CE1-CD2 4.06Å; F442-L447 HydrophobicContact CE1-CG 3.99Å; F442-L447 HydrophobicContact CZ-CD2 4.01Å; F442-L447 HydrophobicContact CZ-CG 4.34Å; F442-L447 PolarHBondContact O-N 2.8Å; V443-L447 HydrophobicContact CG2-CD1 4.32Å; V443-L447 WeakPolarHBondContact O-CB 3.39Å; V443-L447 PolarHBondContact O-N 2.82Å
448L97Very high96.2Very high26 Ų2625.7 Ų25.714%0.13612%0.123CC..Iπ-helixtrans-121.7-11.6-165.8-65.7178.4000115.4F412 E413 I416 V443 L450F412-L448 HydrophobicContact CB-CD1 3.38Å; E413-L448 HydrophobicContact CB-CD1 4.4Å; E413-L448 HydrophobicContact CB-CD2 4.32Å; I416-L448 HydrophobicContact CD1-CB 3.65Å; I416-L448 HydrophobicContact CD1-CD1 4.13Å; I416-L448 HydrophobicContact CD1-CD2 4.5Å; I416-L448 HydrophobicContact CD1-CG 4.32Å; V443-L448 HydrophobicContact CG1-CD1 3.79Å; V443-L448 HydrophobicContact CG1-CG 4.44Å; V443-L448 WeakPolarHBondContact O-CB 3.3Å; V443-L448 PolarHBondContact O-N 3.41Å; V443-L448 VanDerWaalsContact O-N 3.1Å; L448-L450 VanDerWaalsContact C-N 3.34Å; L448-L450 PolarHBondContact O-N 2.82Å
449G96.7Very high96.2Very high14 Ų1426.8 Ų26.814%0.14413%0.131CC..  trans64.836.5-176.300000113.9G444 H776 V779G444-G449 CarbonylContact O-C 3.51Å; G444-G449 WeakPolarHBondContact O-CA 3.44Å; G444-G449 PolarHBondContact O-N 2.85Å; G449-H776 VanDerWaalsContact CA-CG 3.49Å; G449-V779 WeakPolarHBondContact O-CG1 3.2Å
450L97.5Very high96.2Very high1 Ų123.5 Ų23.51%0.00512%0.118CC..  trans-106124.3-179.7-176.564.7000111.7F412 I416 V421 T422 V424 G444 L448F412-L450 HydrophobicContact CB-CD2 3.84Å; F412-L450 HydrophobicContact CD1-CD2 4.28Å; F412-L450 HydrophobicContact CD2-CD2 3.72Å; F412-L450 HydrophobicContact CE2-CD2 4.34Å; F412-L450 HydrophobicContact CG-CD2 3.7Å; I416-L450 HydrophobicContact CD1-CB 4.04Å; I416-L450 HydrophobicContact CD1-CD1 4.47Å; I416-L450 HydrophobicContact CD1-CD2 4.27Å; I416-L450 HydrophobicContact CG1-CD1 4.09Å; I416-L450 HydrophobicContact CG1-CD2 4.34Å; V421-L450 HydrophobicContact CG1-CD1 4.2Å; V421-L450 WeakPolarHBondContact O-CD1 3.06Å; T422-L450 VanDerWaalsContact C-CD1 3.48Å; T422-L450 WeakPolarHBondContact O-CD1 3.38Å; V424-L450 HydrophobicContact CG2-CD1 4.19Å; V424-L450 HydrophobicContact CG2-CD2 3.59Å; V424-L450 HydrophobicContact CG2-CG 4.08Å; G444-L450 CarbonylContact C-O 3.53Å; G444-L450 WeakPolarHBondContact CA-O 3.37Å; G444-L450 PolarHBondContact O-N 3.11Å; L448-L450 VanDerWaalsContact C-N 3.34Å; L448-L450 PolarHBondContact O-N 2.82Å
451T97.8Very high96.1Very high4 Ų430.6 Ų30.63%0.02515%0.149CC..EExtended strand (participates in β ladder)trans-75.3132179.2-650000110.7T422 F423 V424 K483 Q782 V784T422-T451 PolarHBondContact O-N 2.83Å; F423-T451 CarbonylContact C-O 3.27Å; F423-T451 WeakPolarHBondContact CA-O 3.49Å; F423-T451 HydrophobicContact CD2-CG2 3.97Å; F423-T451 WeakPolarHBondContact CD2-O 3.13Å; V424-T451 PolarHBondContact N-O 2.79Å; T451-K483 HydrophobicContact CG2-CB 3.7Å; T451-Q782 PolarHBondContact OG1-OE1 3.28Å; T451-V784 HydrophobicContact CG2-CG1 4.42Å
452T97.9Very high96.1Very high1 Ų136.4 Ų36.41%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-129.2141.4-177.257.30000113.2F412 V424 I440 K441F412-T452 HydrophobicContact CE2-CG2 4.07Å; F412-T452 HydrophobicContact CZ-CG2 4.42Å; V424-T452 HydrophobicContact CB-CG2 4.39Å; V424-T452 WeakPolarHBondContact O-CA 3.46Å; I440-T452 HydrophobicContact CG2-CG2 4.02Å; K441-T452 WeakPolarHBondContact CD-OG1 3.34Å; K441-T452 PolarHBondContact NZ-O 3.43Å; K441-T452 PolarHBondContact NZ-OG1 2.97Å
453Q97.8Very high96Very high12 Ų1236 Ų366%0.05617%0.173CC..EExtended strand (participates in β ladder)trans-121.2118.4168.2176.355.958.700109.8F423 V424 L425 C426 L455 V480F423-Q453 HydrophobicContact CE2-CB 3.65Å; F423-Q453 HydrophobicContact CZ-CB 3.65Å; V424-Q453 PolarHBondContact O-N 3.39Å; L425-Q453 CarbonylContact C-O 3.41Å; L425-Q453 WeakPolarHBondContact CA-O 3.35Å; L425-Q453 HydrophobicContact CD1-CB 3.76Å; L425-Q453 HydrophobicContact CD1-CG 3.64Å; C426-Q453 PolarHBondContact N-O 2.92Å; Q453-L455 HydrophobicContact CG-CD2 4.43Å; Q453-V480 HydrophobicContact CB-CG2 4.36Å; Q453-V480 HydrophobicContact CG-CG2 4.14Å
454C96.7Very high96Very high21 Ų2137.8 Ų37.814%0.14218%0.182CC..EExtended strand (participates in β ladder)trans-95.8131.3178.8-48.60000110.8C426 M428C426-C454 CarbonylContact O-C 3.58Å; C426-C454 VanDerWaalsContact O-CA 3.3Å; C426-C454 WeakPolarHBondContact O-CA 3.34Å; M428-C454 HydrophobicContact CE-CB 3.48Å; M428-C454 VanDerWaalsContact CE-CB 3.48Å; M428-C454 HydrophobicContact CG-CB 4.38Å; M428-C454 HydrophobicContact SD-CB 3.69Å
455L96.6Very high95.8Very high8 Ų839.1 Ų39.14%0.04220%0.196CC..EExtended strand (participates in β ladder)trans-119138.4173.5-61.2-179.5000109.6F375 L425 C426 L427 M428 Q453 T459 V476F375-L455 HydrophobicContact CE1-CD1 3.69Å; F375-L455 HydrophobicContact CZ-CD1 3.74Å; L425-L455 HydrophobicContact CD1-CD1 3.86Å; L425-L455 HydrophobicContact CD1-CG 4.02Å; L425-L455 HydrophobicContact CD2-CD1 4.16Å; L425-L455 HydrophobicContact CG-CD1 4.26Å; C426-L455 PolarHBondContact O-N 2.81Å; L427-L455 CarbonylContact C-O 3.48Å; L427-L455 HydrophobicContact CD2-CB 4.11Å; L427-L455 HydrophobicContact CD2-CD1 4.14Å; M428-L455 PolarHBondContact N-O 2.8Å; Q453-L455 HydrophobicContact CG-CD2 4.43Å; L455-T459 HydrophobicContact CD2-CG2 4.41Å; L455-V476 HydrophobicContact CD2-CG1 4.2Å; L455-V476 HydrophobicContact CD2-CG2 3.8Å
456R94.5Very high95.3Very high145 Ų14545.6 Ų45.655%0.54723%0.231SC..EExtended strand (participates in β ladder)trans-76.9148.9174.1-80.4-172.7-173.4171.10.6110.9M428 D430 Q458 T459 V460M428-R456 CarbonylContact O-C 3.59Å; D430-R456 VanDerWaalsContact OD1-CB 3.32Å; D430-R456 WeakPolarHBondContact OD1-CB 3.32Å; R456-Q458 PolarHBondContact O-N 2.82Å; R456-T459 WeakPolarHBondContact O-CA 3.4Å; R456-T459 WeakPolarHBondContact O-CB 3.38Å; R456-T459 PolarHBondContact O-N 2.87Å; R456-V460 PolarHBondContact O-N 2.71Å
457A94.3Very high94.7Very high12 Ų1254 Ų5410%0.09927%0.266CS..Hα-helixtrans-53.3-42.4177.400000111.9C365 Y367 M428 T459 V460 K461C365-A457 HydrophobicContact CB-CB 3.9Å; Y367-A457 HydrophobicContact CE2-CB 3.96Å; Y367-A457 PolarHBondContact OH-O 3.19Å; M428-A457 PolarHBondContact O-N 3.48Å; A457-T459 PolarHBondContact O-N 2.92Å; A457-V460 WeakPolarHBondContact O-CB 3.4Å; A457-V460 PolarHBondContact O-N 2.62Å; A457-V460 VanDerWaalsContact O-N 3.1Å; A457-K461 PolarHBondContact O-N 3.23Å
458Q92.2Very high93.9Very high111 Ų11153.6 Ų53.652%0.51928%0.278SS..Hα-helixtrans-61.2-27.8174.2-165175.42700114.1D430 R456 K462D430-Q458 PolarHBondContact OD1-N 3.06Å; D430-Q458 PolarHBondContact OD2-N 2.95Å; D430-Q458 VanDerWaalsContact OD2-N 3.1Å; R456-Q458 PolarHBondContact O-N 2.82Å; Q458-K462 WeakPolarHBondContact O-CG 3.46Å; Q458-K462 PolarHBondContact O-N 2.93Å; Q458-K462 VanDerWaalsContact O-N 3.13Å
459T94.1Very high93.6Very high41 Ų4153.8 Ų53.825%0.25228%0.281SS..Hα-helixtrans-72.1-41.9175-52.40000110.6L455 R456 A457 K462 G463 L472L455-T459 HydrophobicContact CD2-CG2 4.41Å; R456-T459 WeakPolarHBondContact O-CA 3.4Å; R456-T459 WeakPolarHBondContact O-CB 3.38Å; R456-T459 PolarHBondContact O-N 2.87Å; A457-T459 PolarHBondContact O-N 2.92Å; T459-K462 PolarHBondContact O-N 3.47Å; T459-G463 PolarHBondContact O-N 2.9Å; T459-L472 HydrophobicContact CG2-CD1 3.87Å; T459-L472 HydrophobicContact CG2-CD2 4.22Å; T459-L472 HydrophobicContact CG2-CG 4.12Å; T459-L472 WeakPolarHBondContact O-CD1 3.4Å
460V95.3Very high93.4Very high0 Ų056.9 Ų56.90%029%0.294CS..Hα-helixtrans-60.7-48174.2-176.60000110.1Y367 F375 L427 R456 A457 K462 G463 L464Y367-V460 HydrophobicContact CD2-CB 4.31Å; Y367-V460 HydrophobicContact CD2-CG1 4.04Å; Y367-V460 HydrophobicContact CE2-CB 3.9Å; Y367-V460 HydrophobicContact CE2-CG1 4.01Å; Y367-V460 HydrophobicContact CG-CG1 4.45Å; F375-V460 HydrophobicContact CB-CG1 4.48Å; F375-V460 HydrophobicContact CD2-CB 4.46Å; F375-V460 HydrophobicContact CD2-CG1 4Å; F375-V460 HydrophobicContact CG-CG1 4.24Å; L427-V460 HydrophobicContact CD1-CG2 4.33Å; L427-V460 HydrophobicContact CD2-CG2 3.87Å; L427-V460 HydrophobicContact CG-CG2 4.48Å; R456-V460 PolarHBondContact O-N 2.71Å; A457-V460 WeakPolarHBondContact O-CB 3.4Å; A457-V460 PolarHBondContact O-N 2.62Å; A457-V460 VanDerWaalsContact O-N 3.1Å; V460-K462 VanDerWaalsContact C-N 3.28Å; V460-K462 PolarHBondContact O-N 2.79Å; V460-G463 PolarHBondContact O-N 3.33Å; V460-G463 VanDerWaalsContact O-N 3.09Å; V460-L464 HydrophobicContact CG1-CD1 4.04Å; V460-L464 WeakPolarHBondContact O-CG 3.43Å; V460-L464 PolarHBondContact O-N 3.13Å
461K94.8Very high93.1Very high149 Ų14960.8 Ų60.865%0.64832%0.318SS*.Hα-helixtrans-52.2-45.1174.7-170.2174.3179.8173.20112.6Y367 A457 L464 G465Y367-K461 WeakPolarHBondContact OH-CB 3.21Å; A457-K461 PolarHBondContact O-N 3.23Å; K461-L464 PolarHBondContact O-N 3.48Å; K461-G465 PolarHBondContact O-N 3.05Å
462K94.8Very high93Very high126 Ų12661.9 Ų61.955%0.54832%0.323SS..Hα-helixtrans-66.7-41.4178.4-76177.7179.8-176.80112.4Q458 T459 V460 L464 G465 L472Q458-K462 WeakPolarHBondContact O-CG 3.46Å; Q458-K462 PolarHBondContact O-N 2.93Å; Q458-K462 VanDerWaalsContact O-N 3.13Å; T459-K462 PolarHBondContact O-N 3.47Å; V460-K462 VanDerWaalsContact C-N 3.28Å; V460-K462 PolarHBondContact O-N 2.79Å; K462-L464 VanDerWaalsContact C-N 3.26Å; K462-L464 PolarHBondContact O-N 3.03Å; K462-G465 PolarHBondContact O-N 2.92Å; K462-G465 VanDerWaalsContact O-N 3.13Å; K462-L472 HydrophobicContact CB-CD1 3.67Å
463G95.6Very high92.9Very high0 Ų062.2 Ų62.20%033%0.325CS..Hα-helixtrans-67.8-25.5178.900000114.1R378 T459 V460R378-G463 PolarHBondContact NH1-O 3.11Å; T459-G463 PolarHBondContact O-N 2.9Å; V460-G463 PolarHBondContact O-N 3.33Å; V460-G463 VanDerWaalsContact O-N 3.09Å
464L95.1Very high92.8Very high37 Ų3762.4 Ų62.419%0.19433%0.326CS..Hα-helixtrans-80.8-15.2172.8-68.4172.2000113.7Q371 E374 F375 R378 V460 K461 K462Q371-L464 HydrophobicContact CB-CD1 3.91Å; Q371-L464 WeakPolarHBondContact O-CD2 3.48Å; E374-L464 HydrophobicContact CB-CD2 4.22Å; E374-L464 HydrophobicContact CG-CD2 3.96Å; F375-L464 HydrophobicContact CB-CD2 3.95Å; F375-L464 HydrophobicContact CB-CG 4.36Å; F375-L464 HydrophobicContact CD2-CG 4.45Å; R378-L464 PolarHBondContact NH1-O 2.9Å; V460-L464 HydrophobicContact CG1-CD1 4.04Å; V460-L464 WeakPolarHBondContact O-CG 3.43Å; V460-L464 PolarHBondContact O-N 3.13Å; K461-L464 PolarHBondContact O-N 3.48Å; K462-L464 VanDerWaalsContact C-N 3.26Å; K462-L464 PolarHBondContact O-N 3.03Å
465G93.6Very high92.7Very high28 Ų2864 Ų6429%0.28933%0.332SS..SBendtrans-72.7-173.8173.200000113.2R378 K461 K462 T469R378-G465 PolarHBondContact NH1-O 3.25Å; K461-G465 PolarHBondContact O-N 3.05Å; K462-G465 PolarHBondContact O-N 2.92Å; K462-G465 VanDerWaalsContact O-N 3.13Å; G465-T469 WeakPolarHBondContact O-CG2 3.42Å
466N86.5Confident92.7Very high137 Ų13764.1 Ų64.173%0.73333%0.333SS*.SBendtrans-103.9-15.3-178.1-65-20.5000113.9
467F83.1Confident92.9Very high192 Ų19257.2 Ų57.284%0.84231%0.307SS*.SBendtrans-112.8133.3-172.8-64.2-80.7000112.2T469F467-T469 PolarHBondContact O-N 3.21Å
468G80.5Confident93Very high60 Ų6056.7 Ų56.762%0.61930%0.302SS*.SBendtrans68.516.9173.300000115.2L472G468-L472 PolarHBondContact O-N 2.96Å
469T90.9Very high93.3Very high31 Ų3153.8 Ų53.819%0.1929%0.288CS..Hα-helixtrans-68.2-40.1-177.150.60000112.5G465 F467 T471 L472 F473G465-T469 WeakPolarHBondContact O-CG2 3.42Å; F467-T469 PolarHBondContact O-N 3.21Å; T469-T471 PolarHBondContact O-N 3.4Å; T469-L472 WeakPolarHBondContact O-CB 3.49Å; T469-L472 PolarHBondContact O-N 3.35Å; T469-L472 VanDerWaalsContact O-N 3.1Å; T469-F473 HydrophobicContact CG2-CE2 4.49Å; T469-F473 WeakPolarHBondContact O-CD2 3.38Å; T469-F473 PolarHBondContact O-N 3.48Å
470D91.5Very high93.4Very high78 Ų7851.9 Ų51.942%0.41728%0.276SS..Hα-helixtrans-60.6-46.3-177.5-172.374.9000112.5K382 L472 F473 L474K382-D470 WeakPolarHBondContact CE-OD1 3.49Å; K382-D470 IonicContact NZ-OD1 2.7Å; K382-D470 PolarHBondContact NZ-OD1 3.04Å; K382-D470 IonicContact NZ-OD2 3.81Å; K382-D470 PolarHBondContact NZ-OD2 3.06Å; D470-L472 VanDerWaalsContact C-N 3.28Å; D470-L472 PolarHBondContact O-N 2.89Å; D470-F473 PolarHBondContact O-N 3.15Å; D470-L474 WeakPolarHBondContact O-CB 3.49Å; D470-L474 PolarHBondContact O-N 3.47Å
471T91.4Very high93.6Very high84 Ų8451.9 Ų51.952%0.51528%0.276SS..Hα-helixtrans-62-37.5175.6-50.20000111.5T469 Q475T469-T471 PolarHBondContact O-N 3.4Å; T471-Q475 HydrophobicContact CG2-CG 4.44Å; T471-Q475 WeakPolarHBondContact O-CB 3.36Å; T471-Q475 WeakPolarHBondContact O-CG 3.49Å; T471-Q475 PolarHBondContact O-N 3.29Å
472L95.2Very high93.7Very high26 Ų2644.8 Ų44.814%0.13625%0.245CC..Hα-helixtrans-62.7-52.3175.9179.9157.9000110.8F375 T459 K462 G468 T469 D470 L474 Q475 V476F375-L472 HydrophobicContact CE2-CD2 4.27Å; F375-L472 HydrophobicContact CZ-CD2 4.29Å; T459-L472 HydrophobicContact CG2-CD1 3.87Å; T459-L472 HydrophobicContact CG2-CD2 4.22Å; T459-L472 HydrophobicContact CG2-CG 4.12Å; T459-L472 WeakPolarHBondContact O-CD1 3.4Å; K462-L472 HydrophobicContact CB-CD1 3.67Å; G468-L472 PolarHBondContact O-N 2.96Å; T469-L472 WeakPolarHBondContact O-CB 3.49Å; T469-L472 PolarHBondContact O-N 3.35Å; T469-L472 VanDerWaalsContact O-N 3.1Å; D470-L472 VanDerWaalsContact C-N 3.28Å; D470-L472 PolarHBondContact O-N 2.89Å; L472-L474 VanDerWaalsContact C-N 3.32Å; L472-L474 PolarHBondContact O-N 2.58Å; L472-Q475 PolarHBondContact O-N 3.48Å; L472-V476 HydrophobicContact CD2-CG2 4.18Å; L472-V476 WeakPolarHBondContact O-CG2 3.37Å; L472-V476 PolarHBondContact O-N 2.95Å
473F96.3Very high93.8Very high9 Ų939.1 Ų39.14%0.03922%0.22CC..Hα-helixtrans-64.6-36.8-179-67.8-61.6000111.8F375 R378 L379 K382 T469 D470 V476 M477F375-F473 HydrophobicContact CD1-CE1 4.4Å; F375-F473 HydrophobicContact CD2-CE1 4.02Å; F375-F473 HydrophobicContact CD2-CZ 4.17Å; F375-F473 HydrophobicContact CE1-CE1 4.11Å; F375-F473 AromaticContact CE2-CE1 3.7Å; F375-F473 HydrophobicContact CE2-CE1 3.7Å; F375-F473 HydrophobicContact CE2-CZ 4.12Å; F375-F473 HydrophobicContact CG-CE1 4.36Å; F375-F473 HydrophobicContact CZ-CD1 4.44Å; F375-F473 AromaticContact CZ-CE1 3.75Å; F375-F473 HydrophobicContact CZ-CE1 3.75Å; R378-F473 HydrophobicContact CB-CD2 4.34Å; R378-F473 HydrophobicContact CB-CE1 4Å; R378-F473 HydrophobicContact CB-CE2 3.6Å; R378-F473 HydrophobicContact CB-CZ 3.41Å; R378-F473 VanDerWaalsContact CB-CZ 3.41Å; R378-F473 HydrophobicContact CG-CE2 4.37Å; R378-F473 HydrophobicContact CG-CZ 4.29Å; L379-F473 HydrophobicContact CB-CD1 3.95Å; L379-F473 HydrophobicContact CB-CE1 4.1Å; L379-F473 HydrophobicContact CD1-CD1 3.77Å; L379-F473 HydrophobicContact CG-CD1 4.5Å; K382-F473 HydrophobicContact CB-CB 3.79Å; K382-F473 HydrophobicContact CG-CB 3.75Å; T469-F473 HydrophobicContact CG2-CE2 4.49Å; T469-F473 WeakPolarHBondContact O-CD2 3.38Å; T469-F473 PolarHBondContact O-N 3.48Å; D470-F473 PolarHBondContact O-N 3.15Å; F473-V476 PolarHBondContact O-N 3.15Å; F473-M477 WeakPolarHBondContact O-CB 3.45Å; F473-M477 WeakPolarHBondContact O-CG 3.36Å; F473-M477 PolarHBondContact O-N 2.62Å
474L95.5Very high93.8Very high15 Ų1540 Ų408%0.07923%0.225CC..Hα-helixtrans-55.3-53.3170.9174.162.1000111.1M345 M386 D470 L472 V476 M477 L478M345-L474 HydrophobicContact CG-CD1 3.98Å; M345-L474 HydrophobicContact SD-CD1 3.59Å; M345-L474 VanDerWaalsContact SD-CD1 3.59Å; M386-L474 HydrophobicContact CE-CD1 3.78Å; M386-L474 HydrophobicContact SD-CD1 3.68Å; D470-L474 WeakPolarHBondContact O-CB 3.49Å; D470-L474 PolarHBondContact O-N 3.47Å; L472-L474 VanDerWaalsContact C-N 3.32Å; L472-L474 PolarHBondContact O-N 2.58Å; L474-V476 VanDerWaalsContact C-N 3.29Å; L474-V476 PolarHBondContact O-N 2.83Å; L474-M477 PolarHBondContact O-N 3.41Å; L474-M477 VanDerWaalsContact O-N 3.15Å; L474-L478 HydrophobicContact CD1-CD1 4.21Å; L474-L478 HydrophobicContact CD1-CD2 4.4Å; L474-L478 HydrophobicContact CD1-CG 4.08Å; L474-L478 HydrophobicContact CG-CD1 4.19Å; L474-L478 HydrophobicContact CG-CG 4.46Å; L474-L478 VanDerWaalsContact O-CG 3.32Å; L474-L478 WeakPolarHBondContact O-CG 3.39Å; L474-L478 PolarHBondContact O-N 2.77Å
475Q95.3Very high93.8Very high56 Ų5638.8 Ų38.826%0.26222%0.222SC..Hα-helixtrans-65.4-32-177.3-66.7-71.6-38.500112.8T471 L472 R719T471-Q475 HydrophobicContact CG2-CG 4.44Å; T471-Q475 WeakPolarHBondContact O-CB 3.36Å; T471-Q475 WeakPolarHBondContact O-CG 3.49Å; T471-Q475 PolarHBondContact O-N 3.29Å; L472-Q475 PolarHBondContact O-N 3.48Å; Q475-R719 PolarHBondContact OE1-O 2.93Å
476V97Very high93.9Very high10 Ų1037.5 Ų37.56%0.06121%0.208CC..Hα-helixtrans-69-48171.7176.20000110L379 L455 L472 F473 L474 L478 K479 V480L379-V476 HydrophobicContact CD1-CB 3.98Å; L379-V476 HydrophobicContact CD1-CG1 3.64Å; L379-V476 HydrophobicContact CD2-CG1 4.35Å; L455-V476 HydrophobicContact CD2-CG1 4.2Å; L455-V476 HydrophobicContact CD2-CG2 3.8Å; L472-V476 HydrophobicContact CD2-CG2 4.18Å; L472-V476 WeakPolarHBondContact O-CG2 3.37Å; L472-V476 PolarHBondContact O-N 2.95Å; F473-V476 PolarHBondContact O-N 3.15Å; L474-V476 VanDerWaalsContact C-N 3.29Å; L474-V476 PolarHBondContact O-N 2.83Å; V476-L478 PolarHBondContact O-N 2.88Å; V476-K479 WeakPolarHBondContact O-CB 3.38Å; V476-K479 PolarHBondContact O-N 3.49Å; V476-K479 VanDerWaalsContact O-N 3.15Å; V476-V480 HydrophobicContact CG1-CG2 4.17Å; V476-V480 WeakPolarHBondContact O-CG2 3.48Å; V476-V480 PolarHBondContact O-N 2.76Å
477M97.2Very high94.4Very high0 Ų031 Ų310%017%0.173CC..Hα-helixtrans-69.4-32.4-176.1-77-49.2-50.600114.3L379 K382 A383 M386 V388 M390 F473 L474 K479 V480 N481L379-M477 HydrophobicContact CD1-CG 3.71Å; L379-M477 HydrophobicContact CD1-SD 3.62Å; L379-M477 HydrophobicContact CD2-SD 4.5Å; L379-M477 HydrophobicContact CG-CG 4.44Å; L379-M477 HydrophobicContact CG-SD 3.85Å; K382-M477 HydrophobicContact CB-CG 4.41Å; K382-M477 HydrophobicContact CG-CG 4.32Å; A383-M477 HydrophobicContact CB-CE 3.45Å; A383-M477 VanDerWaalsContact CB-CE 3.45Å; A383-M477 HydrophobicContact CB-CG 4.34Å; A383-M477 HydrophobicContact CB-SD 3.88Å; M386-M477 HydrophobicContact CE-CB 3.95Å; M386-M477 HydrophobicContact SD-CB 3.47Å; M386-M477 WeakPolarHBondContact SD-CB 3.46Å; M386-M477 HydrophobicContact SD-CG 4.32Å; V388-M477 HydrophobicContact CB-CE 4.04Å; V388-M477 HydrophobicContact CG1-CE 3.83Å; V388-M477 HydrophobicContact CG2-CE 4.19Å; M390-M477 HydrophobicContact SD-CE 4.36Å; M390-M477 HydrophobicContact SD-SD 4.44Å; F473-M477 WeakPolarHBondContact O-CB 3.45Å; F473-M477 WeakPolarHBondContact O-CG 3.36Å; F473-M477 PolarHBondContact O-N 2.62Å; L474-M477 PolarHBondContact O-N 3.41Å; L474-M477 VanDerWaalsContact O-N 3.15Å; M477-K479 PolarHBondContact O-N 2.86Å; M477-V480 HydrophobicContact CE-CB 3.92Å; M477-V480 HydrophobicContact CE-CG1 3.87Å; M477-V480 PolarHBondContact O-N 3.01Å; M477-V480 HydrophobicContact SD-CB 4.13Å; M477-V480 HydrophobicContact SD-CG1 4.35Å; M477-V480 HydrophobicContact SD-CG2 4.38Å; M477-N481 WeakPolarHBondContact O-CB 3.32Å; M477-N481 PolarHBondContact O-N 2.8Å
478L97.3Very high95Very high1 Ų121.8 Ų21.81%0.00513%0.133CC..Hα-helixtrans-56.2-41.8170.7-71.8172.9000110.9M345 M386 L474 V476 A482 N488M345-L478 HydrophobicContact SD-CD2 4.06Å; M386-L478 HydrophobicContact CE-CD2 3.77Å; M386-L478 HydrophobicContact CE-CG 4.07Å; L474-L478 HydrophobicContact CD1-CD1 4.21Å; L474-L478 HydrophobicContact CD1-CD2 4.4Å; L474-L478 HydrophobicContact CD1-CG 4.08Å; L474-L478 HydrophobicContact CG-CD1 4.19Å; L474-L478 HydrophobicContact CG-CG 4.46Å; L474-L478 VanDerWaalsContact O-CG 3.32Å; L474-L478 WeakPolarHBondContact O-CG 3.39Å; L474-L478 PolarHBondContact O-N 2.77Å; V476-L478 PolarHBondContact O-N 2.88Å; L478-A482 WeakPolarHBondContact O-CB 3.14Å; L478-A482 PolarHBondContact O-N 3.29Å; L478-A482 VanDerWaalsContact O-N 3.11Å; L478-N488 WeakPolarHBondContact CA-ND2 3.4Å; L478-N488 HydrophobicContact CD2-CB 3.73Å; L478-N488 VanDerWaalsContact CD2-CG 3.45Å; L478-N488 PolarHBondContact O-ND2 3.22Å
479K97.5Very high95.7Very high49 Ų4919 Ų1921%0.21310%0.104CC..Hα-helixtrans-71.7-44.8176.7-63.1177.1179.6166.30112.1V476 M477 N481 A482 K483 R719 A786V476-K479 WeakPolarHBondContact O-CB 3.38Å; V476-K479 PolarHBondContact O-N 3.49Å; V476-K479 VanDerWaalsContact O-N 3.15Å; M477-K479 PolarHBondContact O-N 2.86Å; K479-N481 VanDerWaalsContact C-N 3.3Å; K479-N481 PolarHBondContact O-N 2.8Å; K479-A482 PolarHBondContact O-N 2.94Å; K479-K483 VanDerWaalsContact O-CB 3.26Å; K479-K483 WeakPolarHBondContact O-CB 3.49Å; K479-K483 WeakPolarHBondContact O-CG 3.47Å; K479-K483 PolarHBondContact O-N 2.94Å; K479-R719 HydrophobicContact CG-CG 4.38Å; K479-A786 WeakPolarHBondContact CD-OXT 3.35Å; K479-A786 WeakPolarHBondContact CE-OXT 3.49Å; K479-A786 WeakPolarHBondContact CG-OXT 3.37Å
480V98Very high95.8Very high1 Ų118.1 Ų18.11%0.00610%0.098CC..Hα-helixtrans-59.8-43.9178.91730000110.3V356 F423 Q453 V476 M477 N484V356-V480 HydrophobicContact CG2-CG1 4.41Å; F423-V480 HydrophobicContact CE1-CG1 4.16Å; F423-V480 HydrophobicContact CZ-CG1 4.02Å; F423-V480 HydrophobicContact CZ-CG2 3.86Å; Q453-V480 HydrophobicContact CB-CG2 4.36Å; Q453-V480 HydrophobicContact CG-CG2 4.14Å; V476-V480 HydrophobicContact CG1-CG2 4.17Å; V476-V480 WeakPolarHBondContact O-CG2 3.48Å; V476-V480 PolarHBondContact O-N 2.76Å; M477-V480 HydrophobicContact CE-CB 3.92Å; M477-V480 HydrophobicContact CE-CG1 3.87Å; M477-V480 PolarHBondContact O-N 3.01Å; M477-V480 HydrophobicContact SD-CB 4.13Å; M477-V480 HydrophobicContact SD-CG1 4.35Å; M477-V480 HydrophobicContact SD-CG2 4.38Å; V480-N484 PolarHBondContact O-N 3.19Å; V480-N484 VanDerWaalsContact O-N 3.17Å; V480-N484 PolarHBondContact O-ND2 2.73Å
481N97.9Very high95.8Very high0 Ų014.6 Ų14.60%08%0.079CC..Hα-helixtrans-61.1-54.5176.4-169.353000111.2L352 A354 V388 M477 K479 K483 N484 G485 G486 N488L352-N481 PolarHBondContact O-ND2 2.76Å; L352-N481 VanDerWaalsContact O-ND2 3.12Å; A354-N481 WeakPolarHBondContact CB-OD1 3.2Å; A354-N481 PolarHBondContact N-OD1 3.44Å; V388-N481 HydrophobicContact CG2-CB 3.94Å; M477-N481 WeakPolarHBondContact O-CB 3.32Å; M477-N481 PolarHBondContact O-N 2.8Å; K479-N481 VanDerWaalsContact C-N 3.3Å; K479-N481 PolarHBondContact O-N 2.8Å; N481-K483 VanDerWaalsContact C-N 3.31Å; N481-K483 PolarHBondContact O-N 2.95Å; N481-N484 PolarHBondContact O-N 3.03Å; N481-N484 VanDerWaalsContact O-N 3.12Å; N481-G485 PolarHBondContact O-N 2.93Å; N481-G486 WeakPolarHBondContact O-CA 3.45Å; N481-G486 PolarHBondContact O-N 2.69Å; N481-N488 WeakPolarHBondContact CB-OD1 3.34Å; N481-N488 PolarHBondContact ND2-OD1 3.46Å
482A97Very high95.6Very high0 Ų012 Ų120%06%0.062CC..Hα-helixtrans-56.2-43.1179.700000112.9L478 K479 N484 G485 G486 Q718 M783 A786L478-A482 WeakPolarHBondContact O-CB 3.14Å; L478-A482 PolarHBondContact O-N 3.29Å; L478-A482 VanDerWaalsContact O-N 3.11Å; K479-A482 PolarHBondContact O-N 2.94Å; A482-N484 VanDerWaalsContact C-N 3.3Å; A482-N484 PolarHBondContact O-N 2.92Å; A482-G485 PolarHBondContact O-N 2.94Å; A482-G486 WeakPolarHBondContact CA-O 3.49Å; A482-Q718 HydrophobicContact CB-CB 4.3Å; A482-M783 HydrophobicContact CB-CB 4.36Å; A482-M783 HydrophobicContact CB-CE 3.75Å; A482-A786 HydrophobicContact CB-CB 3.91Å
483K97.3Very high94.8Very high7 Ų713.4 Ų13.43%0.037%0.074CC..Hα-helixtrans-65.9-30.4179.7-76.6-175.8171.1156.60114T451 K479 N481 G485 Q782 V784 A786T451-K483 HydrophobicContact CG2-CB 3.7Å; K479-K483 VanDerWaalsContact O-CB 3.26Å; K479-K483 WeakPolarHBondContact O-CB 3.49Å; K479-K483 WeakPolarHBondContact O-CG 3.47Å; K479-K483 PolarHBondContact O-N 2.94Å; N481-K483 VanDerWaalsContact C-N 3.31Å; N481-K483 PolarHBondContact O-N 2.95Å; K483-G485 VanDerWaalsContact C-N 3.31Å; K483-Q782 WeakPolarHBondContact O-CB 3.24Å; K483-Q782 PolarHBondContact O-OE1 3.35Å; K483-V784 VanDerWaalsContact CE-O 3.31Å; K483-V784 WeakPolarHBondContact CE-O 3.17Å; K483-A786 WeakPolarHBondContact CE-O 3.41Å; K483-A786 HydrophobicContact CG-CB 4.25Å; K483-A786 PolarHBondContact NZ-O 3.01Å
484N96.6Very high94.1Very high19 Ų1917.9 Ų17.910%0.10210%0.098CC..THydrogen-bonded Turntrans-98.825.2-178.8-68.2-79.8000111.6A354 V356 V480 N481 A482A354-N484 HydrophobicContact CB-CB 3.62Å; A354-N484 VanDerWaalsContact CB-O 3.24Å; A354-N484 WeakPolarHBondContact CB-O 3.47Å; V356-N484 HydrophobicContact CG2-CB 3.76Å; V480-N484 PolarHBondContact O-N 3.19Å; V480-N484 VanDerWaalsContact O-N 3.17Å; V480-N484 PolarHBondContact O-ND2 2.73Å; N481-N484 PolarHBondContact O-N 3.03Å; N481-N484 VanDerWaalsContact O-N 3.12Å; A482-N484 VanDerWaalsContact C-N 3.3Å; A482-N484 PolarHBondContact O-N 2.92Å
485G94.5Very high93.7Very high12 Ų1218.5 Ų18.512%0.12410%0.104CC..THydrogen-bonded Turntrans78.821.917600000114.5N481 A482 K483 R544N481-G485 PolarHBondContact O-N 2.93Å; A482-G485 PolarHBondContact O-N 2.94Å; K483-G485 VanDerWaalsContact C-N 3.31Å; G485-R544 PolarHBondContact O-NH1 3.29Å; G485-R544 PolarHBondContact O-NH2 2.93Å
486G96.2Very high93.5Very high0 Ų020.9 Ų20.90%012%0.124CC..  trans-87.6165.4166.300000112.2L352 N481 A482 M783L352-G486 CarbonylContact O-C 3.53Å; L352-G486 WeakPolarHBondContact O-CA 3.44Å; N481-G486 WeakPolarHBondContact O-CA 3.45Å; N481-G486 PolarHBondContact O-N 2.69Å; A482-G486 WeakPolarHBondContact CA-O 3.49Å; G486-M783 WeakPolarHBondContact O-CE 3.32Å
487V96.3Very high93.3Very high0 Ų022.2 Ų22.20%013%0.131CC..BIsolated β-bridgetrans-127.7125.2170.9-179.50000106.9F351 L352 N489 D548F351-V487 HydrophobicContact CD1-CB 4.38Å; F351-V487 HydrophobicContact CD1-CG1 4.25Å; F351-V487 PolarHBondContact N-O 3.34Å; L352-V487 HydrophobicContact CB-CB 4.03Å; L352-V487 HydrophobicContact CB-CG2 4.38Å; L352-V487 HydrophobicContact CD1-CB 4.32Å; L352-V487 HydrophobicContact CD1-CG2 4.04Å; L352-V487 HydrophobicContact CG-CB 4.43Å; L352-V487 PolarHBondContact N-O 3.35Å; L352-V487 PolarHBondContact O-N 2.9Å; L352-V487 VanDerWaalsContact O-O 3.07Å; V487-N489 WeakPolarHBondContact CG1-O 3.32Å; V487-D548 HydrophobicContact CG2-CB 3.98Å
488N96.1Very high92.9Very high0 Ų022.3 Ų22.30%013%0.131CC..  trans-77.9-43.8-170.3-67-37.3000112.2Y326 V350 F351 L478 N481 Q718Y326-N488 WeakPolarHBondContact CD1-O 3.31Å; Y326-N488 WeakPolarHBondContact CE1-O 3.21Å; V350-N488 WeakPolarHBondContact CA-O 3.48Å; F351-N488 PolarHBondContact N-O 3.45Å; L478-N488 WeakPolarHBondContact CA-ND2 3.4Å; L478-N488 HydrophobicContact CD2-CB 3.73Å; L478-N488 VanDerWaalsContact CD2-CG 3.45Å; L478-N488 PolarHBondContact O-ND2 3.22Å; N481-N488 WeakPolarHBondContact CB-OD1 3.34Å; N481-N488 PolarHBondContact ND2-OD1 3.46Å; N488-Q718 PolarHBondContact ND2-O 3.06Å
489N94.8Very high92.6Very high1 Ų128 Ų281%0.00516%0.158CC..  trans-153.9163.6178.859.168.1000110.4V324 L325 Y326 V487 Q715 Q718V324-N489 HydrophobicContact CB-CB 4.44Å; L325-N489 VanDerWaalsContact O-CA 3.31Å; L325-N489 WeakPolarHBondContact O-CA 3.43Å; Y326-N489 HydrophobicContact CE1-CB 4.09Å; Y326-N489 HydrophobicContact CE2-CB 4.24Å; V487-N489 WeakPolarHBondContact CG1-O 3.32Å; N489-Q715 PolarHBondContact OD1-O 3.13Å; N489-Q718 PolarHBondContact O-NE2 2.93Å
490E93.4Very high92.4Very high12 Ų1230.8 Ų30.86%0.05617%0.167CC..EExtended strand (participates in β ladder)trans-125.2167.4170.6-74.5-68.4178.300110.7V324 L325 F351 T545 F546 S547V324-E490 CarbonylContact C-O 3.54Å; V324-E490 WeakPolarHBondContact CA-O 3.48Å; V324-E490 WeakPolarHBondContact CB-O 3.48Å; L325-E490 HydrophobicContact CB-CB 4.35Å; L325-E490 PolarHBondContact N-O 3.38Å; L325-E490 PolarHBondContact O-N 3.32Å; F351-E490 HydrophobicContact CD1-CG 3.58Å; F351-E490 HydrophobicContact CD2-CB 4.35Å; F351-E490 HydrophobicContact CD2-CG 4.13Å; F351-E490 HydrophobicContact CE1-CG 3.55Å; F351-E490 HydrophobicContact CE2-CB 4.34Å; F351-E490 HydrophobicContact CE2-CG 4.08Å; F351-E490 HydrophobicContact CG-CB 4.49Å; F351-E490 HydrophobicContact CG-CG 3.9Å; F351-E490 HydrophobicContact CZ-CB 4.48Å; F351-E490 HydrophobicContact CZ-CG 3.81Å; E490-T545 WeakPolarHBondContact OE1-CB 3.19Å; E490-T545 PolarHBondContact OE1-OG1 3.46Å; E490-F546 PolarHBondContact OE1-N 3.31Å; E490-S547 VanDerWaalsContact CD-OG 3.3Å; E490-S547 WeakPolarHBondContact OE1-CB 3.48Å; E490-S547 PolarHBondContact OE1-N 2.97Å; E490-S547 VanDerWaalsContact OE2-CB 3.26Å; E490-S547 WeakPolarHBondContact OE2-CB 3.4Å; E490-S547 PolarHBondContact OE2-N 3.44Å; E490-S547 VanDerWaalsContact OE2-N 3.14Å; E490-S547 PolarHBondContact OE2-OG 2.84Å
491V91.5Very high92.2Very high5 Ų531 Ų313%0.0317%0.168CC..EExtended strand (participates in β ladder)trans-78.5139.3169.4-175.40000109.4T498 I502 L712 T716V491-T498 HydrophobicContact CG1-CG2 4.1Å; V491-I502 HydrophobicContact CB-CG2 4.36Å; V491-L712 HydrophobicContact CG1-CB 4.31Å; V491-L712 HydrophobicContact CG1-CD2 3.51Å; V491-L712 HydrophobicContact CG1-CG 4.35Å; V491-T716 HydrophobicContact CG2-CG2 3.24Å
492N87.3Confident92Very high28 Ų2831.7 Ų31.715%0.1517%0.171CC..  trans-67.5136.9172.8-161.310.4000111.1S323 L325 S335 D494 T498S323-N492 WeakPolarHBondContact O-CB 3.45Å; S323-N492 PolarHBondContact O-N 2.81Å; L325-N492 HydrophobicContact CD1-CB 4.37Å; L325-N492 HydrophobicContact CD2-CB 4.26Å; L325-N492 WeakPolarHBondContact CD2-OD1 3.39Å; L325-N492 HydrophobicContact CG-CB 3.94Å; S335-N492 PolarHBondContact OG-ND2 2.91Å; N492-D494 PolarHBondContact ND2-OD2 2.76Å; N492-T498 VanDerWaalsContact O-CG2 3.32Å; N492-T498 WeakPolarHBondContact O-CG2 3.22Å
493S77.2Confident91.6Very high57 Ų5738.2 Ų38.240%0.39920%0.196SC..  trans-103.154.8-178-59.70000111.2T498S493-T498 WeakPolarHBondContact CA-OG1 3.15Å
494D82.7Confident91.3Very high102 Ų10246 Ų4655%0.54523%0.23SC..  trans-111.79-17459.7-11.8000113.8N492 T498N492-D494 PolarHBondContact ND2-OD2 2.76Å; D494-T498 PolarHBondContact N-OG1 3.33Å
495S87Confident91.2Very high29 Ų2945.8 Ų45.820%0.20323%0.232CC..SBendtrans-123.8154.5175.675.90000112.3I497 T498 E499S495-I497 PolarHBondContact O-N 3.09Å; S495-I497 VanDerWaalsContact O-N 3.16Å; S495-T498 WeakPolarHBondContact CA-OG1 3.33Å; S495-T498 PolarHBondContact N-OG1 2.85Å; S495-T498 PolarHBondContact O-N 2.9Å; S495-T498 PolarHBondContact O-OG1 3.15Å; S495-T498 WeakPolarHBondContact OG-CG2 3.33Å; S495-T498 PolarHBondContact OG-N 3Å; S495-T498 VanDerWaalsContact OG-N 3.16Å; S495-T498 PolarHBondContact OG-OG1 3.35Å; S495-E499 WeakPolarHBondContact O-CG 3.5Å; S495-E499 PolarHBondContact O-N 3.2Å
496P91Very high91.2Very high105 Ų10545.2 Ų45.268%0.68223%0.226SC*.Hα-helixtrans-55.2-35175.2-27.435.1000113.6R500P496-R500 WeakPolarHBondContact O-CB 3.43Å; P496-R500 PolarHBondContact O-N 3.19Å; P496-R500 VanDerWaalsContact O-N 3.08Å
497I91.7Very high91.3Very high39 Ų3945.2 Ų45.220%0.223%0.226CC..Hα-helixtrans-67.5-45.1177.9-64.2175.7000110.1S495 R500 W501 M708 L712S495-I497 PolarHBondContact O-N 3.09Å; S495-I497 VanDerWaalsContact O-N 3.16Å; I497-R500 PolarHBondContact O-N 2.84Å; I497-W501 VanDerWaalsContact O-CD1 3.28Å; I497-W501 PolarHBondContact O-N 3.22Å; I497-M708 HydrophobicContact CD1-CB 3.7Å; I497-M708 HydrophobicContact CD1-CG 3.83Å; I497-M708 HydrophobicContact CG2-CB 4.18Å; I497-M708 HydrophobicContact CG2-CG 4.11Å; I497-L712 HydrophobicContact CG2-CD1 4.35Å
498T90.1Very high91.4Very high1 Ų145.2 Ų45.21%0.00623%0.226CC..Hα-helixtrans-67-40.7178.149.20000111.9V491 N492 S493 D494 S495 R500 W501 I502 L712V491-T498 HydrophobicContact CG1-CG2 4.1Å; N492-T498 VanDerWaalsContact O-CG2 3.32Å; N492-T498 WeakPolarHBondContact O-CG2 3.22Å; S493-T498 WeakPolarHBondContact CA-OG1 3.15Å; D494-T498 PolarHBondContact N-OG1 3.33Å; S495-T498 WeakPolarHBondContact CA-OG1 3.33Å; S495-T498 PolarHBondContact N-OG1 2.85Å; S495-T498 PolarHBondContact O-N 2.9Å; S495-T498 PolarHBondContact O-OG1 3.15Å; S495-T498 WeakPolarHBondContact OG-CG2 3.33Å; S495-T498 PolarHBondContact OG-N 3Å; S495-T498 VanDerWaalsContact OG-N 3.16Å; S495-T498 PolarHBondContact OG-OG1 3.35Å; T498-R500 VanDerWaalsContact C-N 3.26Å; T498-R500 PolarHBondContact O-N 3.45Å; T498-W501 PolarHBondContact O-N 2.88Å; T498-I502 HydrophobicContact CG2-CG1 4.06Å; T498-I502 CarbonylContact O-C 3.42Å; T498-I502 VanDerWaalsContact O-CA 3.3Å; T498-I502 WeakPolarHBondContact O-CA 3.34Å; T498-I502 VanDerWaalsContact O-CB 3.27Å; T498-I502 WeakPolarHBondContact O-CB 3.44Å; T498-I502 PolarHBondContact O-N 3.48Å; T498-L712 HydrophobicContact CG2-CD1 3.55Å; T498-L712 HydrophobicContact CG2-CD2 4.28Å
499E90.7Very high91.5Very high122 Ų12245.2 Ų45.257%0.5723%0.226SC*.Hα-helixtrans-61.8-35.3175.8-71.7176.3-177.500112.4S495 R503S495-E499 WeakPolarHBondContact O-CG 3.5Å; S495-E499 PolarHBondContact O-N 3.2Å; E499-R503 WeakPolarHBondContact O-CD 3.43Å
500R92.8Very high91.7Very high106 Ų10645.2 Ų45.240%0.423%0.226SC..Hα-helixtrans-77.3-42.1179.9-173.1171.7173.8179.2-6.2113P496 I497 T498 R503P496-R500 WeakPolarHBondContact O-CB 3.43Å; P496-R500 PolarHBondContact O-N 3.19Å; P496-R500 VanDerWaalsContact O-N 3.08Å; I497-R500 PolarHBondContact O-N 2.84Å; T498-R500 VanDerWaalsContact C-N 3.26Å; T498-R500 PolarHBondContact O-N 3.45Å; R500-R503 PolarHBondContact O-NE 3.13Å
501W94.4Very high91.9Very high7 Ų744.6 Ų44.63%0.02722%0.223CC..Hα-helixtrans-113.9-22.6-166.5-57.2115.8000114.9I497 T498 R503 I591 N699 F701 L709I497-W501 VanDerWaalsContact O-CD1 3.28Å; I497-W501 PolarHBondContact O-N 3.22Å; T498-W501 PolarHBondContact O-N 2.88Å; W501-R503 PolarHBondContact O-N 3.01Å; W501-I591 HydrophobicContact CE3-CD1 4.28Å; W501-N699 HydrophobicContact CH2-CB 3.81Å; W501-N699 HydrophobicContact CZ3-CB 4.02Å; W501-F701 AromaticContact CD1-CE1 3.96Å; W501-F701 AromaticContact CD2-CE1 3.46Å; W501-F701 HydrophobicContact CD2-CE1 3.46Å; W501-F701 VanDerWaalsContact CD2-CE1 3.46Å; W501-F701 AromaticContact CD2-CZ 3.5Å; W501-F701 HydrophobicContact CD2-CZ 3.5Å; W501-F701 VanDerWaalsContact CD2-CZ 3.5Å; W501-F701 AromaticContact CE2-CD1 3.82Å; W501-F701 AromaticContact CE2-CE1 3.15Å; W501-F701 AromaticContact CE2-CZ 3.56Å; W501-F701 AromaticContact CE3-CE1 3.94Å; W501-F701 HydrophobicContact CE3-CE1 3.94Å; W501-F701 HydrophobicContact CE3-CE2 4.28Å; W501-F701 AromaticContact CE3-CZ 3.45Å; W501-F701 HydrophobicContact CE3-CZ 3.45Å; W501-F701 VanDerWaalsContact CE3-CZ 3.45Å; W501-F701 AromaticContact CG-CE1 3.96Å; W501-F701 HydrophobicContact CG-CE1 3.96Å; W501-F701 HydrophobicContact CG-CZ 4.27Å; W501-F701 HydrophobicContact CH2-CD1 4.36Å; W501-F701 HydrophobicContact CH2-CD2 4.29Å; W501-F701 AromaticContact CH2-CE1 3.9Å; W501-F701 HydrophobicContact CH2-CE1 3.9Å; W501-F701 AromaticContact CH2-CE2 3.8Å; W501-F701 HydrophobicContact CH2-CE2 3.8Å; W501-F701 AromaticContact CH2-CZ 3.58Å; W501-F701 HydrophobicContact CH2-CZ 3.58Å; W501-F701 AromaticContact CZ2-CD1 3.72Å; W501-F701 HydrophobicContact CZ2-CD1 3.72Å; W501-F701 HydrophobicContact CZ2-CD2 4.41Å; W501-F701 AromaticContact CZ2-CE1 3.39Å; W501-F701 HydrophobicContact CZ2-CE1 3.39Å; W501-F701 HydrophobicContact CZ2-CE2 4.13Å; W501-F701 HydrophobicContact CZ2-CG 4.22Å; W501-F701 AromaticContact CZ2-CZ 3.6Å; W501-F701 HydrophobicContact CZ2-CZ 3.6Å; W501-F701 HydrophobicContact CZ3-CE1 4.14Å; W501-F701 AromaticContact CZ3-CE2 3.88Å; W501-F701 HydrophobicContact CZ3-CE2 3.88Å; W501-F701 AromaticContact CZ3-CZ 3.49Å; W501-F701 HydrophobicContact CZ3-CZ 3.49Å; W501-F701 VanDerWaalsContact CZ3-CZ 3.49Å; W501-F701 AromaticContact NE1-CE1 3.49Å; W501-L709 HydrophobicContact CB-CD1 3.94Å; W501-L709 HydrophobicContact CB-CD2 3.93Å; W501-L709 HydrophobicContact CB-CG 4.49Å; W501-L709 HydrophobicContact CG-CD2 4.1Å
502I92.4Very high92.1Very high13 Ų1345 Ų457%0.06723%0.225CC..SBendtrans-101.862.3178.2-47.5-66000108.6V491 T498 F546 L709V491-I502 HydrophobicContact CB-CG2 4.36Å; T498-I502 HydrophobicContact CG2-CG1 4.06Å; T498-I502 CarbonylContact O-C 3.42Å; T498-I502 VanDerWaalsContact O-CA 3.3Å; T498-I502 WeakPolarHBondContact O-CA 3.34Å; T498-I502 VanDerWaalsContact O-CB 3.27Å; T498-I502 WeakPolarHBondContact O-CB 3.44Å; T498-I502 PolarHBondContact O-N 3.48Å; I502-F546 HydrophobicContact CB-CD2 4.41Å; I502-F546 HydrophobicContact CB-CE2 4.13Å; I502-F546 HydrophobicContact CD1-CD2 4.46Å; I502-F546 HydrophobicContact CD1-CE1 3.91Å; I502-F546 HydrophobicContact CD1-CE2 3.47Å; I502-F546 VanDerWaalsContact CD1-CE2 3.47Å; I502-F546 HydrophobicContact CD1-CZ 3.18Å; I502-F546 HydrophobicContact CG1-CE2 4.36Å; I502-F546 HydrophobicContact CG1-CZ 4.38Å; I502-F546 HydrophobicContact CG2-CB 4.47Å; I502-F546 HydrophobicContact CG2-CD1 4.04Å; I502-F546 HydrophobicContact CG2-CD2 3.69Å; I502-F546 HydrophobicContact CG2-CE1 4.18Å; I502-F546 HydrophobicContact CG2-CE2 3.74Å; I502-F546 HydrophobicContact CG2-CG 3.82Å; I502-F546 HydrophobicContact CG2-CZ 4.05Å; I502-L709 HydrophobicContact CD1-CD1 3.56Å
503R90.3Very high92.5Very high138 Ų13844.1 Ų44.152%0.52122%0.221SC..SBendtrans-143167.5-177.163.8169178.3-165.96.3112.5E499 R500 W501 V506E499-R503 WeakPolarHBondContact O-CD 3.43Å; R500-R503 PolarHBondContact O-NE 3.13Å; W501-R503 PolarHBondContact O-N 3.01Å; R503-V506 HydrophobicContact CG-CG2 4.03Å; R503-V506 PolarHBondContact O-N 3.39Å
504K89.6Confident93.3Very high170 Ų17042.8 Ų42.874%0.73921%0.209SC*.THydrogen-bonded Turntrans-57.4142.7169.7-69.3-171176.9-175.90110.5
505G94.2Very high93.6Very high14 Ų1440.3 Ų40.314%0.14419%0.194CC..THydrogen-bonded Turntrans92.1-8.5-17600000114.5Y579 P587 T588 S589G505-Y579 WeakPolarHBondContact CA-OH 3.45Å; G505-Y579 PolarHBondContact N-OH 3.09Å; G505-P587 CarbonylContact O-C 3.54Å; G505-P587 VanDerWaalsContact O-CA 3.25Å; G505-P587 WeakPolarHBondContact O-CA 3.49Å; G505-P587 WeakPolarHBondContact O-CB 3.11Å; G505-T588 PolarHBondContact O-N 3.33Å; G505-T588 PolarHBondContact O-OG1 2.83Å; G505-S589 PolarHBondContact O-N 2.96Å
506V96.4Very high93.4Very high1 Ų139.2 Ų39.21%0.00619%0.187CC..EExtended strand (participates in β ladder)trans-101.9124.4172.4-171.80000109.9R503 F508 N541 S589 I591R503-V506 HydrophobicContact CG-CG2 4.03Å; R503-V506 PolarHBondContact O-N 3.39Å; V506-F508 HydrophobicContact CB-CE2 4.18Å; V506-F508 HydrophobicContact CG1-CD2 4.4Å; V506-F508 HydrophobicContact CG1-CE1 4.4Å; V506-F508 HydrophobicContact CG1-CE2 3.52Å; V506-F508 HydrophobicContact CG1-CZ 3.58Å; V506-N541 PolarHBondContact O-ND2 2.98Å; V506-N541 VanDerWaalsContact O-ND2 3.16Å; V506-S589 WeakPolarHBondContact CA-O 3.46Å; V506-I591 HydrophobicContact CG1-CD1 3.73Å; V506-I591 HydrophobicContact CG1-CG1 4.46Å
507M97.7Very high92.7Very high0 Ų038.3 Ų38.30%018%0.18CC..EExtended strand (participates in β ladder)trans-107.5125.7176.6178.1-175.8-87.100110.2L509 C540 N541 L576 Y579 P587 S589 V590 I591M507-L509 HydrophobicContact CG-CD2 4.14Å; M507-L509 HydrophobicContact CG-CG 4.11Å; M507-L509 HydrophobicContact SD-CD1 4.2Å; M507-L509 HydrophobicContact SD-CD2 3.91Å; M507-L509 HydrophobicContact SD-CG 4.03Å; M507-C540 VanDerWaalsContact CE-SG 3.56Å; M507-C540 VanDerWaalsContact CG-SG 3.54Å; M507-N541 WeakPolarHBondContact CA-OD1 3.26Å; M507-L576 HydrophobicContact CE-CD2 4.02Å; M507-L576 HydrophobicContact SD-CD2 4.43Å; M507-Y579 HydrophobicContact CB-CE2 4.23Å; M507-Y579 HydrophobicContact CE-CD2 3.53Å; M507-Y579 HydrophobicContact CE-CE2 4.39Å; M507-Y579 HydrophobicContact CE-CG 3.67Å; M507-P587 HydrophobicContact CB-CB 3.67Å; M507-P587 HydrophobicContact CB-CG 3.79Å; M507-P587 HydrophobicContact CE-CG 3.78Å; M507-P587 HydrophobicContact CG-CG 4.5Å; M507-P587 HydrophobicContact SD-CG 4.05Å; M507-S589 PolarHBondContact N-O 3.33Å; M507-V590 HydrophobicContact CB-CG2 4.33Å; M507-V590 WeakPolarHBondContact O-CA 3.42Å; M507-V590 HydrophobicContact SD-CG1 4.45Å; M507-V590 HydrophobicContact SD-CG2 4.41Å; M507-I591 PolarHBondContact O-N 2.76Å
508F98.2Very high91.7Very high0 Ų040.5 Ų40.50%020%0.197CC..EExtended strand (participates in β ladder)trans-101.6116.5171.5-63.8-83.1000109.5V506 C540 N541 F546 I591 Y593 L709 L713 P729V506-F508 HydrophobicContact CB-CE2 4.18Å; V506-F508 HydrophobicContact CG1-CD2 4.4Å; V506-F508 HydrophobicContact CG1-CE1 4.4Å; V506-F508 HydrophobicContact CG1-CE2 3.52Å; V506-F508 HydrophobicContact CG1-CZ 3.58Å; F508-C540 WeakPolarHBondContact O-CA 3.46Å; F508-N541 PolarHBondContact N-OD1 2.91Å; F508-N541 PolarHBondContact O-N 3.49Å; F508-F546 HydrophobicContact CD2-CD2 4.41Å; F508-F546 AromaticContact CD2-CE2 3.61Å; F508-F546 HydrophobicContact CD2-CE2 3.61Å; F508-F546 AromaticContact CD2-CZ 3.85Å; F508-F546 HydrophobicContact CD2-CZ 3.85Å; F508-F546 HydrophobicContact CE2-CD2 4.05Å; F508-F546 AromaticContact CE2-CE2 3.06Å; F508-F546 HydrophobicContact CE2-CE2 3.06Å; F508-F546 AromaticContact CE2-CZ 3.53Å; F508-F546 HydrophobicContact CE2-CZ 3.53Å; F508-F546 AromaticContact CZ-CE2 3.78Å; F508-F546 HydrophobicContact CZ-CE2 3.78Å; F508-F546 AromaticContact CZ-CZ 3.99Å; F508-F546 HydrophobicContact CZ-CZ 3.99Å; F508-I591 WeakPolarHBondContact CA-O 3.39Å; F508-I591 HydrophobicContact CD1-CB 4.09Å; F508-I591 HydrophobicContact CD1-CD1 4.34Å; F508-I591 HydrophobicContact CD1-CG2 4.38Å; F508-I591 HydrophobicContact CE1-CB 4.16Å; F508-I591 HydrophobicContact CE1-CD1 3.59Å; F508-I591 HydrophobicContact CE1-CG1 4.46Å; F508-I591 HydrophobicContact CE1-CG2 4.4Å; F508-I591 HydrophobicContact CZ-CD1 3.93Å; F508-Y593 HydrophobicContact CD1-CE2 4.1Å; F508-L709 HydrophobicContact CE1-CD1 3.93Å; F508-L709 HydrophobicContact CE1-CD2 3.95Å; F508-L709 HydrophobicContact CE1-CG 4.19Å; F508-L709 HydrophobicContact CZ-CD1 3.91Å; F508-L709 HydrophobicContact CZ-CD2 4.32Å; F508-L713 HydrophobicContact CD1-CD1 3.73Å; F508-L713 HydrophobicContact CD1-CD2 4.11Å; F508-L713 HydrophobicContact CE1-CD1 3.84Å; F508-L713 HydrophobicContact CE1-CD2 4.24Å; F508-L713 HydrophobicContact CE1-CG 4.48Å; F508-L713 HydrophobicContact CG-CD2 4.26Å; F508-P729 HydrophobicContact CB-CG 3.91Å
509L98.3Very high90.5Very high0 Ų042.3 Ų42.30%021%0.207CC..EExtended strand (participates in β ladder)trans-103.5140.5172.6-65.3177.5000109.9M507 F511 V539 C540 V572 F575 V590 I591 V592 Y593M507-L509 HydrophobicContact CG-CD2 4.14Å; M507-L509 HydrophobicContact CG-CG 4.11Å; M507-L509 HydrophobicContact SD-CD1 4.2Å; M507-L509 HydrophobicContact SD-CD2 3.91Å; M507-L509 HydrophobicContact SD-CG 4.03Å; L509-F511 HydrophobicContact CB-CE2 4.08Å; L509-F511 HydrophobicContact CD1-CE2 4.37Å; L509-V539 WeakPolarHBondContact CA-O 3.21Å; L509-C540 HydrophobicContact CD2-CB 3.61Å; L509-V572 HydrophobicContact CD1-CG2 4.49Å; L509-F575 HydrophobicContact CD2-CD2 3.79Å; L509-F575 HydrophobicContact CD2-CE2 4.32Å; L509-F575 HydrophobicContact CD2-CG 4.45Å; L509-V590 HydrophobicContact CD1-CG1 3.72Å; L509-V590 HydrophobicContact CG-CG1 4.2Å; L509-I591 PolarHBondContact N-O 3.38Å; L509-V592 HydrophobicContact CB-CB 4.48Å; L509-V592 HydrophobicContact CB-CG1 4.33Å; L509-V592 HydrophobicContact CB-CG2 4.14Å; L509-V592 HydrophobicContact CD1-CG2 4.2Å; L509-V592 CarbonylContact O-C 3.59Å; L509-V592 WeakPolarHBondContact O-CA 3.15Å; L509-Y593 PolarHBondContact O-N 3.08Å
510G98.2Very high89.2Confident0 Ų039.2 Ų39.20%020%0.198CC..EExtended strand (participates in β ladder)trans-124.4138.7169.500000110.3A538 V539 Y593 A733G510-A538 CarbonylContact O-C 3.56Å; G510-A538 WeakPolarHBondContact O-CA 3.33Å; G510-V539 PolarHBondContact N-O 2.72Å; G510-V539 PolarHBondContact O-N 3.01Å; G510-Y593 VanDerWaalsContact CA-O 3.3Å; G510-Y593 WeakPolarHBondContact CA-O 3.42Å; G510-A733 WeakPolarHBondContact O-CB 3.48Å
511F98.1Very high87.3Confident0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans-130.6137.1175-71.7-88.1000111.5L509 V536 G537 A538 I563 M568 I571 V572 V592 Y593 D595L509-F511 HydrophobicContact CB-CE2 4.08Å; L509-F511 HydrophobicContact CD1-CE2 4.37Å; F511-V536 HydrophobicContact CD1-CG1 4.31Å; F511-G537 WeakPolarHBondContact CA-O 3.49Å; F511-A538 HydrophobicContact CD1-CB 3.64Å; F511-A538 HydrophobicContact CE1-CB 3.51Å; F511-A538 HydrophobicContact CG-CB 4.47Å; F511-A538 HydrophobicContact CZ-CB 4.24Å; F511-I563 HydrophobicContact CB-CD1 3.94Å; F511-I563 HydrophobicContact CD1-CD1 3.75Å; F511-I563 HydrophobicContact CG-CD1 4.08Å; F511-M568 HydrophobicContact CD1-CE 4.22Å; F511-M568 HydrophobicContact CE1-CE 4.11Å; F511-M568 HydrophobicContact CG-CE 4.47Å; F511-M568 HydrophobicContact CZ-CE 4.27Å; F511-I571 HydrophobicContact CE1-CD1 4.48Å; F511-I571 HydrophobicContact CE1-CG2 3.98Å; F511-I571 HydrophobicContact CZ-CG2 4.23Å; F511-V572 HydrophobicContact CZ-CG2 4.08Å; F511-V592 HydrophobicContact CD2-CG1 3.81Å; F511-V592 HydrophobicContact CE2-CG1 4.1Å; F511-Y593 PolarHBondContact N-O 3.37Å; F511-D595 PolarHBondContact O-N 2.76Å
512D96.6Very high85.5Confident13 Ų1339.4 Ų39.47%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-138.6153.7171.9-178.934.7000109.8G537 D595 A733 H734D512-G537 PolarHBondContact N-O 2.77Å; D512-G537 PolarHBondContact O-N 2.77Å; D512-D595 HydrophobicContact CB-CB 4.24Å; D512-A733 HydrophobicContact CB-CB 4.08Å; D512-H734 VanDerWaalsContact OD2-CA 3.27Å; D512-H734 WeakPolarHBondContact OD2-CA 3.44Å; D512-H734 IonicContact OD2-CE1 3.89Å; D512-H734 IonicContact OD2-CG 3.36Å; D512-H734 IonicContact OD2-ND1 3.39Å; D512-H734 PolarHBondContact OD2-ND1 2.93Å
513V95.1Very high84Confident10 Ų1041.6 Ų41.66%0.06122%0.224CC..EExtended strand (participates in β ladder)trans-123.2115.9174.5-175.70000109.7H515 V535 V536 I563V513-H515 VanDerWaalsContact CG1-CE1 3.4Å; V513-H515 WeakPolarHBondContact CG1-CE1 3.46Å; V513-V535 WeakPolarHBondContact CA-O 3.47Å; V513-V536 HydrophobicContact CG2-CG2 4.49Å; V513-I563 HydrophobicContact CG2-CD1 4.34Å; V513-I563 HydrophobicContact CG2-CG1 3.87Å
514N93Very high82.6Confident29 Ų2939.5 Ų39.516%0.15522%0.222CC..EExtended strand (participates in β ladder)trans-94.1112.2176.1-168-51.8000110.2S534 V535 A737 T738 K741N514-S534 CarbonylContact O-C 3.52Å; N514-S534 WeakPolarHBondContact O-CA 3.42Å; N514-V535 PolarHBondContact N-O 2.98Å; N514-V535 PolarHBondContact O-N 3.02Å; N514-A737 HydrophobicContact CB-CB 3.69Å; N514-T738 PolarHBondContact ND2-OG1 2.98Å; N514-K741 WeakPolarHBondContact OD1-CD 3.35Å; N514-K741 PolarHBondContact OD1-NZ 3.3Å
515H89.6Confident80.7Confident50 Ų5036.2 Ų36.223%0.23121%0.211CC..PPolyproline II helixtrans-84.6151.2176.9-62.2-47.1000113.4V513 S534 R559 Q560 E561 K741V513-H515 VanDerWaalsContact CG1-CE1 3.4Å; V513-H515 WeakPolarHBondContact CG1-CE1 3.46Å; H515-S534 PolarHBondContact ND1-OG 2.86Å; H515-R559 WeakPolarHBondContact ND1-CA 3.48Å; H515-Q560 PolarHBondContact CE1-O 3.29Å; H515-Q560 VanDerWaalsContact CE1-O 3.24Å; H515-E561 IonicContact CD2-OE2 2.95Å; H515-E561 IonicContact CE1-OE2 3.81Å; H515-E561 IonicContact NE2-OE2 3.94Å; H515-E561 PolarHBondContact NE2-OE2 3.03Å; H515-K741 PolarHBondContact O-NZ 2.87Å
516P83.8Confident79.2Confident6 Ų641.9 Ų41.94%0.03923%0.233CC..PPolyproline II helixtrans-61.7155.4164.533.3-41.1000110.7E532 A558 R559P516-E532 HydrophobicContact CB-CB 3.67Å; P516-E532 VanDerWaalsContact CG-O 3.27Å; P516-E532 WeakPolarHBondContact CG-O 3.39Å; P516-A558 HydrophobicContact CG-CB 4.15Å; P516-R559 HydrophobicContact CG-CG 4.03Å
517P76.2Confident77.2Confident85 Ų8544.8 Ų44.855%0.55226%0.263SS*.PPolyproline II helixtrans-52.3143.8170.3-22.133.3000110.5L519P517-L519 PolarHBondContact O-N 2.77Å
518P69.6Low75.3Confident85 Ų8551.4 Ų51.455%0.55229%0.288SS*.PPolyproline II helixtrans-58.4136.3172.424.6-31.4000109.3S520P518-S520 PolarHBondContact O-N 2.77Å
519L65.8Low73.5Confident40 Ų4057.7 Ų57.721%0.20932%0.322CS..PPolyproline II helixtrans-52.9140171.7-74172.7000110.1P517 E523 I524 R528 P530P517-L519 PolarHBondContact O-N 2.77Å; L519-E523 HydrophobicContact CB-CB 4.38Å; L519-E523 HydrophobicContact CD2-CB 4.09Å; L519-I524 HydrophobicContact CB-CD1 4.19Å; L519-I524 HydrophobicContact CB-CG1 3.7Å; L519-I524 HydrophobicContact CD1-CG1 4.16Å; L519-R528 WeakPolarHBondContact CD1-O 3.3Å; L519-P530 HydrophobicContact CD1-CB 4.46Å; L519-P530 HydrophobicContact CD1-CG 3.85Å; L519-P530 HydrophobicContact CG-CB 4.32Å; L519-P530 HydrophobicContact CG-CG 4.12Å
520S62.3Low71.8Confident56 Ų5659.8 Ų59.839%0.39234%0.335SS..PPolyproline II helixtrans-65.1152.8170.573.40000109.8P518 A522 E523 I524P518-S520 PolarHBondContact O-N 2.77Å; S520-A522 PolarHBondContact O-N 2.89Å; S520-A522 VanDerWaalsContact O-N 3.13Å; S520-E523 WeakPolarHBondContact CA-OE2 3.42Å; S520-E523 VanDerWaalsContact CB-OE2 3.23Å; S520-E523 WeakPolarHBondContact CB-OE2 3.45Å; S520-E523 PolarHBondContact N-OE2 3.4Å; S520-E523 WeakPolarHBondContact O-CB 3.31Å; S520-E523 PolarHBondContact O-N 3.1Å; S520-E523 VanDerWaalsContact OG-CD 3.26Å; S520-E523 VanDerWaalsContact OG-CG 3.24Å; S520-E523 WeakPolarHBondContact OG-CG 3.18Å; S520-E523 PolarHBondContact OG-N 3.36Å; S520-E523 PolarHBondContact OG-OE2 3.24Å; S520-I524 PolarHBondContact O-N 3.19Å
521Q53.5Low70.4Confident60 Ų6064.8 Ų64.828%0.2836%0.358SS..Hα-helixtrans-52.1-37.5177.3-16296.971.100113T29 S30 M525T29-Q521 HydrophobicContact CG2-CG 3.25Å; S30-Q521 PolarHBondContact OG-NE2 3.19Å; Q521-M525 WeakPolarHBondContact O-CG 3.41Å; Q521-M525 PolarHBondContact O-N 3.25Å
522A56.8Low69.6Low58 Ų5866.9 Ų66.948%0.47937%0.368SS..Hα-helixtrans-68.1-37.1178.500000111.9S520 Q526S520-A522 PolarHBondContact O-N 2.89Å; S520-A522 VanDerWaalsContact O-N 3.13Å; A522-Q526 VanDerWaalsContact O-CG 3.28Å; A522-Q526 WeakPolarHBondContact O-CG 2.79Å; A522-Q526 PolarHBondContact O-N 3.5Å; A522-Q526 VanDerWaalsContact O-N 3.12Å
523E60.8Low69.3Low58 Ų5867 Ų6727%0.27137%0.369SS..Hα-helixtrans-69.8-42.7177.3-68.4166132.700110.8L519 S520 M525 Q526 G527 R528L519-E523 HydrophobicContact CB-CB 4.38Å; L519-E523 HydrophobicContact CD2-CB 4.09Å; S520-E523 WeakPolarHBondContact CA-OE2 3.42Å; S520-E523 VanDerWaalsContact CB-OE2 3.23Å; S520-E523 WeakPolarHBondContact CB-OE2 3.45Å; S520-E523 PolarHBondContact N-OE2 3.4Å; S520-E523 WeakPolarHBondContact O-CB 3.31Å; S520-E523 PolarHBondContact O-N 3.1Å; S520-E523 VanDerWaalsContact OG-CD 3.26Å; S520-E523 VanDerWaalsContact OG-CG 3.24Å; S520-E523 WeakPolarHBondContact OG-CG 3.18Å; S520-E523 PolarHBondContact OG-N 3.36Å; S520-E523 PolarHBondContact OG-OE2 3.24Å; E523-M525 VanDerWaalsContact C-N 3.33Å; E523-M525 PolarHBondContact O-N 3.37Å; E523-Q526 CarbonylContact O-C 3.58Å; E523-Q526 PolarHBondContact O-N 3.36Å; E523-Q526 VanDerWaalsContact O-N 3.11Å; E523-G527 PolarHBondContact O-N 3.14Å; E523-R528 HydrophobicContact CB-CB 4.01Å; E523-R528 HydrophobicContact CB-CG 4.46Å; E523-R528 WeakPolarHBondContact O-CB 3.47Å; E523-R528 PolarHBondContact O-N 3.26Å; E523-R528 IonicContact OE1-NH1 3.88Å
524I60.2Low69.2Low94 Ų9466.5 Ų66.548%0.48237%0.367SS..Hα-helixtrans-58.9-45.6174.7-62.9168.8000110.6L519 S520 Q526 G527L519-I524 HydrophobicContact CB-CD1 4.19Å; L519-I524 HydrophobicContact CB-CG1 3.7Å; L519-I524 HydrophobicContact CD1-CG1 4.16Å; S520-I524 PolarHBondContact O-N 3.19Å; I524-Q526 PolarHBondContact O-N 2.93Å; I524-G527 WeakPolarHBondContact O-CA 2.98Å; I524-G527 PolarHBondContact O-N 3.07Å
525M50.1Low69.4Low101 Ų10165.1 Ų65.150%0.49836%0.359SS..Hα-helixtrans-63.4-29.7177.4-81.2-166.7143.500113.6T29 Q521 E523 G527T29-M525 HydrophobicContact CG2-CE 3.17Å; T29-M525 HydrophobicContact CG2-CG 3.97Å; T29-M525 HydrophobicContact CG2-SD 3.24Å; T29-M525 WeakPolarHBondContact CG2-SD 3.49Å; Q521-M525 WeakPolarHBondContact O-CG 3.41Å; Q521-M525 PolarHBondContact O-N 3.25Å; E523-M525 VanDerWaalsContact C-N 3.33Å; E523-M525 PolarHBondContact O-N 3.37Å; M525-G527 PolarHBondContact O-N 3.25Å
526Q63.2Low69.7Low133 Ų13362.8 Ų62.862%0.62135%0.348SS*.THydrogen-bonded Turntrans-80.25.2173.9-71.4174.6-300112.6A522 E523 I524 R528A522-Q526 VanDerWaalsContact O-CG 3.28Å; A522-Q526 WeakPolarHBondContact O-CG 2.79Å; A522-Q526 PolarHBondContact O-N 3.5Å; A522-Q526 VanDerWaalsContact O-N 3.12Å; E523-Q526 CarbonylContact O-C 3.58Å; E523-Q526 PolarHBondContact O-N 3.36Å; E523-Q526 VanDerWaalsContact O-N 3.11Å; I524-Q526 PolarHBondContact O-N 2.93Å; Q526-R528 HydrophobicContact CB-CG 4.27Å; Q526-R528 PolarHBondContact O-N 3.34Å
527G54.2Low70.4Confident62 Ų6262.5 Ų62.564%0.63935%0.347SS*.THydrogen-bonded Turntrans65.820.6-176.100000113.1E523 I524 M525 L529E523-G527 PolarHBondContact O-N 3.14Å; I524-G527 WeakPolarHBondContact O-CA 2.98Å; I524-G527 PolarHBondContact O-N 3.07Å; M525-G527 PolarHBondContact O-N 3.25Å; G527-L529 PolarHBondContact O-N 3.16Å
528R58.3Low71.4Confident139 Ų13958.4 Ų58.453%0.52532%0.32SS..PPolyproline II helixtrans-69.7134.6176.5-72.2-178166.8-170.3-2.9109.4L519 E523 Q526L519-R528 WeakPolarHBondContact CD1-O 3.3Å; E523-R528 HydrophobicContact CB-CB 4.01Å; E523-R528 HydrophobicContact CB-CG 4.46Å; E523-R528 WeakPolarHBondContact O-CB 3.47Å; E523-R528 PolarHBondContact O-N 3.26Å; E523-R528 IonicContact OE1-NH1 3.88Å; Q526-R528 HydrophobicContact CB-CG 4.27Å; Q526-R528 PolarHBondContact O-N 3.34Å
529L59.4Low72.8Confident133 Ų13354.4 Ų54.470%0.69629%0.294SS*.PPolyproline II helixtrans-87.1153.1169.9-66.4167.7000109.5G527 Q531G527-L529 PolarHBondContact O-N 3.16Å; L529-Q531 PolarHBondContact O-N 3.06Å; L529-Q531 VanDerWaalsContact O-N 3.11Å
530P62.7Low74.3Confident44 Ų4452.5 Ų52.529%0.28628%0.284SS..PPolyproline II helixtrans-61.3117.9173-12.625.4000108.3L519 E532 A558L519-P530 HydrophobicContact CD1-CB 4.46Å; L519-P530 HydrophobicContact CD1-CG 3.85Å; L519-P530 HydrophobicContact CG-CB 4.32Å; L519-P530 HydrophobicContact CG-CG 4.12Å; P530-E532 PolarHBondContact O-N 2.78Å; P530-A558 HydrophobicContact CB-CB 3.61Å; P530-A558 HydrophobicContact CG-CB 3.91Å
531Q69.5Low75.9Confident104 Ų10450.2 Ų50.249%0.48627%0.267SS..  trans-78.8-8.9-176.1-63.9-67.22300113.5L529 Y744 E762L529-Q531 PolarHBondContact O-N 3.06Å; L529-Q531 VanDerWaalsContact O-N 3.11Å; Q531-Y744 PolarHBondContact O-OH 3.03Å; Q531-E762 PolarHBondContact NE2-OE1 3.19Å; Q531-E762 PolarHBondContact OE1-OE1 2.94Å
532E81.9Confident77.9Confident44 Ų4447.3 Ų47.321%0.20625%0.254CS..SBendtrans-112.1129.4-175-66.1179.6-179.900109.1P516 P530 A558 Y744 M745 R748P516-E532 HydrophobicContact CB-CB 3.67Å; P516-E532 VanDerWaalsContact CG-O 3.27Å; P516-E532 WeakPolarHBondContact CG-O 3.39Å; P530-E532 PolarHBondContact O-N 2.78Å; E532-A558 WeakPolarHBondContact O-CB 3.47Å; E532-Y744 HydrophobicContact CG-CE1 4.44Å; E532-M745 HydrophobicContact CB-CE 4.21Å; E532-M745 HydrophobicContact CG-CE 3.65Å; E532-M745 HydrophobicContact CG-SD 4.42Å; E532-M745 VanDerWaalsContact OE1-CE 3.3Å; E532-M745 WeakPolarHBondContact OE1-CE 3.37Å; E532-M745 WeakPolarHBondContact OE2-CE 3.44Å; E532-R748 IonicContact OE1-CZ 2.9Å; E532-R748 IonicContact OE1-NH1 3.75Å; E532-R748 PolarHBondContact OE1-NH1 2.85Å
533P89.7Confident79.6Confident15 Ų1544.6 Ų44.610%0.09723%0.232CC..  trans-69.3162.7177.330.3-35.4000111.2L555 Q556 Y744 M766P533-L555 HydrophobicContact CB-CB 4.22Å; P533-L555 HydrophobicContact CG-CB 4.28Å; P533-L555 HydrophobicContact CG-CD1 4.28Å; P533-L555 HydrophobicContact CG-CD2 3.94Å; P533-L555 HydrophobicContact CG-CG 4.38Å; P533-Q556 WeakPolarHBondContact CA-O 3.26Å; P533-Q556 WeakPolarHBondContact CB-O 3.25Å; P533-Y744 VanDerWaalsContact CD-CZ 3.4Å; P533-Y744 HydrophobicContact CG-CD1 4.47Å; P533-Y744 HydrophobicContact CG-CD2 4.17Å; P533-Y744 HydrophobicContact CG-CE1 4.29Å; P533-Y744 HydrophobicContact CG-CE2 3.95Å; P533-Y744 HydrophobicContact CG-CG 4.42Å; P533-M766 HydrophobicContact CB-SD 3.95Å
534S93Very high81Confident0 Ų048.5 Ų48.50%024%0.244CC..EExtended strand (participates in β ladder)trans-75.4150.8160.4-50.80000109N514 H515 L555 Q556 D557 R559N514-S534 CarbonylContact O-C 3.52Å; N514-S534 WeakPolarHBondContact O-CA 3.42Å; H515-S534 PolarHBondContact ND1-OG 2.86Å; S534-L555 WeakPolarHBondContact O-CA 3.44Å; S534-Q556 PolarHBondContact N-O 2.91Å; S534-Q556 PolarHBondContact O-N 2.93Å; S534-D557 WeakPolarHBondContact CB-O 3.48Å; S534-D557 PolarHBondContact OG-O 3.37Å; S534-R559 PolarHBondContact OG-N 3.31Å
535V96Very high82.4Confident1 Ų145.5 Ų45.51%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-117.2117.5176.8-173.10000109.2V513 N514 R554 L555 A737 K741V513-V535 WeakPolarHBondContact CA-O 3.47Å; N514-V535 PolarHBondContact N-O 2.98Å; N514-V535 PolarHBondContact O-N 3.02Å; V535-R554 CarbonylContact C-O 3.59Å; V535-R554 WeakPolarHBondContact CA-O 3.49Å; V535-L555 HydrophobicContact CG2-CD2 3.81Å; V535-A737 WeakPolarHBondContact CG1-O 3.5Å; V535-K741 HydrophobicContact CG2-CB 3.94Å
536V97.4Very high84.3Confident0 Ų041.9 Ų41.90%021%0.211CC..EExtended strand (participates in β ladder)trans-75.8123167.1-175.20000107.1F511 V513 Y553 R554 Q556 I563 I571F511-V536 HydrophobicContact CD1-CG1 4.31Å; V513-V536 HydrophobicContact CG2-CG2 4.49Å; V536-Y553 CarbonylContact O-C 3.3Å; V536-Y553 WeakPolarHBondContact O-CA 3.45Å; V536-Y553 VanDerWaalsContact O-CB 3.26Å; V536-Y553 WeakPolarHBondContact O-CB 3.33Å; V536-R554 HydrophobicContact CB-CB 4.44Å; V536-R554 PolarHBondContact N-O 2.85Å; V536-R554 PolarHBondContact O-N 3.45Å; V536-Q556 HydrophobicContact CG2-CG 4.04Å; V536-I563 HydrophobicContact CG1-CD1 3.91Å; V536-I563 HydrophobicContact CG1-CG1 4.08Å; V536-I563 HydrophobicContact CG1-CG2 3.96Å; V536-I563 HydrophobicContact CG2-CG1 4.29Å; V536-I563 HydrophobicContact CG2-CG2 4.03Å; V536-I571 HydrophobicContact CG1-CD1 4.13Å
537G97.7Very high85.8Confident0 Ų035.5 Ų35.50%018%0.182CC..EExtended strand (participates in β ladder)trans-107.7132.316900000109.6F511 D512F511-G537 WeakPolarHBondContact CA-O 3.49Å; D512-G537 PolarHBondContact N-O 2.77Å; D512-G537 PolarHBondContact O-N 2.77Å
538A98.3Very high87.7Confident0 Ų032.6 Ų32.60%015%0.152CC..EExtended strand (participates in β ladder)trans-131.9153177.800000111.1G510 F511 I551 R552 I571 F575G510-A538 CarbonylContact O-C 3.56Å; G510-A538 WeakPolarHBondContact O-CA 3.33Å; F511-A538 HydrophobicContact CD1-CB 3.64Å; F511-A538 HydrophobicContact CE1-CB 3.51Å; F511-A538 HydrophobicContact CG-CB 4.47Å; F511-A538 HydrophobicContact CZ-CB 4.24Å; A538-I551 CarbonylContact O-C 3.59Å; A538-I551 WeakPolarHBondContact O-CA 3.23Å; A538-I551 WeakPolarHBondContact O-CB 3.24Å; A538-R552 PolarHBondContact N-O 3.35Å; A538-R552 PolarHBondContact O-N 2.89Å; A538-I571 HydrophobicContact CB-CD1 4.16Å; A538-I571 HydrophobicContact CB-CG2 3.51Å; A538-F575 HydrophobicContact CB-CE2 3.81Å; A538-F575 HydrophobicContact CB-CZ 4.27Å
539V98.1Very high89.5Confident0 Ų026 Ų260%013%0.127CC..EExtended strand (participates in β ladder)trans-142.2150.6177.374.70000111.3L509 G510 Y549 R550 I551 P729 H732 A733 W785L509-V539 WeakPolarHBondContact CA-O 3.21Å; G510-V539 PolarHBondContact N-O 2.72Å; G510-V539 PolarHBondContact O-N 3.01Å; V539-Y549 HydrophobicContact CG1-CD1 4.4Å; V539-Y549 HydrophobicContact CG2-CD1 3.67Å; V539-Y549 HydrophobicContact CG2-CG 4.05Å; V539-R550 CarbonylContact C-O 3.56Å; V539-R550 WeakPolarHBondContact CA-O 3.43Å; V539-R550 WeakPolarHBondContact CG2-O 3.37Å; V539-I551 HydrophobicContact CB-CG2 4.19Å; V539-I551 HydrophobicContact CG2-CG2 3.86Å; V539-P729 HydrophobicContact CG1-CB 4.11Å; V539-P729 WeakPolarHBondContact CG1-O 3.34Å; V539-H732 HydrophobicContact CB-CB 4.06Å; V539-H732 HydrophobicContact CG1-CB 4.02Å; V539-H732 HydrophobicContact CG2-CB 3.67Å; V539-A733 HydrophobicContact CG1-CB 4.29Å; V539-W785 HydrophobicContact CG2-CZ2 4.34Å
540C97.5Very high91.3Very high0 Ų020.1 Ų20.10%010%0.095CC..EExtended strand (participates in β ladder)trans-140.5143.6174.9-179.70000111.7M507 F508 L509 C542 Y549 R550 F575M507-C540 VanDerWaalsContact CE-SG 3.56Å; M507-C540 VanDerWaalsContact CG-SG 3.54Å; F508-C540 WeakPolarHBondContact O-CA 3.46Å; L509-C540 HydrophobicContact CD2-CB 3.61Å; C540-C542 HydrophobicContact CB-CB 4.44Å; C540-C542 PolarHBondContact O-N 2.97Å; C540-Y549 CarbonylContact O-C 3.6Å; C540-Y549 VanDerWaalsContact O-CA 3.22Å; C540-Y549 WeakPolarHBondContact O-CA 3.46Å; C540-R550 PolarHBondContact N-O 3.36Å; C540-R550 PolarHBondContact O-N 2.88Å; C540-F575 HydrophobicContact CB-CB 3.95Å; C540-F575 HydrophobicContact CB-CD1 3.47Å; C540-F575 VanDerWaalsContact CB-CD1 3.47Å; C540-F575 HydrophobicContact CB-CD2 3.72Å; C540-F575 HydrophobicContact CB-CE1 3.74Å; C540-F575 HydrophobicContact CB-CE2 3.96Å; C540-F575 HydrophobicContact CB-CG 3.46Å; C540-F575 VanDerWaalsContact CB-CG 3.46Å; C540-F575 HydrophobicContact CB-CZ 3.98Å
541N96.3Very high92.9Very high8 Ų818.3 Ų18.34%0.0438%0.083CC..  trans-78.54917070.4-41.1000112.9V506 M507 F508 G543 F546 Y549V506-N541 PolarHBondContact O-ND2 2.98Å; V506-N541 VanDerWaalsContact O-ND2 3.16Å; M507-N541 WeakPolarHBondContact CA-OD1 3.26Å; F508-N541 PolarHBondContact N-OD1 2.91Å; F508-N541 PolarHBondContact O-N 3.49Å; N541-G543 VanDerWaalsContact C-N 3.34Å; N541-G543 PolarHBondContact O-N 3.34Å; N541-F546 VanDerWaalsContact CB-O 3.31Å; N541-F546 WeakPolarHBondContact CB-O 3.33Å; N541-Y549 HydrophobicContact CB-CD1 4.05Å; N541-Y549 HydrophobicContact CB-CE1 3.77Å
542C95Very high94.2Very high0 Ų014.9 Ų14.90%07%0.066CC..  trans-90.813.3-176.6520000114.5C540 R550 Y579 N582C540-C542 HydrophobicContact CB-CB 4.44Å; C540-C542 PolarHBondContact O-N 2.97Å; C542-R550 VanDerWaalsContact SG-CB 3.5Å; C542-R550 WeakPolarHBondContact SG-CG 3.44Å; C542-Y579 HydrophobicContact CB-CD2 3.77Å; C542-Y579 HydrophobicContact CB-CG 4.17Å; C542-N582 WeakPolarHBondContact O-CB 3.35Å; C542-N582 PolarHBondContact O-ND2 2.87Å
543G92.3Very high94.9Very high1 Ų113.2 Ų13.21%0.016%0.058CC..SBendtrans-77.9-154.6176.700000114.1N541 D548N541-G543 VanDerWaalsContact C-N 3.34Å; N541-G543 PolarHBondContact O-N 3.34Å; G543-D548 VanDerWaalsContact CA-O 3.29Å; G543-D548 WeakPolarHBondContact CA-O 3.27Å; G543-D548 WeakPolarHBondContact CA-OD2 3.32Å; G543-D548 PolarHBondContact N-O 3.35Å
544R89.8Confident95.2Very high140 Ų14013.8 Ų13.853%0.5286%0.058SC..SBendtrans-78.2-23.1-177.7-70.3162.2-65.8171.16.3113.3G485 D548G485-R544 PolarHBondContact O-NH1 3.29Å; G485-R544 PolarHBondContact O-NH2 2.93Å; R544-D548 IonicContact CZ-OD2 2.76Å; R544-D548 PolarHBondContact N-OD2 3.35Å; R544-D548 IonicContact NE-OD2 2.91Å; R544-D548 PolarHBondContact NE-OD2 3.43Å; R544-D548 IonicContact NH2-OD2 3.25Å; R544-D548 PolarHBondContact NH2-OD2 3.21Å
545T90.3Very high95.3Very high31 Ų3113.8 Ų13.819%0.196%0.058CC..SBendtrans-139.8169.8-174.673.80000109.7F351 L352 E490 S547 D548F351-T545 HydrophobicContact CE1-CG2 4.05Å; L352-T545 HydrophobicContact CD1-CG2 3.53Å; E490-T545 WeakPolarHBondContact OE1-CB 3.19Å; E490-T545 PolarHBondContact OE1-OG1 3.46Å; T545-S547 VanDerWaalsContact C-N 3.3Å; T545-S547 PolarHBondContact O-N 3.11Å; T545-D548 WeakPolarHBondContact O-CB 3.48Å; T545-D548 PolarHBondContact O-N 3.24Å; T545-D548 VanDerWaalsContact O-N 3.09Å
546F90.7Very high95.2Very high24 Ų2414 Ų1411%0.1056%0.059CC..THydrogen-bonded Turntrans-60.7-38-175.8176-87000113.1E490 I502 F508 N541 D548 L713 T716E490-F546 PolarHBondContact OE1-N 3.31Å; I502-F546 HydrophobicContact CB-CD2 4.41Å; I502-F546 HydrophobicContact CB-CE2 4.13Å; I502-F546 HydrophobicContact CD1-CD2 4.46Å; I502-F546 HydrophobicContact CD1-CE1 3.91Å; I502-F546 HydrophobicContact CD1-CE2 3.47Å; I502-F546 VanDerWaalsContact CD1-CE2 3.47Å; I502-F546 HydrophobicContact CD1-CZ 3.18Å; I502-F546 HydrophobicContact CG1-CE2 4.36Å; I502-F546 HydrophobicContact CG1-CZ 4.38Å; I502-F546 HydrophobicContact CG2-CB 4.47Å; I502-F546 HydrophobicContact CG2-CD1 4.04Å; I502-F546 HydrophobicContact CG2-CD2 3.69Å; I502-F546 HydrophobicContact CG2-CE1 4.18Å; I502-F546 HydrophobicContact CG2-CE2 3.74Å; I502-F546 HydrophobicContact CG2-CG 3.82Å; I502-F546 HydrophobicContact CG2-CZ 4.05Å; F508-F546 HydrophobicContact CD2-CD2 4.41Å; F508-F546 AromaticContact CD2-CE2 3.61Å; F508-F546 HydrophobicContact CD2-CE2 3.61Å; F508-F546 AromaticContact CD2-CZ 3.85Å; F508-F546 HydrophobicContact CD2-CZ 3.85Å; F508-F546 HydrophobicContact CE2-CD2 4.05Å; F508-F546 AromaticContact CE2-CE2 3.06Å; F508-F546 HydrophobicContact CE2-CE2 3.06Å; F508-F546 AromaticContact CE2-CZ 3.53Å; F508-F546 HydrophobicContact CE2-CZ 3.53Å; F508-F546 AromaticContact CZ-CE2 3.78Å; F508-F546 HydrophobicContact CZ-CE2 3.78Å; F508-F546 AromaticContact CZ-CZ 3.99Å; F508-F546 HydrophobicContact CZ-CZ 3.99Å; N541-F546 VanDerWaalsContact CB-O 3.31Å; N541-F546 WeakPolarHBondContact CB-O 3.33Å; F546-D548 VanDerWaalsContact C-N 3.32Å; F546-L713 HydrophobicContact CE1-CD2 3.82Å; F546-L713 HydrophobicContact CZ-CD2 3.53Å; F546-T716 HydrophobicContact CD1-CG2 4.27Å; F546-T716 HydrophobicContact CE1-CG2 3.97Å
547S93.4Very high94.8Very high0 Ų018.8 Ų18.80%08%0.084CC..THydrogen-bonded Turntrans-90.26.8178.5-59.50000113.7E490 T545 Y549 T716E490-S547 VanDerWaalsContact CD-OG 3.3Å; E490-S547 WeakPolarHBondContact OE1-CB 3.48Å; E490-S547 PolarHBondContact OE1-N 2.97Å; E490-S547 VanDerWaalsContact OE2-CB 3.26Å; E490-S547 WeakPolarHBondContact OE2-CB 3.4Å; E490-S547 PolarHBondContact OE2-N 3.44Å; E490-S547 VanDerWaalsContact OE2-N 3.14Å; E490-S547 PolarHBondContact OE2-OG 2.84Å; T545-S547 VanDerWaalsContact C-N 3.3Å; T545-S547 PolarHBondContact O-N 3.11Å; S547-Y549 WeakPolarHBondContact O-CD2 3.46Å; S547-Y549 PolarHBondContact O-N 3.1Å; S547-T716 WeakPolarHBondContact OG-CB 3.14Å; S547-T716 WeakPolarHBondContact OG-CG2 3.38Å
548D94.5Very high94.2Very high1 Ų120.5 Ų20.51%0.00510%0.098CC..  trans-92.390.5177.7-166.612.4000110.4V487 G543 R544 T545 F546 R550V487-D548 HydrophobicContact CG2-CB 3.98Å; G543-D548 VanDerWaalsContact CA-O 3.29Å; G543-D548 WeakPolarHBondContact CA-O 3.27Å; G543-D548 WeakPolarHBondContact CA-OD2 3.32Å; G543-D548 PolarHBondContact N-O 3.35Å; R544-D548 IonicContact CZ-OD2 2.76Å; R544-D548 PolarHBondContact N-OD2 3.35Å; R544-D548 IonicContact NE-OD2 2.91Å; R544-D548 PolarHBondContact NE-OD2 3.43Å; R544-D548 IonicContact NH2-OD2 3.25Å; R544-D548 PolarHBondContact NH2-OD2 3.21Å; T545-D548 WeakPolarHBondContact O-CB 3.48Å; T545-D548 PolarHBondContact O-N 3.24Å; T545-D548 VanDerWaalsContact O-N 3.09Å; F546-D548 VanDerWaalsContact C-N 3.32Å; D548-R550 IonicContact OD1-CZ 3.1Å; D548-R550 IonicContact OD1-NH1 3.34Å; D548-R550 PolarHBondContact OD1-NH1 2.7Å; D548-R550 IonicContact OD1-NH2 3.11Å; D548-R550 IonicContact OD2-CZ 2.72Å; D548-R550 IonicContact OD2-NH1 3.15Å; D548-R550 IonicContact OD2-NH2 2.69Å; D548-R550 PolarHBondContact OD2-NH2 2.7Å; D548-R550 VanDerWaalsContact OD2-NH2 3.15Å
549Y96.6Very high93.6Very high0 Ų026.8 Ų26.80%012%0.122CC..  trans-89160.2-175-73.9-90.2000113.5V539 C540 N541 S547 A728 P729 H732 M783 W785V539-Y549 HydrophobicContact CG1-CD1 4.4Å; V539-Y549 HydrophobicContact CG2-CD1 3.67Å; V539-Y549 HydrophobicContact CG2-CG 4.05Å; C540-Y549 CarbonylContact O-C 3.6Å; C540-Y549 VanDerWaalsContact O-CA 3.22Å; C540-Y549 WeakPolarHBondContact O-CA 3.46Å; N541-Y549 HydrophobicContact CB-CD1 4.05Å; N541-Y549 HydrophobicContact CB-CE1 3.77Å; S547-Y549 WeakPolarHBondContact O-CD2 3.46Å; S547-Y549 PolarHBondContact O-N 3.1Å; Y549-A728 HydrophobicContact CE2-CB 4.33Å; Y549-P729 HydrophobicContact CE1-CB 4.46Å; Y549-P729 HydrophobicContact CE1-CG 3.95Å; Y549-H732 AromaticContact CD2-CD2 3.88Å; Y549-H732 AromaticContact CG-CD2 4Å; Y549-M783 WeakPolarHBondContact O-CG 3.43Å; Y549-W785 VanDerWaalsContact O-CH2 3.23Å; Y549-W785 WeakPolarHBondContact O-CH2 3.45Å
550R96.2Very high93Very high9 Ų928.5 Ų28.53%0.03413%0.13CC..EExtended strand (participates in β ladder)trans-130.8143.4171.1-58.6-68.4178.1-89.5-2.8109.6V539 C540 C542 D548 F575 E578 R781V539-R550 CarbonylContact C-O 3.56Å; V539-R550 WeakPolarHBondContact CA-O 3.43Å; V539-R550 WeakPolarHBondContact CG2-O 3.37Å; C540-R550 PolarHBondContact N-O 3.36Å; C540-R550 PolarHBondContact O-N 2.88Å; C542-R550 VanDerWaalsContact SG-CB 3.5Å; C542-R550 WeakPolarHBondContact SG-CG 3.44Å; D548-R550 IonicContact OD1-CZ 3.1Å; D548-R550 IonicContact OD1-NH1 3.34Å; D548-R550 PolarHBondContact OD1-NH1 2.7Å; D548-R550 IonicContact OD1-NH2 3.11Å; D548-R550 IonicContact OD2-CZ 2.72Å; D548-R550 IonicContact OD2-NH1 3.15Å; D548-R550 IonicContact OD2-NH2 2.69Å; D548-R550 PolarHBondContact OD2-NH2 2.7Å; D548-R550 VanDerWaalsContact OD2-NH2 3.15Å; R550-F575 HydrophobicContact CB-CE1 4.16Å; R550-F575 WeakPolarHBondContact O-CE1 3.33Å; R550-E578 WeakPolarHBondContact CD-OE1 3.37Å; R550-E578 WeakPolarHBondContact CG-OE1 3.32Å; R550-E578 IonicContact NE-OE1 2.86Å; R550-E578 PolarHBondContact NE-OE1 2.87Å; R550-E578 VanDerWaalsContact NE-OE1 3.15Å; R550-R781 PolarHBondContact NE-O 3.47Å; R550-R781 VanDerWaalsContact NE-O 3.11Å; R550-R781 PolarHBondContact NH2-O 3.24Å; R550-R781 VanDerWaalsContact NH2-O 3.17Å
551I97Very high92.5Very high7 Ų730.1 Ų30.14%0.03614%0.137CC..EExtended strand (participates in β ladder)trans-108.1157.5176.866.2171.1000112.5A538 V539 Y553 A736 M775 W785A538-I551 CarbonylContact O-C 3.59Å; A538-I551 WeakPolarHBondContact O-CA 3.23Å; A538-I551 WeakPolarHBondContact O-CB 3.24Å; V539-I551 HydrophobicContact CB-CG2 4.19Å; V539-I551 HydrophobicContact CG2-CG2 3.86Å; I551-Y553 HydrophobicContact CD1-CD1 4.48Å; I551-A736 HydrophobicContact CB-CB 3.69Å; I551-A736 HydrophobicContact CD1-CB 3.99Å; I551-A736 HydrophobicContact CG1-CB 4.41Å; I551-A736 HydrophobicContact CG2-CB 3.66Å; I551-M775 HydrophobicContact CD1-CE 3.88Å; I551-M775 HydrophobicContact CD1-SD 4.29Å; I551-M775 HydrophobicContact CG1-SD 4.48Å; I551-W785 HydrophobicContact CB-CD2 4.28Å; I551-W785 HydrophobicContact CB-CE3 3.96Å; I551-W785 HydrophobicContact CB-CH2 4.33Å; I551-W785 HydrophobicContact CB-CZ3 3.96Å; I551-W785 HydrophobicContact CD1-CB 4.03Å; I551-W785 HydrophobicContact CD1-CD2 3.88Å; I551-W785 HydrophobicContact CD1-CE3 3.43Å; I551-W785 VanDerWaalsContact CD1-CE3 3.43Å; I551-W785 HydrophobicContact CD1-CG 4.14Å; I551-W785 HydrophobicContact CD1-CZ3 4.15Å; I551-W785 HydrophobicContact CG1-CD2 4.06Å; I551-W785 HydrophobicContact CG1-CE3 3.37Å; I551-W785 HydrophobicContact CG1-CH2 4.39Å; I551-W785 HydrophobicContact CG1-CZ3 3.55Å; I551-W785 HydrophobicContact CG2-CD2 3.38Å; I551-W785 HydrophobicContact CG2-CE3 3.52Å; I551-W785 HydrophobicContact CG2-CG 4.04Å; I551-W785 HydrophobicContact CG2-CH2 3.66Å; I551-W785 HydrophobicContact CG2-CZ2 3.55Å; I551-W785 HydrophobicContact CG2-CZ3 3.64Å
552R96.7Very high92.2Very high32 Ų3232.7 Ų32.712%0.12115%0.151CC..EExtended strand (participates in β ladder)trans-134.7157.9160.5-64.3-62.5-176.2-84.3-4.8108.8A538 I571 E574 F575 E578A538-R552 PolarHBondContact N-O 3.35Å; A538-R552 PolarHBondContact O-N 2.89Å; R552-I571 HydrophobicContact CB-CG1 4.08Å; R552-I571 HydrophobicContact CB-CG2 4.17Å; R552-E574 VanDerWaalsContact CD-OE2 3.24Å; R552-E574 WeakPolarHBondContact CD-OE2 3.4Å; R552-E574 IonicContact NE-OE2 3.82Å; R552-E574 PolarHBondContact NE-OE2 2.93Å; R552-E574 VanDerWaalsContact NE-OE2 3.07Å; R552-F575 HydrophobicContact CB-CE1 4.42Å; R552-F575 HydrophobicContact CB-CE2 4.47Å; R552-F575 HydrophobicContact CB-CZ 3.94Å; R552-F575 HydrophobicContact CG-CD1 4.25Å; R552-F575 HydrophobicContact CG-CE1 3.6Å; R552-F575 HydrophobicContact CG-CE2 4.27Å; R552-F575 HydrophobicContact CG-CZ 3.61Å; R552-E578 IonicContact CZ-OE2 3.15Å; R552-E578 IonicContact NH1-OE2 3.7Å; R552-E578 PolarHBondContact NH1-OE2 3.36Å; R552-E578 IonicContact NH2-OE2 3.53Å; R552-E578 PolarHBondContact NH2-OE2 3.29Å
553Y96.8Very high92.2Very high9 Ų932.7 Ų32.74%0.03515%0.151CC..EExtended strand (participates in β ladder)trans-144.2150.5169.250.9-92.1000111.2V536 I551 L743 I773 M775V536-Y553 CarbonylContact O-C 3.3Å; V536-Y553 WeakPolarHBondContact O-CA 3.45Å; V536-Y553 VanDerWaalsContact O-CB 3.26Å; V536-Y553 WeakPolarHBondContact O-CB 3.33Å; I551-Y553 HydrophobicContact CD1-CD1 4.48Å; Y553-L743 HydrophobicContact CE1-CD1 4.26Å; Y553-L743 HydrophobicContact CE2-CD1 4.48Å; Y553-L743 WeakPolarHBondContact OH-CD1 3.27Å; Y553-I773 HydrophobicContact CE2-CD1 4.06Å; Y553-I773 HydrophobicContact CE2-CG1 4.14Å; Y553-I773 PolarHBondContact OH-O 3.46Å; Y553-M775 HydrophobicContact CE1-CE 3.97Å; Y553-M775 HydrophobicContact CE1-CG 4.18Å; Y553-M775 HydrophobicContact CE1-SD 4.37Å; Y553-M775 WeakPolarHBondContact OH-CG 3.34Å; Y553-M775 PolarHBondContact OH-N 2.93Å
554R96.5Very high92.3Very high27 Ų2735.2 Ų35.210%0.10217%0.165CC..EExtended strand (participates in β ladder)trans-137.1147.7177.4-67.5-65.1178.7-84.6-2.1110.2V535 V536 K567 I571 E574 E770V535-R554 CarbonylContact C-O 3.59Å; V535-R554 WeakPolarHBondContact CA-O 3.49Å; V536-R554 HydrophobicContact CB-CB 4.44Å; V536-R554 PolarHBondContact N-O 2.85Å; V536-R554 PolarHBondContact O-N 3.45Å; R554-K567 HydrophobicContact CB-CB 3.97Å; R554-K567 HydrophobicContact CB-CD 3.89Å; R554-K567 HydrophobicContact CB-CG 4.07Å; R554-K567 HydrophobicContact CG-CB 4.09Å; R554-K567 HydrophobicContact CG-CD 4.04Å; R554-K567 HydrophobicContact CG-CG 4.46Å; R554-I571 HydrophobicContact CB-CD1 4.38Å; R554-I571 HydrophobicContact CG-CD1 3.75Å; R554-I571 HydrophobicContact CG-CG1 3.94Å; R554-E574 IonicContact CZ-OE1 2.85Å; R554-E574 IonicContact CZ-OE2 3.24Å; R554-E574 IonicContact NH2-OE1 2.7Å; R554-E574 PolarHBondContact NH2-OE1 2.83Å; R554-E574 IonicContact NH2-OE2 2.78Å; R554-E574 PolarHBondContact NH2-OE2 3.44Å; R554-E770 WeakPolarHBondContact CD-OE2 3.34Å
555L94.9Very high92.6Very high0 Ų032.5 Ų32.50%016%0.157CC..EExtended strand (participates in β ladder)trans-87.8139.3172.8-54.1-178.1000108.2P533 S534 V535 K567 Y744 M766 I769 E770 I773P533-L555 HydrophobicContact CB-CB 4.22Å; P533-L555 HydrophobicContact CG-CB 4.28Å; P533-L555 HydrophobicContact CG-CD1 4.28Å; P533-L555 HydrophobicContact CG-CD2 3.94Å; P533-L555 HydrophobicContact CG-CG 4.38Å; S534-L555 WeakPolarHBondContact O-CA 3.44Å; V535-L555 HydrophobicContact CG2-CD2 3.81Å; L555-K567 WeakPolarHBondContact O-CE 3.47Å; L555-Y744 HydrophobicContact CD1-CD2 3.83Å; L555-Y744 HydrophobicContact CD1-CE2 4.36Å; L555-Y744 HydrophobicContact CD2-CD2 4.49Å; L555-M766 HydrophobicContact CB-CG 3.76Å; L555-M766 HydrophobicContact CB-SD 3.85Å; L555-M766 HydrophobicContact CD1-CG 4.29Å; L555-I769 HydrophobicContact CD1-CB 4.12Å; L555-I769 HydrophobicContact CD1-CG2 3.75Å; L555-E770 WeakPolarHBondContact CA-OE1 3Å; L555-E770 HydrophobicContact CB-CG 4.03Å; L555-E770 HydrophobicContact CD1-CG 4.04Å; L555-E770 HydrophobicContact CG-CG 3.77Å; L555-E770 PolarHBondContact N-OE1 2.85Å; L555-E770 VanDerWaalsContact O-OE1 3.05Å; L555-I773 HydrophobicContact CD1-CD1 4.13Å; L555-I773 HydrophobicContact CD2-CD1 4.25Å; L555-I773 HydrophobicContact CG-CD1 4.35Å
556Q93Very high92.8Very high6 Ų636.5 Ų36.53%0.02818%0.177CC..EExtended strand (participates in β ladder)trans-143.2176.1171.970.117941.100110.1P533 S534 V536 Q560 N562P533-Q556 WeakPolarHBondContact CA-O 3.26Å; P533-Q556 WeakPolarHBondContact CB-O 3.25Å; S534-Q556 PolarHBondContact N-O 2.91Å; S534-Q556 PolarHBondContact O-N 2.93Å; V536-Q556 HydrophobicContact CG2-CG 4.04Å; Q556-Q560 PolarHBondContact NE2-O 2.88Å; Q556-N562 PolarHBondContact NE2-O 3.39Å
557D88.8Confident93.1Very high100 Ų10036.5 Ų36.554%0.53518%0.177SC..SBendtrans-56.3146-175.6-71.6-29.1000112.6S534 R559 Q560 M766S534-D557 WeakPolarHBondContact CB-O 3.48Å; S534-D557 PolarHBondContact OG-O 3.37Å; D557-R559 PolarHBondContact O-N 3.27Å; D557-Q560 HydrophobicContact CB-CB 4.32Å; D557-Q560 WeakPolarHBondContact O-CB 3.46Å; D557-Q560 PolarHBondContact O-N 3.32Å; D557-M766 WeakPolarHBondContact OD1-CE 3.32Å
558A86.3Confident93.3Very high35 Ų3536.5 Ų36.529%0.28918%0.177SC..THydrogen-bonded Turntrans-60.5126.6-174.600000111.1P516 P530 E532 Q560P516-A558 HydrophobicContact CG-CB 4.15Å; P530-A558 HydrophobicContact CB-CB 3.61Å; P530-A558 HydrophobicContact CG-CB 3.91Å; E532-A558 WeakPolarHBondContact O-CB 3.47Å; A558-Q560 PolarHBondContact O-N 3.01Å
559R84.5Confident93.4Very high133 Ų13336.9 Ų36.950%0.50218%0.179SC..THydrogen-bonded Turntrans62.416.4179.4-39.4-168.496.9-134.3-3.3115.3H515 P516 S534 D557 E561H515-R559 WeakPolarHBondContact ND1-CA 3.48Å; P516-R559 HydrophobicContact CG-CG 4.03Å; S534-R559 PolarHBondContact OG-N 3.31Å; D557-R559 PolarHBondContact O-N 3.27Å; R559-E561 PolarHBondContact O-N 2.84Å
560Q86.8Confident93.4Very high36 Ų3638 Ų3817%0.16819%0.19CC..  trans-73.6116.1165.9-176-173.6-21.200109.1H515 Q556 D557 A558 N562H515-Q560 PolarHBondContact CE1-O 3.29Å; H515-Q560 VanDerWaalsContact CE1-O 3.24Å; Q556-Q560 PolarHBondContact NE2-O 2.88Å; D557-Q560 HydrophobicContact CB-CB 4.32Å; D557-Q560 WeakPolarHBondContact O-CB 3.46Å; D557-Q560 PolarHBondContact O-N 3.32Å; A558-Q560 PolarHBondContact O-N 3.01Å; Q560-N562 WeakPolarHBondContact CG-O 3.31Å; Q560-N562 WeakPolarHBondContact CG-OD1 3.5Å; Q560-N562 PolarHBondContact NE2-ND2 3.18Å; Q560-N562 PolarHBondContact NE2-O 2.91Å
561E85.6Confident93.5Very high33 Ų3337.5 Ų37.515%0.15419%0.188CC..  trans-82.5-37.5178.8-17863.5-128.300112.3H515 R559 I563 R594H515-E561 IonicContact CD2-OE2 2.95Å; H515-E561 IonicContact CE1-OE2 3.81Å; H515-E561 IonicContact NE2-OE2 3.94Å; H515-E561 PolarHBondContact NE2-OE2 3.03Å; R559-E561 PolarHBondContact O-N 2.84Å; E561-I563 PolarHBondContact O-N 3.04Å; E561-R594 PolarHBondContact O-NH2 3.39Å; E561-R594 IonicContact OE1-CZ 3.91Å; E561-R594 IonicContact OE1-NH1 3.93Å; E561-R594 PolarHBondContact OE1-NH1 3.26Å; E561-R594 IonicContact OE1-NH2 3.59Å; E561-R594 PolarHBondContact OE1-NH2 2.9Å
562N90.2Very high93.6Very high63 Ų6337.2 Ų37.234%0.33719%0.187SC..SBendtrans-66.2131.1175.861.2-68.7000109.7Q556 Q560 D564 M604Q556-N562 PolarHBondContact NE2-O 3.39Å; Q560-N562 WeakPolarHBondContact CG-O 3.31Å; Q560-N562 WeakPolarHBondContact CG-OD1 3.5Å; Q560-N562 PolarHBondContact NE2-ND2 3.18Å; Q560-N562 PolarHBondContact NE2-O 2.91Å; N562-D564 PolarHBondContact O-N 2.77Å; N562-M604 HydrophobicContact CB-CE 3.71Å; N562-M604 HydrophobicContact CB-CG 3.78Å; N562-M604 HydrophobicContact CB-SD 3.35Å; N562-M604 WeakPolarHBondContact CB-SD 3.47Å
563I94.7Very high93.7Very high0 Ų037.6 Ų37.60%019%0.193CC..PPolyproline II helixtrans-70.7129.6176.8-60.9170.6000108.3F511 V513 V536 E561 M568 E609F511-I563 HydrophobicContact CB-CD1 3.94Å; F511-I563 HydrophobicContact CD1-CD1 3.75Å; F511-I563 HydrophobicContact CG-CD1 4.08Å; V513-I563 HydrophobicContact CG2-CD1 4.34Å; V513-I563 HydrophobicContact CG2-CG1 3.87Å; V536-I563 HydrophobicContact CG1-CD1 3.91Å; V536-I563 HydrophobicContact CG1-CG1 4.08Å; V536-I563 HydrophobicContact CG1-CG2 3.96Å; V536-I563 HydrophobicContact CG2-CG1 4.29Å; V536-I563 HydrophobicContact CG2-CG2 4.03Å; E561-I563 PolarHBondContact O-N 3.04Å; I563-M568 HydrophobicContact CB-CE 3.78Å; I563-M568 HydrophobicContact CD1-CE 3.44Å; I563-M568 VanDerWaalsContact CD1-CE 3.44Å; I563-M568 HydrophobicContact CG1-CE 4.16Å; I563-M568 HydrophobicContact CG2-CB 3.83Å; I563-M568 HydrophobicContact CG2-CE 3.92Å; I563-E609 PolarHBondContact N-OE1 3.44Å; I563-E609 VanDerWaalsContact N-OE1 3.13Å
564D94.6Very high93.7Very high54 Ų5440.6 Ų40.629%0.28921%0.207SC..PPolyproline II helixtrans-60.4145.4178176.6-90.8000111.9N562 D566 K567 M568N562-D564 PolarHBondContact O-N 2.77Å; D564-D566 PolarHBondContact O-N 3.1Å; D564-D566 PolarHBondContact OD1-N 3.2Å; D564-K567 HydrophobicContact CB-CB 4.26Å; D564-K567 HydrophobicContact CB-CG 3.77Å; D564-K567 PolarHBondContact O-N 2.81Å; D564-K567 PolarHBondContact OD1-N 2.82Å; D564-M568 PolarHBondContact O-N 3.2Å
565K95.9Very high93.7Very high82 Ų8239.3 Ų39.336%0.35720%0.202SC..Hα-helixtrans-54.8-54-174.4177.6178.7177.2-174.80112.3K567 M568 I569 F612K565-K567 VanDerWaalsContact C-N 3.27Å; K565-K567 PolarHBondContact O-N 2.96Å; K565-M568 PolarHBondContact O-N 2.99Å; K565-I569 HydrophobicContact CD-CD1 4.49Å; K565-I569 HydrophobicContact CG-CD1 3.74Å; K565-I569 WeakPolarHBondContact O-CB 3.44Å; K565-I569 VanDerWaalsContact O-CG1 3.3Å; K565-I569 WeakPolarHBondContact O-CG1 3.22Å; K565-I569 PolarHBondContact O-N 2.91Å; K565-F612 VanDerWaalsContact CA-CE2 3.44Å; K565-F612 HydrophobicContact CB-CD1 4.25Å; K565-F612 HydrophobicContact CB-CD2 4.1Å; K565-F612 HydrophobicContact CB-CE1 3.88Å; K565-F612 HydrophobicContact CB-CE2 3.66Å; K565-F612 HydrophobicContact CB-CG 4.36Å; K565-F612 HydrophobicContact CB-CZ 3.54Å; K565-F612 HydrophobicContact CD-CD1 4.28Å; K565-F612 HydrophobicContact CD-CE1 3.86Å; K565-F612 HydrophobicContact CD-CZ 4.29Å; K565-F612 HydrophobicContact CG-CD1 3.74Å; K565-F612 HydrophobicContact CG-CD2 4.36Å; K565-F612 HydrophobicContact CG-CE1 3.64Å; K565-F612 HydrophobicContact CG-CE2 4.23Å; K565-F612 HydrophobicContact CG-CG 4.12Å; K565-F612 HydrophobicContact CG-CZ 3.88Å
566D95.8Very high93.9Very high116 Ų11639.3 Ų39.362%0.6220%0.202SC*.Hα-helixtrans-71.8-31.5-172.3-64.6-24.9000110.1D564 G570D564-D566 PolarHBondContact O-N 3.1Å; D564-D566 PolarHBondContact OD1-N 3.2Å; D566-G570 PolarHBondContact O-N 3.26Å
567K96Very high94.1Very high23 Ų2340 Ų4010%0.121%0.211CC..Hα-helixtrans-65.9-48.5175-53-49.6-176.1171.70111.7R554 L555 D564 K565 I571 D767 E770R554-K567 HydrophobicContact CB-CB 3.97Å; R554-K567 HydrophobicContact CB-CD 3.89Å; R554-K567 HydrophobicContact CB-CG 4.07Å; R554-K567 HydrophobicContact CG-CB 4.09Å; R554-K567 HydrophobicContact CG-CD 4.04Å; R554-K567 HydrophobicContact CG-CG 4.46Å; L555-K567 WeakPolarHBondContact O-CE 3.47Å; D564-K567 HydrophobicContact CB-CB 4.26Å; D564-K567 HydrophobicContact CB-CG 3.77Å; D564-K567 PolarHBondContact O-N 2.81Å; D564-K567 PolarHBondContact OD1-N 2.82Å; K565-K567 VanDerWaalsContact C-N 3.27Å; K565-K567 PolarHBondContact O-N 2.96Å; K567-I571 WeakPolarHBondContact O-CB 3.47Å; K567-I571 WeakPolarHBondContact O-CD1 3.22Å; K567-I571 WeakPolarHBondContact O-CG1 3.25Å; K567-I571 PolarHBondContact O-N 3.04Å; K567-D767 IonicContact NZ-OD1 3.6Å; K567-D767 PolarHBondContact NZ-OD1 3.04Å; K567-E770 WeakPolarHBondContact CE-OE1 3.17Å; K567-E770 IonicContact NZ-OE1 3.51Å; K567-E770 PolarHBondContact NZ-OE1 3.28Å; K567-E770 IonicContact NZ-OE2 2.92Å; K567-E770 PolarHBondContact NZ-OE2 3.42Å
568M97.3Very high94.4Very high0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-64.2-47.4178.9-177.1158.1-85.900111.4F511 I563 D564 K565 G570 I571 V572 E609 F612 I613F511-M568 HydrophobicContact CD1-CE 4.22Å; F511-M568 HydrophobicContact CE1-CE 4.11Å; F511-M568 HydrophobicContact CG-CE 4.47Å; F511-M568 HydrophobicContact CZ-CE 4.27Å; I563-M568 HydrophobicContact CB-CE 3.78Å; I563-M568 HydrophobicContact CD1-CE 3.44Å; I563-M568 VanDerWaalsContact CD1-CE 3.44Å; I563-M568 HydrophobicContact CG1-CE 4.16Å; I563-M568 HydrophobicContact CG2-CB 3.83Å; I563-M568 HydrophobicContact CG2-CE 3.92Å; D564-M568 PolarHBondContact O-N 3.2Å; K565-M568 PolarHBondContact O-N 2.99Å; M568-G570 PolarHBondContact O-N 3.26Å; M568-I571 PolarHBondContact O-N 3.48Å; M568-V572 HydrophobicContact CG-CG2 4.44Å; M568-V572 WeakPolarHBondContact O-CG2 3.46Å; M568-V572 PolarHBondContact O-N 2.8Å; M568-E609 HydrophobicContact CE-CB 3.97Å; M568-E609 HydrophobicContact CE-CG 4.07Å; M568-E609 HydrophobicContact SD-CB 3.68Å; M568-E609 HydrophobicContact SD-CG 4.15Å; M568-E609 VanDerWaalsContact SD-O 3.34Å; M568-F612 HydrophobicContact CB-CB 4.23Å; M568-F612 HydrophobicContact CB-CD2 4.46Å; M568-F612 HydrophobicContact CG-CB 4.07Å; M568-F612 HydrophobicContact SD-CB 4.03Å; M568-F612 HydrophobicContact SD-CD2 4.4Å; M568-I613 HydrophobicContact CG-CG1 4.14Å; M568-I613 HydrophobicContact SD-CD1 4.18Å; M568-I613 HydrophobicContact SD-CG1 3.84Å
569I97.8Very high94.9Very high9 Ų934.5 Ų34.55%0.04618%0.176CC..Hα-helixtrans-59-49.2178.8-72.3172.9000111K565 I571 V572 T573 F612 Q615 A616K565-I569 HydrophobicContact CD-CD1 4.49Å; K565-I569 HydrophobicContact CG-CD1 3.74Å; K565-I569 WeakPolarHBondContact O-CB 3.44Å; K565-I569 VanDerWaalsContact O-CG1 3.3Å; K565-I569 WeakPolarHBondContact O-CG1 3.22Å; K565-I569 PolarHBondContact O-N 2.91Å; I569-I571 PolarHBondContact O-N 3.31Å; I569-V572 PolarHBondContact O-N 2.94Å; I569-T573 VanDerWaalsContact O-CB 3.31Å; I569-T573 WeakPolarHBondContact O-CB 3.49Å; I569-T573 PolarHBondContact O-N 3.23Å; I569-T573 PolarHBondContact O-OG1 3.13Å; I569-F612 HydrophobicContact CG1-CB 4.14Å; I569-F612 WeakPolarHBondContact CG1-O 3.3Å; I569-Q615 HydrophobicContact CD1-CB 4.16Å; I569-Q615 HydrophobicContact CD1-CG 3.93Å; I569-A616 HydrophobicContact CB-CB 4.46Å; I569-A616 HydrophobicContact CG1-CB 4.47Å; I569-A616 HydrophobicContact CG2-CB 4.28Å
570G97.2Very high95.5Very high23 Ų2331.4 Ų31.424%0.23717%0.167CC..Hα-helixtrans-60.3-46.2179.800000112.5D566 M568 V572 T573 E574D566-G570 PolarHBondContact O-N 3.26Å; M568-G570 PolarHBondContact O-N 3.26Å; G570-V572 PolarHBondContact O-N 3.33Å; G570-T573 PolarHBondContact O-N 3.18Å; G570-E574 WeakPolarHBondContact O-CB 3.44Å; G570-E574 VanDerWaalsContact O-CG 3.32Å; G570-E574 WeakPolarHBondContact O-CG 3.38Å; G570-E574 PolarHBondContact O-N 3.49Å
571I97.8Very high95.9Very high0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-59.5-49.2178.2-72.6168.1000111.5F511 V536 A538 R552 R554 K567 M568 I569 T573 E574 F575F511-I571 HydrophobicContact CE1-CD1 4.48Å; F511-I571 HydrophobicContact CE1-CG2 3.98Å; F511-I571 HydrophobicContact CZ-CG2 4.23Å; V536-I571 HydrophobicContact CG1-CD1 4.13Å; A538-I571 HydrophobicContact CB-CD1 4.16Å; A538-I571 HydrophobicContact CB-CG2 3.51Å; R552-I571 HydrophobicContact CB-CG1 4.08Å; R552-I571 HydrophobicContact CB-CG2 4.17Å; R554-I571 HydrophobicContact CB-CD1 4.38Å; R554-I571 HydrophobicContact CG-CD1 3.75Å; R554-I571 HydrophobicContact CG-CG1 3.94Å; K567-I571 WeakPolarHBondContact O-CB 3.47Å; K567-I571 WeakPolarHBondContact O-CD1 3.22Å; K567-I571 WeakPolarHBondContact O-CG1 3.25Å; K567-I571 PolarHBondContact O-N 3.04Å; M568-I571 PolarHBondContact O-N 3.48Å; I569-I571 PolarHBondContact O-N 3.31Å; I571-T573 VanDerWaalsContact C-N 3.35Å; I571-E574 PolarHBondContact O-N 3.46Å; I571-F575 HydrophobicContact CG2-CD2 3.69Å; I571-F575 HydrophobicContact CG2-CE2 3.45Å; I571-F575 VanDerWaalsContact CG2-CE2 3.45Å; I571-F575 HydrophobicContact CG2-CZ 4.35Å; I571-F575 WeakPolarHBondContact O-CD2 3.34Å; I571-F575 PolarHBondContact O-N 2.6Å
572V98.5Very high96.3Very high1 Ų136.3 Ų36.31%0.00619%0.192CC..Hα-helixtrans-65.4-42.4-177.3174.50000110.4L509 F511 M568 I569 G570 E574 F575 L576 I613 A616 F617L509-V572 HydrophobicContact CD1-CG2 4.49Å; F511-V572 HydrophobicContact CZ-CG2 4.08Å; M568-V572 HydrophobicContact CG-CG2 4.44Å; M568-V572 WeakPolarHBondContact O-CG2 3.46Å; M568-V572 PolarHBondContact O-N 2.8Å; I569-V572 PolarHBondContact O-N 2.94Å; G570-V572 PolarHBondContact O-N 3.33Å; V572-E574 VanDerWaalsContact C-N 3.35Å; V572-E574 PolarHBondContact O-N 3.02Å; V572-F575 PolarHBondContact O-N 3.36Å; V572-L576 HydrophobicContact CG1-CD1 4.23Å; V572-L576 HydrophobicContact CG1-CG 4.49Å; V572-L576 WeakPolarHBondContact O-CG 3.19Å; V572-L576 PolarHBondContact O-N 3.15Å; V572-I613 HydrophobicContact CG2-CG1 4.23Å; V572-A616 HydrophobicContact CB-CB 3.71Å; V572-A616 HydrophobicContact CG1-CB 3.66Å; V572-F617 HydrophobicContact CG1-CD1 4.07Å; V572-F617 HydrophobicContact CG1-CE1 3.76Å
573T98.1Very high96.4Very high39 Ų3935 Ų3524%0.23919%0.185CC..Hα-helixtrans-59.7-44.6176.5-54.70000111.3I569 G570 I571 F575 L576 G577 Y620I569-T573 VanDerWaalsContact O-CB 3.31Å; I569-T573 WeakPolarHBondContact O-CB 3.49Å; I569-T573 PolarHBondContact O-N 3.23Å; I569-T573 PolarHBondContact O-OG1 3.13Å; G570-T573 PolarHBondContact O-N 3.18Å; I571-T573 VanDerWaalsContact C-N 3.35Å; T573-F575 PolarHBondContact O-N 3.02Å; T573-L576 PolarHBondContact O-N 2.85Å; T573-G577 PolarHBondContact O-N 3.44Å; T573-Y620 HydrophobicContact CG2-CD2 3.85Å
574E96.8Very high96.4Very high73 Ų7343.2 Ų43.234%0.34122%0.221SC..Hα-helixtrans-62.9-40.7175.9-76.3170-157.300112.6R552 R554 G570 I571 V572 G577 E578R552-E574 VanDerWaalsContact CD-OE2 3.24Å; R552-E574 WeakPolarHBondContact CD-OE2 3.4Å; R552-E574 IonicContact NE-OE2 3.82Å; R552-E574 PolarHBondContact NE-OE2 2.93Å; R552-E574 VanDerWaalsContact NE-OE2 3.07Å; R554-E574 IonicContact CZ-OE1 2.85Å; R554-E574 IonicContact CZ-OE2 3.24Å; R554-E574 IonicContact NH2-OE1 2.7Å; R554-E574 PolarHBondContact NH2-OE1 2.83Å; R554-E574 IonicContact NH2-OE2 2.78Å; R554-E574 PolarHBondContact NH2-OE2 3.44Å; G570-E574 WeakPolarHBondContact O-CB 3.44Å; G570-E574 VanDerWaalsContact O-CG 3.32Å; G570-E574 WeakPolarHBondContact O-CG 3.38Å; G570-E574 PolarHBondContact O-N 3.49Å; I571-E574 PolarHBondContact O-N 3.46Å; V572-E574 VanDerWaalsContact C-N 3.35Å; V572-E574 PolarHBondContact O-N 3.02Å; E574-G577 PolarHBondContact O-N 2.95Å; E574-E578 PolarHBondContact O-N 3.39Å
575F97.8Very high96.5Very high0 Ų043.1 Ų43.10%023%0.228CC..Hα-helixtrans-68.3-37.1176.9-75.3-39.4000113L509 A538 C540 R550 R552 I571 V572 T573 E578 Y579L509-F575 HydrophobicContact CD2-CD2 3.79Å; L509-F575 HydrophobicContact CD2-CE2 4.32Å; L509-F575 HydrophobicContact CD2-CG 4.45Å; A538-F575 HydrophobicContact CB-CE2 3.81Å; A538-F575 HydrophobicContact CB-CZ 4.27Å; C540-F575 HydrophobicContact CB-CB 3.95Å; C540-F575 HydrophobicContact CB-CD1 3.47Å; C540-F575 VanDerWaalsContact CB-CD1 3.47Å; C540-F575 HydrophobicContact CB-CD2 3.72Å; C540-F575 HydrophobicContact CB-CE1 3.74Å; C540-F575 HydrophobicContact CB-CE2 3.96Å; C540-F575 HydrophobicContact CB-CG 3.46Å; C540-F575 VanDerWaalsContact CB-CG 3.46Å; C540-F575 HydrophobicContact CB-CZ 3.98Å; R550-F575 HydrophobicContact CB-CE1 4.16Å; R550-F575 WeakPolarHBondContact O-CE1 3.33Å; R552-F575 HydrophobicContact CB-CE1 4.42Å; R552-F575 HydrophobicContact CB-CE2 4.47Å; R552-F575 HydrophobicContact CB-CZ 3.94Å; R552-F575 HydrophobicContact CG-CD1 4.25Å; R552-F575 HydrophobicContact CG-CE1 3.6Å; R552-F575 HydrophobicContact CG-CE2 4.27Å; R552-F575 HydrophobicContact CG-CZ 3.61Å; I571-F575 HydrophobicContact CG2-CD2 3.69Å; I571-F575 HydrophobicContact CG2-CE2 3.45Å; I571-F575 VanDerWaalsContact CG2-CE2 3.45Å; I571-F575 HydrophobicContact CG2-CZ 4.35Å; I571-F575 WeakPolarHBondContact O-CD2 3.34Å; I571-F575 PolarHBondContact O-N 2.6Å; V572-F575 PolarHBondContact O-N 3.36Å; T573-F575 PolarHBondContact O-N 3.02Å; F575-E578 PolarHBondContact O-N 3.03Å; F575-Y579 WeakPolarHBondContact O-CB 3.33Å; F575-Y579 PolarHBondContact O-N 2.98Å
576L98Very high96.5Very high0 Ų040.4 Ų40.40%022%0.217CC..Hα-helixtrans-62-45.1173.3-71.3170.3000111.3M507 V572 T573 E578 Y579 E580 L586 P587 F617 Y620 Y624M507-L576 HydrophobicContact CE-CD2 4.02Å; M507-L576 HydrophobicContact SD-CD2 4.43Å; V572-L576 HydrophobicContact CG1-CD1 4.23Å; V572-L576 HydrophobicContact CG1-CG 4.49Å; V572-L576 WeakPolarHBondContact O-CG 3.19Å; V572-L576 PolarHBondContact O-N 3.15Å; T573-L576 PolarHBondContact O-N 2.85Å; L576-E578 PolarHBondContact O-N 3.21Å; L576-Y579 PolarHBondContact O-N 2.75Å; L576-E580 WeakPolarHBondContact O-CB 3.48Å; L576-E580 PolarHBondContact O-N 3.06Å; L576-L586 HydrophobicContact CB-CD2 4.26Å; L576-L586 HydrophobicContact CD2-CD2 4.14Å; L576-P587 HydrophobicContact CD2-CG 4.06Å; L576-F617 HydrophobicContact CD1-CD1 3.93Å; L576-F617 HydrophobicContact CD1-CE1 4.47Å; L576-Y620 HydrophobicContact CB-CD1 4.16Å; L576-Y620 HydrophobicContact CB-CD2 3.86Å; L576-Y620 HydrophobicContact CB-CE1 4.34Å; L576-Y620 HydrophobicContact CB-CE2 4.02Å; L576-Y620 HydrophobicContact CB-CG 3.94Å; L576-Y620 HydrophobicContact CD1-CD1 4.36Å; L576-Y620 HydrophobicContact CD1-CD2 4.43Å; L576-Y620 HydrophobicContact CD1-CG 3.92Å; L576-Y624 HydrophobicContact CD1-CE1 4.07Å; L576-Y624 HydrophobicContact CD2-CE1 3.75Å
577G96.9Very high96.6Very high21 Ų2134.9 Ų34.922%0.21619%0.188CC..Hα-helixtrans-57.3-49.6175.200000112.9T573 E574 Q581 Y620T573-G577 PolarHBondContact O-N 3.44Å; E574-G577 PolarHBondContact O-N 2.95Å; G577-Q581 WeakPolarHBondContact O-CB 3.44Å; G577-Q581 PolarHBondContact O-N 3.5Å; G577-Y620 WeakPolarHBondContact CA-OH 3.45Å
578E96Very high96.7Very high14 Ų1438.2 Ų38.27%0.06521%0.21CC..Hα-helixtrans-67.3-37.1178.5-172.1166.8-173.400112R550 R552 E574 F575 L576 N582R550-E578 WeakPolarHBondContact CD-OE1 3.37Å; R550-E578 WeakPolarHBondContact CG-OE1 3.32Å; R550-E578 IonicContact NE-OE1 2.86Å; R550-E578 PolarHBondContact NE-OE1 2.87Å; R550-E578 VanDerWaalsContact NE-OE1 3.15Å; R552-E578 IonicContact CZ-OE2 3.15Å; R552-E578 IonicContact NH1-OE2 3.7Å; R552-E578 PolarHBondContact NH1-OE2 3.36Å; R552-E578 IonicContact NH2-OE2 3.53Å; R552-E578 PolarHBondContact NH2-OE2 3.29Å; E574-E578 PolarHBondContact O-N 3.39Å; F575-E578 PolarHBondContact O-N 3.03Å; L576-E578 PolarHBondContact O-N 3.21Å; E578-N582 WeakPolarHBondContact CG-ND2 3.32Å; E578-N582 WeakPolarHBondContact O-CB 3.32Å; E578-N582 VanDerWaalsContact O-CG 3.26Å; E578-N582 PolarHBondContact O-N 3.28Å; E578-N582 PolarHBondContact O-ND2 3.34Å
579Y96.6Very high96.7Very high5 Ų538.8 Ų38.82%0.0221%0.214CC..Hα-helixtrans-63.2-49.7176.4-168.1-76.4000111.3G505 M507 C542 F575 L576 Q581 N582 N583 A585 P587G505-Y579 WeakPolarHBondContact CA-OH 3.45Å; G505-Y579 PolarHBondContact N-OH 3.09Å; M507-Y579 HydrophobicContact CB-CE2 4.23Å; M507-Y579 HydrophobicContact CE-CD2 3.53Å; M507-Y579 HydrophobicContact CE-CE2 4.39Å; M507-Y579 HydrophobicContact CE-CG 3.67Å; C542-Y579 HydrophobicContact CB-CD2 3.77Å; C542-Y579 HydrophobicContact CB-CG 4.17Å; F575-Y579 WeakPolarHBondContact O-CB 3.33Å; F575-Y579 PolarHBondContact O-N 2.98Å; L576-Y579 PolarHBondContact O-N 2.75Å; Y579-Q581 PolarHBondContact O-N 3.1Å; Y579-N582 PolarHBondContact O-N 3.05Å; Y579-N583 HydrophobicContact CD1-CB 4.07Å; Y579-N583 HydrophobicContact CE1-CB 3.86Å; Y579-N583 VanDerWaalsContact O-CB 3.27Å; Y579-N583 WeakPolarHBondContact O-CB 3.2Å; Y579-N583 PolarHBondContact O-N 2.91Å; Y579-N583 PolarHBondContact O-ND2 3.12Å; Y579-N583 VanDerWaalsContact O-ND2 3.08Å; Y579-A585 VanDerWaalsContact CD1-O 3.25Å; Y579-A585 WeakPolarHBondContact CD1-O 3.29Å; Y579-A585 WeakPolarHBondContact CE1-O 3.36Å; Y579-P587 HydrophobicContact CD1-CG 4.35Å; Y579-P587 HydrophobicContact CE1-CB 4.09Å; Y579-P587 HydrophobicContact CE1-CG 4.36Å
580E96.3Very high96.7Very high68 Ų6838.3 Ų38.332%0.31821%0.211SC..Hα-helixtrans-63-42.6179.2-174.8172.6-136.900111.1L576 N582 K584 L586 Y620L576-E580 WeakPolarHBondContact O-CB 3.48Å; L576-E580 PolarHBondContact O-N 3.06Å; E580-N582 VanDerWaalsContact C-N 3.33Å; E580-N582 PolarHBondContact O-N 3.38Å; E580-K584 WeakPolarHBondContact O-CA 3.37Å; E580-K584 PolarHBondContact O-N 3.38Å; E580-L586 HydrophobicContact CB-CD2 3.93Å; E580-L586 HydrophobicContact CB-CG 4.34Å; E580-L586 HydrophobicContact CG-CD2 4.43Å; E580-L586 HydrophobicContact CG-CG 4.35Å; E580-Y620 WeakPolarHBondContact OE2-CE1 3.38Å; E580-Y620 PolarHBondContact OE2-OH 3.09Å
581Q95.5Very high96.8Very high109 Ų10937.2 Ų37.251%0.50920%0.2SC..Hα-helixtrans-59.1-44.4177.1-175.2178.421.800112.2G577 Y579 K584G577-Q581 WeakPolarHBondContact O-CB 3.44Å; G577-Q581 PolarHBondContact O-N 3.5Å; Y579-Q581 PolarHBondContact O-N 3.1Å; Q581-K584 WeakPolarHBondContact O-CE 3.48Å; Q581-K584 PolarHBondContact O-NZ 3.48Å
582N94.1Very high96.8Very high63 Ų6337.2 Ų37.234%0.33720%0.2SC..Hα-helixtrans-82.4-34.7-174.8-69.1-23.2000113.1C542 E578 Y579 E580C542-N582 WeakPolarHBondContact O-CB 3.35Å; C542-N582 PolarHBondContact O-ND2 2.87Å; E578-N582 WeakPolarHBondContact CG-ND2 3.32Å; E578-N582 WeakPolarHBondContact O-CB 3.32Å; E578-N582 VanDerWaalsContact O-CG 3.26Å; E578-N582 PolarHBondContact O-N 3.28Å; E578-N582 PolarHBondContact O-ND2 3.34Å; Y579-N582 PolarHBondContact O-N 3.05Å; E580-N582 VanDerWaalsContact C-N 3.33Å; E580-N582 PolarHBondContact O-N 3.38Å
583N93.2Very high96.8Very high35 Ų3537.2 Ų37.219%0.18720%0.2CC..Hα-helixtrans-104.3-8.1-173.7-65.2-81.2000114Y579 A585Y579-N583 HydrophobicContact CD1-CB 4.07Å; Y579-N583 HydrophobicContact CE1-CB 3.86Å; Y579-N583 VanDerWaalsContact O-CB 3.27Å; Y579-N583 WeakPolarHBondContact O-CB 3.2Å; Y579-N583 PolarHBondContact O-N 2.91Å; Y579-N583 PolarHBondContact O-ND2 3.12Å; Y579-N583 VanDerWaalsContact O-ND2 3.08Å; N583-A585 PolarHBondContact O-N 2.77Å
584K94.8Very high96.8Very high172 Ų17235.3 Ų35.375%0.74819%0.189SC*.SBendtrans61.316.7-177.5-48.9-54.2-177.9-165.20114.4E580 Q581E580-K584 WeakPolarHBondContact O-CA 3.37Å; E580-K584 PolarHBondContact O-N 3.38Å; Q581-K584 WeakPolarHBondContact O-CE 3.48Å; Q581-K584 PolarHBondContact O-NZ 3.48Å
585A95.2Very high96.7Very high53 Ų5332.8 Ų32.844%0.43818%0.177SC..SBendtrans-155.4151.9176.900000109.3Y579 N583Y579-A585 VanDerWaalsContact CD1-O 3.25Å; Y579-A585 WeakPolarHBondContact CD1-O 3.29Å; Y579-A585 WeakPolarHBondContact CE1-O 3.36Å; N583-A585 PolarHBondContact O-N 2.77Å
586L97.1Very high95.8Very high25 Ų2535 Ų3513%0.13120%0.199CC..  trans-79.4151.4168.7-72.4167.1000110.7L576 E580 Y620 K621 Y624L576-L586 HydrophobicContact CB-CD2 4.26Å; L576-L586 HydrophobicContact CD2-CD2 4.14Å; E580-L586 HydrophobicContact CB-CD2 3.93Å; E580-L586 HydrophobicContact CB-CG 4.34Å; E580-L586 HydrophobicContact CG-CD2 4.43Å; E580-L586 HydrophobicContact CG-CG 4.35Å; L586-Y620 HydrophobicContact CD1-CD1 4.24Å; L586-Y620 HydrophobicContact CD1-CE1 4.06Å; L586-Y620 HydrophobicContact CD2-CD1 4.03Å; L586-Y620 HydrophobicContact CD2-CE1 3.59Å; L586-Y620 HydrophobicContact CG-CE1 4.35Å; L586-K621 HydrophobicContact CD1-CD 4.13Å; L586-Y624 HydrophobicContact CB-CD2 4.41Å; L586-Y624 HydrophobicContact CB-CE2 3.76Å; L586-Y624 HydrophobicContact CD1-CD2 4.03Å; L586-Y624 HydrophobicContact CD1-CE2 4.17Å; L586-Y624 HydrophobicContact CD1-CG 4.23Å
587P97.5Very high95.3Very high0 Ų035 Ų350%020%0.2CC..  trans-68.3144.9176.627.6-30.3000110.7G505 M507 L576 Y579 V590 Y624G505-P587 CarbonylContact O-C 3.54Å; G505-P587 VanDerWaalsContact O-CA 3.25Å; G505-P587 WeakPolarHBondContact O-CA 3.49Å; G505-P587 WeakPolarHBondContact O-CB 3.11Å; M507-P587 HydrophobicContact CB-CB 3.67Å; M507-P587 HydrophobicContact CB-CG 3.79Å; M507-P587 HydrophobicContact CE-CG 3.78Å; M507-P587 HydrophobicContact CG-CG 4.5Å; M507-P587 HydrophobicContact SD-CG 4.05Å; L576-P587 HydrophobicContact CD2-CG 4.06Å; Y579-P587 HydrophobicContact CD1-CG 4.35Å; Y579-P587 HydrophobicContact CE1-CB 4.09Å; Y579-P587 HydrophobicContact CE1-CG 4.36Å; P587-V590 HydrophobicContact CG-CG2 4.25Å; P587-Y624 VanDerWaalsContact CD-OH 3.27Å; P587-Y624 WeakPolarHBondContact CD-OH 3.36Å; P587-Y624 VanDerWaalsContact CG-OH 3.24Å; P587-Y624 WeakPolarHBondContact CG-OH 3.37Å; P587-Y624 VanDerWaalsContact O-CE2 3.29Å; P587-Y624 WeakPolarHBondContact O-CE2 3.28Å; P587-Y624 PolarHBondContact O-OH 2.66Å
588T97.6Very high94.7Very high92 Ų9235.9 Ų35.956%0.56421%0.205SC*.SBendtrans-93.9-21.8174.651.30000111.9G505 P626 K627G505-T588 PolarHBondContact O-N 3.33Å; G505-T588 PolarHBondContact O-OG1 2.83Å; T588-P626 WeakPolarHBondContact O-CB 3.46Å; T588-K627 PolarHBondContact O-N 3.34Å
589S98.2Very high94.2Very high12 Ų1240 Ų408%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-129.7129.5176.5-69.50000110.3G505 V506 M507 K627 N699G505-S589 PolarHBondContact O-N 2.96Å; V506-S589 WeakPolarHBondContact CA-O 3.46Å; M507-S589 PolarHBondContact N-O 3.33Å; S589-K627 CarbonylContact C-O 3.55Å; S589-K627 WeakPolarHBondContact CA-O 3.49Å; S589-N699 VanDerWaalsContact CB-OD1 3.23Å; S589-N699 WeakPolarHBondContact CB-OD1 3.28Å; S589-N699 PolarHBondContact OG-OD1 2.83Å
590V98.4Very high93.5Very high0 Ų046.5 Ų46.50%026%0.263CS..EExtended strand (participates in β ladder)trans-117.7125.9175.5-177.30000108.8M507 L509 P587 V592 F617 P626 K627 L628 T629M507-V590 HydrophobicContact CB-CG2 4.33Å; M507-V590 WeakPolarHBondContact O-CA 3.42Å; M507-V590 HydrophobicContact SD-CG1 4.45Å; M507-V590 HydrophobicContact SD-CG2 4.41Å; L509-V590 HydrophobicContact CD1-CG1 3.72Å; L509-V590 HydrophobicContact CG-CG1 4.2Å; P587-V590 HydrophobicContact CG-CG2 4.25Å; V590-V592 HydrophobicContact CG1-CG2 4.09Å; V590-F617 HydrophobicContact CB-CZ 4.11Å; V590-F617 HydrophobicContact CG1-CZ 4.15Å; V590-F617 HydrophobicContact CG2-CE1 4.31Å; V590-F617 HydrophobicContact CG2-CZ 3.85Å; V590-P626 HydrophobicContact CG2-CB 4.11Å; V590-P626 HydrophobicContact CG2-CG 3.91Å; V590-K627 PolarHBondContact N-O 3.26Å; V590-L628 HydrophobicContact CB-CD1 4.06Å; V590-L628 HydrophobicContact CG1-CD1 3.99Å; V590-L628 CarbonylContact O-C 3.19Å; V590-L628 WeakPolarHBondContact O-CA 3.49Å; V590-T629 PolarHBondContact O-N 3.4Å
591I98.6Very high93Very high0 Ų046 Ų460%026%0.26CS..EExtended strand (participates in β ladder)trans-122.1117.1-179.4-55.7165.1000107.7W501 V506 M507 F508 L509 Y593 F701 L709W501-I591 HydrophobicContact CE3-CD1 4.28Å; V506-I591 HydrophobicContact CG1-CD1 3.73Å; V506-I591 HydrophobicContact CG1-CG1 4.46Å; M507-I591 PolarHBondContact O-N 2.76Å; F508-I591 WeakPolarHBondContact CA-O 3.39Å; F508-I591 HydrophobicContact CD1-CB 4.09Å; F508-I591 HydrophobicContact CD1-CD1 4.34Å; F508-I591 HydrophobicContact CD1-CG2 4.38Å; F508-I591 HydrophobicContact CE1-CB 4.16Å; F508-I591 HydrophobicContact CE1-CD1 3.59Å; F508-I591 HydrophobicContact CE1-CG1 4.46Å; F508-I591 HydrophobicContact CE1-CG2 4.4Å; F508-I591 HydrophobicContact CZ-CD1 3.93Å; L509-I591 PolarHBondContact N-O 3.38Å; I591-Y593 HydrophobicContact CG2-CD2 4.29Å; I591-Y593 HydrophobicContact CG2-CE2 3.68Å; I591-F701 HydrophobicContact CD1-CE2 4.03Å; I591-F701 HydrophobicContact CD1-CZ 3.62Å; I591-F701 HydrophobicContact CG1-CE2 4.21Å; I591-F701 HydrophobicContact CG1-CZ 4.31Å; I591-L709 HydrophobicContact CD1-CD2 3.79Å
592V98.5Very high92.7Very high0 Ų041.8 Ų41.80%024%0.24CC..EExtended strand (participates in β ladder)trans-107.5127.4-173.9-174.30000109.7L509 F511 V590 I613 L628 T629 M630 V631L509-V592 HydrophobicContact CB-CB 4.48Å; L509-V592 HydrophobicContact CB-CG1 4.33Å; L509-V592 HydrophobicContact CB-CG2 4.14Å; L509-V592 HydrophobicContact CD1-CG2 4.2Å; L509-V592 CarbonylContact O-C 3.59Å; L509-V592 WeakPolarHBondContact O-CA 3.15Å; F511-V592 HydrophobicContact CD2-CG1 3.81Å; F511-V592 HydrophobicContact CE2-CG1 4.1Å; V590-V592 HydrophobicContact CG1-CG2 4.09Å; V592-I613 HydrophobicContact CG2-CD1 4.19Å; V592-L628 HydrophobicContact CG2-CD1 3.74Å; V592-T629 PolarHBondContact N-O 3.16Å; V592-M630 HydrophobicContact CB-SD 3.49Å; V592-M630 WeakPolarHBondContact CB-SD 3.39Å; V592-M630 HydrophobicContact CG1-CE 3.96Å; V592-M630 HydrophobicContact CG1-SD 3.45Å; V592-M630 WeakPolarHBondContact CG1-SD 3.47Å; V592-M630 HydrophobicContact CG2-SD 4.21Å; V592-V631 PolarHBondContact O-N 3.11Å
593Y98.4Very high92.5Very high0 Ų042.2 Ų42.20%025%0.248CC..EExtended strand (participates in β ladder)trans-108.2111.2170.6-70.1-92.4000110.3F508 L509 G510 F511 I591 V631 V633 Y692 S710 L713 P727 P729 V730F508-Y593 HydrophobicContact CD1-CE2 4.1Å; L509-Y593 PolarHBondContact O-N 3.08Å; G510-Y593 VanDerWaalsContact CA-O 3.3Å; G510-Y593 WeakPolarHBondContact CA-O 3.42Å; F511-Y593 PolarHBondContact N-O 3.37Å; I591-Y593 HydrophobicContact CG2-CD2 4.29Å; I591-Y593 HydrophobicContact CG2-CE2 3.68Å; Y593-V631 CarbonylContact C-O 3.54Å; Y593-V631 VanDerWaalsContact CA-O 3.3Å; Y593-V631 WeakPolarHBondContact CA-O 3.3Å; Y593-V631 HydrophobicContact CD1-CB 4.04Å; Y593-V631 HydrophobicContact CD1-CG1 4.13Å; Y593-V631 HydrophobicContact CE1-CB 4.17Å; Y593-V631 HydrophobicContact CE1-CG1 4.09Å; Y593-V631 HydrophobicContact CE1-CG2 4.49Å; Y593-V633 HydrophobicContact CD1-CG2 3.64Å; Y593-V633 HydrophobicContact CG-CG2 4.5Å; Y593-Y692 HydrophobicContact CD1-CE1 4.45Å; Y593-Y692 HydrophobicContact CE1-CD1 4.24Å; Y593-Y692 HydrophobicContact CE1-CE1 4.12Å; Y593-S710 PolarHBondContact OH-OG 3.08Å; Y593-L713 HydrophobicContact CD2-CD1 4.29Å; Y593-L713 HydrophobicContact CE2-CD1 3.39Å; Y593-L713 WeakPolarHBondContact OH-CD1 3.41Å; Y593-P727 HydrophobicContact CD1-CB 4.47Å; Y593-P727 HydrophobicContact CD1-CG 4.02Å; Y593-P727 HydrophobicContact CE1-CG 4Å; Y593-P729 HydrophobicContact CD2-CG 4.46Å; Y593-V730 HydrophobicContact CG-CG2 4.35Å
594R97Very high92.3Very high0 Ų042.4 Ų42.40%025%0.248CC..EExtended strand (participates in β ladder)trans-101.5117.8179.8-179.863.4172.190.5-0.2110.5E561 V597 E609 M630 V631 V632 V633E561-R594 PolarHBondContact O-NH2 3.39Å; E561-R594 IonicContact OE1-CZ 3.91Å; E561-R594 IonicContact OE1-NH1 3.93Å; E561-R594 PolarHBondContact OE1-NH1 3.26Å; E561-R594 IonicContact OE1-NH2 3.59Å; E561-R594 PolarHBondContact OE1-NH2 2.9Å; R594-V597 HydrophobicContact CG-CG2 3.65Å; R594-V597 VanDerWaalsContact CZ-CG2 3.44Å; R594-E609 IonicContact NE-OE1 3.98Å; R594-E609 IonicContact NE-OE2 2.77Å; R594-E609 PolarHBondContact NE-OE2 3.44Å; R594-E609 IonicContact NH2-OE1 2.77Å; R594-M630 HydrophobicContact CB-CE 3.86Å; R594-M630 HydrophobicContact CG-CE 4.32Å; R594-V631 PolarHBondContact N-O 3.23Å; R594-V632 HydrophobicContact CB-CG2 4.36Å; R594-V632 CarbonylContact O-C 3.49Å; R594-V632 WeakPolarHBondContact O-CA 3.4Å; R594-V633 PolarHBondContact O-N 3.33Å
595D94.5Very high92Very high20 Ų2034.2 Ų34.211%0.10721%0.213CC..EExtended strand (participates in β ladder)trans-79.8148.5179.9-1637000112.1F511 D512 V597 V730F511-D595 PolarHBondContact O-N 2.76Å; D512-D595 HydrophobicContact CB-CB 4.24Å; D595-V597 VanDerWaalsContact C-N 3.31Å; D595-V597 PolarHBondContact O-N 3.11Å; D595-V597 VanDerWaalsContact O-N 3.12Å; D595-V730 HydrophobicContact CB-CG1 3.68Å
596G79.8Confident91.7Very high45 Ų4534.9 Ų34.946%0.46421%0.206SC..SBendtrans76.82.3151.400000117.9V633G596-V633 PolarHBondContact N-O 3.32Å
597V87.2Confident91.3Very high1 Ų137.7 Ų37.71%0.00622%0.218CC..  trans-76.8133.2178.8-177.30000110.3R594 D595 Q601 F602 V605 V632 Q634R594-V597 HydrophobicContact CG-CG2 3.65Å; R594-V597 VanDerWaalsContact CZ-CG2 3.44Å; D595-V597 VanDerWaalsContact C-N 3.31Å; D595-V597 PolarHBondContact O-N 3.11Å; D595-V597 VanDerWaalsContact O-N 3.12Å; V597-Q601 HydrophobicContact CG1-CB 3.4Å; V597-Q601 VanDerWaalsContact CG1-CB 3.4Å; V597-F602 HydrophobicContact CG1-CD1 4.23Å; V597-V605 HydrophobicContact CB-CG2 4.29Å; V597-V605 HydrophobicContact CG1-CG2 3.73Å; V597-V605 HydrophobicContact CG2-CG2 3.92Å; V597-V632 HydrophobicContact CB-CG1 4.17Å; V597-Q634 WeakPolarHBondContact O-CG 3.43Å; V597-Q634 PolarHBondContact O-NE2 2.89Å
598A85.1Confident91Very high40 Ų4040 Ų4033%0.33123%0.233SC..  trans-79.3157175.600000111.8N600 Q601 F602A598-N600 VanDerWaalsContact CB-OD1 3.31Å; A598-N600 WeakPolarHBondContact CB-OD1 3.3Å; A598-N600 PolarHBondContact O-N 2.93Å; A598-N600 VanDerWaalsContact O-N 3.16Å; A598-Q601 VanDerWaalsContact N-OE1 3.13Å; A598-Q601 WeakPolarHBondContact O-CA 3.41Å; A598-Q601 WeakPolarHBondContact O-CB 3.27Å; A598-Q601 PolarHBondContact O-N 3.11Å; A598-F602 WeakPolarHBondContact O-CD1 3.32Å
599D84.9Confident90.9Very high101 Ų10135.7 Ų35.754%0.5421%0.206SC..G310 helixtrans-56.3-38.8-173.3-532.4000112.7Q601 F602 Q634D599-Q601 PolarHBondContact O-N 3.39Å; D599-Q601 VanDerWaalsContact O-N 3.1Å; D599-F602 HydrophobicContact CB-CE2 4.27Å; D599-F602 HydrophobicContact CB-CZ 4.28Å; D599-F602 WeakPolarHBondContact O-CB 3.31Å; D599-F602 WeakPolarHBondContact O-CG 3.48Å; D599-F602 PolarHBondContact O-N 2.88Å; D599-F602 VanDerWaalsContact O-N 3.15Å; D599-Q634 PolarHBondContact OD1-NE2 3.27Å
600N81Confident90.8Very high140 Ų14036 Ų3675%0.74921%0.206SC*.G310 helixtrans-67.4-8.8177.470.9-38.9000114A598A598-N600 VanDerWaalsContact CB-OD1 3.31Å; A598-N600 WeakPolarHBondContact CB-OD1 3.3Å; A598-N600 PolarHBondContact O-N 2.93Å; A598-N600 VanDerWaalsContact O-N 3.16Å
601Q85.8Confident90.6Very high57 Ų5743.8 Ų43.827%0.26624%0.236SC..G310 helixtrans-107-1.3178.4-63.3171.6-47.600112.5V597 A598 D599 S603 M604 V605V597-Q601 HydrophobicContact CG1-CB 3.4Å; V597-Q601 VanDerWaalsContact CG1-CB 3.4Å; A598-Q601 VanDerWaalsContact N-OE1 3.13Å; A598-Q601 WeakPolarHBondContact O-CA 3.41Å; A598-Q601 WeakPolarHBondContact O-CB 3.27Å; A598-Q601 PolarHBondContact O-N 3.11Å; D599-Q601 PolarHBondContact O-N 3.39Å; D599-Q601 VanDerWaalsContact O-N 3.1Å; Q601-S603 PolarHBondContact O-N 2.9Å; Q601-M604 HydrophobicContact CB-CE 4.48Å; Q601-M604 WeakPolarHBondContact O-CB 3.37Å; Q601-M604 PolarHBondContact O-N 2.86Å; Q601-V605 PolarHBondContact O-N 2.81Å
602F90.8Very high90.6Very high22 Ų2245.3 Ų45.310%0.09624%0.242CC..Hα-helixtrans-57.9-38.4178.2-70.8-1.8000112.3V597 A598 D599 M604 V605 F606 V632 L672 T693 L695V597-F602 HydrophobicContact CG1-CD1 4.23Å; A598-F602 WeakPolarHBondContact O-CD1 3.32Å; D599-F602 HydrophobicContact CB-CE2 4.27Å; D599-F602 HydrophobicContact CB-CZ 4.28Å; D599-F602 WeakPolarHBondContact O-CB 3.31Å; D599-F602 WeakPolarHBondContact O-CG 3.48Å; D599-F602 PolarHBondContact O-N 2.88Å; D599-F602 VanDerWaalsContact O-N 3.15Å; F602-M604 VanDerWaalsContact C-N 3.25Å; F602-M604 PolarHBondContact O-N 3.43Å; F602-V605 PolarHBondContact O-N 3.46Å; F602-V605 VanDerWaalsContact O-N 3.17Å; F602-F606 WeakPolarHBondContact O-CB 3.32Å; F602-F606 PolarHBondContact O-N 3.47Å; F602-V632 HydrophobicContact CE1-CB 4.31Å; F602-V632 HydrophobicContact CE1-CG1 3.78Å; F602-V632 HydrophobicContact CE1-CG2 4.49Å; F602-V632 HydrophobicContact CZ-CG1 4.38Å; F602-L672 HydrophobicContact CD2-CD1 4.08Å; F602-L672 HydrophobicContact CE2-CD1 4.06Å; F602-T693 HydrophobicContact CD2-CG2 4.4Å; F602-T693 HydrophobicContact CE2-CG2 3.88Å; F602-T693 HydrophobicContact CZ-CG2 4.47Å; F602-L695 HydrophobicContact CB-CD1 4.16Å; F602-L695 HydrophobicContact CB-CD2 3.94Å; F602-L695 HydrophobicContact CD2-CD2 3.77Å; F602-L695 HydrophobicContact CE2-CD2 4.42Å; F602-L695 HydrophobicContact CG-CD1 4.35Å; F602-L695 HydrophobicContact CG-CD2 3.88Å
603S88.4Confident90.5Very high71 Ų7145.3 Ų45.350%0.49724%0.242SC..Hα-helixtrans-60-36.3176.2-176.10000112.4Q601 H607Q601-S603 PolarHBondContact O-N 2.9Å; S603-H607 VanDerWaalsContact O-CB 3.3Å; S603-H607 WeakPolarHBondContact O-CB 3.44Å; S603-H607 PolarHBondContact O-N 2.88Å; S603-H607 PolarHBondContact O-ND1 2.91Å; S603-H607 PolarHBondContact OG-ND1 3.47Å
604M89.6Confident90.5Very high39 Ų3946.9 Ų46.919%0.19225%0.251CS..Hα-helixtrans-66.7-46175.6174.4-77.9-66.700110.8N562 Q601 F602 F606 T608 E609N562-M604 HydrophobicContact CB-CE 3.71Å; N562-M604 HydrophobicContact CB-CG 3.78Å; N562-M604 HydrophobicContact CB-SD 3.35Å; N562-M604 WeakPolarHBondContact CB-SD 3.47Å; Q601-M604 HydrophobicContact CB-CE 4.48Å; Q601-M604 WeakPolarHBondContact O-CB 3.37Å; Q601-M604 PolarHBondContact O-N 2.86Å; F602-M604 VanDerWaalsContact C-N 3.25Å; F602-M604 PolarHBondContact O-N 3.43Å; M604-F606 VanDerWaalsContact C-N 3.33Å; M604-F606 PolarHBondContact O-N 3.37Å; M604-T608 WeakPolarHBondContact O-CA 3.41Å; M604-T608 WeakPolarHBondContact O-CB 3.31Å; M604-T608 PolarHBondContact O-N 3.44Å; M604-T608 PolarHBondContact O-OG1 2.97Å; M604-E609 PolarHBondContact O-N 2.89Å; M604-E609 HydrophobicContact SD-CG 3.9Å
605V88.6Confident90.5Very high0 Ų049.7 Ų49.70%026%0.264CS..Iπ-helixtrans-60.4-46.2178.5177.90000110.8V597 Q601 F602 E609 M610 M630 V632 L695V597-V605 HydrophobicContact CB-CG2 4.29Å; V597-V605 HydrophobicContact CG1-CG2 3.73Å; V597-V605 HydrophobicContact CG2-CG2 3.92Å; Q601-V605 PolarHBondContact O-N 2.81Å; F602-V605 PolarHBondContact O-N 3.46Å; F602-V605 VanDerWaalsContact O-N 3.17Å; V605-E609 WeakPolarHBondContact O-CB 3.34Å; V605-E609 PolarHBondContact O-N 2.8Å; V605-M610 PolarHBondContact O-N 2.92Å; V605-M610 VanDerWaalsContact O-N 3.1Å; V605-M630 HydrophobicContact CG1-CE 3.22Å; V605-M630 HydrophobicContact CG1-CG 4.12Å; V605-M630 HydrophobicContact CG1-SD 4.49Å; V605-V632 HydrophobicContact CG1-CG2 4.36Å; V605-L695 HydrophobicContact CB-CD1 3.97Å; V605-L695 HydrophobicContact CG1-CD1 3.86Å
606F89Confident90.6Very high67 Ų6748.7 Ų48.729%0.29426%0.259SS..Iπ-helixtrans-67.7-52.2-179.2-176.3-95.8000113F602 M604 M610 L695 Y696F602-F606 WeakPolarHBondContact O-CB 3.32Å; F602-F606 PolarHBondContact O-N 3.47Å; M604-F606 VanDerWaalsContact C-N 3.33Å; M604-F606 PolarHBondContact O-N 3.37Å; F606-M610 HydrophobicContact CD2-SD 4.49Å; F606-M610 HydrophobicContact CE2-CE 4.33Å; F606-M610 HydrophobicContact CE2-SD 4.46Å; F606-M610 HydrophobicContact CZ-CE 4.4Å; F606-M610 VanDerWaalsContact O-CB 3.28Å; F606-M610 WeakPolarHBondContact O-CB 3.47Å; F606-L695 HydrophobicContact CD2-CB 4.36Å; F606-L695 VanDerWaalsContact CD2-O 3.26Å; F606-L695 WeakPolarHBondContact CD2-O 3.33Å; F606-L695 VanDerWaalsContact CE2-O 3.22Å; F606-L695 WeakPolarHBondContact CE2-O 3.35Å; F606-Y696 AromaticContact CE2-CD2 3.71Å; F606-Y696 HydrophobicContact CE2-CD2 3.71Å; F606-Y696 HydrophobicContact CE2-CG 4.25Å; F606-Y696 HydrophobicContact CZ-CD2 4.26Å
607H87.8Confident91.5Very high85 Ų8546.7 Ų46.739%0.39424%0.237SC..Iπ-helixtrans-81.4-20.1-174-67100.4000113.9S603 R611S603-H607 VanDerWaalsContact O-CB 3.3Å; S603-H607 WeakPolarHBondContact O-CB 3.44Å; S603-H607 PolarHBondContact O-N 2.88Å; S603-H607 PolarHBondContact O-ND1 2.91Å; S603-H607 PolarHBondContact OG-ND1 3.47Å; H607-R611 WeakPolarHBondContact O-CD 3.33Å; H607-R611 VanDerWaalsContact O-CG 3.25Å; H607-R611 WeakPolarHBondContact O-CG 3.29Å; H607-R611 PolarHBondContact O-NE 2.94Å
608T92.8Very high92Very high49 Ų4954.6 Ų54.630%0.30127%0.267SS..Iπ-helixtrans-115.8-65.9-171.2-51.30000111.2M604 M610 R611 F612M604-T608 WeakPolarHBondContact O-CA 3.41Å; M604-T608 WeakPolarHBondContact O-CB 3.31Å; M604-T608 PolarHBondContact O-N 3.44Å; M604-T608 PolarHBondContact O-OG1 2.97Å; T608-M610 PolarHBondContact O-N 3.47Å; T608-R611 WeakPolarHBondContact O-CB 3.41Å; T608-R611 PolarHBondContact O-N 3.04Å; T608-R611 VanDerWaalsContact O-N 3.07Å; T608-F612 HydrophobicContact CG2-CD2 4.22Å; T608-F612 HydrophobicContact CG2-CE1 4.04Å; T608-F612 HydrophobicContact CG2-CE2 3.34Å; T608-F612 HydrophobicContact CG2-CZ 3.22Å; T608-F612 WeakPolarHBondContact O-CD1 3.45Å; T608-F612 WeakPolarHBondContact O-CG 3.4Å; T608-F612 PolarHBondContact O-N 3.35Å; T608-F612 VanDerWaalsContact O-N 3.12Å
609E95.5Very high92.6Very high0 Ų058.1 Ų58.10%028%0.276CS..Iπ-helixtrans-60.6-43.1-175.1-65.1-173.8179.200111.7I563 M568 R594 M604 V605 R611 F612 I613I563-E609 PolarHBondContact N-OE1 3.44Å; I563-E609 VanDerWaalsContact N-OE1 3.13Å; M568-E609 HydrophobicContact CE-CB 3.97Å; M568-E609 HydrophobicContact CE-CG 4.07Å; M568-E609 HydrophobicContact SD-CB 3.68Å; M568-E609 HydrophobicContact SD-CG 4.15Å; M568-E609 VanDerWaalsContact SD-O 3.34Å; R594-E609 IonicContact NE-OE1 3.98Å; R594-E609 IonicContact NE-OE2 2.77Å; R594-E609 PolarHBondContact NE-OE2 3.44Å; R594-E609 IonicContact NH2-OE1 2.77Å; M604-E609 PolarHBondContact O-N 2.89Å; M604-E609 HydrophobicContact SD-CG 3.9Å; V605-E609 WeakPolarHBondContact O-CB 3.34Å; V605-E609 PolarHBondContact O-N 2.8Å; E609-R611 VanDerWaalsContact C-N 3.32Å; E609-R611 PolarHBondContact O-N 3.11Å; E609-F612 WeakPolarHBondContact O-CB 3.39Å; E609-F612 PolarHBondContact O-N 3.16Å; E609-F612 VanDerWaalsContact O-N 3.12Å; E609-I613 WeakPolarHBondContact O-CG1 3.19Å; E609-I613 PolarHBondContact O-N 3.21Å
610M94.5Very high93.2Very high20 Ų2056.5 Ų56.510%0.09926%0.263CS..Hα-helixtrans-60.8-38.2175.9-168.5-1767100113V605 F606 T608 F612 I613 N614 L628 Y696V605-M610 PolarHBondContact O-N 2.92Å; V605-M610 VanDerWaalsContact O-N 3.1Å; F606-M610 HydrophobicContact CD2-SD 4.49Å; F606-M610 HydrophobicContact CE2-CE 4.33Å; F606-M610 HydrophobicContact CE2-SD 4.46Å; F606-M610 HydrophobicContact CZ-CE 4.4Å; F606-M610 VanDerWaalsContact O-CB 3.28Å; F606-M610 WeakPolarHBondContact O-CB 3.47Å; T608-M610 PolarHBondContact O-N 3.47Å; M610-F612 VanDerWaalsContact C-N 3.3Å; M610-F612 PolarHBondContact O-N 3.35Å; M610-I613 PolarHBondContact O-N 2.71Å; M610-N614 PolarHBondContact O-N 3.25Å; M610-N614 PolarHBondContact O-ND2 2.91Å; M610-L628 HydrophobicContact CG-CD2 3.64Å; M610-L628 HydrophobicContact SD-CD2 4.5Å; M610-Y696 HydrophobicContact CE-CD2 4.15Å; M610-Y696 HydrophobicContact CE-CE2 4.21Å; M610-Y696 HydrophobicContact CE-CG 4.42Å; M610-Y696 HydrophobicContact SD-CD1 3.53Å; M610-Y696 VanDerWaalsContact SD-CD1 3.53Å; M610-Y696 HydrophobicContact SD-CD2 3.66Å; M610-Y696 HydrophobicContact SD-CE1 3.97Å; M610-Y696 HydrophobicContact SD-CE2 4.06Å; M610-Y696 HydrophobicContact SD-CG 3.34Å
611R95.3Very high93.9Very high162 Ų16255.5 Ų55.561%0.61125%0.252SS*.Hα-helixtrans-65.3-37.2176.5-70.5-171-177.8162.1-4.2111.2H607 T608 E609 N614 Q615H607-R611 WeakPolarHBondContact O-CD 3.33Å; H607-R611 VanDerWaalsContact O-CG 3.25Å; H607-R611 WeakPolarHBondContact O-CG 3.29Å; H607-R611 PolarHBondContact O-NE 2.94Å; T608-R611 WeakPolarHBondContact O-CB 3.41Å; T608-R611 PolarHBondContact O-N 3.04Å; T608-R611 VanDerWaalsContact O-N 3.07Å; E609-R611 VanDerWaalsContact C-N 3.32Å; E609-R611 PolarHBondContact O-N 3.11Å; R611-N614 PolarHBondContact O-N 2.84Å; R611-Q615 WeakPolarHBondContact O-CB 3.24Å; R611-Q615 PolarHBondContact O-N 3.44Å
612F97.7Very high94.2Very high32 Ų3260.8 Ų60.814%0.1428%0.277CS..Hα-helixtrans-67.7-40.5177.3-57.9-20.1000111.8K565 M568 I569 T608 E609 M610 Q615 A616K565-F612 VanDerWaalsContact CA-CE2 3.44Å; K565-F612 HydrophobicContact CB-CD1 4.25Å; K565-F612 HydrophobicContact CB-CD2 4.1Å; K565-F612 HydrophobicContact CB-CE1 3.88Å; K565-F612 HydrophobicContact CB-CE2 3.66Å; K565-F612 HydrophobicContact CB-CG 4.36Å; K565-F612 HydrophobicContact CB-CZ 3.54Å; K565-F612 HydrophobicContact CD-CD1 4.28Å; K565-F612 HydrophobicContact CD-CE1 3.86Å; K565-F612 HydrophobicContact CD-CZ 4.29Å; K565-F612 HydrophobicContact CG-CD1 3.74Å; K565-F612 HydrophobicContact CG-CD2 4.36Å; K565-F612 HydrophobicContact CG-CE1 3.64Å; K565-F612 HydrophobicContact CG-CE2 4.23Å; K565-F612 HydrophobicContact CG-CG 4.12Å; K565-F612 HydrophobicContact CG-CZ 3.88Å; M568-F612 HydrophobicContact CB-CB 4.23Å; M568-F612 HydrophobicContact CB-CD2 4.46Å; M568-F612 HydrophobicContact CG-CB 4.07Å; M568-F612 HydrophobicContact SD-CB 4.03Å; M568-F612 HydrophobicContact SD-CD2 4.4Å; I569-F612 HydrophobicContact CG1-CB 4.14Å; I569-F612 WeakPolarHBondContact CG1-O 3.3Å; T608-F612 HydrophobicContact CG2-CD2 4.22Å; T608-F612 HydrophobicContact CG2-CE1 4.04Å; T608-F612 HydrophobicContact CG2-CE2 3.34Å; T608-F612 HydrophobicContact CG2-CZ 3.22Å; T608-F612 WeakPolarHBondContact O-CD1 3.45Å; T608-F612 WeakPolarHBondContact O-CG 3.4Å; T608-F612 PolarHBondContact O-N 3.35Å; T608-F612 VanDerWaalsContact O-N 3.12Å; E609-F612 WeakPolarHBondContact O-CB 3.39Å; E609-F612 PolarHBondContact O-N 3.16Å; E609-F612 VanDerWaalsContact O-N 3.12Å; M610-F612 VanDerWaalsContact C-N 3.3Å; M610-F612 PolarHBondContact O-N 3.35Å; F612-Q615 WeakPolarHBondContact O-CB 3.48Å; F612-Q615 PolarHBondContact O-N 3.42Å; F612-A616 PolarHBondContact O-N 2.89Å
613I97.7Very high94.3Very high0 Ų066.8 Ų66.80%031%0.31CS..Hα-helixtrans-60-49.2173.8-68.1163.9000110.6M568 V572 V592 E609 M610 Q615 A616 F617 L628M568-I613 HydrophobicContact CG-CG1 4.14Å; M568-I613 HydrophobicContact SD-CD1 4.18Å; M568-I613 HydrophobicContact SD-CG1 3.84Å; V572-I613 HydrophobicContact CG2-CG1 4.23Å; V592-I613 HydrophobicContact CG2-CD1 4.19Å; E609-I613 WeakPolarHBondContact O-CG1 3.19Å; E609-I613 PolarHBondContact O-N 3.21Å; M610-I613 PolarHBondContact O-N 2.71Å; I613-Q615 VanDerWaalsContact C-N 3.29Å; I613-Q615 PolarHBondContact O-N 3.2Å; I613-A616 WeakPolarHBondContact O-CB 3.36Å; I613-A616 PolarHBondContact O-N 2.92Å; I613-A616 VanDerWaalsContact O-N 3.1Å; I613-F617 HydrophobicContact CG2-CD1 4.45Å; I613-F617 HydrophobicContact CG2-CE1 3.67Å; I613-F617 HydrophobicContact CG2-CE2 3.71Å; I613-F617 HydrophobicContact CG2-CZ 3.24Å; I613-F617 WeakPolarHBondContact O-CD1 3.24Å; I613-F617 WeakPolarHBondContact O-CG 3.3Å; I613-F617 PolarHBondContact O-N 3.33Å; I613-L628 HydrophobicContact CG2-CD1 4.22Å; I613-L628 HydrophobicContact CG2-CD2 4.14Å
614N96.8Very high94.8Very high34 Ų3464.7 Ų64.718%0.18229%0.291CS..Hα-helixtrans-62.4-35.7176.4-77.9-44.8000112.8M610 R611 F617 R618M610-N614 PolarHBondContact O-N 3.25Å; M610-N614 PolarHBondContact O-ND2 2.91Å; R611-N614 PolarHBondContact O-N 2.84Å; N614-F617 PolarHBondContact O-N 3.2Å; N614-R618 PolarHBondContact O-N 2.82Å
615Q97.1Very high95.1Very high58 Ų5867.3 Ų67.327%0.27131%0.314SS..Hα-helixtrans-64.4-41.5173.5-174.4-179.4-22.100111.2I569 R611 F612 I613 F617 R618 Q619I569-Q615 HydrophobicContact CD1-CB 4.16Å; I569-Q615 HydrophobicContact CD1-CG 3.93Å; R611-Q615 WeakPolarHBondContact O-CB 3.24Å; R611-Q615 PolarHBondContact O-N 3.44Å; F612-Q615 WeakPolarHBondContact O-CB 3.48Å; F612-Q615 PolarHBondContact O-N 3.42Å; I613-Q615 VanDerWaalsContact C-N 3.29Å; I613-Q615 PolarHBondContact O-N 3.2Å; Q615-F617 VanDerWaalsContact C-N 3.29Å; Q615-F617 PolarHBondContact O-N 3.41Å; Q615-R618 PolarHBondContact O-N 3.47Å; Q615-Q619 HydrophobicContact CG-CG 4.34Å; Q615-Q619 WeakPolarHBondContact O-CB 3.31Å; Q615-Q619 WeakPolarHBondContact O-CG 3.43Å; Q615-Q619 PolarHBondContact O-N 2.95Å
616A98.2Very high95.6Very high0 Ų067.8 Ų67.80%032%0.317CS..Hα-helixtrans-60.6-39.5176.100000111.8I569 V572 F612 I613 Q619 Y620I569-A616 HydrophobicContact CB-CB 4.46Å; I569-A616 HydrophobicContact CG1-CB 4.47Å; I569-A616 HydrophobicContact CG2-CB 4.28Å; V572-A616 HydrophobicContact CB-CB 3.71Å; V572-A616 HydrophobicContact CG1-CB 3.66Å; F612-A616 PolarHBondContact O-N 2.89Å; I613-A616 WeakPolarHBondContact O-CB 3.36Å; I613-A616 PolarHBondContact O-N 2.92Å; I613-A616 VanDerWaalsContact O-N 3.1Å; A616-Q619 PolarHBondContact O-N 3.29Å; A616-Y620 WeakPolarHBondContact O-CB 3.09Å; A616-Y620 PolarHBondContact O-N 3.33Å
617F98.4Very high96Very high2 Ų270 Ų701%0.00933%0.326CS..Hα-helixtrans-58.5-51.2176.1-59.3-18.2000111.6V572 L576 V590 I613 N614 Q615 Q619 Y620 K621 Y624 P626 L628V572-F617 HydrophobicContact CG1-CD1 4.07Å; V572-F617 HydrophobicContact CG1-CE1 3.76Å; L576-F617 HydrophobicContact CD1-CD1 3.93Å; L576-F617 HydrophobicContact CD1-CE1 4.47Å; V590-F617 HydrophobicContact CB-CZ 4.11Å; V590-F617 HydrophobicContact CG1-CZ 4.15Å; V590-F617 HydrophobicContact CG2-CE1 4.31Å; V590-F617 HydrophobicContact CG2-CZ 3.85Å; I613-F617 HydrophobicContact CG2-CD1 4.45Å; I613-F617 HydrophobicContact CG2-CE1 3.67Å; I613-F617 HydrophobicContact CG2-CE2 3.71Å; I613-F617 HydrophobicContact CG2-CZ 3.24Å; I613-F617 WeakPolarHBondContact O-CD1 3.24Å; I613-F617 WeakPolarHBondContact O-CG 3.3Å; I613-F617 PolarHBondContact O-N 3.33Å; N614-F617 PolarHBondContact O-N 3.2Å; Q615-F617 VanDerWaalsContact C-N 3.29Å; Q615-F617 PolarHBondContact O-N 3.41Å; F617-Q619 VanDerWaalsContact C-N 3.34Å; F617-Q619 PolarHBondContact O-N 2.92Å; F617-Y620 PolarHBondContact O-N 3.4Å; F617-K621 PolarHBondContact O-N 3.45Å; F617-K621 VanDerWaalsContact O-O 3.11Å; F617-Y624 HydrophobicContact CB-CD1 3.86Å; F617-Y624 HydrophobicContact CB-CE1 4.23Å; F617-Y624 WeakPolarHBondContact CB-O 3.46Å; F617-Y624 HydrophobicContact CD1-CE1 4.17Å; F617-Y624 HydrophobicContact CG-CD1 4.39Å; F617-Y624 HydrophobicContact CG-CE1 4.26Å; F617-P626 HydrophobicContact CD1-CG 4.39Å; F617-P626 HydrophobicContact CD2-CG 3.58Å; F617-P626 HydrophobicContact CE1-CG 4.3Å; F617-P626 HydrophobicContact CE2-CG 3.49Å; F617-P626 VanDerWaalsContact CE2-CG 3.49Å; F617-P626 HydrophobicContact CG-CG 4.04Å; F617-P626 HydrophobicContact CZ-CG 3.85Å; F617-L628 HydrophobicContact CZ-CD1 4.47Å
618R97.2Very high96.5Very high168 Ų16866 Ų6663%0.63431%0.307SS*.Hα-helixtrans-65.9-35.3179.2-64.4175.5-169168.52.2112.8N614 Q615 K621 Q622N614-R618 PolarHBondContact O-N 2.82Å; Q615-R618 PolarHBondContact O-N 3.47Å; R618-K621 CarbonylContact O-C 3.57Å; R618-K621 VanDerWaalsContact O-C 3.25Å; R618-Q622 WeakPolarHBondContact O-CA 3.36Å; R618-Q622 PolarHBondContact O-N 3.5Å
619Q96.8Very high96.8Very high113 Ų11363.6 Ų63.653%0.52829%0.293SS..Hα-helixtrans-70.4-36.1176.4-78.3-171.8-12.700112.4Q615 A616 F617Q615-Q619 HydrophobicContact CG-CG 4.34Å; Q615-Q619 WeakPolarHBondContact O-CB 3.31Å; Q615-Q619 WeakPolarHBondContact O-CG 3.43Å; Q615-Q619 PolarHBondContact O-N 2.95Å; A616-Q619 PolarHBondContact O-N 3.29Å; F617-Q619 VanDerWaalsContact C-N 3.34Å; F617-Q619 PolarHBondContact O-N 2.92Å
620Y97.4Very high96.9Very high68 Ų6863.7 Ų63.727%0.26729%0.293SS..Hα-helixtrans-67.7-45.5175.2-171-92.1000111.1T573 L576 G577 E580 L586 A616 F617T573-Y620 HydrophobicContact CG2-CD2 3.85Å; L576-Y620 HydrophobicContact CB-CD1 4.16Å; L576-Y620 HydrophobicContact CB-CD2 3.86Å; L576-Y620 HydrophobicContact CB-CE1 4.34Å; L576-Y620 HydrophobicContact CB-CE2 4.02Å; L576-Y620 HydrophobicContact CB-CG 3.94Å; L576-Y620 HydrophobicContact CD1-CD1 4.36Å; L576-Y620 HydrophobicContact CD1-CD2 4.43Å; L576-Y620 HydrophobicContact CD1-CG 3.92Å; G577-Y620 WeakPolarHBondContact CA-OH 3.45Å; E580-Y620 WeakPolarHBondContact OE2-CE1 3.38Å; E580-Y620 PolarHBondContact OE2-OH 3.09Å; L586-Y620 HydrophobicContact CD1-CD1 4.24Å; L586-Y620 HydrophobicContact CD1-CE1 4.06Å; L586-Y620 HydrophobicContact CD2-CD1 4.03Å; L586-Y620 HydrophobicContact CD2-CE1 3.59Å; L586-Y620 HydrophobicContact CG-CE1 4.35Å; A616-Y620 WeakPolarHBondContact O-CB 3.09Å; A616-Y620 PolarHBondContact O-N 3.33Å; F617-Y620 PolarHBondContact O-N 3.4Å
621K97Very high97Very high118 Ų11862.7 Ų62.751%0.51329%0.289SS..SBendtrans-152125.5175.2-177.7173.4-174.2174.70110.1L586 F617 R618 D623 Y624L586-K621 HydrophobicContact CD1-CD 4.13Å; F617-K621 PolarHBondContact O-N 3.45Å; F617-K621 VanDerWaalsContact O-O 3.11Å; R618-K621 CarbonylContact O-C 3.57Å; R618-K621 VanDerWaalsContact O-C 3.25Å; K621-D623 VanDerWaalsContact C-N 3.31Å; K621-D623 PolarHBondContact O-N 3.05Å; K621-D623 VanDerWaalsContact O-N 3.14Å; K621-Y624 VanDerWaalsContact O-CB 3.27Å; K621-Y624 WeakPolarHBondContact O-CB 3.47Å; K621-Y624 PolarHBondContact O-N 3.12Å
622Q92.3Very high97.1Very high168 Ų16855 Ų5579%0.78526%0.26SS*.THydrogen-bonded Turntrans-51.1-44.1-167.5-173.8169.4-3.700114.3R618R618-Q622 WeakPolarHBondContact O-CA 3.36Å; R618-Q622 PolarHBondContact O-N 3.5Å
623D93.2Very high97.1Very high149 Ų14953.5 Ų53.580%0.79725%0.253SS*.THydrogen-bonded Turntrans-97.910.8-177.8-53.8-46000113.7K621 S625K621-D623 VanDerWaalsContact C-N 3.31Å; K621-D623 PolarHBondContact O-N 3.05Å; K621-D623 VanDerWaalsContact O-N 3.14Å; D623-S625 PolarHBondContact O-N 3.28Å
624Y97.7Very high96.9Very high26 Ų2654.4 Ų54.410%0.10226%0.257CS..  trans-83.7112-179.5179.4-118.3000110.9L576 L586 P587 F617 K621 P626L576-Y624 HydrophobicContact CD1-CE1 4.07Å; L576-Y624 HydrophobicContact CD2-CE1 3.75Å; L586-Y624 HydrophobicContact CB-CD2 4.41Å; L586-Y624 HydrophobicContact CB-CE2 3.76Å; L586-Y624 HydrophobicContact CD1-CD2 4.03Å; L586-Y624 HydrophobicContact CD1-CE2 4.17Å; L586-Y624 HydrophobicContact CD1-CG 4.23Å; P587-Y624 VanDerWaalsContact CD-OH 3.27Å; P587-Y624 WeakPolarHBondContact CD-OH 3.36Å; P587-Y624 VanDerWaalsContact CG-OH 3.24Å; P587-Y624 WeakPolarHBondContact CG-OH 3.37Å; P587-Y624 VanDerWaalsContact O-CE2 3.29Å; P587-Y624 WeakPolarHBondContact O-CE2 3.28Å; P587-Y624 PolarHBondContact O-OH 2.66Å; F617-Y624 HydrophobicContact CB-CD1 3.86Å; F617-Y624 HydrophobicContact CB-CE1 4.23Å; F617-Y624 WeakPolarHBondContact CB-O 3.46Å; F617-Y624 HydrophobicContact CD1-CE1 4.17Å; F617-Y624 HydrophobicContact CG-CD1 4.39Å; F617-Y624 HydrophobicContact CG-CE1 4.26Å; K621-Y624 VanDerWaalsContact O-CB 3.27Å; K621-Y624 WeakPolarHBondContact O-CB 3.47Å; K621-Y624 PolarHBondContact O-N 3.12Å; Y624-P626 HydrophobicContact CD1-CG 4.49Å; Y624-P626 HydrophobicContact CE1-CG 3.76Å; Y624-P626 HydrophobicContact CE2-CB 4.03Å; Y624-P626 HydrophobicContact CE2-CG 4.08Å; Y624-P626 WeakPolarHBondContact OH-CG 3.44Å
625S96.2Very high96.6Very high95 Ų9555.7 Ų55.766%0.66426%0.261SS*.  trans-136.675179.4-171.50000110D623D623-S625 PolarHBondContact O-N 3.28Å
626P98.1Very high96Very high9 Ų964 Ų646%0.05829%0.29CS..  trans-65.5158.8176.833.1-38.1000110.5T588 V590 F617 Y624T588-P626 WeakPolarHBondContact O-CB 3.46Å; V590-P626 HydrophobicContact CG2-CB 4.11Å; V590-P626 HydrophobicContact CG2-CG 3.91Å; F617-P626 HydrophobicContact CD1-CG 4.39Å; F617-P626 HydrophobicContact CD2-CG 3.58Å; F617-P626 HydrophobicContact CE1-CG 4.3Å; F617-P626 HydrophobicContact CE2-CG 3.49Å; F617-P626 VanDerWaalsContact CE2-CG 3.49Å; F617-P626 HydrophobicContact CG-CG 4.04Å; F617-P626 HydrophobicContact CZ-CG 3.85Å; Y624-P626 HydrophobicContact CD1-CG 4.49Å; Y624-P626 HydrophobicContact CE1-CG 3.76Å; Y624-P626 HydrophobicContact CE2-CB 4.03Å; Y624-P626 HydrophobicContact CE2-CG 4.08Å; Y624-P626 WeakPolarHBondContact OH-CG 3.44Å
627K98.3Very high95.3Very high114 Ų11465.1 Ų65.150%0.49630%0.295SS..EExtended strand (participates in β ladder)trans-69134.8172-67.7-177.8172.2-160.10110.1T588 S589 V590 D698 N699T588-K627 PolarHBondContact O-N 3.34Å; S589-K627 CarbonylContact C-O 3.55Å; S589-K627 WeakPolarHBondContact CA-O 3.49Å; V590-K627 PolarHBondContact N-O 3.26Å; K627-D698 HydrophobicContact CB-CB 4.2Å; K627-D698 WeakPolarHBondContact CD-O 3.35Å; K627-N699 WeakPolarHBondContact CB-OD1 3.4Å; K627-N699 PolarHBondContact O-ND2 3.26Å
628L98.1Very high94.5Very high0 Ų068.3 Ų68.30%031%0.31CS..EExtended strand (participates in β ladder)trans-118.3135.9-175.5-178.963.2000112V590 V592 M610 I613 F617 Y696 D698V590-L628 HydrophobicContact CB-CD1 4.06Å; V590-L628 HydrophobicContact CG1-CD1 3.99Å; V590-L628 CarbonylContact O-C 3.19Å; V590-L628 WeakPolarHBondContact O-CA 3.49Å; V592-L628 HydrophobicContact CG2-CD1 3.74Å; M610-L628 HydrophobicContact CG-CD2 3.64Å; M610-L628 HydrophobicContact SD-CD2 4.5Å; I613-L628 HydrophobicContact CG2-CD1 4.22Å; I613-L628 HydrophobicContact CG2-CD2 4.14Å; F617-L628 HydrophobicContact CZ-CD1 4.47Å; L628-Y696 HydrophobicContact CB-CD1 4.49Å; L628-Y696 HydrophobicContact CB-CE1 4.25Å; L628-Y696 HydrophobicContact CG-CD1 4.45Å; L628-Y696 WeakPolarHBondContact O-CD1 3.48Å; L628-D698 PolarHBondContact O-N 2.97Å
629T98.5Very high94Very high0 Ų061.3 Ų61.30%029%0.286CS..EExtended strand (participates in β ladder)trans-124.6131.9166.9-50.80000109.5V590 V592 V631 V694 Y696 D697 N699 F701V590-T629 PolarHBondContact O-N 3.4Å; V592-T629 PolarHBondContact N-O 3.16Å; T629-V631 HydrophobicContact CG2-CG2 4.01Å; T629-V694 HydrophobicContact CG2-CG1 4.13Å; T629-Y696 CarbonylContact C-O 3.5Å; T629-Y696 WeakPolarHBondContact CA-O 3.48Å; T629-Y696 WeakPolarHBondContact CG2-O 3.49Å; T629-D697 HydrophobicContact CG2-CB 4.04Å; T629-D697 PolarHBondContact OG1-OD1 2.92Å; T629-N699 PolarHBondContact N-ND2 2.91Å; T629-N699 WeakPolarHBondContact OG1-CB 3.08Å; T629-N699 PolarHBondContact OG1-ND2 2.93Å; T629-F701 HydrophobicContact CG2-CD2 4.02Å; T629-F701 HydrophobicContact CG2-CE2 4.25Å; T629-F701 WeakPolarHBondContact OG1-CE2 3.5Å
630M97.5Very high93.8Very high1 Ų157.5 Ų57.51%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-115.1113.7-179.8-168.567.4173.500110.3V592 R594 V605 L695 Y696V592-M630 HydrophobicContact CB-SD 3.49Å; V592-M630 WeakPolarHBondContact CB-SD 3.39Å; V592-M630 HydrophobicContact CG1-CE 3.96Å; V592-M630 HydrophobicContact CG1-SD 3.45Å; V592-M630 WeakPolarHBondContact CG1-SD 3.47Å; V592-M630 HydrophobicContact CG2-SD 4.21Å; R594-M630 HydrophobicContact CB-CE 3.86Å; R594-M630 HydrophobicContact CG-CE 4.32Å; V605-M630 HydrophobicContact CG1-CE 3.22Å; V605-M630 HydrophobicContact CG1-CG 4.12Å; V605-M630 HydrophobicContact CG1-SD 4.49Å; M630-L695 PolarHBondContact O-N 2.86Å; M630-Y696 PolarHBondContact N-O 3.39Å
631V98.1Very high93.6Very high0 Ų055.2 Ų55.20%026%0.258CS..EExtended strand (participates in β ladder)trans-117.7119.3-178.3-170.60000109.7V592 Y593 R594 T629 Y692 T693 V694 I706V592-V631 PolarHBondContact O-N 3.11Å; Y593-V631 CarbonylContact C-O 3.54Å; Y593-V631 VanDerWaalsContact CA-O 3.3Å; Y593-V631 WeakPolarHBondContact CA-O 3.3Å; Y593-V631 HydrophobicContact CD1-CB 4.04Å; Y593-V631 HydrophobicContact CD1-CG1 4.13Å; Y593-V631 HydrophobicContact CE1-CB 4.17Å; Y593-V631 HydrophobicContact CE1-CG1 4.09Å; Y593-V631 HydrophobicContact CE1-CG2 4.49Å; R594-V631 PolarHBondContact N-O 3.23Å; T629-V631 HydrophobicContact CG2-CG2 4.01Å; V631-Y692 HydrophobicContact CG1-CD1 4Å; V631-T693 CarbonylContact C-O 3.6Å; V631-T693 WeakPolarHBondContact CA-O 3.26Å; V631-V694 HydrophobicContact CG2-CG2 4.38Å; V631-I706 HydrophobicContact CG2-CD1 4.25Å
632V97.1Very high93.4Very high0 Ų051.5 Ų51.50%024%0.242CC..EExtended strand (participates in β ladder)trans-86.9135170.1174.80000109.3R594 V597 F602 V605 Q634 Y692 T693 L695R594-V632 HydrophobicContact CB-CG2 4.36Å; R594-V632 CarbonylContact O-C 3.49Å; R594-V632 WeakPolarHBondContact O-CA 3.4Å; V597-V632 HydrophobicContact CB-CG1 4.17Å; F602-V632 HydrophobicContact CE1-CB 4.31Å; F602-V632 HydrophobicContact CE1-CG1 3.78Å; F602-V632 HydrophobicContact CE1-CG2 4.49Å; F602-V632 HydrophobicContact CZ-CG1 4.38Å; V605-V632 HydrophobicContact CG1-CG2 4.36Å; V632-Q634 HydrophobicContact CG1-CG 4.1Å; V632-Y692 CarbonylContact O-C 3.44Å; V632-Y692 WeakPolarHBondContact O-CA 3.2Å; V632-T693 PolarHBondContact N-O 3.25Å; V632-T693 PolarHBondContact O-N 2.68Å; V632-L695 HydrophobicContact CG2-CD1 3.45Å; V632-L695 VanDerWaalsContact CG2-CD1 3.45Å; V632-L695 HydrophobicContact CG2-CG 3.99Å
633V97.7Very high93.6Very high0 Ų048.7 Ų48.70%022%0.224CC..EExtended strand (participates in β ladder)trans-117.8123.7178.6-169.80000110Y593 R594 G596 C690 Q691 Y692 L726 V730Y593-V633 HydrophobicContact CD1-CG2 3.64Å; Y593-V633 HydrophobicContact CG-CG2 4.5Å; R594-V633 PolarHBondContact O-N 3.33Å; G596-V633 PolarHBondContact N-O 3.32Å; V633-C690 HydrophobicContact CG1-CB 4.06Å; V633-Q691 CarbonylContact C-O 3.59Å; V633-Q691 WeakPolarHBondContact CA-O 3.31Å; V633-Y692 HydrophobicContact CG1-CD1 4.32Å; V633-Y692 HydrophobicContact CG1-CE1 3.94Å; V633-Y692 HydrophobicContact CG2-CD1 3.76Å; V633-Y692 HydrophobicContact CG2-CE1 3.76Å; V633-L726 HydrophobicContact CG1-CD2 3.48Å; V633-L726 VanDerWaalsContact CG1-CD2 3.48Å; V633-V730 HydrophobicContact CB-CG2 4.3Å; V633-V730 HydrophobicContact CG2-CG2 3.98Å
634Q94.1Very high93.5Very high19 Ų1949.6 Ų49.69%0.08922%0.224CC..EExtended strand (participates in β ladder)trans-122111.9-179.7-63.6169.9-49.300110.4V597 D599 V632 H637 C690 Q691V597-Q634 WeakPolarHBondContact O-CG 3.43Å; V597-Q634 PolarHBondContact O-NE2 2.89Å; D599-Q634 PolarHBondContact OD1-NE2 3.27Å; V632-Q634 HydrophobicContact CG1-CG 4.1Å; Q634-H637 PolarHBondContact O-CD2 3.06Å; Q634-C690 WeakPolarHBondContact O-CA 3.44Å; Q634-Q691 HydrophobicContact CB-CB 4.37Å; Q634-Q691 PolarHBondContact N-O 3.27Å; Q634-Q691 PolarHBondContact O-N 2.99Å
635K89.3Confident93.3Very high61 Ų6154.9 Ų54.927%0.26525%0.254SS..  trans-90.7-19.6173.4-174.9170.1175.7-178.70113.8S725 L726K635-S725 WeakPolarHBondContact CE-OG 3.47Å; K635-S725 PolarHBondContact NZ-OG 3.14Å; K635-L726 HydrophobicContact CB-CD2 4.19Å; K635-L726 HydrophobicContact CD-CD1 3.82Å; K635-L726 HydrophobicContact CD-CD2 4.43Å; K635-L726 HydrophobicContact CD-CG 4.02Å
636R83.8Confident93.2Very high233 Ų23351.2 Ų51.288%0.87923%0.226SC*.  trans-106.974-171.4-65-176.2-173.6146.94.9111.1
637H84.7Confident93.1Very high23 Ų2352.7 Ų52.711%0.10624%0.237CC..  trans-130.3179.117461.190.6000110.9Q634 T639 R640 F676 P689Q634-H637 PolarHBondContact O-CD2 3.06Å; H637-T639 PolarHBondContact CE1-O 3.21Å; H637-T639 VanDerWaalsContact ND1-CB 3.35Å; H637-T639 WeakPolarHBondContact ND1-CB 3.43Å; H637-T639 PolarHBondContact ND1-N 2.88Å; H637-T639 PolarHBondContact ND1-OG1 3.15Å; H637-T639 VanDerWaalsContact ND1-OG1 3.13Å; H637-R640 PolarHBondContact O-NH1 3.1Å; H637-R640 PolarHBondContact O-NH2 3.4Å; H637-R640 VanDerWaalsContact O-NH2 3.08Å; H637-F676 AromaticContact CE1-CD1 3.96Å; H637-F676 AromaticContact CE1-CE1 3.64Å; H637-F676 AromaticContact ND1-CE1 3.8Å; H637-P689 PolarHBondContact CE1-O 2.81Å; H637-P689 VanDerWaalsContact CE1-O 3.25Å; H637-P689 PolarHBondContact NE2-O 2.95Å
638H81Confident92.9Very high70 Ų7051 Ų5132%0.32424%0.238SC..SBendtrans-94.8-24.7-170.9-68.1-57.6000113.8D131 R640D131-H638 HydrophobicContact CB-CB 4.26Å; D131-H638 VanDerWaalsContact CG-CB 3.47Å; D131-H638 VanDerWaalsContact OD1-C 3.22Å; D131-H638 VanDerWaalsContact OD2-C 3.28Å; D131-H638 WeakPolarHBondContact OD2-CB 3.45Å; H638-R640 PolarHBondContact O-N 2.79Å
639T88.1Confident92.7Very high21 Ų2160.4 Ų60.413%0.12928%0.279CS..  trans-54.7129.3177.9-280000113.7D131 H637 F641 F676D131-T639 PolarHBondContact OD1-N 3.41Å; D131-T639 PolarHBondContact OD2-N 2.76Å; H637-T639 PolarHBondContact CE1-O 3.21Å; H637-T639 VanDerWaalsContact ND1-CB 3.35Å; H637-T639 WeakPolarHBondContact ND1-CB 3.43Å; H637-T639 PolarHBondContact ND1-N 2.88Å; H637-T639 PolarHBondContact ND1-OG1 3.15Å; H637-T639 VanDerWaalsContact ND1-OG1 3.13Å; T639-F641 HydrophobicContact CG2-CE1 4.43Å; T639-F641 HydrophobicContact CG2-CE2 3.91Å; T639-F641 HydrophobicContact CG2-CZ 3.79Å; T639-F676 HydrophobicContact CG2-CE1 4.21Å; T639-F676 HydrophobicContact CG2-CE2 4.5Å; T639-F676 HydrophobicContact CG2-CZ 4.05Å
640R90.7Very high92.5Very high32 Ų3263.7 Ų63.712%0.12130%0.297CS..  trans-131.5143173.2-60.9-64.2174.2-93.4-12.8110T134 H637 H638 F642T134-R640 HydrophobicContact CG2-CG 4.19Å; H637-R640 PolarHBondContact O-NH1 3.1Å; H637-R640 PolarHBondContact O-NH2 3.4Å; H637-R640 VanDerWaalsContact O-NH2 3.08Å; H638-R640 PolarHBondContact O-N 2.79Å; R640-F642 HydrophobicContact CB-CE2 3.8Å; R640-F642 HydrophobicContact CB-CZ 3.85Å
641F93.5Very high92.3Very high21 Ų2172 Ų729%0.09233%0.333CS..  trans-113.7136.1179.5-62.4-80.8000110I314 T639 I657 V663 P667 F676 P689I314-F641 HydrophobicContact CD1-CD1 3.64Å; I314-F641 HydrophobicContact CD1-CE1 3.46Å; I314-F641 VanDerWaalsContact CD1-CE1 3.46Å; T639-F641 HydrophobicContact CG2-CE1 4.43Å; T639-F641 HydrophobicContact CG2-CE2 3.91Å; T639-F641 HydrophobicContact CG2-CZ 3.79Å; F641-I657 HydrophobicContact CB-CD1 3.75Å; F641-I657 HydrophobicContact CB-CG2 4.32Å; F641-I657 HydrophobicContact CG-CD1 4.5Å; F641-V663 HydrophobicContact CD1-CG2 3.95Å; F641-V663 HydrophobicContact CE1-CB 3.94Å; F641-V663 HydrophobicContact CE1-CG1 3.8Å; F641-V663 HydrophobicContact CE1-CG2 3.71Å; F641-V663 HydrophobicContact CZ-CB 3.98Å; F641-V663 HydrophobicContact CZ-CG1 4.06Å; F641-V663 HydrophobicContact CZ-CG2 4.11Å; F641-P667 HydrophobicContact CE1-CG 3.88Å; F641-P667 HydrophobicContact CZ-CG 4Å; F641-F676 HydrophobicContact CE2-CB 3.7Å; F641-F676 AromaticContact CE2-CD1 3.86Å; F641-F676 HydrophobicContact CE2-CD1 3.86Å; F641-F676 HydrophobicContact CE2-CD2 4.12Å; F641-F676 AromaticContact CE2-CG 3.62Å; F641-F676 HydrophobicContact CE2-CG 3.62Å; F641-F676 HydrophobicContact CZ-CB 3.91Å; F641-F676 HydrophobicContact CZ-CD1 4.25Å; F641-F676 AromaticContact CZ-CD2 3.68Å; F641-F676 HydrophobicContact CZ-CD2 3.68Å; F641-F676 HydrophobicContact CZ-CE2 4.26Å; F641-F676 AromaticContact CZ-CG 3.67Å; F641-F676 HydrophobicContact CZ-CG 3.67Å; F641-P689 HydrophobicContact CD2-CB 4.18Å; F641-P689 HydrophobicContact CD2-CG 3.7Å; F641-P689 HydrophobicContact CE2-CB 4.31Å; F641-P689 HydrophobicContact CE2-CG 4.32Å
642F94.4Very high92Very high39 Ų3973.1 Ų73.117%0.17134%0.34CS..  trans-125.9140.7-176.5-61.1-78.6000108.7P277 R280 R281 I284 M311 R640 I646 T686P277-F642 HydrophobicContact CB-CD1 4.08Å; P277-F642 HydrophobicContact CB-CE1 4.33Å; P277-F642 WeakPolarHBondContact O-CE1 3.46Å; R280-F642 HydrophobicContact CB-CE1 4.33Å; R280-F642 HydrophobicContact CG-CE1 4.41Å; R280-F642 HydrophobicContact CG-CZ 4.15Å; R281-F642 HydrophobicContact CB-CD1 3.95Å; R281-F642 HydrophobicContact CB-CE1 3.98Å; R281-F642 HydrophobicContact CB-CG 4.25Å; R281-F642 HydrophobicContact CB-CZ 4.31Å; R281-F642 HydrophobicContact CG-CD2 4.42Å; R281-F642 HydrophobicContact CG-CG 4.32Å; I284-F642 HydrophobicContact CD1-CE2 4.22Å; I284-F642 HydrophobicContact CD1-CZ 3.97Å; M311-F642 HydrophobicContact CE-CD2 4.39Å; M311-F642 HydrophobicContact CE-CE2 4.09Å; M311-F642 HydrophobicContact SD-CD2 3.85Å; M311-F642 HydrophobicContact SD-CE2 4.12Å; R640-F642 HydrophobicContact CB-CE2 3.8Å; R640-F642 HydrophobicContact CB-CZ 3.85Å; F642-I646 HydrophobicContact CB-CD1 4.01Å; F642-I646 HydrophobicContact CD1-CD1 4.22Å; F642-T686 HydrophobicContact CD1-CG2 4.44Å; F642-T686 HydrophobicContact CE1-CG2 3.8Å; F642-T686 HydrophobicContact CZ-CG2 4.34Å
643R94.9Very high91.8Very high110 Ų11075.4 Ų75.442%0.41536%0.359SS..  trans-61.9145.9166.6-52.1-179.690.7176.90.7108N645 I646 V654 N656 I657R643-N645 VanDerWaalsContact C-N 3.28Å; R643-N645 PolarHBondContact O-N 3.31Å; R643-I646 HydrophobicContact CB-CG1 4Å; R643-I646 WeakPolarHBondContact O-CD1 3.24Å; R643-I646 VanDerWaalsContact O-CG1 3.31Å; R643-I646 WeakPolarHBondContact O-CG1 2.9Å; R643-V654 PolarHBondContact NH1-O 3.01Å; R643-N656 WeakPolarHBondContact CD-O 3.32Å; R643-I657 HydrophobicContact CG-CG2 4.1Å
644Q91.6Very high91.6Very high167 Ų16778.8 Ų78.878%0.7838%0.38SS*.SBendtrans-58.4-46.7177.2-169.4173.715.300110.6R281R281-Q644 PolarHBondContact NH1-O 3.19Å
645N92.8Very high91.7Very high138 Ų13878.4 Ų78.474%0.73838%0.378SS*.SBendtrans-104.2118.8175.7-61.7-36.4000110R643R643-N645 VanDerWaalsContact C-N 3.28Å; R643-N645 PolarHBondContact O-N 3.31Å
646I94.9Very high92.1Very high17 Ų1775.6 Ų75.69%0.08737%0.365CS..  trans-130.4122.2176.1-53.2172.7000107.7P277 Y278 F642 R643 Q655P277-I646 HydrophobicContact CB-CD1 4.17Å; Y278-I646 HydrophobicContact CD2-CB 4.34Å; Y278-I646 HydrophobicContact CD2-CG2 4.35Å; Y278-I646 WeakPolarHBondContact CD2-O 2.98Å; F642-I646 HydrophobicContact CB-CD1 4.01Å; F642-I646 HydrophobicContact CD1-CD1 4.22Å; R643-I646 HydrophobicContact CB-CG1 4Å; R643-I646 WeakPolarHBondContact O-CD1 3.24Å; R643-I646 VanDerWaalsContact O-CG1 3.31Å; R643-I646 WeakPolarHBondContact O-CG1 2.9Å; I646-Q655 HydrophobicContact CG2-CB 3.68Å; I646-Q655 HydrophobicContact CG2-CG 3.62Å
647S95Very high92.7Very high41 Ų4165.1 Ų65.129%0.28733%0.327SS..  trans-84.4131.4171.4169.60000110.2K649 D650 Q655S647-K649 PolarHBondContact O-N 3.01Å; S647-K649 PolarHBondContact OG-N 2.87Å; S647-D650 WeakPolarHBondContact CB-OD2 3.43Å; S647-D650 PolarHBondContact O-N 2.68Å; S647-Q655 PolarHBondContact O-NE2 3.04Å
648P94.4Very high93.2Very high79 Ų7965.8 Ų65.851%0.51333%0.333SS..THydrogen-bonded Turntrans-66.1-19.1173.326-33000113.1Y278 D650Y278-P648 HydrophobicContact CD1-CB 3.75Å; Y278-P648 HydrophobicContact CD2-CB 4.24Å; Y278-P648 HydrophobicContact CE1-CB 3.74Å; Y278-P648 HydrophobicContact CE1-CG 4.33Å; Y278-P648 HydrophobicContact CE2-CB 4.24Å; Y278-P648 HydrophobicContact CE2-CG 4.22Å; Y278-P648 HydrophobicContact CG-CB 4Å; P648-D650 VanDerWaalsContact C-N 3.34Å
649K94.7Very high93.9Very high196 Ų19662.8 Ų62.885%0.85232%0.32SS*.THydrogen-bonded Turntrans-78.5-20.5179.5-60.3-179.6179.9178.20112.6S647S647-K649 PolarHBondContact O-N 3.01Å; S647-K649 PolarHBondContact OG-N 2.87Å
650D94.2Very high94.3Very high70 Ų7061.8 Ų61.837%0.37431%0.314SS..SBendtrans-75152-176.7-70.5-14.7000111.9S647 P648 V654 Q655S647-D650 WeakPolarHBondContact CB-OD2 3.43Å; S647-D650 PolarHBondContact O-N 2.68Å; P648-D650 VanDerWaalsContact C-N 3.34Å; D650-V654 HydrophobicContact CB-CB 4.11Å; D650-V654 HydrophobicContact CB-CG1 4.11Å; D650-Q655 HydrophobicContact CB-CG 3.9Å; D650-Q655 PolarHBondContact O-NE2 3.39Å
651K93.2Very high94.7Very high176 Ų17660.9 Ų60.977%0.76531%0.312SS*.  trans-67.1154.8171.4-65.5179.3-178.7173.60110.6A653 V654 Q655K651-A653 PolarHBondContact O-N 3.14Å; K651-A653 VanDerWaalsContact O-N 3.09Å; K651-V654 PolarHBondContact O-N 3.36Å; K651-Q655 PolarHBondContact O-N 3.05Å
652C91.6Very high94.9Very high23 Ų2359.9 Ų59.916%0.15531%0.307CS..Hα-helixtrans-49.7-40.1178.5-73.70000113.4V654 Q655 N656 G682 I683C652-V654 PolarHBondContact O-N 3.08Å; C652-Q655 PolarHBondContact O-N 3.27Å; C652-N656 PolarHBondContact O-N 2.86Å; C652-N656 PolarHBondContact O-ND2 2.82Å; C652-G682 CarbonylContact C-O 3.52Å; C652-I683 WeakPolarHBondContact CB-O 3.44Å
653A92.4Very high95Very high48 Ų4858.2 Ų58.240%0.39730%0.3SS..Hα-helixtrans-60.7-29.5179.700000113.7K651 V681 G682K651-A653 PolarHBondContact O-N 3.14Å; K651-A653 VanDerWaalsContact O-N 3.09Å; A653-V681 HydrophobicContact CB-CG2 3.98Å; A653-G682 VanDerWaalsContact CA-O 3.31Å; A653-G682 WeakPolarHBondContact CA-O 3.27Å; A653-G682 PolarHBondContact N-O 3.23Å
654V94.8Very high94.9Very high71 Ų7155 Ų5543%0.4329%0.292SS..Hα-helixtrans-90.9-34.2178.4179.10000111.3R643 D650 K651 C652 N656R643-V654 PolarHBondContact NH1-O 3.01Å; D650-V654 HydrophobicContact CB-CB 4.11Å; D650-V654 HydrophobicContact CB-CG1 4.11Å; K651-V654 PolarHBondContact O-N 3.36Å; C652-V654 PolarHBondContact O-N 3.08Å; V654-N656 VanDerWaalsContact C-N 3.31Å; V654-N656 PolarHBondContact O-N 2.64Å
655Q96.3Very high94.8Very high10 Ų1050.8 Ų50.85%0.04728%0.277CS..Hα-helixtrans-66.1-32.9176-67.3-169.219.800112.7P277 I646 S647 D650 K651 C652P277-Q655 HydrophobicContact CB-CB 3.99Å; P277-Q655 HydrophobicContact CG-CB 3.73Å; I646-Q655 HydrophobicContact CG2-CB 3.68Å; I646-Q655 HydrophobicContact CG2-CG 3.62Å; S647-Q655 PolarHBondContact O-NE2 3.04Å; D650-Q655 HydrophobicContact CB-CG 3.9Å; D650-Q655 PolarHBondContact O-NE2 3.39Å; K651-Q655 PolarHBondContact O-N 3.05Å; C652-Q655 PolarHBondContact O-N 3.27Å
656N96.3Very high94.3Very high2 Ų245 Ų451%0.01125%0.251CS..SBendtrans-71.1157.6177.7-83.2-65.9000111.3P277 R643 C652 V654 G682 G685 T686 S687P277-N656 HydrophobicContact CG-CB 4.26Å; P277-N656 VanDerWaalsContact CG-CG 3.41Å; P277-N656 WeakPolarHBondContact CG-OD1 3.38Å; R643-N656 WeakPolarHBondContact CD-O 3.32Å; C652-N656 PolarHBondContact O-N 2.86Å; C652-N656 PolarHBondContact O-ND2 2.82Å; V654-N656 VanDerWaalsContact C-N 3.31Å; V654-N656 PolarHBondContact O-N 2.64Å; N656-G682 PolarHBondContact ND2-O 3.41Å; N656-G682 VanDerWaalsContact ND2-O 3.11Å; N656-G685 PolarHBondContact ND2-O 2.96Å; N656-T686 WeakPolarHBondContact OD1-CA 3.37Å; N656-S687 PolarHBondContact OD1-N 2.79Å; N656-S687 PolarHBondContact OD1-OG 2.82Å
657I96.1Very high93.9Very high14 Ų1445.6 Ų45.67%0.07226%0.255CS..PPolyproline II helixtrans-59143.1165.556.3167.1000110.2F641 R643 T661 C678 P689F641-I657 HydrophobicContact CB-CD1 3.75Å; F641-I657 HydrophobicContact CB-CG2 4.32Å; F641-I657 HydrophobicContact CG-CD1 4.5Å; R643-I657 HydrophobicContact CG-CG2 4.1Å; I657-T661 HydrophobicContact CB-CG2 4.33Å; I657-T661 HydrophobicContact CD1-CG2 3.87Å; I657-C678 HydrophobicContact CD1-CB 3.51Å; I657-C678 HydrophobicContact CG1-CB 4.11Å; I657-P689 HydrophobicContact CD1-CG 3.75Å
658P95.6Very high93.4Very high37 Ų3744.4 Ų44.424%0.2425%0.246CC..PPolyproline II helixtrans-68.4153.7-176.828-34.5000111.6V318 T661V318-P658 HydrophobicContact CG1-CG 4.22Å; V318-P658 HydrophobicContact CG2-CG 3.74Å; P658-T661 WeakPolarHBondContact CD-OG1 3.47Å; P658-T661 WeakPolarHBondContact CG-OG1 3.45Å; P658-T661 WeakPolarHBondContact O-CB 3.38Å; P658-T661 PolarHBondContact O-N 3.28Å; P658-T661 PolarHBondContact O-OG1 3.01Å
659P96.8Very high92.9Very high6 Ų642.7 Ų42.74%0.03924%0.236CC..THydrogen-bonded Turntrans-53.5143.2168.2-27.339.5000111.6T661 C678 V681P659-T661 VanDerWaalsContact C-N 3.31Å; P659-C678 CarbonylContact C-O 3.45Å; P659-C678 VanDerWaalsContact CA-O 3.23Å; P659-C678 WeakPolarHBondContact CA-O 3.05Å; P659-V681 HydrophobicContact CG-CB 3.98Å
660G97.1Very high92Very high0 Ų036.5 Ų36.50%022%0.221CC..THydrogen-bonded Turntrans85.7-2.1-174.200000114L319 V662 C678L319-G660 PolarHBondContact N-O 2.79Å; G660-V662 PolarHBondContact O-N 3.37Å; G660-C678 PolarHBondContact N-O 3.08Å
661T97.9Very high91.3Very high13 Ų1342.6 Ų42.68%0.0825%0.245CC..EExtended strand (participates in β ladder)trans-64.4120.6174.5-57.90000110.5R317 I657 P658 P659 L677 C678R317-T661 CarbonylContact O-C 3.55Å; R317-T661 VanDerWaalsContact O-CA 3.24Å; R317-T661 WeakPolarHBondContact O-CA 3.41Å; I657-T661 HydrophobicContact CB-CG2 4.33Å; I657-T661 HydrophobicContact CD1-CG2 3.87Å; P658-T661 WeakPolarHBondContact CD-OG1 3.47Å; P658-T661 WeakPolarHBondContact CG-OG1 3.45Å; P658-T661 WeakPolarHBondContact O-CB 3.38Å; P658-T661 PolarHBondContact O-N 3.28Å; P658-T661 PolarHBondContact O-OG1 3.01Å; P659-T661 VanDerWaalsContact C-N 3.31Å; T661-L677 WeakPolarHBondContact O-CA 3.33Å; T661-C678 PolarHBondContact O-N 2.88Å
662V98.2Very high91.1Very high0 Ų037.9 Ų37.90%023%0.227CC..EExtended strand (participates in β ladder)trans-111.1139.8174.4173.70000109.9G316 R317 L319 G660 D664 F676 L677 Q707G316-V662 CarbonylContact C-O 3.58Å; G316-V662 VanDerWaalsContact CA-O 3.23Å; G316-V662 WeakPolarHBondContact CA-O 3.42Å; R317-V662 PolarHBondContact N-O 2.95Å; R317-V662 PolarHBondContact O-N 2.94Å; L319-V662 HydrophobicContact CD1-CG2 3.61Å; L319-V662 HydrophobicContact CD2-CG2 4.3Å; L319-V662 HydrophobicContact CG-CG2 3.72Å; G660-V662 PolarHBondContact O-N 3.37Å; V662-D664 HydrophobicContact CG1-CB 4.47Å; V662-F676 CarbonylContact C-O 3.52Å; V662-F676 VanDerWaalsContact CA-O 3.24Å; V662-F676 WeakPolarHBondContact CA-O 3.16Å; V662-L677 HydrophobicContact CG2-CB 4.39Å; V662-L677 HydrophobicContact CG2-CD1 3.65Å; V662-Q707 HydrophobicContact CG1-CG 4.06Å; V662-Q707 HydrophobicContact CG2-CB 4.38Å
663V96.4Very high91.1Very high4 Ų440.3 Ų40.32%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-131.1111169.71760000108.3I314 F641 V665 P667 F675 F676I314-V663 HydrophobicContact CD1-CB 4.17Å; I314-V663 HydrophobicContact CD1-CG1 3.4Å; I314-V663 VanDerWaalsContact CD1-CG1 3.4Å; I314-V663 HydrophobicContact CD1-CG2 3.65Å; F641-V663 HydrophobicContact CD1-CG2 3.95Å; F641-V663 HydrophobicContact CE1-CB 3.94Å; F641-V663 HydrophobicContact CE1-CG1 3.8Å; F641-V663 HydrophobicContact CE1-CG2 3.71Å; F641-V663 HydrophobicContact CZ-CB 3.98Å; F641-V663 HydrophobicContact CZ-CG1 4.06Å; F641-V663 HydrophobicContact CZ-CG2 4.11Å; V663-V665 VanDerWaalsContact CG1-O 3.29Å; V663-V665 WeakPolarHBondContact CG1-O 3.26Å; V663-P667 HydrophobicContact CG1-CG 4.21Å; V663-F675 WeakPolarHBondContact O-CA 3.46Å; V663-F676 HydrophobicContact CB-CB 4.32Å; V663-F676 PolarHBondContact N-O 3.32Å; V663-F676 PolarHBondContact O-N 3.33Å
664D93.6Very high91.2Very high44 Ų4438.5 Ų38.524%0.23522%0.219CC..  trans-122.311.517956.7-13.3000112.5R317 V662 V668 F675 Q707R317-D664 IonicContact CZ-OD2 3.8Å; R317-D664 IonicContact NE-OD1 3.46Å; R317-D664 IonicContact NH2-OD1 2.62Å; R317-D664 IonicContact NH2-OD2 3.59Å; R317-D664 PolarHBondContact NH2-OD2 3.49Å; V662-D664 HydrophobicContact CG1-CB 4.47Å; D664-V668 WeakPolarHBondContact O-CG2 3.5Å; D664-F675 HydrophobicContact CB-CB 3.86Å; D664-Q707 PolarHBondContact OD2-NE2 3.15Å
665V87.7Confident91.3Very high77 Ų7735.1 Ų35.147%0.46720%0.198SC..SBendtrans-136.8144.5174.8-1740000108.7V663 P667V663-V665 VanDerWaalsContact CG1-O 3.29Å; V663-V665 WeakPolarHBondContact CG1-O 3.26Å; V665-P667 WeakPolarHBondContact O-CD 3.27Å
666G84.3Confident91.4Very high18 Ų1834.8 Ų34.819%0.18620%0.197CC..SBendtrans101.4-95.1176.900000112.3V117 V668V117-G666 WeakPolarHBondContact CG1-O 3.38Å; G666-V668 PolarHBondContact O-N 3.29Å
667P84.5Confident91.5Very high28 Ų2834.7 Ų34.718%0.18220%0.196CC..SBendtrans-86.923.7-175.237-36.7000114.1A129 F641 V663 V665 F676A129-P667 HydrophobicContact CB-CB 4.45Å; F641-P667 HydrophobicContact CE1-CG 3.88Å; F641-P667 HydrophobicContact CZ-CG 4Å; V663-P667 HydrophobicContact CG1-CG 4.21Å; V665-P667 WeakPolarHBondContact O-CD 3.27Å; P667-F676 HydrophobicContact CG-CE2 4.34Å
668V86.4Confident91.5Very high17 Ų1734 Ų3410%0.10319%0.193CC..SBendtrans-96170.9178.4-64.30000111V117 D664 G666 F676V117-V668 VanDerWaalsContact CG1-O 3.28Å; V117-V668 WeakPolarHBondContact CG1-O 3.39Å; D664-V668 WeakPolarHBondContact O-CG2 3.5Å; G666-V668 PolarHBondContact O-N 3.29Å; V668-F676 HydrophobicContact CG1-CD2 4Å; V668-F676 HydrophobicContact CG1-CE2 4.04Å
669S82.1Confident91.6Very high43 Ų4332.2 Ų32.230%0.30118%0.181SC..  trans-66.4137.8176.6-171.80000111.6K671 L672 D674S669-K671 PolarHBondContact O-N 3.27Å; S669-K671 PolarHBondContact OG-N 2.73Å; S669-L672 PolarHBondContact OG-N 2.99Å; S669-L672 VanDerWaalsContact OG-N 3.07Å; S669-D674 WeakPolarHBondContact CA-OD1 3.49Å; S669-D674 WeakPolarHBondContact CB-OD1 3.09Å; S669-D674 PolarHBondContact N-OD1 2.84Å; S669-D674 PolarHBondContact N-OD2 2.91Å
670A76.4Confident91.6Very high65 Ų6533.5 Ų33.554%0.53719%0.186SC..SBendtrans-74.8-9.9170.100000113.2
671K79.9Confident91.5Very high199 Ų19934.7 Ų34.787%0.86519%0.194SC*.SBendtrans-122-26.8-173.5-66-175179.7179.80114S669S669-K671 PolarHBondContact O-N 3.27Å; S669-K671 PolarHBondContact OG-N 2.73Å
672L87.8Confident91.2Very high76 Ų7634.2 Ų34.240%0.39819%0.192SC..SBendtrans-100.8154.6-176.9-55.8175.7000109.7F602 S669 D674 T693F602-L672 HydrophobicContact CD2-CD1 4.08Å; F602-L672 HydrophobicContact CE2-CD1 4.06Å; S669-L672 PolarHBondContact OG-N 2.99Å; S669-L672 VanDerWaalsContact OG-N 3.07Å; L672-D674 PolarHBondContact O-N 3.03Å; L672-T693 HydrophobicContact CB-CG2 4.12Å; L672-T693 HydrophobicContact CD1-CG2 3.98Å
673F93.2Very high90.9Very high75 Ų7539.3 Ų39.333%0.32922%0.218SC..EExtended strand (participates in β ladder)trans-83.988.2168.9-178.3-172.6000108.6V694 A703 I706F673-V694 HydrophobicContact CB-CB 4.15Å; F673-V694 HydrophobicContact CD1-CB 3.81Å; F673-V694 HydrophobicContact CD1-CG1 4.15Å; F673-V694 HydrophobicContact CD1-CG2 3.92Å; F673-V694 HydrophobicContact CE1-CB 4.46Å; F673-V694 HydrophobicContact CE1-CG2 4.15Å; F673-V694 HydrophobicContact CG-CB 4.05Å; F673-V694 HydrophobicContact CG-CG2 4.14Å; F673-V694 PolarHBondContact O-N 3.06Å; F673-A703 HydrophobicContact CE2-CB 4.08Å; F673-A703 HydrophobicContact CZ-CB 4.22Å; F673-I706 HydrophobicContact CE1-CG2 4.4Å; F673-I706 HydrophobicContact CE2-CG2 4.25Å; F673-I706 HydrophobicContact CZ-CG2 3.69Å
674D94Very high90.6Very high9 Ų944.6 Ų44.65%0.04824%0.242CC..EExtended strand (participates in β ladder)trans-129.5155.5179.573.3-46.8000114.1S669 L672 Q691 Y692 T693S669-D674 WeakPolarHBondContact CA-OD1 3.49Å; S669-D674 WeakPolarHBondContact CB-OD1 3.09Å; S669-D674 PolarHBondContact N-OD1 2.84Å; S669-D674 PolarHBondContact N-OD2 2.91Å; L672-D674 PolarHBondContact O-N 3.03Å; D674-Q691 PolarHBondContact OD2-NE2 3.39Å; D674-Y692 CarbonylContact C-O 3.6Å; D674-Y692 WeakPolarHBondContact CA-O 3.33Å; D674-Y692 WeakPolarHBondContact CB-O 3.47Å; D674-T693 HydrophobicContact CB-CG2 4.24Å
675F96.9Very high90.5Very high0 Ų042.6 Ų42.60%023%0.232CC..EExtended strand (participates in β ladder)trans-153.5153.8178.960.1-87.8000110.9V663 D664 L677 Q691 Y692 I706 Q707V663-F675 WeakPolarHBondContact O-CA 3.46Å; D664-F675 HydrophobicContact CB-CB 3.86Å; F675-L677 HydrophobicContact CD2-CB 4.28Å; F675-L677 HydrophobicContact CE2-CB 4.25Å; F675-Q691 WeakPolarHBondContact O-CA 3.14Å; F675-Y692 HydrophobicContact CD2-CD2 4.05Å; F675-Y692 HydrophobicContact CD2-CG 4.28Å; F675-Y692 HydrophobicContact CE1-CG 4.42Å; F675-Y692 HydrophobicContact CE2-CD1 4.33Å; F675-Y692 AromaticContact CE2-CD2 3.6Å; F675-Y692 HydrophobicContact CE2-CD2 3.6Å; F675-Y692 HydrophobicContact CE2-CE2 4.38Å; F675-Y692 AromaticContact CE2-CG 3.58Å; F675-Y692 HydrophobicContact CE2-CG 3.58Å; F675-Y692 HydrophobicContact CZ-CD1 4.18Å; F675-Y692 HydrophobicContact CZ-CD2 4.19Å; F675-Y692 AromaticContact CZ-CG 3.67Å; F675-Y692 HydrophobicContact CZ-CG 3.67Å; F675-Y692 PolarHBondContact N-O 3.18Å; F675-Y692 PolarHBondContact O-N 3.14Å; F675-I706 HydrophobicContact CE1-CG1 4.42Å; F675-I706 HydrophobicContact CE1-CG2 3.75Å; F675-I706 HydrophobicContact CZ-CG1 4.49Å; F675-I706 HydrophobicContact CZ-CG2 4.24Å; F675-Q707 HydrophobicContact CD1-CG 4Å; F675-Q707 HydrophobicContact CD2-CG 3.68Å; F675-Q707 HydrophobicContact CE1-CG 4.06Å; F675-Q707 HydrophobicContact CE2-CB 4.29Å; F675-Q707 HydrophobicContact CE2-CG 3.74Å; F675-Q707 HydrophobicContact CG-CG 3.8Å; F675-Q707 HydrophobicContact CZ-CG 3.93Å
676F97.7Very high90.7Very high3 Ų339.4 Ų39.41%0.01321%0.213CC..EExtended strand (participates in β ladder)trans-96.8137.7168.5-64.5-90.2000110.1H637 T639 F641 V662 V663 P667 V668 P689 C690 Q691H637-F676 AromaticContact CE1-CD1 3.96Å; H637-F676 AromaticContact CE1-CE1 3.64Å; H637-F676 AromaticContact ND1-CE1 3.8Å; T639-F676 HydrophobicContact CG2-CE1 4.21Å; T639-F676 HydrophobicContact CG2-CE2 4.5Å; T639-F676 HydrophobicContact CG2-CZ 4.05Å; F641-F676 HydrophobicContact CE2-CB 3.7Å; F641-F676 AromaticContact CE2-CD1 3.86Å; F641-F676 HydrophobicContact CE2-CD1 3.86Å; F641-F676 HydrophobicContact CE2-CD2 4.12Å; F641-F676 AromaticContact CE2-CG 3.62Å; F641-F676 HydrophobicContact CE2-CG 3.62Å; F641-F676 HydrophobicContact CZ-CB 3.91Å; F641-F676 HydrophobicContact CZ-CD1 4.25Å; F641-F676 AromaticContact CZ-CD2 3.68Å; F641-F676 HydrophobicContact CZ-CD2 3.68Å; F641-F676 HydrophobicContact CZ-CE2 4.26Å; F641-F676 AromaticContact CZ-CG 3.67Å; F641-F676 HydrophobicContact CZ-CG 3.67Å; V662-F676 CarbonylContact C-O 3.52Å; V662-F676 VanDerWaalsContact CA-O 3.24Å; V662-F676 WeakPolarHBondContact CA-O 3.16Å; V663-F676 HydrophobicContact CB-CB 4.32Å; V663-F676 PolarHBondContact N-O 3.32Å; V663-F676 PolarHBondContact O-N 3.33Å; P667-F676 HydrophobicContact CG-CE2 4.34Å; V668-F676 HydrophobicContact CG1-CD2 4Å; V668-F676 HydrophobicContact CG1-CE2 4.04Å; F676-P689 HydrophobicContact CB-CB 4.37Å; F676-C690 CarbonylContact C-O 3.46Å; F676-C690 WeakPolarHBondContact CA-O 3.5Å; F676-Q691 HydrophobicContact CD1-CB 3.85Å; F676-Q691 HydrophobicContact CD1-CG 4.23Å; F676-Q691 HydrophobicContact CE1-CB 3.61Å; F676-Q691 HydrophobicContact CE1-CG 3.82Å; F676-Q691 HydrophobicContact CE2-CG 4.45Å; F676-Q691 HydrophobicContact CZ-CB 4.25Å; F676-Q691 HydrophobicContact CZ-CG 3.94Å
677L98.2Very high91.1Very high0 Ų038.9 Ų38.90%021%0.206CC..EExtended strand (participates in β ladder)trans-131.2121.5173.4166.367.3000110.5L319 T661 V662 F675 S679 P689 C690 Y692 Y711L319-L677 HydrophobicContact CD1-CD1 4.21Å; T661-L677 WeakPolarHBondContact O-CA 3.33Å; V662-L677 HydrophobicContact CG2-CB 4.39Å; V662-L677 HydrophobicContact CG2-CD1 3.65Å; F675-L677 HydrophobicContact CD2-CB 4.28Å; F675-L677 HydrophobicContact CE2-CB 4.25Å; L677-S679 PolarHBondContact O-N 2.74Å; L677-P689 CarbonylContact O-C 3.57Å; L677-P689 WeakPolarHBondContact O-CA 3.33Å; L677-C690 PolarHBondContact N-O 3.49Å; L677-C690 PolarHBondContact O-N 2.78Å; L677-Y692 HydrophobicContact CB-CD2 4.13Å; L677-Y692 HydrophobicContact CB-CE2 3.72Å; L677-Y692 HydrophobicContact CD2-CE2 4.15Å; L677-Y692 HydrophobicContact CG-CE2 4.38Å; L677-Y711 HydrophobicContact CD1-CD2 4.35Å; L677-Y711 HydrophobicContact CD1-CG 4.38Å
678C97.9Very high91.5Very high0 Ų041.9 Ų41.90%022%0.216CC..EExtended strand (participates in β ladder)trans-92.583.6169.6-166.70000109.6I657 P659 G660 T661 H680 P689I657-C678 HydrophobicContact CD1-CB 3.51Å; I657-C678 HydrophobicContact CG1-CB 4.11Å; P659-C678 CarbonylContact C-O 3.45Å; P659-C678 VanDerWaalsContact CA-O 3.23Å; P659-C678 WeakPolarHBondContact CA-O 3.05Å; G660-C678 PolarHBondContact N-O 3.08Å; T661-C678 PolarHBondContact O-N 2.88Å; C678-H680 VanDerWaalsContact C-N 3.32Å; C678-H680 PolarHBondContact O-N 3.23Å; C678-P689 HydrophobicContact CB-CB 3.85Å; C678-P689 HydrophobicContact CB-CG 3.67Å
679S97.5Very high91.9Very high0 Ų041.2 Ų41.20%021%0.212CC..  trans-76.9-12.8-177.254.80000115L677 C714 S723 V724 S725L677-S679 PolarHBondContact O-N 2.74Å; S679-C714 WeakPolarHBondContact CB-SG 3.41Å; S679-C714 PolarHBondContact OG-SG 2.77Å; S679-S723 WeakPolarHBondContact O-CB 3.49Å; S679-S723 PolarHBondContact O-OG 2.79Å; S679-V724 WeakPolarHBondContact CB-O 3.24Å; S679-V724 PolarHBondContact OG-O 3.06Å; S679-S725 VanDerWaalsContact OG-CA 3.32Å; S679-S725 WeakPolarHBondContact OG-CA 3.13Å; S679-S725 PolarHBondContact OG-O 3.14Å
680H95.9Very high92.6Very high32 Ų3239.1 Ų39.115%0.14820%0.198CC..SBendtrans-122.3155.4-168.265-71.1000112.9C678 K688 S723 S725C678-H680 VanDerWaalsContact C-N 3.32Å; C678-H680 PolarHBondContact O-N 3.23Å; H680-K688 PolarHBondContact CE1-O 3.47Å; H680-S723 WeakPolarHBondContact CB-O 3.32Å; H680-S725 WeakPolarHBondContact ND1-CA 3.27Å; H680-S725 VanDerWaalsContact ND1-CB 3.28Å; H680-S725 WeakPolarHBondContact ND1-CB 3.45Å
681V95.1Very high93.5Very high25 Ų2537.3 Ų37.315%0.15218%0.178CC..  trans-75128.3173.459.90000111.1V342 A653 P659 I683V342-V681 HydrophobicContact CG2-CG1 3.95Å; A653-V681 HydrophobicContact CB-CG2 3.98Å; P659-V681 HydrophobicContact CG-CB 3.98Å; V681-I683 VanDerWaalsContact C-N 3.32Å; V681-I683 HydrophobicContact CG1-CG1 4.02Å; V681-I683 PolarHBondContact O-N 3.42Å
682G92.6Very high94.4Very high4 Ų427.8 Ų27.84%0.04114%0.137CC..  trans-76.275.8175.800000112.5C652 A653 N656 Q684 S687C652-G682 CarbonylContact C-O 3.52Å; A653-G682 VanDerWaalsContact CA-O 3.31Å; A653-G682 WeakPolarHBondContact CA-O 3.27Å; A653-G682 PolarHBondContact N-O 3.23Å; N656-G682 PolarHBondContact ND2-O 3.41Å; N656-G682 VanDerWaalsContact ND2-O 3.11Å; G682-Q684 VanDerWaalsContact C-N 3.29Å; G682-Q684 PolarHBondContact O-N 3.02Å; G682-S687 WeakPolarHBondContact CA-OG 3.23Å
683I90.6Very high94.8Very high107 Ų10724.2 Ų24.255%0.54912%0.118SC..  trans-58.6-41.7-176.4-56.4165.8000111.5C652 V681C652-I683 WeakPolarHBondContact CB-O 3.44Å; V681-I683 VanDerWaalsContact C-N 3.32Å; V681-I683 HydrophobicContact CG1-CG1 4.02Å; V681-I683 PolarHBondContact O-N 3.42Å
684Q89.8Confident95Very high115 Ų11521.2 Ų21.254%0.53711%0.106SC..SBendtrans-141.6138.8-176.1-158.1-169.1-17.500110.2A274 G682A274-Q684 HydrophobicContact CB-CG 3.75Å; G682-Q684 VanDerWaalsContact C-N 3.29Å; G682-Q684 PolarHBondContact O-N 3.02Å
685G91.3Very high95Very high2 Ų222.1 Ų22.12%0.02111%0.111CC..SBendtrans63.9-163.5-176.100000112.8V275 N656V275-G685 CarbonylContact O-C 3.35Å; V275-G685 WeakPolarHBondContact O-CA 3.24Å; N656-G685 PolarHBondContact ND2-O 2.96Å
686T91.9Very high95Very high10 Ų1025.1 Ų25.16%0.06112%0.122CC..  trans-86132.1173.6-36.10000112V275 P277 R280 F642 N656V275-T686 PolarHBondContact O-N 3.42Å; V275-T686 PolarHBondContact O-OG1 3.13Å; P277-T686 HydrophobicContact CB-CG2 4.37Å; P277-T686 HydrophobicContact CG-CG2 4.26Å; R280-T686 VanDerWaalsContact CD-OG1 3.26Å; R280-T686 WeakPolarHBondContact CD-OG1 3.37Å; R280-T686 PolarHBondContact NH1-OG1 2.69Å; F642-T686 HydrophobicContact CD1-CG2 4.44Å; F642-T686 HydrophobicContact CE1-CG2 3.8Å; F642-T686 HydrophobicContact CZ-CG2 4.34Å; N656-T686 WeakPolarHBondContact OD1-CA 3.37Å
687S93.3Very high95Very high7 Ų727 Ų275%0.04913%0.133CC..  trans-55.8151.8173.1-66.30000111.8N656 G682N656-S687 PolarHBondContact OD1-N 2.79Å; N656-S687 PolarHBondContact OD1-OG 2.82Å; G682-S687 WeakPolarHBondContact CA-OG 3.23Å
688K92.7Very high94.9Very high90 Ų9030.5 Ų30.539%0.39115%0.152SC..  trans-119.691.8172.9-62.2-173.4-177.9-178.50108.3H680H680-K688 PolarHBondContact CE1-O 3.47Å
689P95.4Very high94.9Very high3 Ų330.8 Ų30.82%0.01915%0.153CC..PPolyproline II helixtrans-61.5135.6175.6-27.343.1000108.8H637 F641 I657 F676 L677 C678H637-P689 PolarHBondContact CE1-O 2.81Å; H637-P689 VanDerWaalsContact CE1-O 3.25Å; H637-P689 PolarHBondContact NE2-O 2.95Å; F641-P689 HydrophobicContact CD2-CB 4.18Å; F641-P689 HydrophobicContact CD2-CG 3.7Å; F641-P689 HydrophobicContact CE2-CB 4.31Å; F641-P689 HydrophobicContact CE2-CG 4.32Å; I657-P689 HydrophobicContact CD1-CG 3.75Å; F676-P689 HydrophobicContact CB-CB 4.37Å; L677-P689 CarbonylContact O-C 3.57Å; L677-P689 WeakPolarHBondContact O-CA 3.33Å; C678-P689 HydrophobicContact CB-CB 3.85Å; C678-P689 HydrophobicContact CB-CG 3.67Å
690C96.8Very high94.9Very high0 Ų033 Ų330%018%0.176CC..EExtended strand (participates in β ladder)trans-78.7142.9178.9-67.60000109.7V633 Q634 F676 L677 Y692 S725 L726V633-C690 HydrophobicContact CG1-CB 4.06Å; Q634-C690 WeakPolarHBondContact O-CA 3.44Å; F676-C690 CarbonylContact C-O 3.46Å; F676-C690 WeakPolarHBondContact CA-O 3.5Å; L677-C690 PolarHBondContact N-O 3.49Å; L677-C690 PolarHBondContact O-N 2.78Å; C690-Y692 HydrophobicContact CB-CD2 4.4Å; C690-Y692 HydrophobicContact CB-CE2 3.68Å; C690-Y692 WeakPolarHBondContact O-CD2 3.39Å; C690-Y692 WeakPolarHBondContact O-CE2 3.21Å; C690-S725 PolarHBondContact SG-O 3.21Å; C690-L726 HydrophobicContact CB-CD2 4.47Å; C690-L726 VanDerWaalsContact SG-CD2 3.55Å
691Q96Very high94.9Very high26 Ų2632.1 Ų32.112%0.12117%0.172CC..EExtended strand (participates in β ladder)trans-87.1135168.3-168175.3-1.400109V633 Q634 D674 F675 F676V633-Q691 CarbonylContact C-O 3.59Å; V633-Q691 WeakPolarHBondContact CA-O 3.31Å; Q634-Q691 HydrophobicContact CB-CB 4.37Å; Q634-Q691 PolarHBondContact N-O 3.27Å; Q634-Q691 PolarHBondContact O-N 2.99Å; D674-Q691 PolarHBondContact OD2-NE2 3.39Å; F675-Q691 WeakPolarHBondContact O-CA 3.14Å; F676-Q691 HydrophobicContact CD1-CB 3.85Å; F676-Q691 HydrophobicContact CD1-CG 4.23Å; F676-Q691 HydrophobicContact CE1-CB 3.61Å; F676-Q691 HydrophobicContact CE1-CG 3.82Å; F676-Q691 HydrophobicContact CE2-CG 4.45Å; F676-Q691 HydrophobicContact CZ-CB 4.25Å; F676-Q691 HydrophobicContact CZ-CG 3.94Å
692Y98Very high95Very high0 Ų034.7 Ų34.70%018%0.184CC..EExtended strand (participates in β ladder)trans-117.7126.6176.3-66.5-102.8000107.1Y593 V631 V632 V633 D674 F675 L677 C690 P727Y593-Y692 HydrophobicContact CD1-CE1 4.45Å; Y593-Y692 HydrophobicContact CE1-CD1 4.24Å; Y593-Y692 HydrophobicContact CE1-CE1 4.12Å; V631-Y692 HydrophobicContact CG1-CD1 4Å; V632-Y692 CarbonylContact O-C 3.44Å; V632-Y692 WeakPolarHBondContact O-CA 3.2Å; V633-Y692 HydrophobicContact CG1-CD1 4.32Å; V633-Y692 HydrophobicContact CG1-CE1 3.94Å; V633-Y692 HydrophobicContact CG2-CD1 3.76Å; V633-Y692 HydrophobicContact CG2-CE1 3.76Å; D674-Y692 CarbonylContact C-O 3.6Å; D674-Y692 WeakPolarHBondContact CA-O 3.33Å; D674-Y692 WeakPolarHBondContact CB-O 3.47Å; F675-Y692 HydrophobicContact CD2-CD2 4.05Å; F675-Y692 HydrophobicContact CD2-CG 4.28Å; F675-Y692 HydrophobicContact CE1-CG 4.42Å; F675-Y692 HydrophobicContact CE2-CD1 4.33Å; F675-Y692 AromaticContact CE2-CD2 3.6Å; F675-Y692 HydrophobicContact CE2-CD2 3.6Å; F675-Y692 HydrophobicContact CE2-CE2 4.38Å; F675-Y692 AromaticContact CE2-CG 3.58Å; F675-Y692 HydrophobicContact CE2-CG 3.58Å; F675-Y692 HydrophobicContact CZ-CD1 4.18Å; F675-Y692 HydrophobicContact CZ-CD2 4.19Å; F675-Y692 AromaticContact CZ-CG 3.67Å; F675-Y692 HydrophobicContact CZ-CG 3.67Å; F675-Y692 PolarHBondContact N-O 3.18Å; F675-Y692 PolarHBondContact O-N 3.14Å; L677-Y692 HydrophobicContact CB-CD2 4.13Å; L677-Y692 HydrophobicContact CB-CE2 3.72Å; L677-Y692 HydrophobicContact CD2-CE2 4.15Å; L677-Y692 HydrophobicContact CG-CE2 4.38Å; C690-Y692 HydrophobicContact CB-CD2 4.4Å; C690-Y692 HydrophobicContact CB-CE2 3.68Å; C690-Y692 WeakPolarHBondContact O-CD2 3.39Å; C690-Y692 WeakPolarHBondContact O-CE2 3.21Å; Y692-P727 HydrophobicContact CE1-CG 3.68Å; Y692-P727 VanDerWaalsContact OH-CD 3.3Å; Y692-P727 WeakPolarHBondContact OH-CD 3.45Å
693T96.5Very high95.1Very high1 Ų136 Ų361%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-121.7117175.3-55.10000108.7F602 V631 V632 L672 D674 L695F602-T693 HydrophobicContact CD2-CG2 4.4Å; F602-T693 HydrophobicContact CE2-CG2 3.88Å; F602-T693 HydrophobicContact CZ-CG2 4.47Å; V631-T693 CarbonylContact C-O 3.6Å; V631-T693 WeakPolarHBondContact CA-O 3.26Å; V632-T693 PolarHBondContact N-O 3.25Å; V632-T693 PolarHBondContact O-N 2.68Å; L672-T693 HydrophobicContact CB-CG2 4.12Å; L672-T693 HydrophobicContact CD1-CG2 3.98Å; D674-T693 HydrophobicContact CB-CG2 4.24Å; T693-L695 HydrophobicContact CG2-CD2 3.72Å; T693-L695 PolarHBondContact O-N 3.27Å
694V97Very high95.4Very high11 Ų1135 Ų357%0.06719%0.191CC..EExtended strand (participates in β ladder)trans-80.7105.2173.4-173.80000107.6T629 V631 F673 D697 I706T629-V694 HydrophobicContact CG2-CG1 4.13Å; V631-V694 HydrophobicContact CG2-CG2 4.38Å; F673-V694 HydrophobicContact CB-CB 4.15Å; F673-V694 HydrophobicContact CD1-CB 3.81Å; F673-V694 HydrophobicContact CD1-CG1 4.15Å; F673-V694 HydrophobicContact CD1-CG2 3.92Å; F673-V694 HydrophobicContact CE1-CB 4.46Å; F673-V694 HydrophobicContact CE1-CG2 4.15Å; F673-V694 HydrophobicContact CG-CB 4.05Å; F673-V694 HydrophobicContact CG-CG2 4.14Å; F673-V694 PolarHBondContact O-N 3.06Å; V694-D697 HydrophobicContact CG1-CB 3.94Å; V694-I706 HydrophobicContact CG2-CG1 4.26Å
695L95Very high95.7Very high28 Ų2830 Ų3015%0.14717%0.168CC..EExtended strand (participates in β ladder)trans-83.7-26.8-179.7-64.8-174.3000112.5F602 V605 F606 M630 V632 T693F602-L695 HydrophobicContact CB-CD1 4.16Å; F602-L695 HydrophobicContact CB-CD2 3.94Å; F602-L695 HydrophobicContact CD2-CD2 3.77Å; F602-L695 HydrophobicContact CE2-CD2 4.42Å; F602-L695 HydrophobicContact CG-CD1 4.35Å; F602-L695 HydrophobicContact CG-CD2 3.88Å; V605-L695 HydrophobicContact CB-CD1 3.97Å; V605-L695 HydrophobicContact CG1-CD1 3.86Å; F606-L695 HydrophobicContact CD2-CB 4.36Å; F606-L695 VanDerWaalsContact CD2-O 3.26Å; F606-L695 WeakPolarHBondContact CD2-O 3.33Å; F606-L695 VanDerWaalsContact CE2-O 3.22Å; F606-L695 WeakPolarHBondContact CE2-O 3.35Å; M630-L695 PolarHBondContact O-N 2.86Å; V632-L695 HydrophobicContact CG2-CD1 3.45Å; V632-L695 VanDerWaalsContact CG2-CD1 3.45Å; V632-L695 HydrophobicContact CG2-CG 3.99Å; T693-L695 HydrophobicContact CG2-CD2 3.72Å; T693-L695 PolarHBondContact O-N 3.27Å
696Y96.1Very high96Very high63 Ų6329.9 Ų29.925%0.24717%0.167CC..EExtended strand (participates in β ladder)trans-156.7143.5-178.8-176.2-100.1000110F606 M610 L628 T629 M630 D698F606-Y696 AromaticContact CE2-CD2 3.71Å; F606-Y696 HydrophobicContact CE2-CD2 3.71Å; F606-Y696 HydrophobicContact CE2-CG 4.25Å; F606-Y696 HydrophobicContact CZ-CD2 4.26Å; M610-Y696 HydrophobicContact CE-CD2 4.15Å; M610-Y696 HydrophobicContact CE-CE2 4.21Å; M610-Y696 HydrophobicContact CE-CG 4.42Å; M610-Y696 HydrophobicContact SD-CD1 3.53Å; M610-Y696 VanDerWaalsContact SD-CD1 3.53Å; M610-Y696 HydrophobicContact SD-CD2 3.66Å; M610-Y696 HydrophobicContact SD-CE1 3.97Å; M610-Y696 HydrophobicContact SD-CE2 4.06Å; M610-Y696 HydrophobicContact SD-CG 3.34Å; L628-Y696 HydrophobicContact CB-CD1 4.49Å; L628-Y696 HydrophobicContact CB-CE1 4.25Å; L628-Y696 HydrophobicContact CG-CD1 4.45Å; L628-Y696 WeakPolarHBondContact O-CD1 3.48Å; T629-Y696 CarbonylContact C-O 3.5Å; T629-Y696 WeakPolarHBondContact CA-O 3.48Å; T629-Y696 WeakPolarHBondContact CG2-O 3.49Å; M630-Y696 PolarHBondContact N-O 3.39Å; Y696-D698 HydrophobicContact CE1-CB 4.25Å; Y696-D698 WeakPolarHBondContact CE1-OD2 3.15Å; Y696-D698 VanDerWaalsContact CZ-CG 3.44Å; Y696-D698 VanDerWaalsContact CZ-OD1 3.25Å; Y696-D698 VanDerWaalsContact CZ-OD2 3.23Å; Y696-D698 PolarHBondContact OH-OD1 3.28Å; Y696-D698 PolarHBondContact OH-OD2 3.34Å
697D97.1Very high96.3Very high44 Ų4429.4 Ų29.424%0.23517%0.165CC..EExtended strand (participates in β ladder)trans-154.9104.5179.3-176.732.6000114.5T629 V694 N699 G700 F701T629-D697 HydrophobicContact CG2-CB 4.04Å; T629-D697 PolarHBondContact OG1-OD1 2.92Å; V694-D697 HydrophobicContact CG1-CB 3.94Å; D697-N699 WeakPolarHBondContact OD1-CA 3.34Å; D697-N699 WeakPolarHBondContact OD1-CB 3.29Å; D697-N699 PolarHBondContact OD1-N 2.84Å; D697-G700 PolarHBondContact OD1-N 3.22Å; D697-G700 WeakPolarHBondContact OD2-CA 3.37Å; D697-G700 PolarHBondContact OD2-N 2.83Å; D697-F701 WeakPolarHBondContact OD1-CD2 3.45Å; D697-F701 WeakPolarHBondContact OD2-CB 3.36Å; D697-F701 PolarHBondContact OD2-N 2.8Å
698D97Very high96.5Very high73 Ų7330.1 Ų30.139%0.3917%0.167SC..SBendtrans-91.2-11.2168.6-72.6-26.3000113.2K627 L628 Y696 G700K627-D698 HydrophobicContact CB-CB 4.2Å; K627-D698 WeakPolarHBondContact CD-O 3.35Å; L628-D698 PolarHBondContact O-N 2.97Å; Y696-D698 HydrophobicContact CE1-CB 4.25Å; Y696-D698 WeakPolarHBondContact CE1-OD2 3.15Å; Y696-D698 VanDerWaalsContact CZ-CG 3.44Å; Y696-D698 VanDerWaalsContact CZ-OD1 3.25Å; Y696-D698 VanDerWaalsContact CZ-OD2 3.23Å; Y696-D698 PolarHBondContact OH-OD1 3.28Å; Y696-D698 PolarHBondContact OH-OD2 3.34Å; D698-G700 VanDerWaalsContact C-N 3.3Å
699N97.7Very high96.7Very high5 Ų525.8 Ų25.83%0.02715%0.149CC..SBendtrans-79-16.6-179.3-75.4-66.8000112.6W501 S589 K627 T629 D697 F701W501-N699 HydrophobicContact CH2-CB 3.81Å; W501-N699 HydrophobicContact CZ3-CB 4.02Å; S589-N699 VanDerWaalsContact CB-OD1 3.23Å; S589-N699 WeakPolarHBondContact CB-OD1 3.28Å; S589-N699 PolarHBondContact OG-OD1 2.83Å; K627-N699 WeakPolarHBondContact CB-OD1 3.4Å; K627-N699 PolarHBondContact O-ND2 3.26Å; T629-N699 PolarHBondContact N-ND2 2.91Å; T629-N699 WeakPolarHBondContact OG1-CB 3.08Å; T629-N699 PolarHBondContact OG1-ND2 2.93Å; D697-N699 WeakPolarHBondContact OD1-CA 3.34Å; D697-N699 WeakPolarHBondContact OD1-CB 3.29Å; D697-N699 PolarHBondContact OD1-N 2.84Å; N699-F701 HydrophobicContact CB-CD2 3.79Å; N699-F701 HydrophobicContact CB-CE2 3.6Å
700G96.5Very high96.8Very high47 Ų4725.7 Ų25.749%0.48515%0.148SC..  trans69.651.417700000111.4D697 D698D697-G700 PolarHBondContact OD1-N 3.22Å; D697-G700 WeakPolarHBondContact OD2-CA 3.37Å; D697-G700 PolarHBondContact OD2-N 2.83Å; D698-G700 VanDerWaalsContact C-N 3.3Å
701F97.5Very high96.8Very high13 Ų1325.7 Ų25.76%0.05715%0.148CC..  trans-72126.9171.5-79.9-82.1000110.5W501 I591 T629 D697 N699 I706 L709W501-F701 AromaticContact CD1-CE1 3.96Å; W501-F701 AromaticContact CD2-CE1 3.46Å; W501-F701 HydrophobicContact CD2-CE1 3.46Å; W501-F701 VanDerWaalsContact CD2-CE1 3.46Å; W501-F701 AromaticContact CD2-CZ 3.5Å; W501-F701 HydrophobicContact CD2-CZ 3.5Å; W501-F701 VanDerWaalsContact CD2-CZ 3.5Å; W501-F701 AromaticContact CE2-CD1 3.82Å; W501-F701 AromaticContact CE2-CE1 3.15Å; W501-F701 AromaticContact CE2-CZ 3.56Å; W501-F701 AromaticContact CE3-CE1 3.94Å; W501-F701 HydrophobicContact CE3-CE1 3.94Å; W501-F701 HydrophobicContact CE3-CE2 4.28Å; W501-F701 AromaticContact CE3-CZ 3.45Å; W501-F701 HydrophobicContact CE3-CZ 3.45Å; W501-F701 VanDerWaalsContact CE3-CZ 3.45Å; W501-F701 AromaticContact CG-CE1 3.96Å; W501-F701 HydrophobicContact CG-CE1 3.96Å; W501-F701 HydrophobicContact CG-CZ 4.27Å; W501-F701 HydrophobicContact CH2-CD1 4.36Å; W501-F701 HydrophobicContact CH2-CD2 4.29Å; W501-F701 AromaticContact CH2-CE1 3.9Å; W501-F701 HydrophobicContact CH2-CE1 3.9Å; W501-F701 AromaticContact CH2-CE2 3.8Å; W501-F701 HydrophobicContact CH2-CE2 3.8Å; W501-F701 AromaticContact CH2-CZ 3.58Å; W501-F701 HydrophobicContact CH2-CZ 3.58Å; W501-F701 AromaticContact CZ2-CD1 3.72Å; W501-F701 HydrophobicContact CZ2-CD1 3.72Å; W501-F701 HydrophobicContact CZ2-CD2 4.41Å; W501-F701 AromaticContact CZ2-CE1 3.39Å; W501-F701 HydrophobicContact CZ2-CE1 3.39Å; W501-F701 HydrophobicContact CZ2-CE2 4.13Å; W501-F701 HydrophobicContact CZ2-CG 4.22Å; W501-F701 AromaticContact CZ2-CZ 3.6Å; W501-F701 HydrophobicContact CZ2-CZ 3.6Å; W501-F701 HydrophobicContact CZ3-CE1 4.14Å; W501-F701 AromaticContact CZ3-CE2 3.88Å; W501-F701 HydrophobicContact CZ3-CE2 3.88Å; W501-F701 AromaticContact CZ3-CZ 3.49Å; W501-F701 HydrophobicContact CZ3-CZ 3.49Å; W501-F701 VanDerWaalsContact CZ3-CZ 3.49Å; W501-F701 AromaticContact NE1-CE1 3.49Å; I591-F701 HydrophobicContact CD1-CE2 4.03Å; I591-F701 HydrophobicContact CD1-CZ 3.62Å; I591-F701 HydrophobicContact CG1-CE2 4.21Å; I591-F701 HydrophobicContact CG1-CZ 4.31Å; T629-F701 HydrophobicContact CG2-CD2 4.02Å; T629-F701 HydrophobicContact CG2-CE2 4.25Å; T629-F701 WeakPolarHBondContact OG1-CE2 3.5Å; D697-F701 WeakPolarHBondContact OD1-CD2 3.45Å; D697-F701 WeakPolarHBondContact OD2-CB 3.36Å; D697-F701 PolarHBondContact OD2-N 2.8Å; N699-F701 HydrophobicContact CB-CD2 3.79Å; N699-F701 HydrophobicContact CB-CE2 3.6Å; F701-I706 HydrophobicContact CB-CB 4.06Å; F701-I706 HydrophobicContact CD1-CB 3.89Å; F701-I706 HydrophobicContact CD1-CD1 3.99Å; F701-I706 HydrophobicContact CD2-CD1 4.26Å; F701-I706 HydrophobicContact CE1-CD1 4.06Å; F701-I706 HydrophobicContact CE2-CD1 4.34Å; F701-I706 HydrophobicContact CG-CB 4.1Å; F701-I706 HydrophobicContact CG-CD1 4.1Å; F701-I706 HydrophobicContact CZ-CD1 4.25Å; F701-L709 HydrophobicContact CE1-CD2 3.61Å; F701-L709 HydrophobicContact CZ-CD2 3.65Å
702D95.9Very high96.8Very high79 Ų7924.6 Ų24.642%0.42214%0.143SC..  trans-77167.1155.656.858000110.9D704 S705 I706D702-D704 PolarHBondContact O-N 2.9Å; D702-D704 PolarHBondContact OD1-N 2.69Å; D702-S705 PolarHBondContact O-N 3.1Å; D702-S705 WeakPolarHBondContact OD1-CA 3.28Å; D702-S705 WeakPolarHBondContact OD1-CB 3.13Å; D702-S705 PolarHBondContact OD1-N 2.9Å; D702-S705 PolarHBondContact OD1-OG 3.1Å; D702-S705 PolarHBondContact OD2-OG 2.86Å; D702-I706 PolarHBondContact O-N 3.36Å
703A96Very high96.7Very high33 Ų3324.6 Ų24.627%0.27314%0.143SC..Hα-helixtrans-56-48.6-179.900000112.3F673 S705 I706 Q707F673-A703 HydrophobicContact CE2-CB 4.08Å; F673-A703 HydrophobicContact CZ-CB 4.22Å; A703-S705 PolarHBondContact O-N 2.93Å; A703-I706 WeakPolarHBondContact O-CG2 3.46Å; A703-I706 PolarHBondContact O-N 2.89Å; A703-Q707 WeakPolarHBondContact O-CB 3.37Å; A703-Q707 WeakPolarHBondContact O-CG 3.3Å; A703-Q707 PolarHBondContact O-N 3.46Å; A703-Q707 PolarHBondContact O-OE1 3.16Å
704D95.7Very high96.7Very high84 Ų8424.5 Ų24.545%0.44914%0.142SC..Hα-helixtrans-63.2-41.7-177.2-72-40.4000112.1R317 D702 M708R317-D704 IonicContact CZ-OD1 3.68Å; R317-D704 IonicContact NH1-OD1 3.78Å; R317-D704 PolarHBondContact NH1-OD1 2.91Å; R317-D704 IonicContact NH2-OD1 3.98Å; D702-D704 PolarHBondContact O-N 2.9Å; D702-D704 PolarHBondContact OD1-N 2.69Å; D704-M708 WeakPolarHBondContact O-CB 3.26Å; D704-M708 PolarHBondContact O-N 3.06Å
705S96.2Very high96.6Very high10 Ų1024 Ų247%0.0714%0.14CC..Hα-helixtrans-63.4-48.9179.5-680000111.9D702 A703 L709D702-S705 PolarHBondContact O-N 3.1Å; D702-S705 WeakPolarHBondContact OD1-CA 3.28Å; D702-S705 WeakPolarHBondContact OD1-CB 3.13Å; D702-S705 PolarHBondContact OD1-N 2.9Å; D702-S705 PolarHBondContact OD1-OG 3.1Å; D702-S705 PolarHBondContact OD2-OG 2.86Å; A703-S705 PolarHBondContact O-N 2.93Å; S705-L709 WeakPolarHBondContact O-CB 3.35Å; S705-L709 PolarHBondContact O-N 3.2Å
706I97.9Very high96.5Very high0 Ų022.7 Ų22.70%013%0.133CC..Hα-helixtrans-72.7-34.8-177.8-166.261.7000112V631 F673 F675 V694 F701 D702 A703 S710V631-I706 HydrophobicContact CG2-CD1 4.25Å; F673-I706 HydrophobicContact CE1-CG2 4.4Å; F673-I706 HydrophobicContact CE2-CG2 4.25Å; F673-I706 HydrophobicContact CZ-CG2 3.69Å; F675-I706 HydrophobicContact CE1-CG1 4.42Å; F675-I706 HydrophobicContact CE1-CG2 3.75Å; F675-I706 HydrophobicContact CZ-CG1 4.49Å; F675-I706 HydrophobicContact CZ-CG2 4.24Å; V694-I706 HydrophobicContact CG2-CG1 4.26Å; F701-I706 HydrophobicContact CB-CB 4.06Å; F701-I706 HydrophobicContact CD1-CB 3.89Å; F701-I706 HydrophobicContact CD1-CD1 3.99Å; F701-I706 HydrophobicContact CD2-CD1 4.26Å; F701-I706 HydrophobicContact CE1-CD1 4.06Å; F701-I706 HydrophobicContact CE2-CD1 4.34Å; F701-I706 HydrophobicContact CG-CB 4.1Å; F701-I706 HydrophobicContact CG-CD1 4.1Å; F701-I706 HydrophobicContact CZ-CD1 4.25Å; D702-I706 PolarHBondContact O-N 3.36Å; A703-I706 WeakPolarHBondContact O-CG2 3.46Å; A703-I706 PolarHBondContact O-N 2.89Å; I706-S710 VanDerWaalsContact O-CB 3.24Å; I706-S710 WeakPolarHBondContact O-CB 3.45Å; I706-S710 PolarHBondContact O-N 3.16Å; I706-S710 PolarHBondContact O-OG 3.12Å
707Q98Very high96.5Very high1 Ų120.6 Ų20.61%0.00512%0.124CC..Hα-helixtrans-66.3-48.3176.4-711625.400110.9L319 V662 D664 F675 A703 S710 Y711L319-Q707 HydrophobicContact CD1-CB 4.44Å; V662-Q707 HydrophobicContact CG1-CG 4.06Å; V662-Q707 HydrophobicContact CG2-CB 4.38Å; D664-Q707 PolarHBondContact OD2-NE2 3.15Å; F675-Q707 HydrophobicContact CD1-CG 4Å; F675-Q707 HydrophobicContact CD2-CG 3.68Å; F675-Q707 HydrophobicContact CE1-CG 4.06Å; F675-Q707 HydrophobicContact CE2-CB 4.29Å; F675-Q707 HydrophobicContact CE2-CG 3.74Å; F675-Q707 HydrophobicContact CG-CG 3.8Å; F675-Q707 HydrophobicContact CZ-CG 3.93Å; A703-Q707 WeakPolarHBondContact O-CB 3.37Å; A703-Q707 WeakPolarHBondContact O-CG 3.3Å; A703-Q707 PolarHBondContact O-N 3.46Å; A703-Q707 PolarHBondContact O-OE1 3.16Å; Q707-S710 PolarHBondContact O-N 3.11Å; Q707-Y711 WeakPolarHBondContact O-CB 3.4Å; Q707-Y711 PolarHBondContact O-N 2.81Å
708M96.6Very high96.3Very high21 Ų2118.5 Ų18.510%0.10311%0.113CC..Hα-helixtrans-67.1-41.6178.1-173.957.1172.400111.4L319 I497 D704 S710 Y711 L712L319-M708 HydrophobicContact CB-SD 4.34Å; L319-M708 HydrophobicContact CD1-SD 4.33Å; I497-M708 HydrophobicContact CD1-CB 3.7Å; I497-M708 HydrophobicContact CD1-CG 3.83Å; I497-M708 HydrophobicContact CG2-CB 4.18Å; I497-M708 HydrophobicContact CG2-CG 4.11Å; D704-M708 WeakPolarHBondContact O-CB 3.26Å; D704-M708 PolarHBondContact O-N 3.06Å; M708-S710 PolarHBondContact O-N 3.46Å; M708-Y711 CarbonylContact O-C 3.25Å; M708-Y711 WeakPolarHBondContact O-CA 3.17Å; M708-Y711 WeakPolarHBondContact O-CB 3.33Å; M708-Y711 PolarHBondContact O-N 3.11Å; M708-Y711 VanDerWaalsContact O-N 3.14Å; M708-Y711 HydrophobicContact SD-CD1 4.19Å; M708-L712 HydrophobicContact CE-CD1 4.29Å; M708-L712 HydrophobicContact CE-CD2 3.96Å; M708-L712 HydrophobicContact CE-CG 4.12Å; M708-L712 HydrophobicContact CG-CD1 3.91Å; M708-L712 HydrophobicContact CG-CG 4.28Å; M708-L712 WeakPolarHBondContact O-CB 3.35Å; M708-L712 WeakPolarHBondContact O-CG 3.48Å; M708-L712 PolarHBondContact O-N 2.96Å; M708-L712 HydrophobicContact SD-CG 4.32Å
709L97.1Very high96.2Very high0 Ų017.5 Ų17.50%010%0.104CC..Hα-helixtrans-60-46.7174.3178.657.4000112W501 I502 F508 I591 F701 S705 Y711 L712 L713W501-L709 HydrophobicContact CB-CD1 3.94Å; W501-L709 HydrophobicContact CB-CD2 3.93Å; W501-L709 HydrophobicContact CB-CG 4.49Å; W501-L709 HydrophobicContact CG-CD2 4.1Å; I502-L709 HydrophobicContact CD1-CD1 3.56Å; F508-L709 HydrophobicContact CE1-CD1 3.93Å; F508-L709 HydrophobicContact CE1-CD2 3.95Å; F508-L709 HydrophobicContact CE1-CG 4.19Å; F508-L709 HydrophobicContact CZ-CD1 3.91Å; F508-L709 HydrophobicContact CZ-CD2 4.32Å; I591-L709 HydrophobicContact CD1-CD2 3.79Å; F701-L709 HydrophobicContact CE1-CD2 3.61Å; F701-L709 HydrophobicContact CZ-CD2 3.65Å; S705-L709 WeakPolarHBondContact O-CB 3.35Å; S705-L709 PolarHBondContact O-N 3.2Å; L709-Y711 PolarHBondContact O-N 3.35Å; L709-L712 PolarHBondContact O-N 2.85Å; L709-L713 HydrophobicContact CD1-CD1 4.45Å; L709-L713 HydrophobicContact CD1-CG 4.34Å; L709-L713 HydrophobicContact CG-CD1 4.39Å; L709-L713 WeakPolarHBondContact O-CG 3.49Å; L709-L713 PolarHBondContact O-N 2.75Å
710S97.7Very high96Very high0 Ų018.1 Ų18.10%011%0.108CC..Hα-helixtrans-59.2-38.3175.2-62.80000111.2Y593 I706 Q707 M708 C714Y593-S710 PolarHBondContact OH-OG 3.08Å; I706-S710 VanDerWaalsContact O-CB 3.24Å; I706-S710 WeakPolarHBondContact O-CB 3.45Å; I706-S710 PolarHBondContact O-N 3.16Å; I706-S710 PolarHBondContact O-OG 3.12Å; Q707-S710 PolarHBondContact O-N 3.11Å; M708-S710 PolarHBondContact O-N 3.46Å; S710-C714 PolarHBondContact O-SG 2.78Å
711Y97.2Very high95.8Very high0 Ų016.2 Ų16.20%09%0.087CC..Hα-helixtrans-66.7-48.1175.3-172.7-147.9000111.8L319 P322 L677 Q707 M708 L709 L713 C714 Q715L319-Y711 HydrophobicContact CB-CD1 3.77Å; L319-Y711 HydrophobicContact CB-CE1 4.08Å; L319-Y711 HydrophobicContact CD1-CD1 3.8Å; L319-Y711 HydrophobicContact CD1-CG 4.05Å; L319-Y711 HydrophobicContact CG-CD1 4.47Å; P322-Y711 HydrophobicContact CG-CE1 4.21Å; L677-Y711 HydrophobicContact CD1-CD2 4.35Å; L677-Y711 HydrophobicContact CD1-CG 4.38Å; Q707-Y711 WeakPolarHBondContact O-CB 3.4Å; Q707-Y711 PolarHBondContact O-N 2.81Å; M708-Y711 CarbonylContact O-C 3.25Å; M708-Y711 WeakPolarHBondContact O-CA 3.17Å; M708-Y711 WeakPolarHBondContact O-CB 3.33Å; M708-Y711 PolarHBondContact O-N 3.11Å; M708-Y711 VanDerWaalsContact O-N 3.14Å; M708-Y711 HydrophobicContact SD-CD1 4.19Å; L709-Y711 PolarHBondContact O-N 3.35Å; Y711-L713 VanDerWaalsContact C-N 3.3Å; Y711-L713 PolarHBondContact O-N 2.92Å; Y711-C714 WeakPolarHBondContact O-CB 3.45Å; Y711-C714 PolarHBondContact O-N 2.85Å; Y711-Q715 PolarHBondContact O-NE2 3Å; Y711-Q715 PolarHBondContact O-OE1 2.89Å
712L95.9Very high95.7Very high3 Ų320.6 Ų20.62%0.01610%0.103CC..Hα-helixtrans-60.9-32.6179.7-71164.5000113.6P322 V491 I497 T498 M708 L709 C714 Q715P322-L712 HydrophobicContact CB-CD2 3.61Å; V491-L712 HydrophobicContact CG1-CB 4.31Å; V491-L712 HydrophobicContact CG1-CD2 3.51Å; V491-L712 HydrophobicContact CG1-CG 4.35Å; I497-L712 HydrophobicContact CG2-CD1 4.35Å; T498-L712 HydrophobicContact CG2-CD1 3.55Å; T498-L712 HydrophobicContact CG2-CD2 4.28Å; M708-L712 HydrophobicContact CE-CD1 4.29Å; M708-L712 HydrophobicContact CE-CD2 3.96Å; M708-L712 HydrophobicContact CE-CG 4.12Å; M708-L712 HydrophobicContact CG-CD1 3.91Å; M708-L712 HydrophobicContact CG-CG 4.28Å; M708-L712 WeakPolarHBondContact O-CB 3.35Å; M708-L712 WeakPolarHBondContact O-CG 3.48Å; M708-L712 PolarHBondContact O-N 2.96Å; M708-L712 HydrophobicContact SD-CG 4.32Å; L709-L712 PolarHBondContact O-N 2.85Å; L712-C714 PolarHBondContact O-N 3.22Å; L712-Q715 PolarHBondContact O-N 3.47Å; L712-Q715 PolarHBondContact O-OE1 2.74Å
713L96.4Very high95.7Very high0 Ų017 Ų170%08%0.084CC..THydrogen-bonded Turntrans-70.1-15.1173.8-71172.1000112.7F508 F546 Y593 L709 Y711 Q715 T716 P727 A728 P729F508-L713 HydrophobicContact CD1-CD1 3.73Å; F508-L713 HydrophobicContact CD1-CD2 4.11Å; F508-L713 HydrophobicContact CE1-CD1 3.84Å; F508-L713 HydrophobicContact CE1-CD2 4.24Å; F508-L713 HydrophobicContact CE1-CG 4.48Å; F508-L713 HydrophobicContact CG-CD2 4.26Å; F546-L713 HydrophobicContact CE1-CD2 3.82Å; F546-L713 HydrophobicContact CZ-CD2 3.53Å; Y593-L713 HydrophobicContact CD2-CD1 4.29Å; Y593-L713 HydrophobicContact CE2-CD1 3.39Å; Y593-L713 WeakPolarHBondContact OH-CD1 3.41Å; L709-L713 HydrophobicContact CD1-CD1 4.45Å; L709-L713 HydrophobicContact CD1-CG 4.34Å; L709-L713 HydrophobicContact CG-CD1 4.39Å; L709-L713 WeakPolarHBondContact O-CG 3.49Å; L709-L713 PolarHBondContact O-N 2.75Å; Y711-L713 VanDerWaalsContact C-N 3.3Å; Y711-L713 PolarHBondContact O-N 2.92Å; L713-Q715 VanDerWaalsContact C-N 3.3Å; L713-T716 PolarHBondContact O-OG1 2.84Å; L713-T716 VanDerWaalsContact O-OG1 3.11Å; L713-P727 HydrophobicContact CB-CB 3.78Å; L713-P727 HydrophobicContact CD1-CB 4.33Å; L713-A728 WeakPolarHBondContact O-CB 3.34Å; L713-A728 PolarHBondContact O-N 3.48Å; L713-P729 HydrophobicContact CD1-CG 4.46Å; L713-P729 HydrophobicContact CD2-CG 4.48Å
714C96.8Very high95.7Very high0 Ų016.1 Ų16.10%08%0.076CC..THydrogen-bonded Turntrans-79.7-11.2177.7-64.80000113.1S679 S710 Y711 L712 S723 V724 L726S679-C714 WeakPolarHBondContact CB-SG 3.41Å; S679-C714 PolarHBondContact OG-SG 2.77Å; S710-C714 PolarHBondContact O-SG 2.78Å; Y711-C714 WeakPolarHBondContact O-CB 3.45Å; Y711-C714 PolarHBondContact O-N 2.85Å; L712-C714 PolarHBondContact O-N 3.22Å; C714-S723 VanDerWaalsContact CB-OG 3.32Å; C714-S723 WeakPolarHBondContact CB-OG 3.47Å; C714-S723 WeakPolarHBondContact O-CA 3.17Å; C714-V724 HydrophobicContact CB-CG2 4.41Å; C714-V724 VanDerWaalsContact CB-O 3.3Å; C714-V724 WeakPolarHBondContact CB-O 3.25Å; C714-V724 WeakPolarHBondContact O-CG2 3.38Å; C714-V724 PolarHBondContact O-N 2.75Å; C714-L726 VanDerWaalsContact SG-C 3.59Å
715Q94.6Very high95.7Very high1 Ų112.4 Ų12.41%0.0056%0.056CC..THydrogen-bonded Turntrans-96.9-17179.8-61.670.519.900111.6P322 V324 V338 W343 N489 Y711 L712 L713 Y717 S723P322-Q715 HydrophobicContact CB-CG 4.46Å; P322-Q715 HydrophobicContact CG-CG 3.73Å; V324-Q715 HydrophobicContact CG1-CB 3.99Å; V338-Q715 HydrophobicContact CG1-CG 4.42Å; V338-Q715 HydrophobicContact CG2-CG 4.2Å; W343-Q715 HydrophobicContact CH2-CB 4.28Å; W343-Q715 WeakPolarHBondContact CH2-O 3.45Å; W343-Q715 HydrophobicContact CZ3-CB 4.42Å; W343-Q715 HydrophobicContact CZ3-CG 4.46Å; N489-Q715 PolarHBondContact OD1-O 3.13Å; Y711-Q715 PolarHBondContact O-NE2 3Å; Y711-Q715 PolarHBondContact O-OE1 2.89Å; L712-Q715 PolarHBondContact O-N 3.47Å; L712-Q715 PolarHBondContact O-OE1 2.74Å; L713-Q715 VanDerWaalsContact C-N 3.3Å; Q715-Y717 PolarHBondContact O-N 2.76Å; Q715-S723 PolarHBondContact NE2-OG 2.86Å
716T92.7Very high95.7Very high0 Ų012.5 Ų12.50%06%0.056CC..  trans-83.86.1-178.2590000114.3V491 F546 S547 L713 Q718 A728V491-T716 HydrophobicContact CG2-CG2 3.24Å; F546-T716 HydrophobicContact CD1-CG2 4.27Å; F546-T716 HydrophobicContact CE1-CG2 3.97Å; S547-T716 WeakPolarHBondContact OG-CB 3.14Å; S547-T716 WeakPolarHBondContact OG-CG2 3.38Å; L713-T716 PolarHBondContact O-OG1 2.84Å; L713-T716 VanDerWaalsContact O-OG1 3.11Å; T716-Q718 PolarHBondContact O-N 3.26Å; T716-Q718 VanDerWaalsContact O-N 3.08Å; T716-Q718 PolarHBondContact O-NE2 3.03Å; T716-A728 WeakPolarHBondContact OG1-CB 3.34Å
717Y94.9Very high95.7Very high18 Ų1812.5 Ų12.57%0.0716%0.056CC..  trans-70.3107.6177.5-179.9-116000111.3Q715 R719 V724 Y731 H732 H735Q715-Y717 PolarHBondContact O-N 2.76Å; Y717-R719 HydrophobicContact CD1-CB 4.1Å; Y717-R719 HydrophobicContact CE1-CB 3.58Å; Y717-R719 HydrophobicContact CE1-CG 4.3Å; Y717-R719 HydrophobicContact CE2-CB 4.43Å; Y717-R719 HydrophobicContact CE2-CG 4.29Å; Y717-R719 VanDerWaalsContact CZ-CD 3.45Å; Y717-R719 PolarHBondContact O-N 2.8Å; Y717-R719 WeakPolarHBondContact OH-CD 3.37Å; Y717-R719 PolarHBondContact OH-NE 3.15Å; Y717-R719 VanDerWaalsContact OH-NE 3.16Å; Y717-V724 HydrophobicContact CD1-CG1 3.44Å; Y717-V724 VanDerWaalsContact CD1-CG1 3.44Å; Y717-V724 HydrophobicContact CD1-CG2 4.43Å; Y717-V724 HydrophobicContact CE1-CG1 3.98Å; Y717-V724 HydrophobicContact CG-CG1 4.02Å; Y717-V724 HydrophobicContact CG-CG2 4.16Å; Y717-Y731 HydrophobicContact CD2-CG 4.38Å; Y717-Y731 HydrophobicContact CE2-CD1 4.25Å; Y717-Y731 HydrophobicContact CE2-CG 4.12Å; Y717-H732 AromaticContact CD2-CE1 3.53Å; Y717-H732 AromaticContact CD2-NE2 3.94Å; Y717-H732 AromaticContact CE2-CE1 3.8Å; Y717-H735 AromaticContact CE2-NE2 3.81Å; Y717-H735 AromaticContact CZ-NE2 3.8Å; Y717-H735 PolarHBondContact OH-NE2 3.41Å
718Q94.3Very high95.6Very high1 Ų112.4 Ų12.41%0.0056%0.055CC..THydrogen-bonded Turntrans-67.84.6-167.1-62-62.1-55.100116A482 N488 N489 T716 M783A482-Q718 HydrophobicContact CB-CB 4.3Å; N488-Q718 PolarHBondContact ND2-O 3.06Å; N489-Q718 PolarHBondContact O-NE2 2.93Å; T716-Q718 PolarHBondContact O-N 3.26Å; T716-Q718 VanDerWaalsContact O-N 3.08Å; T716-Q718 PolarHBondContact O-NE2 3.03Å; Q718-M783 HydrophobicContact CB-CE 4.39Å; Q718-M783 HydrophobicContact CB-SD 4.32Å; Q718-M783 HydrophobicContact CG-CE 3.96Å; Q718-M783 HydrophobicContact CG-SD 3.87Å
719R93.9Very high95.6Very high51 Ų5111.4 Ų11.419%0.1925%0.05CC..THydrogen-bonded Turntrans-106-9.6-174-64170.3521550.4114.3Q475 K479 Y717 H735 W785 A786Q475-R719 PolarHBondContact OE1-O 2.93Å; K479-R719 HydrophobicContact CG-CG 4.38Å; Y717-R719 HydrophobicContact CD1-CB 4.1Å; Y717-R719 HydrophobicContact CE1-CB 3.58Å; Y717-R719 HydrophobicContact CE1-CG 4.3Å; Y717-R719 HydrophobicContact CE2-CB 4.43Å; Y717-R719 HydrophobicContact CE2-CG 4.29Å; Y717-R719 VanDerWaalsContact CZ-CD 3.45Å; Y717-R719 PolarHBondContact O-N 2.8Å; Y717-R719 WeakPolarHBondContact OH-CD 3.37Å; Y717-R719 PolarHBondContact OH-NE 3.15Å; Y717-R719 VanDerWaalsContact OH-NE 3.16Å; R719-H735 PolarHBondContact NH1-CE1 3.02Å; R719-H735 PolarHBondContact NH1-ND1 3.1Å; R719-H735 PolarHBondContact NH1-NE2 3.33Å; R719-W785 PolarHBondContact NH1-O 2.94Å; R719-A786 WeakPolarHBondContact CD-OXT 3.31Å; R719-A786 HydrophobicContact CG-CB 4.14Å; R719-A786 WeakPolarHBondContact CG-OXT 3.11Å; R719-A786 PolarHBondContact NE-OXT 3.48Å; R719-A786 PolarHBondContact NH1-OXT 2.98Å
720C93.1Very high95.6Very high18 Ų1811.4 Ų11.412%0.1225%0.05CC..  trans-157159.1177.159.10000112.2R722C720-R722 PolarHBondContact O-N 3.22Å
721N93.5Very high95.6Very high7 Ų713.9 Ų13.94%0.0376%0.06CC..SBendtrans-90.853.9173.8-63.98.3000111.1Y326 W343 M345Y326-N721 PolarHBondContact OH-ND2 2.97Å; W343-N721 HydrophobicContact CD2-CB 3.92Å; W343-N721 VanDerWaalsContact CE2-CA 3.48Å; W343-N721 VanDerWaalsContact CE3-C 3.45Å; W343-N721 HydrophobicContact CG-CB 4.2Å; W343-N721 VanDerWaalsContact CZ2-CA 3.41Å; W343-N721 HydrophobicContact CZ2-CB 4.02Å; W343-N721 VanDerWaalsContact CZ3-C 3.43Å; W343-N721 PolarHBondContact N-O 3.39Å; W343-N721 WeakPolarHBondContact O-CB 2.99Å; M345-N721 WeakPolarHBondContact CB-ND2 3.41Å; M345-N721 WeakPolarHBondContact CG-ND2 3.29Å; M345-N721 PolarHBondContact SD-ND2 2.8Å
722R94.6Very high95.6Very high105 Ų10513.9 Ų13.940%0.3966%0.06SC..BIsolated β-bridgetrans-143.4141.9-179.9-60.6-173.5179.8-139.1-1.1109.6G341 V342 W343 C720 V724G341-R722 CarbonylContact O-C 3.57Å; G341-R722 WeakPolarHBondContact O-CA 3.42Å; V342-R722 HydrophobicContact CG1-CG 4.29Å; V342-R722 HydrophobicContact CG2-CG 4.2Å; W343-R722 VanDerWaalsContact CZ3-CA 3.47Å; W343-R722 VanDerWaalsContact CZ3-N 3.25Å; C720-R722 PolarHBondContact O-N 3.22Å; R722-V724 PolarHBondContact O-N 2.96Å
723S96.1Very high95.6Very high4 Ų413.8 Ų13.83%0.0286%0.059CC..  trans-66.7121.3168-168.60000108.6G341 S679 H680 C714 Q715G341-S723 PolarHBondContact O-N 3.41Å; S679-S723 WeakPolarHBondContact O-CB 3.49Å; S679-S723 PolarHBondContact O-OG 2.79Å; H680-S723 WeakPolarHBondContact CB-O 3.32Å; C714-S723 VanDerWaalsContact CB-OG 3.32Å; C714-S723 WeakPolarHBondContact CB-OG 3.47Å; C714-S723 WeakPolarHBondContact O-CA 3.17Å; Q715-S723 PolarHBondContact NE2-OG 2.86Å
724V96.2Very high95.6Very high15 Ų1516.8 Ų16.89%0.0917%0.073CC..  trans-88.2161.6-177.6-73.10000111.1S679 C714 Y717 R722 L726 Y731S679-V724 WeakPolarHBondContact CB-O 3.24Å; S679-V724 PolarHBondContact OG-O 3.06Å; C714-V724 HydrophobicContact CB-CG2 4.41Å; C714-V724 VanDerWaalsContact CB-O 3.3Å; C714-V724 WeakPolarHBondContact CB-O 3.25Å; C714-V724 WeakPolarHBondContact O-CG2 3.38Å; C714-V724 PolarHBondContact O-N 2.75Å; Y717-V724 HydrophobicContact CD1-CG1 3.44Å; Y717-V724 VanDerWaalsContact CD1-CG1 3.44Å; Y717-V724 HydrophobicContact CD1-CG2 4.43Å; Y717-V724 HydrophobicContact CE1-CG1 3.98Å; Y717-V724 HydrophobicContact CG-CG1 4.02Å; Y717-V724 HydrophobicContact CG-CG2 4.16Å; R722-V724 PolarHBondContact O-N 2.96Å; V724-L726 WeakPolarHBondContact CG2-O 3.42Å; V724-L726 PolarHBondContact O-N 2.9Å; V724-Y731 HydrophobicContact CB-CD2 3.91Å; V724-Y731 HydrophobicContact CB-CE2 3.7Å; V724-Y731 HydrophobicContact CG1-CE2 4.29Å; V724-Y731 HydrophobicContact CG2-CD2 3.79Å; V724-Y731 HydrophobicContact CG2-CE2 4.12Å
725S95.8Very high95.6Very high5 Ų518.4 Ų18.44%0.0358%0.081CC..SBendtrans-70.9-15.3-175.463.90000114.9K635 S679 H680 C690K635-S725 WeakPolarHBondContact CE-OG 3.47Å; K635-S725 PolarHBondContact NZ-OG 3.14Å; S679-S725 VanDerWaalsContact OG-CA 3.32Å; S679-S725 WeakPolarHBondContact OG-CA 3.13Å; S679-S725 PolarHBondContact OG-O 3.14Å; H680-S725 WeakPolarHBondContact ND1-CA 3.27Å; H680-S725 VanDerWaalsContact ND1-CB 3.28Å; H680-S725 WeakPolarHBondContact ND1-CB 3.45Å; C690-S725 PolarHBondContact SG-O 3.21Å
726L96.3Very high95.7Very high12 Ų1218.3 Ų18.36%0.0638%0.081CC..SBendtrans-130.8148.6-175.3-71.9161.4000107.6V633 K635 C690 C714 V724 V730 Y731V633-L726 HydrophobicContact CG1-CD2 3.48Å; V633-L726 VanDerWaalsContact CG1-CD2 3.48Å; K635-L726 HydrophobicContact CB-CD2 4.19Å; K635-L726 HydrophobicContact CD-CD1 3.82Å; K635-L726 HydrophobicContact CD-CD2 4.43Å; K635-L726 HydrophobicContact CD-CG 4.02Å; C690-L726 HydrophobicContact CB-CD2 4.47Å; C690-L726 VanDerWaalsContact SG-CD2 3.55Å; C714-L726 VanDerWaalsContact SG-C 3.59Å; V724-L726 WeakPolarHBondContact CG2-O 3.42Å; V724-L726 PolarHBondContact O-N 2.9Å; L726-V730 HydrophobicContact CB-CB 4.27Å; L726-V730 HydrophobicContact CB-CG1 4.18Å; L726-V730 HydrophobicContact CD1-CG1 4.08Å; L726-V730 HydrophobicContact CD2-CG1 3.99Å; L726-V730 HydrophobicContact CG-CG1 4.31Å; L726-Y731 HydrophobicContact CB-CD2 3.6Å; L726-Y731 HydrophobicContact CB-CE2 3.82Å; L726-Y731 HydrophobicContact CB-CG 4.44Å; L726-Y731 HydrophobicContact CD1-CD2 4.39Å; L726-Y731 HydrophobicContact CD1-CE2 4.17Å; L726-Y731 HydrophobicContact CG-CE2 4.35Å
727P97.2Very high95.9Very high0 Ų018.3 Ų18.30%08%0.081CC..  trans-55.5146.6173.7-23.535.8000110.5Y593 Y692 L713 P729 V730 Y731Y593-P727 HydrophobicContact CD1-CB 4.47Å; Y593-P727 HydrophobicContact CD1-CG 4.02Å; Y593-P727 HydrophobicContact CE1-CG 4Å; Y692-P727 HydrophobicContact CE1-CG 3.68Å; Y692-P727 VanDerWaalsContact OH-CD 3.3Å; Y692-P727 WeakPolarHBondContact OH-CD 3.45Å; L713-P727 HydrophobicContact CB-CB 3.78Å; L713-P727 HydrophobicContact CD1-CB 4.33Å; P727-P729 VanDerWaalsContact C-CD 3.41Å; P727-P729 VanDerWaalsContact C-N 3.29Å; P727-V730 HydrophobicContact CG-CG2 4.47Å; P727-V730 PolarHBondContact O-N 2.84Å; P727-Y731 PolarHBondContact O-N 3.37Å
728A96.6Very high95.9Very high0 Ų019.4 Ų19.40%09%0.089CC..Hα-helixtrans-51.8-40.6178.900000113.4Y549 L713 T716 V730 Y731 H732Y549-A728 HydrophobicContact CE2-CB 4.33Å; L713-A728 WeakPolarHBondContact O-CB 3.34Å; L713-A728 PolarHBondContact O-N 3.48Å; T716-A728 WeakPolarHBondContact OG1-CB 3.34Å; A728-V730 VanDerWaalsContact C-N 3.33Å; A728-V730 PolarHBondContact O-N 2.74Å; A728-Y731 PolarHBondContact O-N 3.39Å; A728-H732 WeakPolarHBondContact O-CB 3.3Å; A728-H732 PolarHBondContact O-CD2 2.82Å; A728-H732 VanDerWaalsContact O-CG 3.28Å; A728-H732 PolarHBondContact O-N 2.75Å
729P97.1Very high96Very high0 Ų020.1 Ų20.10%09%0.092CC..Hα-helixtrans-56-44174.4-25.633.3000113.2F508 V539 Y549 Y593 L713 P727 H732 A733F508-P729 HydrophobicContact CB-CG 3.91Å; V539-P729 HydrophobicContact CG1-CB 4.11Å; V539-P729 WeakPolarHBondContact CG1-O 3.34Å; Y549-P729 HydrophobicContact CE1-CB 4.46Å; Y549-P729 HydrophobicContact CE1-CG 3.95Å; Y593-P729 HydrophobicContact CD2-CG 4.46Å; L713-P729 HydrophobicContact CD1-CG 4.46Å; L713-P729 HydrophobicContact CD2-CG 4.48Å; P727-P729 VanDerWaalsContact C-CD 3.41Å; P727-P729 VanDerWaalsContact C-N 3.29Å; P729-H732 PolarHBondContact O-N 2.89Å; P729-A733 VanDerWaalsContact O-CB 3.3Å; P729-A733 WeakPolarHBondContact O-CB 3.4Å; P729-A733 PolarHBondContact O-N 2.69Å
730V97.5Very high96.1Very high0 Ų017.7 Ų17.70%08%0.083CC..Hα-helixtrans-66.4-46.9177.9176.10000111Y593 D595 V633 L726 P727 A728 H732 A733 H734Y593-V730 HydrophobicContact CG-CG2 4.35Å; D595-V730 HydrophobicContact CB-CG1 3.68Å; V633-V730 HydrophobicContact CB-CG2 4.3Å; V633-V730 HydrophobicContact CG2-CG2 3.98Å; L726-V730 HydrophobicContact CB-CB 4.27Å; L726-V730 HydrophobicContact CB-CG1 4.18Å; L726-V730 HydrophobicContact CD1-CG1 4.08Å; L726-V730 HydrophobicContact CD2-CG1 3.99Å; L726-V730 HydrophobicContact CG-CG1 4.31Å; P727-V730 HydrophobicContact CG-CG2 4.47Å; P727-V730 PolarHBondContact O-N 2.84Å; A728-V730 VanDerWaalsContact C-N 3.33Å; A728-V730 PolarHBondContact O-N 2.74Å; V730-H732 VanDerWaalsContact C-N 3.31Å; V730-H732 PolarHBondContact O-N 3.14Å; V730-A733 PolarHBondContact O-N 3.47Å; V730-H734 PolarHBondContact O-N 3.38Å
731Y96.2Very high96.1Very high52 Ų5218.9 Ų18.920%0.2049%0.086CC..Hα-helixtrans-61.4-40.4179.8-115.3-59.2000112.4Y717 V724 L726 P727 A728 H735Y717-Y731 HydrophobicContact CD2-CG 4.38Å; Y717-Y731 HydrophobicContact CE2-CD1 4.25Å; Y717-Y731 HydrophobicContact CE2-CG 4.12Å; V724-Y731 HydrophobicContact CB-CD2 3.91Å; V724-Y731 HydrophobicContact CB-CE2 3.7Å; V724-Y731 HydrophobicContact CG1-CE2 4.29Å; V724-Y731 HydrophobicContact CG2-CD2 3.79Å; V724-Y731 HydrophobicContact CG2-CE2 4.12Å; L726-Y731 HydrophobicContact CB-CD2 3.6Å; L726-Y731 HydrophobicContact CB-CE2 3.82Å; L726-Y731 HydrophobicContact CB-CG 4.44Å; L726-Y731 HydrophobicContact CD1-CD2 4.39Å; L726-Y731 HydrophobicContact CD1-CE2 4.17Å; L726-Y731 HydrophobicContact CG-CE2 4.35Å; P727-Y731 PolarHBondContact O-N 3.37Å; A728-Y731 PolarHBondContact O-N 3.39Å; Y731-H735 AromaticContact CD1-NE2 3.95Å; Y731-H735 PolarHBondContact O-CD2 3.32Å; Y731-H735 PolarHBondContact O-N 3.12Å
732H97.3Very high96.1Very high0 Ų019.7 Ų19.70%09%0.09CC..Hα-helixtrans-73.1-37.5178.8-67.9-44.5000112.3V539 Y549 Y717 A728 P729 V730 H734 H735 A736 W785V539-H732 HydrophobicContact CB-CB 4.06Å; V539-H732 HydrophobicContact CG1-CB 4.02Å; V539-H732 HydrophobicContact CG2-CB 3.67Å; Y549-H732 AromaticContact CD2-CD2 3.88Å; Y549-H732 AromaticContact CG-CD2 4Å; Y717-H732 AromaticContact CD2-CE1 3.53Å; Y717-H732 AromaticContact CD2-NE2 3.94Å; Y717-H732 AromaticContact CE2-CE1 3.8Å; A728-H732 WeakPolarHBondContact O-CB 3.3Å; A728-H732 PolarHBondContact O-CD2 2.82Å; A728-H732 VanDerWaalsContact O-CG 3.28Å; A728-H732 PolarHBondContact O-N 2.75Å; P729-H732 PolarHBondContact O-N 2.89Å; V730-H732 VanDerWaalsContact C-N 3.31Å; V730-H732 PolarHBondContact O-N 3.14Å; H732-H734 VanDerWaalsContact C-N 3.29Å; H732-H734 PolarHBondContact O-N 2.7Å; H732-H735 CarbonylContact O-C 3.42Å; H732-H735 PolarHBondContact O-N 3.31Å; H732-H735 VanDerWaalsContact O-N 3.14Å; H732-A736 PolarHBondContact O-N 2.99Å; H732-W785 AromaticContact CE1-NE1 3.98Å; H732-W785 AromaticContact CG-NE1 3.52Å; H732-W785 AromaticContact ND1-CD1 3.8Å; H732-W785 AromaticContact ND1-NE1 3.12Å; H732-W785 PolarHBondContact ND1-NE1 2.8Å; H732-W785 VanDerWaalsContact ND1-NE1 3.12Å
733A97.3Very high96.2Very high0 Ų014.7 Ų14.70%07%0.071CC..Hα-helixtrans-58.8-41.9171.900000111.7G510 D512 V539 P729 V730 H735 A736 A737G510-A733 WeakPolarHBondContact O-CB 3.48Å; D512-A733 HydrophobicContact CB-CB 4.08Å; V539-A733 HydrophobicContact CG1-CB 4.29Å; P729-A733 VanDerWaalsContact O-CB 3.3Å; P729-A733 WeakPolarHBondContact O-CB 3.4Å; P729-A733 PolarHBondContact O-N 2.69Å; V730-A733 PolarHBondContact O-N 3.47Å; A733-H735 VanDerWaalsContact C-N 3.34Å; A733-H735 PolarHBondContact O-N 2.99Å; A733-A736 WeakPolarHBondContact O-CB 3.5Å; A733-A736 PolarHBondContact O-N 3.47Å; A733-A736 VanDerWaalsContact O-N 3.11Å; A733-A737 PolarHBondContact O-N 3.28Å
734H96.1Very high96Very high63 Ų6315.2 Ų15.229%0.2927%0.073SC..Hα-helixtrans-61-41.2173.9-175.868.1000113.4D512 V730 H732 A736 T738D512-H734 VanDerWaalsContact OD2-CA 3.27Å; D512-H734 WeakPolarHBondContact OD2-CA 3.44Å; D512-H734 IonicContact OD2-CE1 3.89Å; D512-H734 IonicContact OD2-CG 3.36Å; D512-H734 IonicContact OD2-ND1 3.39Å; D512-H734 PolarHBondContact OD2-ND1 2.93Å; V730-H734 PolarHBondContact O-N 3.38Å; H732-H734 VanDerWaalsContact C-N 3.29Å; H732-H734 PolarHBondContact O-N 2.7Å; H734-A736 VanDerWaalsContact C-N 3.34Å; H734-T738 WeakPolarHBondContact O-CB 3.4Å; H734-T738 PolarHBondContact O-N 2.79Å; H734-T738 PolarHBondContact O-OG1 3.32Å
735H96Very high95.7Very high34 Ų3415.5 Ų15.516%0.1577%0.073CC..Hα-helixtrans-67.1-35.5174-70.3-53.2000112Y717 R719 Y731 H732 A733 R739 W785Y717-H735 AromaticContact CE2-NE2 3.81Å; Y717-H735 AromaticContact CZ-NE2 3.8Å; Y717-H735 PolarHBondContact OH-NE2 3.41Å; R719-H735 PolarHBondContact NH1-CE1 3.02Å; R719-H735 PolarHBondContact NH1-ND1 3.1Å; R719-H735 PolarHBondContact NH1-NE2 3.33Å; Y731-H735 AromaticContact CD1-NE2 3.95Å; Y731-H735 PolarHBondContact O-CD2 3.32Å; Y731-H735 PolarHBondContact O-N 3.12Å; H732-H735 CarbonylContact O-C 3.42Å; H732-H735 PolarHBondContact O-N 3.31Å; H732-H735 VanDerWaalsContact O-N 3.14Å; A733-H735 VanDerWaalsContact C-N 3.34Å; A733-H735 PolarHBondContact O-N 2.99Å; H735-R739 VanDerWaalsContact O-CB 3.24Å; H735-R739 WeakPolarHBondContact O-CB 3.44Å; H735-R739 PolarHBondContact O-N 3.35Å; H735-W785 HydrophobicContact CB-CB 4.2Å; H735-W785 HydrophobicContact CB-CG 4.24Å
736A97.1Very high95.5Very high0 Ų015.3 Ų15.30%07%0.072CC..Hα-helixtrans-63-48.7175.100000111.4I551 H732 A733 H734 T738 R739 G740I551-A736 HydrophobicContact CB-CB 3.69Å; I551-A736 HydrophobicContact CD1-CB 3.99Å; I551-A736 HydrophobicContact CG1-CB 4.41Å; I551-A736 HydrophobicContact CG2-CB 3.66Å; H732-A736 PolarHBondContact O-N 2.99Å; A733-A736 WeakPolarHBondContact O-CB 3.5Å; A733-A736 PolarHBondContact O-N 3.47Å; A733-A736 VanDerWaalsContact O-N 3.11Å; H734-A736 VanDerWaalsContact C-N 3.34Å; A736-T738 VanDerWaalsContact C-N 3.34Å; A736-T738 PolarHBondContact O-N 3.24Å; A736-R739 PolarHBondContact O-N 3.32Å; A736-G740 PolarHBondContact O-N 3.45Å
737A96.7Very high95.2Very high0 Ų015.8 Ų15.80%07%0.074CC..Hα-helixtrans-61.7-43.9178.400000111.2N514 V535 A733 G740 K741N514-A737 HydrophobicContact CB-CB 3.69Å; V535-A737 WeakPolarHBondContact CG1-O 3.5Å; A733-A737 PolarHBondContact O-N 3.28Å; A737-G740 PolarHBondContact O-N 3.33Å; A737-K741 PolarHBondContact O-N 3.38Å
738T95.6Very high94.6Very high41 Ų4118 Ų1825%0.2528%0.082SC..Hα-helixtrans-64.1-40.5175.8-57.60000111.9N514 H734 A736 K741 D742N514-T738 PolarHBondContact ND2-OG1 2.98Å; H734-T738 WeakPolarHBondContact O-CB 3.4Å; H734-T738 PolarHBondContact O-N 2.79Å; H734-T738 PolarHBondContact O-OG1 3.32Å; A736-T738 VanDerWaalsContact C-N 3.34Å; A736-T738 PolarHBondContact O-N 3.24Å; T738-K741 WeakPolarHBondContact O-CB 3.42Å; T738-K741 PolarHBondContact O-N 3.12Å; T738-D742 PolarHBondContact O-N 2.88Å
739R95.8Very high93.9Very high16 Ų1620.4 Ų20.46%0.0610%0.095CC..Hα-helixtrans-65.8-45.9177.317958.76076.90.4111.7E445 H735 A736 K741 D742 L743 M775 V784E445-R739 IonicContact OE1-CZ 2.73Å; E445-R739 IonicContact OE1-NH1 2.66Å; E445-R739 PolarHBondContact OE1-NH1 3.03Å; E445-R739 IonicContact OE1-NH2 3.1Å; E445-R739 WeakPolarHBondContact OE2-CD 3.48Å; E445-R739 IonicContact OE2-CZ 3.11Å; E445-R739 IonicContact OE2-NE 3.55Å; E445-R739 IonicContact OE2-NH1 2.99Å; E445-R739 PolarHBondContact OE2-NH1 2.85Å; H735-R739 VanDerWaalsContact O-CB 3.24Å; H735-R739 WeakPolarHBondContact O-CB 3.44Å; H735-R739 PolarHBondContact O-N 3.35Å; A736-R739 PolarHBondContact O-N 3.32Å; R739-K741 PolarHBondContact O-N 3.41Å; R739-D742 PolarHBondContact O-N 3.25Å; R739-D742 VanDerWaalsContact O-N 3.15Å; R739-L743 HydrophobicContact CG-CD1 4.04Å; R739-L743 HydrophobicContact CG-CG 4.4Å; R739-L743 VanDerWaalsContact O-CG 3.31Å; R739-L743 WeakPolarHBondContact O-CG 3.43Å; R739-L743 PolarHBondContact O-N 3Å; R739-M775 HydrophobicContact CG-CE 3.54Å; R739-V784 PolarHBondContact NH1-O 3.19Å; R739-V784 PolarHBondContact NH2-O 2.93Å; R739-V784 VanDerWaalsContact NH2-O 3.1Å
740G96Very high93Very high0 Ų021.4 Ų21.40%010%0.101CC..Hα-helixtrans-58.1-40.3175.900000111.7A736 A737 L743 Y744A736-G740 PolarHBondContact O-N 3.45Å; A737-G740 PolarHBondContact O-N 3.33Å; G740-L743 PolarHBondContact O-N 3.38Å; G740-Y744 WeakPolarHBondContact O-CB 3.38Å; G740-Y744 PolarHBondContact O-N 2.97Å
741K94.1Very high91.9Very high42 Ų4223.8 Ų23.818%0.18311%0.113CC..Hα-helixtrans-62.3-48.7172.5-175.5176.4-174.7167.30112.6N514 H515 V535 A737 T738 R739 L743 Y744 M745N514-K741 WeakPolarHBondContact OD1-CD 3.35Å; N514-K741 PolarHBondContact OD1-NZ 3.3Å; H515-K741 PolarHBondContact O-NZ 2.87Å; V535-K741 HydrophobicContact CG2-CB 3.94Å; A737-K741 PolarHBondContact O-N 3.38Å; T738-K741 WeakPolarHBondContact O-CB 3.42Å; T738-K741 PolarHBondContact O-N 3.12Å; R739-K741 PolarHBondContact O-N 3.41Å; K741-L743 VanDerWaalsContact C-N 3.28Å; K741-L743 PolarHBondContact O-N 2.93Å; K741-Y744 PolarHBondContact O-N 2.92Å; K741-M745 HydrophobicContact CG-CE 3.95Å; K741-M745 WeakPolarHBondContact O-CG 3.18Å; K741-M745 PolarHBondContact O-N 3.48Å
742D93.4Very high90.6Very high24 Ų2425.5 Ų25.513%0.12812%0.122CC..Hα-helixtrans-57.1-42.1178.4-76.7-12.6000111.4K437 T738 R739 M745 A746K437-D742 IonicContact NZ-OD2 3.83Å; K437-D742 PolarHBondContact NZ-OD2 3.28Å; T738-D742 PolarHBondContact O-N 2.88Å; R739-D742 PolarHBondContact O-N 3.25Å; R739-D742 VanDerWaalsContact O-N 3.15Å; D742-M745 PolarHBondContact O-N 2.93Å; D742-A746 PolarHBondContact O-N 3.29Å; D742-A746 VanDerWaalsContact O-N 3.11Å
743L94.9Very high89.1Confident0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-70.1-41.2178.9-65.9174.5000112.3K441 F442 V446 Y553 R739 G740 K741 M745 A746 F747 I773 M775K441-L743 HydrophobicContact CB-CD2 4.17Å; F442-L743 HydrophobicContact CB-CD2 4.06Å; F442-L743 HydrophobicContact CD2-CD2 4.31Å; V446-L743 HydrophobicContact CG2-CD1 3.93Å; V446-L743 HydrophobicContact CG2-CD2 3.91Å; V446-L743 HydrophobicContact CG2-CG 4.42Å; Y553-L743 HydrophobicContact CE1-CD1 4.26Å; Y553-L743 HydrophobicContact CE2-CD1 4.48Å; Y553-L743 WeakPolarHBondContact OH-CD1 3.27Å; R739-L743 HydrophobicContact CG-CD1 4.04Å; R739-L743 HydrophobicContact CG-CG 4.4Å; R739-L743 VanDerWaalsContact O-CG 3.31Å; R739-L743 WeakPolarHBondContact O-CG 3.43Å; R739-L743 PolarHBondContact O-N 3Å; G740-L743 PolarHBondContact O-N 3.38Å; K741-L743 VanDerWaalsContact C-N 3.28Å; K741-L743 PolarHBondContact O-N 2.93Å; L743-M745 VanDerWaalsContact C-N 3.33Å; L743-M745 PolarHBondContact O-N 3.2Å; L743-A746 PolarHBondContact O-N 3.05Å; L743-F747 WeakPolarHBondContact O-CB 3.42Å; L743-F747 PolarHBondContact O-N 2.94Å; L743-I773 HydrophobicContact CB-CB 4.43Å; L743-M775 HydrophobicContact CD1-CE 4.24Å
744Y93.1Very high87.5Confident15 Ų1536.5 Ų36.56%0.05918%0.18CC..Hα-helixtrans-57.3-45.9171.7171-93.6000111.4Q531 E532 P533 L555 G740 K741 A746 F747 R748 I769Q531-Y744 PolarHBondContact O-OH 3.03Å; E532-Y744 HydrophobicContact CG-CE1 4.44Å; P533-Y744 VanDerWaalsContact CD-CZ 3.4Å; P533-Y744 HydrophobicContact CG-CD1 4.47Å; P533-Y744 HydrophobicContact CG-CD2 4.17Å; P533-Y744 HydrophobicContact CG-CE1 4.29Å; P533-Y744 HydrophobicContact CG-CE2 3.95Å; P533-Y744 HydrophobicContact CG-CG 4.42Å; L555-Y744 HydrophobicContact CD1-CD2 3.83Å; L555-Y744 HydrophobicContact CD1-CE2 4.36Å; L555-Y744 HydrophobicContact CD2-CD2 4.49Å; G740-Y744 WeakPolarHBondContact O-CB 3.38Å; G740-Y744 PolarHBondContact O-N 2.97Å; K741-Y744 PolarHBondContact O-N 2.92Å; Y744-A746 PolarHBondContact O-N 3.49Å; Y744-F747 PolarHBondContact O-N 3.17Å; Y744-R748 VanDerWaalsContact O-CB 3.24Å; Y744-R748 WeakPolarHBondContact O-CB 3.47Å; Y744-R748 PolarHBondContact O-N 3Å; Y744-I769 HydrophobicContact CD2-CG2 3.91Å; Y744-I769 HydrophobicContact CE2-CD1 4.31Å; Y744-I769 HydrophobicContact CE2-CG2 4.17Å
745M89.4Confident85.5Confident21 Ų2134.8 Ų34.810%0.10318%0.177CC..Hα-helixtrans-61-45.5177.9-64.5-54.3160.600111.9E532 K741 D742 L743 F747 R748 D749E532-M745 HydrophobicContact CB-CE 4.21Å; E532-M745 HydrophobicContact CG-CE 3.65Å; E532-M745 HydrophobicContact CG-SD 4.42Å; E532-M745 VanDerWaalsContact OE1-CE 3.3Å; E532-M745 WeakPolarHBondContact OE1-CE 3.37Å; E532-M745 WeakPolarHBondContact OE2-CE 3.44Å; K741-M745 HydrophobicContact CG-CE 3.95Å; K741-M745 WeakPolarHBondContact O-CG 3.18Å; K741-M745 PolarHBondContact O-N 3.48Å; D742-M745 PolarHBondContact O-N 2.93Å; L743-M745 VanDerWaalsContact C-N 3.33Å; L743-M745 PolarHBondContact O-N 3.2Å; M745-F747 PolarHBondContact O-N 2.84Å; M745-R748 PolarHBondContact O-N 3.21Å; M745-R748 VanDerWaalsContact SD-CZ 3.51Å; M745-R748 PolarHBondContact SD-NH1 3.08Å; M745-D749 WeakPolarHBondContact O-CB 2.98Å; M745-D749 PolarHBondContact O-N 2.8Å
746A91.1Very high83.2Confident2 Ų242.1 Ų42.12%0.01721%0.208CC..Hα-helixtrans-61.7-43.8178.300000112.4N438 F442 D742 L743 Y744 T750N438-A746 HydrophobicContact CB-CB 4.09Å; F442-A746 HydrophobicContact CB-CB 3.6Å; F442-A746 HydrophobicContact CD2-CB 4.46Å; F442-A746 HydrophobicContact CG-CB 3.98Å; D742-A746 PolarHBondContact O-N 3.29Å; D742-A746 VanDerWaalsContact O-N 3.11Å; L743-A746 PolarHBondContact O-N 3.05Å; Y744-A746 PolarHBondContact O-N 3.49Å; A746-T750 WeakPolarHBondContact O-CB 3.19Å; A746-T750 PolarHBondContact O-N 2.82Å; A746-T750 PolarHBondContact O-OG1 2.87Å
747F90.4Very high80.4Confident21 Ų2151.8 Ų51.89%0.09225%0.251CS..Hα-helixtrans-62-48.6176.6176.3-105000111.5F442 L743 Y744 M745 D749 T750 L751 I769 K772 I773F442-F747 HydrophobicContact CE2-CB 3.95Å; F442-F747 HydrophobicContact CE2-CD2 4.2Å; F442-F747 HydrophobicContact CZ-CB 4.2Å; F442-F747 AromaticContact CZ-CD2 3.84Å; F442-F747 HydrophobicContact CZ-CD2 3.84Å; L743-F747 WeakPolarHBondContact O-CB 3.42Å; L743-F747 PolarHBondContact O-N 2.94Å; Y744-F747 PolarHBondContact O-N 3.17Å; M745-F747 PolarHBondContact O-N 2.84Å; F747-D749 PolarHBondContact O-N 3.03Å; F747-T750 WeakPolarHBondContact O-CB 3.16Å; F747-T750 PolarHBondContact O-N 2.85Å; F747-L751 HydrophobicContact CD1-CD1 4Å; F747-L751 HydrophobicContact CE1-CD1 3.31Å; F747-L751 HydrophobicContact CE1-CG 4.22Å; F747-L751 HydrophobicContact CE2-CD1 4.19Å; F747-L751 HydrophobicContact CE2-CG 4.35Å; F747-L751 HydrophobicContact CZ-CD1 3.44Å; F747-L751 VanDerWaalsContact CZ-CD1 3.44Å; F747-L751 HydrophobicContact CZ-CG 4.07Å; F747-L751 PolarHBondContact O-N 2.79Å; F747-I769 HydrophobicContact CD1-CG2 3.87Å; F747-I769 HydrophobicContact CE1-CB 4.47Å; F747-I769 HydrophobicContact CE1-CG1 4.29Å; F747-I769 HydrophobicContact CE1-CG2 3.89Å; F747-K772 HydrophobicContact CD2-CB 4.25Å; F747-K772 HydrophobicContact CE2-CB 3.63Å; F747-K772 HydrophobicContact CE2-CG 4.13Å; F747-K772 HydrophobicContact CZ-CB 3.79Å; F747-K772 HydrophobicContact CZ-CG 4.05Å; F747-I773 HydrophobicContact CB-CG2 3.61Å; F747-I773 HydrophobicContact CD1-CG2 4.24Å; F747-I773 HydrophobicContact CD2-CG2 4.33Å; F747-I773 HydrophobicContact CG-CG2 3.81Å
748R84.8Confident77.6Confident47 Ų4755 Ų5518%0.17728%0.284CS..Hα-helixtrans-56.9-49.2178-174.3-165.272.5-172.6-5.9111.3E532 Y744 M745 T750 L751 F752 V761E532-R748 IonicContact OE1-CZ 2.9Å; E532-R748 IonicContact OE1-NH1 3.75Å; E532-R748 PolarHBondContact OE1-NH1 2.85Å; Y744-R748 VanDerWaalsContact O-CB 3.24Å; Y744-R748 WeakPolarHBondContact O-CB 3.47Å; Y744-R748 PolarHBondContact O-N 3Å; M745-R748 PolarHBondContact O-N 3.21Å; M745-R748 VanDerWaalsContact SD-CZ 3.51Å; M745-R748 PolarHBondContact SD-NH1 3.08Å; R748-T750 VanDerWaalsContact C-N 3.29Å; R748-T750 PolarHBondContact O-N 2.92Å; R748-L751 PolarHBondContact O-N 3.15Å; R748-F752 HydrophobicContact CG-CD2 3.72Å; R748-F752 HydrophobicContact CG-CE2 3.42Å; R748-F752 VanDerWaalsContact CG-CE2 3.42Å; R748-F752 WeakPolarHBondContact O-CD2 3.27Å; R748-F752 PolarHBondContact O-N 2.88Å; R748-V761 HydrophobicContact CG-CB 4.35Å; R748-V761 HydrophobicContact CG-CG1 4.26Å; R748-V761 HydrophobicContact CG-CG2 4Å
749D81.6Confident75.1Confident50 Ų5056.2 Ų56.227%0.26730%0.298SS..Hα-helixtrans-65.2-34.4-178.9-66.7-6.4000111.7M745 F747 F752 S753M745-D749 WeakPolarHBondContact O-CB 2.98Å; M745-D749 PolarHBondContact O-N 2.8Å; F747-D749 PolarHBondContact O-N 3.03Å; D749-F752 PolarHBondContact O-N 3.32Å; D749-S753 PolarHBondContact O-N 3.26Å
750T79.1Confident73.1Confident21 Ų2163 Ų6313%0.12932%0.323CS..Hα-helixtrans-65.8-46.1174.9-54.10000111.2V405 A746 F747 R748 F752 S753 K754V405-T750 HydrophobicContact CB-CG2 4.18Å; V405-T750 HydrophobicContact CG1-CG2 4.18Å; V405-T750 HydrophobicContact CG2-CG2 4.44Å; V405-T750 VanDerWaalsContact CG2-OG1 3.31Å; V405-T750 WeakPolarHBondContact CG2-OG1 3.06Å; A746-T750 WeakPolarHBondContact O-CB 3.19Å; A746-T750 PolarHBondContact O-N 2.82Å; A746-T750 PolarHBondContact O-OG1 2.87Å; F747-T750 WeakPolarHBondContact O-CB 3.16Å; F747-T750 PolarHBondContact O-N 2.85Å; R748-T750 VanDerWaalsContact C-N 3.29Å; R748-T750 PolarHBondContact O-N 2.92Å; T750-F752 PolarHBondContact O-N 3.06Å; T750-S753 PolarHBondContact O-N 2.89Å; T750-S753 PolarHBondContact O-OG 3.41Å; T750-K754 PolarHBondContact O-N 2.96Å; T750-K754 VanDerWaalsContact O-N 3.14Å
751L74.4Confident71.1Confident50 Ų5063.3 Ų63.326%0.26233%0.325SS..Hα-helixtrans-60.7-45.3175.2-78.1178.2000111.3F747 R748 S753 K754 A755 V761 L764F747-L751 HydrophobicContact CD1-CD1 4Å; F747-L751 HydrophobicContact CE1-CD1 3.31Å; F747-L751 HydrophobicContact CE1-CG 4.22Å; F747-L751 HydrophobicContact CE2-CD1 4.19Å; F747-L751 HydrophobicContact CE2-CG 4.35Å; F747-L751 HydrophobicContact CZ-CD1 3.44Å; F747-L751 VanDerWaalsContact CZ-CD1 3.44Å; F747-L751 HydrophobicContact CZ-CG 4.07Å; F747-L751 PolarHBondContact O-N 2.79Å; R748-L751 PolarHBondContact O-N 3.15Å; L751-S753 VanDerWaalsContact C-N 3.3Å; L751-S753 PolarHBondContact O-N 3.43Å; L751-K754 CarbonylContact O-C 3.6Å; L751-K754 PolarHBondContact O-N 3.18Å; L751-K754 VanDerWaalsContact O-N 3.11Å; L751-A755 WeakPolarHBondContact O-CB 3.49Å; L751-A755 PolarHBondContact O-N 3.22Å; L751-V761 HydrophobicContact CB-CG2 3.61Å; L751-V761 HydrophobicContact CD1-CB 4.37Å; L751-V761 HydrophobicContact CD1-CG1 4.15Å; L751-V761 HydrophobicContact CD1-CG2 3.68Å; L751-V761 HydrophobicContact CG-CG2 4.32Å; L751-L764 HydrophobicContact CD1-CD1 3.99Å
752F67.9Low69.4Low89 Ų8965.9 Ų65.939%0.3934%0.338SS..Hα-helixtrans-61.6-36.1176.9-79.3-58.3000113.1R748 D749 T750 K754 A755 V761R748-F752 HydrophobicContact CG-CD2 3.72Å; R748-F752 HydrophobicContact CG-CE2 3.42Å; R748-F752 VanDerWaalsContact CG-CE2 3.42Å; R748-F752 WeakPolarHBondContact O-CD2 3.27Å; R748-F752 PolarHBondContact O-N 2.88Å; D749-F752 PolarHBondContact O-N 3.32Å; T750-F752 PolarHBondContact O-N 3.06Å; F752-K754 VanDerWaalsContact C-N 3.32Å; F752-K754 PolarHBondContact O-N 3.4Å; F752-A755 PolarHBondContact O-N 3.08Å; F752-V761 HydrophobicContact CD2-CG2 4.27Å; F752-V761 HydrophobicContact CE2-CG2 4.03Å; F752-V761 HydrophobicContact CZ-CG2 4.15Å
753S66.4Low68Low80 Ų8072.1 Ų72.156%0.55937%0.366SS*.Hα-helixtrans-65.3-35.3174.6690000112.9D749 T750 L751D749-S753 PolarHBondContact O-N 3.26Å; T750-S753 PolarHBondContact O-N 2.89Å; T750-S753 PolarHBondContact O-OG 3.41Å; L751-S753 VanDerWaalsContact C-N 3.3Å; L751-S753 PolarHBondContact O-N 3.43Å
754K62.7Low66.9Low151 Ų15175.8 Ų75.866%0.65739%0.385SS*.Hα-helixtrans-80.2-32.2177.1-69.7-173176-171.20112.3T750 L751 F752 K756T750-K754 PolarHBondContact O-N 2.96Å; T750-K754 VanDerWaalsContact O-N 3.14Å; L751-K754 CarbonylContact O-C 3.6Å; L751-K754 PolarHBondContact O-N 3.18Å; L751-K754 VanDerWaalsContact O-N 3.11Å; F752-K754 VanDerWaalsContact C-N 3.32Å; F752-K754 PolarHBondContact O-N 3.4Å; K754-K756 PolarHBondContact O-N 3.42Å; K754-K756 VanDerWaalsContact O-N 3.08Å
755A53.8Low66.5Low26 Ų2679.3 Ų79.322%0.21541%0.41CS..  trans-81.927.2-174.800000114.6L751 F752 F757 G758 A759L751-A755 WeakPolarHBondContact O-CB 3.49Å; L751-A755 PolarHBondContact O-N 3.22Å; F752-A755 PolarHBondContact O-N 3.08Å; A755-F757 PolarHBondContact O-N 3.45Å; A755-G758 PolarHBondContact O-N 2.98Å; A755-G758 VanDerWaalsContact O-N 3.14Å; A755-A759 WeakPolarHBondContact CB-O 3.32Å
756K48.5Very low66.3Low189 Ų18981.2 Ų81.282%0.82242%0.42SS*.THydrogen-bonded Turntrans-55.3-3.2160.4-84.8-173.9174.2-179.20113.2K754K754-K756 PolarHBondContact O-N 3.42Å; K754-K756 VanDerWaalsContact O-N 3.08Å
757F38.1Very low66.1Low203 Ų20385.4 Ų85.489%0.8944%0.442SS*.THydrogen-bonded Turntrans-12745.9171-72.8-85.4000115.1A755A755-F757 PolarHBondContact O-N 3.45Å
758G37.7Very low66Low68 Ų6886.2 Ų86.270%0.70145%0.452SS*.SBendtrans101.9-0.5148.600000120.1A755A755-G758 PolarHBondContact O-N 2.98Å; A755-G758 VanDerWaalsContact O-N 3.14Å
759A43.2Very low66.3Low65 Ų6584.3 Ų84.354%0.53745%0.446SS..  trans-95.7116.8173.900000112.1A755A755-A759 WeakPolarHBondContact CB-O 3.32Å
760R54.3Low66.8Low159 Ų15983.1 Ų83.160%0.644%0.438SS*.  trans-88.8132.4173.3-68.1-172.8-178.1-178.43.9110E762 Q763R760-E762 HydrophobicContact CB-CB 4.26Å; R760-E762 IonicContact NH1-OE2 3.56Å; R760-E762 PolarHBondContact O-N 3.15Å; R760-Q763 PolarHBondContact O-N 3.11Å
761V55Low67.3Low6 Ų690.6 Ų90.64%0.03647%0.469CS..G310 helixtrans-51-30.7173.9-1750000111.9R748 L751 F752 Q763 L764 I769R748-V761 HydrophobicContact CG-CB 4.35Å; R748-V761 HydrophobicContact CG-CG1 4.26Å; R748-V761 HydrophobicContact CG-CG2 4Å; L751-V761 HydrophobicContact CB-CG2 3.61Å; L751-V761 HydrophobicContact CD1-CB 4.37Å; L751-V761 HydrophobicContact CD1-CG1 4.15Å; L751-V761 HydrophobicContact CD1-CG2 3.68Å; L751-V761 HydrophobicContact CG-CG2 4.32Å; F752-V761 HydrophobicContact CD2-CG2 4.27Å; F752-V761 HydrophobicContact CE2-CG2 4.03Å; F752-V761 HydrophobicContact CZ-CG2 4.15Å; V761-Q763 PolarHBondContact O-N 3.27Å; V761-L764 PolarHBondContact O-N 2.73Å; V761-L764 VanDerWaalsContact O-N 3.09Å; V761-I769 HydrophobicContact CG1-CD1 4.13Å
762E56.8Low68.2Low97 Ų9794.7 Ų94.745%0.45349%0.485SS..G310 helixtrans-56.4-16.7176.9-61.8165.2-17300114.2Q531 R760Q531-E762 PolarHBondContact NE2-OE1 3.19Å; Q531-E762 PolarHBondContact OE1-OE1 2.94Å; R760-E762 HydrophobicContact CB-CB 4.26Å; R760-E762 IonicContact NH1-OE2 3.56Å; R760-E762 PolarHBondContact O-N 3.15Å
763Q63.7Low69.5Low155 Ų15590.5 Ų90.572%0.72447%0.466SS*.G310 helixtrans-92.8-13.1178.7-67.1-178.5-1300114.1R760 V761R760-Q763 PolarHBondContact O-N 3.11Å; V761-Q763 PolarHBondContact O-N 3.27Å
764L73.2Confident70.8Confident77 Ų7790.3 Ų90.340%0.40346%0.459SS..SBendtrans-80.7130.1178.2-72.1172.3000109.9L751 V761 I769L751-L764 HydrophobicContact CD1-CD1 3.99Å; V761-L764 PolarHBondContact O-N 2.73Å; V761-L764 VanDerWaalsContact O-N 3.09Å; L764-I769 HydrophobicContact CB-CD1 4.14Å; L764-I769 HydrophobicContact CB-CG1 3.84Å
765P84.1Confident72.3Confident89 Ų8983.6 Ų83.658%0.57843%0.43SS*.  trans-55.2143171.5-22.832.1000110.9D767 A768 I769P765-D767 PolarHBondContact O-N 3.34Å; P765-A768 HydrophobicContact CB-CB 4.43Å; P765-A768 WeakPolarHBondContact O-CA 3.46Å; P765-A768 WeakPolarHBondContact O-CB 3.28Å; P765-A768 PolarHBondContact O-N 3.16Å; P765-I769 PolarHBondContact O-N 2.91Å
766M86.1Confident74.3Confident61 Ų6185.5 Ų85.530%0.343%0.434SS..Hα-helixtrans-55.3-40.4-176-123.2175.9-83.600112.2P533 L555 D557 A768 I769 E770P533-M766 HydrophobicContact CB-SD 3.95Å; L555-M766 HydrophobicContact CB-CG 3.76Å; L555-M766 HydrophobicContact CB-SD 3.85Å; L555-M766 HydrophobicContact CD1-CG 4.29Å; D557-M766 WeakPolarHBondContact OD1-CE 3.32Å; M766-A768 VanDerWaalsContact C-N 3.3Å; M766-A768 PolarHBondContact O-N 3.31Å; M766-I769 WeakPolarHBondContact O-CB 3.45Å; M766-I769 PolarHBondContact O-N 3.12Å; M766-I769 VanDerWaalsContact O-N 3.1Å; M766-E770 WeakPolarHBondContact O-CG 3.45Å; M766-E770 PolarHBondContact O-N 3.08Å
767D86.5Confident76.4Confident90 Ų9081.4 Ų81.448%0.48142%0.422SS..Hα-helixtrans-63.5-33177.1-60.8-10.9000113.2K567 P765 K771K567-D767 IonicContact NZ-OD1 3.6Å; K567-D767 PolarHBondContact NZ-OD1 3.04Å; P765-D767 PolarHBondContact O-N 3.34Å; D767-K771 WeakPolarHBondContact O-CG 3.31Å; D767-K771 PolarHBondContact O-N 3.19Å; D767-K771 VanDerWaalsContact O-N 3.13Å
768A88.5Confident78.9Confident38 Ų3876.7 Ų76.731%0.31441%0.406SS..Hα-helixtrans-69.8-37.6175.500000110.7P765 M766 K772P765-A768 HydrophobicContact CB-CB 4.43Å; P765-A768 WeakPolarHBondContact O-CA 3.46Å; P765-A768 WeakPolarHBondContact O-CB 3.28Å; P765-A768 PolarHBondContact O-N 3.16Å; M766-A768 VanDerWaalsContact C-N 3.3Å; M766-A768 PolarHBondContact O-N 3.31Å; A768-K772 WeakPolarHBondContact O-CG 2.95Å; A768-K772 PolarHBondContact O-N 2.87Å
769I90.8Very high81.6Confident7 Ų773.5 Ų73.54%0.03637%0.373CS..Hα-helixtrans-66-47.1174.3-58.6176.2000109.9L555 Y744 F747 V761 L764 P765 M766 K771 K772 I773L555-I769 HydrophobicContact CD1-CB 4.12Å; L555-I769 HydrophobicContact CD1-CG2 3.75Å; Y744-I769 HydrophobicContact CD2-CG2 3.91Å; Y744-I769 HydrophobicContact CE2-CD1 4.31Å; Y744-I769 HydrophobicContact CE2-CG2 4.17Å; F747-I769 HydrophobicContact CD1-CG2 3.87Å; F747-I769 HydrophobicContact CE1-CB 4.47Å; F747-I769 HydrophobicContact CE1-CG1 4.29Å; F747-I769 HydrophobicContact CE1-CG2 3.89Å; V761-I769 HydrophobicContact CG1-CD1 4.13Å; L764-I769 HydrophobicContact CB-CD1 4.14Å; L764-I769 HydrophobicContact CB-CG1 3.84Å; P765-I769 PolarHBondContact O-N 2.91Å; M766-I769 WeakPolarHBondContact O-CB 3.45Å; M766-I769 PolarHBondContact O-N 3.12Å; M766-I769 VanDerWaalsContact O-N 3.1Å; I769-K771 VanDerWaalsContact C-N 3.32Å; I769-K771 PolarHBondContact O-N 2.96Å; I769-K772 WeakPolarHBondContact O-CA 3.27Å; I769-K772 WeakPolarHBondContact O-CB 3.24Å; I769-K772 PolarHBondContact O-N 3.34Å; I769-I773 HydrophobicContact CG2-CG2 4.42Å; I769-I773 WeakPolarHBondContact O-CG1 3.47Å; I769-I773 PolarHBondContact O-N 3.47Å
770E91.6Very high83.9Confident25 Ų2571.3 Ų71.312%0.11735%0.353CS..Hα-helixtrans-52.2-48.1177.3-75.9178.3171.500112.2R554 L555 K567 M766 K772 I773 N774R554-E770 WeakPolarHBondContact CD-OE2 3.34Å; L555-E770 WeakPolarHBondContact CA-OE1 3Å; L555-E770 HydrophobicContact CB-CG 4.03Å; L555-E770 HydrophobicContact CD1-CG 4.04Å; L555-E770 HydrophobicContact CG-CG 3.77Å; L555-E770 PolarHBondContact N-OE1 2.85Å; L555-E770 VanDerWaalsContact O-OE1 3.05Å; K567-E770 WeakPolarHBondContact CE-OE1 3.17Å; K567-E770 IonicContact NZ-OE1 3.51Å; K567-E770 PolarHBondContact NZ-OE1 3.28Å; K567-E770 IonicContact NZ-OE2 2.92Å; K567-E770 PolarHBondContact NZ-OE2 3.42Å; M766-E770 WeakPolarHBondContact O-CG 3.45Å; M766-E770 PolarHBondContact O-N 3.08Å; E770-K772 PolarHBondContact O-N 3.27Å; E770-I773 CarbonylContact O-C 3.54Å; E770-I773 WeakPolarHBondContact O-CG1 3.38Å; E770-I773 PolarHBondContact O-N 3.48Å; E770-I773 VanDerWaalsContact O-N 3.11Å; E770-N774 PolarHBondContact O-N 3.26Å
771K91Very high85.6Confident177 Ų17770.3 Ų70.377%0.7735%0.349SS*.Hα-helixtrans-58.7-34176.4-73176.9-176.81800112.9D767 I769D767-K771 WeakPolarHBondContact O-CG 3.31Å; D767-K771 PolarHBondContact O-N 3.19Å; D767-K771 VanDerWaalsContact O-N 3.13Å; I769-K771 VanDerWaalsContact C-N 3.32Å; I769-K771 PolarHBondContact O-N 2.96Å
772K92.1Very high87.3Confident137 Ų13772.2 Ų72.260%0.59636%0.358SS*.Hα-helixtrans-80.1-18.1179.6-66.3-69.3-176.9-175.40113.8V446 F747 A768 I769 E770V446-K772 VanDerWaalsContact CG1-O 3.26Å; V446-K772 WeakPolarHBondContact CG1-O 3.28Å; F747-K772 HydrophobicContact CD2-CB 4.25Å; F747-K772 HydrophobicContact CE2-CB 3.63Å; F747-K772 HydrophobicContact CE2-CG 4.13Å; F747-K772 HydrophobicContact CZ-CB 3.79Å; F747-K772 HydrophobicContact CZ-CG 4.05Å; A768-K772 WeakPolarHBondContact O-CG 2.95Å; A768-K772 PolarHBondContact O-N 2.87Å; I769-K772 WeakPolarHBondContact O-CA 3.27Å; I769-K772 WeakPolarHBondContact O-CB 3.24Å; I769-K772 PolarHBondContact O-N 3.34Å; E770-K772 PolarHBondContact O-N 3.27Å
773I94.5Very high89.1Confident0 Ų067.7 Ų67.70%034%0.337CS..Hα-helixtrans-110.44.3178.668168.4000112.7F442 V446 Y553 L555 L743 F747 I769 E770F442-I773 HydrophobicContact CE2-CG2 4.19Å; V446-I773 WeakPolarHBondContact CG2-O 3.3Å; Y553-I773 HydrophobicContact CE2-CD1 4.06Å; Y553-I773 HydrophobicContact CE2-CG1 4.14Å; Y553-I773 PolarHBondContact OH-O 3.46Å; L555-I773 HydrophobicContact CD1-CD1 4.13Å; L555-I773 HydrophobicContact CD2-CD1 4.25Å; L555-I773 HydrophobicContact CG-CD1 4.35Å; L743-I773 HydrophobicContact CB-CB 4.43Å; F747-I773 HydrophobicContact CB-CG2 3.61Å; F747-I773 HydrophobicContact CD1-CG2 4.24Å; F747-I773 HydrophobicContact CD2-CG2 4.33Å; F747-I773 HydrophobicContact CG-CG2 3.81Å; I769-I773 HydrophobicContact CG2-CG2 4.42Å; I769-I773 WeakPolarHBondContact O-CG1 3.47Å; I769-I773 PolarHBondContact O-N 3.47Å; E770-I773 CarbonylContact O-C 3.54Å; E770-I773 WeakPolarHBondContact O-CG1 3.38Å; E770-I773 PolarHBondContact O-N 3.48Å; E770-I773 VanDerWaalsContact O-N 3.11Å
774N93.8Very high90.5Very high76 Ų7660.3 Ų60.341%0.40630%0.302SS..SBendtrans-66.2141.9179.5-159.924.4000110.4V446 E770V446-N774 WeakPolarHBondContact CG1-O 3.05Å; E770-N774 PolarHBondContact O-N 3.26Å
775M94.9Very high91.5Very high11 Ų1156.9 Ų56.95%0.05428%0.284CS..PPolyproline II helixtrans-64.9141.7-179.7-73.3-176.8172.700110.7E445 I551 Y553 R739 L743 V779 V784E445-M775 WeakPolarHBondContact O-CA 3.34Å; I551-M775 HydrophobicContact CD1-CE 3.88Å; I551-M775 HydrophobicContact CD1-SD 4.29Å; I551-M775 HydrophobicContact CG1-SD 4.48Å; Y553-M775 HydrophobicContact CE1-CE 3.97Å; Y553-M775 HydrophobicContact CE1-CG 4.18Å; Y553-M775 HydrophobicContact CE1-SD 4.37Å; Y553-M775 WeakPolarHBondContact OH-CG 3.34Å; Y553-M775 PolarHBondContact OH-N 2.93Å; R739-M775 HydrophobicContact CG-CE 3.54Å; L743-M775 HydrophobicContact CD1-CE 4.24Å; M775-V779 HydrophobicContact CB-CG2 4.37Å; M775-V784 HydrophobicContact CE-CG2 3.83Å; M775-V784 HydrophobicContact SD-CG2 3.69Å
776H96.1Very high91.6Very high65 Ų6552.9 Ų52.930%0.30126%0.259SS..PPolyproline II helixtrans-63.4141.5173.5-172.3-67.1000110.3E445 G449 N778 V779 S780E445-H776 WeakPolarHBondContact O-CB 3.37Å; E445-H776 PolarHBondContact O-N 2.88Å; G449-H776 VanDerWaalsContact CA-CG 3.49Å; H776-N778 VanDerWaalsContact C-N 3.3Å; H776-N778 PolarHBondContact CE1-ND2 2.98Å; H776-N778 PolarHBondContact ND1-N 2.9Å; H776-N778 PolarHBondContact O-N 3.03Å; H776-N778 VanDerWaalsContact O-N 3.17Å; H776-V779 HydrophobicContact CB-CG2 4.24Å; H776-V779 WeakPolarHBondContact O-CG2 3.44Å; H776-V779 PolarHBondContact O-N 2.93Å; H776-S780 PolarHBondContact O-N 3.4Å
777D92.8Very high91.9Very high104 Ų10452.5 Ų52.556%0.55626%0.257SS*.Hα-helixtrans-53.5-43.6-172.6-71.1-14.9000113.3V779 S780D777-V779 PolarHBondContact O-N 2.84Å; D777-V779 VanDerWaalsContact O-N 3.14Å; D777-S780 WeakPolarHBondContact CA-OG 3.17Å; D777-S780 PolarHBondContact O-N 3.46Å; D777-S780 PolarHBondContact O-OG 2.93Å
778N90.4Very high92.2Very high104 Ų10450.5 Ų50.556%0.55625%0.245SC*.Hα-helixtrans-50.8-34.9176.2-67.4-6.6000114.9H776H776-N778 VanDerWaalsContact C-N 3.3Å; H776-N778 PolarHBondContact CE1-ND2 2.98Å; H776-N778 PolarHBondContact ND1-N 2.9Å; H776-N778 PolarHBondContact O-N 3.03Å; H776-N778 VanDerWaalsContact O-N 3.17Å
779V93.5Very high92.4Very high1 Ų151.2 Ų51.21%0.00624%0.241CC..Hα-helixtrans-104.8-22.8-178.1-65.30000113.1E445 G449 M775 H776 D777 R781 Q782 V784E445-V779 HydrophobicContact CB-CG2 4.18Å; E445-V779 VanDerWaalsContact O-CG2 3.27Å; E445-V779 WeakPolarHBondContact O-CG2 3.47Å; G449-V779 WeakPolarHBondContact O-CG1 3.2Å; M775-V779 HydrophobicContact CB-CG2 4.37Å; H776-V779 HydrophobicContact CB-CG2 4.24Å; H776-V779 WeakPolarHBondContact O-CG2 3.44Å; H776-V779 PolarHBondContact O-N 2.93Å; D777-V779 PolarHBondContact O-N 2.84Å; D777-V779 VanDerWaalsContact O-N 3.14Å; V779-R781 PolarHBondContact O-N 3.36Å; V779-R781 VanDerWaalsContact O-N 3.14Å; V779-Q782 PolarHBondContact O-N 3.35Å; V779-V784 HydrophobicContact CB-CG1 3.81Å; V779-V784 HydrophobicContact CG1-CG1 4.29Å
780S92.1Very high92.5Very high19 Ų1953.8 Ų53.813%0.13325%0.253CS..Hα-helixtrans-58.7-27.1179.171.80000112.9H776 D777 Q782H776-S780 PolarHBondContact O-N 3.4Å; D777-S780 WeakPolarHBondContact CA-OG 3.17Å; D777-S780 PolarHBondContact O-N 3.46Å; D777-S780 PolarHBondContact O-OG 2.93Å; S780-Q782 VanDerWaalsContact C-N 3.28Å; S780-Q782 PolarHBondContact O-N 3.2Å
781R89.3Confident92.5Very high137 Ų13755.6 Ų55.652%0.51726%0.262SS..THydrogen-bonded Turntrans-86.710.7178.6-58.5-179.2-173.7169.63.7113.6R550 V779R550-R781 PolarHBondContact NE-O 3.47Å; R550-R781 VanDerWaalsContact NE-O 3.11Å; R550-R781 PolarHBondContact NH2-O 3.24Å; R550-R781 VanDerWaalsContact NH2-O 3.17Å; V779-R781 PolarHBondContact O-N 3.36Å; V779-R781 VanDerWaalsContact O-N 3.14Å
782Q91.9Very high92.6Very high47 Ų4747.5 Ų47.522%0.2223%0.228CC..THydrogen-bonded Turntrans-129.8162.8-177.9-59.2176.5-8.400110.7T451 K483 V779 S780 V784 W785T451-Q782 PolarHBondContact OG1-OE1 3.28Å; K483-Q782 WeakPolarHBondContact O-CB 3.24Å; K483-Q782 PolarHBondContact O-OE1 3.35Å; V779-Q782 PolarHBondContact O-N 3.35Å; S780-Q782 VanDerWaalsContact C-N 3.28Å; S780-Q782 PolarHBondContact O-N 3.2Å; Q782-V784 HydrophobicContact CB-CG1 4.14Å; Q782-V784 PolarHBondContact O-N 3.02Å; Q782-W785 WeakPolarHBondContact O-CZ3 3.48Å
783M94.7Very high92.7Very high1 Ų141.1 Ų41.11%0.00520%0.202CC..THydrogen-bonded Turntrans-80.853.9177.7-63.9-175.6-8000113.1A482 G486 Y549 Q718 W785 A786A482-M783 HydrophobicContact CB-CB 4.36Å; A482-M783 HydrophobicContact CB-CE 3.75Å; G486-M783 WeakPolarHBondContact O-CE 3.32Å; Y549-M783 WeakPolarHBondContact O-CG 3.43Å; Q718-M783 HydrophobicContact CB-CE 4.39Å; Q718-M783 HydrophobicContact CB-SD 4.32Å; Q718-M783 HydrophobicContact CG-CE 3.96Å; Q718-M783 HydrophobicContact CG-SD 3.87Å; M783-W785 VanDerWaalsContact CA-CZ3 3.5Å; M783-W785 HydrophobicContact CB-CH2 4Å; M783-W785 HydrophobicContact CB-CZ2 3.97Å; M783-W785 HydrophobicContact CB-CZ3 4.37Å; M783-W785 HydrophobicContact CG-CH2 3.73Å; M783-W785 HydrophobicContact CG-CZ2 3.69Å; M783-W785 PolarHBondContact O-N 3.4Å; M783-A786 HydrophobicContact CB-CB 4.39Å; M783-A786 WeakPolarHBondContact O-CB 3.22Å; M783-A786 PolarHBondContact O-N 2.96Å
784V93.4Very high92.5Very high0 Ų044.3 Ų44.30%022%0.217CC..THydrogen-bonded Turntrans-64.4-13.6-175.3-66.50000114.9T451 K483 R739 M775 V779 Q782 A786T451-V784 HydrophobicContact CG2-CG1 4.42Å; K483-V784 VanDerWaalsContact CE-O 3.31Å; K483-V784 WeakPolarHBondContact CE-O 3.17Å; R739-V784 PolarHBondContact NH1-O 3.19Å; R739-V784 PolarHBondContact NH2-O 2.93Å; R739-V784 VanDerWaalsContact NH2-O 3.1Å; M775-V784 HydrophobicContact CE-CG2 3.83Å; M775-V784 HydrophobicContact SD-CG2 3.69Å; V779-V784 HydrophobicContact CB-CG1 3.81Å; V779-V784 HydrophobicContact CG1-CG1 4.29Å; Q782-V784 HydrophobicContact CB-CG1 4.14Å; Q782-V784 PolarHBondContact O-N 3.02Å; V784-A786 VanDerWaalsContact C-N 3.32Å
785W92.7Very high92.4Very high5 Ų541.7 Ų41.72%0.01920%0.201CC..THydrogen-bonded Turntrans-80.6-8.4171.966.293.9000114.4V539 Y549 I551 R719 H732 H735 Q782 M783V539-W785 HydrophobicContact CG2-CZ2 4.34Å; Y549-W785 VanDerWaalsContact O-CH2 3.23Å; Y549-W785 WeakPolarHBondContact O-CH2 3.45Å; I551-W785 HydrophobicContact CB-CD2 4.28Å; I551-W785 HydrophobicContact CB-CE3 3.96Å; I551-W785 HydrophobicContact CB-CH2 4.33Å; I551-W785 HydrophobicContact CB-CZ3 3.96Å; I551-W785 HydrophobicContact CD1-CB 4.03Å; I551-W785 HydrophobicContact CD1-CD2 3.88Å; I551-W785 HydrophobicContact CD1-CE3 3.43Å; I551-W785 VanDerWaalsContact CD1-CE3 3.43Å; I551-W785 HydrophobicContact CD1-CG 4.14Å; I551-W785 HydrophobicContact CD1-CZ3 4.15Å; I551-W785 HydrophobicContact CG1-CD2 4.06Å; I551-W785 HydrophobicContact CG1-CE3 3.37Å; I551-W785 HydrophobicContact CG1-CH2 4.39Å; I551-W785 HydrophobicContact CG1-CZ3 3.55Å; I551-W785 HydrophobicContact CG2-CD2 3.38Å; I551-W785 HydrophobicContact CG2-CE3 3.52Å; I551-W785 HydrophobicContact CG2-CG 4.04Å; I551-W785 HydrophobicContact CG2-CH2 3.66Å; I551-W785 HydrophobicContact CG2-CZ2 3.55Å; I551-W785 HydrophobicContact CG2-CZ3 3.64Å; R719-W785 PolarHBondContact NH1-O 2.94Å; H732-W785 AromaticContact CE1-NE1 3.98Å; H732-W785 AromaticContact CG-NE1 3.52Å; H732-W785 AromaticContact ND1-CD1 3.8Å; H732-W785 AromaticContact ND1-NE1 3.12Å; H732-W785 PolarHBondContact ND1-NE1 2.8Å; H732-W785 VanDerWaalsContact ND1-NE1 3.12Å; H735-W785 HydrophobicContact CB-CB 4.2Å; H735-W785 HydrophobicContact CB-CG 4.24Å; Q782-W785 WeakPolarHBondContact O-CZ3 3.48Å; M783-W785 VanDerWaalsContact CA-CZ3 3.5Å; M783-W785 HydrophobicContact CB-CH2 4Å; M783-W785 HydrophobicContact CB-CZ2 3.97Å; M783-W785 HydrophobicContact CB-CZ3 4.37Å; M783-W785 HydrophobicContact CG-CH2 3.73Å; M783-W785 HydrophobicContact CG-CZ2 3.69Å; M783-W785 PolarHBondContact O-N 3.4Å
786A87.1Confident92.2Very high6 Ų644.5 Ų44.55%0.0522%0.215CC..  trans-59.90-179.400000114K479 A482 K483 R719 M783 V784K479-A786 WeakPolarHBondContact CD-OXT 3.35Å; K479-A786 WeakPolarHBondContact CE-OXT 3.49Å; K479-A786 WeakPolarHBondContact CG-OXT 3.37Å; A482-A786 HydrophobicContact CB-CB 3.91Å; K483-A786 WeakPolarHBondContact CE-O 3.41Å; K483-A786 HydrophobicContact CG-CB 4.25Å; K483-A786 PolarHBondContact NZ-O 3.01Å; R719-A786 WeakPolarHBondContact CD-OXT 3.31Å; R719-A786 HydrophobicContact CG-CB 4.14Å; R719-A786 WeakPolarHBondContact CG-OXT 3.11Å; R719-A786 PolarHBondContact NE-OXT 3.48Å; R719-A786 PolarHBondContact NH1-OXT 2.98Å; M783-A786 HydrophobicContact CB-CB 4.39Å; M783-A786 WeakPolarHBondContact O-CB 3.22Å; M783-A786 PolarHBondContact O-N 2.96Å; V784-A786 VanDerWaalsContact C-N 3.32Å

Retrieved 786 of 786 residues in 421.3 ms (Link to these results)

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