A0A3Q0KUN0_SCHMA Loading...

Putative p30 dbc protein

AlphaFold DB , UniProt , Accession A0A3Q0KUN0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,107 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
1M32.3Very low58Low248 Ų248103.2 Ų103.2100%1.22261%0.607SS**  0142.50-71.7154.9168.600107.6
2A34.2Very low60.4Low99 Ų9994.8 Ų94.882%0.81856%0.558SS**  trans-82.2123.2171.600000108.3
3A34.7Very low62.5Low96 Ų9691.5 Ų91.579%0.79353%0.531SS*.  trans-76.3120.5167.200000107.7S5A3-S5 PolarHBondContact O-N 3.41Å
4E40.3Very low64.6Low195 Ų19585 Ų8591%0.91149%0.493SS*.  trans-69.1101.8174.5-68.5-171.213600108.8S6E4-S6 PolarHBondContact O-N 3.03Å; E4-S6 VanDerWaalsContact O-N 3.1Å
5S51.2Low66.2Low72 Ų7280.5 Ų80.550%0.50347%0.467SS..  trans-70.8104.2-176.251.90000110.8A3 S7A3-S5 PolarHBondContact O-N 3.41Å; S5-S7 PolarHBondContact O-N 3.27Å
6S57Low67.7Low78 Ų7880.1 Ų80.155%0.54546%0.458SS..  trans-60.6106.8-177.853.70000112E4 H8E4-S6 PolarHBondContact O-N 3.03Å; E4-S6 VanDerWaalsContact O-N 3.1Å; S6-H8 PolarHBondContact O-CD2 3.41Å
7S63.6Low69.1Low65 Ų6577.8 Ų77.846%0.45544%0.443SS..EExtended strand (participates in β ladder)trans-84.9113.217863.20000111.1S5 A50S5-S7 PolarHBondContact O-N 3.27Å; S7-A50 CarbonylContact C-O 3.56Å; S7-A50 WeakPolarHBondContact CA-O 3.45Å
8H74.8Confident70.4Confident77 Ų7779.1 Ų79.136%0.35644%0.44SS..EExtended strand (participates in β ladder)trans-90.4136.6175.6-72.8-101.5000111.1S6 L10 S49 A50 W60S6-H8 PolarHBondContact O-CD2 3.41Å; H8-L10 HydrophobicContact CB-CD1 4.48Å; H8-L10 HydrophobicContact CB-CG 4.49Å; H8-S49 CarbonylContact O-C 3.58Å; H8-S49 WeakPolarHBondContact O-CA 3.46Å; H8-A50 PolarHBondContact N-O 3.19Å; H8-A50 PolarHBondContact O-N 2.78Å; H8-W60 HydrophobicContact CB-CH2 4.25Å; H8-W60 HydrophobicContact CB-CZ3 4.01Å; H8-W60 AromaticContact CD2-CH2 3.88Å; H8-W60 AromaticContact CD2-CZ3 3.94Å
9Q82.4Confident71.4Confident112 Ų11280.5 Ų80.552%0.52345%0.453SS..EExtended strand (participates in β ladder)trans-81.1124.8163.6-75.2-168.9100110.3A48 W66Q9-A48 WeakPolarHBondContact CA-O 3.41Å; Q9-W66 HydrophobicContact CG-CH2 4.43Å
10L81.8Confident72.4Confident23 Ų2381.3 Ų81.312%0.1246%0.46CS..EExtended strand (participates in β ladder)trans-126.5151.8-179.9-69.5154.7000108.4H8 I28 A47 A48 A50 W60 A354H8-L10 HydrophobicContact CB-CD1 4.48Å; H8-L10 HydrophobicContact CB-CG 4.49Å; L10-I28 HydrophobicContact CB-CD1 3.89Å; L10-I28 HydrophobicContact CD1-CD1 3.74Å; L10-I28 HydrophobicContact CD1-CG1 4.44Å; L10-I28 HydrophobicContact CG-CD1 4.38Å; L10-A47 CarbonylContact O-C 3.55Å; L10-A47 WeakPolarHBondContact O-CA 3.32Å; L10-A48 PolarHBondContact N-O 3.34Å; L10-A48 PolarHBondContact O-N 3.35Å; L10-A50 HydrophobicContact CD1-CB 4.18Å; L10-W60 HydrophobicContact CD1-CD2 4.23Å; L10-W60 HydrophobicContact CD1-CE3 4.03Å; L10-W60 HydrophobicContact CD1-CZ3 4.24Å; L10-A354 HydrophobicContact CD2-CB 4.11Å
11V86.1Confident73.4Confident70 Ų7080 Ų8042%0.42445%0.45SS..EExtended strand (participates in β ladder)trans-126.8136.4176.5-176.40000108.7V46 A47 V68V11-V46 WeakPolarHBondContact CA-O 3.39Å; V11-A47 HydrophobicContact CG2-CB 4.16Å; V11-V68 HydrophobicContact CG1-CG2 4.09Å
12G86.3Confident76.3Confident2 Ų268.2 Ų68.22%0.02139%0.392CS..EExtended strand (participates in β ladder)trans-171.5-170.1-178.300000112.9N25 V46G12-N25 VanDerWaalsContact CA-OD1 3.3Å; G12-N25 WeakPolarHBondContact CA-OD1 3.34Å; G12-V46 PolarHBondContact N-O 3.21Å; G12-V46 WeakPolarHBondContact O-CG2 3.21Å; G12-V46 PolarHBondContact O-N 3.01Å; G12-V46 VanDerWaalsContact O-O 3.1Å
13Y88.3Confident79.1Confident53 Ų5365.8 Ų65.821%0.20836%0.362CS..EExtended strand (participates in β ladder)trans-108.9136.7-175.9-27.8-81000110.1T15 I24 N25 D44 N45Y13-T15 PolarHBondContact O-N 3.01Å; Y13-T15 VanDerWaalsContact O-N 3.08Å; Y13-I24 WeakPolarHBondContact O-CA 3.48Å; Y13-N25 WeakPolarHBondContact CD2-OD1 3.37Å; Y13-N25 PolarHBondContact N-OD1 3.41Å; Y13-N25 PolarHBondContact O-N 2.94Å; Y13-D44 CarbonylContact C-O 3.46Å; Y13-D44 VanDerWaalsContact CA-O 3.3Å; Y13-D44 WeakPolarHBondContact CA-O 3.43Å; Y13-N45 WeakPolarHBondContact CD1-OD1 3.47Å
14V91.2Very high81.8Confident0 Ų061.2 Ų61.20%032%0.324CS..EExtended strand (participates in β ladder)trans-65.2110.8172179.70000109M17 Y23 I24 F30 V40 E41 G43 D44 V46V14-M17 HydrophobicContact CG1-CG 3.54Å; V14-M17 HydrophobicContact CG1-SD 3.8Å; V14-Y23 CarbonylContact C-O 3.6Å; V14-Y23 WeakPolarHBondContact CA-O 3.43Å; V14-I24 HydrophobicContact CG2-CG1 4.48Å; V14-F30 HydrophobicContact CG1-CE1 4.23Å; V14-F30 HydrophobicContact CG1-CZ 4.1Å; V14-F30 HydrophobicContact CG2-CE1 4.33Å; V14-F30 HydrophobicContact CG2-CZ 4.14Å; V14-V40 HydrophobicContact CG2-CB 4.16Å; V14-V40 HydrophobicContact CG2-CG2 4.14Å; V14-E41 WeakPolarHBondContact CB-O 3.44Å; V14-G43 PolarHBondContact O-N 2.81Å; V14-D44 HydrophobicContact CG2-CB 4.22Å; V14-D44 PolarHBondContact N-O 3.22Å; V14-V46 HydrophobicContact CG2-CB 4.45Å; V14-V46 HydrophobicContact CG2-CG1 3.84Å; V14-V46 HydrophobicContact CG2-CG2 3.69Å
15T88.7Confident84Confident18 Ų1853.3 Ų53.311%0.1129%0.288CS..EExtended strand (participates in β ladder)trans-89.6-34.4-173.149.20000113.9Y13 Y23 N26 V42Y13-T15 PolarHBondContact O-N 3.01Å; Y13-T15 VanDerWaalsContact O-N 3.08Å; T15-Y23 PolarHBondContact N-O 3.49Å; T15-Y23 PolarHBondContact OG1-O 3.48Å; T15-N26 WeakPolarHBondContact CB-OD1 3.39Å; T15-N26 PolarHBondContact OG1-N 3.5Å; T15-N26 PolarHBondContact OG1-OD1 3.35Å; T15-V42 WeakPolarHBondContact O-CG1 3.29Å
16K90.8Very high85.7Confident73 Ų7354.4 Ų54.432%0.31729%0.288SS..EExtended strand (participates in β ladder)trans-145.7142.5176.1-66.1-172.9178.6-174.40109.7Y18 G22 Y23 D290K16-Y18 HydrophobicContact CB-CE2 4.01Å; K16-G22 CarbonylContact O-C 3.03Å; K16-G22 VanDerWaalsContact O-CA 3.28Å; K16-G22 WeakPolarHBondContact O-CA 3.37Å; K16-Y23 HydrophobicContact CB-CD2 4.23Å; K16-Y23 PolarHBondContact O-N 3.42Å; K16-D290 WeakPolarHBondContact CE-OD2 3.4Å; K16-D290 IonicContact NZ-OD2 2.75Å; K16-D290 PolarHBondContact NZ-OD2 3.22Å
17M91.6Very high87.1Confident41 Ų4152.9 Ų52.920%0.20227%0.273CS..EExtended strand (participates in β ladder)trans-125.1134173.7-78.6-66.3-71.100110.4V14 F30 R32 M39 V40 V42V14-M17 HydrophobicContact CG1-CG 3.54Å; V14-M17 HydrophobicContact CG1-SD 3.8Å; M17-F30 HydrophobicContact SD-CE1 4.31Å; M17-F30 HydrophobicContact SD-CE2 4Å; M17-F30 HydrophobicContact SD-CZ 3.45Å; M17-F30 WeakPolarHBondContact SD-CZ 3.11Å; M17-R32 HydrophobicContact CE-CG 4.02Å; M17-M39 HydrophobicContact CE-SD 4.42Å; M17-V40 HydrophobicContact CE-CG2 4.45Å; M17-V40 WeakPolarHBondContact CE-O 3.36Å; M17-V40 HydrophobicContact SD-CG2 4.39Å; M17-V42 HydrophobicContact CB-CG2 3.79Å; M17-V42 HydrophobicContact CG-CG2 3.86Å
18Y92.1Very high88.4Confident101 Ų10150.1 Ų50.140%0.39625%0.253SS..  trans-116.8170.7174-65.5-88.4000109.2K16 T20 F21 Y23K16-Y18 HydrophobicContact CB-CE2 4.01Å; Y18-T20 PolarHBondContact O-N 2.88Å; Y18-T20 VanDerWaalsContact O-N 3.14Å; Y18-F21 CarbonylContact C-O 3.56Å; Y18-F21 WeakPolarHBondContact CA-O 3.48Å; Y18-F21 WeakPolarHBondContact CB-O 3.5Å; Y18-F21 HydrophobicContact CD1-CZ 4.38Å; Y18-F21 AromaticContact CD2-CD2 3.86Å; Y18-F21 HydrophobicContact CD2-CD2 3.86Å; Y18-F21 AromaticContact CD2-CE2 3.3Å; Y18-F21 HydrophobicContact CD2-CE2 3.3Å; Y18-F21 AromaticContact CD2-CZ 3.84Å; Y18-F21 HydrophobicContact CD2-CZ 3.84Å; Y18-F21 AromaticContact CE2-CE2 3.92Å; Y18-F21 HydrophobicContact CE2-CE2 3.92Å; Y18-F21 HydrophobicContact CE2-CZ 4.49Å; Y18-F21 HydrophobicContact CG-CD2 4.34Å; Y18-F21 HydrophobicContact CG-CE1 4.45Å; Y18-F21 AromaticContact CG-CE2 3.73Å; Y18-F21 HydrophobicContact CG-CE2 3.73Å; Y18-F21 AromaticContact CG-CZ 3.78Å; Y18-F21 HydrophobicContact CG-CZ 3.78Å; Y18-F21 PolarHBondContact N-O 3.23Å; Y18-F21 VanDerWaalsContact O-O 3.11Å; Y18-Y23 HydrophobicContact CD2-CE2 4.32Å; Y18-Y23 HydrophobicContact CE2-CD2 4.06Å; Y18-Y23 AromaticContact CE2-CE2 3.86Å; Y18-Y23 HydrophobicContact CE2-CE2 3.86Å
19P88.8Confident89.2Confident106 Ų10648.1 Ų48.169%0.68824%0.243SC*.SBendtrans-56.1-33.4-176.5-30.237.8000114.7R32P19-R32 VanDerWaalsContact O-CD 3.23Å; P19-R32 WeakPolarHBondContact O-CD 3.43Å; P19-R32 PolarHBondContact O-NH1 3.15Å
20T92Very high89.8Confident96 Ų9642.8 Ų42.859%0.58922%0.218SC*.SBendtrans-120.2-12.7-171.648.80000115.3Y18 R32Y18-T20 PolarHBondContact O-N 2.88Å; Y18-T20 VanDerWaalsContact O-N 3.14Å; T20-R32 WeakPolarHBondContact O-CB 3.38Å; T20-R32 PolarHBondContact O-N 3.17Å
21F93.5Very high90.3Very high56 Ų5645.1 Ų45.125%0.24623%0.228CC..EExtended strand (participates in β ladder)trans-152.4170.5-178.963.5-92.5000111.2Y18 Y23 F29 F30Y18-F21 CarbonylContact C-O 3.56Å; Y18-F21 WeakPolarHBondContact CA-O 3.48Å; Y18-F21 WeakPolarHBondContact CB-O 3.5Å; Y18-F21 HydrophobicContact CD1-CZ 4.38Å; Y18-F21 AromaticContact CD2-CD2 3.86Å; Y18-F21 HydrophobicContact CD2-CD2 3.86Å; Y18-F21 AromaticContact CD2-CE2 3.3Å; Y18-F21 HydrophobicContact CD2-CE2 3.3Å; Y18-F21 AromaticContact CD2-CZ 3.84Å; Y18-F21 HydrophobicContact CD2-CZ 3.84Å; Y18-F21 AromaticContact CE2-CE2 3.92Å; Y18-F21 HydrophobicContact CE2-CE2 3.92Å; Y18-F21 HydrophobicContact CE2-CZ 4.49Å; Y18-F21 HydrophobicContact CG-CD2 4.34Å; Y18-F21 HydrophobicContact CG-CE1 4.45Å; Y18-F21 AromaticContact CG-CE2 3.73Å; Y18-F21 HydrophobicContact CG-CE2 3.73Å; Y18-F21 AromaticContact CG-CZ 3.78Å; Y18-F21 HydrophobicContact CG-CZ 3.78Å; Y18-F21 PolarHBondContact N-O 3.23Å; Y18-F21 VanDerWaalsContact O-O 3.11Å; F21-Y23 HydrophobicContact CD2-CE2 4.17Å; F21-Y23 AromaticContact CE2-CE2 3.75Å; F21-Y23 HydrophobicContact CE2-CE2 3.75Å; F21-Y23 AromaticContact CE2-CZ 3.94Å; F21-F29 HydrophobicContact CB-CD2 4.44Å; F21-F29 HydrophobicContact CB-CE2 3.6Å; F21-F29 HydrophobicContact CB-CZ 3.95Å; F21-F29 HydrophobicContact CD1-CE2 4.41Å; F21-F29 HydrophobicContact CD2-CD2 4.14Å; F21-F29 AromaticContact CD2-CE2 3.69Å; F21-F29 HydrophobicContact CD2-CE2 3.69Å; F21-F29 HydrophobicContact CE2-CE2 4.48Å; F21-F29 HydrophobicContact CG-CD2 4.5Å; F21-F29 AromaticContact CG-CE2 3.66Å; F21-F29 HydrophobicContact CG-CE2 3.66Å; F21-F29 HydrophobicContact CG-CZ 4.35Å; F21-F30 CarbonylContact C-O 3.59Å; F21-F30 WeakPolarHBondContact CA-O 3.49Å; F21-F30 VanDerWaalsContact CB-O 3.26Å; F21-F30 WeakPolarHBondContact CB-O 3.36Å
22G93Very high90.7Very high0 Ų046.1 Ų46.10%022%0.224CC..EExtended strand (participates in β ladder)trans-147179.9173.400000111.9K16 F30K16-G22 CarbonylContact O-C 3.03Å; K16-G22 VanDerWaalsContact O-CA 3.28Å; K16-G22 WeakPolarHBondContact O-CA 3.37Å; G22-F30 PolarHBondContact N-O 2.91Å; G22-F30 VanDerWaalsContact O-CD1 3.28Å; G22-F30 WeakPolarHBondContact O-CD1 3.48Å; G22-F30 PolarHBondContact O-N 3.27Å
23Y92.6Very high91Very high47 Ų4754.3 Ų54.318%0.18426%0.26CS..EExtended strand (participates in β ladder)trans-127.8142.7176-65.2-68.2000111.2V14 T15 K16 Y18 F21 I28 F29 I58V14-Y23 CarbonylContact C-O 3.6Å; V14-Y23 WeakPolarHBondContact CA-O 3.43Å; T15-Y23 PolarHBondContact N-O 3.49Å; T15-Y23 PolarHBondContact OG1-O 3.48Å; K16-Y23 HydrophobicContact CB-CD2 4.23Å; K16-Y23 PolarHBondContact O-N 3.42Å; Y18-Y23 HydrophobicContact CD2-CE2 4.32Å; Y18-Y23 HydrophobicContact CE2-CD2 4.06Å; Y18-Y23 AromaticContact CE2-CE2 3.86Å; Y18-Y23 HydrophobicContact CE2-CE2 3.86Å; F21-Y23 HydrophobicContact CD2-CE2 4.17Å; F21-Y23 AromaticContact CE2-CE2 3.75Å; F21-Y23 HydrophobicContact CE2-CE2 3.75Å; F21-Y23 AromaticContact CE2-CZ 3.94Å; Y23-I28 CarbonylContact C-O 3.59Å; Y23-I28 VanDerWaalsContact CA-O 3.28Å; Y23-I28 WeakPolarHBondContact CA-O 3.34Å; Y23-F29 HydrophobicContact CD1-CB 4.19Å; Y23-F29 HydrophobicContact CD1-CD2 4.44Å; Y23-F29 HydrophobicContact CE1-CB 3.88Å; Y23-F29 AromaticContact CE1-CD2 3.66Å; Y23-F29 HydrophobicContact CE1-CD2 3.66Å; Y23-F29 HydrophobicContact CE1-CG 4.27Å; Y23-I58 HydrophobicContact CD1-CD1 3.86Å; Y23-I58 HydrophobicContact CE1-CD1 3.24Å
24I91.8Very high91.2Very high1 Ų153 Ų531%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-113130.5171.3-52.4166.9000107.2Y13 V14 N26 E27 I28 F30 V46 A48 V65Y13-I24 WeakPolarHBondContact O-CA 3.48Å; V14-I24 HydrophobicContact CG2-CG1 4.48Å; I24-N26 PolarHBondContact O-N 3.49Å; I24-E27 PolarHBondContact O-N 3.1Å; I24-I28 HydrophobicContact CB-CB 4.21Å; I24-I28 HydrophobicContact CB-CD1 4.45Å; I24-I28 PolarHBondContact N-O 3.1Å; I24-I28 PolarHBondContact O-N 2.88Å; I24-F30 HydrophobicContact CD1-CD1 3.98Å; I24-F30 HydrophobicContact CD1-CE1 4.22Å; I24-F30 HydrophobicContact CG1-CD1 3.69Å; I24-F30 HydrophobicContact CG1-CE1 3.63Å; I24-V46 HydrophobicContact CD1-CG2 3.63Å; I24-V46 HydrophobicContact CG1-CG2 3.81Å; I24-V46 HydrophobicContact CG2-CG2 3.93Å; I24-A48 HydrophobicContact CD1-CB 3.65Å; I24-V65 HydrophobicContact CD1-CG1 3.94Å; I24-V65 HydrophobicContact CD1-CG2 4.04Å
25N87.1Confident91.3Very high29 Ų2954 Ų5416%0.15526%0.264CS..THydrogen-bonded Turntrans52.113.9-174.6-64.24.9000115.7G12 Y13 E27G12-N25 VanDerWaalsContact CA-OD1 3.3Å; G12-N25 WeakPolarHBondContact CA-OD1 3.34Å; Y13-N25 WeakPolarHBondContact CD2-OD1 3.37Å; Y13-N25 PolarHBondContact N-OD1 3.41Å; Y13-N25 PolarHBondContact O-N 2.94Å; N25-E27 PolarHBondContact O-N 3.25Å; N25-E27 VanDerWaalsContact O-N 3.11Å
26N87Confident91.4Very high94 Ų9457.5 Ų57.550%0.50328%0.281SS..THydrogen-bonded Turntrans60-4.7-162.4-59.9-28.9000115.6T15 I24T15-N26 WeakPolarHBondContact CB-OD1 3.39Å; T15-N26 PolarHBondContact OG1-N 3.5Å; T15-N26 PolarHBondContact OG1-OD1 3.35Å; I24-N26 PolarHBondContact O-N 3.49Å
27E86.3Confident91.3Very high47 Ų4757 Ų5722%0.2230%0.297CS..THydrogen-bonded Turntrans-94-26.2-176.9-68.8173.9-145.500113.3I24 N25 I58 S352 T353I24-E27 PolarHBondContact O-N 3.1Å; N25-E27 PolarHBondContact O-N 3.25Å; N25-E27 VanDerWaalsContact O-N 3.11Å; E27-I58 VanDerWaalsContact O-CG2 3.28Å; E27-I58 WeakPolarHBondContact O-CG2 3.34Å; E27-S352 WeakPolarHBondContact OE2-CA 3.48Å; E27-S352 WeakPolarHBondContact OE2-CB 3.37Å; E27-S352 PolarHBondContact OE2-OG 3.3Å; E27-T353 WeakPolarHBondContact OE1-CB 3.48Å; E27-T353 WeakPolarHBondContact OE1-CG2 3.35Å; E27-T353 PolarHBondContact OE1-N 3.36Å; E27-T353 PolarHBondContact OE1-OG1 3.13Å
28I89.4Confident91.1Very high7 Ų759.1 Ų59.14%0.03631%0.313CS..EExtended strand (participates in β ladder)trans-119.9119.7-173-48.4168.5000109.9L10 Y23 I24 A50 W60 A62L10-I28 HydrophobicContact CB-CD1 3.89Å; L10-I28 HydrophobicContact CD1-CD1 3.74Å; L10-I28 HydrophobicContact CD1-CG1 4.44Å; L10-I28 HydrophobicContact CG-CD1 4.38Å; Y23-I28 CarbonylContact C-O 3.59Å; Y23-I28 VanDerWaalsContact CA-O 3.28Å; Y23-I28 WeakPolarHBondContact CA-O 3.34Å; I24-I28 HydrophobicContact CB-CB 4.21Å; I24-I28 HydrophobicContact CB-CD1 4.45Å; I24-I28 PolarHBondContact N-O 3.1Å; I24-I28 PolarHBondContact O-N 2.88Å; I28-A50 HydrophobicContact CG2-CB 3.91Å; I28-W60 WeakPolarHBondContact CA-O 3.38Å; I28-W60 HydrophobicContact CB-CB 4.14Å; I28-W60 HydrophobicContact CG1-CB 3.87Å; I28-W60 HydrophobicContact CG1-CG 4.43Å; I28-W60 HydrophobicContact CG2-CB 4.07Å; I28-A62 HydrophobicContact CG2-CB 3.92Å
29F92.9Very high91Very high34 Ų3458.7 Ų58.715%0.14932%0.316CS..EExtended strand (participates in β ladder)trans-79.1141.9169.6170.7-97.4000110.9F21 Y23 Q31 I58 W60 S61 A62F21-F29 HydrophobicContact CB-CD2 4.44Å; F21-F29 HydrophobicContact CB-CE2 3.6Å; F21-F29 HydrophobicContact CB-CZ 3.95Å; F21-F29 HydrophobicContact CD1-CE2 4.41Å; F21-F29 HydrophobicContact CD2-CD2 4.14Å; F21-F29 AromaticContact CD2-CE2 3.69Å; F21-F29 HydrophobicContact CD2-CE2 3.69Å; F21-F29 HydrophobicContact CE2-CE2 4.48Å; F21-F29 HydrophobicContact CG-CD2 4.5Å; F21-F29 AromaticContact CG-CE2 3.66Å; F21-F29 HydrophobicContact CG-CE2 3.66Å; F21-F29 HydrophobicContact CG-CZ 4.35Å; Y23-F29 HydrophobicContact CD1-CB 4.19Å; Y23-F29 HydrophobicContact CD1-CD2 4.44Å; Y23-F29 HydrophobicContact CE1-CB 3.88Å; Y23-F29 AromaticContact CE1-CD2 3.66Å; Y23-F29 HydrophobicContact CE1-CD2 3.66Å; Y23-F29 HydrophobicContact CE1-CG 4.27Å; F29-Q31 HydrophobicContact CE1-CG 3.7Å; F29-Q31 HydrophobicContact CZ-CG 3.81Å; F29-I58 HydrophobicContact CB-CG2 4.03Å; F29-W60 PolarHBondContact N-O 3.3Å; F29-S61 WeakPolarHBondContact O-CA 3.32Å; F29-A62 PolarHBondContact O-N 2.92Å
30F94.2Very high91.2Very high0 Ų053.7 Ų53.70%028%0.283CS..EExtended strand (participates in β ladder)trans-142.8139.8169.472.4-86000112.4V14 M17 F21 G22 I24 V35 V40 A62 V65V14-F30 HydrophobicContact CG1-CE1 4.23Å; V14-F30 HydrophobicContact CG1-CZ 4.1Å; V14-F30 HydrophobicContact CG2-CE1 4.33Å; V14-F30 HydrophobicContact CG2-CZ 4.14Å; M17-F30 HydrophobicContact SD-CE1 4.31Å; M17-F30 HydrophobicContact SD-CE2 4Å; M17-F30 HydrophobicContact SD-CZ 3.45Å; M17-F30 WeakPolarHBondContact SD-CZ 3.11Å; F21-F30 CarbonylContact C-O 3.59Å; F21-F30 WeakPolarHBondContact CA-O 3.49Å; F21-F30 VanDerWaalsContact CB-O 3.26Å; F21-F30 WeakPolarHBondContact CB-O 3.36Å; G22-F30 PolarHBondContact N-O 2.91Å; G22-F30 VanDerWaalsContact O-CD1 3.28Å; G22-F30 WeakPolarHBondContact O-CD1 3.48Å; G22-F30 PolarHBondContact O-N 3.27Å; I24-F30 HydrophobicContact CD1-CD1 3.98Å; I24-F30 HydrophobicContact CD1-CE1 4.22Å; I24-F30 HydrophobicContact CG1-CD1 3.69Å; I24-F30 HydrophobicContact CG1-CE1 3.63Å; F30-V35 HydrophobicContact CD2-CG2 4.02Å; F30-V35 HydrophobicContact CE2-CG2 3.72Å; F30-V40 HydrophobicContact CE2-CG2 3.71Å; F30-V40 HydrophobicContact CZ-CG2 3.71Å; F30-A62 HydrophobicContact CB-CB 3.81Å; F30-V65 HydrophobicContact CB-CG2 3.69Å; F30-V65 HydrophobicContact CD2-CB 4.45Å; F30-V65 HydrophobicContact CD2-CG2 3.95Å; F30-V65 HydrophobicContact CG-CG2 3.86Å
31Q93.1Very high91.1Very high73 Ų7355.2 Ų55.234%0.34128%0.284SS..EExtended strand (participates in β ladder)trans-81.4147.8171.7-60.2-172.67.600110.2F29 K33 C34F29-Q31 HydrophobicContact CE1-CG 3.7Å; F29-Q31 HydrophobicContact CZ-CG 3.81Å; Q31-K33 HydrophobicContact CB-CG 4.03Å; Q31-K33 PolarHBondContact O-N 2.92Å; Q31-K33 VanDerWaalsContact O-N 3.08Å; Q31-C34 WeakPolarHBondContact O-CB 3.47Å; Q31-C34 PolarHBondContact O-N 2.78Å
32R93Very high91Very high90 Ų9056.5 Ų56.534%0.3430%0.296SS..G310 helixtrans-61.4-24.8-176.3-135.5173.7-179.2168.93.2114M17 P19 T20 C34 V35 M39M17-R32 HydrophobicContact CE-CG 4.02Å; P19-R32 VanDerWaalsContact O-CD 3.23Å; P19-R32 WeakPolarHBondContact O-CD 3.43Å; P19-R32 PolarHBondContact O-NH1 3.15Å; T20-R32 WeakPolarHBondContact O-CB 3.38Å; T20-R32 PolarHBondContact O-N 3.17Å; R32-C34 VanDerWaalsContact C-N 3.29Å; R32-V35 WeakPolarHBondContact O-CB 3.39Å; R32-V35 WeakPolarHBondContact O-CG2 3.3Å; R32-V35 PolarHBondContact O-N 2.96Å; R32-M39 HydrophobicContact CG-CE 3.89Å; R32-M39 HydrophobicContact CG-SD 3.66Å; R32-M39 PolarHBondContact NE-SD 3.4Å
33K93.1Very high90.6Very high175 Ų17559 Ų5976%0.76132%0.322SS*.G310 helixtrans-74.4-9.917326.2169160.21370114.7Q31 V35Q31-K33 HydrophobicContact CB-CG 4.03Å; Q31-K33 PolarHBondContact O-N 2.92Å; Q31-K33 VanDerWaalsContact O-N 3.08Å; K33-V35 VanDerWaalsContact C-N 3.32Å
34C92.5Very high90.4Very high24 Ų2458.2 Ų58.216%0.16232%0.321CS..G310 helixtrans-84.9-7.6173-56.40000112.1Q31 R32 I36 A62 E63 K64 V65Q31-C34 WeakPolarHBondContact O-CB 3.47Å; Q31-C34 PolarHBondContact O-N 2.78Å; R32-C34 VanDerWaalsContact C-N 3.29Å; C34-I36 PolarHBondContact O-N 2.71Å; C34-A62 PolarHBondContact SG-O 3.18Å; C34-A62 VanDerWaalsContact SG-O 3.39Å; C34-E63 VanDerWaalsContact CB-O 3.28Å; C34-E63 WeakPolarHBondContact CB-O 3.49Å; C34-K64 CarbonylContact O-C 3.52Å; C34-K64 WeakPolarHBondContact O-CA 3.28Å; C34-V65 PolarHBondContact O-N 3Å
35V93.9Very high90.2Very high23 Ų2360.7 Ų60.714%0.13933%0.334CS..BIsolated β-bridgetrans-78122.4-178.7-175.40000110.1F30 R32 K33 P38 V40 V65F30-V35 HydrophobicContact CD2-CG2 4.02Å; F30-V35 HydrophobicContact CE2-CG2 3.72Å; R32-V35 WeakPolarHBondContact O-CB 3.39Å; R32-V35 WeakPolarHBondContact O-CG2 3.3Å; R32-V35 PolarHBondContact O-N 2.96Å; K33-V35 VanDerWaalsContact C-N 3.32Å; V35-P38 WeakPolarHBondContact CG1-O 3.34Å; V35-V40 HydrophobicContact CG1-CG1 3.96Å; V35-V40 HydrophobicContact CG1-CG2 4.21Å; V35-V40 HydrophobicContact CG2-CG2 3.85Å; V35-V65 CarbonylContact C-O 3.42Å; V35-V65 VanDerWaalsContact CA-O 3.32Å; V35-V65 WeakPolarHBondContact CA-O 3.35Å
36I90.6Very high90.4Very high91 Ų9159.3 Ų59.347%0.46733%0.327SS..  trans-103.5124.9178-58.3177.6000108.6C34 K64 V65 W66C34-I36 PolarHBondContact O-N 2.71Å; I36-K64 HydrophobicContact CD1-CB 3.93Å; I36-K64 HydrophobicContact CD1-CD 3.95Å; I36-K64 HydrophobicContact CD1-CG 3.89Å; I36-V65 PolarHBondContact N-O 2.97Å; I36-W66 HydrophobicContact CB-CB 4.39Å
37G89.4Confident90.6Very high63 Ų6355.3 Ų55.365%0.64931%0.307SS*.SBendtrans90.9-146.1-177.800000112.5
38P87.4Confident90.8Very high84 Ų8453.1 Ų53.155%0.54530%0.297SS..SBendtrans-58.6144.6177.1-23.234.4000112.3V35V35-P38 WeakPolarHBondContact CG1-O 3.34Å
39M90.6Very high90.9Very high92 Ų9253.5 Ų53.545%0.45330%0.3SS..PPolyproline II helixtrans-58.1139.1172.7-176.556.458.800110.5M17 R32M17-M39 HydrophobicContact CE-SD 4.42Å; R32-M39 HydrophobicContact CG-CE 3.89Å; R32-M39 HydrophobicContact CG-SD 3.66Å; R32-M39 PolarHBondContact NE-SD 3.4Å
40V91Very high90.8Very high1 Ų151.9 Ų51.91%0.00629%0.293CS..PPolyproline II helixtrans-93.6146.7179.8-63.60000112V14 M17 F30 V35 D44 V46 R67V14-V40 HydrophobicContact CG2-CB 4.16Å; V14-V40 HydrophobicContact CG2-CG2 4.14Å; M17-V40 HydrophobicContact CE-CG2 4.45Å; M17-V40 WeakPolarHBondContact CE-O 3.36Å; M17-V40 HydrophobicContact SD-CG2 4.39Å; F30-V40 HydrophobicContact CE2-CG2 3.71Å; F30-V40 HydrophobicContact CZ-CG2 3.71Å; V35-V40 HydrophobicContact CG1-CG1 3.96Å; V35-V40 HydrophobicContact CG1-CG2 4.21Å; V35-V40 HydrophobicContact CG2-CG2 3.85Å; V40-D44 VanDerWaalsContact CA-OD2 3.23Å; V40-D44 WeakPolarHBondContact CA-OD2 3.2Å; V40-D44 HydrophobicContact CB-CB 4.46Å; V40-V46 HydrophobicContact CB-CG1 4.26Å; V40-V46 HydrophobicContact CG1-CG1 3.61Å; V40-R67 HydrophobicContact CG1-CG 3.89Å
41E90.5Very high90.5Very high129 Ų12952.3 Ų52.360%0.60330%0.296SS*.  trans-122.6163.1-176.4-62.9-177.6150.600110.5V14 G43 D44 R67V14-E41 WeakPolarHBondContact CB-O 3.44Å; E41-G43 PolarHBondContact O-N 3.11Å; E41-D44 PolarHBondContact N-OD2 2.95Å; E41-D44 WeakPolarHBondContact O-CB 3.31Å; E41-D44 PolarHBondContact O-N 3.4Å; E41-D44 VanDerWaalsContact O-N 3.08Å; E41-R67 IonicContact OE2-NH2 2.65Å
42V91.1Very high90.2Very high82 Ų8253.4 Ų53.450%0.49730%0.297SS..THydrogen-bonded Turntrans-65.8125.7-179.2179.70000110T15 M17T15-V42 WeakPolarHBondContact O-CG1 3.29Å; M17-V42 HydrophobicContact CB-CG2 3.79Å; M17-V42 HydrophobicContact CG-CG2 3.86Å
43G86Confident89.8Confident53 Ų5351.9 Ų51.955%0.54629%0.294SS..THydrogen-bonded Turntrans100.5-11.1-172.900000114.6V14 E41V14-G43 PolarHBondContact O-N 2.81Å; E41-G43 PolarHBondContact O-N 3.11Å
44D87.1Confident89.1Confident30 Ų3047.5 Ų47.516%0.1628%0.284CS..  trans-64.1138.5177.5-86.8-26.7000113Y13 V14 V40 E41 V46 R67Y13-D44 CarbonylContact C-O 3.46Å; Y13-D44 VanDerWaalsContact CA-O 3.3Å; Y13-D44 WeakPolarHBondContact CA-O 3.43Å; V14-D44 HydrophobicContact CG2-CB 4.22Å; V14-D44 PolarHBondContact N-O 3.22Å; V40-D44 VanDerWaalsContact CA-OD2 3.23Å; V40-D44 WeakPolarHBondContact CA-OD2 3.2Å; V40-D44 HydrophobicContact CB-CB 4.46Å; E41-D44 PolarHBondContact N-OD2 2.95Å; E41-D44 WeakPolarHBondContact O-CB 3.31Å; E41-D44 PolarHBondContact O-N 3.4Å; E41-D44 VanDerWaalsContact O-N 3.08Å; D44-V46 HydrophobicContact CB-CG1 4.14Å; D44-R67 IonicContact OD1-CZ 2.66Å; D44-R67 VanDerWaalsContact OD1-CZ 3.3Å; D44-R67 IonicContact OD1-NE 3.43Å; D44-R67 PolarHBondContact OD1-NE 3.04Å; D44-R67 IonicContact OD1-NH2 3.02Å; D44-R67 PolarHBondContact OD1-NH2 3.04Å; D44-R67 IonicContact OD2-CZ 3.84Å; D44-R67 IonicContact OD2-NE 3.33Å; D44-R67 PolarHBondContact OD2-NE 3.1Å; D44-R67 IonicContact OD2-NH2 2.82Å; D44-R67 PolarHBondContact OD2-NH2 3.21Å
45N88Confident88.5Confident54 Ų5453.6 Ų53.629%0.28931%0.309SS..EExtended strand (participates in β ladder)trans-81.4116.2170.3-130.8-13.7000109.4Y13 V68Y13-N45 WeakPolarHBondContact CD1-OD1 3.47Å; N45-V68 PolarHBondContact O-N 3.29Å
46V91.7Very high87.8Confident0 Ų055.9 Ų55.90%032%0.319CS..EExtended strand (participates in β ladder)trans-131.5143.2-171.3-69.50000111.7V11 G12 V14 I24 V40 D44 V65 W66V11-V46 WeakPolarHBondContact CA-O 3.39Å; G12-V46 PolarHBondContact N-O 3.21Å; G12-V46 WeakPolarHBondContact O-CG2 3.21Å; G12-V46 PolarHBondContact O-N 3.01Å; G12-V46 VanDerWaalsContact O-O 3.1Å; V14-V46 HydrophobicContact CG2-CB 4.45Å; V14-V46 HydrophobicContact CG2-CG1 3.84Å; V14-V46 HydrophobicContact CG2-CG2 3.69Å; I24-V46 HydrophobicContact CD1-CG2 3.63Å; I24-V46 HydrophobicContact CG1-CG2 3.81Å; I24-V46 HydrophobicContact CG2-CG2 3.93Å; V40-V46 HydrophobicContact CB-CG1 4.26Å; V40-V46 HydrophobicContact CG1-CG1 3.61Å; D44-V46 HydrophobicContact CB-CG1 4.14Å; V46-V65 HydrophobicContact CB-CG1 3.87Å; V46-V65 HydrophobicContact CG1-CG1 4.1Å; V46-V65 HydrophobicContact CG2-CG1 4.21Å; V46-W66 CarbonylContact C-O 3.59Å; V46-W66 VanDerWaalsContact CA-O 3.28Å; V46-W66 WeakPolarHBondContact CA-O 3.33Å
47A90.4Very high87Confident9 Ų957.8 Ų57.87%0.07434%0.337CS..EExtended strand (participates in β ladder)trans-98140.5164.200000108.6L10 V11 V65 W66 V68L10-A47 CarbonylContact O-C 3.55Å; L10-A47 WeakPolarHBondContact O-CA 3.32Å; V11-A47 HydrophobicContact CG2-CB 4.16Å; A47-V65 CarbonylContact O-C 3.48Å; A47-V65 WeakPolarHBondContact O-CA 3.47Å; A47-W66 HydrophobicContact CB-CD2 4.28Å; A47-W66 HydrophobicContact CB-CZ2 3.82Å; A47-W66 PolarHBondContact N-O 3.11Å; A47-W66 PolarHBondContact O-N 3.01Å; A47-V68 HydrophobicContact CB-CG2 3.92Å
48A91.4Very high86.7Confident1 Ų157.1 Ų57.11%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-134.2135.7-177.700000110.7Q9 L10 I24 A62 K64 V65Q9-A48 WeakPolarHBondContact CA-O 3.41Å; L10-A48 PolarHBondContact N-O 3.34Å; L10-A48 PolarHBondContact O-N 3.35Å; I24-A48 HydrophobicContact CD1-CB 3.65Å; A48-A62 HydrophobicContact CB-CB 4.07Å; A48-K64 CarbonylContact C-O 3.6Å; A48-K64 VanDerWaalsContact CA-O 3.25Å; A48-K64 WeakPolarHBondContact CA-O 3.32Å; A48-V65 HydrophobicContact CB-CG2 4.02Å
49S92Very high86.6Confident15 Ų1558.3 Ų58.311%0.10532%0.315CS..EExtended strand (participates in β ladder)trans-93.9109.7166-1670000107.5H8 A62 E63 K64H8-S49 CarbonylContact O-C 3.58Å; H8-S49 WeakPolarHBondContact O-CA 3.46Å; S49-A62 CarbonylContact O-C 3.58Å; S49-A62 WeakPolarHBondContact O-CA 3.4Å; S49-E63 PolarHBondContact O-N 2.93Å; S49-K64 PolarHBondContact N-O 3.2Å; S49-K64 PolarHBondContact O-N 3.21Å
50A89.6Confident86.6Confident0 Ų056.4 Ų56.40%030%0.303CS..EExtended strand (participates in β ladder)trans-125.9144.9-173.300000113.8S7 H8 L10 I28 W60 S61 A62S7-A50 CarbonylContact C-O 3.56Å; S7-A50 WeakPolarHBondContact CA-O 3.45Å; H8-A50 PolarHBondContact N-O 3.19Å; H8-A50 PolarHBondContact O-N 2.78Å; L10-A50 HydrophobicContact CD1-CB 4.18Å; I28-A50 HydrophobicContact CG2-CB 3.91Å; A50-W60 HydrophobicContact CB-CE3 4.16Å; A50-S61 WeakPolarHBondContact CA-O 3.49Å; A50-A62 HydrophobicContact CB-CB 4.08Å
51V89.3Confident86.5Confident10 Ų1057.3 Ų57.36%0.06131%0.309CS..EExtended strand (participates in β ladder)trans-104.6139.3178.5168.70000108.8Q53 S61 E63V51-Q53 HydrophobicContact CG1-CG 4.18Å; V51-S61 PolarHBondContact N-O 3.48Å; V51-S61 PolarHBondContact O-N 3.01Å; V51-E63 HydrophobicContact CG2-CG 4.26Å
52Y86.2Confident86.6Confident96 Ų9651.3 Ų51.338%0.37628%0.282SS..EExtended strand (participates in β ladder)trans-81.7127.8173.9-174.9-102000110.8P54 K59 W60Y52-P54 HydrophobicContact CE1-CB 3.84Å; Y52-P54 HydrophobicContact CE1-CG 4.25Å; Y52-K59 CarbonylContact C-O 3.25Å; Y52-K59 WeakPolarHBondContact CA-O 3.42Å; Y52-K59 HydrophobicContact CD2-CB 4.04Å; Y52-K59 HydrophobicContact CE2-CB 3.63Å; Y52-K59 HydrophobicContact CE2-CD 3.92Å; Y52-K59 HydrophobicContact CE2-CG 4.31Å; Y52-W60 HydrophobicContact CD2-CD2 4.18Å; Y52-W60 AromaticContact CD2-CE2 3.91Å; Y52-W60 HydrophobicContact CD2-CZ2 4.14Å
53Q84.7Confident86.7Confident57 Ų5752.5 Ų52.527%0.26628%0.282SS..  trans-130.290.1-176.5-66.7-174.5-29.800109.1V51 H55 M56 K59 S61V51-Q53 HydrophobicContact CG1-CG 4.18Å; Q53-H55 PolarHBondContact O-N 2.79Å; Q53-H55 VanDerWaalsContact O-N 3.11Å; Q53-M56 HydrophobicContact CB-CB 4.18Å; Q53-M56 HydrophobicContact CB-CG 3.81Å; Q53-M56 PolarHBondContact O-N 3.21Å; Q53-K59 PolarHBondContact N-O 3.4Å; Q53-S61 VanDerWaalsContact OE1-CB 3.29Å; Q53-S61 PolarHBondContact OE1-OG 3.16Å
54P78.3Confident87Confident84 Ų8455.3 Ų55.355%0.54528%0.279SS..THydrogen-bonded Turntrans-67.2-16.2-169.625.1-34.3000114.7Y52Y52-P54 HydrophobicContact CE1-CB 3.84Å; Y52-P54 HydrophobicContact CE1-CG 4.25Å
55H79.3Confident87.3Confident152 Ų15253.9 Ų53.970%0.70427%0.272SS*.THydrogen-bonded Turntrans-89.1-3.717750.6-98000113.6Q53Q53-H55 PolarHBondContact O-N 2.79Å; Q53-H55 VanDerWaalsContact O-N 3.11Å
56M78.7Confident87.6Confident70 Ų7054.8 Ų54.835%0.34527%0.271SS..SBendtrans-93.2144.1175.5-70.5-75.1-83.700110.5Q53 I58Q53-M56 HydrophobicContact CB-CB 4.18Å; Q53-M56 HydrophobicContact CB-CG 3.81Å; Q53-M56 PolarHBondContact O-N 3.21Å; M56-I58 VanDerWaalsContact CB-O 3.3Å; M56-I58 WeakPolarHBondContact CB-O 3.39Å; M56-I58 PolarHBondContact O-N 3.41Å
57P75.1Confident87.5Confident131 Ų13159.2 Ų59.285%0.85129%0.288SS*.SBendtrans-64.7-23.1179.826.8-35.2000113
58I82.6Confident87.3Confident49 Ų4961.8 Ų61.825%0.25130%0.302SS..SBendtrans-116.1115.8165.2-74.1171.6000106.5Y23 E27 F29 M56 W60Y23-I58 HydrophobicContact CD1-CD1 3.86Å; Y23-I58 HydrophobicContact CE1-CD1 3.24Å; E27-I58 VanDerWaalsContact O-CG2 3.28Å; E27-I58 WeakPolarHBondContact O-CG2 3.34Å; F29-I58 HydrophobicContact CB-CG2 4.03Å; M56-I58 VanDerWaalsContact CB-O 3.3Å; M56-I58 WeakPolarHBondContact CB-O 3.39Å; M56-I58 PolarHBondContact O-N 3.41Å; I58-W60 PolarHBondContact O-N 2.89Å
59K86.1Confident86Confident109 Ų10970.1 Ų70.147%0.47434%0.341SS..SBendtrans-77.3-15-162.2-66.2177.4168.7-173.40114.5Y52 Q53Y52-K59 CarbonylContact C-O 3.25Å; Y52-K59 WeakPolarHBondContact CA-O 3.42Å; Y52-K59 HydrophobicContact CD2-CB 4.04Å; Y52-K59 HydrophobicContact CE2-CB 3.63Å; Y52-K59 HydrophobicContact CE2-CD 3.92Å; Y52-K59 HydrophobicContact CE2-CG 4.31Å; Q53-K59 PolarHBondContact N-O 3.4Å
60W89Confident84.1Confident52 Ų5273.9 Ų73.920%0.19736%0.357CS..EExtended strand (participates in β ladder)trans-109.5130.4175.6-69.1101.6000110.8H8 L10 I28 F29 A50 Y52 I58H8-W60 HydrophobicContact CB-CH2 4.25Å; H8-W60 HydrophobicContact CB-CZ3 4.01Å; H8-W60 AromaticContact CD2-CH2 3.88Å; H8-W60 AromaticContact CD2-CZ3 3.94Å; L10-W60 HydrophobicContact CD1-CD2 4.23Å; L10-W60 HydrophobicContact CD1-CE3 4.03Å; L10-W60 HydrophobicContact CD1-CZ3 4.24Å; I28-W60 WeakPolarHBondContact CA-O 3.38Å; I28-W60 HydrophobicContact CB-CB 4.14Å; I28-W60 HydrophobicContact CG1-CB 3.87Å; I28-W60 HydrophobicContact CG1-CG 4.43Å; I28-W60 HydrophobicContact CG2-CB 4.07Å; F29-W60 PolarHBondContact N-O 3.3Å; A50-W60 HydrophobicContact CB-CE3 4.16Å; Y52-W60 HydrophobicContact CD2-CD2 4.18Å; Y52-W60 AromaticContact CD2-CE2 3.91Å; Y52-W60 HydrophobicContact CD2-CZ2 4.14Å; I58-W60 PolarHBondContact O-N 2.89Å
61S90.7Very high81.7Confident20 Ų2086 Ų8614%0.1440%0.403CS..EExtended strand (participates in β ladder)trans-127.6113.6-177.1-1650000109.5F29 A50 V51 Q53F29-S61 WeakPolarHBondContact O-CA 3.32Å; A50-S61 WeakPolarHBondContact CA-O 3.49Å; V51-S61 PolarHBondContact N-O 3.48Å; V51-S61 PolarHBondContact O-N 3.01Å; Q53-S61 VanDerWaalsContact OE1-CB 3.29Å; Q53-S61 PolarHBondContact OE1-OG 3.16Å
62A92Very high79.1Confident4 Ų494 Ų943%0.03343%0.432CS..EExtended strand (participates in β ladder)trans-83.7122.9-176.600000112.4I28 F29 F30 C34 A48 S49 A50 V65I28-A62 HydrophobicContact CG2-CB 3.92Å; F29-A62 PolarHBondContact O-N 2.92Å; F30-A62 HydrophobicContact CB-CB 3.81Å; C34-A62 PolarHBondContact SG-O 3.18Å; C34-A62 VanDerWaalsContact SG-O 3.39Å; A48-A62 HydrophobicContact CB-CB 4.07Å; S49-A62 CarbonylContact O-C 3.58Å; S49-A62 WeakPolarHBondContact O-CA 3.4Å; A50-A62 HydrophobicContact CB-CB 4.08Å; A62-V65 HydrophobicContact CB-CG2 3.72Å
63E92.7Very high76.7Confident106 Ų10693.3 Ų93.350%0.49545%0.453SS..EExtended strand (participates in β ladder)trans-80.2-30.4173.2-58.5-170129.800112.2C34 S49 V51C34-E63 VanDerWaalsContact CB-O 3.28Å; C34-E63 WeakPolarHBondContact CB-O 3.49Å; S49-E63 PolarHBondContact O-N 2.93Å; V51-E63 HydrophobicContact CG2-CG 4.26Å
64K92.7Very high74.2Confident112 Ų11299 Ų9949%0.48748%0.477SS..EExtended strand (participates in β ladder)trans-142.2134.3-177.8-64.6177.1-179.3164.10109.6C34 I36 A48 S49 W66C34-K64 CarbonylContact O-C 3.52Å; C34-K64 WeakPolarHBondContact O-CA 3.28Å; I36-K64 HydrophobicContact CD1-CB 3.93Å; I36-K64 HydrophobicContact CD1-CD 3.95Å; I36-K64 HydrophobicContact CD1-CG 3.89Å; A48-K64 CarbonylContact C-O 3.6Å; A48-K64 VanDerWaalsContact CA-O 3.25Å; A48-K64 WeakPolarHBondContact CA-O 3.32Å; S49-K64 PolarHBondContact N-O 3.2Å; S49-K64 PolarHBondContact O-N 3.21Å; K64-W66 HydrophobicContact CB-CE3 4.19Å; K64-W66 HydrophobicContact CB-CZ3 3.8Å
65V93.7Very high72Confident0 Ų0100.6 Ų100.60%049%0.491CS..EExtended strand (participates in β ladder)trans-135.2136.2177.3-178.60000108.6I24 F30 C34 V35 I36 V46 A47 A48 A62I24-V65 HydrophobicContact CD1-CG1 3.94Å; I24-V65 HydrophobicContact CD1-CG2 4.04Å; F30-V65 HydrophobicContact CB-CG2 3.69Å; F30-V65 HydrophobicContact CD2-CB 4.45Å; F30-V65 HydrophobicContact CD2-CG2 3.95Å; F30-V65 HydrophobicContact CG-CG2 3.86Å; C34-V65 PolarHBondContact O-N 3Å; V35-V65 CarbonylContact C-O 3.42Å; V35-V65 VanDerWaalsContact CA-O 3.32Å; V35-V65 WeakPolarHBondContact CA-O 3.35Å; I36-V65 PolarHBondContact N-O 2.97Å; V46-V65 HydrophobicContact CB-CG1 3.87Å; V46-V65 HydrophobicContact CG1-CG1 4.1Å; V46-V65 HydrophobicContact CG2-CG1 4.21Å; A47-V65 CarbonylContact O-C 3.48Å; A47-V65 WeakPolarHBondContact O-CA 3.47Å; A48-V65 HydrophobicContact CB-CG2 4.02Å; A62-V65 HydrophobicContact CB-CG2 3.72Å
66W93.3Very high69.8Low74 Ų74103.9 Ų103.928%0.2850%0.497SS..EExtended strand (participates in β ladder)trans-142.9146.5175.55599.1000110.7Q9 I36 V46 A47 K64 V68Q9-W66 HydrophobicContact CG-CH2 4.43Å; I36-W66 HydrophobicContact CB-CB 4.39Å; V46-W66 CarbonylContact C-O 3.59Å; V46-W66 VanDerWaalsContact CA-O 3.28Å; V46-W66 WeakPolarHBondContact CA-O 3.33Å; A47-W66 HydrophobicContact CB-CD2 4.28Å; A47-W66 HydrophobicContact CB-CZ2 3.82Å; A47-W66 PolarHBondContact N-O 3.11Å; A47-W66 PolarHBondContact O-N 3.01Å; K64-W66 HydrophobicContact CB-CE3 4.19Å; K64-W66 HydrophobicContact CB-CZ3 3.8Å; W66-V68 PolarHBondContact O-N 3.11Å
67R89.2Confident67.6Low93 Ų93108.1 Ų108.135%0.35152%0.521SS..EExtended strand (participates in β ladder)trans-57.5132.5170.1-79.7-169.5171.5173.4-4.7108.7V40 E41 D44 E69V40-R67 HydrophobicContact CG1-CG 3.89Å; E41-R67 IonicContact OE2-NH2 2.65Å; D44-R67 IonicContact OD1-CZ 2.66Å; D44-R67 VanDerWaalsContact OD1-CZ 3.3Å; D44-R67 IonicContact OD1-NE 3.43Å; D44-R67 PolarHBondContact OD1-NE 3.04Å; D44-R67 IonicContact OD1-NH2 3.02Å; D44-R67 PolarHBondContact OD1-NH2 3.04Å; D44-R67 IonicContact OD2-CZ 3.84Å; D44-R67 IonicContact OD2-NE 3.33Å; D44-R67 PolarHBondContact OD2-NE 3.1Å; D44-R67 IonicContact OD2-NH2 2.82Å; D44-R67 PolarHBondContact OD2-NH2 3.21Å; R67-E69 PolarHBondContact O-N 2.88Å
68V86Confident65.6Low63 Ų63110.7 Ų110.738%0.38252%0.519SS..  trans-71114.8165.5-178.60000106.3V11 N45 A47 W66 E70V11-V68 HydrophobicContact CG1-CG2 4.09Å; N45-V68 PolarHBondContact O-N 3.29Å; A47-V68 HydrophobicContact CB-CG2 3.92Å; W66-V68 PolarHBondContact O-N 3.11Å; V68-E70 VanDerWaalsContact C-N 3.34Å; V68-E70 PolarHBondContact O-N 3.29Å
69E65.4Low63Low175 Ų175111.6 Ų111.682%0.81854%0.54SS*.  trans-7095.7177.8-169.2166.9-144.100109.4R67 R71R67-E69 PolarHBondContact O-N 2.88Å; E69-R71 PolarHBondContact O-N 2.84Å
70E51Low60.3Low95 Ų95115.7 Ų115.744%0.44456%0.561SS.*  trans-52.4126.6174.5-175.9179.4-153.400109.4V68 R72V68-E70 VanDerWaalsContact C-N 3.34Å; V68-E70 PolarHBondContact O-N 3.29Å; E70-R72 HydrophobicContact CB-CG 4.41Å; E70-R72 HydrophobicContact CG-CG 3.96Å; E70-R72 PolarHBondContact O-N 2.76Å; E70-R72 IonicContact OE1-NH2 3.1Å; E70-R72 IonicContact OE2-CZ 2.68Å; E70-R72 IonicContact OE2-NE 2.71Å; E70-R72 PolarHBondContact OE2-NE 3.23Å; E70-R72 IonicContact OE2-NH2 2.66Å; E70-R72 PolarHBondContact OE2-NH2 3.43Å
71R39Very low57.4Low253 Ų253122.7 Ų122.796%0.95560%0.595SS**  trans-71.355.5174.7-74.7-175.5173157.1-1.6111.7E69 G73E69-R71 PolarHBondContact O-N 2.84Å; R71-G73 PolarHBondContact O-N 2.84Å
72R36.2Very low54.5Low180 Ų180127.5 Ų127.568%0.67963%0.629SS**  trans-57.4121.4159.9-63.7-167.6-174.3-135.4-15.9106.7E70 K74E70-R72 HydrophobicContact CB-CG 4.41Å; E70-R72 HydrophobicContact CG-CG 3.96Å; E70-R72 PolarHBondContact O-N 2.76Å; E70-R72 IonicContact OE1-NH2 3.1Å; E70-R72 IonicContact OE2-CZ 2.68Å; E70-R72 IonicContact OE2-NE 2.71Å; E70-R72 PolarHBondContact OE2-NE 3.23Å; E70-R72 IonicContact OE2-NH2 2.66Å; E70-R72 PolarHBondContact OE2-NH2 3.43Å; R72-K74 PolarHBondContact O-N 3.35Å
73G35Very low51.6Low80 Ų80132.9 Ų132.983%0.82567%0.667SS**  trans-63.582.7163.100000108.9R71 S75R71-G73 PolarHBondContact O-N 2.84Å; G73-S75 VanDerWaalsContact C-N 3.26Å; G73-S75 PolarHBondContact O-N 3.14Å
74K32.7Very low48.6Very low177 Ų177136.9 Ų136.977%0.7768%0.678SS**  trans-6395.5168.1-90.1179.8175.7167.30106.8R72 R76R72-K74 PolarHBondContact O-N 3.35Å; K74-R76 VanDerWaalsContact C-N 3.34Å; K74-R76 PolarHBondContact O-N 3.19Å
75S30.8Very low45.4Very low118 Ų118141.2 Ų141.283%0.82569%0.692SS**  trans-48104.8159.1-176.50000106.8G73G73-S75 VanDerWaalsContact C-N 3.26Å; G73-S75 PolarHBondContact O-N 3.14Å
76R34.3Very low42.4Very low220 Ų220151 Ų15183%0.8374%0.735SS**  trans-99.4116.4-173.8-176.8176.3-174.8166.42.8106.9K74 K78K74-R76 VanDerWaalsContact C-N 3.34Å; K74-R76 PolarHBondContact O-N 3.19Å; R76-K78 PolarHBondContact O-N 3.15Å
77D31.7Very low39.3Very low160 Ų160152.1 Ų152.186%0.85675%0.753SS**  trans-55.7102.7178.7-84.1-56.1000111.6
78K33.8Very low36.6Very low185 Ų185156.3 Ų156.380%0.80478%0.777SS**  trans-133.8128.1143-68.3-168.9172.4-166.80104R76R76-K78 PolarHBondContact O-N 3.15Å
79G28.4Very low34Very low67 Ų67157.9 Ų157.969%0.69179%0.791SS**  cis90.4923400000107.1
80E28.9Very low32.4Very low195 Ų195155.7 Ų155.791%0.91179%0.792SS**  trans57.874.8166.5-57.7179.8152.400116.8
81E28.4Very low31.5Very low199 Ų199161 Ų16193%0.9381%0.808SS**  trans-171.699.4132.5-108.5177.3179.400112.2
82S28.4Very low31.2Very low122 Ų122159 Ų15985%0.85381%0.806SS**  trans-123.555.9169.2-169.90000109.8
83S31.1Very low31Very low116 Ų116158.5 Ų158.581%0.81181%0.811SS**  trans-138.328.2179.8-69.90000112.6
84Y30.3Very low31.1Very low190 Ų190160 Ų16075%0.74581%0.808SS**SBendtrans-132.6163.9167.4-132.9-113000109.5
85W26.7Very low31.1Very low203 Ų203156.7 Ų156.777%0.76981%0.805SS**  trans66.927.6-178.4-49.4114.3000117.7S87W85-S87 VanDerWaalsContact C-N 3.3Å
86K28.8Very low31.1Very low207 Ų207161.9 Ų161.990%0.981%0.807SS**SBendtrans-95.740.2153.1-157.2-176.8178.81790112.1
87S29.6Very low31.1Very low96 Ų96158.3 Ų158.367%0.67180%0.804SS**  trans-165109.1173.6-83.10000111.6W85W85-S87 VanDerWaalsContact C-N 3.3Å
88Q31.4Very low31Very low181 Ų181155.6 Ų155.685%0.84680%0.797SS**  trans170.884.2134.3-93.9178.612.500109.8
89S32.2Very low31.3Very low96 Ų96156.8 Ų156.867%0.67180%0.798SS**  trans-83.7133.7156175.70000107.8R91S89-R91 PolarHBondContact O-N 2.93Å
90P32.2Very low31.6Very low129 Ų129159.4 Ų159.484%0.83880%0.801SS**  trans-70.264177-21.434.9000114K92P90-K92 PolarHBondContact O-N 3.49Å
91R32.3Very low31.9Very low207 Ų207159.5 Ų159.578%0.78180%0.799SS**  trans-77.1105.3167.9-80.1-167.6170.9-165.4-3109.7S89 H93S89-R91 PolarHBondContact O-N 2.93Å; R91-H93 PolarHBondContact O-N 2.85Å; R91-H93 VanDerWaalsContact O-N 3.09Å
92K32.3Very low32.2Very low211 Ų211156 Ų15692%0.91779%0.793SS**  trans-56.8109.6165.5-65.4-178.7178.4-177.60109.2P90P90-K92 PolarHBondContact O-N 3.49Å
93H31.3Very low32.3Very low170 Ų170156.8 Ų156.879%0.78779%0.793SS**  trans-96.8111.5160.7-97.9-79.2000108.4R91R91-H93 PolarHBondContact O-N 2.85Å; R91-H93 VanDerWaalsContact O-N 3.09Å
94S36.7Very low32.6Very low110 Ų110156.4 Ų156.477%0.76979%0.79SS**  trans-75.8129.4159.1-166.10000107.9
95P33.7Very low32.8Very low108 Ų108159.1 Ų159.170%0.70180%0.799SS**  trans-78.7160.2170.933.5-33.8000110.7
96R30.6Very low33Very low227 Ų227158 Ų15886%0.85780%0.803SS**  trans64.499.8162.5-162.3-177.7-159.1169.14.9116.4
97D34.9Very low33.5Very low146 Ų146159.4 Ų159.478%0.78180%0.802SS**  -149.1157.9109-109.2-25.9000111.7
98S29Very low33.7Very low102 Ų102161.2 Ų161.271%0.71380%0.804SS**  trans-12997.2-167.1-66.80000112.6
99Y39.4Very low34.1Very low210 Ų210158.1 Ų158.182%0.82480%0.798SS**  trans-127.897.8169.7-82.2-76.1000112.9
100T35.6Very low34.2Very low122 Ų122162 Ų16275%0.74881%0.805SS**  trans14.3116.4141.751.70000118.5
101K34.6Very low34.4Very low198 Ų198161.2 Ų161.286%0.86180%0.8SS**  trans-77.5131.6149.8-69.7-177.9177.6-179.30109.1
102P36Very low34.3Very low125 Ų125157 Ų15781%0.81280%0.802SS**  trans-82.2131.7174.331.5-32.5000111.6
103T30Very low34.2Very low139 Ų139152.3 Ų152.385%0.85380%0.796SS**  trans-118.9100.7169.350.20000110.1
104S36.4Very low34.4Very low108 Ų108149.8 Ų149.876%0.75580%0.797SS**  trans-164.7102.2157.960.30000112.1
105R35.4Very low34.2Very low247 Ų247150.7 Ų150.793%0.93279%0.793SS**  -170100.2124-108.9173.9175.1136.32.9109.6
106E31.7Very low34.5Very low180 Ų180151.1 Ų151.184%0.84179%0.786SS**  trans-59.6145.1158.2-70.5144.6121.500109.8
107R39.2Very low34.8Very low235 Ų235149 Ų14989%0.88778%0.778SS**  trans-145.1130.8139-159.6179.7-61.8-1792.3107.3
108D33.9Very low34.9Very low134 Ų134152 Ų15272%0.71778%0.778SS**  trans-60.5166.9179-47.9-94.6000110.5
109V38Very low35.4Very low116 Ų116153 Ų15370%0.70378%0.78SS**  -163.113652.7171.40000112
110H35Very low35.6Very low178 Ų178148.5 Ų148.582%0.82477%0.77SS**  trans50.3146157.1-60.6-37.1000124.8
111P37.2Very low35.9Very low112 Ų112150 Ų15073%0.72777%0.766SS**  trans-118.4164.9166.741.5-31.7000116.2
112S29.4Very low36Very low118 Ų118148.3 Ų148.383%0.82576%0.759SS**  trans87.6138.9148.180.50000123.5
113S30.6Very low35.9Very low114 Ų114152.2 Ų152.280%0.79776%0.757SS**  trans76.591.7142.2-162.90000123.3
114S35.4Very low36.1Very low116 Ų116150.4 Ų150.481%0.81175%0.75SS**  trans-177.1136.3134.446.80000107.4
115D32.6Very low35.8Very low129 Ų129153.8 Ų153.869%0.6975%0.754SS**  cis78.882.222.4-167.218.6000117.2
116Q39.5Very low35.8Very low117 Ų117149.9 Ų149.955%0.54775%0.75SS.*  -173.9136.9117.1-127.4100.8102.300114.7
117R36.4Very low35.9Very low183 Ų183147.9 Ų147.969%0.69174%0.744SS**  trans44.9143.9136.7-67.3167.3-152.9165.610.8120.3
118R37.3Very low35.7Very low209 Ų209144.6 Ų144.679%0.78974%0.744SS**  cis-161.11683.1-97.3158.4178.5172-2.2105.8
119V40.5Very low35.5Very low124 Ų124147.9 Ų147.975%0.75275%0.747SS**  -164.8132.456.9166.20000109.7
120D43.4Very low35.3Very low115 Ų115148.8 Ų148.862%0.61574%0.743SS**  trans31.1151.4143.7-67.221.8000123.3
121K41.9Very low35.1Very low153 Ų153146.9 Ų146.967%0.66574%0.739SS**  cis-162.5124.425.8-137.2159-161.297.20114.8
122K37.3Very low35Very low162 Ų162151.2 Ų151.270%0.70475%0.749SS**  trans61.3150.3142.3-67-176.3-175.7-1800119.6
123R33.1Very low35.2Very low207 Ų207150.4 Ų150.478%0.78174%0.743SS**  cis-156.3116.5-2.8-116.2179.6167.5165.2-7.7106.5
124S33.1Very low35.5Very low101 Ų101151.8 Ų151.871%0.70674%0.74SS**  86.6112.980.574.10000116
125H31.2Very low35.5Very low179 Ų179156 Ų15683%0.82974%0.744SS**  trans-61.5153.6159.2-89.3-106.4000112.2
126I35.4Very low35.6Very low165 Ų165159.1 Ų159.185%0.84675%0.752SS**  trans-136.8146.1144.1-70-170.2000108.2
127L33.1Very low35.7Very low138 Ų138158.7 Ų158.772%0.72376%0.761SS**  trans-88.9149.3176.5-60.6161.3000110.7
128N34.6Very low36.1Very low167 Ų167156.1 Ų156.189%0.89377%0.769SS**  179.1170.1116.8-90.9-12.9000112.9
129R31.1Very low35.9Very low203 Ų203153.8 Ų153.877%0.76677%0.766SS**  trans-129.3154-170.2159.5180164.8-170.1-9.9109.5
130E32.3Very low35.8Very low134 Ų134159.2 Ų159.263%0.62677%0.773SS**  trans78.5128.8167.8-83.5149.9-171.500120.5
131D32.1Very low35.3Very low138 Ų138158.9 Ų158.974%0.73877%0.771SS**  trans52.1111.5145.7-64.82000122.9
132H33.9Very low34.7Very low204 Ų204162.5 Ų162.594%0.94478%0.781SS**  -139.3143.3121.1-92.911.6000109.6
133S33.7Very low34.7Very low100 Ų100166.5 Ų166.570%0.69979%0.792SS**  trans-139.5166.7-171.7700000113.9
134I36.8Very low34.6Very low143 Ų143168.3 Ų168.373%0.73380%0.798SS**  trans73.4108.4165.5-54.9165.6000117.8K136I134-K136 HydrophobicContact CG2-CG 4.49Å
135K36.4Very low34.8Very low206 Ų206170 Ų17090%0.89680%0.804SS**  -121.897.9129.4-73.3-177.5179.7176.30107.7
136K34.9Very low35Very low193 Ų193167.2 Ų167.284%0.83980%0.802SS**  60.5100.7110.9-75-170.6172.9-176.60115.9I134I134-K136 HydrophobicContact CG2-CG 4.49Å
137S42.3Very low34.9Very low108 Ų108165.5 Ų165.576%0.75580%0.799SS**  trans-86.2172.4149.854.40000111.1
138P44.4Very low34.6Very low130 Ų130165.9 Ų165.984%0.84480%0.802SS**  trans-125.2170.9144.934.9-23.4000112.6
139H33.2Very low34.5Very low159 Ų159162.7 Ų162.774%0.73679%0.793SS**  trans-145.4144.2-158.9-178.2-73000112.3D141H139-D141 IonicContact CE1-OD2 3.84Å; H139-D141 IonicContact ND1-OD2 3.64Å
140R36.7Very low34.4Very low239 Ų239159 Ų15990%0.90279%0.793SS**  trans168.7153.2159.1-100.5174.3173.8-168.2-1.2109.8
141D33.1Very low34.4Very low107 Ų107159 Ų15957%0.57280%0.802SS**  cis-171.5145.5-36.4-118.9-62.6000109.3H139H139-D141 IonicContact CE1-OD2 3.84Å; H139-D141 IonicContact ND1-OD2 3.64Å
142R30.6Very low34.3Very low230 Ų230155.5 Ų155.587%0.86879%0.793SS**  trans46.3106.6157.4-65.6174.1171.9179.6-3.6121.5
143R36.3Very low34.2Very low245 Ų245157 Ų15793%0.92579%0.79SS**  -150.5115.7122-84.9178.3-161.3-116.40.1106.4
144R30.8Very low34Very low245 Ų245161 Ų16193%0.92580%0.797SS**  58.680.883.7-82.4-161.3177.1-164.21.3115.6
145T38.1Very low33.6Very low136 Ų136159.5 Ų159.583%0.83480%0.799SS**  -167.1154.8122.624.80000109.7
146P35.3Very low33.4Very low121 Ų121154.2 Ų154.279%0.78679%0.788SS**  trans-97.7131.7173.335.3-28.4000111.7
147V33.6Very low33.2Very low129 Ų129150.5 Ų150.578%0.78278%0.784SS**  trans-143.7142.7165.9-179.20000108.8
148D27.5Very low32.7Very low146 Ų146151.3 Ų151.378%0.78179%0.785SS**  trans-59.1133-174.5-58.1-88.8000114.4
149S31.9Very low32Very low101 Ų101150 Ų15071%0.70677%0.774SS**  trans-145.466.616043.90000109.3T151S149-T151 PolarHBondContact O-N 3.05Å
150V29.1Very low31.8Very low125 Ų125148.7 Ų148.776%0.75877%0.772SS**  trans-64.184.7171.8-179.30000108.7A152V150-A152 HydrophobicContact CG1-CB 4.04Å; V150-A152 PolarHBondContact O-N 2.83Å
151T31.9Very low31.4Very low133 Ų133145 Ų14582%0.81677%0.77SS**  trans-75.563.5166.438.80000108.8S149 R153S149-T151 PolarHBondContact O-N 3.05Å; T151-R153 PolarHBondContact O-N 2.98Å
152A29.4Very low31.2Very low66 Ų66149.4 Ų149.455%0.54578%0.78SS.*  trans-56105.816800000107.8V150 H154V150-A152 HydrophobicContact CG1-CB 4.04Å; V150-A152 PolarHBondContact O-N 2.83Å; A152-H154 PolarHBondContact O-N 3.49Å; A152-H154 VanDerWaalsContact O-N 3.11Å
153R32.8Very low31.1Very low236 Ų236142.1 Ų142.189%0.89176%0.763SS**  trans-56121164.6-64.1-179.9-177.9-177.40.3105.6T151 S155T151-R153 PolarHBondContact O-N 2.98Å; R153-S155 PolarHBondContact O-N 2.91Å
154H30.1Very low31.1Very low184 Ų184135.4 Ų135.485%0.85274%0.738SS**  trans-64.384.7-178.3-71-86.1000110.5A152 S156A152-H154 PolarHBondContact O-N 3.49Å; A152-H154 VanDerWaalsContact O-N 3.11Å; H154-S156 PolarHBondContact O-N 2.87Å
155S27.9Very low31.4Very low111 Ų111128.7 Ų128.778%0.77672%0.724SS**  trans-56.1116.4155.345.10000106.6R153R153-S155 PolarHBondContact O-N 2.91Å
156S31.6Very low31.4Very low95 Ų95127.3 Ų127.366%0.66472%0.717SS**  trans-51.3138178.1-48.60000109.6H154 T158H154-S156 PolarHBondContact O-N 2.87Å; S156-T158 VanDerWaalsContact C-N 3.35Å; S156-T158 PolarHBondContact O-N 3.43Å
157P31.4Very low32.1Very low115 Ų115124.8 Ų124.875%0.74770%0.697SS**  trans-68.791.3-175.327.3-34.4000110.8T159P157-T159 PolarHBondContact O-N 2.96Å
158T32.2Very low33.1Very low125 Ų125123.1 Ų123.177%0.76768%0.683SS**  trans-74.159.7164.4500000109.9S156S156-T158 VanDerWaalsContact C-N 3.35Å; S156-T158 PolarHBondContact O-N 3.43Å
159T29.5Very low34.3Very low102 Ų102118.2 Ų118.263%0.62666%0.659SS**  trans-84.6149.1171-46.90000108.4P157P157-T159 PolarHBondContact O-N 2.96Å
160D28.6Very low35.8Very low131 Ų131120.3 Ų120.370%0.70166%0.656SS**SBendtrans63.635.8171.2-65.10.7000119
161L28.5Very low38Very low161 Ų161116.9 Ų116.984%0.84363%0.629SS**  trans-992.2156.5-79.4178.1000114.5C163L161-C163 PolarHBondContact O-N 3.06Å
162Y27.6Very low40.6Very low201 Ų201114.6 Ų114.679%0.78861%0.61SS**SBendtrans-74.5123.5173.6-78.8-83.4000111.7R164Y162-R164 PolarHBondContact O-N 2.77Å; Y162-R164 VanDerWaalsContact O-N 3.17Å
163C29.8Very low43.5Very low77 Ų77111.7 Ų111.752%0.5259%0.586SS.*  trans49.941.9161-58.20000117.9L161 T165 S670L161-C163 PolarHBondContact O-N 3.06Å; C163-T165 PolarHBondContact O-N 3.32Å; C163-S670 WeakPolarHBondContact CB-OG 3.48Å
164R34.9Very low46.1Very low104 Ų104103.4 Ų103.439%0.39256%0.559SS.*  trans-72102.8142-68.1-167.1-166.3-150.85.1107.5Y162 P166 T767 Y769Y162-R164 PolarHBondContact O-N 2.77Å; Y162-R164 VanDerWaalsContact O-N 3.17Å; R164-P166 WeakPolarHBondContact O-CD 3.34Å; R164-P166 VanDerWaalsContact O-N 3.08Å; R164-T767 PolarHBondContact NH1-O 2.86Å; R164-Y769 PolarHBondContact NH2-OH 3.08Å
165T37.5Very low49Very low103 Ų10396.6 Ų96.663%0.63253%0.53SS*.  trans-56.4112.6157.2-20.20000105.9C163 I167C163-T165 PolarHBondContact O-N 3.32Å; T165-I167 PolarHBondContact O-N 3.05Å; T165-I167 VanDerWaalsContact O-N 3.08Å
166P39Very low52Low107 Ų10798.3 Ų98.370%0.69552%0.524SS*.  trans-66.1118.7-176.726.3-32.1000107.2R164 N168R164-P166 WeakPolarHBondContact O-CD 3.34Å; R164-P166 VanDerWaalsContact O-N 3.08Å; P166-N168 VanDerWaalsContact C-N 3.29Å; P166-N168 WeakPolarHBondContact O-CA 3.41Å; P166-N168 PolarHBondContact O-N 3.48Å
167I50.4Low54.9Low68 Ų6896.4 Ų96.435%0.34951%0.505SS..  trans-62.597.6178.2-54175.7000106.2T165 P169 R694T165-I167 PolarHBondContact O-N 3.05Å; T165-I167 VanDerWaalsContact O-N 3.08Å; I167-P169 WeakPolarHBondContact O-CD 3.12Å; I167-R694 PolarHBondContact O-NH1 3.49Å
168N54Low57.8Low94 Ų9491.8 Ų91.850%0.50347%0.472SS..  trans-50.7112-159.2-177.9-10.4000109.4P166 K170 R171P166-N168 VanDerWaalsContact C-N 3.29Å; P166-N168 WeakPolarHBondContact O-CA 3.41Å; P166-N168 PolarHBondContact O-N 3.48Å; N168-K170 PolarHBondContact O-N 2.99Å; N168-K170 PolarHBondContact OD1-N 3.21Å; N168-R171 HydrophobicContact CB-CB 4.42Å; N168-R171 WeakPolarHBondContact O-CB 3.43Å; N168-R171 PolarHBondContact O-N 2.95Å
169P52.8Low60.6Low43 Ų4390.1 Ų90.128%0.27946%0.458SS..THydrogen-bonded Turntrans-63.3-18.6-167.724.1-33.9000112.6I167 F781I167-P169 WeakPolarHBondContact O-CD 3.12Å; P169-F781 HydrophobicContact CB-CD1 4.41Å; P169-F781 HydrophobicContact CB-CE1 4.26Å
170K62.6Low63.2Low145 Ų14588.4 Ų88.463%0.6344%0.442SS*.THydrogen-bonded Turntrans-88.9-2.9179-61.9178.9176.7179.10114.1N168 M172 D780N168-K170 PolarHBondContact O-N 2.99Å; N168-K170 PolarHBondContact OD1-N 3.21Å; K170-M172 PolarHBondContact O-N 3.01Å; K170-D780 VanDerWaalsContact CE-CG 3.44Å; K170-D780 WeakPolarHBondContact CE-OD1 3.45Å; K170-D780 WeakPolarHBondContact CE-OD2 3.39Å; K170-D780 HydrophobicContact CG-CB 4.47Å; K170-D780 IonicContact NZ-OD2 3.98Å
171R76.7Confident65.8Low53 Ų5385.5 Ų85.520%0.243%0.432CS..SBendtrans-83.8115.6176.2-175.9-14355.9-170.8-17.6109.4N168 L173 D691N168-R171 HydrophobicContact CB-CB 4.42Å; N168-R171 WeakPolarHBondContact O-CB 3.43Å; N168-R171 PolarHBondContact O-N 2.95Å; R171-L173 VanDerWaalsContact NH2-CD2 3.3Å; R171-D691 IonicContact CZ-OD1 2.71Å; R171-D691 IonicContact CZ-OD2 2.66Å; R171-D691 VanDerWaalsContact NH1-CG 3.32Å; R171-D691 IonicContact NH1-OD1 3.19Å; R171-D691 PolarHBondContact NH1-OD1 3.25Å; R171-D691 IonicContact NH1-OD2 3.61Å; R171-D691 PolarHBondContact NH1-OD2 3.47Å; R171-D691 IonicContact NH2-OD1 2.73Å; R171-D691 PolarHBondContact NH2-OD1 3.2Å; R171-D691 IonicContact NH2-OD2 3.4Å; R171-D691 PolarHBondContact NH2-OD2 3.05Å
172M85.9Confident68.6Low85 Ų8580.2 Ų80.242%0.41941%0.405SS..  trans-55.7147.9178.7-54.9-173.577.700112.7K170 V175 S784 G786K170-M172 PolarHBondContact O-N 3.01Å; M172-V175 HydrophobicContact CB-CG2 4.06Å; M172-S784 CarbonylContact C-O 3.56Å; M172-S784 WeakPolarHBondContact CA-O 3.19Å; M172-G786 VanDerWaalsContact CE-CA 3.42Å
173L88.9Confident71.5Confident5 Ų570.6 Ų70.63%0.02637%0.367CS..SBendtrans-107.3-11.2-174.4-55.5177.8000112.6R171 Q204 D691 R694 R695 S784R171-L173 VanDerWaalsContact NH2-CD2 3.3Å; L173-Q204 PolarHBondContact O-NE2 2.84Å; L173-Q204 VanDerWaalsContact O-NE2 3.13Å; L173-D691 HydrophobicContact CD2-CB 4.28Å; L173-R694 HydrophobicContact CD1-CB 4.5Å; L173-R694 HydrophobicContact CD1-CG 4.24Å; L173-R695 HydrophobicContact CB-CB 4.2Å; L173-R695 HydrophobicContact CB-CG 4.37Å; L173-R695 HydrophobicContact CD1-CB 3.94Å; L173-S784 WeakPolarHBondContact CB-O 3.35Å; L173-S784 PolarHBondContact N-O 3.31Å
174N88.2Confident74Confident62 Ų6270.8 Ų70.833%0.33236%0.36SS..  trans-92.916.8174.570.6-21.1000113.8K176 Q204 L785 G786N174-K176 PolarHBondContact O-N 3.31Å; N174-K176 VanDerWaalsContact O-N 3.09Å; N174-Q204 PolarHBondContact O-OE1 3.41Å; N174-L785 WeakPolarHBondContact CB-O 3.37Å; N174-L785 PolarHBondContact ND2-O 2.76Å; N174-G786 WeakPolarHBondContact ND2-CA 3.35Å; N174-G786 PolarHBondContact ND2-O 3.31Å
175V90.1Very high76.3Confident41 Ų4174.3 Ų74.325%0.24837%0.374CS..  trans-67108.4178.11780000109.1M172 E177 Y178 C201 Q204M172-V175 HydrophobicContact CB-CG2 4.06Å; V175-E177 WeakPolarHBondContact CG1-O 3.47Å; V175-Y178 HydrophobicContact CB-CE2 3.95Å; V175-Y178 HydrophobicContact CG1-CD1 4.43Å; V175-Y178 HydrophobicContact CG1-CD2 3.85Å; V175-Y178 HydrophobicContact CG1-CE1 4.18Å; V175-Y178 HydrophobicContact CG1-CE2 3.55Å; V175-Y178 HydrophobicContact CG1-CG 4.27Å; V175-C201 WeakPolarHBondContact O-CB 3.26Å; V175-Q204 PolarHBondContact O-NE2 3Å
176K91.5Very high78.4Confident147 Ų14771 Ų7164%0.63935%0.349SS*.  trans-75.1-30.3-178.1-67.5-171.1177.3-1710113.6N174 C201N174-K176 PolarHBondContact O-N 3.31Å; N174-K176 VanDerWaalsContact O-N 3.09Å; K176-C201 PolarHBondContact O-N 3.06Å
177E93.3Very high80.4Confident56 Ų5666.9 Ų66.926%0.26232%0.321SS..EExtended strand (participates in β ladder)trans-141.8145.5178.7-59-168.7159.200111.2V175 R198 V199 R200V175-E177 WeakPolarHBondContact CG1-O 3.47Å; E177-R198 IonicContact OE1-CZ 3.38Å; E177-R198 IonicContact OE1-NE 3.14Å; E177-R198 PolarHBondContact OE1-NE 2.95Å; E177-R198 IonicContact OE1-NH2 3.59Å; E177-R198 IonicContact OE2-CZ 3.55Å; E177-R198 IonicContact OE2-NE 2.74Å; E177-R198 PolarHBondContact OE2-NE 2.59Å; E177-R198 IonicContact OE2-NH2 3.47Å; E177-R198 PolarHBondContact OE2-NH2 3.06Å; E177-V199 CarbonylContact C-O 3.54Å; E177-V199 VanDerWaalsContact CA-O 3.31Å; E177-V199 WeakPolarHBondContact CA-O 3.27Å; E177-R200 HydrophobicContact CG-CG 4.27Å; E177-R200 IonicContact OE1-CZ 3.8Å; E177-R200 IonicContact OE1-NE 3.86Å; E177-R200 PolarHBondContact OE1-NE 3.01Å; E177-R200 IonicContact OE1-NH2 2.68Å; E177-R200 PolarHBondContact OE1-NH2 2.99Å
178Y92Very high81.8Confident18 Ų1868.5 Ų68.57%0.07134%0.335CS..EExtended strand (participates in β ladder)trans-114.6130.3171-70-103.8000109.1V175 D182 L183 R198 V199 F684V175-Y178 HydrophobicContact CB-CE2 3.95Å; V175-Y178 HydrophobicContact CG1-CD1 4.43Å; V175-Y178 HydrophobicContact CG1-CD2 3.85Å; V175-Y178 HydrophobicContact CG1-CE1 4.18Å; V175-Y178 HydrophobicContact CG1-CE2 3.55Å; V175-Y178 HydrophobicContact CG1-CG 4.27Å; Y178-D182 HydrophobicContact CD1-CB 3.82Å; Y178-D182 HydrophobicContact CG-CB 4.49Å; Y178-L183 HydrophobicContact CG-CD2 4.43Å; Y178-R198 WeakPolarHBondContact O-CA 3.21Å; Y178-V199 PolarHBondContact N-O 3.27Å; Y178-V199 PolarHBondContact O-N 2.6Å; Y178-F684 HydrophobicContact CD2-CZ 4.07Å; Y178-F684 HydrophobicContact CE2-CZ 4.47Å; Y178-F684 HydrophobicContact CG-CZ 4.15Å
179L90.6Very high83Confident90 Ų9071.1 Ų71.147%0.47135%0.35SS..EExtended strand (participates in β ladder)trans-94.8166.2169.3-60.7175.9000110.1S181 D182 L183 R198L179-S181 PolarHBondContact O-N 3.06Å; L179-S181 VanDerWaalsContact O-N 3.08Å; L179-D182 PolarHBondContact N-OD2 2.66Å; L179-D182 WeakPolarHBondContact O-CA 3.27Å; L179-D182 WeakPolarHBondContact O-CB 3.42Å; L179-D182 PolarHBondContact O-N 3.26Å; L179-L183 WeakPolarHBondContact O-CG 3.49Å; L179-L183 PolarHBondContact O-N 3.49Å; L179-R198 HydrophobicContact CD2-CG 4.21Å
180F84.3Confident84.4Confident66 Ų6669.7 Ų69.729%0.28934%0.34SS..Hα-helixtrans-47-42-178.2-176.2-98.6000114.5D182 L183 Q184 P192 L196 Y197F180-D182 VanDerWaalsContact C-N 3.26Å; F180-D182 PolarHBondContact O-N 2.85Å; F180-L183 WeakPolarHBondContact O-CB 3.4Å; F180-L183 PolarHBondContact O-N 2.83Å; F180-Q184 VanDerWaalsContact CE1-CD 3.49Å; F180-Q184 HydrophobicContact CE1-CG 4.16Å; F180-Q184 VanDerWaalsContact CE1-NE2 3.28Å; F180-Q184 HydrophobicContact CZ-CG 4.34Å; F180-Q184 PolarHBondContact O-N 2.83Å; F180-Q184 VanDerWaalsContact O-N 3.07Å; F180-P192 HydrophobicContact CD2-CG 4.04Å; F180-P192 HydrophobicContact CE2-CB 4.5Å; F180-P192 HydrophobicContact CE2-CG 3.72Å; F180-P192 HydrophobicContact CZ-CG 4.37Å; F180-L196 WeakPolarHBondContact CD2-O 3.25Å; F180-Y197 PolarHBondContact N-O 3.31Å
181S83.8Confident85.3Confident69 Ų6966.2 Ų66.248%0.48333%0.328SS..Hα-helixtrans-65.5-24.7176.4-52.10000114L179 R185L179-S181 PolarHBondContact O-N 3.06Å; L179-S181 VanDerWaalsContact O-N 3.08Å; S181-R185 VanDerWaalsContact O-CG 3.26Å; S181-R185 WeakPolarHBondContact O-CG 3.43Å; S181-R185 PolarHBondContact O-N 3.38Å; S181-R185 PolarHBondContact O-NE 2.83Å
182D87.7Confident85.7Confident50 Ų5063.8 Ų63.827%0.26732%0.319SS..Hα-helixtrans-84.7-35.7175-50.5-52.1000111.3Y178 L179 F180 R185 R186Y178-D182 HydrophobicContact CD1-CB 3.82Å; Y178-D182 HydrophobicContact CG-CB 4.49Å; L179-D182 PolarHBondContact N-OD2 2.66Å; L179-D182 WeakPolarHBondContact O-CA 3.27Å; L179-D182 WeakPolarHBondContact O-CB 3.42Å; L179-D182 PolarHBondContact O-N 3.26Å; F180-D182 VanDerWaalsContact C-N 3.26Å; F180-D182 PolarHBondContact O-N 2.85Å; D182-R185 CarbonylContact O-C 3.54Å; D182-R185 PolarHBondContact O-N 3.22Å; D182-R185 IonicContact OD1-CZ 2.69Å; D182-R185 IonicContact OD1-NE 3.76Å; D182-R185 IonicContact OD1-NH2 3.24Å; D182-R185 PolarHBondContact OD1-NH2 3.46Å; D182-R186 WeakPolarHBondContact O-CB 3.39Å; D182-R186 PolarHBondContact O-N 2.96Å
183L86.9Confident85.6Confident0 Ų060.4 Ų60.40%030%0.303CS..Hα-helixtrans-58.3-48.8173.1-59.7-177.1000111.1Y178 L179 F180 R185 R186 F187 P192 L196 V199 Y680 F684Y178-L183 HydrophobicContact CG-CD2 4.43Å; L179-L183 WeakPolarHBondContact O-CG 3.49Å; L179-L183 PolarHBondContact O-N 3.49Å; F180-L183 WeakPolarHBondContact O-CB 3.4Å; F180-L183 PolarHBondContact O-N 2.83Å; L183-R185 VanDerWaalsContact C-N 3.33Å; L183-R185 PolarHBondContact O-N 3.45Å; L183-R186 PolarHBondContact O-N 2.95Å; L183-F187 PolarHBondContact O-N 3.18Å; L183-P192 HydrophobicContact CB-CB 4.04Å; L183-P192 HydrophobicContact CB-CG 3.94Å; L183-P192 HydrophobicContact CD1-CB 4.12Å; L183-L196 HydrophobicContact CD1-CD2 3.75Å; L183-L196 HydrophobicContact CD1-CG 3.72Å; L183-V199 HydrophobicContact CD1-CG2 4.22Å; L183-V199 HydrophobicContact CD2-CB 4.44Å; L183-V199 HydrophobicContact CD2-CG2 3.86Å; L183-Y680 PolarHBondContact O-OH 3.24Å; L183-F684 HydrophobicContact CD2-CD2 4.24Å; L183-F684 HydrophobicContact CD2-CE2 3.36Å; L183-F684 HydrophobicContact CD2-CZ 3.9Å
184Q83Confident85.3Confident81 Ų8163.8 Ų63.838%0.37932%0.324SS..Hα-helixtrans-61.6-37.6174.6-71.2-172.3-31.400112.7F180 F187 P188 P192F180-Q184 VanDerWaalsContact CE1-CD 3.49Å; F180-Q184 HydrophobicContact CE1-CG 4.16Å; F180-Q184 VanDerWaalsContact CE1-NE2 3.28Å; F180-Q184 HydrophobicContact CZ-CG 4.34Å; F180-Q184 PolarHBondContact O-N 2.83Å; F180-Q184 VanDerWaalsContact O-N 3.07Å; Q184-F187 CarbonylContact O-C 3.51Å; Q184-P188 WeakPolarHBondContact O-CA 3.49Å; Q184-P192 HydrophobicContact CG-CG 3.94Å
185R84.2Confident85.1Confident178 Ų17861.4 Ų61.467%0.67231%0.311SS*.Hα-helixtrans-74.9-27.2177.9-74.7-177.8-69.1-156.74.5113.6S181 D182 L183S181-R185 VanDerWaalsContact O-CG 3.26Å; S181-R185 WeakPolarHBondContact O-CG 3.43Å; S181-R185 PolarHBondContact O-N 3.38Å; S181-R185 PolarHBondContact O-NE 2.83Å; D182-R185 CarbonylContact O-C 3.54Å; D182-R185 PolarHBondContact O-N 3.22Å; D182-R185 IonicContact OD1-CZ 2.69Å; D182-R185 IonicContact OD1-NE 3.76Å; D182-R185 IonicContact OD1-NH2 3.24Å; D182-R185 PolarHBondContact OD1-NH2 3.46Å; L183-R185 VanDerWaalsContact C-N 3.33Å; L183-R185 PolarHBondContact O-N 3.45Å
186R80.7Confident85Confident32 Ų3259.4 Ų59.412%0.12130%0.299CS..Hα-helixtrans-73.7-37.1176.9-167.9177.4178.3-171.9-2.8111.7D182 L183 T688 D691D182-R186 WeakPolarHBondContact O-CB 3.39Å; D182-R186 PolarHBondContact O-N 2.96Å; L183-R186 PolarHBondContact O-N 2.95Å; R186-T688 PolarHBondContact NH1-OG1 2.91Å; R186-T688 PolarHBondContact NH2-OG1 3.42Å; R186-D691 IonicContact CZ-OD2 3.99Å; R186-D691 IonicContact NE-OD2 2.78Å; R186-D691 IonicContact NH2-OD2 3.76Å; R186-D691 PolarHBondContact NH2-OD2 3.33Å
187F81.5Confident84.9Confident22 Ų2255.7 Ų55.710%0.09628%0.282CS..  trans-132.571.5-178.1-59.3-68.7000111.8L183 Q184 N189 V190 Y680 M683 F684 H687L183-F187 PolarHBondContact O-N 3.18Å; Q184-F187 CarbonylContact O-C 3.51Å; F187-N189 PolarHBondContact O-N 2.86Å; F187-V190 HydrophobicContact CB-CB 4.38Å; F187-V190 CarbonylContact O-C 3.48Å; F187-V190 PolarHBondContact O-N 3.39Å; F187-Y680 HydrophobicContact CB-CE2 4.5Å; F187-Y680 HydrophobicContact CD2-CE2 4.29Å; F187-M683 HydrophobicContact CB-CE 4.42Å; F187-M683 HydrophobicContact CD1-CE 4.16Å; F187-M683 HydrophobicContact CD1-SD 3.71Å; F187-M683 HydrophobicContact CD2-CE 3.92Å; F187-M683 HydrophobicContact CD2-SD 4.08Å; F187-M683 HydrophobicContact CE1-CE 4.43Å; F187-M683 HydrophobicContact CE1-SD 3.47Å; F187-M683 WeakPolarHBondContact CE1-SD 3.38Å; F187-M683 HydrophobicContact CE2-CE 4.19Å; F187-M683 HydrophobicContact CE2-SD 3.84Å; F187-M683 HydrophobicContact CG-CE 3.9Å; F187-M683 HydrophobicContact CG-SD 4.02Å; F187-M683 HydrophobicContact CZ-CE 4.45Å; F187-M683 HydrophobicContact CZ-SD 3.54Å; F187-M683 VanDerWaalsContact CZ-SD 3.54Å; F187-F684 HydrophobicContact CD2-CD2 4.26Å; F187-F684 HydrophobicContact CE2-CB 4.44Å; F187-F684 AromaticContact CE2-CD2 3.65Å; F187-F684 HydrophobicContact CE2-CD2 3.65Å; F187-F684 HydrophobicContact CE2-CE2 4.32Å; F187-F684 HydrophobicContact CE2-CG 4.31Å; F187-H687 HydrophobicContact CE1-CB 4.27Å; F187-H687 AromaticContact CE1-CD2 3.68Å; F187-H687 AromaticContact CE1-CE1 3.95Å; F187-H687 AromaticContact CE1-CG 3.67Å; F187-H687 AromaticContact CE1-ND1 3.85Å; F187-H687 AromaticContact CE1-NE2 3.88Å; F187-H687 HydrophobicContact CZ-CB 3.74Å; F187-H687 AromaticContact CZ-CD2 3.9Å; F187-H687 AromaticContact CZ-CG 3.67Å
188P79.7Confident84.8Confident101 Ų10156.8 Ų56.866%0.65628%0.283SS*.THydrogen-bonded Turntrans-64.1-13.1-174.126.8-36.5000114.8Q184Q184-P188 WeakPolarHBondContact O-CA 3.49Å
189N78.9Confident85Confident150 Ų15055.9 Ų55.980%0.80228%0.28SS*.THydrogen-bonded Turntrans-96.4-8.6177.1-63-2.9000113.4F187F187-N189 PolarHBondContact O-N 2.86Å
190V82.6Confident85.2Confident12 Ų1255.5 Ų55.57%0.07327%0.272CS..SBendtrans-134.9105.9-175.8-169.20000108.5F187 M675 Y680 M683F187-V190 HydrophobicContact CB-CB 4.38Å; F187-V190 CarbonylContact O-C 3.48Å; F187-V190 PolarHBondContact O-N 3.39Å; V190-M675 HydrophobicContact CG2-CB 4.3Å; V190-M675 HydrophobicContact CG2-SD 4.44Å; V190-Y680 HydrophobicContact CG1-CD2 3.96Å; V190-Y680 HydrophobicContact CG1-CE2 4.47Å; V190-M683 HydrophobicContact CB-CE 4.4Å; V190-M683 HydrophobicContact CG1-CE 4.29Å
191L80.2Confident85.7Confident72 Ų7252.7 Ų52.738%0.37726%0.26SS..PPolyproline II helixtrans-62.7134.3178.6-87.787.5000110.7
192P86.1Confident86.2Confident2 Ų250.4 Ų50.41%0.01324%0.243CC..PPolyproline II helixtrans-62153.4162.128.6-34.2000110.2F180 L183 Q184 L196 Y680F180-P192 HydrophobicContact CD2-CG 4.04Å; F180-P192 HydrophobicContact CE2-CB 4.5Å; F180-P192 HydrophobicContact CE2-CG 3.72Å; F180-P192 HydrophobicContact CZ-CG 4.37Å; L183-P192 HydrophobicContact CB-CB 4.04Å; L183-P192 HydrophobicContact CB-CG 3.94Å; L183-P192 HydrophobicContact CD1-CB 4.12Å; Q184-P192 HydrophobicContact CG-CG 3.94Å; P192-L196 HydrophobicContact CB-CD2 4.35Å; P192-Y680 HydrophobicContact CB-CE1 3.97Å; P192-Y680 HydrophobicContact CB-CE2 4.07Å
193P84.7Confident86.5Confident14 Ų1448.2 Ų48.29%0.09123%0.231CC..PPolyproline II helixtrans-52.2142.2168.5-25.434.8000111.8D195 L196 Y346P193-D195 WeakPolarHBondContact CB-OD1 3.37Å; P193-D195 PolarHBondContact O-N 2.86Å; P193-L196 HydrophobicContact CB-CB 4.14Å; P193-L196 HydrophobicContact CG-CB 4.5Å; P193-L196 WeakPolarHBondContact O-CB 3.44Å; P193-L196 PolarHBondContact O-N 3.22Å; P193-L196 VanDerWaalsContact O-N 3.09Å; P193-Y346 HydrophobicContact CB-CE1 4.11Å; P193-Y346 HydrophobicContact CG-CE1 4.25Å
194V81.1Confident86.7Confident77 Ų7749.6 Ų49.647%0.46724%0.237SC..THydrogen-bonded Turntrans-69.5-23.3-171.6-165.50000112.1
195D83.8Confident87Confident11 Ų1152.1 Ų52.16%0.05925%0.249CC..THydrogen-bonded Turntrans-84-15.2175.357.5-35000113.7P193 Y197 Y346 S347 R348P193-D195 WeakPolarHBondContact CB-OD1 3.37Å; P193-D195 PolarHBondContact O-N 2.86Å; D195-Y197 PolarHBondContact O-N 2.8Å; D195-Y346 HydrophobicContact CB-CD1 4.31Å; D195-Y346 CarbonylContact O-C 3.51Å; D195-Y346 VanDerWaalsContact O-CA 3.26Å; D195-Y346 WeakPolarHBondContact O-CA 3.33Å; D195-Y346 WeakPolarHBondContact OD2-CD1 3.25Å; D195-S347 PolarHBondContact O-N 2.86Å; D195-R348 IonicContact OD2-CZ 3.59Å; D195-R348 IonicContact OD2-NE 2.67Å; D195-R348 PolarHBondContact OD2-NE 3.4Å; D195-R348 IonicContact OD2-NH2 3.73Å; D195-R348 PolarHBondContact OD2-NH2 3.17Å
196L89.6Confident87.3Confident0 Ų045 Ų450%023%0.227CC..EExtended strand (participates in β ladder)trans-78.695.7-179.8-17956.6000111.7F180 L183 P192 P193 V199 F344 Y346 Y680F180-L196 WeakPolarHBondContact CD2-O 3.25Å; L183-L196 HydrophobicContact CD1-CD2 3.75Å; L183-L196 HydrophobicContact CD1-CG 3.72Å; P192-L196 HydrophobicContact CB-CD2 4.35Å; P193-L196 HydrophobicContact CB-CB 4.14Å; P193-L196 HydrophobicContact CG-CB 4.5Å; P193-L196 WeakPolarHBondContact O-CB 3.44Å; P193-L196 PolarHBondContact O-N 3.22Å; P193-L196 VanDerWaalsContact O-N 3.09Å; L196-V199 HydrophobicContact CD1-CG2 4.01Å; L196-V199 HydrophobicContact CD2-CG2 4.24Å; L196-V199 HydrophobicContact CG-CG2 4.38Å; L196-F344 HydrophobicContact CD1-CB 3.92Å; L196-F344 HydrophobicContact CD1-CD1 4.06Å; L196-F344 HydrophobicContact CD2-CD1 4.02Å; L196-Y346 HydrophobicContact CB-CD1 3.84Å; L196-Y346 HydrophobicContact CB-CE1 3.6Å; L196-Y346 HydrophobicContact CD1-CD1 4.18Å; L196-Y346 HydrophobicContact CD1-CE1 3.88Å; L196-Y346 HydrophobicContact CD1-CE2 4.27Å; L196-Y346 HydrophobicContact CD2-CE1 4.47Å; L196-Y346 HydrophobicContact CG-CE1 4.17Å; L196-Y680 HydrophobicContact CD2-CD1 4.01Å; L196-Y680 HydrophobicContact CD2-CE1 3.89Å
197Y88.8Confident87.9Confident69 Ų6944.1 Ų44.127%0.27122%0.224SC..EExtended strand (participates in β ladder)trans-91.6-24.6-174.670.9-87.6000114.3F180 D195 R345 H387F180-Y197 PolarHBondContact N-O 3.31Å; D195-Y197 PolarHBondContact O-N 2.8Å; Y197-R345 HydrophobicContact CD1-CB 4.34Å; Y197-R345 WeakPolarHBondContact CD1-O 3.34Å; Y197-R345 HydrophobicContact CE1-CB 3.64Å; Y197-R345 WeakPolarHBondContact CE1-O 3.28Å; Y197-R345 HydrophobicContact CE2-CB 4.26Å; Y197-R345 PolarHBondContact N-O 3.4Å; Y197-R345 VanDerWaalsContact N-O 3.11Å; Y197-H387 AromaticContact CE1-ND1 3.65Å; Y197-H387 AromaticContact CZ-ND1 3.88Å; Y197-H387 PolarHBondContact OH-ND1 2.84Å
198R91.9Very high88.4Confident78 Ų7845.8 Ų45.829%0.29424%0.237SC..EExtended strand (participates in β ladder)trans-152.2144.1-173.8-164.8-178-150.3147.10.6112.1E177 Y178 L179 R345E177-R198 IonicContact OE1-CZ 3.38Å; E177-R198 IonicContact OE1-NE 3.14Å; E177-R198 PolarHBondContact OE1-NE 2.95Å; E177-R198 IonicContact OE1-NH2 3.59Å; E177-R198 IonicContact OE2-CZ 3.55Å; E177-R198 IonicContact OE2-NE 2.74Å; E177-R198 PolarHBondContact OE2-NE 2.59Å; E177-R198 IonicContact OE2-NH2 3.47Å; E177-R198 PolarHBondContact OE2-NH2 3.06Å; Y178-R198 WeakPolarHBondContact O-CA 3.21Å; L179-R198 HydrophobicContact CD2-CG 4.21Å; R198-R345 HydrophobicContact CB-CB 4.31Å; R198-R345 PolarHBondContact O-N 3.15Å
199V95.3Very high88.8Confident0 Ų042.4 Ų42.40%021%0.213CC..EExtended strand (participates in β ladder)trans-129.5131.5166.6-173.50000109.9E177 Y178 L183 L196 L342 E343 F344 F684E177-V199 CarbonylContact C-O 3.54Å; E177-V199 VanDerWaalsContact CA-O 3.31Å; E177-V199 WeakPolarHBondContact CA-O 3.27Å; Y178-V199 PolarHBondContact N-O 3.27Å; Y178-V199 PolarHBondContact O-N 2.6Å; L183-V199 HydrophobicContact CD1-CG2 4.22Å; L183-V199 HydrophobicContact CD2-CB 4.44Å; L183-V199 HydrophobicContact CD2-CG2 3.86Å; L196-V199 HydrophobicContact CD1-CG2 4.01Å; L196-V199 HydrophobicContact CD2-CG2 4.24Å; L196-V199 HydrophobicContact CG-CG2 4.38Å; V199-L342 HydrophobicContact CG1-CD2 4.11Å; V199-E343 CarbonylContact C-O 3.56Å; V199-E343 VanDerWaalsContact CA-O 3.27Å; V199-E343 WeakPolarHBondContact CA-O 3.41Å; V199-F344 HydrophobicContact CB-CD1 4.43Å; V199-F344 HydrophobicContact CG1-CD1 4.05Å; V199-F344 HydrophobicContact CG1-CE1 4.06Å; V199-F344 HydrophobicContact CG1-CG 4.31Å; V199-F344 HydrophobicContact CG1-CZ 4.35Å; V199-F344 HydrophobicContact CG2-CD1 3.47Å; V199-F344 VanDerWaalsContact CG2-CD1 3.47Å; V199-F344 HydrophobicContact CG2-CE1 3.87Å; V199-F344 HydrophobicContact CG2-CG 4.2Å; V199-F684 HydrophobicContact CB-CE1 4.31Å; V199-F684 HydrophobicContact CB-CZ 4.09Å; V199-F684 HydrophobicContact CG1-CD1 4.41Å; V199-F684 HydrophobicContact CG1-CE1 3.63Å; V199-F684 HydrophobicContact CG1-CZ 3.93Å; V199-F684 HydrophobicContact CG2-CZ 4.31Å
200R94.4Very high89.3Confident82 Ų8238.5 Ų38.531%0.30919%0.192SC..EExtended strand (participates in β ladder)trans-102.6148.3175.5-47.2-174.3118.4-176.3-2111.5E177 L342 E343E177-R200 HydrophobicContact CG-CG 4.27Å; E177-R200 IonicContact OE1-CZ 3.8Å; E177-R200 IonicContact OE1-NE 3.86Å; E177-R200 PolarHBondContact OE1-NE 3.01Å; E177-R200 IonicContact OE1-NH2 2.68Å; E177-R200 PolarHBondContact OE1-NH2 2.99Å; R200-L342 WeakPolarHBondContact O-CA 3.45Å; R200-L342 WeakPolarHBondContact O-CD2 3.2Å; R200-E343 HydrophobicContact CB-CB 4.22Å; R200-E343 WeakPolarHBondContact CD-OE1 3.26Å; R200-E343 PolarHBondContact N-O 3.49Å; R200-E343 PolarHBondContact O-N 3.13Å; R200-E343 VanDerWaalsContact O-N 3.14Å
201C94.8Very high89.6Confident6 Ų647.2 Ų47.24%0.04122%0.224CC..  trans-113.561.4-173.5-72.30000113.7V175 K176 W203 Q204 L342V175-C201 WeakPolarHBondContact O-CB 3.26Å; K176-C201 PolarHBondContact O-N 3.06Å; C201-W203 PolarHBondContact O-N 3.06Å; C201-W203 VanDerWaalsContact O-N 3.08Å; C201-Q204 PolarHBondContact O-N 2.7Å; C201-L342 HydrophobicContact CB-CD2 4.38Å; C201-L342 VanDerWaalsContact SG-CD2 3.54Å
202N93.8Very high90.1Very high21 Ų2145.3 Ų45.311%0.11222%0.215CC..THydrogen-bonded Turntrans-60.5-15178.5-62.499.2000114.6Q204 E205 S206 R340 F341N202-Q204 PolarHBondContact O-N 2.82Å; N202-Q204 VanDerWaalsContact O-N 3.14Å; N202-E205 PolarHBondContact ND2-OE2 2.73Å; N202-E205 WeakPolarHBondContact O-CB 3.28Å; N202-E205 PolarHBondContact O-N 2.89Å; N202-S206 PolarHBondContact O-N 2.77Å; N202-S206 PolarHBondContact O-OG 2.93Å; N202-R340 CarbonylContact C-O 3.59Å; N202-R340 HydrophobicContact CB-CB 4.02Å; N202-R340 HydrophobicContact CB-CG 3.91Å; N202-R340 WeakPolarHBondContact CB-O 3.3Å; N202-F341 PolarHBondContact N-O 2.72Å
203W94Very high90.2Very high5 Ų545.6 Ų45.62%0.01922%0.216CC..Hα-helixtrans-56.7-26.917371.1-93.4000113.6C201 E205 S206 F207 R340 F341 T688 M692C201-W203 PolarHBondContact O-N 3.06Å; C201-W203 VanDerWaalsContact O-N 3.08Å; W203-E205 VanDerWaalsContact C-N 3.3Å; W203-E205 PolarHBondContact O-N 2.96Å; W203-S206 PolarHBondContact O-N 2.94Å; W203-F207 HydrophobicContact CB-CD2 4.43Å; W203-F207 WeakPolarHBondContact O-CD2 3.4Å; W203-F207 PolarHBondContact O-N 2.88Å; W203-R340 PolarHBondContact N-O 3.47Å; W203-F341 HydrophobicContact CB-CD2 3.4Å; W203-F341 VanDerWaalsContact CB-CD2 3.4Å; W203-F341 HydrophobicContact CB-CE2 3.71Å; W203-F341 HydrophobicContact CB-CG 4.26Å; W203-F341 WeakPolarHBondContact CB-O 3.4Å; W203-F341 HydrophobicContact CG-CD2 4.22Å; W203-F341 HydrophobicContact CG-CE2 4.1Å; W203-F341 PolarHBondContact N-O 2.93Å; W203-T688 HydrophobicContact CD2-CG2 4.48Å; W203-T688 HydrophobicContact CG-CG2 4.32Å; W203-T688 VanDerWaalsContact NE1-CG2 3.27Å; W203-M692 HydrophobicContact CD2-CB 4.44Å; W203-M692 HydrophobicContact CE3-CB 3.75Å; W203-M692 HydrophobicContact CE3-CG 3.69Å; W203-M692 HydrophobicContact CE3-SD 4.06Å; W203-M692 HydrophobicContact CH2-CB 4.11Å; W203-M692 HydrophobicContact CZ3-CB 3.56Å; W203-M692 HydrophobicContact CZ3-CG 3.66Å
204Q91Very high90.3Very high28 Ų2850.7 Ų50.713%0.13124%0.239CC..Hα-helixtrans-70.7-26.7176.8-66.8166.913.100112.7L173 N174 V175 C201 N202L173-Q204 PolarHBondContact O-NE2 2.84Å; L173-Q204 VanDerWaalsContact O-NE2 3.13Å; N174-Q204 PolarHBondContact O-OE1 3.41Å; V175-Q204 PolarHBondContact O-NE2 3Å; C201-Q204 PolarHBondContact O-N 2.7Å; N202-Q204 PolarHBondContact O-N 2.82Å; N202-Q204 VanDerWaalsContact O-N 3.14Å
205E90.1Very high90.4Very high134 Ų13447 Ų4763%0.62622%0.217SC*.Hα-helixtrans-83.4-39.5174.9-58.9160.6162.400110N202 W203N202-E205 PolarHBondContact ND2-OE2 2.73Å; N202-E205 WeakPolarHBondContact O-CB 3.28Å; N202-E205 PolarHBondContact O-N 2.89Å; W203-E205 VanDerWaalsContact C-N 3.3Å; W203-E205 PolarHBondContact O-N 2.96Å
206S90.8Very high90.1Very high30 Ų3053.2 Ų53.221%0.2125%0.245CC..Hα-helixtrans-67-33.9176.4-65.30000113.5N202 W203 R340N202-S206 PolarHBondContact O-N 2.77Å; N202-S206 PolarHBondContact O-OG 2.93Å; W203-S206 PolarHBondContact O-N 2.94Å; S206-R340 PolarHBondContact OG-N 2.79Å; S206-R340 PolarHBondContact OG-O 3.03Å; S206-R340 VanDerWaalsContact OG-O 3.12Å
207F93.1Very high89.9Confident13 Ų1359.8 Ų59.86%0.05727%0.271CS..SBendtrans-134.281.6-178.3-48-67000108.8W203 R211 F213 H339 I394 M692 R695W203-F207 HydrophobicContact CB-CD2 4.43Å; W203-F207 WeakPolarHBondContact O-CD2 3.4Å; W203-F207 PolarHBondContact O-N 2.88Å; F207-R211 WeakPolarHBondContact CA-O 3.33Å; F207-F213 HydrophobicContact CD1-CB 4.44Å; F207-F213 HydrophobicContact CD1-CD2 4.24Å; F207-F213 AromaticContact CE1-CD2 3.79Å; F207-F213 HydrophobicContact CE1-CD2 3.79Å; F207-F213 HydrophobicContact CE2-CD2 4.2Å; F207-F213 HydrophobicContact CG-CB 4.45Å; F207-F213 AromaticContact CZ-CD2 3.76Å; F207-F213 HydrophobicContact CZ-CD2 3.76Å; F207-F213 HydrophobicContact CZ-CE2 4.26Å; F207-H339 HydrophobicContact CE1-CB 4.36Å; F207-H339 AromaticContact CE1-CD2 3.84Å; F207-H339 AromaticContact CE1-CE1 3.72Å; F207-H339 AromaticContact CE1-CG 3.68Å; F207-H339 AromaticContact CE1-ND1 3.61Å; F207-H339 AromaticContact CE1-NE2 3.86Å; F207-H339 HydrophobicContact CE2-CB 4.05Å; F207-H339 HydrophobicContact CZ-CB 3.6Å; F207-H339 AromaticContact CZ-CD2 3.66Å; F207-H339 AromaticContact CZ-CG 3.37Å; F207-H339 AromaticContact CZ-ND1 3.76Å; F207-I394 HydrophobicContact CE2-CD1 4.46Å; F207-M692 HydrophobicContact CB-SD 4.47Å; F207-M692 HydrophobicContact CD2-SD 3.51Å; F207-M692 VanDerWaalsContact CD2-SD 3.51Å; F207-M692 HydrophobicContact CE2-SD 4.02Å; F207-M692 HydrophobicContact CG-SD 4.16Å; F207-R695 PolarHBondContact O-NH1 3.35Å; F207-R695 PolarHBondContact O-NH2 3.09Å
208P91.3Very high89.9Confident57 Ų5760 Ų6037%0.3728%0.277SS..  trans-68.2167.8176.529.1-35.3000111.7L210 R211P208-L210 VanDerWaalsContact C-N 3.26Å; P208-L210 PolarHBondContact O-N 3.06Å; P208-R211 HydrophobicContact CG-CB 3.91Å; P208-R211 CarbonylContact O-C 3.54Å; P208-R211 PolarHBondContact O-N 3.23Å; P208-R211 VanDerWaalsContact O-O 3.13Å
209L89.4Confident89.9Confident30 Ų3056.3 Ų56.316%0.15726%0.263CS..THydrogen-bonded Turntrans-56.1-36.7-176.3-75.3169.3000113.9R695 F699 L785 L787 V842L209-R695 HydrophobicContact CD2-CG 3.68Å; L209-F699 HydrophobicContact CB-CD1 4.45Å; L209-F699 HydrophobicContact CD2-CB 4.09Å; L209-F699 HydrophobicContact CD2-CD2 4.37Å; L209-F699 HydrophobicContact CD2-CG 4.16Å; L209-L785 HydrophobicContact CD2-CD2 4.24Å; L209-L787 HydrophobicContact CD1-CD2 3.73Å; L209-V842 HydrophobicContact CB-CG2 4.38Å; L209-V842 HydrophobicContact CD1-CG1 4.18Å; L209-V842 HydrophobicContact CD1-CG2 4.25Å
210L89.1Confident89.7Confident68 Ų6858 Ų5836%0.35627%0.273SS..THydrogen-bonded Turntrans-84.3-11.9179.6-54.8-174.8000113.4P208 P212 F699 L838 L839 V842P208-L210 VanDerWaalsContact C-N 3.26Å; P208-L210 PolarHBondContact O-N 3.06Å; L210-P212 VanDerWaalsContact C-CD 3.44Å; L210-F699 HydrophobicContact CD2-CE1 3.64Å; L210-F699 HydrophobicContact CD2-CZ 3.64Å; L210-L838 HydrophobicContact CD1-CB 4.28Å; L210-L838 HydrophobicContact CD2-CB 3.95Å; L210-L838 HydrophobicContact CD2-CD2 4.28Å; L210-L839 HydrophobicContact CD1-CD1 3.78Å; L210-V842 HydrophobicContact CD2-CG2 3.85Å; L210-V842 HydrophobicContact CG-CG2 4.22Å
211R89.5Confident89.6Confident195 Ų19554.9 Ų54.974%0.73626%0.262SS*.SBendtrans-128.269.3172.7-165.8172.2-68.7156.70.9109.5F207 P208F207-R211 WeakPolarHBondContact CA-O 3.33Å; P208-R211 HydrophobicContact CG-CB 3.91Å; P208-R211 CarbonylContact O-C 3.54Å; P208-R211 PolarHBondContact O-N 3.23Å; P208-R211 VanDerWaalsContact O-O 3.13Å
212P90.3Very high89.3Confident31 Ų3155.8 Ų55.820%0.20127%0.265CS..  trans-65.6168.8-177.628.9-36.5000112.2L210 Q214 D696L210-P212 VanDerWaalsContact C-CD 3.44Å; P212-Q214 HydrophobicContact CG-CG 4.34Å; P212-Q214 PolarHBondContact O-N 3.44Å; P212-D696 HydrophobicContact CB-CB 3.83Å; P212-D696 WeakPolarHBondContact CB-OD2 3.48Å
213F88Confident89Confident8 Ų857.6 Ų57.64%0.03527%0.274CS..  trans-71.1101.8179.6179.3-95.4000111.3F207 P215 L251 L253 M256 W398 M692 L693 D696F207-F213 HydrophobicContact CD1-CB 4.44Å; F207-F213 HydrophobicContact CD1-CD2 4.24Å; F207-F213 AromaticContact CE1-CD2 3.79Å; F207-F213 HydrophobicContact CE1-CD2 3.79Å; F207-F213 HydrophobicContact CE2-CD2 4.2Å; F207-F213 HydrophobicContact CG-CB 4.45Å; F207-F213 AromaticContact CZ-CD2 3.76Å; F207-F213 HydrophobicContact CZ-CD2 3.76Å; F207-F213 HydrophobicContact CZ-CE2 4.26Å; F213-P215 HydrophobicContact CE1-CG 4.25Å; F213-L251 HydrophobicContact CE2-CD1 4.45Å; F213-L251 HydrophobicContact CZ-CD1 3.88Å; F213-L253 HydrophobicContact CE1-CD2 3.95Å; F213-L253 HydrophobicContact CZ-CD2 4.15Å; F213-M256 WeakPolarHBondContact O-CE 3.48Å; F213-W398 AromaticContact CE2-CH2 3.82Å; F213-W398 HydrophobicContact CE2-CH2 3.82Å; F213-W398 HydrophobicContact CE2-CZ2 4.47Å; F213-W398 AromaticContact CZ-CH2 3.88Å; F213-W398 HydrophobicContact CZ-CH2 3.88Å; F213-W398 HydrophobicContact CZ-CZ2 4.07Å; F213-M692 HydrophobicContact CB-CE 3.54Å; F213-M692 HydrophobicContact CB-CG 4.34Å; F213-M692 HydrophobicContact CB-SD 3.79Å; F213-M692 HydrophobicContact CD1-CE 3.88Å; F213-M692 HydrophobicContact CD2-CE 3.87Å; F213-M692 HydrophobicContact CD2-SD 4.48Å; F213-M692 HydrophobicContact CG-CE 3.48Å; F213-M692 VanDerWaalsContact CG-CE 3.48Å; F213-M692 HydrophobicContact CG-SD 4.25Å; F213-L693 HydrophobicContact CD1-CD2 4.22Å; F213-D696 PolarHBondContact N-OD2 2.87Å
214Q85.9Confident88.3Confident121 Ų12157.7 Ų57.757%0.56528%0.275SS*.  trans-117.299.2179.8-69.1-172.3-5.400111.6P212 Q216P212-Q214 HydrophobicContact CG-CG 4.34Å; P212-Q214 PolarHBondContact O-N 3.44Å; Q214-Q216 PolarHBondContact O-N 3.07Å; Q214-Q216 VanDerWaalsContact O-N 3.13Å
215P83.4Confident87.3Confident0 Ų064 Ų640%030%0.302CS..  trans-67.9108.2169.527.8-32.7000109.7F213 L253 A255 M256 W398F213-P215 HydrophobicContact CE1-CG 4.25Å; P215-L253 HydrophobicContact CB-CD1 3.43Å; P215-L253 VanDerWaalsContact CB-CD1 3.43Å; P215-L253 HydrophobicContact CG-CD1 3.93Å; P215-A255 CarbonylContact O-C 3.6Å; P215-A255 WeakPolarHBondContact O-CA 3.26Å; P215-M256 HydrophobicContact CG-CB 4.1Å; P215-M256 HydrophobicContact CG-CE 4.36Å; P215-M256 PolarHBondContact O-N 3.26Å; P215-W398 HydrophobicContact CB-CH2 4.45Å; P215-W398 HydrophobicContact CB-CZ2 3.58Å
216Q78.2Confident85.9Confident141 Ų14160.4 Ų60.466%0.65929%0.285SS*.  trans-72.5-31.7-179.6-68.2178-9.900112.4Q214 A255Q214-Q216 PolarHBondContact O-N 3.07Å; Q214-Q216 VanDerWaalsContact O-N 3.13Å; Q216-A255 WeakPolarHBondContact O-CB 3.47Å
217Y85Confident83.8Confident139 Ų13964 Ų6455%0.54531%0.308SS..SBendtrans-125.3159.8-173.6-54.1-81.2000111.9W398Y217-W398 HydrophobicContact CD2-CB 4.09Å; Y217-W398 PolarHBondContact O-NE1 2.82Å; Y217-W398 VanDerWaalsContact O-NE1 3.09Å
218L89.2Confident81.3Confident74 Ų7471.3 Ų71.339%0.38734%0.342SS..  trans-62.9146171.5175.363.2000110.5T220 M401L218-T220 HydrophobicContact CD1-CG2 4.13Å; L218-T220 HydrophobicContact CD2-CG2 4.2Å; L218-T220 HydrophobicContact CG-CG2 4.09Å; L218-M401 WeakPolarHBondContact O-CG 3.12Å
219T91Very high79Confident0 Ų074.3 Ų74.30%036%0.356CS..  trans-130.3124.8168.240.20000111.6L251 S252 L253 V397 W398 M401T219-L251 PolarHBondContact OG1-O 2.93Å; T219-S252 WeakPolarHBondContact O-CA 3.48Å; T219-S252 WeakPolarHBondContact O-CB 3.41Å; T219-S252 PolarHBondContact O-OG 2.72Å; T219-S252 WeakPolarHBondContact OG1-CA 3.32Å; T219-L253 PolarHBondContact N-O 2.74Å; T219-L253 PolarHBondContact O-N 2.85Å; T219-L253 WeakPolarHBondContact OG1-CD1 3.27Å; T219-L253 PolarHBondContact OG1-N 3.48Å; T219-L253 PolarHBondContact OG1-O 2.88Å; T219-L253 VanDerWaalsContact OG1-O 3.08Å; T219-V397 HydrophobicContact CG2-CG2 3.72Å; T219-W398 HydrophobicContact CG2-CG 4.24Å; T219-M401 HydrophobicContact CG2-CG 4.39Å
220T91.6Very high76.5Confident36 Ų3678.3 Ų78.322%0.22139%0.386CS..  trans-135.4133.3-176.4400000109.7L218 M401 P645 S646 I647L218-T220 HydrophobicContact CD1-CG2 4.13Å; L218-T220 HydrophobicContact CD2-CG2 4.2Å; L218-T220 HydrophobicContact CG-CG2 4.09Å; T220-M401 VanDerWaalsContact O-CE 3.22Å; T220-M401 WeakPolarHBondContact O-CE 3.29Å; T220-P645 PolarHBondContact OG1-O 2.9Å; T220-S646 WeakPolarHBondContact O-CA 3.16Å; T220-S646 WeakPolarHBondContact O-CB 3.24Å; T220-S646 WeakPolarHBondContact OG1-CA 3.43Å; T220-I647 PolarHBondContact O-N 2.83Å
221F91.7Very high73.9Confident16 Ų1680.6 Ų80.67%0.0741%0.406CS..EExtended strand (participates in β ladder)trans-110.2128.8173.1-61.8-70.1000110.3L250 L284 I647 V649F221-L250 HydrophobicContact CE2-CB 4.09Å; F221-L250 HydrophobicContact CZ-CB 3.85Å; F221-L284 HydrophobicContact CB-CD1 4.35Å; F221-L284 HydrophobicContact CD2-CB 4.24Å; F221-L284 HydrophobicContact CE2-CB 4.45Å; F221-L284 HydrophobicContact CG-CD2 4.44Å; F221-I647 WeakPolarHBondContact CA-O 3.17Å; F221-I647 HydrophobicContact CD1-CB 3.73Å; F221-I647 HydrophobicContact CD1-CD1 4.46Å; F221-I647 HydrophobicContact CD1-CG2 3.7Å; F221-I647 HydrophobicContact CE1-CB 3.91Å; F221-I647 HydrophobicContact CE1-CD1 3.84Å; F221-I647 HydrophobicContact CE1-CG1 4.5Å; F221-I647 HydrophobicContact CE1-CG2 3.8Å; F221-V649 HydrophobicContact CB-CG2 4.08Å; F221-V649 HydrophobicContact CD1-CG2 3.88Å; F221-V649 HydrophobicContact CG-CG2 4.33Å
222Q89.3Confident71.3Confident25 Ų2577.8 Ų77.812%0.11741%0.406CS..EExtended strand (participates in β ladder)trans-102.1107.6167.4176.1154.3-2.400109.4I224 R642 S646 I647 V649Q222-I224 HydrophobicContact CG-CG1 4.41Å; Q222-R642 VanDerWaalsContact OE1-CG 3.31Å; Q222-S646 WeakPolarHBondContact CB-OG 3.35Å; Q222-I647 PolarHBondContact N-O 2.87Å; Q222-V649 PolarHBondContact O-N 3.46Å
223I87.1Confident68.4Low58 Ų5882.8 Ų82.830%0.29743%0.431SS..EExtended strand (participates in β ladder)trans-82.7122176.3-52171.5000108.9L284 V649 V659I223-L284 HydrophobicContact CD1-CD1 3.62Å; I223-L284 HydrophobicContact CG1-CD1 3.87Å; I223-V649 HydrophobicContact CG1-CB 4.43Å; I223-V649 HydrophobicContact CG1-CG1 4.49Å; I223-V659 HydrophobicContact CD1-CG1 4.18Å
224I80.4Confident65.9Low8 Ų888.9 Ų88.94%0.04146%0.462CS..EExtended strand (participates in β ladder)trans-103.9127.3174.9-54.2178.5000108.3Q222 L418 L639 L641 I648 V649 L650Q222-I224 HydrophobicContact CG-CG1 4.41Å; I224-L418 HydrophobicContact CD1-CD1 4.29Å; I224-L418 HydrophobicContact CG2-CD2 4.29Å; I224-L639 HydrophobicContact CG2-CD1 4.48Å; I224-L641 HydrophobicContact CD1-CD2 3.58Å; I224-L641 HydrophobicContact CG1-CD2 4.28Å; I224-I648 HydrophobicContact CD1-CG2 3.56Å; I224-I648 HydrophobicContact CG1-CG2 4.35Å; I224-V649 PolarHBondContact N-O 3.14Å; I224-L650 HydrophobicContact CB-CD2 4.2Å; I224-L650 HydrophobicContact CD1-CD2 4.09Å; I224-L650 HydrophobicContact CG2-CD2 4.41Å
225K69.8Low63.3Low161 Ų16190.8 Ų90.870%0.747%0.471SS*.PPolyproline II helixtrans-91124.7161.3-75-173.1176.6-175.10107.7
226E60Low61.1Low57 Ų5795.8 Ų95.827%0.26649%0.494SS..PPolyproline II helixtrans-75148.9172.7-46.7-151.5127.400110.2K424E226-K424 WeakPolarHBondContact OE1-CD 3.5Å; E226-K424 WeakPolarHBondContact OE1-CE 3.47Å; E226-K424 IonicContact OE1-NZ 3.56Å; E226-K424 PolarHBondContact OE1-NZ 3.29Å; E226-K424 IonicContact OE2-NZ 3.9Å; E226-K424 PolarHBondContact OE2-NZ 3.13Å
227P47.5Very low59Low107 Ų10794 Ų9470%0.69550%0.498SS*.PPolyproline II helixtrans-62.6150.9165.129.5-34.6000110D229P227-D229 PolarHBondContact O-N 2.74Å
228E40.7Very low56.9Low165 Ų16592.2 Ų92.277%0.77149%0.491SS*.PPolyproline II helixtrans-76.3116.8-175.8-62.1-177.6-16700111.6
229D41.4Very low54.5Low121 Ų12194.5 Ų94.565%0.64750%0.503SS*.  trans-158176.9156.8-110.7-27.4000110.7P227P227-D229 PolarHBondContact O-N 2.74Å
230S37.8Very low52.3Low113 Ų113100.4 Ų100.479%0.7954%0.535SS*.  trans-83.1146.5-16349.80000116.7
231C35.2Very low50.6Low117 Ų117102.7 Ų102.779%0.79155%0.546SS*.  trans-160.4159.4155.4-170.40000107.7
232D34.1Very low49.2Very low135 Ų135103.1 Ų103.172%0.72255%0.55SS**  trans-79.1149.8-147-51.7-89.8000117.2I234D232-I234 PolarHBondContact O-N 2.85Å
233D30Very low48.8Very low137 Ų137102.7 Ų102.773%0.73355%0.553SS**  trans-72.480.8179.5-74.8-47000112.8H235D233-H235 PolarHBondContact O-N 3.38Å
234I35.4Very low49Very low135 Ų135101.5 Ų101.569%0.69255%0.546SS*.  trans-74.375.9156.4-56.1-175.7000108.1D232 Q236D232-I234 PolarHBondContact O-N 2.85Å; I234-Q236 HydrophobicContact CG2-CG 4.05Å; I234-Q236 PolarHBondContact O-N 2.7Å
235H31.5Very low49.5Very low161 Ų161101.3 Ų101.375%0.74555%0.545SS*.  trans-71.562.3176.5-114.1-49.8000111.1D233 S237D233-H235 PolarHBondContact O-N 3.38Å; H235-S237 VanDerWaalsContact C-N 3.29Å; H235-S237 PolarHBondContact O-N 2.81Å
236Q35.8Very low50.7Low105 Ų10593.6 Ų93.649%0.49151%0.512SS..  trans-70.890.6164.2-79.9179.4-21.600108.8I234 Y238I234-Q236 HydrophobicContact CG2-CG 4.05Å; I234-Q236 PolarHBondContact O-N 2.7Å; Q236-Y238 VanDerWaalsContact C-N 3.29Å; Q236-Y238 HydrophobicContact CB-CD2 3.92Å; Q236-Y238 HydrophobicContact CB-CE2 3.48Å; Q236-Y238 VanDerWaalsContact CB-CE2 3.48Å; Q236-Y238 HydrophobicContact CG-CE2 4.37Å; Q236-Y238 VanDerWaalsContact O-CD2 3.27Å; Q236-Y238 WeakPolarHBondContact O-CD2 3.4Å; Q236-Y238 PolarHBondContact O-N 2.87Å; Q236-Y238 PolarHBondContact OE1-OH 2.92Å
237S33.7Very low52.4Low104 Ų10493 Ų9373%0.72751%0.507SS*.  trans-65.592162.256.80000108.6H235 N239H235-S237 VanDerWaalsContact C-N 3.29Å; H235-S237 PolarHBondContact O-N 2.81Å; S237-N239 PolarHBondContact O-N 3.03Å
238Y41.9Very low54.7Low102 Ų10287.9 Ų87.940%0.447%0.474SS..  trans-6967.2168.7-74.1-87.9000110.4Q236Q236-Y238 VanDerWaalsContact C-N 3.29Å; Q236-Y238 HydrophobicContact CB-CD2 3.92Å; Q236-Y238 HydrophobicContact CB-CE2 3.48Å; Q236-Y238 VanDerWaalsContact CB-CE2 3.48Å; Q236-Y238 HydrophobicContact CG-CE2 4.37Å; Q236-Y238 VanDerWaalsContact O-CD2 3.27Å; Q236-Y238 WeakPolarHBondContact O-CD2 3.4Å; Q236-Y238 PolarHBondContact O-N 2.87Å; Q236-Y238 PolarHBondContact OE1-OH 2.92Å
239N38.7Very low57.3Low122 Ų12280.1 Ų80.165%0.65244%0.438SS*.  trans-76.2-179.1150.6-156.214.4000108.5S237S237-N239 PolarHBondContact O-N 3.03Å
240N44.7Very low59.9Low124 Ų12474.3 Ų74.366%0.66341%0.407SS*.SBendtrans79.879.2178.2-43.5-12.8000113.6S242N240-S242 PolarHBondContact O-N 3.27Å; N240-S242 PolarHBondContact O-OG 3.21Å
241D56.2Low62.6Low84 Ų8469.2 Ų69.245%0.44937%0.371SS..  44.136.7115.2-62.216.2000117.2G243 E350 G351 F386D241-G243 PolarHBondContact O-N 3.19Å; D241-E350 WeakPolarHBondContact OD2-CA 3.36Å; D241-G351 PolarHBondContact OD2-N 2.59Å; D241-F386 HydrophobicContact CB-CZ 4.33Å
242S62.4Low65.3Low24 Ų2464.4 Ų64.417%0.16834%0.339CS..  trans-78.5113.7172.29.60000108.3N240 F244 S299 W300N240-S242 PolarHBondContact O-N 3.27Å; N240-S242 PolarHBondContact O-OG 3.21Å; S242-F244 PolarHBondContact O-N 3.37Å; S242-S299 VanDerWaalsContact OG-CB 3.27Å; S242-S299 WeakPolarHBondContact OG-CB 3.27Å; S242-W300 VanDerWaalsContact CB-O 3.26Å; S242-W300 WeakPolarHBondContact CB-O 3.22Å; S242-W300 PolarHBondContact OG-O 3.41Å
243G80.8Confident68.1Low17 Ų1758.2 Ų58.218%0.17531%0.305CS..SBendtrans-62.31.9179.800000115.5D241 Q388 I389D241-G243 PolarHBondContact O-N 3.19Å; G243-Q388 CarbonylContact O-C 3.56Å; G243-Q388 WeakPolarHBondContact O-CA 3.34Å; G243-I389 PolarHBondContact O-N 2.67Å
244F90.5Very high71Confident33 Ų3352.1 Ų52.115%0.14527%0.273CS..EExtended strand (participates in β ladder)trans-136.5141.6178.8-71.8-81000112S242 W300 P309 A310 L316 I389S242-F244 PolarHBondContact O-N 3.37Å; F244-W300 HydrophobicContact CB-CB 4.03Å; F244-W300 HydrophobicContact CB-CE3 4.47Å; F244-W300 HydrophobicContact CD2-CE3 4.4Å; F244-W300 WeakPolarHBondContact O-CB 3.21Å; F244-W300 PolarHBondContact O-N 3.18Å; F244-P309 HydrophobicContact CB-CB 4.32Å; F244-P309 HydrophobicContact CB-CG 3.94Å; F244-P309 HydrophobicContact CD1-CB 3.75Å; F244-P309 HydrophobicContact CD1-CG 4.31Å; F244-P309 HydrophobicContact CD2-CB 3.78Å; F244-P309 HydrophobicContact CD2-CG 3.77Å; F244-P309 HydrophobicContact CE1-CB 3.91Å; F244-P309 HydrophobicContact CE2-CB 3.93Å; F244-P309 HydrophobicContact CE2-CG 4.33Å; F244-P309 HydrophobicContact CG-CB 3.69Å; F244-P309 HydrophobicContact CG-CG 3.76Å; F244-P309 HydrophobicContact CZ-CB 4Å; F244-A310 HydrophobicContact CZ-CB 4.2Å; F244-L316 HydrophobicContact CB-CD2 3.98Å; F244-L316 HydrophobicContact CD1-CD2 4.34Å; F244-L316 HydrophobicContact CG-CD2 4.45Å; F244-I389 WeakPolarHBondContact CA-O 3.43Å; F244-I389 HydrophobicContact CD1-CB 3.78Å; F244-I389 HydrophobicContact CD1-CG2 4.21Å; F244-I389 HydrophobicContact CE1-CB 3.83Å; F244-I389 HydrophobicContact CE1-CD1 3.86Å; F244-I389 HydrophobicContact CE1-CG1 4.26Å; F244-I389 HydrophobicContact CE1-CG2 4.14Å; F244-I389 HydrophobicContact CZ-CD1 4.24Å
245A92.3Very high73.7Confident3 Ų346.5 Ų46.53%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-140151170.300000111.1Y247 G298 I389 V390 V391A245-Y247 HydrophobicContact CB-CE2 4.15Å; A245-G298 WeakPolarHBondContact CA-O 3.49Å; A245-I389 PolarHBondContact N-O 3.21Å; A245-V390 HydrophobicContact CB-CG1 4.42Å; A245-V390 HydrophobicContact CB-CG2 4.35Å; A245-V391 PolarHBondContact O-N 3.43Å
246A94.6Very high76.5Confident0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-125.7132.6-178.800000111.4G297 G298 L316 T319 A320 V391 F393A246-G297 CarbonylContact O-C 3.53Å; A246-G297 WeakPolarHBondContact O-CA 3.47Å; A246-G298 PolarHBondContact N-O 3.15Å; A246-G298 PolarHBondContact O-N 2.89Å; A246-L316 HydrophobicContact CB-CB 4.35Å; A246-L316 VanDerWaalsContact CB-O 3.27Å; A246-L316 WeakPolarHBondContact CB-O 3.11Å; A246-T319 HydrophobicContact CB-CG2 3.86Å; A246-A320 HydrophobicContact CB-CB 4.26Å; A246-V391 CarbonylContact C-O 3.56Å; A246-V391 WeakPolarHBondContact CA-O 3.32Å; A246-F393 HydrophobicContact CB-CE2 4.34Å
247Y95.4Very high79.2Confident44 Ų4438.5 Ų38.517%0.17322%0.222CC..EExtended strand (participates in β ladder)trans-129.3151.7-179-75.7-88.3000111.8A245 A295 I296 G297 V390 V391 Y392 F393A245-Y247 HydrophobicContact CB-CE2 4.15Å; Y247-A295 HydrophobicContact CD1-CB 4.13Å; Y247-A295 WeakPolarHBondContact CD1-O 3.4Å; Y247-I296 CarbonylContact C-O 3.1Å; Y247-I296 WeakPolarHBondContact CA-O 3.44Å; Y247-G297 VanDerWaalsContact CD1-CA 3.44Å; Y247-G297 VanDerWaalsContact CE1-C 3.49Å; Y247-V390 HydrophobicContact CD2-CG1 3.45Å; Y247-V390 VanDerWaalsContact CD2-CG1 3.45Å; Y247-V390 HydrophobicContact CE2-CG1 3.61Å; Y247-V391 PolarHBondContact N-O 3.44Å; Y247-Y392 HydrophobicContact CD2-CE2 4.38Å; Y247-Y392 HydrophobicContact CG-CE1 4.43Å; Y247-Y392 HydrophobicContact CG-CE2 4.41Å; Y247-Y392 CarbonylContact O-C 3.57Å; Y247-Y392 WeakPolarHBondContact O-CA 3.21Å; Y247-F393 PolarHBondContact O-N 3.43Å
248V95.9Very high81.9Confident0 Ų037.4 Ų37.40%021%0.206CC..EExtended strand (participates in β ladder)trans-126123-169.8-166.80000110.5L250 I296 A320 L332 P395V248-L250 HydrophobicContact CB-CG 4.46Å; V248-L250 HydrophobicContact CG1-CD2 3.71Å; V248-L250 HydrophobicContact CG1-CG 3.78Å; V248-L250 PolarHBondContact O-N 2.96Å; V248-I296 PolarHBondContact N-O 3.43Å; V248-A320 HydrophobicContact CG2-CB 3.67Å; V248-L332 HydrophobicContact CG1-CD1 3.93Å; V248-L332 HydrophobicContact CG2-CD1 4.36Å; V248-P395 HydrophobicContact CG1-CG 3.53Å
249L95.6Very high84.3Confident1 Ų132.7 Ų32.71%0.00519%0.187CC..  trans-92.883.5173.3-63.6175.6000109.2L251 I283 A295 F341 Y392 F393 I394 F682 C685L249-L251 HydrophobicContact CB-CD2 4.23Å; L249-L251 PolarHBondContact O-N 2.9Å; L249-I283 HydrophobicContact CD2-CD1 4.34Å; L249-A295 HydrophobicContact CD2-CB 3.99Å; L249-F341 HydrophobicContact CD1-CD1 3.46Å; L249-F341 VanDerWaalsContact CD1-CD1 3.46Å; L249-F341 HydrophobicContact CD1-CE1 3.77Å; L249-F341 HydrophobicContact CD1-CG 4.2Å; L249-Y392 HydrophobicContact CD1-CD1 4.26Å; L249-Y392 HydrophobicContact CD2-CD1 3.89Å; L249-Y392 HydrophobicContact CD2-CE1 4.24Å; L249-Y392 HydrophobicContact CG-CD1 3.97Å; L249-F393 PolarHBondContact N-O 3.3Å; L249-I394 HydrophobicContact CB-CG1 3.96Å; L249-I394 HydrophobicContact CD1-CG1 4.2Å; L249-F682 HydrophobicContact CD2-CE2 4.43Å; L249-C685 HydrophobicContact CD1-CB 4.08Å; L249-C685 HydrophobicContact CD2-CB 4.34Å
250L95.1Very high86.9Confident0 Ų028.3 Ų28.30%016%0.163CC..  trans-74.893.2176.3-66.7173000109.8F221 V248 I283 L284 I296 I328 L330 L332 P395 V397F221-L250 HydrophobicContact CE2-CB 4.09Å; F221-L250 HydrophobicContact CZ-CB 3.85Å; V248-L250 HydrophobicContact CB-CG 4.46Å; V248-L250 HydrophobicContact CG1-CD2 3.71Å; V248-L250 HydrophobicContact CG1-CG 3.78Å; V248-L250 PolarHBondContact O-N 2.96Å; L250-I283 WeakPolarHBondContact O-CA 3.39Å; L250-L284 HydrophobicContact CB-CB 3.94Å; L250-L284 HydrophobicContact CD1-CD2 3.88Å; L250-L284 PolarHBondContact O-N 2.97Å; L250-I296 HydrophobicContact CD1-CD1 4.33Å; L250-I328 HydrophobicContact CD1-CD1 3.83Å; L250-L330 HydrophobicContact CD1-CD2 3.93Å; L250-L330 HydrophobicContact CD2-CD2 4.33Å; L250-L332 HydrophobicContact CD2-CD1 4.28Å; L250-L332 HydrophobicContact CD2-CD2 4.08Å; L250-P395 HydrophobicContact CD2-CG 4.07Å; L250-V397 HydrophobicContact CD2-CG1 3.61Å
251L93.8Very high89.1Confident6 Ų625.5 Ų25.53%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-80.1132.6-178-51.8-174.1000111F213 T219 L249 L253 I283 I394 I689F213-L251 HydrophobicContact CE2-CD1 4.45Å; F213-L251 HydrophobicContact CZ-CD1 3.88Å; T219-L251 PolarHBondContact OG1-O 2.93Å; L249-L251 HydrophobicContact CB-CD2 4.23Å; L249-L251 PolarHBondContact O-N 2.9Å; L251-L253 HydrophobicContact CB-CD2 4.09Å; L251-L253 HydrophobicContact CB-CG 4.26Å; L251-L253 HydrophobicContact CD1-CD2 4.17Å; L251-I283 HydrophobicContact CD2-CD1 3.76Å; L251-I283 HydrophobicContact CD2-CG1 3.7Å; L251-I394 HydrophobicContact CD1-CD1 4.35Å; L251-I394 HydrophobicContact CD1-CG2 4.28Å; L251-I689 HydrophobicContact CD2-CD1 3.94Å
252S93.2Very high90.8Very high16 Ų1624.7 Ų24.711%0.11214%0.139CC..EExtended strand (participates in β ladder)trans-112.8117.6165.8169.20000108.2T219 K282T219-S252 WeakPolarHBondContact O-CA 3.48Å; T219-S252 WeakPolarHBondContact O-CB 3.41Å; T219-S252 PolarHBondContact O-OG 2.72Å; T219-S252 WeakPolarHBondContact OG1-CA 3.32Å; S252-K282 PolarHBondContact N-O 2.89Å; S252-K282 PolarHBondContact O-N 2.76Å
253L92.4Very high92.2Very high4 Ų423.6 Ų23.62%0.02113%0.131CC..  trans-156.6154.1-174.540.870.2000111.3F213 P215 T219 L251 I281 W398F213-L253 HydrophobicContact CE1-CD2 3.95Å; F213-L253 HydrophobicContact CZ-CD2 4.15Å; P215-L253 HydrophobicContact CB-CD1 3.43Å; P215-L253 VanDerWaalsContact CB-CD1 3.43Å; P215-L253 HydrophobicContact CG-CD1 3.93Å; T219-L253 PolarHBondContact N-O 2.74Å; T219-L253 PolarHBondContact O-N 2.85Å; T219-L253 WeakPolarHBondContact OG1-CD1 3.27Å; T219-L253 PolarHBondContact OG1-N 3.48Å; T219-L253 PolarHBondContact OG1-O 2.88Å; T219-L253 VanDerWaalsContact OG1-O 3.08Å; L251-L253 HydrophobicContact CB-CD2 4.09Å; L251-L253 HydrophobicContact CB-CG 4.26Å; L251-L253 HydrophobicContact CD1-CD2 4.17Å; L253-I281 HydrophobicContact CB-CG1 4.33Å; L253-I281 HydrophobicContact CD2-CG1 4.4Å; L253-I281 HydrophobicContact CD2-CG2 4.3Å; L253-W398 HydrophobicContact CD1-CZ2 4.25Å
254P91.9Very high92.7Very high9 Ų922.8 Ų22.86%0.05812%0.123CC..  trans-63.6161170.6-19.531.9000112.8E258 L259 K262 Y280P254-E258 HydrophobicContact CB-CB 3.81Å; P254-L259 HydrophobicContact CB-CB 4.37Å; P254-L259 HydrophobicContact CG-CD1 4.4Å; P254-K262 HydrophobicContact CG-CD 4.2Å; P254-Y280 WeakPolarHBondContact CD-O 3.49Å
255A91.8Very high92.8Very high17 Ų1722.2 Ų22.214%0.1412%0.122CC..  trans-55148.2161.600000110.5P215 Q216 A257 E258 L259P215-A255 CarbonylContact O-C 3.6Å; P215-A255 WeakPolarHBondContact O-CA 3.26Å; Q216-A255 WeakPolarHBondContact O-CB 3.47Å; A255-A257 VanDerWaalsContact C-N 3.3Å; A255-A257 PolarHBondContact O-N 2.83Å; A255-E258 WeakPolarHBondContact O-CB 3.45Å; A255-E258 PolarHBondContact O-N 2.83Å; A255-L259 PolarHBondContact O-N 2.81Å
256M90.5Very high92.7Very high26 Ų2624.9 Ų24.913%0.12813%0.131CC..Hα-helixtrans-58.8-38.7-169.9-176.954.987.300112.8F213 P215 L259 M260 F760F213-M256 WeakPolarHBondContact O-CE 3.48Å; P215-M256 HydrophobicContact CG-CB 4.1Å; P215-M256 HydrophobicContact CG-CE 4.36Å; P215-M256 PolarHBondContact O-N 3.26Å; M256-L259 WeakPolarHBondContact O-CB 3.31Å; M256-L259 PolarHBondContact O-N 2.85Å; M256-L259 VanDerWaalsContact O-N 3.15Å; M256-L259 HydrophobicContact SD-CB 4.49Å; M256-L259 HydrophobicContact SD-CD2 4.21Å; M256-M260 HydrophobicContact CG-CE 3.87Å; M256-M260 HydrophobicContact CG-CG 4.43Å; M256-M260 HydrophobicContact CG-SD 4.39Å; M256-M260 VanDerWaalsContact O-CG 3.29Å; M256-M260 WeakPolarHBondContact O-CG 3.48Å; M256-M260 PolarHBondContact O-N 3.08Å; M256-M260 HydrophobicContact SD-CE 4.05Å; M256-M260 HydrophobicContact SD-CG 4.17Å; M256-F760 HydrophobicContact SD-CE1 4.35Å; M256-F760 HydrophobicContact SD-CZ 4.46Å
257A91.1Very high92.3Very high72 Ų7226 Ų2660%0.59514%0.14SC*.Hα-helixtrans-61-45.3175.700000112.4A255 L259 M260 E261A255-A257 VanDerWaalsContact C-N 3.3Å; A255-A257 PolarHBondContact O-N 2.83Å; A257-L259 VanDerWaalsContact C-N 3.32Å; A257-L259 PolarHBondContact O-N 2.95Å; A257-M260 PolarHBondContact O-N 2.86Å; A257-E261 WeakPolarHBondContact O-CB 3.27Å; A257-E261 PolarHBondContact O-N 2.87Å
258E91.8Very high91.9Very high82 Ų8227 Ų2738%0.38315%0.147SC..Hα-helixtrans-64.3-37.2172.7-73.6-172.3-156.800112.2P254 A255 K262P254-E258 HydrophobicContact CB-CB 3.81Å; A255-E258 WeakPolarHBondContact O-CB 3.45Å; A255-E258 PolarHBondContact O-N 2.83Å; E258-K262 HydrophobicContact CB-CD 4.37Å; E258-K262 WeakPolarHBondContact O-CB 3.32Å; E258-K262 WeakPolarHBondContact O-CD 3.45Å; E258-K262 WeakPolarHBondContact O-CG 3.4Å; E258-K262 PolarHBondContact O-N 3.01Å; E258-K262 IonicContact OE2-NZ 2.68Å; E258-K262 PolarHBondContact OE2-NZ 3.2Å
259L92Very high91.5Very high2 Ų229.6 Ų29.61%0.0116%0.164CC..Hα-helixtrans-66.2-43.5-179.4-175.160.9000110.9P254 A255 M256 A257 K262 I263 L277 Y280P254-L259 HydrophobicContact CB-CB 4.37Å; P254-L259 HydrophobicContact CG-CD1 4.4Å; A255-L259 PolarHBondContact O-N 2.81Å; M256-L259 WeakPolarHBondContact O-CB 3.31Å; M256-L259 PolarHBondContact O-N 2.85Å; M256-L259 VanDerWaalsContact O-N 3.15Å; M256-L259 HydrophobicContact SD-CB 4.49Å; M256-L259 HydrophobicContact SD-CD2 4.21Å; A257-L259 VanDerWaalsContact C-N 3.32Å; A257-L259 PolarHBondContact O-N 2.95Å; L259-K262 PolarHBondContact O-N 3.03Å; L259-I263 HydrophobicContact CD1-CD1 3.59Å; L259-I263 HydrophobicContact CG-CD1 3.91Å; L259-I263 WeakPolarHBondContact O-CB 3.48Å; L259-I263 WeakPolarHBondContact O-CD1 3.48Å; L259-I263 WeakPolarHBondContact O-CG1 3.5Å; L259-I263 PolarHBondContact O-N 2.96Å; L259-I263 VanDerWaalsContact O-N 3.16Å; L259-L277 HydrophobicContact CD1-CD1 4.17Å; L259-L277 HydrophobicContact CD2-CD1 4.22Å; L259-L277 HydrophobicContact CG-CD1 4.39Å; L259-Y280 HydrophobicContact CD1-CD2 4.45Å; L259-Y280 HydrophobicContact CD1-CG 4.26Å
260M93.6Very high90.9Very high30 Ų3034.7 Ų34.715%0.14820%0.197CC..Hα-helixtrans-57.4-57171.9-70.3179.1169.900110.6M256 A257 K262 I263 V264 L756 P757 F760M256-M260 HydrophobicContact CG-CE 3.87Å; M256-M260 HydrophobicContact CG-CG 4.43Å; M256-M260 HydrophobicContact CG-SD 4.39Å; M256-M260 VanDerWaalsContact O-CG 3.29Å; M256-M260 WeakPolarHBondContact O-CG 3.48Å; M256-M260 PolarHBondContact O-N 3.08Å; M256-M260 HydrophobicContact SD-CE 4.05Å; M256-M260 HydrophobicContact SD-CG 4.17Å; A257-M260 PolarHBondContact O-N 2.86Å; M260-K262 VanDerWaalsContact C-N 3.29Å; M260-K262 PolarHBondContact O-N 2.94Å; M260-I263 PolarHBondContact O-N 3.09Å; M260-I263 VanDerWaalsContact O-N 3.08Å; M260-V264 VanDerWaalsContact O-CB 3.31Å; M260-V264 WeakPolarHBondContact O-CB 3.27Å; M260-V264 WeakPolarHBondContact O-CG2 3.34Å; M260-V264 PolarHBondContact O-N 3.11Å; M260-L756 HydrophobicContact CB-CD2 4.37Å; M260-L756 HydrophobicContact CB-CG 4.29Å; M260-P757 HydrophobicContact CE-CB 4.17Å; M260-F760 HydrophobicContact CB-CB 4.24Å; M260-F760 HydrophobicContact CB-CD2 4.25Å; M260-F760 HydrophobicContact CB-CG 4.31Å; M260-F760 HydrophobicContact CE-CB 4.4Å; M260-F760 HydrophobicContact CE-CD1 3.9Å; M260-F760 HydrophobicContact CE-CG 4.31Å; M260-F760 HydrophobicContact CG-CB 3.78Å; M260-F760 HydrophobicContact CG-CD1 4.03Å; M260-F760 HydrophobicContact CG-CD2 3.88Å; M260-F760 HydrophobicContact CG-CE2 4.47Å; M260-F760 HydrophobicContact CG-CG 3.62Å; M260-F760 HydrophobicContact SD-CB 4.4Å
261E91.1Very high90.2Very high65 Ų6540.1 Ų40.130%0.30424%0.235SC..Hα-helixtrans-58.6-39.4179.5-169.559.1-124.200111.8A257 I263 R266 R272A257-E261 WeakPolarHBondContact O-CB 3.27Å; A257-E261 PolarHBondContact O-N 2.87Å; E261-I263 VanDerWaalsContact C-N 3.28Å; E261-I263 PolarHBondContact O-N 3.28Å; E261-R266 WeakPolarHBondContact OE1-CD 3.43Å; E261-R266 WeakPolarHBondContact OE1-CG 3.25Å; E261-R266 WeakPolarHBondContact OE2-CD 3.28Å; E261-R266 IonicContact OE2-NH1 3.2Å; E261-R266 PolarHBondContact OE2-NH1 3.45Å; E261-R266 VanDerWaalsContact OE2-NH1 3.1Å; E261-R272 PolarHBondContact O-NH1 2.72Å
262K90.9Very high89.9Confident68 Ų6843.6 Ų43.630%0.29625%0.248SC..Hα-helixtrans-65.6-29.1178.4-78.4164.7-177.2172.80113P254 E258 L259 M260 R272 G275 Y280P254-K262 HydrophobicContact CG-CD 4.2Å; E258-K262 HydrophobicContact CB-CD 4.37Å; E258-K262 WeakPolarHBondContact O-CB 3.32Å; E258-K262 WeakPolarHBondContact O-CD 3.45Å; E258-K262 WeakPolarHBondContact O-CG 3.4Å; E258-K262 PolarHBondContact O-N 3.01Å; E258-K262 IonicContact OE2-NZ 2.68Å; E258-K262 PolarHBondContact OE2-NZ 3.2Å; L259-K262 PolarHBondContact O-N 3.03Å; M260-K262 VanDerWaalsContact C-N 3.29Å; M260-K262 PolarHBondContact O-N 2.94Å; K262-R272 PolarHBondContact O-NH1 2.94Å; K262-R272 PolarHBondContact O-NH2 3.38Å; K262-G275 WeakPolarHBondContact O-CA 3.35Å; K262-Y280 HydrophobicContact CB-CD2 4.41Å; K262-Y280 HydrophobicContact CB-CE1 4.15Å; K262-Y280 HydrophobicContact CB-CE2 4.03Å; K262-Y280 HydrophobicContact CD-CD1 4.28Å; K262-Y280 HydrophobicContact CD-CE1 4.17Å; K262-Y280 HydrophobicContact CG-CE1 4.37Å
263I91.6Very high89.3Confident1 Ų150.9 Ų50.91%0.00528%0.283CS..Hα-helixtrans-98.7-33.3-175.3-70.1162.9000113L259 M260 E261 R274 L277 Y280 F760L259-I263 HydrophobicContact CD1-CD1 3.59Å; L259-I263 HydrophobicContact CG-CD1 3.91Å; L259-I263 WeakPolarHBondContact O-CB 3.48Å; L259-I263 WeakPolarHBondContact O-CD1 3.48Å; L259-I263 WeakPolarHBondContact O-CG1 3.5Å; L259-I263 PolarHBondContact O-N 2.96Å; L259-I263 VanDerWaalsContact O-N 3.16Å; M260-I263 PolarHBondContact O-N 3.09Å; M260-I263 VanDerWaalsContact O-N 3.08Å; E261-I263 VanDerWaalsContact C-N 3.28Å; E261-I263 PolarHBondContact O-N 3.28Å; I263-R274 WeakPolarHBondContact O-CG 3.49Å; I263-L277 HydrophobicContact CD1-CB 3.77Å; I263-L277 HydrophobicContact CD1-CD1 3.43Å; I263-L277 VanDerWaalsContact CD1-CD1 3.43Å; I263-L277 HydrophobicContact CD1-CG 4.18Å; I263-Y280 HydrophobicContact CD1-CD2 4.26Å; I263-Y280 HydrophobicContact CG1-CD2 3.89Å; I263-Y280 HydrophobicContact CG1-CE2 4.07Å; I263-F760 HydrophobicContact CB-CD2 4.46Å; I263-F760 HydrophobicContact CB-CE2 4.4Å; I263-F760 HydrophobicContact CD1-CE2 3.88Å; I263-F760 HydrophobicContact CG2-CD2 4.35Å; I263-F760 HydrophobicContact CG2-CE2 4.33Å
264V92.4Very high88.8Confident0 Ų054.1 Ų54.10%030%0.295CS..  trans-79.6146.3-178.6167.20000111.6M260 R266 R272 L756 L759 F760M260-V264 VanDerWaalsContact O-CB 3.31Å; M260-V264 WeakPolarHBondContact O-CB 3.27Å; M260-V264 WeakPolarHBondContact O-CG2 3.34Å; M260-V264 PolarHBondContact O-N 3.11Å; V264-R266 HydrophobicContact CG1-CG 4.29Å; V264-R272 PolarHBondContact O-NH1 3.04Å; V264-L756 HydrophobicContact CB-CD1 4.06Å; V264-L756 HydrophobicContact CG1-CD1 3.82Å; V264-L756 HydrophobicContact CG2-CD1 4.11Å; V264-L759 HydrophobicContact CG1-CB 4.37Å; V264-L759 HydrophobicContact CG1-CD2 3.43Å; V264-L759 VanDerWaalsContact CG1-CD2 3.43Å; V264-L759 HydrophobicContact CG1-CG 3.65Å; V264-L759 HydrophobicContact CG2-CG 4.3Å; V264-F760 HydrophobicContact CG2-CB 3.99Å
265V91.2Very high88.4Confident20 Ų2054.2 Ų54.212%0.12130%0.297CS..  trans-104.6102.9163.6-178.10000106.8R272 R274 R810V265-R272 HydrophobicContact CG1-CB 4.47Å; V265-R272 WeakPolarHBondContact CG1-O 3.45Å; V265-R272 WeakPolarHBondContact CG2-O 3.28Å; V265-R274 HydrophobicContact CG2-CB 3.67Å; V265-R274 HydrophobicContact CG2-CG 4.12Å; V265-R810 PolarHBondContact O-NH1 2.71Å; V265-R810 PolarHBondContact O-NH2 2.81Å
266R90.5Very high88.2Confident60 Ų6055.4 Ų55.423%0.22630%0.304CS..  trans-70160.7179.7-45.1174.462.7108.51.1111.6E261 V264 E268 S269 T753E261-R266 WeakPolarHBondContact OE1-CD 3.43Å; E261-R266 WeakPolarHBondContact OE1-CG 3.25Å; E261-R266 WeakPolarHBondContact OE2-CD 3.28Å; E261-R266 IonicContact OE2-NH1 3.2Å; E261-R266 PolarHBondContact OE2-NH1 3.45Å; E261-R266 VanDerWaalsContact OE2-NH1 3.1Å; V264-R266 HydrophobicContact CG1-CG 4.29Å; R266-E268 VanDerWaalsContact C-N 3.3Å; R266-E268 WeakPolarHBondContact CB-OE2 3.28Å; R266-E268 IonicContact CZ-OE1 2.71Å; R266-E268 IonicContact CZ-OE2 3.39Å; R266-E268 IonicContact NE-OE1 2.61Å; R266-E268 PolarHBondContact NE-OE1 3.11Å; R266-E268 IonicContact NE-OE2 2.6Å; R266-E268 PolarHBondContact NE-OE2 2.75Å; R266-E268 IonicContact NH2-OE1 3.44Å; R266-E268 PolarHBondContact NH2-OE1 2.87Å; R266-E268 IonicContact NH2-OE2 3.66Å; R266-E268 PolarHBondContact O-N 2.68Å; R266-S269 CarbonylContact O-C 3.11Å; R266-S269 PolarHBondContact O-N 2.79Å; R266-T753 WeakPolarHBondContact CA-OG1 3.26Å; R266-T753 PolarHBondContact NH2-O 3.01Å
267A87.5Confident88.1Confident22 Ų2255.1 Ų55.118%0.18230%0.303CS..THydrogen-bonded Turntrans-66.8-29179.500000113.4S269 L751 T753 D814A267-S269 PolarHBondContact O-N 2.83Å; A267-L751 CarbonylContact C-O 3.56Å; A267-L751 HydrophobicContact CB-CB 3.71Å; A267-L751 WeakPolarHBondContact CB-O 3.38Å; A267-T753 PolarHBondContact N-OG1 3.41Å; A267-D814 HydrophobicContact CB-CB 4.06Å
268E87Confident87.9Confident67 Ų6755.6 Ų55.631%0.31329%0.29SS..THydrogen-bonded Turntrans-74.2-7.9177.7-45.185.3160.900112.9R266 L751 Y752 T753R266-E268 VanDerWaalsContact C-N 3.3Å; R266-E268 WeakPolarHBondContact CB-OE2 3.28Å; R266-E268 IonicContact CZ-OE1 2.71Å; R266-E268 IonicContact CZ-OE2 3.39Å; R266-E268 IonicContact NE-OE1 2.61Å; R266-E268 PolarHBondContact NE-OE1 3.11Å; R266-E268 IonicContact NE-OE2 2.6Å; R266-E268 PolarHBondContact NE-OE2 2.75Å; R266-E268 IonicContact NH2-OE1 3.44Å; R266-E268 PolarHBondContact NH2-OE1 2.87Å; R266-E268 IonicContact NH2-OE2 3.66Å; R266-E268 PolarHBondContact O-N 2.68Å; E268-L751 PolarHBondContact N-O 3.04Å; E268-Y752 HydrophobicContact CG-CD1 3.63Å; E268-Y752 HydrophobicContact CG-CE1 4.24Å; E268-Y752 HydrophobicContact CG-CG 4.39Å; E268-Y752 WeakPolarHBondContact OE1-CA 3.39Å; E268-T753 PolarHBondContact OE1-N 3.23Å
269S87.6Confident87.8Confident53 Ų5357.8 Ų57.837%0.37130%0.298SS..  trans-144.360-174.4-71.10000112.6R266 A267 S271 R272R266-S269 CarbonylContact O-C 3.11Å; R266-S269 PolarHBondContact O-N 2.79Å; A267-S269 PolarHBondContact O-N 2.83Å; S269-S271 PolarHBondContact O-N 2.72Å; S269-S271 VanDerWaalsContact O-N 3.17Å; S269-R272 VanDerWaalsContact O-CB 3.28Å; S269-R272 WeakPolarHBondContact O-CB 3.4Å; S269-R272 PolarHBondContact O-N 2.75Å
270P81.7Confident87.7Confident108 Ų10861.2 Ų61.270%0.70131%0.311SS*.THydrogen-bonded Turntrans-68.3-15.8-173.930-36.7000114R272P270-R272 VanDerWaalsContact C-N 3.27Å
271S81.7Confident87.7Confident114 Ų11459.9 Ų59.980%0.79731%0.305SS*.THydrogen-bonded Turntrans-75-12.5173.354.60000113.7S269 M273S269-S271 PolarHBondContact O-N 2.72Å; S269-S271 VanDerWaalsContact O-N 3.17Å; S271-M273 PolarHBondContact O-N 2.87Å
272R85.8Confident87.8Confident80 Ų8061.1 Ų61.130%0.30231%0.309SS..SBendtrans-76125.1-176.5-174.1171.4-179.4-86.1-12.7111.1E261 K262 V264 V265 S269 P270E261-R272 PolarHBondContact O-NH1 2.72Å; K262-R272 PolarHBondContact O-NH1 2.94Å; K262-R272 PolarHBondContact O-NH2 3.38Å; V264-R272 PolarHBondContact O-NH1 3.04Å; V265-R272 HydrophobicContact CG1-CB 4.47Å; V265-R272 WeakPolarHBondContact CG1-O 3.45Å; V265-R272 WeakPolarHBondContact CG2-O 3.28Å; S269-R272 VanDerWaalsContact O-CB 3.28Å; S269-R272 WeakPolarHBondContact O-CB 3.4Å; S269-R272 PolarHBondContact O-N 2.75Å; P270-R272 VanDerWaalsContact C-N 3.27Å
273M82.3Confident87.9Confident169 Ų16957.9 Ų57.983%0.83330%0.295SS*.PPolyproline II helixtrans-69.5133.4175-71.8-63.7-72.700111.8S271 G275S271-M273 PolarHBondContact O-N 2.87Å; M273-G275 PolarHBondContact O-N 3.18Å
274R81.6Confident88Confident72 Ų7257.9 Ų57.927%0.27230%0.295SS..PPolyproline II helixtrans-65.8125.4-176.6-168-173.7147.2-173.7-4.5112I263 V265 T763 D766I263-R274 WeakPolarHBondContact O-CG 3.49Å; V265-R274 HydrophobicContact CG2-CB 3.67Å; V265-R274 HydrophobicContact CG2-CG 4.12Å; R274-T763 PolarHBondContact NH1-O 2.85Å; R274-T763 PolarHBondContact NH2-O 3.35Å; R274-D766 PolarHBondContact NH1-O 3.09Å
275G83.8Confident87.9Confident10 Ų1057.9 Ų57.910%0.10330%0.295CS..PPolyproline II helixtrans-69.8152.8177.200000113.9K262 M273K262-G275 WeakPolarHBondContact O-CA 3.35Å; M273-G275 PolarHBondContact O-N 3.18Å
276S86.2Confident87.7Confident43 Ų4357.4 Ų57.430%0.30129%0.293SS..PPolyproline II helixtrans-100.2118.1173.5-179.80000110.7R278 K279 Y280S276-R278 PolarHBondContact O-N 3.21Å; S276-R278 VanDerWaalsContact O-N 3.1Å; S276-K279 WeakPolarHBondContact O-CB 3.45Å; S276-K279 PolarHBondContact O-N 3.33Å; S276-Y280 VanDerWaalsContact O-CD2 3.3Å; S276-Y280 WeakPolarHBondContact O-CD2 3.39Å
277L88.5Confident87.3Confident19 Ų1954.9 Ų54.910%0.09929%0.286CS..Hα-helixtrans-49.2-38.1177.2179.162.4000112.9L259 I263 K279 Y280 I281 F690 L693 V764L259-L277 HydrophobicContact CD1-CD1 4.17Å; L259-L277 HydrophobicContact CD2-CD1 4.22Å; L259-L277 HydrophobicContact CG-CD1 4.39Å; I263-L277 HydrophobicContact CD1-CB 3.77Å; I263-L277 HydrophobicContact CD1-CD1 3.43Å; I263-L277 VanDerWaalsContact CD1-CD1 3.43Å; I263-L277 HydrophobicContact CD1-CG 4.18Å; L277-K279 PolarHBondContact O-N 2.69Å; L277-K279 VanDerWaalsContact O-N 3.17Å; L277-Y280 PolarHBondContact O-N 3.49Å; L277-I281 HydrophobicContact CD1-CD1 3.92Å; L277-I281 HydrophobicContact CD1-CG1 4.43Å; L277-I281 HydrophobicContact CG-CD1 4.36Å; L277-F690 HydrophobicContact CB-CE1 4.47Å; L277-F690 HydrophobicContact CD2-CD1 3.97Å; L277-F690 HydrophobicContact CD2-CE1 3.74Å; L277-F690 HydrophobicContact CG-CE1 3.84Å; L277-L693 HydrophobicContact CD1-CD1 4.4Å; L277-L693 HydrophobicContact CD2-CD1 4.13Å; L277-V764 HydrophobicContact CD2-CG2 4.38Å
278R88.2Confident86.9Confident83 Ų8358.9 Ų58.931%0.31330%0.299SS..Hα-helixtrans-62.5-21.2180-59.3-158-67.4-87.65.3114.4S276 L664 D665 M668 F690S276-R278 PolarHBondContact O-N 3.21Å; S276-R278 VanDerWaalsContact O-N 3.1Å; R278-L664 PolarHBondContact O-N 3.5Å; R278-D665 HydrophobicContact CB-CB 3.68Å; R278-D665 PolarHBondContact O-N 3.39Å; R278-M668 WeakPolarHBondContact CD-SD 3.46Å; R278-M668 HydrophobicContact CG-SD 4.22Å; R278-F690 HydrophobicContact CB-CZ 4.29Å; R278-F690 HydrophobicContact CG-CE1 3.86Å; R278-F690 HydrophobicContact CG-CZ 3.68Å
279K88.5Confident86.1Confident127 Ų12761 Ų6155%0.55232%0.316SS*.Hα-helixtrans-87.8-22.5-179.7-70.7-169.8170-170.60114S276 L277 D665S276-K279 WeakPolarHBondContact O-CB 3.45Å; S276-K279 PolarHBondContact O-N 3.33Å; L277-K279 PolarHBondContact O-N 2.69Å; L277-K279 VanDerWaalsContact O-N 3.17Å; K279-D665 VanDerWaalsContact CE-OD2 3.28Å; K279-D665 WeakPolarHBondContact CE-OD2 3.35Å; K279-D665 HydrophobicContact CG-CB 4.21Å; K279-D665 VanDerWaalsContact CG-OD2 3.32Å; K279-D665 WeakPolarHBondContact CG-OD2 3.48Å
280Y90.5Very high85Confident75 Ų7563.5 Ų63.529%0.29433%0.326SS..Hα-helixtrans-94.5-21.7-175-63.1-65.4000113.4P254 L259 K262 I263 S276 L277P254-Y280 WeakPolarHBondContact CD-O 3.49Å; L259-Y280 HydrophobicContact CD1-CD2 4.45Å; L259-Y280 HydrophobicContact CD1-CG 4.26Å; K262-Y280 HydrophobicContact CB-CD2 4.41Å; K262-Y280 HydrophobicContact CB-CE1 4.15Å; K262-Y280 HydrophobicContact CB-CE2 4.03Å; K262-Y280 HydrophobicContact CD-CD1 4.28Å; K262-Y280 HydrophobicContact CD-CE1 4.17Å; K262-Y280 HydrophobicContact CG-CE1 4.37Å; I263-Y280 HydrophobicContact CD1-CD2 4.26Å; I263-Y280 HydrophobicContact CG1-CD2 3.89Å; I263-Y280 HydrophobicContact CG1-CE2 4.07Å; S276-Y280 VanDerWaalsContact O-CD2 3.3Å; S276-Y280 WeakPolarHBondContact O-CD2 3.39Å; L277-Y280 PolarHBondContact O-N 3.49Å
281I92.7Very high84.5Confident2 Ų263 Ų631%0.0131%0.314CS..  trans-94.9130.3170.1-53.6171.9000108.7L253 L277 L664 L693L253-I281 HydrophobicContact CB-CG1 4.33Å; L253-I281 HydrophobicContact CD2-CG1 4.4Å; L253-I281 HydrophobicContact CD2-CG2 4.3Å; L277-I281 HydrophobicContact CD1-CD1 3.92Å; L277-I281 HydrophobicContact CD1-CG1 4.43Å; L277-I281 HydrophobicContact CG-CD1 4.36Å; I281-L664 HydrophobicContact CB-CD1 3.82Å; I281-L664 HydrophobicContact CB-CG 4.16Å; I281-L664 HydrophobicContact CG2-CD1 3.51Å; I281-L664 HydrophobicContact CG2-CG 4Å; I281-L664 PolarHBondContact O-N 2.98Å; I281-L693 HydrophobicContact CD1-CD1 3.6Å
282K93Very high84.3Confident90 Ų9061.5 Ų61.539%0.39129%0.291SS..EExtended strand (participates in β ladder)trans-129.6155.6174.5-56.3180-178.6176.50109.6S252 V662S252-K282 PolarHBondContact N-O 2.89Å; S252-K282 PolarHBondContact O-N 2.76Å; K282-V662 CarbonylContact C-O 3.5Å; K282-V662 WeakPolarHBondContact CA-O 3.49Å; K282-V662 WeakPolarHBondContact CB-O 3.34Å
283I93.8Very high84.1Confident1 Ų158.8 Ų58.81%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-123.2137.7173.2-54.5-170.7000109L249 L250 L251 A285 V662 L664 F682 I686 I689L249-I283 HydrophobicContact CD2-CD1 4.34Å; L250-I283 WeakPolarHBondContact O-CA 3.39Å; L251-I283 HydrophobicContact CD2-CD1 3.76Å; L251-I283 HydrophobicContact CD2-CG1 3.7Å; I283-A285 PolarHBondContact O-N 2.9Å; I283-V662 PolarHBondContact N-O 3.3Å; I283-V662 PolarHBondContact O-N 3.32Å; I283-L664 HydrophobicContact CD1-CD2 3.86Å; I283-L664 HydrophobicContact CG1-CD2 3.83Å; I283-F682 HydrophobicContact CB-CZ 4.39Å; I283-F682 HydrophobicContact CG2-CE2 4.06Å; I283-F682 HydrophobicContact CG2-CZ 4.28Å; I283-I686 HydrophobicContact CD1-CD1 4.11Å; I283-I686 HydrophobicContact CD1-CG1 3.71Å; I283-I689 HydrophobicContact CD1-CD1 3.9Å
284L92.9Very high84.3Confident0 Ų053.3 Ų53.30%025%0.254CS..EExtended strand (participates in β ladder)trans-75.8109.4167.7-164.972.8000108.8F221 I223 L250 I296 I328 V649 V659F221-L284 HydrophobicContact CB-CD1 4.35Å; F221-L284 HydrophobicContact CD2-CB 4.24Å; F221-L284 HydrophobicContact CE2-CB 4.45Å; F221-L284 HydrophobicContact CG-CD2 4.44Å; I223-L284 HydrophobicContact CD1-CD1 3.62Å; I223-L284 HydrophobicContact CG1-CD1 3.87Å; L250-L284 HydrophobicContact CB-CB 3.94Å; L250-L284 HydrophobicContact CD1-CD2 3.88Å; L250-L284 PolarHBondContact O-N 2.97Å; L284-I296 HydrophobicContact CB-CD1 4.5Å; L284-I296 HydrophobicContact CD2-CD1 3.88Å; L284-I296 HydrophobicContact CG-CD1 3.96Å; L284-I328 HydrophobicContact CD2-CD1 3.87Å; L284-V649 HydrophobicContact CD2-CG1 3.97Å; L284-V649 HydrophobicContact CD2-CG2 3.9Å; L284-V659 HydrophobicContact CD1-CG1 3.75Å; L284-V659 HydrophobicContact CD2-CG1 4.35Å; L284-V659 HydrophobicContact CG-CG1 3.89Å
285A91Very high84.7Confident0 Ų050.1 Ų50.10%024%0.242CC..EExtended strand (participates in β ladder)trans-109.6152.8-179.400000110.7I283 L293 K294 V659 Q660 V662 F682I283-A285 PolarHBondContact O-N 2.9Å; A285-L293 HydrophobicContact CB-CB 4.13Å; A285-L293 HydrophobicContact CB-CD2 4.32Å; A285-K294 CarbonylContact C-O 3.55Å; A285-K294 VanDerWaalsContact CA-O 3.22Å; A285-K294 WeakPolarHBondContact CA-O 3.31Å; A285-K294 VanDerWaalsContact CB-O 3.32Å; A285-K294 WeakPolarHBondContact CB-O 3.32Å; A285-V659 WeakPolarHBondContact O-CA 3.13Å; A285-Q660 PolarHBondContact N-O 2.94Å; A285-Q660 PolarHBondContact O-N 3.38Å; A285-V662 HydrophobicContact CB-CG2 3.96Å; A285-F682 HydrophobicContact CB-CE1 4.47Å; A285-F682 HydrophobicContact CB-CZ 3.91Å
286A88Confident85.1Confident11 Ų1149.7 Ų49.79%0.09124%0.238CC..EExtended strand (participates in β ladder)trans-133.315117300000111.5K294 I296 F657 T658 V659A286-K294 PolarHBondContact N-O 2.82Å; A286-K294 PolarHBondContact O-N 3.02Å; A286-I296 HydrophobicContact CB-CD1 4.22Å; A286-I296 HydrophobicContact CB-CG1 3.85Å; A286-F657 HydrophobicContact CB-CD2 4.33Å; A286-T658 WeakPolarHBondContact CA-O 3.49Å; A286-V659 HydrophobicContact CB-CG2 4.35Å
287G81.7Confident85.3Confident7 Ų748.3 Ų48.37%0.07223%0.23CC..EExtended strand (participates in β ladder)trans-161.3137.7-178.400000111.3F657 T658G287-F657 CarbonylContact O-C 3.56Å; G287-F657 VanDerWaalsContact O-CA 3.29Å; G287-F657 WeakPolarHBondContact O-CA 3.35Å; G287-T658 PolarHBondContact N-O 3.26Å; G287-T658 PolarHBondContact O-N 3.08Å; G287-T658 PolarHBondContact O-OG1 3.45Å
288K79.3Confident85.4Confident106 Ų10648 Ų4846%0.46123%0.232SC..EExtended strand (participates in β ladder)trans-66.4159.8177.7-150.7175.1-177.1176.30110.5D290 E291 D656K288-D290 PolarHBondContact O-N 2.87Å; K288-D290 VanDerWaalsContact O-N 3.1Å; K288-E291 HydrophobicContact CB-CB 3.95Å; K288-E291 HydrophobicContact CB-CG 4.21Å; K288-E291 CarbonylContact O-C 3.57Å; K288-E291 PolarHBondContact O-N 3.35Å; K288-D656 CarbonylContact C-O 3.36Å; K288-D656 VanDerWaalsContact CA-O 3.28Å; K288-D656 WeakPolarHBondContact CA-O 3.14Å; K288-D656 VanDerWaalsContact CG-O 3.22Å; K288-D656 WeakPolarHBondContact CG-O 3.21Å
289V69.2Low85.5Confident110 Ų11046.1 Ų46.167%0.66723%0.231SC*.THydrogen-bonded Turntrans-53.1-35.1178.5173.70000113.1D656V289-D656 HydrophobicContact CG2-CB 4.08Å; V289-D656 PolarHBondContact N-O 3.28Å
290D65.4Low85.7Confident107 Ų10741.7 Ų41.757%0.57221%0.211SC*.THydrogen-bonded Turntrans-92.4-0.9176.6-96.833.8000114.3K16 K288K16-D290 WeakPolarHBondContact CE-OD2 3.4Å; K16-D290 IonicContact NZ-OD2 2.75Å; K16-D290 PolarHBondContact NZ-OD2 3.22Å; K288-D290 PolarHBondContact O-N 2.87Å; K288-D290 VanDerWaalsContact O-N 3.1Å
291E70.9Confident85.6Confident96 Ų9639 Ų3945%0.44920%0.203SC..SBendtrans-123.1142.2-174.9-72.5-169.7-12100113.1K288 K294K288-E291 HydrophobicContact CB-CB 3.95Å; K288-E291 HydrophobicContact CB-CG 4.21Å; K288-E291 CarbonylContact O-C 3.57Å; K288-E291 PolarHBondContact O-N 3.35Å; E291-K294 IonicContact OE2-NZ 2.72Å; E291-K294 PolarHBondContact OE2-NZ 3.02Å
292R77.1Confident85.3Confident84 Ų8447.7 Ų47.732%0.31724%0.236SC..  trans-64.6153.1173.2-64.1-159.9-172.7-92.531.1111.6K294 D673 D676 S679R292-K294 PolarHBondContact O-N 2.66Å; R292-D673 WeakPolarHBondContact CD-O 3.38Å; R292-D673 IonicContact CZ-OD1 3.8Å; R292-D673 PolarHBondContact NE-O 3.11Å; R292-D673 VanDerWaalsContact NH1-CG 3.33Å; R292-D673 IonicContact NH1-OD1 2.67Å; R292-D673 PolarHBondContact NH1-OD1 3.17Å; R292-D673 PolarHBondContact NH2-O 3.33Å; R292-D673 IonicContact NH2-OD1 2.68Å; R292-D673 PolarHBondContact NH2-OD1 3.37Å; R292-D676 WeakPolarHBondContact CD-OD2 3.48Å; R292-D676 IonicContact CZ-OD2 3.37Å; R292-D676 IonicContact NE-OD2 2.74Å; R292-D676 PolarHBondContact NE-OD2 2.95Å; R292-D676 IonicContact NH2-OD2 2.56Å; R292-S679 WeakPolarHBondContact CB-OG 3.24Å
293L81.5Confident85.1Confident23 Ų2350.4 Ų50.412%0.1226%0.255CS..  trans-57129.5174.1-71.9168.8000111A285 Q660 V662 F674A285-L293 HydrophobicContact CB-CB 4.13Å; A285-L293 HydrophobicContact CB-CD2 4.32Å; L293-Q660 HydrophobicContact CD1-CB 4.33Å; L293-V662 HydrophobicContact CD1-CG2 4.03Å; L293-F674 HydrophobicContact CB-CE1 3.76Å; L293-F674 HydrophobicContact CB-CZ 4.13Å; L293-F674 HydrophobicContact CD1-CZ 4.09Å
294K86.4Confident84.9Confident54 Ų5455.2 Ų55.224%0.23528%0.28CS..BIsolated β-bridgetrans-128.1176.9178.9-69167.5-178.5174.50109.4A285 A286 E291 R292A285-K294 CarbonylContact C-O 3.55Å; A285-K294 VanDerWaalsContact CA-O 3.22Å; A285-K294 WeakPolarHBondContact CA-O 3.31Å; A285-K294 VanDerWaalsContact CB-O 3.32Å; A285-K294 WeakPolarHBondContact CB-O 3.32Å; A286-K294 PolarHBondContact N-O 2.82Å; A286-K294 PolarHBondContact O-N 3.02Å; E291-K294 IonicContact OE2-NZ 2.72Å; E291-K294 PolarHBondContact OE2-NZ 3.02Å; R292-K294 PolarHBondContact O-N 2.66Å
295A90.7Very high84.8Confident4 Ų455.4 Ų55.43%0.03328%0.281CS..  trans-63.5161.116400000110.9Y247 L249 Y392 F682Y247-A295 HydrophobicContact CD1-CB 4.13Å; Y247-A295 WeakPolarHBondContact CD1-O 3.4Å; L249-A295 HydrophobicContact CD2-CB 3.99Å; A295-Y392 HydrophobicContact CB-CD1 4.14Å; A295-Y392 HydrophobicContact CB-CE1 3.5Å; A295-F682 HydrophobicContact CB-CD2 4.09Å; A295-F682 HydrophobicContact CB-CE2 4.3Å
296I91.6Very high84.7Confident1 Ų156.6 Ų56.61%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-86.5125.4-179-55.5-173.1000108.5Y247 V248 L250 L284 A286 L327 I328Y247-I296 CarbonylContact C-O 3.1Å; Y247-I296 WeakPolarHBondContact CA-O 3.44Å; V248-I296 PolarHBondContact N-O 3.43Å; L250-I296 HydrophobicContact CD1-CD1 4.33Å; L284-I296 HydrophobicContact CB-CD1 4.5Å; L284-I296 HydrophobicContact CD2-CD1 3.88Å; L284-I296 HydrophobicContact CG-CD1 3.96Å; A286-I296 HydrophobicContact CB-CD1 4.22Å; A286-I296 HydrophobicContact CB-CG1 3.85Å; I296-L327 HydrophobicContact CG2-CD1 4.13Å; I296-I328 HydrophobicContact CD1-CD1 3.79Å; I296-I328 HydrophobicContact CD1-CG1 4.47Å; I296-I328 HydrophobicContact CD1-CG2 3.93Å; I296-I328 HydrophobicContact CG2-CG1 4.49Å; I296-I328 HydrophobicContact CG2-CG2 4.5Å
297G91.3Very high84.7Confident14 Ų1459.7 Ų59.714%0.14431%0.312CS..EExtended strand (participates in β ladder)trans165.8-178.6-172.200000113.5A246 Y247A246-G297 CarbonylContact O-C 3.53Å; A246-G297 WeakPolarHBondContact O-CA 3.47Å; Y247-G297 VanDerWaalsContact CD1-CA 3.44Å; Y247-G297 VanDerWaalsContact CE1-C 3.49Å
298G90.3Very high84.8Confident13 Ų1362.7 Ų62.713%0.13433%0.327CS..EExtended strand (participates in β ladder)trans179.4-175.7-174.700000113.1A245 A246A245-G298 WeakPolarHBondContact CA-O 3.49Å; A246-G298 PolarHBondContact N-O 3.15Å; A246-G298 PolarHBondContact O-N 2.89Å
299S90.4Very high85.1Confident43 Ų4358.1 Ų58.130%0.30131%0.308SS..EExtended strand (participates in β ladder)trans-73.2148.2-174.5-410000113.4S242 R322S242-S299 VanDerWaalsContact OG-CB 3.27Å; S242-S299 WeakPolarHBondContact OG-CB 3.27Å; S299-R322 PolarHBondContact O-NH2 3.02Å
300W92.1Very high85.7Confident35 Ų3556.6 Ų56.613%0.13331%0.307CS..  trans-66.4138.6170.8166.458.3000111.5S242 F244 R302 G306 P309 T315 T319S242-W300 VanDerWaalsContact CB-O 3.26Å; S242-W300 WeakPolarHBondContact CB-O 3.22Å; S242-W300 PolarHBondContact OG-O 3.41Å; F244-W300 HydrophobicContact CB-CB 4.03Å; F244-W300 HydrophobicContact CB-CE3 4.47Å; F244-W300 HydrophobicContact CD2-CE3 4.4Å; F244-W300 WeakPolarHBondContact O-CB 3.21Å; F244-W300 PolarHBondContact O-N 3.18Å; W300-R302 HydrophobicContact CH2-CB 4.02Å; W300-R302 HydrophobicContact CH2-CG 4.29Å; W300-R302 HydrophobicContact CZ2-CB 3.66Å; W300-R302 HydrophobicContact CZ2-CG 3.96Å; W300-G306 WeakPolarHBondContact CZ2-O 3.34Å; W300-G306 PolarHBondContact NE1-O 3.47Å; W300-P309 HydrophobicContact CD2-CG 3.82Å; W300-P309 HydrophobicContact CE3-CG 4.21Å; W300-P309 HydrophobicContact CG-CG 3.93Å; W300-T315 VanDerWaalsContact CD1-CG2 3.45Å; W300-T315 HydrophobicContact CG-CG2 4.46Å; W300-T319 HydrophobicContact CB-CG2 4.34Å
301S88.5Confident86.5Confident19 Ų1957.2 Ų57.213%0.13331%0.314CS..  trans-123.8122.9167.457.70000111.5D303 L304 D305 R322S301-D303 PolarHBondContact O-N 2.85Å; S301-L304 PolarHBondContact O-N 3.23Å; S301-D305 PolarHBondContact N-OD2 3.29Å; S301-D305 WeakPolarHBondContact O-CB 3.25Å; S301-D305 PolarHBondContact O-N 3.42Å; S301-R322 PolarHBondContact OG-NH2 2.66Å
302R86.6Confident87.3Confident183 Ų18355.5 Ų55.569%0.69131%0.309SS*.Hα-helixtrans-54.3-38.3-176.5-173.7176.3-176.7157.91.9113.2W300 G306W300-R302 HydrophobicContact CH2-CB 4.02Å; W300-R302 HydrophobicContact CH2-CG 4.29Å; W300-R302 HydrophobicContact CZ2-CB 3.66Å; W300-R302 HydrophobicContact CZ2-CG 3.96Å; R302-G306 PolarHBondContact O-N 3.5Å
303D88Confident87.7Confident147 Ų14755.3 Ų55.379%0.78632%0.318SS*.Hα-helixtrans-80.9-18.2-171.7-42.4-58.9000113.5S301S301-D303 PolarHBondContact O-N 2.85Å
304L89.8Confident88.2Confident103 Ų10359.4 Ų59.454%0.53934%0.337SS..Hα-helixtrans-113.7-31.9-176.8-53.4-179.8000113.2S301S301-L304 PolarHBondContact O-N 3.23Å
305D90.7Very high88.5Confident4 Ų456.8 Ų56.82%0.02133%0.325CS..Hα-helixtrans-100.6-23.7-173.7-57.8-41000113.4S301 T315 N318 T319 R322S301-D305 PolarHBondContact N-OD2 3.29Å; S301-D305 WeakPolarHBondContact O-CB 3.25Å; S301-D305 PolarHBondContact O-N 3.42Å; D305-T315 HydrophobicContact CB-CG2 3.88Å; D305-N318 HydrophobicContact CB-CB 4.2Å; D305-N318 WeakPolarHBondContact O-CB 3Å; D305-N318 PolarHBondContact O-ND2 2.99Å; D305-T319 WeakPolarHBondContact OD1-CA 3.19Å; D305-T319 PolarHBondContact OD1-N 3.47Å; D305-T319 PolarHBondContact OD2-OG1 2.78Å; D305-T319 VanDerWaalsContact OD2-OG1 3.13Å; D305-R322 IonicContact OD1-CZ 2.72Å; D305-R322 IonicContact OD1-NE 3.66Å; D305-R322 PolarHBondContact OD1-NE 2.87Å; D305-R322 IonicContact OD1-NH2 2.72Å; D305-R322 IonicContact OD2-CZ 3.81Å; D305-R322 IonicContact OD2-NE 3.28Å; D305-R322 PolarHBondContact OD2-NE 2.65Å; D305-R322 IonicContact OD2-NH2 2.7Å; D305-R322 PolarHBondContact OD2-NH2 3.24Å
306G89.1Confident88.6Confident24 Ų2456.7 Ų56.725%0.24732%0.324CS..  trans113.5-163.2-179.600000115.1W300 R302W300-G306 WeakPolarHBondContact CZ2-O 3.34Å; W300-G306 PolarHBondContact NE1-O 3.47Å; R302-G306 PolarHBondContact O-N 3.5Å
307P87.9Confident88.8Confident76 Ų7657 Ų5749%0.49433%0.326SS..SBendtrans-70163.8-170.831.3-37.2000112.8N312 T315P307-N312 HydrophobicContact CG-CB 4.29Å; P307-T315 VanDerWaalsContact O-CB 3.32Å; P307-T315 WeakPolarHBondContact O-CB 3.18Å; P307-T315 WeakPolarHBondContact O-CG2 3.39Å; P307-T315 PolarHBondContact O-OG1 2.77Å
308D83.8Confident89Confident71 Ų7159.8 Ų59.838%0.3834%0.338SS..  trans-40.3122.4-174.4-168.5-33.6000113.7A310 T311 N312D308-A310 PolarHBondContact O-N 2.98Å; D308-A310 VanDerWaalsContact OD1-CB 3.31Å; D308-A310 WeakPolarHBondContact OD1-CB 3.38Å; D308-A310 PolarHBondContact OD1-N 3.35Å; D308-T311 WeakPolarHBondContact O-CA 3.5Å; D308-T311 PolarHBondContact O-N 2.89Å; D308-N312 PolarHBondContact O-N 3.25Å
309P86.2Confident89.2Confident9 Ų959.2 Ų59.26%0.05833%0.331CS..THydrogen-bonded Turntrans-49.5-25.3173.6-34.339.9000116.6F244 W300 T311 N312 T315 L316F244-P309 HydrophobicContact CB-CB 4.32Å; F244-P309 HydrophobicContact CB-CG 3.94Å; F244-P309 HydrophobicContact CD1-CB 3.75Å; F244-P309 HydrophobicContact CD1-CG 4.31Å; F244-P309 HydrophobicContact CD2-CB 3.78Å; F244-P309 HydrophobicContact CD2-CG 3.77Å; F244-P309 HydrophobicContact CE1-CB 3.91Å; F244-P309 HydrophobicContact CE2-CB 3.93Å; F244-P309 HydrophobicContact CE2-CG 4.33Å; F244-P309 HydrophobicContact CG-CB 3.69Å; F244-P309 HydrophobicContact CG-CG 3.76Å; F244-P309 HydrophobicContact CZ-CB 4Å; W300-P309 HydrophobicContact CD2-CG 3.82Å; W300-P309 HydrophobicContact CE3-CG 4.21Å; W300-P309 HydrophobicContact CG-CG 3.93Å; P309-T311 VanDerWaalsContact C-N 3.32Å; P309-N312 WeakPolarHBondContact CA-O 3.44Å; P309-N312 CarbonylContact O-C 3.52Å; P309-T315 HydrophobicContact CG-CG2 4.09Å; P309-L316 HydrophobicContact CB-CD1 4.09Å; P309-L316 HydrophobicContact CB-CD2 3.77Å; P309-L316 HydrophobicContact CB-CG 3.78Å; P309-L316 HydrophobicContact CG-CD2 3.71Å; P309-L316 HydrophobicContact CG-CG 4.11Å
310A81.6Confident89.4Confident79 Ų7957.1 Ų57.165%0.65332%0.317SS*.THydrogen-bonded Turntrans-70.4-28.5173.400000112.8F244 D308F244-A310 HydrophobicContact CZ-CB 4.2Å; D308-A310 PolarHBondContact O-N 2.98Å; D308-A310 VanDerWaalsContact OD1-CB 3.31Å; D308-A310 WeakPolarHBondContact OD1-CB 3.38Å; D308-A310 PolarHBondContact OD1-N 3.35Å
311T82.8Confident89.6Confident119 Ų11956.7 Ų56.773%0.7332%0.317SS*.THydrogen-bonded Turntrans-93-38.3177.8-54.60000111.7D308 P309D308-T311 WeakPolarHBondContact O-CA 3.5Å; D308-T311 PolarHBondContact O-N 2.89Å; P309-T311 VanDerWaalsContact C-N 3.32Å
312N86.7Confident89.8Confident61 Ų6157.6 Ų57.633%0.32632%0.318SS..  trans-131.3107177-174.4-1.5000111.9P307 D308 P309 Q314 T315P307-N312 HydrophobicContact CG-CB 4.29Å; D308-N312 PolarHBondContact O-N 3.25Å; P309-N312 WeakPolarHBondContact CA-O 3.44Å; P309-N312 CarbonylContact O-C 3.52Å; N312-Q314 PolarHBondContact O-N 2.85Å; N312-Q314 WeakPolarHBondContact OD1-CB 3.29Å; N312-Q314 PolarHBondContact OD1-N 2.81Å; N312-T315 WeakPolarHBondContact O-CB 3.42Å; N312-T315 PolarHBondContact O-N 3.42Å; N312-T315 PolarHBondContact O-OG1 2.89Å
313P86.4Confident90Very high80 Ų8049.4 Ų49.452%0.51929%0.288SS..THydrogen-bonded Turntrans-67.2-18.9-179.527.7-34.7000113.9T315 L316P313-T315 PolarHBondContact O-N 2.92Å; P313-L316 PolarHBondContact O-N 2.96Å
314Q91.3Very high90.2Very high108 Ų10842.4 Ų42.451%0.50525%0.25SS..Hα-helixtrans-68.6-21176-69.6-707.500112.8N312 L316 V317 N318N312-Q314 PolarHBondContact O-N 2.85Å; N312-Q314 WeakPolarHBondContact OD1-CB 3.29Å; N312-Q314 PolarHBondContact OD1-N 2.81Å; Q314-L316 PolarHBondContact O-N 3.03Å; Q314-L316 VanDerWaalsContact O-N 3.15Å; Q314-V317 WeakPolarHBondContact O-CA 3.38Å; Q314-V317 WeakPolarHBondContact O-CB 3.48Å; Q314-V317 PolarHBondContact O-N 3.14Å; Q314-N318 PolarHBondContact O-N 3.08Å
315T93.3Very high90.2Very high0 Ų041.4 Ų41.40%024%0.242CC..Hα-helixtrans-56.5-32172.9-57.60000111.7W300 D305 P307 P309 N312 P313 N318 T319W300-T315 VanDerWaalsContact CD1-CG2 3.45Å; W300-T315 HydrophobicContact CG-CG2 4.46Å; D305-T315 HydrophobicContact CB-CG2 3.88Å; P307-T315 VanDerWaalsContact O-CB 3.32Å; P307-T315 WeakPolarHBondContact O-CB 3.18Å; P307-T315 WeakPolarHBondContact O-CG2 3.39Å; P307-T315 PolarHBondContact O-OG1 2.77Å; P309-T315 HydrophobicContact CG-CG2 4.09Å; N312-T315 WeakPolarHBondContact O-CB 3.42Å; N312-T315 PolarHBondContact O-N 3.42Å; N312-T315 PolarHBondContact O-OG1 2.89Å; P313-T315 PolarHBondContact O-N 2.92Å; T315-N318 WeakPolarHBondContact O-CB 3.5Å; T315-N318 PolarHBondContact O-N 2.82Å; T315-T319 PolarHBondContact O-N 3.33Å; T315-T319 PolarHBondContact O-OG1 2.67Å
316L93.4Very high90Very high1 Ų144.6 Ų44.61%0.00526%0.256CS..Hα-helixtrans-74.7-27176.2-61.5171.4000113F244 A246 P309 P313 Q314 T319 A320 V391 F393F244-L316 HydrophobicContact CB-CD2 3.98Å; F244-L316 HydrophobicContact CD1-CD2 4.34Å; F244-L316 HydrophobicContact CG-CD2 4.45Å; A246-L316 HydrophobicContact CB-CB 4.35Å; A246-L316 VanDerWaalsContact CB-O 3.27Å; A246-L316 WeakPolarHBondContact CB-O 3.11Å; P309-L316 HydrophobicContact CB-CD1 4.09Å; P309-L316 HydrophobicContact CB-CD2 3.77Å; P309-L316 HydrophobicContact CB-CG 3.78Å; P309-L316 HydrophobicContact CG-CD2 3.71Å; P309-L316 HydrophobicContact CG-CG 4.11Å; P313-L316 PolarHBondContact O-N 2.96Å; Q314-L316 PolarHBondContact O-N 3.03Å; Q314-L316 VanDerWaalsContact O-N 3.15Å; L316-T319 WeakPolarHBondContact O-CB 3.37Å; L316-A320 WeakPolarHBondContact O-CB 3.39Å; L316-A320 PolarHBondContact O-N 3.08Å; L316-V391 HydrophobicContact CD1-CB 4.39Å; L316-V391 HydrophobicContact CD1-CG2 3.87Å; L316-F393 HydrophobicContact CB-CE2 3.88Å; L316-F393 HydrophobicContact CB-CZ 3.88Å
317V94.7Very high89.9Confident9 Ų945.1 Ų45.16%0.05525%0.253CS..Hα-helixtrans-71.7-43170.9173.10000109.7Q314 T319 A320 I321 W338 F393Q314-V317 WeakPolarHBondContact O-CA 3.38Å; Q314-V317 WeakPolarHBondContact O-CB 3.48Å; Q314-V317 PolarHBondContact O-N 3.14Å; V317-T319 VanDerWaalsContact C-N 3.32Å; V317-T319 PolarHBondContact O-N 3.07Å; V317-A320 WeakPolarHBondContact O-CB 3.45Å; V317-A320 PolarHBondContact O-N 3.26Å; V317-I321 HydrophobicContact CG1-CD1 3.8Å; V317-I321 HydrophobicContact CG1-CG1 4.44Å; V317-I321 VanDerWaalsContact O-CG1 3.27Å; V317-I321 WeakPolarHBondContact O-CG1 3.19Å; V317-I321 PolarHBondContact O-N 3.32Å; V317-W338 HydrophobicContact CB-CD2 4.41Å; V317-W338 HydrophobicContact CB-CE3 4.49Å; V317-W338 HydrophobicContact CG1-CD2 3.57Å; V317-W338 VanDerWaalsContact CG1-CE2 3.49Å; V317-W338 HydrophobicContact CG1-CE3 4Å; V317-W338 HydrophobicContact CG1-CG 3.92Å; V317-W338 HydrophobicContact CG1-CH2 4.26Å; V317-W338 HydrophobicContact CG1-CZ2 3.85Å; V317-W338 HydrophobicContact CG1-CZ3 4.33Å; V317-W338 HydrophobicContact CG2-CB 4.16Å; V317-W338 HydrophobicContact CG2-CD2 4.08Å; V317-W338 HydrophobicContact CG2-CE3 4.08Å; V317-W338 HydrophobicContact CG2-CG 4.13Å; V317-F393 HydrophobicContact CG2-CE1 4.04Å; V317-F393 HydrophobicContact CG2-CZ 4.18Å
318N95.2Very high89.9Confident72 Ų7241.5 Ų41.539%0.38523%0.23SC..Hα-helixtrans-57.2-45.5171-63.6-11.9000111.5D305 Q314 T315 A320 I321 R322D305-N318 HydrophobicContact CB-CB 4.2Å; D305-N318 WeakPolarHBondContact O-CB 3Å; D305-N318 PolarHBondContact O-ND2 2.99Å; Q314-N318 PolarHBondContact O-N 3.08Å; T315-N318 WeakPolarHBondContact O-CB 3.5Å; T315-N318 PolarHBondContact O-N 2.82Å; N318-A320 VanDerWaalsContact C-N 3.35Å; N318-A320 PolarHBondContact O-N 2.68Å; N318-I321 PolarHBondContact O-N 2.83Å; N318-R322 WeakPolarHBondContact O-CB 3.35Å; N318-R322 PolarHBondContact O-N 3.09Å
319T94.8Very high90Very high0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-54.4-49.4174.3-52.70000111.3A246 W300 D305 T315 L316 V317 R322 V323A246-T319 HydrophobicContact CB-CG2 3.86Å; W300-T319 HydrophobicContact CB-CG2 4.34Å; D305-T319 WeakPolarHBondContact OD1-CA 3.19Å; D305-T319 PolarHBondContact OD1-N 3.47Å; D305-T319 PolarHBondContact OD2-OG1 2.78Å; D305-T319 VanDerWaalsContact OD2-OG1 3.13Å; T315-T319 PolarHBondContact O-N 3.33Å; T315-T319 PolarHBondContact O-OG1 2.67Å; L316-T319 WeakPolarHBondContact O-CB 3.37Å; V317-T319 VanDerWaalsContact C-N 3.32Å; V317-T319 PolarHBondContact O-N 3.07Å; T319-R322 PolarHBondContact O-N 3.14Å; T319-V323 WeakPolarHBondContact O-CB 3.42Å; T319-V323 VanDerWaalsContact O-CG2 3.31Å; T319-V323 WeakPolarHBondContact O-CG2 3.19Å; T319-V323 PolarHBondContact O-N 3.03Å
320A95.2Very high90.3Very high0 Ų037.7 Ų37.70%021%0.209CC..Hα-helixtrans-62.8-43.9178.400000112.6A246 V248 L316 V317 N318 C324 W338A246-A320 HydrophobicContact CB-CB 4.26Å; V248-A320 HydrophobicContact CG2-CB 3.67Å; L316-A320 WeakPolarHBondContact O-CB 3.39Å; L316-A320 PolarHBondContact O-N 3.08Å; V317-A320 WeakPolarHBondContact O-CB 3.45Å; V317-A320 PolarHBondContact O-N 3.26Å; N318-A320 VanDerWaalsContact C-N 3.35Å; N318-A320 PolarHBondContact O-N 2.68Å; A320-C324 WeakPolarHBondContact O-CB 3.29Å; A320-C324 PolarHBondContact O-N 2.92Å; A320-C324 PolarHBondContact O-SG 3.48Å; A320-W338 HydrophobicContact CB-CH2 3.86Å; A320-W338 HydrophobicContact CB-CZ3 3.65Å
321I95Very high90.7Very high25 Ų2534.5 Ų34.513%0.12818%0.181CC..Hα-helixtrans-61-50.6176.5-67.1161.5000110.5V317 N318 V323 C324 K325 L332 W338V317-I321 HydrophobicContact CG1-CD1 3.8Å; V317-I321 HydrophobicContact CG1-CG1 4.44Å; V317-I321 VanDerWaalsContact O-CG1 3.27Å; V317-I321 WeakPolarHBondContact O-CG1 3.19Å; V317-I321 PolarHBondContact O-N 3.32Å; N318-I321 PolarHBondContact O-N 2.83Å; I321-V323 PolarHBondContact O-N 3.08Å; I321-C324 PolarHBondContact O-N 2.58Å; I321-K325 WeakPolarHBondContact O-CB 3.43Å; I321-K325 PolarHBondContact O-N 2.84Å; I321-L332 HydrophobicContact CG1-CB 4.06Å; I321-W338 HydrophobicContact CD1-CZ2 4.04Å; I321-W338 HydrophobicContact CG1-CH2 3.9Å; I321-W338 HydrophobicContact CG1-CZ2 3.6Å
322R94Very high91.3Very high39 Ų3928.8 Ų28.815%0.14715%0.146CC..Hα-helixtrans-55.4-52.9177.9175.2177.758.382.70111S299 S301 D305 N318 T319 K325 Q326S299-R322 PolarHBondContact O-NH2 3.02Å; S301-R322 PolarHBondContact OG-NH2 2.66Å; D305-R322 IonicContact OD1-CZ 2.72Å; D305-R322 IonicContact OD1-NE 3.66Å; D305-R322 PolarHBondContact OD1-NE 2.87Å; D305-R322 IonicContact OD1-NH2 2.72Å; D305-R322 IonicContact OD2-CZ 3.81Å; D305-R322 IonicContact OD2-NE 3.28Å; D305-R322 PolarHBondContact OD2-NE 2.65Å; D305-R322 IonicContact OD2-NH2 2.7Å; D305-R322 PolarHBondContact OD2-NH2 3.24Å; N318-R322 WeakPolarHBondContact O-CB 3.35Å; N318-R322 PolarHBondContact O-N 3.09Å; T319-R322 PolarHBondContact O-N 3.14Å; R322-K325 PolarHBondContact O-N 2.83Å; R322-Q326 VanDerWaalsContact O-CB 3.27Å; R322-Q326 WeakPolarHBondContact O-CB 3.21Å; R322-Q326 PolarHBondContact O-N 2.85Å
323V91Very high91.5Very high10 Ų1029 Ų296%0.06115%0.152CC..Hα-helixtrans-69.1-38.7-174177.10000111.7T319 I321 Q326 L327T319-V323 WeakPolarHBondContact O-CB 3.42Å; T319-V323 VanDerWaalsContact O-CG2 3.31Å; T319-V323 WeakPolarHBondContact O-CG2 3.19Å; T319-V323 PolarHBondContact O-N 3.03Å; I321-V323 PolarHBondContact O-N 3.08Å; V323-Q326 PolarHBondContact O-N 2.94Å; V323-L327 HydrophobicContact CG1-CD1 3.58Å; V323-L327 HydrophobicContact CG1-CG 4.08Å; V323-L327 WeakPolarHBondContact O-CB 3.36Å; V323-L327 WeakPolarHBondContact O-CG 3.47Å; V323-L327 PolarHBondContact O-N 3.48Å
324C92Very high91.7Very high0 Ų030.8 Ų30.80%015%0.149CC..Hα-helixtrans-63.7-41.9172.3-76.70000112.6A320 I321 Q326 I328 G329 L330 L332A320-C324 WeakPolarHBondContact O-CB 3.29Å; A320-C324 PolarHBondContact O-N 2.92Å; A320-C324 PolarHBondContact O-SG 3.48Å; I321-C324 PolarHBondContact O-N 2.58Å; C324-Q326 VanDerWaalsContact C-N 3.33Å; C324-Q326 PolarHBondContact O-N 3.42Å; C324-I328 HydrophobicContact CB-CG1 4.46Å; C324-I328 WeakPolarHBondContact O-CG1 3.49Å; C324-I328 PolarHBondContact O-N 2.83Å; C324-G329 PolarHBondContact O-N 3.33Å; C324-L330 CarbonylContact C-O 3.54Å; C324-L330 VanDerWaalsContact C-O 3.25Å; C324-L330 WeakPolarHBondContact CB-O 3.27Å; C324-L330 PolarHBondContact O-N 2.79Å; C324-L332 HydrophobicContact CB-CD1 3.85Å; C324-L332 HydrophobicContact CB-CG 4.27Å
325K90Very high91.7Very high83 Ų8326.1 Ų26.136%0.36113%0.128SC..Hα-helixtrans-68.2-31.5177.9-171.5173-177.7166.50112.6I321 R322 L330 D331 V425 K652I321-K325 WeakPolarHBondContact O-CB 3.43Å; I321-K325 PolarHBondContact O-N 2.84Å; R322-K325 PolarHBondContact O-N 2.83Å; K325-L330 WeakPolarHBondContact CA-O 3.23Å; K325-L330 PolarHBondContact N-O 3.17Å; K325-L330 VanDerWaalsContact N-O 3.12Å; K325-D331 HydrophobicContact CD-CB 4.13Å; K325-D331 WeakPolarHBondContact CD-OD2 3.45Å; K325-D331 VanDerWaalsContact CE-OD2 3.25Å; K325-D331 WeakPolarHBondContact CE-OD2 3.43Å; K325-D331 HydrophobicContact CG-CB 4.41Å; K325-D331 IonicContact NZ-OD2 3.17Å; K325-D331 PolarHBondContact NZ-OD2 3.16Å; K325-V425 HydrophobicContact CG-CG1 4.24Å; K325-V425 HydrophobicContact CG-CG2 4.4Å; K325-K652 PolarHBondContact O-NZ 3.49Å
326Q86.7Confident91.4Very high71 Ų7131 Ų3133%0.33216%0.158SC..Hα-helixtrans-78.1-44.4177.2-173172.99.300112.8R322 V323 C324 K652R322-Q326 VanDerWaalsContact O-CB 3.27Å; R322-Q326 WeakPolarHBondContact O-CB 3.21Å; R322-Q326 PolarHBondContact O-N 2.85Å; V323-Q326 PolarHBondContact O-N 2.94Å; C324-Q326 VanDerWaalsContact C-N 3.33Å; C324-Q326 PolarHBondContact O-N 3.42Å; Q326-K652 VanDerWaalsContact O-CD 3.29Å; Q326-K652 WeakPolarHBondContact O-CD 3.36Å
327L85.5Confident91.3Very high35 Ų3536 Ų3618%0.18318%0.182CC..Hα-helixtrans-79.8-58.7-179.2-65.1176.1000112.2I296 V323 K652 F657I296-L327 HydrophobicContact CG2-CD1 4.13Å; V323-L327 HydrophobicContact CG1-CD1 3.58Å; V323-L327 HydrophobicContact CG1-CG 4.08Å; V323-L327 WeakPolarHBondContact O-CB 3.36Å; V323-L327 WeakPolarHBondContact O-CG 3.47Å; V323-L327 PolarHBondContact O-N 3.48Å; L327-K652 PolarHBondContact O-N 3.03Å; L327-F657 HydrophobicContact CB-CZ 4.31Å; L327-F657 HydrophobicContact CD2-CD1 4.17Å; L327-F657 HydrophobicContact CD2-CE1 4.02Å; L327-F657 WeakPolarHBondContact O-CZ 3.35Å
328I88.3Confident91.2Very high0 Ų038 Ų380%019%0.188CC..SBendtrans-112.310.7-165.363.6156.9000114.6L250 L284 I296 C324 L330 V649 L650 F657 V659L250-I328 HydrophobicContact CD1-CD1 3.83Å; L284-I328 HydrophobicContact CD2-CD1 3.87Å; I296-I328 HydrophobicContact CD1-CD1 3.79Å; I296-I328 HydrophobicContact CD1-CG1 4.47Å; I296-I328 HydrophobicContact CD1-CG2 3.93Å; I296-I328 HydrophobicContact CG2-CG1 4.49Å; I296-I328 HydrophobicContact CG2-CG2 4.5Å; C324-I328 HydrophobicContact CB-CG1 4.46Å; C324-I328 WeakPolarHBondContact O-CG1 3.49Å; C324-I328 PolarHBondContact O-N 2.83Å; I328-L330 HydrophobicContact CD1-CB 3.72Å; I328-L330 HydrophobicContact CD1-CD2 3.96Å; I328-L330 HydrophobicContact CG1-CB 3.85Å; I328-L330 PolarHBondContact O-N 2.92Å; I328-L330 VanDerWaalsContact O-N 3.16Å; I328-V649 HydrophobicContact CB-CG1 3.96Å; I328-V649 HydrophobicContact CD1-CG1 4.24Å; I328-L650 CarbonylContact C-O 3.51Å; I328-L650 WeakPolarHBondContact CA-O 3.23Å; I328-L650 PolarHBondContact O-N 3.18Å; I328-L650 VanDerWaalsContact O-O 3.08Å; I328-F657 HydrophobicContact CG2-CE2 4.21Å; I328-V659 HydrophobicContact CG2-CG1 4.49Å; I328-V659 HydrophobicContact CG2-CG2 3.85Å
329G86.9Confident91.1Very high0 Ų036 Ų360%018%0.176CC..SBendtrans6417.2179.700000114.1C324 V425 F426 L650C324-G329 PolarHBondContact O-N 3.33Å; G329-V425 CarbonylContact O-C 3.57Å; G329-V425 VanDerWaalsContact O-CA 3.25Å; G329-V425 WeakPolarHBondContact O-CA 3.23Å; G329-F426 PolarHBondContact O-N 3.25Å; G329-L650 PolarHBondContact N-O 3.03Å
330L90.8Very high91.1Very high0 Ų038.6 Ų38.60%019%0.186CC..BIsolated β-bridgetrans-104.1114.6-177.8-175.960000110.1L250 C324 K325 I328 L332 L400 F426 I647L250-L330 HydrophobicContact CD1-CD2 3.93Å; L250-L330 HydrophobicContact CD2-CD2 4.33Å; C324-L330 CarbonylContact C-O 3.54Å; C324-L330 VanDerWaalsContact C-O 3.25Å; C324-L330 WeakPolarHBondContact CB-O 3.27Å; C324-L330 PolarHBondContact O-N 2.79Å; K325-L330 WeakPolarHBondContact CA-O 3.23Å; K325-L330 PolarHBondContact N-O 3.17Å; K325-L330 VanDerWaalsContact N-O 3.12Å; I328-L330 HydrophobicContact CD1-CB 3.72Å; I328-L330 HydrophobicContact CD1-CD2 3.96Å; I328-L330 HydrophobicContact CG1-CB 3.85Å; I328-L330 PolarHBondContact O-N 2.92Å; I328-L330 VanDerWaalsContact O-N 3.16Å; L330-L332 HydrophobicContact CD2-CD2 3.77Å; L330-L332 HydrophobicContact CG-CD2 3.77Å; L330-L332 HydrophobicContact CG-CG 4.33Å; L330-L400 HydrophobicContact CD1-CD1 4.4Å; L330-F426 HydrophobicContact CD1-CB 4.33Å; L330-F426 HydrophobicContact CD1-CD1 3.83Å; L330-I647 HydrophobicContact CD1-CG2 3.5Å; L330-I647 VanDerWaalsContact CD1-CG2 3.5Å; L330-I647 HydrophobicContact CD2-CG2 4.1Å; L330-I647 HydrophobicContact CG-CG2 4.47Å
331D91.5Very high91.1Very high11 Ų1138.6 Ų38.66%0.05919%0.186CC..  trans-91.4107.1176.4-166.6-22.2000110.4K325 S333 V425 F426 P427K325-D331 HydrophobicContact CD-CB 4.13Å; K325-D331 WeakPolarHBondContact CD-OD2 3.45Å; K325-D331 VanDerWaalsContact CE-OD2 3.25Å; K325-D331 WeakPolarHBondContact CE-OD2 3.43Å; K325-D331 HydrophobicContact CG-CB 4.41Å; K325-D331 IonicContact NZ-OD2 3.17Å; K325-D331 PolarHBondContact NZ-OD2 3.16Å; D331-S333 VanDerWaalsContact C-N 3.31Å; D331-S333 VanDerWaalsContact CG-OG 3.32Å; D331-S333 VanDerWaalsContact OD1-CB 3.23Å; D331-S333 WeakPolarHBondContact OD1-CB 3.3Å; D331-S333 PolarHBondContact OD1-N 3.35Å; D331-S333 PolarHBondContact OD1-OG 2.71Å; D331-V425 HydrophobicContact CB-CG1 3.61Å; D331-F426 PolarHBondContact N-O 3.3Å; D331-P427 WeakPolarHBondContact O-CD 3.23Å
332L94.2Very high91.2Very high0 Ų037.4 Ų37.40%018%0.18CC..G310 helixtrans-88.26.3-178.1-58.4173.7000112.9V248 L250 I321 C324 L330 Y334 C335 W338 P395 V397 L400V248-L332 HydrophobicContact CG1-CD1 3.93Å; V248-L332 HydrophobicContact CG2-CD1 4.36Å; L250-L332 HydrophobicContact CD2-CD1 4.28Å; L250-L332 HydrophobicContact CD2-CD2 4.08Å; I321-L332 HydrophobicContact CG1-CB 4.06Å; C324-L332 HydrophobicContact CB-CD1 3.85Å; C324-L332 HydrophobicContact CB-CG 4.27Å; L330-L332 HydrophobicContact CD2-CD2 3.77Å; L330-L332 HydrophobicContact CG-CD2 3.77Å; L330-L332 HydrophobicContact CG-CG 4.33Å; L332-Y334 PolarHBondContact O-N 2.68Å; L332-C335 VanDerWaalsContact O-CB 3.27Å; L332-C335 WeakPolarHBondContact O-CB 3.39Å; L332-C335 PolarHBondContact O-N 3.12Å; L332-W338 HydrophobicContact CB-CH2 3.73Å; L332-W338 HydrophobicContact CB-CZ2 3.51Å; L332-W338 HydrophobicContact CD1-CH2 3.77Å; L332-W338 HydrophobicContact CD1-CZ2 4.38Å; L332-W338 HydrophobicContact CG-CH2 4.42Å; L332-W338 WeakPolarHBondContact O-CZ2 3.49Å; L332-P395 HydrophobicContact CD1-CG 4.42Å; L332-V397 HydrophobicContact CD2-CG1 4.46Å; L332-L400 HydrophobicContact CD2-CD1 3.71Å
333S92.3Very high91.3Very high64 Ų6435.9 Ų35.945%0.44818%0.175SC..G310 helixtrans-62.6-24.7179.555.90000113.8D331 C335D331-S333 VanDerWaalsContact C-N 3.31Å; D331-S333 VanDerWaalsContact CG-OG 3.32Å; D331-S333 VanDerWaalsContact OD1-CB 3.23Å; D331-S333 WeakPolarHBondContact OD1-CB 3.3Å; D331-S333 PolarHBondContact OD1-N 3.35Å; D331-S333 PolarHBondContact OD1-OG 2.71Å; S333-C335 VanDerWaalsContact C-N 3.31Å; S333-C335 PolarHBondContact O-N 3.46Å
334Y89.5Confident91.4Very high119 Ų11935.4 Ų35.447%0.46717%0.172SC..G310 helixtrans-84.33.5175.3-52.3-92.1000113.7L332 T336 S399 P427L332-Y334 PolarHBondContact O-N 2.68Å; Y334-T336 PolarHBondContact O-N 3Å; Y334-S399 PolarHBondContact O-OG 3.25Å; Y334-S399 VanDerWaalsContact O-OG 3.04Å; Y334-P427 HydrophobicContact CD2-CG 3.42Å; Y334-P427 VanDerWaalsContact CD2-CG 3.42Å; Y334-P427 HydrophobicContact CE2-CG 3.69Å; Y334-P427 HydrophobicContact CG-CG 4.06Å
335C91.5Very high91.5Very high9 Ų938 Ų386%0.06118%0.181CC..  trans-73.4115.1172.6-75.10000110.8L332 S333 Q337 W338 P395 N396 S399 L400L332-C335 VanDerWaalsContact O-CB 3.27Å; L332-C335 WeakPolarHBondContact O-CB 3.39Å; L332-C335 PolarHBondContact O-N 3.12Å; S333-C335 VanDerWaalsContact C-N 3.31Å; S333-C335 PolarHBondContact O-N 3.46Å; C335-Q337 VanDerWaalsContact C-N 3.28Å; C335-Q337 PolarHBondContact O-N 2.84Å; C335-W338 HydrophobicContact CB-CZ2 4.39Å; C335-W338 PolarHBondContact O-NE1 3.04Å; C335-P395 HydrophobicContact CB-CB 4.23Å; C335-N396 PolarHBondContact SG-O 3.44Å; C335-S399 WeakPolarHBondContact CA-OG 3.32Å; C335-L400 VanDerWaalsContact SG-CD1 3.57Å
336T87.5Confident91.4Very high103 Ų10334.5 Ų34.563%0.63217%0.166SC*.SBendtrans-68.9-20.9-17457.40000114.8Y334 N396 S399Y334-T336 PolarHBondContact O-N 3Å; T336-N396 PolarHBondContact OG1-ND2 2.93Å; T336-N396 VanDerWaalsContact OG1-ND2 3.14Å; T336-S399 PolarHBondContact N-OG 3.14Å
337Q90.3Very high91.3Very high107 Ų10731.9 Ų31.950%0.516%0.156SC..  trans-142.4144.9-178.8-66.5-177.8-12.200110.9C335 N396C335-Q337 VanDerWaalsContact C-N 3.28Å; C335-Q337 PolarHBondContact O-N 2.84Å; Q337-N396 HydrophobicContact CB-CB 4.02Å; Q337-N396 WeakPolarHBondContact O-CB 3.42Å; Q337-N396 PolarHBondContact O-N 2.86Å
338W93.3Very high90.7Very high51 Ų5132.9 Ų32.919%0.19316%0.157CC..EExtended strand (participates in β ladder)trans-132.7107.6-179.2-76.879.2000110.1V317 A320 I321 L332 C335 F393 P395V317-W338 HydrophobicContact CB-CD2 4.41Å; V317-W338 HydrophobicContact CB-CE3 4.49Å; V317-W338 HydrophobicContact CG1-CD2 3.57Å; V317-W338 VanDerWaalsContact CG1-CE2 3.49Å; V317-W338 HydrophobicContact CG1-CE3 4Å; V317-W338 HydrophobicContact CG1-CG 3.92Å; V317-W338 HydrophobicContact CG1-CH2 4.26Å; V317-W338 HydrophobicContact CG1-CZ2 3.85Å; V317-W338 HydrophobicContact CG1-CZ3 4.33Å; V317-W338 HydrophobicContact CG2-CB 4.16Å; V317-W338 HydrophobicContact CG2-CD2 4.08Å; V317-W338 HydrophobicContact CG2-CE3 4.08Å; V317-W338 HydrophobicContact CG2-CG 4.13Å; A320-W338 HydrophobicContact CB-CH2 3.86Å; A320-W338 HydrophobicContact CB-CZ3 3.65Å; I321-W338 HydrophobicContact CD1-CZ2 4.04Å; I321-W338 HydrophobicContact CG1-CH2 3.9Å; I321-W338 HydrophobicContact CG1-CZ2 3.6Å; L332-W338 HydrophobicContact CB-CH2 3.73Å; L332-W338 HydrophobicContact CB-CZ2 3.51Å; L332-W338 HydrophobicContact CD1-CH2 3.77Å; L332-W338 HydrophobicContact CD1-CZ2 4.38Å; L332-W338 HydrophobicContact CG-CH2 4.42Å; L332-W338 WeakPolarHBondContact O-CZ2 3.49Å; C335-W338 HydrophobicContact CB-CZ2 4.39Å; C335-W338 PolarHBondContact O-NE1 3.04Å; W338-F393 HydrophobicContact CE3-CB 3.96Å; W338-F393 HydrophobicContact CE3-CD1 4.3Å; W338-F393 HydrophobicContact CE3-CG 4.15Å; W338-F393 HydrophobicContact CZ3-CB 4.27Å; W338-P395 HydrophobicContact CD2-CB 3.93Å; W338-P395 HydrophobicContact CE3-CB 3.93Å; W338-P395 HydrophobicContact CH2-CB 4.2Å; W338-P395 HydrophobicContact CZ2-CB 4.19Å; W338-P395 HydrophobicContact CZ3-CB 4.06Å; W338-P395 HydrophobicContact CZ3-CG 4.41Å
339H93.5Very high89.3Confident29 Ų2933.3 Ų33.313%0.13416%0.16CC..EExtended strand (participates in β ladder)trans-91.2119-177.9-57.3-76.3000110.2F207 F341 F393 I394F207-H339 HydrophobicContact CE1-CB 4.36Å; F207-H339 AromaticContact CE1-CD2 3.84Å; F207-H339 AromaticContact CE1-CE1 3.72Å; F207-H339 AromaticContact CE1-CG 3.68Å; F207-H339 AromaticContact CE1-ND1 3.61Å; F207-H339 AromaticContact CE1-NE2 3.86Å; F207-H339 HydrophobicContact CE2-CB 4.05Å; F207-H339 HydrophobicContact CZ-CB 3.6Å; F207-H339 AromaticContact CZ-CD2 3.66Å; F207-H339 AromaticContact CZ-CG 3.37Å; F207-H339 AromaticContact CZ-ND1 3.76Å; H339-F341 PolarHBondContact O-N 3.41Å; H339-F393 CarbonylContact O-C 3.52Å; H339-F393 VanDerWaalsContact O-CA 3.29Å; H339-F393 WeakPolarHBondContact O-CA 3.47Å; H339-I394 HydrophobicContact CB-CB 4.39Å; H339-I394 WeakPolarHBondContact CB-O 3.26Å; H339-I394 PolarHBondContact CD2-O 2.82Å; H339-I394 PolarHBondContact N-O 3.27Å; H339-I394 PolarHBondContact O-N 2.88Å
340R94.2Very high87.8Confident54 Ų5437.9 Ų37.920%0.20418%0.181CC..EExtended strand (participates in β ladder)trans-73.4112.1172.7-166.7-176.3-171.397.6-10.7107.8N202 W203 S206 E343 V391 F393N202-R340 CarbonylContact C-O 3.59Å; N202-R340 HydrophobicContact CB-CB 4.02Å; N202-R340 HydrophobicContact CB-CG 3.91Å; N202-R340 WeakPolarHBondContact CB-O 3.3Å; W203-R340 PolarHBondContact N-O 3.47Å; S206-R340 PolarHBondContact OG-N 2.79Å; S206-R340 PolarHBondContact OG-O 3.03Å; S206-R340 VanDerWaalsContact OG-O 3.12Å; R340-E343 IonicContact CZ-OE2 2.58Å; R340-E343 IonicContact NE-OE2 2.7Å; R340-E343 PolarHBondContact NE-OE2 2.96Å; R340-E343 IonicContact NH2-OE2 2.66Å; R340-E343 PolarHBondContact NH2-OE2 3.49Å; R340-V391 HydrophobicContact CG-CG1 3.85Å; R340-F393 HydrophobicContact CB-CD1 4.36Å; R340-F393 HydrophobicContact CB-CE1 4.17Å; R340-F393 HydrophobicContact CG-CE1 4.29Å
341F95.9Very high85.7Confident0 Ų041 Ų410%021%0.214CC..EExtended strand (participates in β ladder)trans-93.5-55.1-169.5-176.9-111000112N202 W203 L249 H339 Y392 I394 C685 T688 I689 M692N202-F341 PolarHBondContact N-O 2.72Å; W203-F341 HydrophobicContact CB-CD2 3.4Å; W203-F341 VanDerWaalsContact CB-CD2 3.4Å; W203-F341 HydrophobicContact CB-CE2 3.71Å; W203-F341 HydrophobicContact CB-CG 4.26Å; W203-F341 WeakPolarHBondContact CB-O 3.4Å; W203-F341 HydrophobicContact CG-CD2 4.22Å; W203-F341 HydrophobicContact CG-CE2 4.1Å; W203-F341 PolarHBondContact N-O 2.93Å; L249-F341 HydrophobicContact CD1-CD1 3.46Å; L249-F341 VanDerWaalsContact CD1-CD1 3.46Å; L249-F341 HydrophobicContact CD1-CE1 3.77Å; L249-F341 HydrophobicContact CD1-CG 4.2Å; H339-F341 PolarHBondContact O-N 3.41Å; F341-Y392 WeakPolarHBondContact CB-O 3.11Å; F341-Y392 PolarHBondContact N-O 3.24Å; F341-I394 HydrophobicContact CB-CD1 4.21Å; F341-I394 HydrophobicContact CB-CG1 4.17Å; F341-I394 HydrophobicContact CD2-CD1 3.38Å; F341-I394 HydrophobicContact CD2-CG1 4.26Å; F341-I394 HydrophobicContact CE2-CD1 3.82Å; F341-I394 HydrophobicContact CG-CD1 3.79Å; F341-I394 HydrophobicContact CG-CG1 4.2Å; F341-C685 HydrophobicContact CE1-CB 4.22Å; F341-T688 HydrophobicContact CE1-CG2 4.3Å; F341-T688 HydrophobicContact CE2-CG2 4.41Å; F341-T688 HydrophobicContact CZ-CG2 3.79Å; F341-I689 HydrophobicContact CE1-CG1 4.22Å; F341-I689 HydrophobicContact CE2-CG1 4.29Å; F341-I689 HydrophobicContact CZ-CG1 3.62Å; F341-M692 HydrophobicContact CE2-SD 4.47Å
342L96.8Very high83.6Confident0 Ų041.6 Ų41.60%022%0.218CC..EExtended strand (participates in β ladder)trans-144.3152-178.9-75.2171.3000110.9V199 R200 C201 F344 Y392 F684 C685 T688V199-L342 HydrophobicContact CG1-CD2 4.11Å; R200-L342 WeakPolarHBondContact O-CA 3.45Å; R200-L342 WeakPolarHBondContact O-CD2 3.2Å; C201-L342 HydrophobicContact CB-CD2 4.38Å; C201-L342 VanDerWaalsContact SG-CD2 3.54Å; L342-F344 HydrophobicContact CB-CE2 3.98Å; L342-F344 HydrophobicContact CD1-CE2 4.34Å; L342-F344 HydrophobicContact CD1-CZ 4.27Å; L342-Y392 PolarHBondContact N-O 3.49Å; L342-Y392 PolarHBondContact O-N 2.83Å; L342-F684 HydrophobicContact CD1-CD1 3.8Å; L342-F684 HydrophobicContact CD1-CE1 4.11Å; L342-F684 HydrophobicContact CD2-CE1 4.04Å; L342-C685 HydrophobicContact CD1-CB 4.21Å; L342-C685 VanDerWaalsContact CD1-SG 3.5Å; L342-T688 HydrophobicContact CD1-CG2 4.34Å; L342-T688 HydrophobicContact CD2-CG2 4.34Å
343E95.2Very high81.3Confident8 Ų844.1 Ų44.14%0.03723%0.234CC..EExtended strand (participates in β ladder)trans-135.2112.7176.2175.6-173.3128.200109.4V199 R200 R340 R345 I389 V390 V391V199-E343 CarbonylContact C-O 3.56Å; V199-E343 VanDerWaalsContact CA-O 3.27Å; V199-E343 WeakPolarHBondContact CA-O 3.41Å; R200-E343 HydrophobicContact CB-CB 4.22Å; R200-E343 WeakPolarHBondContact CD-OE1 3.26Å; R200-E343 PolarHBondContact N-O 3.49Å; R200-E343 PolarHBondContact O-N 3.13Å; R200-E343 VanDerWaalsContact O-N 3.14Å; R340-E343 IonicContact CZ-OE2 2.58Å; R340-E343 IonicContact NE-OE2 2.7Å; R340-E343 PolarHBondContact NE-OE2 2.96Å; R340-E343 IonicContact NH2-OE2 2.66Å; R340-E343 PolarHBondContact NH2-OE2 3.49Å; E343-R345 HydrophobicContact CG-CG 4.5Å; E343-R345 IonicContact OE1-CZ 3.86Å; E343-R345 IonicContact OE1-NE 3.13Å; E343-R345 PolarHBondContact OE1-NE 3.12Å; E343-R345 IonicContact OE1-NH2 3.41Å; E343-R345 PolarHBondContact OE1-NH2 3.42Å; E343-I389 HydrophobicContact CG-CG2 3.56Å; E343-V390 CarbonylContact C-O 3.49Å; E343-V390 WeakPolarHBondContact CA-O 3.4Å; E343-V391 HydrophobicContact CG-CG2 4.23Å
344F94.4Very high78.9Confident0 Ų041.8 Ų41.80%022%0.219CC..EExtended strand (participates in β ladder)trans-93135.4175.9-60.4-102.2000109.1L196 V199 L342 Y346 I389 V390 Y392 E681 F684L196-F344 HydrophobicContact CD1-CB 3.92Å; L196-F344 HydrophobicContact CD1-CD1 4.06Å; L196-F344 HydrophobicContact CD2-CD1 4.02Å; V199-F344 HydrophobicContact CB-CD1 4.43Å; V199-F344 HydrophobicContact CG1-CD1 4.05Å; V199-F344 HydrophobicContact CG1-CE1 4.06Å; V199-F344 HydrophobicContact CG1-CG 4.31Å; V199-F344 HydrophobicContact CG1-CZ 4.35Å; V199-F344 HydrophobicContact CG2-CD1 3.47Å; V199-F344 VanDerWaalsContact CG2-CD1 3.47Å; V199-F344 HydrophobicContact CG2-CE1 3.87Å; V199-F344 HydrophobicContact CG2-CG 4.2Å; L342-F344 HydrophobicContact CB-CE2 3.98Å; L342-F344 HydrophobicContact CD1-CE2 4.34Å; L342-F344 HydrophobicContact CD1-CZ 4.27Å; F344-Y346 HydrophobicContact CB-CE2 3.78Å; F344-I389 WeakPolarHBondContact O-CA 3.41Å; F344-V390 HydrophobicContact CB-CB 4.34Å; F344-V390 PolarHBondContact N-O 2.97Å; F344-V390 PolarHBondContact O-N 3.47Å; F344-Y392 AromaticContact CD2-CD2 3.77Å; F344-Y392 HydrophobicContact CD2-CD2 3.77Å; F344-Y392 AromaticContact CD2-CE2 3.83Å; F344-Y392 HydrophobicContact CD2-CE2 3.83Å; F344-Y392 AromaticContact CE2-CD2 3.58Å; F344-Y392 HydrophobicContact CE2-CD2 3.58Å; F344-Y392 AromaticContact CE2-CE2 3.67Å; F344-Y392 HydrophobicContact CE2-CE2 3.67Å; F344-Y392 HydrophobicContact CE2-CG 4.42Å; F344-E681 HydrophobicContact CD1-CG 4.03Å; F344-E681 HydrophobicContact CD2-CG 4.41Å; F344-E681 HydrophobicContact CE1-CB 4.12Å; F344-E681 HydrophobicContact CE1-CG 4.07Å; F344-E681 HydrophobicContact CE2-CB 4.14Å; F344-E681 HydrophobicContact CE2-CG 4.45Å; F344-E681 HydrophobicContact CG-CG 4.23Å; F344-E681 HydrophobicContact CZ-CB 3.91Å; F344-E681 HydrophobicContact CZ-CG 4.29Å; F344-F684 HydrophobicContact CE1-CB 4.16Å; F344-F684 AromaticContact CE1-CD1 3.97Å; F344-F684 HydrophobicContact CE1-CD1 3.97Å; F344-F684 HydrophobicContact CE1-CG 4.06Å; F344-F684 HydrophobicContact CZ-CB 4.11Å; F344-F684 AromaticContact CZ-CD1 3.79Å; F344-F684 HydrophobicContact CZ-CD1 3.79Å; F344-F684 HydrophobicContact CZ-CG 4.17Å
345R92.7Very high76.5Confident53 Ų5337.9 Ų37.920%0.221%0.205CC..EExtended strand (participates in β ladder)trans-120.2123177.5-58-168.9175.7-156.5-7.3111.2Y197 R198 E343 I389Y197-R345 HydrophobicContact CD1-CB 4.34Å; Y197-R345 WeakPolarHBondContact CD1-O 3.34Å; Y197-R345 HydrophobicContact CE1-CB 3.64Å; Y197-R345 WeakPolarHBondContact CE1-O 3.28Å; Y197-R345 HydrophobicContact CE2-CB 4.26Å; Y197-R345 PolarHBondContact N-O 3.4Å; Y197-R345 VanDerWaalsContact N-O 3.11Å; R198-R345 HydrophobicContact CB-CB 4.31Å; R198-R345 PolarHBondContact O-N 3.15Å; E343-R345 HydrophobicContact CG-CG 4.5Å; E343-R345 IonicContact OE1-CZ 3.86Å; E343-R345 IonicContact OE1-NE 3.13Å; E343-R345 PolarHBondContact OE1-NE 3.12Å; E343-R345 IonicContact OE1-NH2 3.41Å; E343-R345 PolarHBondContact OE1-NH2 3.42Å; R345-I389 HydrophobicContact CG-CG1 4.23Å
346Y89.7Confident74.2Confident10 Ų1038.7 Ų38.74%0.03921%0.21CC..EExtended strand (participates in β ladder)trans-109.4153.5179.6-60.3-88.9000111.5P193 D195 L196 F344 H387 Q388 V390 E681P193-Y346 HydrophobicContact CB-CE1 4.11Å; P193-Y346 HydrophobicContact CG-CE1 4.25Å; D195-Y346 HydrophobicContact CB-CD1 4.31Å; D195-Y346 CarbonylContact O-C 3.51Å; D195-Y346 VanDerWaalsContact O-CA 3.26Å; D195-Y346 WeakPolarHBondContact O-CA 3.33Å; D195-Y346 WeakPolarHBondContact OD2-CD1 3.25Å; L196-Y346 HydrophobicContact CB-CD1 3.84Å; L196-Y346 HydrophobicContact CB-CE1 3.6Å; L196-Y346 HydrophobicContact CD1-CD1 4.18Å; L196-Y346 HydrophobicContact CD1-CE1 3.88Å; L196-Y346 HydrophobicContact CD1-CE2 4.27Å; L196-Y346 HydrophobicContact CD2-CE1 4.47Å; L196-Y346 HydrophobicContact CG-CE1 4.17Å; F344-Y346 HydrophobicContact CB-CE2 3.78Å; Y346-H387 WeakPolarHBondContact O-CA 3.41Å; Y346-Q388 PolarHBondContact N-O 3.31Å; Y346-Q388 PolarHBondContact O-N 2.93Å; Y346-Q388 VanDerWaalsContact O-N 3.13Å; Y346-V390 HydrophobicContact CD2-CG2 3.97Å; Y346-V390 HydrophobicContact CE2-CB 4.27Å; Y346-V390 HydrophobicContact CE2-CG2 3.71Å; Y346-E681 VanDerWaalsContact CE2-OE1 3.24Å; Y346-E681 WeakPolarHBondContact CE2-OE1 3.48Å; Y346-E681 VanDerWaalsContact CZ-OE1 3.31Å; Y346-E681 WeakPolarHBondContact OH-CG 3.37Å; Y346-E681 PolarHBondContact OH-OE1 2.9Å
347S83.5Confident72.1Confident17 Ų1735.8 Ų35.812%0.11919%0.192CC..EExtended strand (participates in β ladder)trans-118.5102.1175.1177.70000108.6D195 Q355D195-S347 PolarHBondContact O-N 2.86Å; S347-Q355 VanDerWaalsContact CB-NE2 3.33Å; S347-Q355 PolarHBondContact OG-NE2 3.33Å; S347-Q355 PolarHBondContact OG-OE1 2.82Å
348R73.5Confident70Confident55 Ų5533.5 Ų33.521%0.20819%0.188CC..EExtended strand (participates in β ladder)trans-120.4175.9-171.1-67.5-170.1169.2-175.8-9.5111.5D195 P385 F386D195-R348 IonicContact OD2-CZ 3.59Å; D195-R348 IonicContact OD2-NE 2.67Å; D195-R348 PolarHBondContact OD2-NE 3.4Å; D195-R348 IonicContact OD2-NH2 3.73Å; D195-R348 PolarHBondContact OD2-NH2 3.17Å; R348-P385 CarbonylContact O-C 3.58Å; R348-P385 WeakPolarHBondContact O-CA 3.44Å; R348-F386 HydrophobicContact CB-CE1 4.12Å; R348-F386 HydrophobicContact CB-CZ 4.25Å; R348-F386 PolarHBondContact N-O 2.94Å; R348-F386 PolarHBondContact O-N 3.27Å
349T58.7Low67.9Low9 Ų934.7 Ų34.76%0.05520%0.2CC..EExtended strand (participates in β ladder)trans-121148.2172.152.40000109.7G351 S352 A354 P356T349-G351 PolarHBondContact O-N 3.04Å; T349-S352 PolarHBondContact N-O 3.43Å; T349-S352 PolarHBondContact O-N 2.78Å; T349-A354 PolarHBondContact OG1-O 3.23Å; T349-A354 VanDerWaalsContact OG1-O 3.05Å; T349-P356 HydrophobicContact CG2-CB 3.8Å; T349-P356 VanDerWaalsContact CG2-CD 3.46Å; T349-P356 HydrophobicContact CG2-CG 3.63Å
350E54.2Low65.4Low97 Ų9737.8 Ų37.845%0.45322%0.218SC..THydrogen-bonded Turntrans-54.3125.4174.2-61160.6145.700109.1D241 S352 S383 K384 F386D241-E350 WeakPolarHBondContact OD2-CA 3.36Å; E350-S352 PolarHBondContact O-N 3Å; E350-S383 WeakPolarHBondContact O-CB 3.28Å; E350-S383 PolarHBondContact O-OG 2.94Å; E350-K384 PolarHBondContact N-O 3.08Å; E350-K384 WeakPolarHBondContact OE2-CB 3.29Å; E350-K384 PolarHBondContact OE2-N 2.78Å; E350-F386 HydrophobicContact CG-CD1 4.05Å; E350-F386 HydrophobicContact CG-CE1 4.41Å
351G48Very low63.1Low66 Ų6640.8 Ų40.868%0.6823%0.232SC*.THydrogen-bonded Turntrans739.8-176.600000118.5D241 T349D241-G351 PolarHBondContact OD2-N 2.59Å; T349-G351 PolarHBondContact O-N 3.04Å
352S47.1Very low60.4Low22 Ų2246.6 Ų46.615%0.15427%0.27CS..BIsolated β-bridgetrans-150.3144.4169.9-175.50000115E27 T349 E350 A354E27-S352 WeakPolarHBondContact OE2-CA 3.48Å; E27-S352 WeakPolarHBondContact OE2-CB 3.37Å; E27-S352 PolarHBondContact OE2-OG 3.3Å; T349-S352 PolarHBondContact N-O 3.43Å; T349-S352 PolarHBondContact O-N 2.78Å; E350-S352 PolarHBondContact O-N 3Å; S352-A354 PolarHBondContact O-N 3.5Å; S352-A354 PolarHBondContact OG-N 3.18Å; S352-A354 VanDerWaalsContact OG-N 3.15Å
353T45.6Very low57.7Low54 Ų5448.2 Ų48.233%0.33129%0.287SS..SBendtrans-71.5-6.1170.454.90000114.2E27E27-T353 WeakPolarHBondContact OE1-CB 3.48Å; E27-T353 WeakPolarHBondContact OE1-CG2 3.35Å; E27-T353 PolarHBondContact OE1-N 3.36Å; E27-T353 PolarHBondContact OE1-OG1 3.13Å
354A41.1Very low55.5Low15 Ų1549.7 Ų49.712%0.12430%0.298CS..SBendtrans-94.9153.7-179.900000113.9L10 T349 S352L10-A354 HydrophobicContact CD2-CB 4.11Å; T349-A354 PolarHBondContact OG1-O 3.23Å; T349-A354 VanDerWaalsContact OG1-O 3.05Å; S352-A354 PolarHBondContact O-N 3.5Å; S352-A354 PolarHBondContact OG-N 3.18Å; S352-A354 VanDerWaalsContact OG-N 3.15Å
355Q39.6Very low53.3Low37 Ų3757.9 Ų57.917%0.17334%0.336CS..PPolyproline II helixtrans-68.7146.8168.4-74.8-87.220.300111S347 L360S347-Q355 VanDerWaalsContact CB-NE2 3.33Å; S347-Q355 PolarHBondContact OG-NE2 3.33Å; S347-Q355 PolarHBondContact OG-OE1 2.82Å; Q355-L360 HydrophobicContact CB-CD1 4.4Å; Q355-L360 HydrophobicContact CB-CG 4.38Å
356P42.9Very low51Low26 Ų2662.8 Ų62.817%0.16937%0.366CS..PPolyproline II helixtrans-74.6145.9174.429.6-24.1000110.1T349 S358 V359 P385T349-P356 HydrophobicContact CG2-CB 3.8Å; T349-P356 VanDerWaalsContact CG2-CD 3.46Å; T349-P356 HydrophobicContact CG2-CG 3.63Å; P356-S358 PolarHBondContact O-N 2.92Å; P356-V359 HydrophobicContact CG-CB 4.45Å; P356-V359 HydrophobicContact CG-CG2 3.85Å; P356-V359 PolarHBondContact O-N 3.4Å; P356-P385 HydrophobicContact CG-CB 4.31Å
357T44.1Very low48.4Very low41 Ų4173.5 Ų73.525%0.25241%0.406SS..Hα-helixtrans-59.5-21.1-173.1-35.90000113.5F361T357-F361 HydrophobicContact CG2-CD2 3.94Å; T357-F361 HydrophobicContact CG2-CE2 4.48Å; T357-F361 PolarHBondContact O-N 3.14Å
358S45.8Very low45.9Very low59 Ų5975 Ų7541%0.41343%0.425SS..Hα-helixtrans-68.9-26.517449.90000115.1P356 F361 S364P356-S358 PolarHBondContact O-N 2.92Å; S358-F361 CarbonylContact O-C 3.58Å; S358-S364 WeakPolarHBondContact CA-OG 3.4Å
359V48.5Very low43.8Very low76 Ų7683.7 Ų83.746%0.46146%0.457SS..Hα-helixtrans-84.2-35178.8174.40000111.2P356P356-V359 HydrophobicContact CG-CB 4.45Å; P356-V359 HydrophobicContact CG-CG2 3.85Å; P356-V359 PolarHBondContact O-N 3.4Å
360L42.7Very low42.6Very low95 Ų9589.1 Ų89.150%0.49749%0.493SS..Hα-helixtrans-76.7-29.1174.6-68.1173.1000112.8Q355Q355-L360 HydrophobicContact CB-CD1 4.4Å; Q355-L360 HydrophobicContact CB-CG 4.38Å
361F45.1Very low41.6Very low117 Ų11790.7 Ų90.751%0.51351%0.509SS..SBendtrans-132.586.2179.9-58.3-79.9000111.2T357 S358 G363 S364T357-F361 HydrophobicContact CG2-CD2 3.94Å; T357-F361 HydrophobicContact CG2-CE2 4.48Å; T357-F361 PolarHBondContact O-N 3.14Å; S358-F361 CarbonylContact O-C 3.58Å; F361-G363 PolarHBondContact O-N 2.95Å; F361-S364 WeakPolarHBondContact O-CB 3.48Å; F361-S364 PolarHBondContact O-N 2.71Å; F361-S364 PolarHBondContact O-OG 2.66Å
362P39.4Very low41.1Very low121 Ų12193.9 Ų93.979%0.78652%0.515SS*.THydrogen-bonded Turntrans-54.4123.2170.5-25.335.1000110.5
363G39.4Very low40.3Very low35 Ų35102.2 Ų102.236%0.36155%0.551SS.*THydrogen-bonded Turntrans92.46.9-174.500000115.8F361 Q365 L366F361-G363 PolarHBondContact O-N 2.95Å; G363-Q365 PolarHBondContact O-N 3.08Å; G363-Q365 VanDerWaalsContact O-N 3.11Å; G363-L366 WeakPolarHBondContact O-CB 3.25Å; G363-L366 PolarHBondContact O-N 3.1Å
364S50.1Low39.6Very low38 Ų38103.9 Ų103.927%0.26657%0.566SS.*G310 helixtrans-57-23.8171.959.20000113.9S358 F361 L366 W367S358-S364 WeakPolarHBondContact CA-OG 3.4Å; F361-S364 WeakPolarHBondContact O-CB 3.48Å; F361-S364 PolarHBondContact O-N 2.71Å; F361-S364 PolarHBondContact O-OG 2.66Å; S364-L366 PolarHBondContact O-N 3.33Å; S364-W367 PolarHBondContact O-N 3.47Å
365Q46.5Very low39.6Very low173 Ų173109.5 Ų109.581%0.80860%0.601SS**G310 helixtrans-57.8-24.7170.6-64.2172.6-5.100113.6G363 W367G363-Q365 PolarHBondContact O-N 3.08Å; G363-Q365 VanDerWaalsContact O-N 3.11Å; Q365-W367 VanDerWaalsContact C-N 3.29Å
366L45.1Very low39.3Very low156 Ų156116.6 Ų116.682%0.81763%0.634SS**G310 helixtrans-82.1-5.3177.3-63.6165.4000113.2G363 S364G363-L366 WeakPolarHBondContact O-CB 3.25Å; G363-L366 PolarHBondContact O-N 3.1Å; S364-L366 PolarHBondContact O-N 3.33Å
367W34.5Very low38.8Very low235 Ų235119 Ų11989%0.8965%0.652SS**G310 helixtrans-101.18.5-178.1-74.679.7000113.9S364 Q365S364-W367 PolarHBondContact O-N 3.47Å; Q365-W367 VanDerWaalsContact C-N 3.29Å
368G31.9Very low38.5Very low49 Ų49125.1 Ų125.151%0.50568%0.682SS.*SBendtrans-126.6148.5164.800000110.2
369R29.9Very low38Very low236 Ų236129.7 Ų129.789%0.89170%0.699SS**PPolyproline II helixtrans-69141.8169.7-79.2-173.5170.3-149.5-1.7109.6V371R369-V371 PolarHBondContact O-N 3.2Å; R369-V371 VanDerWaalsContact O-N 3.15Å
370P32.7Very low37.6Very low124 Ų124133 Ų13381%0.80571%0.713SS**PPolyproline II helixtrans-64117166.527.6-32.5000108.7T372P370-T372 PolarHBondContact O-N 3.29Å
371V34.3Very low37.5Very low130 Ų130133.2 Ų133.279%0.78872%0.72SS**PPolyproline II helixtrans-77.8117.8170176.80000107R369 E373R369-V371 PolarHBondContact O-N 3.2Å; R369-V371 VanDerWaalsContact O-N 3.15Å; V371-E373 PolarHBondContact O-N 2.72Å
372T37.5Very low37.5Very low132 Ų132133.7 Ų133.781%0.8174%0.735SS**PPolyproline II helixtrans-61.9133.3171.638.80000110.3P370P370-T372 PolarHBondContact O-N 3.29Å
373E30.6Very low38.2Very low197 Ų197130.4 Ų130.492%0.92172%0.715SS**PPolyproline II helixtrans-61136.7-169.5-59.2170.316000113.2V371V371-E373 PolarHBondContact O-N 2.72Å
374S30.8Very low38.8Very low90 Ų90135.9 Ų135.963%0.62973%0.728SS**  trans-122.5125.5165.158.80000108.4E376S374-E376 VanDerWaalsContact C-N 3.3Å; S374-E376 PolarHBondContact O-N 2.85Å; S374-E376 VanDerWaalsContact O-N 3.1Å
375P40.7Very low39.1Very low133 Ų133137.6 Ų137.686%0.86474%0.739SS**SBendtrans-84.922.2-159.534.4-38.8000116.2
376E32.9Very low40.3Very low186 Ų186131.2 Ų131.287%0.86971%0.708SS**  trans-13141.2-168.9-63.1-169151.300114.4S374S374-E376 VanDerWaalsContact C-N 3.3Å; S374-E376 PolarHBondContact O-N 2.85Å; S374-E376 VanDerWaalsContact O-N 3.1Å
377S33.1Very low42.1Very low77 Ų77128.9 Ų128.954%0.53869%0.693SS.*SBendtrans-144.4134.9165.668.20000111.9M379S377-M379 PolarHBondContact O-N 3.19Å
378D37Very low44.6Very low168 Ų168118.9 Ų118.990%0.89866%0.656SS**  trans-68.973176.6-67.7-54.9000111.5I380D378-I380 PolarHBondContact O-N 2.78Å
379M34.6Very low47.4Very low155 Ų155117.5 Ų117.576%0.76464%0.637SS**  trans-7192.1172-73.4-93.76900109.2S377 P381S377-M379 PolarHBondContact O-N 3.19Å; M379-P381 VanDerWaalsContact O-N 3.16Å
380I40.4Very low50.5Low147 Ų147106.6 Ų106.675%0.75460%0.597SS**PPolyproline II helixtrans-49.3121.8165-57.4173.6000107D378D378-I380 PolarHBondContact O-N 2.78Å
381P40.3Very low53.4Low99 Ų99100.7 Ų100.764%0.64356%0.558SS**PPolyproline II helixtrans-61.5150.8-175.424.7-34.1000110.7M379 S383M379-P381 VanDerWaalsContact O-N 3.16Å; P381-S383 PolarHBondContact O-N 3.3Å
382P46Very low56.4Low127 Ų12794.6 Ų94.683%0.82552%0.521SS*.PPolyproline II helixtrans-56.7125.8179.423.9-33.7000109.8K384P382-K384 PolarHBondContact O-N 2.96Å
383S53.2Low59.2Low52 Ų5288.7 Ų88.736%0.36448%0.484SS..PPolyproline II helixtrans-52.9127.3-169.141.40000111.7E350 P381E350-S383 WeakPolarHBondContact O-CB 3.28Å; E350-S383 PolarHBondContact O-OG 2.94Å; P381-S383 PolarHBondContact O-N 3.3Å
384K53.3Low62.3Low149 Ų14979.5 Ų79.565%0.64844%0.441SS*.PPolyproline II helixtrans-70.3128.3-169.3-156.2170.7-173.7175.70108.6E350 P382 F386E350-K384 PolarHBondContact N-O 3.08Å; E350-K384 WeakPolarHBondContact OE2-CB 3.29Å; E350-K384 PolarHBondContact OE2-N 2.78Å; P382-K384 PolarHBondContact O-N 2.96Å; K384-F386 PolarHBondContact O-N 3.3Å
385P56.2Low65.3Low74 Ų7475.3 Ų75.348%0.48141%0.412SS..EExtended strand (participates in β ladder)trans-65.4125.2173.924.9-31.5000109.1R348 P356R348-P385 CarbonylContact O-C 3.58Å; R348-P385 WeakPolarHBondContact O-CA 3.44Å; P356-P385 HydrophobicContact CG-CB 4.31Å
386F71.5Confident67.7Low40 Ų4070 Ų7018%0.17538%0.376CS..EExtended strand (participates in β ladder)trans-125.3154.9-178.679.2-88.1000111.3D241 R348 E350 K384 Q388D241-F386 HydrophobicContact CB-CZ 4.33Å; R348-F386 HydrophobicContact CB-CE1 4.12Å; R348-F386 HydrophobicContact CB-CZ 4.25Å; R348-F386 PolarHBondContact N-O 2.94Å; R348-F386 PolarHBondContact O-N 3.27Å; E350-F386 HydrophobicContact CG-CD1 4.05Å; E350-F386 HydrophobicContact CG-CE1 4.41Å; K384-F386 PolarHBondContact O-N 3.3Å; F386-Q388 HydrophobicContact CE2-CB 4.12Å
387H82.2Confident70.4Confident106 Ų10661.4 Ų61.449%0.49134%0.337SS..EExtended strand (participates in β ladder)trans-92.6124.3175.8-67.4-51.8000110.2Y197 Y346Y197-H387 AromaticContact CE1-ND1 3.65Å; Y197-H387 AromaticContact CZ-ND1 3.88Å; Y197-H387 PolarHBondContact OH-ND1 2.84Å; Y346-H387 WeakPolarHBondContact O-CA 3.41Å
388Q87.6Confident72.9Confident26 Ų2659.6 Ų59.612%0.12132%0.318CS..EExtended strand (participates in β ladder)trans-100.1125.9168.4-170.2175.828.400109.3G243 Y346 F386 V390G243-Q388 CarbonylContact O-C 3.56Å; G243-Q388 WeakPolarHBondContact O-CA 3.34Å; Y346-Q388 PolarHBondContact N-O 3.31Å; Y346-Q388 PolarHBondContact O-N 2.93Å; Y346-Q388 VanDerWaalsContact O-N 3.13Å; F386-Q388 HydrophobicContact CE2-CB 4.12Å; Q388-V390 HydrophobicContact CG-CG2 4.42Å
389I91.1Very high75.3Confident20 Ų2054 Ų5410%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-115.1113.8-177.2-57.6-174.7000109G243 F244 A245 E343 F344 R345 V391G243-I389 PolarHBondContact O-N 2.67Å; F244-I389 WeakPolarHBondContact CA-O 3.43Å; F244-I389 HydrophobicContact CD1-CB 3.78Å; F244-I389 HydrophobicContact CD1-CG2 4.21Å; F244-I389 HydrophobicContact CE1-CB 3.83Å; F244-I389 HydrophobicContact CE1-CD1 3.86Å; F244-I389 HydrophobicContact CE1-CG1 4.26Å; F244-I389 HydrophobicContact CE1-CG2 4.14Å; F244-I389 HydrophobicContact CZ-CD1 4.24Å; A245-I389 PolarHBondContact N-O 3.21Å; E343-I389 HydrophobicContact CG-CG2 3.56Å; F344-I389 WeakPolarHBondContact O-CA 3.41Å; R345-I389 HydrophobicContact CG-CG1 4.23Å; I389-V391 HydrophobicContact CG2-CG2 4.08Å
390V93.5Very high77.9Confident7 Ų747 Ų474%0.04226%0.258CS..EExtended strand (participates in β ladder)trans-106.2117.5-177.6-174.40000109.1A245 Y247 E343 F344 Y346 Q388 Y392A245-V390 HydrophobicContact CB-CG1 4.42Å; A245-V390 HydrophobicContact CB-CG2 4.35Å; Y247-V390 HydrophobicContact CD2-CG1 3.45Å; Y247-V390 VanDerWaalsContact CD2-CG1 3.45Å; Y247-V390 HydrophobicContact CE2-CG1 3.61Å; E343-V390 CarbonylContact C-O 3.49Å; E343-V390 WeakPolarHBondContact CA-O 3.4Å; F344-V390 HydrophobicContact CB-CB 4.34Å; F344-V390 PolarHBondContact N-O 2.97Å; F344-V390 PolarHBondContact O-N 3.47Å; Y346-V390 HydrophobicContact CD2-CG2 3.97Å; Y346-V390 HydrophobicContact CE2-CB 4.27Å; Y346-V390 HydrophobicContact CE2-CG2 3.71Å; Q388-V390 HydrophobicContact CG-CG2 4.42Å; V390-Y392 HydrophobicContact CG1-CD2 4.42Å; V390-Y392 HydrophobicContact CG1-CE2 3.94Å
391V94.9Very high80.2Confident0 Ų041.7 Ų41.70%023%0.23CC..EExtended strand (participates in β ladder)trans-111.6127.5-172.6-174.30000110.9A245 A246 Y247 L316 R340 E343 I389 F393A245-V391 PolarHBondContact O-N 3.43Å; A246-V391 CarbonylContact C-O 3.56Å; A246-V391 WeakPolarHBondContact CA-O 3.32Å; Y247-V391 PolarHBondContact N-O 3.44Å; L316-V391 HydrophobicContact CD1-CB 4.39Å; L316-V391 HydrophobicContact CD1-CG2 3.87Å; R340-V391 HydrophobicContact CG-CG1 3.85Å; E343-V391 HydrophobicContact CG-CG2 4.23Å; I389-V391 HydrophobicContact CG2-CG2 4.08Å; V391-F393 HydrophobicContact CB-CE2 4.03Å; V391-F393 HydrophobicContact CG1-CD2 4.02Å; V391-F393 HydrophobicContact CG1-CE1 4.37Å; V391-F393 HydrophobicContact CG1-CE2 3.48Å; V391-F393 VanDerWaalsContact CG1-CE2 3.48Å; V391-F393 HydrophobicContact CG1-CZ 3.69Å
392Y96.9Very high82.5Confident1 Ų137.6 Ų37.60%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-101.3129.1174.6-78.7-107.7000110.4Y247 L249 A295 F341 L342 F344 V390 E681 C685Y247-Y392 HydrophobicContact CD2-CE2 4.38Å; Y247-Y392 HydrophobicContact CG-CE1 4.43Å; Y247-Y392 HydrophobicContact CG-CE2 4.41Å; Y247-Y392 CarbonylContact O-C 3.57Å; Y247-Y392 WeakPolarHBondContact O-CA 3.21Å; L249-Y392 HydrophobicContact CD1-CD1 4.26Å; L249-Y392 HydrophobicContact CD2-CD1 3.89Å; L249-Y392 HydrophobicContact CD2-CE1 4.24Å; L249-Y392 HydrophobicContact CG-CD1 3.97Å; A295-Y392 HydrophobicContact CB-CD1 4.14Å; A295-Y392 HydrophobicContact CB-CE1 3.5Å; F341-Y392 WeakPolarHBondContact CB-O 3.11Å; F341-Y392 PolarHBondContact N-O 3.24Å; L342-Y392 PolarHBondContact N-O 3.49Å; L342-Y392 PolarHBondContact O-N 2.83Å; F344-Y392 AromaticContact CD2-CD2 3.77Å; F344-Y392 HydrophobicContact CD2-CD2 3.77Å; F344-Y392 AromaticContact CD2-CE2 3.83Å; F344-Y392 HydrophobicContact CD2-CE2 3.83Å; F344-Y392 AromaticContact CE2-CD2 3.58Å; F344-Y392 HydrophobicContact CE2-CD2 3.58Å; F344-Y392 AromaticContact CE2-CE2 3.67Å; F344-Y392 HydrophobicContact CE2-CE2 3.67Å; F344-Y392 HydrophobicContact CE2-CG 4.42Å; V390-Y392 HydrophobicContact CG1-CD2 4.42Å; V390-Y392 HydrophobicContact CG1-CE2 3.94Å; Y392-E681 HydrophobicContact CE2-CB 4.01Å; Y392-E681 VanDerWaalsContact OH-CB 3.25Å; Y392-E681 WeakPolarHBondContact OH-CB 3.12Å; Y392-E681 PolarHBondContact OH-OE2 3.25Å; Y392-C685 WeakPolarHBondContact CD1-SG 3.44Å
393F96.8Very high84.5Confident8 Ų835.2 Ų35.24%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-113.6148.6176.3-66.8-88.9000112A246 Y247 L249 L316 V317 W338 H339 R340 V391A246-F393 HydrophobicContact CB-CE2 4.34Å; Y247-F393 PolarHBondContact O-N 3.43Å; L249-F393 PolarHBondContact N-O 3.3Å; L316-F393 HydrophobicContact CB-CE2 3.88Å; L316-F393 HydrophobicContact CB-CZ 3.88Å; V317-F393 HydrophobicContact CG2-CE1 4.04Å; V317-F393 HydrophobicContact CG2-CZ 4.18Å; W338-F393 HydrophobicContact CE3-CB 3.96Å; W338-F393 HydrophobicContact CE3-CD1 4.3Å; W338-F393 HydrophobicContact CE3-CG 4.15Å; W338-F393 HydrophobicContact CZ3-CB 4.27Å; H339-F393 CarbonylContact O-C 3.52Å; H339-F393 VanDerWaalsContact O-CA 3.29Å; H339-F393 WeakPolarHBondContact O-CA 3.47Å; R340-F393 HydrophobicContact CB-CD1 4.36Å; R340-F393 HydrophobicContact CB-CE1 4.17Å; R340-F393 HydrophobicContact CG-CE1 4.29Å; V391-F393 HydrophobicContact CB-CE2 4.03Å; V391-F393 HydrophobicContact CG1-CD2 4.02Å; V391-F393 HydrophobicContact CG1-CE1 4.37Å; V391-F393 HydrophobicContact CG1-CE2 3.48Å; V391-F393 VanDerWaalsContact CG1-CE2 3.48Å; V391-F393 HydrophobicContact CG1-CZ 3.69Å
394I95.2Very high86.1Confident4 Ų438.4 Ų38.42%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-110.2103160.9-64169.4000106.7F207 L249 L251 H339 F341F207-I394 HydrophobicContact CE2-CD1 4.46Å; L249-I394 HydrophobicContact CB-CG1 3.96Å; L249-I394 HydrophobicContact CD1-CG1 4.2Å; L251-I394 HydrophobicContact CD1-CD1 4.35Å; L251-I394 HydrophobicContact CD1-CG2 4.28Å; H339-I394 HydrophobicContact CB-CB 4.39Å; H339-I394 WeakPolarHBondContact CB-O 3.26Å; H339-I394 PolarHBondContact CD2-O 2.82Å; H339-I394 PolarHBondContact N-O 3.27Å; H339-I394 PolarHBondContact O-N 2.88Å; F341-I394 HydrophobicContact CB-CD1 4.21Å; F341-I394 HydrophobicContact CB-CG1 4.17Å; F341-I394 HydrophobicContact CD2-CD1 3.38Å; F341-I394 HydrophobicContact CD2-CG1 4.26Å; F341-I394 HydrophobicContact CE2-CD1 3.82Å; F341-I394 HydrophobicContact CG-CD1 3.79Å; F341-I394 HydrophobicContact CG-CG1 4.2Å
395P94.3Very high87.7Confident2 Ų239.4 Ų39.41%0.01321%0.207CC..EExtended strand (participates in β ladder)trans-77.7151.7173.130.7-32.9000111.1V248 L250 L332 C335 W338 V397V248-P395 HydrophobicContact CG1-CG 3.53Å; L250-P395 HydrophobicContact CD2-CG 4.07Å; L332-P395 HydrophobicContact CD1-CG 4.42Å; C335-P395 HydrophobicContact CB-CB 4.23Å; W338-P395 HydrophobicContact CD2-CB 3.93Å; W338-P395 HydrophobicContact CE3-CB 3.93Å; W338-P395 HydrophobicContact CH2-CB 4.2Å; W338-P395 HydrophobicContact CZ2-CB 4.19Å; W338-P395 HydrophobicContact CZ3-CB 4.06Å; W338-P395 HydrophobicContact CZ3-CG 4.41Å; P395-V397 VanDerWaalsContact C-N 3.3Å; P395-V397 HydrophobicContact CG-CG1 4.18Å; P395-V397 PolarHBondContact O-N 3.29Å
396N90.4Very high89.2Confident22 Ų2240.7 Ų40.712%0.11821%0.206CC..  trans-70.387168.1-179.4-9.1000109.7C335 T336 Q337 W398 S399C335-N396 PolarHBondContact SG-O 3.44Å; T336-N396 PolarHBondContact OG1-ND2 2.93Å; T336-N396 VanDerWaalsContact OG1-ND2 3.14Å; Q337-N396 HydrophobicContact CB-CB 4.02Å; Q337-N396 WeakPolarHBondContact O-CB 3.42Å; Q337-N396 PolarHBondContact O-N 2.86Å; N396-W398 VanDerWaalsContact C-N 3.26Å; N396-W398 HydrophobicContact CB-CE3 4.44Å; N396-W398 WeakPolarHBondContact OD1-CA 3.32Å; N396-W398 WeakPolarHBondContact OD1-CB 3.2Å; N396-W398 VanDerWaalsContact OD1-CE3 3.24Å; N396-W398 PolarHBondContact OD1-N 3.09Å; N396-S399 PolarHBondContact O-OG 3.46Å; N396-S399 PolarHBondContact OD1-N 3.28Å
397V90.6Very high90Very high5 Ų539 Ų393%0.0320%0.199CC..G310 helixtrans-76.5-9.3172.3-71.90000113.3T219 L250 L332 P395 S399 L400 I647T219-V397 HydrophobicContact CG2-CG2 3.72Å; L250-V397 HydrophobicContact CD2-CG1 3.61Å; L332-V397 HydrophobicContact CD2-CG1 4.46Å; P395-V397 VanDerWaalsContact C-N 3.3Å; P395-V397 HydrophobicContact CG-CG1 4.18Å; P395-V397 PolarHBondContact O-N 3.29Å; V397-S399 VanDerWaalsContact C-N 3.28Å; V397-S399 PolarHBondContact O-N 2.92Å; V397-L400 WeakPolarHBondContact O-CB 3.22Å; V397-L400 PolarHBondContact O-N 3.43Å; V397-I647 HydrophobicContact CB-CD1 4.14Å
398W85.8Confident90.3Very high40 Ų4037.4 Ų37.415%0.15220%0.199CC..G310 helixtrans-66.8-31.1174.7-53.4-72.5000111.4F213 P215 Y217 T219 L253 N396 L400 M401F213-W398 AromaticContact CE2-CH2 3.82Å; F213-W398 HydrophobicContact CE2-CH2 3.82Å; F213-W398 HydrophobicContact CE2-CZ2 4.47Å; F213-W398 AromaticContact CZ-CH2 3.88Å; F213-W398 HydrophobicContact CZ-CH2 3.88Å; F213-W398 HydrophobicContact CZ-CZ2 4.07Å; P215-W398 HydrophobicContact CB-CH2 4.45Å; P215-W398 HydrophobicContact CB-CZ2 3.58Å; Y217-W398 HydrophobicContact CD2-CB 4.09Å; Y217-W398 PolarHBondContact O-NE1 2.82Å; Y217-W398 VanDerWaalsContact O-NE1 3.09Å; T219-W398 HydrophobicContact CG2-CG 4.24Å; L253-W398 HydrophobicContact CD1-CZ2 4.25Å; N396-W398 VanDerWaalsContact C-N 3.26Å; N396-W398 HydrophobicContact CB-CE3 4.44Å; N396-W398 WeakPolarHBondContact OD1-CA 3.32Å; N396-W398 WeakPolarHBondContact OD1-CB 3.2Å; N396-W398 VanDerWaalsContact OD1-CE3 3.24Å; N396-W398 PolarHBondContact OD1-N 3.09Å; W398-L400 PolarHBondContact O-N 3.47Å; W398-M401 PolarHBondContact O-N 3.38Å
399S86.2Confident90.4Very high49 Ų4938.2 Ų38.234%0.34321%0.206SC..G310 helixtrans-73.52.4171.9750000114.4Y334 C335 T336 N396 V397Y334-S399 PolarHBondContact O-OG 3.25Å; Y334-S399 VanDerWaalsContact O-OG 3.04Å; C335-S399 WeakPolarHBondContact CA-OG 3.32Å; T336-S399 PolarHBondContact N-OG 3.14Å; N396-S399 PolarHBondContact O-OG 3.46Å; N396-S399 PolarHBondContact OD1-N 3.28Å; V397-S399 VanDerWaalsContact C-N 3.28Å; V397-S399 PolarHBondContact O-N 2.92Å
400L89Confident90.3Very high10 Ų1038.3 Ų38.35%0.05221%0.206CC..G310 helixtrans-110.8-0.4171.2-52.3-176000112.9L330 L332 C335 V397 W398 P402 I647L330-L400 HydrophobicContact CD1-CD1 4.4Å; L332-L400 HydrophobicContact CD2-CD1 3.71Å; C335-L400 VanDerWaalsContact SG-CD1 3.57Å; V397-L400 WeakPolarHBondContact O-CB 3.22Å; V397-L400 PolarHBondContact O-N 3.43Å; W398-L400 PolarHBondContact O-N 3.47Å; L400-P402 WeakPolarHBondContact O-CD 3.34Å; L400-I647 HydrophobicContact CB-CD1 3.92Å; L400-I647 HydrophobicContact CB-CG1 4.07Å; L400-I647 WeakPolarHBondContact O-CG1 3.22Å
401M89.7Confident89.9Confident35 Ų3539.7 Ų39.717%0.17221%0.212CC..PPolyproline II helixtrans-75.5121.8175.5-84.6-85.411800109.7L218 T219 T220 W398 I647L218-M401 WeakPolarHBondContact O-CG 3.12Å; T219-M401 HydrophobicContact CG2-CG 4.39Å; T220-M401 VanDerWaalsContact O-CE 3.22Å; T220-M401 WeakPolarHBondContact O-CE 3.29Å; W398-M401 PolarHBondContact O-N 3.38Å; M401-I647 HydrophobicContact CE-CB 4.21Å; M401-I647 HydrophobicContact CE-CD1 3.63Å; M401-I647 HydrophobicContact CE-CG1 3.69Å
402P88.4Confident89.5Confident12 Ų1244.2 Ų44.28%0.07824%0.235CC..PPolyproline II helixtrans-72.3145.5172.429.9-30.8000110.3L400 E406 W407 I410 P645L400-P402 WeakPolarHBondContact O-CD 3.34Å; P402-E406 HydrophobicContact CB-CB 4.29Å; P402-W407 HydrophobicContact CB-CE3 4.45Å; P402-W407 HydrophobicContact CG-CD2 4.47Å; P402-W407 HydrophobicContact CG-CE3 3.62Å; P402-W407 HydrophobicContact CG-CZ3 4.24Å; P402-I410 HydrophobicContact CB-CD1 3.62Å; P402-I410 HydrophobicContact CG-CD1 4.44Å; P402-P645 HydrophobicContact CG-CB 4.32Å
403T88.5Confident89Confident77 Ų7744.1 Ų44.147%0.47224%0.235SC..PPolyproline II helixtrans-68.6164.8168.159.20000111.3E405 E406 W407T403-E405 PolarHBondContact O-N 2.94Å; T403-E406 WeakPolarHBondContact CB-OE2 3.34Å; T403-E406 WeakPolarHBondContact CG2-OE2 3.21Å; T403-E406 PolarHBondContact N-OE2 3.21Å; T403-E406 PolarHBondContact O-N 3.31Å; T403-E406 WeakPolarHBondContact OG1-CB 3.44Å; T403-E406 VanDerWaalsContact OG1-CD 3.28Å; T403-E406 VanDerWaalsContact OG1-CG 3.24Å; T403-E406 WeakPolarHBondContact OG1-CG 3.46Å; T403-E406 PolarHBondContact OG1-N 3.44Å; T403-E406 PolarHBondContact OG1-OE2 3.41Å; T403-W407 VanDerWaalsContact O-CB 3.26Å; T403-W407 WeakPolarHBondContact O-CB 3.43Å; T403-W407 PolarHBondContact O-N 3.46Å
404D86.7Confident88.4Confident120 Ų12043.9 Ų43.964%0.64223%0.234SC*.Hα-helixtrans-58.9-34.2178-63.4-62.1000112.8S408 P645D404-S408 PolarHBondContact O-OG 2.82Å; D404-P645 WeakPolarHBondContact OD1-CD 3.4Å; D404-P645 WeakPolarHBondContact OD1-CG 3.41Å
405E85.8Confident87.9Confident170 Ų17046.4 Ų46.479%0.79425%0.246SC*.Hα-helixtrans-69.7-50.6176.6-62.5-178.5-168.600111.5T403 W407 S408T403-E405 PolarHBondContact O-N 2.94Å; E405-W407 VanDerWaalsContact C-N 3.31Å; E405-W407 PolarHBondContact O-N 2.83Å; E405-S408 PolarHBondContact O-N 3.14Å
406E87.7Confident87.4Confident101 Ų10150.1 Ų50.147%0.47227%0.266SS..Hα-helixtrans-64-36.4176.9-68.2166.7128.800112P402 T403 S408 T409 I410P402-E406 HydrophobicContact CB-CB 4.29Å; T403-E406 WeakPolarHBondContact CB-OE2 3.34Å; T403-E406 WeakPolarHBondContact CG2-OE2 3.21Å; T403-E406 PolarHBondContact N-OE2 3.21Å; T403-E406 PolarHBondContact O-N 3.31Å; T403-E406 WeakPolarHBondContact OG1-CB 3.44Å; T403-E406 VanDerWaalsContact OG1-CD 3.28Å; T403-E406 VanDerWaalsContact OG1-CG 3.24Å; T403-E406 WeakPolarHBondContact OG1-CG 3.46Å; T403-E406 PolarHBondContact OG1-N 3.44Å; T403-E406 PolarHBondContact OG1-OE2 3.41Å; E406-S408 VanDerWaalsContact C-N 3.26Å; E406-S408 PolarHBondContact O-N 2.98Å; E406-T409 WeakPolarHBondContact O-CB 3.13Å; E406-T409 PolarHBondContact O-N 3.27Å; E406-I410 HydrophobicContact CB-CD1 4.08Å; E406-I410 WeakPolarHBondContact O-CB 3.47Å; E406-I410 WeakPolarHBondContact O-CG1 3.25Å; E406-I410 PolarHBondContact O-N 3.37Å
407W89.9Confident86.8Confident5 Ų549.3 Ų49.32%0.01926%0.261CS..Hα-helixtrans-57.5-39.8-179.2-179.2-119.9000111.6P402 T403 E405 T409 I410 K411 R642 D643 L644 P645 S646 I648P402-W407 HydrophobicContact CB-CE3 4.45Å; P402-W407 HydrophobicContact CG-CD2 4.47Å; P402-W407 HydrophobicContact CG-CE3 3.62Å; P402-W407 HydrophobicContact CG-CZ3 4.24Å; T403-W407 VanDerWaalsContact O-CB 3.26Å; T403-W407 WeakPolarHBondContact O-CB 3.43Å; T403-W407 PolarHBondContact O-N 3.46Å; E405-W407 VanDerWaalsContact C-N 3.31Å; E405-W407 PolarHBondContact O-N 2.83Å; W407-T409 VanDerWaalsContact C-N 3.3Å; W407-T409 PolarHBondContact O-N 2.89Å; W407-I410 HydrophobicContact CE3-CB 4.41Å; W407-I410 HydrophobicContact CE3-CG2 4.05Å; W407-I410 HydrophobicContact CZ3-CG2 4.06Å; W407-I410 PolarHBondContact O-N 2.92Å; W407-K411 WeakPolarHBondContact O-CB 3.5Å; W407-K411 PolarHBondContact O-N 3.1Å; W407-R642 WeakPolarHBondContact CZ2-O 3.38Å; W407-R642 PolarHBondContact NE1-O 3.05Å; W407-D643 PolarHBondContact NE1-O 3.25Å; W407-L644 WeakPolarHBondContact CZ2-O 3.47Å; W407-L644 PolarHBondContact NE1-O 3.2Å; W407-P645 HydrophobicContact CB-CB 4.35Å; W407-P645 HydrophobicContact CB-CG 4.01Å; W407-P645 HydrophobicContact CG-CB 4.26Å; W407-P645 HydrophobicContact CG-CG 4.09Å; W407-S646 WeakPolarHBondContact CH2-OG 3.49Å; W407-S646 WeakPolarHBondContact CZ3-O 3.4Å; W407-I648 HydrophobicContact CH2-CD1 3.85Å; W407-I648 HydrophobicContact CH2-CG1 3.9Å; W407-I648 HydrophobicContact CZ3-CD1 3.82Å; W407-I648 HydrophobicContact CZ3-CG1 4.05Å
408S88.1Confident86Confident72 Ų7251.2 Ų51.250%0.50327%0.271SS..Hα-helixtrans-59.4-41.4176.5-62.70000112.3D404 E405 E406 L412D404-S408 PolarHBondContact O-OG 2.82Å; E405-S408 PolarHBondContact O-N 3.14Å; E406-S408 VanDerWaalsContact C-N 3.26Å; E406-S408 PolarHBondContact O-N 2.98Å; S408-L412 WeakPolarHBondContact O-CG 3.44Å; S408-L412 PolarHBondContact O-N 3.35Å
409T89.4Confident85.2Confident43 Ų4353.3 Ų53.326%0.26430%0.297SS..Hα-helixtrans-72.2-42.7178.3-55.80000111.6E406 W407 A413 L433 S437E406-T409 WeakPolarHBondContact O-CB 3.13Å; E406-T409 PolarHBondContact O-N 3.27Å; W407-T409 VanDerWaalsContact C-N 3.3Å; W407-T409 PolarHBondContact O-N 2.89Å; T409-A413 WeakPolarHBondContact O-CB 2.9Å; T409-A413 PolarHBondContact O-N 3.23Å; T409-L433 HydrophobicContact CG2-CD1 4.07Å; T409-L433 HydrophobicContact CG2-CG 4.22Å; T409-S437 VanDerWaalsContact CG2-CB 3.46Å
410I87.8Confident84.2Confident21 Ų2153.4 Ų53.411%0.10830%0.297CS..Hα-helixtrans-65.9-42.5178.5-71.5166.2000110.9P402 E406 W407 A413 Y414 F426 L433 I648P402-I410 HydrophobicContact CB-CD1 3.62Å; P402-I410 HydrophobicContact CG-CD1 4.44Å; E406-I410 HydrophobicContact CB-CD1 4.08Å; E406-I410 WeakPolarHBondContact O-CB 3.47Å; E406-I410 WeakPolarHBondContact O-CG1 3.25Å; E406-I410 PolarHBondContact O-N 3.37Å; W407-I410 HydrophobicContact CE3-CB 4.41Å; W407-I410 HydrophobicContact CE3-CG2 4.05Å; W407-I410 HydrophobicContact CZ3-CG2 4.06Å; W407-I410 PolarHBondContact O-N 2.92Å; I410-A413 PolarHBondContact O-N 3.04Å; I410-Y414 HydrophobicContact CG2-CD2 3.75Å; I410-Y414 HydrophobicContact CG2-CE2 3.95Å; I410-Y414 WeakPolarHBondContact O-CD2 3.09Å; I410-Y414 PolarHBondContact O-N 3.04Å; I410-F426 HydrophobicContact CG2-CE2 4.12Å; I410-L433 HydrophobicContact CB-CD1 4.47Å; I410-L433 HydrophobicContact CG1-CD1 3.78Å; I410-L433 HydrophobicContact CG1-CD2 4.35Å; I410-I648 HydrophobicContact CG2-CD1 4.28Å
411K86.7Confident83Confident37 Ų3760.8 Ų60.816%0.16133%0.329CS..Hα-helixtrans-58.2-53.7178.6-167.3-167.1-178.9-168.30110.6W407 A413 Y414 E415 L641 D643W407-K411 WeakPolarHBondContact O-CB 3.5Å; W407-K411 PolarHBondContact O-N 3.1Å; K411-A413 PolarHBondContact O-N 3.38Å; K411-Y414 PolarHBondContact O-N 3.43Å; K411-E415 VanDerWaalsContact CE-OE1 3.26Å; K411-E415 WeakPolarHBondContact CE-OE1 3.29Å; K411-E415 WeakPolarHBondContact O-CG 3.17Å; K411-E415 PolarHBondContact O-N 2.99Å; K411-L641 HydrophobicContact CD-CB 4.36Å; K411-L641 WeakPolarHBondContact CE-O 3.43Å; K411-L641 HydrophobicContact CG-CB 3.74Å; K411-L641 HydrophobicContact CG-CD1 4Å; K411-L641 HydrophobicContact CG-CG 4.43Å; K411-L641 PolarHBondContact NZ-O 2.76Å; K411-D643 IonicContact NZ-OD1 2.71Å; K411-D643 PolarHBondContact NZ-OD1 3.01Å
412L85.9Confident81.5Confident94 Ų9462.6 Ų62.649%0.49234%0.337SS..Hα-helixtrans-58.2-45.9176.5-73.9169.5000111.9S408 Y414 E415 N416S408-L412 WeakPolarHBondContact O-CG 3.44Å; S408-L412 PolarHBondContact O-N 3.35Å; L412-Y414 PolarHBondContact O-N 3.02Å; L412-E415 PolarHBondContact O-N 3.26Å; L412-N416 WeakPolarHBondContact O-CB 3.49Å; L412-N416 VanDerWaalsContact O-CG 3.22Å; L412-N416 PolarHBondContact O-N 3.06Å; L412-N416 PolarHBondContact O-ND2 3.26Å
413A85.9Confident79.9Confident0 Ų066.8 Ų66.80%036%0.364CS..Hα-helixtrans-62.6-40.6179.300000112.7T409 I410 K411 N416 I417 M428 L433 F436T409-A413 WeakPolarHBondContact O-CB 2.9Å; T409-A413 PolarHBondContact O-N 3.23Å; I410-A413 PolarHBondContact O-N 3.04Å; K411-A413 PolarHBondContact O-N 3.38Å; A413-N416 PolarHBondContact O-N 2.79Å; A413-I417 WeakPolarHBondContact O-CB 3.38Å; A413-I417 WeakPolarHBondContact O-CD1 3.48Å; A413-I417 WeakPolarHBondContact O-CG1 3.21Å; A413-I417 PolarHBondContact O-N 2.83Å; A413-M428 HydrophobicContact CB-CE 3.51Å; A413-L433 HydrophobicContact CB-CD1 3.87Å; A413-F436 HydrophobicContact CB-CB 3.91Å
414Y85.1Confident79Confident3 Ų365.7 Ų65.71%0.01235%0.353CS..Hα-helixtrans-72.5-39.1175.5-87.8-74.2000113.8I410 K411 L412 N416 I417 L418 V425 F426 M428 I648 L650I410-Y414 HydrophobicContact CG2-CD2 3.75Å; I410-Y414 HydrophobicContact CG2-CE2 3.95Å; I410-Y414 WeakPolarHBondContact O-CD2 3.09Å; I410-Y414 PolarHBondContact O-N 3.04Å; K411-Y414 PolarHBondContact O-N 3.43Å; L412-Y414 PolarHBondContact O-N 3.02Å; Y414-N416 PolarHBondContact O-N 3.41Å; Y414-I417 PolarHBondContact O-N 3.39Å; Y414-L418 WeakPolarHBondContact O-CB 3.45Å; Y414-L418 VanDerWaalsContact O-CG 3.24Å; Y414-L418 WeakPolarHBondContact O-CG 3.38Å; Y414-L418 PolarHBondContact O-N 3.12Å; Y414-V425 VanDerWaalsContact OH-C 3.29Å; Y414-V425 PolarHBondContact OH-O 3.49Å; Y414-F426 AromaticContact CE2-CD2 3.67Å; Y414-F426 HydrophobicContact CE2-CD2 3.67Å; Y414-F426 HydrophobicContact CE2-CE2 4.26Å; Y414-F426 AromaticContact CZ-CD2 3.89Å; Y414-F426 WeakPolarHBondContact OH-CA 3.47Å; Y414-F426 WeakPolarHBondContact OH-CB 3.49Å; Y414-F426 PolarHBondContact OH-N 2.86Å; Y414-M428 HydrophobicContact CD2-CE 3.64Å; Y414-M428 HydrophobicContact CD2-SD 4.34Å; Y414-M428 HydrophobicContact CE1-CG 4.44Å; Y414-M428 HydrophobicContact CE1-SD 4.19Å; Y414-M428 HydrophobicContact CE2-CE 3.46Å; Y414-M428 VanDerWaalsContact CE2-CE 3.46Å; Y414-M428 HydrophobicContact CE2-CG 3.88Å; Y414-M428 HydrophobicContact CE2-SD 3.87Å; Y414-M428 HydrophobicContact CG-CE 4.34Å; Y414-M428 VanDerWaalsContact OH-CG 3.29Å; Y414-M428 WeakPolarHBondContact OH-CG 3.33Å; Y414-I648 HydrophobicContact CD1-CD1 4.41Å; Y414-I648 HydrophobicContact CD1-CG2 4.47Å; Y414-I648 HydrophobicContact CD2-CD1 3.35Å; Y414-I648 HydrophobicContact CE1-CG2 4.4Å; Y414-I648 HydrophobicContact CE2-CD1 3.8Å; Y414-I648 HydrophobicContact CG-CD1 3.69Å; Y414-L650 HydrophobicContact CD1-CD1 4.44Å; Y414-L650 HydrophobicContact CE1-CD1 3.78Å
415E84.5Confident78.6Confident56 Ų5661.6 Ų61.626%0.26233%0.332SS..Hα-helixtrans-61.7-33.6174-72.1180171.200111.2K411 L412 T640 L641K411-E415 VanDerWaalsContact CE-OE1 3.26Å; K411-E415 WeakPolarHBondContact CE-OE1 3.29Å; K411-E415 WeakPolarHBondContact O-CG 3.17Å; K411-E415 PolarHBondContact O-N 2.99Å; L412-E415 PolarHBondContact O-N 3.26Å; E415-T640 WeakPolarHBondContact OE1-CA 3.2Å; E415-L641 HydrophobicContact CG-CB 4.5Å; E415-L641 HydrophobicContact CG-CD1 4.04Å; E415-L641 HydrophobicContact CG-CG 3.92Å; E415-L641 PolarHBondContact OE1-N 2.93Å
416N82.5Confident78.6Confident81 Ų8153.7 Ų53.743%0.43330%0.295SS..Hα-helixtrans-72.8-39171.3-70.1-23.1000113.3L412 A413 Y414 A419 S420 F436L412-N416 WeakPolarHBondContact O-CB 3.49Å; L412-N416 VanDerWaalsContact O-CG 3.22Å; L412-N416 PolarHBondContact O-N 3.06Å; L412-N416 PolarHBondContact O-ND2 3.26Å; A413-N416 PolarHBondContact O-N 2.79Å; Y414-N416 PolarHBondContact O-N 3.41Å; N416-A419 WeakPolarHBondContact O-CB 3.2Å; N416-A419 PolarHBondContact O-N 3.36Å; N416-A419 VanDerWaalsContact O-N 3.15Å; N416-S420 PolarHBondContact O-N 3.38Å; N416-F436 PolarHBondContact ND2-O 2.86Å
417I78.9Confident78.4Confident5 Ų550.4 Ų50.43%0.02628%0.283CS..Hα-helixtrans-70.2-34.7178.5-72.1161.6000112.4A413 Y414 A419 S420 K421 M428 F436A413-I417 WeakPolarHBondContact O-CB 3.38Å; A413-I417 WeakPolarHBondContact O-CD1 3.48Å; A413-I417 WeakPolarHBondContact O-CG1 3.21Å; A413-I417 PolarHBondContact O-N 2.83Å; Y414-I417 PolarHBondContact O-N 3.39Å; I417-A419 PolarHBondContact O-N 2.78Å; I417-A419 VanDerWaalsContact O-N 3.17Å; I417-S420 WeakPolarHBondContact CA-OG 3.32Å; I417-S420 PolarHBondContact O-N 3.16Å; I417-S420 PolarHBondContact O-OG 2.85Å; I417-K421 PolarHBondContact O-N 2.76Å; I417-M428 HydrophobicContact CD1-CE 4.14Å; I417-M428 HydrophobicContact CD1-SD 3.2Å; I417-M428 WeakPolarHBondContact CD1-SD 3.19Å; I417-F436 HydrophobicContact CD1-CB 3.92Å; I417-F436 HydrophobicContact CD1-CD2 3.54Å; I417-F436 HydrophobicContact CD1-CE2 4.16Å; I417-F436 HydrophobicContact CD1-CG 3.74Å; I417-F436 HydrophobicContact CG1-CB 3.9Å; I417-F436 HydrophobicContact CG1-CD1 3.73Å; I417-F436 HydrophobicContact CG1-CD2 3.54Å; I417-F436 HydrophobicContact CG1-CE1 4.1Å; I417-F436 HydrophobicContact CG1-CE2 3.92Å; I417-F436 HydrophobicContact CG1-CG 3.43Å; I417-F436 VanDerWaalsContact CG1-CG 3.43Å; I417-F436 HydrophobicContact CG1-CZ 4.18Å
418L73.7Confident78Confident45 Ų4551.7 Ų51.724%0.23629%0.289CS..Hα-helixtrans-61.2-20.5172-71.9167.3000112.2I224 Y414 L639 L650I224-L418 HydrophobicContact CD1-CD1 4.29Å; I224-L418 HydrophobicContact CG2-CD2 4.29Å; Y414-L418 WeakPolarHBondContact O-CB 3.45Å; Y414-L418 VanDerWaalsContact O-CG 3.24Å; Y414-L418 WeakPolarHBondContact O-CG 3.38Å; Y414-L418 PolarHBondContact O-N 3.12Å; L418-L639 HydrophobicContact CD1-CB 4.34Å; L418-L650 HydrophobicContact CD2-CD2 4.39Å
419A69.4Low77.8Confident84 Ų8450 Ų5069%0.69428%0.277SS*.Hα-helixtrans-92.1-28169.600000114.3N416 I417N416-A419 WeakPolarHBondContact O-CB 3.2Å; N416-A419 PolarHBondContact O-N 3.36Å; N416-A419 VanDerWaalsContact O-N 3.15Å; I417-A419 PolarHBondContact O-N 2.78Å; I417-A419 VanDerWaalsContact O-N 3.17Å
420S64.6Low77.4Confident50 Ų5052.6 Ų52.635%0.3530%0.295SS..Hα-helixtrans-90.8-12.2-171.577.30000116.2N416 I417 E422 F436N416-S420 PolarHBondContact O-N 3.38Å; I417-S420 WeakPolarHBondContact CA-OG 3.32Å; I417-S420 PolarHBondContact O-N 3.16Å; I417-S420 PolarHBondContact O-OG 2.85Å; S420-E422 PolarHBondContact O-N 2.73Å; S420-F436 WeakPolarHBondContact OG-CE1 3.46Å
421K63.4Low77Confident165 Ų16555 Ų5572%0.71731%0.314SS*.  trans64.23.5-177.1-56.1-170.5176.7-168.80116.5I417I417-K421 PolarHBondContact O-N 2.76Å
422E57.8Low76.7Confident73 Ų7356 Ų5634%0.34132%0.321SS..  trans-67.4163.7176.9-103.7-173.2-123.700113.6S420 K424 K435 F436S420-E422 PolarHBondContact O-N 2.73Å; E422-K424 WeakPolarHBondContact O-CG 3.43Å; E422-K435 IonicContact OE1-NZ 2.66Å; E422-K435 PolarHBondContact OE1-NZ 2.9Å; E422-K435 IonicContact OE2-NZ 2.84Å; E422-K435 PolarHBondContact OE2-NZ 3.45Å; E422-F436 HydrophobicContact CB-CE2 4.37Å; E422-F436 HydrophobicContact CB-CZ 3.93Å; E422-F436 HydrophobicContact CG-CZ 4.29Å; E422-F436 WeakPolarHBondContact OE2-CE2 3.4Å; E422-F436 WeakPolarHBondContact OE2-CZ 3.48Å
423P54.8Low76.6Confident101 Ų10153.5 Ų53.566%0.65631%0.308SS*.  trans-66.4138.3-162.724-34.1000114.9
424K70.3Confident76.4Confident54 Ų5459.4 Ų59.424%0.23533%0.333CS..  trans-114.497.6-155.1-46.3-179.8-167.2176.70111.3E226 E422 L650E226-K424 WeakPolarHBondContact OE1-CD 3.5Å; E226-K424 WeakPolarHBondContact OE1-CE 3.47Å; E226-K424 IonicContact OE1-NZ 3.56Å; E226-K424 PolarHBondContact OE1-NZ 3.29Å; E226-K424 IonicContact OE2-NZ 3.9Å; E226-K424 PolarHBondContact OE2-NZ 3.13Å; E422-K424 WeakPolarHBondContact O-CG 3.43Å; K424-L650 HydrophobicContact CB-CD1 4.2Å
425V78.2Confident76.2Confident33 Ų3363.5 Ų63.520%0.235%0.351CS..  trans-145.1133.4-179.6178.90000110.6K325 G329 D331 Y414 P427K325-V425 HydrophobicContact CG-CG1 4.24Å; K325-V425 HydrophobicContact CG-CG2 4.4Å; G329-V425 CarbonylContact O-C 3.57Å; G329-V425 VanDerWaalsContact O-CA 3.25Å; G329-V425 WeakPolarHBondContact O-CA 3.23Å; D331-V425 HydrophobicContact CB-CG1 3.61Å; Y414-V425 VanDerWaalsContact OH-C 3.29Å; Y414-V425 PolarHBondContact OH-O 3.49Å; V425-P427 CarbonylContact O-C 3.5Å
426F85.8Confident75.9Confident5 Ų562 Ų622%0.02234%0.344CS..BIsolated β-bridgetrans-105.7139.6172.3-172.3-80.6000111.3G329 L330 D331 I410 Y414 I647 I648G329-F426 PolarHBondContact O-N 3.25Å; L330-F426 HydrophobicContact CD1-CB 4.33Å; L330-F426 HydrophobicContact CD1-CD1 3.83Å; D331-F426 PolarHBondContact N-O 3.3Å; I410-F426 HydrophobicContact CG2-CE2 4.12Å; Y414-F426 AromaticContact CE2-CD2 3.67Å; Y414-F426 HydrophobicContact CE2-CD2 3.67Å; Y414-F426 HydrophobicContact CE2-CE2 4.26Å; Y414-F426 AromaticContact CZ-CD2 3.89Å; Y414-F426 WeakPolarHBondContact OH-CA 3.47Å; Y414-F426 WeakPolarHBondContact OH-CB 3.49Å; Y414-F426 PolarHBondContact OH-N 2.86Å; F426-I647 HydrophobicContact CD1-CG2 3.95Å; F426-I647 HydrophobicContact CE1-CB 4.2Å; F426-I647 HydrophobicContact CE1-CG1 3.85Å; F426-I647 HydrophobicContact CE1-CG2 4.05Å; F426-I647 HydrophobicContact CZ-CG1 4.41Å; F426-I648 WeakPolarHBondContact CB-O 3.47Å; F426-I648 HydrophobicContact CD2-CB 3.74Å; F426-I648 HydrophobicContact CD2-CD1 4.34Å; F426-I648 HydrophobicContact CD2-CG1 4.32Å; F426-I648 HydrophobicContact CE2-CB 4.29Å; F426-I648 HydrophobicContact CE2-CD1 4.4Å; F426-I648 HydrophobicContact CE2-CG1 4.43Å; F426-I648 HydrophobicContact CG-CB 4.3Å
427P84.6Confident75.7Confident32 Ų3258.9 Ų58.921%0.20833%0.328CS..SBendcis-68.9160.6-11.831.7-35.8000111.1D331 Y334 V425D331-P427 WeakPolarHBondContact O-CD 3.23Å; Y334-P427 HydrophobicContact CD2-CG 3.42Å; Y334-P427 VanDerWaalsContact CD2-CG 3.42Å; Y334-P427 HydrophobicContact CE2-CG 3.69Å; Y334-P427 HydrophobicContact CG-CG 4.06Å; V425-P427 CarbonylContact O-C 3.5Å
428M81.1Confident75.2Confident31 Ų3160.1 Ų60.115%0.15334%0.343CS..PPolyproline II helixtrans-82153.4176.7-64.3-169.8-73.600111.1A413 Y414 I417 L433A413-M428 HydrophobicContact CB-CE 3.51Å; Y414-M428 HydrophobicContact CD2-CE 3.64Å; Y414-M428 HydrophobicContact CD2-SD 4.34Å; Y414-M428 HydrophobicContact CE1-CG 4.44Å; Y414-M428 HydrophobicContact CE1-SD 4.19Å; Y414-M428 HydrophobicContact CE2-CE 3.46Å; Y414-M428 VanDerWaalsContact CE2-CE 3.46Å; Y414-M428 HydrophobicContact CE2-CG 3.88Å; Y414-M428 HydrophobicContact CE2-SD 3.87Å; Y414-M428 HydrophobicContact CG-CE 4.34Å; Y414-M428 VanDerWaalsContact OH-CG 3.29Å; Y414-M428 WeakPolarHBondContact OH-CG 3.33Å; I417-M428 HydrophobicContact CD1-CE 4.14Å; I417-M428 HydrophobicContact CD1-SD 3.2Å; I417-M428 WeakPolarHBondContact CD1-SD 3.19Å; M428-L433 HydrophobicContact CE-CD1 3.74Å
429S82.6Confident74.8Confident36 Ų3663.1 Ų63.125%0.25236%0.359SS..PPolyproline II helixtrans-61.8148.4167.263.80000110.4S431 N432 L433S429-S431 PolarHBondContact O-N 3.38Å; S429-S431 VanDerWaalsContact O-N 3.14Å; S429-S431 PolarHBondContact OG-OG 3.48Å; S429-N432 PolarHBondContact O-N 3.34Å; S429-N432 VanDerWaalsContact O-N 3.08Å; S429-N432 WeakPolarHBondContact OG-CB 3.48Å; S429-N432 PolarHBondContact OG-N 3.08Å; S429-N432 PolarHBondContact OG-OD1 2.98Å; S429-L433 PolarHBondContact O-N 2.92Å
430P80.8Confident74.3Confident98 Ų9865.4 Ų65.464%0.63636%0.355SS*.Hα-helixtrans-63.3-20.9179.324.3-34.1000113.2K434P430-K434 WeakPolarHBondContact O-CG 3.42Å; P430-K434 PolarHBondContact O-N 3.16Å
431S80.4Confident73.5Confident73 Ų7367.9 Ų67.951%0.5137%0.372SS..Hα-helixtrans-67.9-52169.653.60000112S429 L433 K434 K435S429-S431 PolarHBondContact O-N 3.38Å; S429-S431 VanDerWaalsContact O-N 3.14Å; S429-S431 PolarHBondContact OG-OG 3.48Å; S431-L433 VanDerWaalsContact C-N 3.34Å; S431-L433 PolarHBondContact O-N 3.35Å; S431-K434 PolarHBondContact O-N 3.35Å; S431-K435 PolarHBondContact O-N 3.14Å; S431-K435 VanDerWaalsContact O-N 3.1Å
432N81Confident72.5Confident56 Ų5664.7 Ų64.730%0.29938%0.376SS..Hα-helixtrans-68.2-36.6-177.8-67.87.9000111.2S429 K434 K435 F436S429-N432 PolarHBondContact O-N 3.34Å; S429-N432 VanDerWaalsContact O-N 3.08Å; S429-N432 WeakPolarHBondContact OG-CB 3.48Å; S429-N432 PolarHBondContact OG-N 3.08Å; S429-N432 PolarHBondContact OG-OD1 2.98Å; N432-K434 PolarHBondContact O-N 2.7Å; N432-K435 PolarHBondContact O-N 3.04Å; N432-F436 WeakPolarHBondContact O-CD2 3.48Å; N432-F436 PolarHBondContact O-N 2.84Å
433L82.7Confident71.5Confident42 Ų4266 Ų6622%0.2239%0.394CS..Hα-helixtrans-57.6-47.7174.8-177.562000111.4T409 I410 A413 M428 S429 S431 F436 S437T409-L433 HydrophobicContact CG2-CD1 4.07Å; T409-L433 HydrophobicContact CG2-CG 4.22Å; I410-L433 HydrophobicContact CB-CD1 4.47Å; I410-L433 HydrophobicContact CG1-CD1 3.78Å; I410-L433 HydrophobicContact CG1-CD2 4.35Å; A413-L433 HydrophobicContact CB-CD1 3.87Å; M428-L433 HydrophobicContact CE-CD1 3.74Å; S429-L433 PolarHBondContact O-N 2.92Å; S431-L433 VanDerWaalsContact C-N 3.34Å; S431-L433 PolarHBondContact O-N 3.35Å; L433-F436 PolarHBondContact O-N 3.14Å; L433-S437 WeakPolarHBondContact O-CB 3.39Å; L433-S437 PolarHBondContact O-N 3.29Å; L433-S437 PolarHBondContact O-OG 2.88Å
434K82.2Confident70.3Confident124 Ų12471.2 Ų71.254%0.53941%0.406SS..Hα-helixtrans-65.1-44.7178.3-74178.7178.7-174.40113.2P430 S431 N432 F436 S437 L439P430-K434 WeakPolarHBondContact O-CG 3.42Å; P430-K434 PolarHBondContact O-N 3.16Å; S431-K434 PolarHBondContact O-N 3.35Å; N432-K434 PolarHBondContact O-N 2.7Å; K434-F436 VanDerWaalsContact C-N 3.34Å; K434-F436 PolarHBondContact O-N 3.38Å; K434-S437 PolarHBondContact O-OG 3.17Å; K434-L439 PolarHBondContact O-N 2.79Å
435K82.1Confident68.6Low90 Ų9072 Ų7239%0.39143%0.43SS..Hα-helixtrans-54.7-47.9175.6175-175.2170.6-173.40111.5E422 S431 N432E422-K435 IonicContact OE1-NZ 2.66Å; E422-K435 PolarHBondContact OE1-NZ 2.9Å; E422-K435 IonicContact OE2-NZ 2.84Å; E422-K435 PolarHBondContact OE2-NZ 3.45Å; S431-K435 PolarHBondContact O-N 3.14Å; S431-K435 VanDerWaalsContact O-N 3.1Å; N432-K435 PolarHBondContact O-N 3.04Å
436F78.1Confident66.5Low23 Ų2377.9 Ų77.910%0.10147%0.466CS..Hα-helixtrans-91.8-18.2-172.8-72.6-66.2000115.3A413 N416 I417 S420 E422 N432 L433 K434 G438A413-F436 HydrophobicContact CB-CB 3.91Å; N416-F436 PolarHBondContact ND2-O 2.86Å; I417-F436 HydrophobicContact CD1-CB 3.92Å; I417-F436 HydrophobicContact CD1-CD2 3.54Å; I417-F436 HydrophobicContact CD1-CE2 4.16Å; I417-F436 HydrophobicContact CD1-CG 3.74Å; I417-F436 HydrophobicContact CG1-CB 3.9Å; I417-F436 HydrophobicContact CG1-CD1 3.73Å; I417-F436 HydrophobicContact CG1-CD2 3.54Å; I417-F436 HydrophobicContact CG1-CE1 4.1Å; I417-F436 HydrophobicContact CG1-CE2 3.92Å; I417-F436 HydrophobicContact CG1-CG 3.43Å; I417-F436 VanDerWaalsContact CG1-CG 3.43Å; I417-F436 HydrophobicContact CG1-CZ 4.18Å; S420-F436 WeakPolarHBondContact OG-CE1 3.46Å; E422-F436 HydrophobicContact CB-CE2 4.37Å; E422-F436 HydrophobicContact CB-CZ 3.93Å; E422-F436 HydrophobicContact CG-CZ 4.29Å; E422-F436 WeakPolarHBondContact OE2-CE2 3.4Å; E422-F436 WeakPolarHBondContact OE2-CZ 3.48Å; N432-F436 WeakPolarHBondContact O-CD2 3.48Å; N432-F436 PolarHBondContact O-N 2.84Å; L433-F436 PolarHBondContact O-N 3.14Å; K434-F436 VanDerWaalsContact C-N 3.34Å; K434-F436 PolarHBondContact O-N 3.38Å; F436-G438 VanDerWaalsContact C-N 3.26Å; F436-G438 PolarHBondContact O-N 3.45Å
437S77.5Confident64Low16 Ų1681 Ų8111%0.11250%0.5CS..Hα-helixtrans-79.8-6.117271.90000113.7T409 L433 K434 L439T409-S437 VanDerWaalsContact CG2-CB 3.46Å; L433-S437 WeakPolarHBondContact O-CB 3.39Å; L433-S437 PolarHBondContact O-N 3.29Å; L433-S437 PolarHBondContact O-OG 2.88Å; K434-S437 PolarHBondContact O-OG 3.17Å; S437-L439 VanDerWaalsContact C-N 3.33Å; S437-L439 PolarHBondContact O-N 3.21Å; S437-L439 WeakPolarHBondContact OG-CD1 3.39Å
438G68.2Low61.4Low32 Ų3288 Ų8833%0.3354%0.536SS..THydrogen-bonded Turntrans78.19.7-179.500000115F436 E440 S441F436-G438 VanDerWaalsContact C-N 3.26Å; F436-G438 PolarHBondContact O-N 3.45Å; G438-E440 PolarHBondContact O-N 3.39Å; G438-S441 VanDerWaalsContact O-CB 3.3Å; G438-S441 WeakPolarHBondContact O-CB 3.5Å; G438-S441 PolarHBondContact O-N 3.04Å; G438-S441 VanDerWaalsContact O-N 3.11Å; G438-S441 PolarHBondContact O-OG 3.47Å
439L65.7Low59.2Low108 Ų10890 Ų9057%0.56556%0.564SS**G310 helixtrans-65.6-20.4-178.1-105.274.9000113.4K434 S437 S441K434-L439 PolarHBondContact O-N 2.79Å; S437-L439 VanDerWaalsContact C-N 3.33Å; S437-L439 PolarHBondContact O-N 3.21Å; S437-L439 WeakPolarHBondContact OG-CD1 3.39Å; L439-S441 PolarHBondContact O-N 3.06Å
440E57.6Low56.8Low132 Ų13298 Ų9862%0.61759%0.594SS**G310 helixtrans-70.6-14.4175.4-59.9-173.7133.800113.1G438 A442G438-E440 PolarHBondContact O-N 3.39Å; E440-A442 PolarHBondContact O-N 3.42Å
441S48.8Very low54.5Low101 Ų101101.5 Ų101.571%0.70661%0.607SS**G310 helixtrans-72.8-12.5-176.2-41.60000114.2G438 L439G438-S441 VanDerWaalsContact O-CB 3.3Å; G438-S441 WeakPolarHBondContact O-CB 3.5Å; G438-S441 PolarHBondContact O-N 3.04Å; G438-S441 VanDerWaalsContact O-N 3.11Å; G438-S441 PolarHBondContact O-OG 3.47Å; L439-S441 PolarHBondContact O-N 3.06Å
442A42.6Very low51.9Low98 Ų98104.9 Ų104.981%0.8162%0.619SS**G310 helixtrans-87.4-0-169.100000114.9E440E440-A442 PolarHBondContact O-N 3.42Å
443S35.7Very low49.5Very low102 Ų102109.5 Ų109.571%0.71365%0.649SS**SBendtrans-136.650.6-173.6690000114.5
444K30.9Very low47Very low209 Ų209112.7 Ų112.791%0.90967%0.67SS**  trans-157.7124.5162.6-114.3162.2-174.1173.60112.4
445G34Very low44.7Very low72 Ų72112.1 Ų112.174%0.74268%0.681SS**  trans107.4128.5-171.400000111.1
446T35Very low42.1Very low156 Ų156115.9 Ų115.996%0.95770%0.7SS**  cis-154.9144.58.1-60.90000110.6
447G33.1Very low40Very low70 Ų70122.3 Ų122.372%0.72274%0.735SS**  trans126.8103156.600000116.7
448D29.6Very low37.7Very low180 Ų180127.7 Ų127.796%0.96376%0.763SS**  trans-69.1126.4160.1-77.6-69.6000110.3
449G35.8Very low35.6Very low73 Ų73132.1 Ų132.175%0.75379%0.788SS**  trans-151.612.8-164.900000118.2
450K31.3Very low34Very low203 Ų203133.9 Ų133.988%0.88380%0.798SS**  trans27.295.2161.3-170.1-174.7-176.21770118.3
451L31.4Very low32.5Very low172 Ų172135.2 Ų135.290%0.90181%0.809SS**  trans-159.7145.1145.5-111.1172.1000111.2
452N25.9Very low31.6Very low144 Ų144137.2 Ų137.277%0.7781%0.811SS**  trans-101.3137.8-174.3-66.3-3.6000112.6
453V32.1Very low31Very low153 Ų153140.9 Ų140.993%0.92781%0.809SS**  trans-140.6149.5143.8-177.10000107.4
454V29.9Very low30.4Very low108 Ų108141.7 Ų141.766%0.65581%0.814SS**  trans-119.8136.6-164.5174.10000113E456V454-E456 HydrophobicContact CG1-CG 4.11Å
455S32.5Very low30.6Very low112 Ų112136.8 Ų136.878%0.78380%0.804SS**  trans-178.297.2148.818.50000107.4
456E28Very low30.5Very low169 Ų169138.3 Ų138.379%0.7980%0.799SS**  61.699.981.2-67.4-168.4153.300114.5V454V454-E456 HydrophobicContact CG1-CG 4.11Å
457L34.5Very low30.4Very low159 Ų159138.5 Ų138.583%0.83279%0.789SS**  -172.9116.7104.8-98.5164.4000113.1
458D29.4Very low30.2Very low129 Ų129140.5 Ų140.569%0.6978%0.783SS**  trans25.7119154.4-64-16.3000122.8
459S24.8Very low30.3Very low124 Ų124138.6 Ų138.687%0.86777%0.773SS**  -128.9127.7125.562.10000108.3
460N30.2Very low30.1Very low145 Ų145139.2 Ų139.278%0.77577%0.771SS**  trans-115133.3-171.8-114.2-50.6000112
461L27Very low30.1Very low160 Ų160137.4 Ų137.484%0.83877%0.765SS**  trans-116.8132.1-174-175.188.4000110
462L30.2Very low30.2Very low143 Ų143136.5 Ų136.575%0.74976%0.756SS**  trans-160134.4172.7-131.670.9000109.9
463K29.8Very low30.3Very low176 Ų176136.5 Ų136.577%0.76576%0.756SS**  cis-161.8150.5-18.6-121176.1-167.6169.80108.1
464S24Very low30.4Very low119 Ų119134.3 Ų134.383%0.83275%0.748SS**  trans-150.7108.3158.9570000111.1
465P34.8Very low30.4Very low106 Ų106136.3 Ų136.369%0.68876%0.755SS**  trans-106163.7172.237.6-30.3000112.6
466T31.1Very low30.4Very low103 Ų103136.4 Ų136.463%0.63275%0.751SS**  cis-176.2127.3-18.1-85.30000107.5
467Q32.5Very low30.7Very low161 Ų161133.3 Ų133.375%0.75275%0.748SS**  trans62.3160.5160.8-67.9177.8-89.200118.2
468D29.8Very low30.5Very low111 Ų111133.6 Ų133.659%0.59474%0.742SS**  cis-159.9159.7-16.4-111.1-9.3000112.9
469N31.4Very low30.6Very low140 Ų140134.5 Ų134.575%0.74974%0.744SS**  trans61.2111.2146.8-65.7-36.9000123.9
470A32.1Very low30.9Very low87 Ų87135 Ų13572%0.71974%0.737SS**  95.7120.6113.300000123.5
471H32Very low30.9Very low165 Ų165136.8 Ų136.876%0.76474%0.741SS**  trans68126.1144.1-83.9-94.7000124.5
472E31.6Very low31.1Very low153 Ų153132 Ų13272%0.71573%0.729SS**  trans74.2110.1140.6-83.1162-130.900123.5
473D30Very low31.3Very low144 Ų144131.2 Ų131.277%0.7773%0.726SS**  65.7104124.3-71.621.5000123.1
474S34.1Very low31.4Very low106 Ų106132 Ų13274%0.74173%0.729SS**  103.9119.3122.780.60000120.7
475N29.3Very low31.8Very low150 Ų150130.9 Ų130.980%0.80272%0.722SS**  trans80137133.6-96.4-27.6000123.9
476V31.9Very low31.6Very low115 Ų115131.7 Ų131.770%0.69773%0.725SS**  trans84.5101143.71750000120.5
477S33.7Very low31.6Very low104 Ų104132 Ų13273%0.72773%0.726SS**  trans73166.5140.188.20000118.5
478K31.7Very low31.6Very low165 Ų165132.7 Ų132.772%0.71773%0.729SS**  cis-168.5146.2-19.7-125.9-176.1163.9-162.60109.3
479M30.1Very low31.6Very low148 Ų148131.9 Ų131.973%0.72974%0.738SS**  trans60.1167.4157.1-78.6136.616800116.3
480D31.6Very low31.8Very low133 Ų133130.8 Ų130.871%0.71174%0.739SS**  cis-140.8136.81.6-1193.4000107.5
481E30.9Very low31.5Very low184 Ų184132.9 Ų132.986%0.8674%0.742SS**  75.9142.686.6-87.3-121.7-170.500118.3
482G31Very low31.2Very low58 Ų58133 Ų13360%0.59874%0.743SS**  trans100.1132.1170.900000116.5
483N33.3Very low31Very low128 Ų128136.5 Ų136.568%0.68476%0.756SS**  cis-157143.4-4.9-108.3-62.2000112
484K32.7Very low30.8Very low192 Ų192137 Ų13784%0.83575%0.754SS**  trans32.6148.1136.2-65.6171.1-174136.90120.6
485S32.7Very low30.3Very low96 Ų96142.1 Ų142.167%0.67176%0.757SS**  cis-164.415528.498.30000114.1
486T29.3Very low30.1Very low122 Ų122139.7 Ų139.775%0.74875%0.752SS**  trans47.4136.5139.3-80000119.1
487V32.7Very low30.1Very low109 Ų109139.2 Ų139.266%0.66175%0.754SS**  -164.5144.157.1175.10000112.3
488Q32.7Very low29.9Very low176 Ų176140 Ų14082%0.82276%0.756SS**  trans50.8120.8157-70.9162.6-1.500123.8
489A29.1Very low29.6Very low94 Ų94142.5 Ų142.578%0.77776%0.763SS**  66.1158.5114.200000121.6
490P35.2Very low29.6Very low118 Ų118143.3 Ų143.377%0.76677%0.769SS**  trans-123.8-160.3-151.743.5-29.1000115.4
491V26Very low29.4Very low131 Ų131141.4 Ų141.479%0.79477%0.772SS**  trans102.8153.5171.3-168.50000114.2
492E26.6Very low29.2Very low167 Ų167135.8 Ų135.878%0.7876%0.763SS**  trans77.2105.5177.6-52.9-153.6154.100119.3
493F25.6Very low29.2Very low226 Ų226141.6 Ų141.699%0.99178%0.775SS**  -132.1111.9127.3-120.9-80.4000108.1
494H26.7Very low28.8Very low155 Ų155143.3 Ų143.372%0.71878%0.778SS**  trans-139.1135.7-175.4-146.9-39.8000110.7
495R24.2Very low28.7Very low213 Ų213140.9 Ų140.980%0.80478%0.78SS**  trans76.6127.3151-123.9-176-165.1154.84.7120.4
496S25Very low28.4Very low100 Ų100142 Ų14270%0.69978%0.782SS**  trans62.6138.313552.70000122.8
497S30.8Very low28.8Very low105 Ų105142.2 Ų142.273%0.73479%0.786SS**  trans-59.3152.4161176.10000112.7
498P29.6Very low28.7Very low119 Ų119146.4 Ų146.477%0.77380%0.795SS**  -141.1178116.939.4-27.3000115.2
499Y25.5Very low28.4Very low219 Ų219144.2 Ų144.286%0.85979%0.794SS**  trans-86.7149.4172.1-99.6-109.6000113
500L31.2Very low28.4Very low164 Ų164144.5 Ų144.586%0.85980%0.796SS**  trans-173.2132.2151.9-98.1151.9000106
501A26Very low28.1Very low93 Ų93143.4 Ų143.477%0.76980%0.797SS**  cis86.6118.61900000116
502G28.5Very low28.3Very low66 Ų66145.4 Ų145.468%0.6880%0.801SS**  trans156.795.2-178.300000110.2
503Q29.5Very low28.6Very low180 Ų180141.6 Ų141.684%0.84179%0.793SS**  67.8117.4103.1-71.8-178.8-34.900114.6
504E24.5Very low28.8Very low164 Ų164138.5 Ų138.577%0.76678%0.782SS**  cis91.8121.237.4-173.4-177-12800113.8
505T31.4Very low29.1Very low141 Ų141137.1 Ų137.187%0.86579%0.785SS**  trans-148.3131.3166.654.60000111.8
506V27Very low29.2Very low119 Ų119135.6 Ų135.672%0.72179%0.786SS**  trans-133.3141.8175179.80000109.6
507P37.4Very low29.5Very low128 Ų128138.6 Ų138.683%0.83180%0.795SS**  trans-86.7159.2176.6-3.922.9000114.6
508K29.7Very low29.3Very low196 Ų196136.7 Ų136.785%0.85279%0.791SS**  trans-140.6158.2-172.8-82.3-174.3173-179.60111.4
509V27.3Very low29.3Very low131 Ų131141 Ų14179%0.79480%0.798SS**  cis-169.6155.4-19.562.40000108.1
510A29.9Very low29.3Very low100 Ų100139 Ų13983%0.82680%0.797SS**  trans-151.8155166.600000111.5
511A27.8Very low29.2Very low94 Ų94137 Ų13778%0.77780%0.796SS**  trans-150.9157.7179.400000111.2
512I30.7Very low29.3Very low173 Ų173138.7 Ų138.789%0.88780%0.797SS**  trans-164.5154.4160.2-97.8145.4000107.7
513S33.2Very low29.3Very low87 Ų87142.7 Ų142.761%0.60880%0.803SS**  trans-92.4-171.8-175.8500000112.8
514E29.3Very low29.2Very low161 Ų161141.3 Ų141.375%0.75280%0.801SS**  cis-164.6-169.914.4-140.4142.8-9800110.6
515T32.4Very low29.4Very low127 Ų127138.1 Ų138.178%0.77980%0.802SS**  trans71.4132.8176.565.50000116.9
516E27.6Very low29.4Very low180 Ų180136.3 Ų136.384%0.84180%0.801SS**  cis105.7157.521.3-68.8-160.6151.400115.4
517D30.5Very low29.5Very low164 Ų164140.3 Ų140.388%0.87781%0.812SS**  trans63.7141.3-166.7-65.3-31.4000117.5
518G26.7Very low29.1Very low64 Ų64138 Ų13866%0.6681%0.812SS**  cis154.4138.5-10.200000114.8
519F29.5Very low29Very low210 Ų210135.5 Ų135.592%0.92181%0.808SS**  trans104139161-76.8-83.6000122.7
520E25.4Very low29.3Very low178 Ų178134.9 Ų134.983%0.83281%0.807SS**  trans-100.7159.3171.5-51.7169.9106.200110.2
521S28.8Very low29.1Very low120 Ų120136.8 Ų136.884%0.83980%0.803SS**  166.6141.8112.866.40000114.7
522V28.3Very low29.2Very low130 Ų130140.2 Ų140.279%0.78880%0.803SS**  trans-50.4142.2172.2174.10000115.3
523D28.3Very low29Very low149 Ų149140.1 Ų140.180%0.79780%0.799SS**  -165.2179.2119.7-131.5-33.8000115.8
524L27.5Very low28.8Very low152 Ų152139.1 Ų139.180%0.79680%0.802SS**  trans-99.1149.5-152.7-82.9152.9000119
525A29Very low28.9Very low96 Ų96138.4 Ų138.479%0.79381%0.809SS**  trans65.9118140.300000122.8
526A32Very low29.1Very low103 Ų103139.8 Ų139.885%0.85181%0.812SS**  trans-154.8141134.300000113.2
527Q28.9Very low29.8Very low203 Ų203140.4 Ų140.495%0.94981%0.811SS**  trans-38.3147.9-178.3-64156.8-31.200119.4
528G27.7Very low30.6Very low81 Ų81135.1 Ų135.184%0.83579%0.787SS**  trans172.689.116100000115.7
529N29.2Very low32Very low142 Ų142139.7 Ų139.776%0.75979%0.791SS**  trans-118.3136.2171.2-163.730.1000109.2
530P32.3Very low34.3Very low119 Ų119134.8 Ų134.877%0.77377%0.769SS**  -146.5175.4119.838.9-23.7000115.4
531N25.1Very low36.6Very low140 Ų140131.4 Ų131.475%0.74975%0.752SS**  trans-83.8-169.8-174-51.4-43.9000114.5
532Q31.7Very low38.7Very low165 Ų165130.9 Ų130.977%0.77174%0.739SS**  trans97.5112.4168-56-156.9-85.200114.5
533E25.5Very low40.9Very low171 Ų171127 Ų12780%0.79971%0.712SS**  87.1148.762.6-77.7179.5122.200113.2
534G30.2Very low42.9Very low66 Ų66125.4 Ų125.468%0.6871%0.708SS**  trans99.571.6163.300000117.7D536G534-D536 PolarHBondContact O-N 3.02Å
535T30Very low44.9Very low147 Ų147125 Ų12590%0.90270%0.702SS**  trans-79.469.2160.354.50000110.9K537T535-K537 PolarHBondContact O-N 2.9Å
536D36Very low47.2Very low156 Ų156121.4 Ų121.483%0.83467%0.669SS**  trans-68127.4-177-105.3-33.7000112.7G534 C538G534-D536 PolarHBondContact O-N 3.02Å; D536-C538 PolarHBondContact O-N 2.99Å
537K44.1Very low49.4Very low192 Ų192121.3 Ų121.384%0.83566%0.655SS**  trans-81.895.2173.2-73.4178.6179.7172.30108.8T535 Q539T535-K537 PolarHBondContact O-N 2.9Å; K537-Q539 PolarHBondContact O-N 3.47Å
538C47.2Very low51.8Low54 Ų54113.7 Ų113.737%0.36562%0.62SS.*  trans-40.2123.4-179.7177.80000113.2D536 E558D536-C538 PolarHBondContact O-N 2.99Å; C538-E558 HydrophobicContact CB-CG 4.14Å; C538-E558 WeakPolarHBondContact SG-CG 3.5Å; C538-E558 PolarHBondContact SG-OE1 3.31Å
539Q56.1Low54Low159 Ų159113.7 Ų113.774%0.74361%0.612SS**  trans-90.8139.1175.8-63.3-175.60.900111.4K537 K541 Q559K537-Q539 PolarHBondContact O-N 3.47Å; Q539-K541 PolarHBondContact O-N 3.45Å; Q539-Q559 PolarHBondContact O-NE2 3.13Å
540K76.1Confident56.3Low107 Ų107110.9 Ų110.947%0.46560%0.604SS.*  trans-69111.8173.6179.6-178.2179.3171.40109.6A562 R563 E585K540-A562 HydrophobicContact CB-CB 4.32Å; K540-R563 HydrophobicContact CD-CG 4.27Å; K540-R563 HydrophobicContact CG-CG 4.39Å; K540-E585 VanDerWaalsContact CE-CD 3.47Å; K540-E585 WeakPolarHBondContact CE-OE1 3.5Å; K540-E585 VanDerWaalsContact CE-OE2 3.29Å; K540-E585 WeakPolarHBondContact CE-OE2 3.43Å; K540-E585 IonicContact NZ-OE1 3.65Å; K540-E585 PolarHBondContact NZ-OE1 3.28Å; K540-E585 IonicContact NZ-OE2 3.47Å
541K75.3Confident58.6Low108 Ų108106 Ų10647%0.4757%0.57SS.*  trans-73.2143.8176.5-65.5-178.9179.7-178.40110.5Q539 L546 R563Q539-K541 PolarHBondContact O-N 3.45Å; K541-L546 HydrophobicContact CB-CD1 4.39Å; K541-L546 HydrophobicContact CB-CD2 3.87Å; K541-L546 HydrophobicContact CB-CG 4.08Å; K541-L546 HydrophobicContact CD-CD2 4.17Å; K541-R563 PolarHBondContact O-NH2 3.25Å
542L72.2Confident61.5Low109 Ų109106.1 Ų106.157%0.57157%0.565SS**  trans-70.6154.4-179.8-67.6176.4000111.3T544 E545L542-T544 PolarHBondContact O-N 3.21Å; L542-T544 VanDerWaalsContact O-N 3.16Å; L542-E545 PolarHBondContact O-N 3.45Å; L542-E545 VanDerWaalsContact O-N 3.16Å
543H74Confident64.2Low48 Ų48101 Ų10122%0.22254%0.544CS..G310 helixtrans-53.9-37.6-177.762.7-96.7000112.2E545 L546 I582 E586 E589H543-E545 VanDerWaalsContact C-N 3.27Å; H543-E545 PolarHBondContact O-N 3.28Å; H543-L546 PolarHBondContact O-N 2.73Å; H543-I582 HydrophobicContact CB-CG2 3.81Å; H543-E586 HydrophobicContact CB-CG 4.05Å; H543-E586 IonicContact CD2-OE1 2.85Å; H543-E586 PolarHBondContact CD2-OE1 3.19Å; H543-E586 IonicContact CG-OE1 3.39Å; H543-E589 IonicContact CE1-OE2 3.4Å; H543-E589 PolarHBondContact CE1-OE2 2.92Å; H543-E589 IonicContact ND1-OE2 3.83Å
544T70.8Confident67.2Low115 Ų11596.5 Ų96.571%0.70653%0.532SS*.G310 helixtrans-71.6-12.6-174.8-90000114.5L542L542-T544 PolarHBondContact O-N 3.21Å; L542-T544 VanDerWaalsContact O-N 3.16Å
545E69.5Low70Confident143 Ų14396.8 Ų96.867%0.66852%0.516SS*.G310 helixtrans-109.2-5.3-177.6-61.9-176.6144.700113.5L542 H543 N547L542-E545 PolarHBondContact O-N 3.45Å; L542-E545 VanDerWaalsContact O-N 3.16Å; H543-E545 VanDerWaalsContact C-N 3.27Å; H543-E545 PolarHBondContact O-N 3.28Å; E545-N547 PolarHBondContact O-N 2.75Å
546L77.1Confident72.9Confident21 Ų2189.8 Ų89.811%0.1147%0.473CS..  trans-92.390.2-170.9-75.4173.4000112.9K541 H543 L548 M551 Q559 I582K541-L546 HydrophobicContact CB-CD1 4.39Å; K541-L546 HydrophobicContact CB-CD2 3.87Å; K541-L546 HydrophobicContact CB-CG 4.08Å; K541-L546 HydrophobicContact CD-CD2 4.17Å; H543-L546 PolarHBondContact O-N 2.73Å; L546-L548 VanDerWaalsContact C-N 3.34Å; L546-L548 PolarHBondContact O-N 2.99Å; L546-M551 HydrophobicContact CD2-CE 4.27Å; L546-M551 HydrophobicContact CD2-SD 3.98Å; L546-Q559 HydrophobicContact CD2-CG 4.22Å; L546-I582 HydrophobicContact CB-CD1 4.31Å; L546-I582 HydrophobicContact CD1-CD1 3.75Å; L546-I582 HydrophobicContact CD1-CG1 4.3Å
547N78.7Confident75.6Confident101 Ų10188 Ų8854%0.5445%0.454SS..  trans-72.985.4169.8-170.1-19.3000111.5E545 A549 S550E545-N547 PolarHBondContact O-N 2.75Å; N547-A549 PolarHBondContact O-N 2.96Å; N547-A549 PolarHBondContact OD1-N 3Å; N547-S550 PolarHBondContact O-N 2.75Å; N547-S550 PolarHBondContact O-OG 2.68Å
548L78Confident77.9Confident44 Ų4483 Ų8323%0.2343%0.434CS..THydrogen-bonded Turntrans-56.4-21.7-176.8-66.4176000114.7L546 M551 L575 L578 K579 I582L546-L548 VanDerWaalsContact C-N 3.34Å; L546-L548 PolarHBondContact O-N 2.99Å; L548-M551 HydrophobicContact CD2-SD 4.39Å; L548-L575 HydrophobicContact CB-CD2 4.36Å; L548-L575 WeakPolarHBondContact O-CD2 3.3Å; L548-L578 HydrophobicContact CD2-CD2 3.75Å; L548-L578 HydrophobicContact CD2-CG 4.03Å; L548-K579 HydrophobicContact CD1-CB 4.08Å; L548-K579 HydrophobicContact CD1-CG 4.11Å; L548-I582 HydrophobicContact CD1-CD1 4.28Å; L548-I582 HydrophobicContact CD2-CD1 3.86Å; L548-I582 HydrophobicContact CG-CD1 4.4Å
549A74.2Confident79.8Confident80 Ų8080.7 Ų80.766%0.66142%0.418SS*.THydrogen-bonded Turntrans-73.3-39.8-18000000112.6N547 R571N547-A549 PolarHBondContact O-N 2.96Å; N547-A549 PolarHBondContact OD1-N 3Å; A549-R571 PolarHBondContact O-NH2 2.97Å; A549-R571 VanDerWaalsContact O-NH2 3.15Å
550S78.1Confident81.5Confident83 Ų8373.1 Ų73.158%0.5838%0.382SS*.THydrogen-bonded Turntrans-91.7-21.9-169.257.20000115.1N547N547-S550 PolarHBondContact O-N 2.75Å; N547-S550 PolarHBondContact O-OG 2.68Å
551M79.7Confident82.2Confident16 Ų1675.5 Ų75.58%0.07939%0.392CS..  trans-54.3140.9-176.5-68.1-179.471.700113.4L546 L548 E555 L556 Q559 R571 L578L546-M551 HydrophobicContact CD2-CE 4.27Å; L546-M551 HydrophobicContact CD2-SD 3.98Å; L548-M551 HydrophobicContact CD2-SD 4.39Å; M551-E555 VanDerWaalsContact CA-OE2 3.31Å; M551-E555 WeakPolarHBondContact CA-OE2 3.38Å; M551-E555 HydrophobicContact CB-CB 4.42Å; M551-E555 HydrophobicContact CE-CB 3.74Å; M551-E555 WeakPolarHBondContact CE-O 3.47Å; M551-L556 HydrophobicContact CB-CD2 3.97Å; M551-L556 HydrophobicContact CB-CG 4.08Å; M551-L556 HydrophobicContact CE-CD2 4.07Å; M551-L556 HydrophobicContact SD-CD2 3.95Å; M551-Q559 HydrophobicContact CE-CB 4.16Å; M551-Q559 HydrophobicContact CE-CG 3.73Å; M551-R571 PolarHBondContact O-NH1 2.99Å; M551-R571 PolarHBondContact O-NH2 2.73Å; M551-L578 HydrophobicContact CE-CD2 4.29Å; M551-L578 HydrophobicContact SD-CD2 4.19Å
552K87.1Confident82.9Confident144 Ų14471.8 Ų71.863%0.62638%0.382SS*.  trans-77.8162.2172.6-68175.6-178.4171.50111.6S554 E555 L556K552-S554 VanDerWaalsContact C-N 3.25Å; K552-S554 PolarHBondContact O-N 3.49Å; K552-E555 HydrophobicContact CB-CG 4.29Å; K552-E555 PolarHBondContact N-OE2 2.85Å; K552-E555 PolarHBondContact O-N 3.06Å; K552-L556 WeakPolarHBondContact O-CG 3.29Å; K552-L556 PolarHBondContact O-N 3.23Å
553V88.6Confident83.5Confident57 Ų5767.8 Ų67.835%0.34536%0.359SS..Hα-helixtrans-63.8-31.1-178.9178.70000112.3R557 R571 L574V553-R557 WeakPolarHBondContact O-CG 3.29Å; V553-R557 PolarHBondContact O-N 2.71Å; V553-R557 VanDerWaalsContact O-N 3.14Å; V553-R571 HydrophobicContact CG2-CB 3.99Å; V553-R571 HydrophobicContact CG2-CG 4.14Å; V553-L574 HydrophobicContact CG1-CD1 4.01Å
554S88.8Confident84.1Confident77 Ų7773 Ų7354%0.53839%0.389SS..Hα-helixtrans-59-56.1169.344.10000111.7K552 L556 R557 E558K552-S554 VanDerWaalsContact C-N 3.25Å; K552-S554 PolarHBondContact O-N 3.49Å; S554-L556 VanDerWaalsContact C-N 3.27Å; S554-L556 PolarHBondContact O-N 3.39Å; S554-R557 PolarHBondContact O-N 2.71Å; S554-R557 VanDerWaalsContact O-N 3.1Å; S554-E558 WeakPolarHBondContact O-CB 3.45Å; S554-E558 PolarHBondContact O-N 3.14Å
555E88.7Confident85Confident72 Ų7270.4 Ų70.434%0.33637%0.371SS..Hα-helixtrans-61.6-33.5-178.9-58.8173.1136.500112.3M551 K552 E558 Q559M551-E555 VanDerWaalsContact CA-OE2 3.31Å; M551-E555 WeakPolarHBondContact CA-OE2 3.38Å; M551-E555 HydrophobicContact CB-CB 4.42Å; M551-E555 HydrophobicContact CE-CB 3.74Å; M551-E555 WeakPolarHBondContact CE-O 3.47Å; K552-E555 HydrophobicContact CB-CG 4.29Å; K552-E555 PolarHBondContact N-OE2 2.85Å; K552-E555 PolarHBondContact O-N 3.06Å; E555-E558 PolarHBondContact O-N 2.82Å; E555-Q559 WeakPolarHBondContact O-CB 3.44Å; E555-Q559 PolarHBondContact O-N 2.78Å
556L89.6Confident85.9Confident0 Ų067.2 Ų67.20%036%0.362CS..Hα-helixtrans-66.8-44174-69.9171.9000112M551 K552 S554 E558 L560 R571 L574 L575 L578M551-L556 HydrophobicContact CB-CD2 3.97Å; M551-L556 HydrophobicContact CB-CG 4.08Å; M551-L556 HydrophobicContact CE-CD2 4.07Å; M551-L556 HydrophobicContact SD-CD2 3.95Å; K552-L556 WeakPolarHBondContact O-CG 3.29Å; K552-L556 PolarHBondContact O-N 3.23Å; S554-L556 VanDerWaalsContact C-N 3.27Å; S554-L556 PolarHBondContact O-N 3.39Å; L556-E558 VanDerWaalsContact C-N 3.31Å; L556-L560 WeakPolarHBondContact O-CB 3.44Å; L556-L560 WeakPolarHBondContact O-CD1 3.35Å; L556-L560 VanDerWaalsContact O-CG 3.26Å; L556-L560 WeakPolarHBondContact O-CG 3.38Å; L556-L560 PolarHBondContact O-N 2.67Å; L556-L560 VanDerWaalsContact O-N 3.08Å; L556-R571 HydrophobicContact CD1-CG 4.17Å; L556-L574 HydrophobicContact CB-CB 4.29Å; L556-L575 HydrophobicContact CD1-CD2 3.91Å; L556-L575 HydrophobicContact CD1-CG 3.8Å; L556-L575 HydrophobicContact CD2-CD2 3.57Å; L556-L575 HydrophobicContact CD2-CG 4.24Å; L556-L575 HydrophobicContact CG-CD2 4.4Å; L556-L578 HydrophobicContact CD2-CD2 3.65Å
557R92.6Very high86.4Confident117 Ų11768.6 Ų68.644%0.44237%0.371SS..Hα-helixtrans-64.6-39.3173.7-72.1-174.9170.7163.84111.4V553 S554 L560 K561 T567 L574V553-R557 WeakPolarHBondContact O-CG 3.29Å; V553-R557 PolarHBondContact O-N 2.71Å; V553-R557 VanDerWaalsContact O-N 3.14Å; S554-R557 PolarHBondContact O-N 2.71Å; S554-R557 VanDerWaalsContact O-N 3.1Å; R557-L560 PolarHBondContact O-N 3.39Å; R557-K561 WeakPolarHBondContact O-CB 3.44Å; R557-K561 PolarHBondContact O-N 2.86Å; R557-T567 HydrophobicContact CB-CG2 4.18Å; R557-T567 WeakPolarHBondContact CD-O 3.34Å; R557-T567 WeakPolarHBondContact CG-O 3.4Å; R557-T567 PolarHBondContact NE-O 2.65Å; R557-T567 VanDerWaalsContact O-CG2 3.23Å; R557-T567 WeakPolarHBondContact O-CG2 3.49Å; R557-L574 HydrophobicContact CG-CD1 3.92Å
558E92.5Very high86.8Confident89 Ų8971.1 Ų71.142%0.41638%0.38SS..Hα-helixtrans-62.8-50177.3179.5-178.6-17700112C538 S554 E555 L556 L560 K561 A562C538-E558 HydrophobicContact CB-CG 4.14Å; C538-E558 WeakPolarHBondContact SG-CG 3.5Å; C538-E558 PolarHBondContact SG-OE1 3.31Å; S554-E558 WeakPolarHBondContact O-CB 3.45Å; S554-E558 PolarHBondContact O-N 3.14Å; E555-E558 PolarHBondContact O-N 2.82Å; L556-E558 VanDerWaalsContact C-N 3.31Å; E558-L560 VanDerWaalsContact C-N 3.3Å; E558-L560 PolarHBondContact O-N 3.04Å; E558-K561 WeakPolarHBondContact O-CB 3.47Å; E558-K561 PolarHBondContact O-N 2.67Å; E558-K561 VanDerWaalsContact O-N 3.14Å; E558-A562 WeakPolarHBondContact O-CB 3.49Å; E558-A562 PolarHBondContact O-N 3.45Å
559Q88.7Confident87.3Confident4 Ų470.5 Ų70.52%0.01938%0.384CS..Hα-helixtrans-70.9-21.4178.2-72.1-60.7-55.800114.1Q539 L546 M551 E555 R563 L578Q539-Q559 PolarHBondContact O-NE2 3.13Å; L546-Q559 HydrophobicContact CD2-CG 4.22Å; M551-Q559 HydrophobicContact CE-CB 4.16Å; M551-Q559 HydrophobicContact CE-CG 3.73Å; E555-Q559 WeakPolarHBondContact O-CB 3.44Å; E555-Q559 PolarHBondContact O-N 2.78Å; Q559-R563 WeakPolarHBondContact O-CG 3.24Å; Q559-R563 PolarHBondContact O-NH1 3.48Å; Q559-L578 HydrophobicContact CB-CD1 4.13Å; Q559-L578 HydrophobicContact CB-CD2 4.14Å
560L91.4Very high88Confident0 Ų071.6 Ų71.60%038%0.382CS..Hα-helixtrans-74.5-42.8166.4-73.7167.2000111.4L556 R557 E558 A562 R563 N564 L565 T567 L574 R577 L578L556-L560 WeakPolarHBondContact O-CB 3.44Å; L556-L560 WeakPolarHBondContact O-CD1 3.35Å; L556-L560 VanDerWaalsContact O-CG 3.26Å; L556-L560 WeakPolarHBondContact O-CG 3.38Å; L556-L560 PolarHBondContact O-N 2.67Å; L556-L560 VanDerWaalsContact O-N 3.08Å; R557-L560 PolarHBondContact O-N 3.39Å; E558-L560 VanDerWaalsContact C-N 3.3Å; E558-L560 PolarHBondContact O-N 3.04Å; L560-A562 PolarHBondContact O-N 3.04Å; L560-R563 CarbonylContact O-C 3.57Å; L560-R563 WeakPolarHBondContact O-CA 3.37Å; L560-R563 PolarHBondContact O-N 3.34Å; L560-N564 PolarHBondContact O-N 3.35Å; L560-N564 VanDerWaalsContact O-N 3.12Å; L560-L565 HydrophobicContact CB-CB 4.2Å; L560-L565 HydrophobicContact CD2-CB 3.71Å; L560-L565 HydrophobicContact CD2-CD1 3.86Å; L560-L565 HydrophobicContact CD2-CG 4.46Å; L560-L565 PolarHBondContact O-N 2.86Å; L560-T567 HydrophobicContact CB-CG2 4.29Å; L560-L574 HydrophobicContact CD1-CB 3.98Å; L560-L574 HydrophobicContact CD1-CD2 3.62Å; L560-L574 HydrophobicContact CD1-CG 4.38Å; L560-R577 HydrophobicContact CD2-CB 4.11Å; L560-L578 HydrophobicContact CD2-CB 4.07Å; L560-L578 HydrophobicContact CD2-CD1 4.34Å; L560-L578 HydrophobicContact CG-CB 4.38Å
561K91.4Very high88.5Confident157 Ų15771.8 Ų71.868%0.68337%0.37SS*.Hα-helixtrans-62-41.8175.7-169.4177.4-179.1-178.30111.6R557 E558 R563 N564 T567R557-K561 WeakPolarHBondContact O-CB 3.44Å; R557-K561 PolarHBondContact O-N 2.86Å; E558-K561 WeakPolarHBondContact O-CB 3.47Å; E558-K561 PolarHBondContact O-N 2.67Å; E558-K561 VanDerWaalsContact O-N 3.14Å; K561-R563 PolarHBondContact O-N 3.11Å; K561-R563 VanDerWaalsContact O-N 3.11Å; K561-N564 PolarHBondContact O-N 3.24Å; K561-T567 HydrophobicContact CB-CG2 4.06Å
562A88.9Confident89Confident30 Ų3074 Ų7425%0.24839%0.392CS..THydrogen-bonded Turntrans-66.1-6.3172.600000114.3K540 E558 L560K540-A562 HydrophobicContact CB-CB 4.32Å; E558-A562 WeakPolarHBondContact O-CB 3.49Å; E558-A562 PolarHBondContact O-N 3.45Å; L560-A562 PolarHBondContact O-N 3.04Å
563R85.8Confident89.1Confident25 Ų2571.9 Ų71.99%0.09438%0.384CS..THydrogen-bonded Turntrans-115.78.1173.8-72176.4167.678.13.2112.9K540 K541 Q559 L560 K561 L565 E585K540-R563 HydrophobicContact CD-CG 4.27Å; K540-R563 HydrophobicContact CG-CG 4.39Å; K541-R563 PolarHBondContact O-NH2 3.25Å; Q559-R563 WeakPolarHBondContact O-CG 3.24Å; Q559-R563 PolarHBondContact O-NH1 3.48Å; L560-R563 CarbonylContact O-C 3.57Å; L560-R563 WeakPolarHBondContact O-CA 3.37Å; L560-R563 PolarHBondContact O-N 3.34Å; K561-R563 PolarHBondContact O-N 3.11Å; K561-R563 VanDerWaalsContact O-N 3.11Å; R563-L565 VanDerWaalsContact C-N 3.26Å; R563-L565 HydrophobicContact CB-CD1 4.01Å; R563-L565 HydrophobicContact CB-CG 4.26Å; R563-L565 PolarHBondContact O-N 3.09Å; R563-E585 WeakPolarHBondContact CD-OE1 3.42Å; R563-E585 IonicContact CZ-OE1 3.56Å; R563-E585 IonicContact CZ-OE2 3.56Å; R563-E585 VanDerWaalsContact NE-CD 3.33Å; R563-E585 IonicContact NE-OE1 2.85Å; R563-E585 PolarHBondContact NE-OE1 3.05Å; R563-E585 IonicContact NE-OE2 2.73Å; R563-E585 PolarHBondContact NE-OE2 2.93Å; R563-E585 VanDerWaalsContact NE-OE2 3.09Å; R563-E585 IonicContact NH2-OE1 2.71Å; R563-E585 IonicContact NH2-OE2 2.71Å; R563-E585 PolarHBondContact NH2-OE2 2.98Å
564N86.9Confident89.3Confident159 Ų15969.1 Ų69.185%0.8537%0.367SS*.THydrogen-bonded Turntrans56.633.1-174.9-58.7-35.6000114.3L560 K561L560-N564 PolarHBondContact O-N 3.35Å; L560-N564 VanDerWaalsContact O-N 3.12Å; K561-N564 PolarHBondContact O-N 3.24Å
565L88.9Confident89.4Confident60 Ų6067.4 Ų67.431%0.31435%0.352SS..  trans-105.6151.4-179.4-70170.8000112.4L560 R563 T567 A581L560-L565 HydrophobicContact CB-CB 4.2Å; L560-L565 HydrophobicContact CD2-CB 3.71Å; L560-L565 HydrophobicContact CD2-CD1 3.86Å; L560-L565 HydrophobicContact CD2-CG 4.46Å; L560-L565 PolarHBondContact O-N 2.86Å; R563-L565 VanDerWaalsContact C-N 3.26Å; R563-L565 HydrophobicContact CB-CD1 4.01Å; R563-L565 HydrophobicContact CB-CG 4.26Å; R563-L565 PolarHBondContact O-N 3.09Å; L565-T567 PolarHBondContact O-N 3.11Å; L565-A581 HydrophobicContact CD1-CB 3.47Å; L565-A581 VanDerWaalsContact CD1-CB 3.47Å
566P87.8Confident89.5Confident76 Ų7668.3 Ų68.349%0.49436%0.362SS..  trans-65.2123.4-174.224.7-34.5000112.9E568 R577P566-E568 VanDerWaalsContact C-N 3.33Å; P566-E568 PolarHBondContact O-N 3.36Å; P566-R577 PolarHBondContact O-NH1 3.16Å
567T89.2Confident89.7Confident49 Ų4972.3 Ų72.330%0.30138%0.377SS..  trans-85.41.8-174.253.60000114.8R557 L560 K561 L565 L574R557-T567 HydrophobicContact CB-CG2 4.18Å; R557-T567 WeakPolarHBondContact CD-O 3.34Å; R557-T567 WeakPolarHBondContact CG-O 3.4Å; R557-T567 PolarHBondContact NE-O 2.65Å; R557-T567 VanDerWaalsContact O-CG2 3.23Å; R557-T567 WeakPolarHBondContact O-CG2 3.49Å; L560-T567 HydrophobicContact CB-CG2 4.29Å; K561-T567 HydrophobicContact CB-CG2 4.06Å; L565-T567 PolarHBondContact O-N 3.11Å; T567-L574 WeakPolarHBondContact O-CD2 3.39Å
568E87.1Confident89.6Confident154 Ų15466.7 Ų66.772%0.7236%0.356SS*.  trans-90148.7-175.5-64-172.417300113.1P566 R577P566-E568 VanDerWaalsContact C-N 3.33Å; P566-E568 PolarHBondContact O-N 3.36Å; E568-R577 PolarHBondContact O-NH1 3.19Å
569G87Confident89.6Confident31 Ų3168.7 Ų68.732%0.3236%0.363SS..SBendtrans116.4180179.100000114.8
570V89.1Confident89.7Confident103 Ų10372.4 Ų72.462%0.62439%0.386SS*.  trans-80.2154.3-177.4-174.70000110.3A572 Q573 L574V570-A572 PolarHBondContact O-N 3.49Å; V570-Q573 WeakPolarHBondContact O-CB 3.38Å; V570-Q573 PolarHBondContact O-N 3.33Å; V570-L574 PolarHBondContact O-N 3.05Å; V570-L574 VanDerWaalsContact O-N 3.13Å
571R89.8Confident89.7Confident88 Ų8872.8 Ų72.833%0.33239%0.39SS..Hα-helixtrans-39.6-46.7179.1-178.3-176.4178.175.91.9113.8A549 M551 V553 L556 L574 L575A549-R571 PolarHBondContact O-NH2 2.97Å; A549-R571 VanDerWaalsContact O-NH2 3.15Å; M551-R571 PolarHBondContact O-NH1 2.99Å; M551-R571 PolarHBondContact O-NH2 2.73Å; V553-R571 HydrophobicContact CG2-CB 3.99Å; V553-R571 HydrophobicContact CG2-CG 4.14Å; L556-R571 HydrophobicContact CD1-CG 4.17Å; R571-L574 PolarHBondContact O-N 2.84Å; R571-L575 HydrophobicContact CG-CD1 3.97Å; R571-L575 WeakPolarHBondContact O-CB 3.34Å; R571-L575 WeakPolarHBondContact O-CG 3.46Å; R571-L575 PolarHBondContact O-N 3.04Å
572A89Confident89.6Confident63 Ų6366 Ų6652%0.52136%0.36SS..Hα-helixtrans-62.3-44.4179.900000112.9V570 L575 T576V570-A572 PolarHBondContact O-N 3.49Å; A572-L575 PolarHBondContact O-N 2.9Å; A572-T576 PolarHBondContact O-N 3.18Å; A572-T576 PolarHBondContact O-OG1 3.48Å; A572-T576 VanDerWaalsContact O-OG1 3.11Å
573Q90Very high89.6Confident98 Ų9869.2 Ų69.246%0.45837%0.371SS..Hα-helixtrans-64.7-41.1177.9-64.9169.6-28.100111.4V570 T576 R577V570-Q573 WeakPolarHBondContact O-CB 3.38Å; V570-Q573 PolarHBondContact O-N 3.33Å; Q573-T576 PolarHBondContact O-N 3.08Å; Q573-R577 WeakPolarHBondContact O-CG 3.38Å; Q573-R577 PolarHBondContact O-N 3.21Å
574L91.6Very high89.8Confident0 Ų072.9 Ų72.90%039%0.389CS..Hα-helixtrans-64.7-41.8176.7-59174.3000111.5V553 L556 R557 L560 T567 V570 R571 R577 L578V553-L574 HydrophobicContact CG1-CD1 4.01Å; L556-L574 HydrophobicContact CB-CB 4.29Å; R557-L574 HydrophobicContact CG-CD1 3.92Å; L560-L574 HydrophobicContact CD1-CB 3.98Å; L560-L574 HydrophobicContact CD1-CD2 3.62Å; L560-L574 HydrophobicContact CD1-CG 4.38Å; T567-L574 WeakPolarHBondContact O-CD2 3.39Å; V570-L574 PolarHBondContact O-N 3.05Å; V570-L574 VanDerWaalsContact O-N 3.13Å; R571-L574 PolarHBondContact O-N 2.84Å; L574-R577 PolarHBondContact O-N 2.98Å; L574-L578 WeakPolarHBondContact O-CB 3.45Å; L574-L578 PolarHBondContact O-N 2.76Å
575L91.1Very high89.8Confident41 Ų4167.5 Ų67.522%0.21536%0.359CS..Hα-helixtrans-62.2-45.2174.1-79169000112.4L548 L556 R571 A572 L578 K579L548-L575 HydrophobicContact CB-CD2 4.36Å; L548-L575 WeakPolarHBondContact O-CD2 3.3Å; L556-L575 HydrophobicContact CD1-CD2 3.91Å; L556-L575 HydrophobicContact CD1-CG 3.8Å; L556-L575 HydrophobicContact CD2-CD2 3.57Å; L556-L575 HydrophobicContact CD2-CG 4.24Å; L556-L575 HydrophobicContact CG-CD2 4.4Å; R571-L575 HydrophobicContact CG-CD1 3.97Å; R571-L575 WeakPolarHBondContact O-CB 3.34Å; R571-L575 WeakPolarHBondContact O-CG 3.46Å; R571-L575 PolarHBondContact O-N 3.04Å; A572-L575 PolarHBondContact O-N 2.9Å; L575-L578 PolarHBondContact O-N 3.33Å; L575-K579 VanDerWaalsContact O-CB 3.31Å; L575-K579 WeakPolarHBondContact O-CB 3.36Å; L575-K579 PolarHBondContact O-N 3.2Å
576T91.3Very high89.7Confident91 Ų9168.7 Ų68.756%0.55836%0.363SS*.Hα-helixtrans-60.7-47.7177.4-59.10000111.3A572 Q573 L578 K579 T580A572-T576 PolarHBondContact O-N 3.18Å; A572-T576 PolarHBondContact O-OG1 3.48Å; A572-T576 VanDerWaalsContact O-OG1 3.11Å; Q573-T576 PolarHBondContact O-N 3.08Å; T576-L578 PolarHBondContact O-N 3.47Å; T576-K579 PolarHBondContact O-N 2.92Å; T576-T580 PolarHBondContact O-N 3.05Å; T576-T580 PolarHBondContact O-OG1 2.87Å
577R93.6Very high89.6Confident83 Ų8370.2 Ų70.231%0.31336%0.363SS..Hα-helixtrans-65-38.6179.1-67.5-172.2-155.31191.8113.1L560 P566 E568 Q573 L574 T580 A581L560-R577 HydrophobicContact CD2-CB 4.11Å; P566-R577 PolarHBondContact O-NH1 3.16Å; E568-R577 PolarHBondContact O-NH1 3.19Å; Q573-R577 WeakPolarHBondContact O-CG 3.38Å; Q573-R577 PolarHBondContact O-N 3.21Å; L574-R577 PolarHBondContact O-N 2.98Å; R577-T580 WeakPolarHBondContact CA-OG1 3.25Å; R577-T580 PolarHBondContact O-OG1 3Å; R577-A581 WeakPolarHBondContact O-CB 3.12Å; R577-A581 PolarHBondContact O-N 3.46Å; R577-A581 VanDerWaalsContact O-N 3.13Å
578L90.7Very high89.4Confident0 Ų073.5 Ų73.50%037%0.373CS..Hα-helixtrans-68.8-38.9176.6-175.160.3000110.9L548 M551 L556 Q559 L560 L574 L575 T576 A581 I582L548-L578 HydrophobicContact CD2-CD2 3.75Å; L548-L578 HydrophobicContact CD2-CG 4.03Å; M551-L578 HydrophobicContact CE-CD2 4.29Å; M551-L578 HydrophobicContact SD-CD2 4.19Å; L556-L578 HydrophobicContact CD2-CD2 3.65Å; Q559-L578 HydrophobicContact CB-CD1 4.13Å; Q559-L578 HydrophobicContact CB-CD2 4.14Å; L560-L578 HydrophobicContact CD2-CB 4.07Å; L560-L578 HydrophobicContact CD2-CD1 4.34Å; L560-L578 HydrophobicContact CG-CB 4.38Å; L574-L578 WeakPolarHBondContact O-CB 3.45Å; L574-L578 PolarHBondContact O-N 2.76Å; L575-L578 PolarHBondContact O-N 3.33Å; T576-L578 PolarHBondContact O-N 3.47Å; L578-A581 PolarHBondContact O-N 2.92Å; L578-I582 HydrophobicContact CD1-CD1 4.3Å; L578-I582 HydrophobicContact CG-CD1 3.99Å; L578-I582 VanDerWaalsContact O-CG1 3.31Å; L578-I582 WeakPolarHBondContact O-CG1 3.39Å; L578-I582 PolarHBondContact O-N 2.94Å
579K91.6Very high89.2Confident131 Ų13169.7 Ų69.757%0.5736%0.355SS*.Hα-helixtrans-64.2-44176.2-171.5179.7178.2-175.30112.3L548 L575 T576 A581 I582 Q583L548-K579 HydrophobicContact CD1-CB 4.08Å; L548-K579 HydrophobicContact CD1-CG 4.11Å; L575-K579 VanDerWaalsContact O-CB 3.31Å; L575-K579 WeakPolarHBondContact O-CB 3.36Å; L575-K579 PolarHBondContact O-N 3.2Å; T576-K579 PolarHBondContact O-N 2.92Å; K579-A581 VanDerWaalsContact C-N 3.33Å; K579-A581 PolarHBondContact O-N 3.47Å; K579-I582 PolarHBondContact O-N 2.93Å; K579-Q583 PolarHBondContact O-N 3.09Å
580T92.5Very high88.8Confident81 Ų8171.5 Ų71.550%0.49736%0.363SS..Hα-helixtrans-63.4-39.4176.149.20000111.8T576 R577 Q583 E584T576-T580 PolarHBondContact O-N 3.05Å; T576-T580 PolarHBondContact O-OG1 2.87Å; R577-T580 WeakPolarHBondContact CA-OG1 3.25Å; R577-T580 PolarHBondContact O-OG1 3Å; T580-Q583 PolarHBondContact O-N 3.34Å; T580-E584 WeakPolarHBondContact O-CB 3.49Å; T580-E584 PolarHBondContact O-N 3.32Å
581A90.5Very high88.6Confident9 Ų969.4 Ų69.47%0.07436%0.357CS..Hα-helixtrans-66.9-35.8177.400000113.2L565 R577 L578 K579 E585L565-A581 HydrophobicContact CD1-CB 3.47Å; L565-A581 VanDerWaalsContact CD1-CB 3.47Å; R577-A581 WeakPolarHBondContact O-CB 3.12Å; R577-A581 PolarHBondContact O-N 3.46Å; R577-A581 VanDerWaalsContact O-N 3.13Å; L578-A581 PolarHBondContact O-N 2.92Å; K579-A581 VanDerWaalsContact C-N 3.33Å; K579-A581 PolarHBondContact O-N 3.47Å; A581-E585 WeakPolarHBondContact O-CB 3.48Å; A581-E585 VanDerWaalsContact O-CG 3.27Å; A581-E585 WeakPolarHBondContact O-CG 3.1Å; A581-E585 PolarHBondContact O-N 3Å
582I89.3Confident88.1Confident13 Ų1372.2 Ų72.27%0.06737%0.371CS..Hα-helixtrans-68.2-43.5174.7-70.4164000110.8H543 L546 L548 L578 K579 E584 E585 E586H543-I582 HydrophobicContact CB-CG2 3.81Å; L546-I582 HydrophobicContact CB-CD1 4.31Å; L546-I582 HydrophobicContact CD1-CD1 3.75Å; L546-I582 HydrophobicContact CD1-CG1 4.3Å; L548-I582 HydrophobicContact CD1-CD1 4.28Å; L548-I582 HydrophobicContact CD2-CD1 3.86Å; L548-I582 HydrophobicContact CG-CD1 4.4Å; L578-I582 HydrophobicContact CD1-CD1 4.3Å; L578-I582 HydrophobicContact CG-CD1 3.99Å; L578-I582 VanDerWaalsContact O-CG1 3.31Å; L578-I582 WeakPolarHBondContact O-CG1 3.39Å; L578-I582 PolarHBondContact O-N 2.94Å; K579-I582 PolarHBondContact O-N 2.93Å; I582-E584 VanDerWaalsContact C-N 3.34Å; I582-E584 PolarHBondContact O-N 3.07Å; I582-E585 WeakPolarHBondContact O-CB 3.36Å; I582-E585 PolarHBondContact O-N 3.2Å; I582-E585 VanDerWaalsContact O-N 3.13Å; I582-E586 WeakPolarHBondContact O-CG 3.49Å; I582-E586 PolarHBondContact O-N 2.87Å
583Q88.9Confident87.6Confident99 Ų9975.1 Ų75.146%0.46337%0.372SS..Hα-helixtrans-61.7-42.3176.8-171.8-177.4-32.800111.5K579 T580 E585 E586 E587K579-Q583 PolarHBondContact O-N 3.09Å; T580-Q583 PolarHBondContact O-N 3.34Å; Q583-E585 VanDerWaalsContact C-N 3.29Å; Q583-E585 PolarHBondContact O-N 3.01Å; Q583-E586 PolarHBondContact O-N 2.9Å; Q583-E587 WeakPolarHBondContact CG-OE1 3.42Å; Q583-E587 PolarHBondContact NE2-OE1 2.88Å; Q583-E587 WeakPolarHBondContact O-CB 3.21Å; Q583-E587 WeakPolarHBondContact O-CG 3.36Å; Q583-E587 PolarHBondContact O-N 3.04Å
584E90Very high87.1Confident102 Ų10272.8 Ų72.848%0.47737%0.37SS..Hα-helixtrans-65.1-31175.2-163.3-171.1161.400112.6T580 I582 K588T580-E584 WeakPolarHBondContact O-CB 3.49Å; T580-E584 PolarHBondContact O-N 3.32Å; I582-E584 VanDerWaalsContact C-N 3.34Å; I582-E584 PolarHBondContact O-N 3.07Å; E584-K588 HydrophobicContact CG-CD 4.33Å; E584-K588 WeakPolarHBondContact O-CB 3.44Å; E584-K588 WeakPolarHBondContact O-CD 3.27Å; E584-K588 VanDerWaalsContact O-CG 3.22Å; E584-K588 WeakPolarHBondContact O-CG 3.36Å; E584-K588 PolarHBondContact O-N 3.48Å; E584-K588 VanDerWaalsContact O-N 3.16Å; E584-K588 WeakPolarHBondContact OE1-CE 3.47Å; E584-K588 IonicContact OE1-NZ 3.42Å; E584-K588 PolarHBondContact OE1-NZ 3.18Å
585E87.1Confident86.3Confident46 Ų4678.6 Ų78.622%0.21540%0.397CS..Hα-helixtrans-68.3-43.1171.6-77.6167.6-168.700112K540 R563 A581 I582 Q583 K588 E589K540-E585 VanDerWaalsContact CE-CD 3.47Å; K540-E585 WeakPolarHBondContact CE-OE1 3.5Å; K540-E585 VanDerWaalsContact CE-OE2 3.29Å; K540-E585 WeakPolarHBondContact CE-OE2 3.43Å; K540-E585 IonicContact NZ-OE1 3.65Å; K540-E585 PolarHBondContact NZ-OE1 3.28Å; K540-E585 IonicContact NZ-OE2 3.47Å; R563-E585 WeakPolarHBondContact CD-OE1 3.42Å; R563-E585 IonicContact CZ-OE1 3.56Å; R563-E585 IonicContact CZ-OE2 3.56Å; R563-E585 VanDerWaalsContact NE-CD 3.33Å; R563-E585 IonicContact NE-OE1 2.85Å; R563-E585 PolarHBondContact NE-OE1 3.05Å; R563-E585 IonicContact NE-OE2 2.73Å; R563-E585 PolarHBondContact NE-OE2 2.93Å; R563-E585 VanDerWaalsContact NE-OE2 3.09Å; R563-E585 IonicContact NH2-OE1 2.71Å; R563-E585 IonicContact NH2-OE2 2.71Å; R563-E585 PolarHBondContact NH2-OE2 2.98Å; A581-E585 WeakPolarHBondContact O-CB 3.48Å; A581-E585 VanDerWaalsContact O-CG 3.27Å; A581-E585 WeakPolarHBondContact O-CG 3.1Å; A581-E585 PolarHBondContact O-N 3Å; I582-E585 WeakPolarHBondContact O-CB 3.36Å; I582-E585 PolarHBondContact O-N 3.2Å; I582-E585 VanDerWaalsContact O-N 3.13Å; Q583-E585 VanDerWaalsContact C-N 3.29Å; Q583-E585 PolarHBondContact O-N 3.01Å; E585-K588 PolarHBondContact O-N 2.93Å; E585-E589 WeakPolarHBondContact O-CB 3.47Å; E585-E589 PolarHBondContact O-N 2.88Å
586E85.9Confident85.6Confident85 Ų8583 Ų8340%0.39741%0.414SS..Hα-helixtrans-67.7-41177.7-70.9174.7177.100112.6H543 I582 Q583 E589 S590H543-E586 HydrophobicContact CB-CG 4.05Å; H543-E586 IonicContact CD2-OE1 2.85Å; H543-E586 PolarHBondContact CD2-OE1 3.19Å; H543-E586 IonicContact CG-OE1 3.39Å; I582-E586 WeakPolarHBondContact O-CG 3.49Å; I582-E586 PolarHBondContact O-N 2.87Å; Q583-E586 PolarHBondContact O-N 2.9Å; E586-E589 PolarHBondContact O-N 3.17Å; E586-S590 WeakPolarHBondContact O-CB 3.21Å; E586-S590 PolarHBondContact O-N 3.03Å; E586-S590 PolarHBondContact O-OG 3.47Å
587E87.1Confident84.8Confident108 Ų10884.7 Ų84.751%0.50542%0.416SS..Hα-helixtrans-62.9-40.5174.1-73.2174.1-163.400111.2Q583 S590 A591Q583-E587 WeakPolarHBondContact CG-OE1 3.42Å; Q583-E587 PolarHBondContact NE2-OE1 2.88Å; Q583-E587 WeakPolarHBondContact O-CB 3.21Å; Q583-E587 WeakPolarHBondContact O-CG 3.36Å; Q583-E587 PolarHBondContact O-N 3.04Å; E587-S590 WeakPolarHBondContact CA-OG 3.32Å; E587-S590 PolarHBondContact O-OG 3.07Å; E587-A591 WeakPolarHBondContact O-CB 3.46Å; E587-A591 PolarHBondContact O-N 3.45Å; E587-A591 VanDerWaalsContact O-N 3.14Å
588K85.2Confident83.8Confident118 Ų11888 Ų8851%0.51343%0.432SS..Hα-helixtrans-72.1-31.2175.7-73.8169.9-180174.10113.6E584 E585 K592E584-K588 HydrophobicContact CG-CD 4.33Å; E584-K588 WeakPolarHBondContact O-CB 3.44Å; E584-K588 WeakPolarHBondContact O-CD 3.27Å; E584-K588 VanDerWaalsContact O-CG 3.22Å; E584-K588 WeakPolarHBondContact O-CG 3.36Å; E584-K588 PolarHBondContact O-N 3.48Å; E584-K588 VanDerWaalsContact O-N 3.16Å; E584-K588 WeakPolarHBondContact OE1-CE 3.47Å; E584-K588 IonicContact OE1-NZ 3.42Å; E584-K588 PolarHBondContact OE1-NZ 3.18Å; E585-K588 PolarHBondContact O-N 2.93Å; K588-K592 WeakPolarHBondContact O-CG 3.17Å; K588-K592 PolarHBondContact O-N 3.19Å
589E81.2Confident82.8Confident73 Ų7392.7 Ų92.734%0.34146%0.455SS..Hα-helixtrans-75.6-39.9177-159.1-171125.400112H543 E585 E586 K592 K593H543-E589 IonicContact CE1-OE2 3.4Å; H543-E589 PolarHBondContact CE1-OE2 2.92Å; H543-E589 IonicContact ND1-OE2 3.83Å; E585-E589 WeakPolarHBondContact O-CB 3.47Å; E585-E589 PolarHBondContact O-N 2.88Å; E586-E589 PolarHBondContact O-N 3.17Å; E589-K592 PolarHBondContact O-N 3.35Å; E589-K593 PolarHBondContact O-N 3.15Å; E589-K593 VanDerWaalsContact O-N 3.08Å; E589-K593 VanDerWaalsContact OE1-CE 3.3Å; E589-K593 WeakPolarHBondContact OE1-CE 3.37Å; E589-K593 IonicContact OE1-NZ 3.34Å; E589-K593 PolarHBondContact OE1-NZ 2.67Å
590S79.2Confident81.6Confident70 Ų7091.7 Ų91.749%0.4945%0.453SS..Hα-helixtrans-65.9-41.1176.154.20000112.5E586 E587 K592 K593 A594E586-S590 WeakPolarHBondContact O-CB 3.21Å; E586-S590 PolarHBondContact O-N 3.03Å; E586-S590 PolarHBondContact O-OG 3.47Å; E587-S590 WeakPolarHBondContact CA-OG 3.32Å; E587-S590 PolarHBondContact O-OG 3.07Å; S590-K592 PolarHBondContact O-N 2.87Å; S590-K593 PolarHBondContact O-N 2.91Å; S590-A594 PolarHBondContact O-N 3.45Å; S590-A594 VanDerWaalsContact O-N 3.07Å
591A85.1Confident80Confident59 Ų5994 Ų9449%0.48846%0.458SS..Hα-helixtrans-56.4-46.2172.200000112.4E587 K593 A594 E595E587-A591 WeakPolarHBondContact O-CB 3.46Å; E587-A591 PolarHBondContact O-N 3.45Å; E587-A591 VanDerWaalsContact O-N 3.14Å; A591-K593 VanDerWaalsContact C-N 3.35Å; A591-K593 PolarHBondContact O-N 3.29Å; A591-A594 PolarHBondContact O-N 3.32Å; A591-E595 PolarHBondContact O-N 3.32Å
592K79.4Confident78.5Confident147 Ų147100.7 Ų100.764%0.63949%0.488SS*.Hα-helixtrans-66.5-31.5178.6-74.3178.5178.7-176.40113.6K588 E589 S590 K596K588-K592 WeakPolarHBondContact O-CG 3.17Å; K588-K592 PolarHBondContact O-N 3.19Å; E589-K592 PolarHBondContact O-N 3.35Å; S590-K592 PolarHBondContact O-N 2.87Å; K592-K596 WeakPolarHBondContact O-CB 3.34Å; K592-K596 PolarHBondContact O-N 3.47Å; K592-K596 VanDerWaalsContact O-N 3.12Å
593K78.6Confident76.7Confident123 Ų123107 Ų10754%0.53552%0.515SS..Hα-helixtrans-67-47.7173-76.5166.2172.7166.20111E589 S590 A591 E595 K596 E597E589-K593 PolarHBondContact O-N 3.15Å; E589-K593 VanDerWaalsContact O-N 3.08Å; E589-K593 VanDerWaalsContact OE1-CE 3.3Å; E589-K593 WeakPolarHBondContact OE1-CE 3.37Å; E589-K593 IonicContact OE1-NZ 3.34Å; E589-K593 PolarHBondContact OE1-NZ 2.67Å; S590-K593 PolarHBondContact O-N 2.91Å; A591-K593 VanDerWaalsContact C-N 3.35Å; A591-K593 PolarHBondContact O-N 3.29Å; K593-E595 VanDerWaalsContact C-N 3.33Å; K593-E595 PolarHBondContact O-N 3.44Å; K593-K596 PolarHBondContact O-N 2.96Å; K593-E597 PolarHBondContact O-N 3.4Å
594A78.9Confident74.6Confident49 Ų49106.9 Ų106.941%0.40552%0.521SS..Hα-helixtrans-64.1-33.6178.100000113.5S590 A591 K598S590-A594 PolarHBondContact O-N 3.45Å; S590-A594 VanDerWaalsContact O-N 3.07Å; A591-A594 PolarHBondContact O-N 3.32Å; A594-K598 WeakPolarHBondContact O-CG 3.21Å; A594-K598 PolarHBondContact O-N 3.28Å
595E76Confident72.4Confident123 Ų123109 Ų10958%0.57554%0.535SS*.Hα-helixtrans-68.5-41.8173-173.5175-154.700112A591 K593 K598 M599A591-E595 PolarHBondContact O-N 3.32Å; K593-E595 VanDerWaalsContact C-N 3.33Å; K593-E595 PolarHBondContact O-N 3.44Å; E595-K598 PolarHBondContact O-N 3.06Å; E595-M599 PolarHBondContact O-N 2.92Å
596K75.2Confident70.1Confident132 Ų132115.4 Ų115.457%0.57457%0.565SS**Hα-helixtrans-65.8-41.5179.2-167.8-177.9176.7-166.70112.6K592 K593 K598 M599 E600K592-K596 WeakPolarHBondContact O-CB 3.34Å; K592-K596 PolarHBondContact O-N 3.47Å; K592-K596 VanDerWaalsContact O-N 3.12Å; K593-K596 PolarHBondContact O-N 2.96Å; K596-K598 VanDerWaalsContact C-N 3.34Å; K596-K598 PolarHBondContact O-N 3.43Å; K596-M599 PolarHBondContact O-N 3.5Å; K596-M599 VanDerWaalsContact O-N 3.17Å; K596-E600 PolarHBondContact O-N 2.74Å; K596-E600 VanDerWaalsContact O-N 3.09Å
597E73.9Confident67.5Low128 Ų128115.8 Ų115.860%0.59858%0.577SS**Hα-helixtrans-61.5-40.1176.9-73-175.4144.300112.3K593 M599 E600 Q601K593-E597 PolarHBondContact O-N 3.4Å; E597-M599 VanDerWaalsContact C-N 3.32Å; E597-M599 PolarHBondContact O-N 2.84Å; E597-E600 PolarHBondContact O-N 3.11Å; E597-Q601 WeakPolarHBondContact O-CG 3.21Å; E597-Q601 PolarHBondContact O-N 2.91Å
598K74.2Confident65Low151 Ų151116.3 Ų116.366%0.65759%0.587SS**Hα-helixtrans-59.7-43.3173.4-73176.2178.6179.90111.8A594 E595 K596 E600 Q601 E602A594-K598 WeakPolarHBondContact O-CG 3.21Å; A594-K598 PolarHBondContact O-N 3.28Å; E595-K598 PolarHBondContact O-N 3.06Å; K596-K598 VanDerWaalsContact C-N 3.34Å; K596-K598 PolarHBondContact O-N 3.43Å; K598-E600 VanDerWaalsContact C-N 3.29Å; K598-E600 PolarHBondContact O-N 3.34Å; K598-Q601 PolarHBondContact O-N 3.48Å; K598-E602 PolarHBondContact O-N 2.85Å
599M68.4Low62.4Low99 Ų99117.4 Ų117.449%0.48860%0.604SS.*Hα-helixtrans-71.8-20.9-177.8-144.8-178.1-70.100113.5E595 K596 E597E595-M599 PolarHBondContact O-N 2.92Å; K596-M599 PolarHBondContact O-N 3.5Å; K596-M599 VanDerWaalsContact O-N 3.17Å; E597-M599 VanDerWaalsContact C-N 3.32Å; E597-M599 PolarHBondContact O-N 2.84Å
600E67.8Low60Low111 Ų111121.5 Ų121.552%0.51963%0.627SS.*Hα-helixtrans-83.8-38.2170.2-74.3178.9173.500111.9K596 E597 K598 K603 T604K596-E600 PolarHBondContact O-N 2.74Å; K596-E600 VanDerWaalsContact O-N 3.09Å; E597-E600 PolarHBondContact O-N 3.11Å; K598-E600 VanDerWaalsContact C-N 3.29Å; K598-E600 PolarHBondContact O-N 3.34Å; E600-K603 PolarHBondContact O-N 3.09Å; E600-T604 PolarHBondContact O-N 2.84Å; E600-T604 VanDerWaalsContact O-N 3.16Å; E600-T604 PolarHBondContact O-OG1 2.9Å
601Q58.2Low57.5Low130 Ų130125.1 Ų125.161%0.60764%0.64SS**Hα-helixtrans-61.4-44.4173.2-72.2179.49.600112.2E597 K598 K603 T604 L605E597-Q601 WeakPolarHBondContact O-CG 3.21Å; E597-Q601 PolarHBondContact O-N 2.91Å; K598-Q601 PolarHBondContact O-N 3.48Å; Q601-K603 VanDerWaalsContact C-N 3.31Å; Q601-K603 PolarHBondContact O-N 3.25Å; Q601-T604 PolarHBondContact O-N 3.33Å; Q601-T604 VanDerWaalsContact O-N 3.15Å; Q601-T604 PolarHBondContact O-OG1 3.08Å; Q601-L605 WeakPolarHBondContact O-CD1 3.37Å
602E59.3Low54.9Low148 Ų148132.4 Ų132.469%0.69266%0.661SS**Hα-helixtrans-64.1-34179.6-166.7166.2-137.300112.7K598K598-E602 PolarHBondContact O-N 2.85Å
603K51.3Low52.4Low146 Ų146130.5 Ų130.564%0.63567%0.666SS**Hα-helixtrans-70.1-34.2173.6-79.4174.3179.7164.40113.4E600 Q601 L605 Q606E600-K603 PolarHBondContact O-N 3.09Å; Q601-K603 VanDerWaalsContact C-N 3.31Å; Q601-K603 PolarHBondContact O-N 3.25Å; K603-L605 VanDerWaalsContact C-N 3.29Å; K603-L605 PolarHBondContact O-N 2.77Å; K603-Q606 PolarHBondContact O-N 3.03Å
604T44.1Very low50.3Low96 Ų96129.1 Ų129.159%0.58967%0.67SS**Hα-helixtrans-72.4-16.6-178.651.10000114.6E600 Q601E600-T604 PolarHBondContact O-N 2.84Å; E600-T604 VanDerWaalsContact O-N 3.16Å; E600-T604 PolarHBondContact O-OG1 2.9Å; Q601-T604 PolarHBondContact O-N 3.33Å; Q601-T604 VanDerWaalsContact O-N 3.15Å; Q601-T604 PolarHBondContact O-OG1 3.08Å
605L45.2Very low47.7Very low148 Ų148135.1 Ų135.178%0.77569%0.689SS**THydrogen-bonded Turntrans-83-12.8174.1-8984.5000114.6Q601 K603Q601-L605 WeakPolarHBondContact O-CD1 3.37Å; K603-L605 VanDerWaalsContact C-N 3.29Å; K603-L605 PolarHBondContact O-N 2.77Å
606Q38.5Very low45.3Very low179 Ų179135.4 Ų135.484%0.83670%0.699SS**SBendtrans-101.85.8-176.3-70.6-168.4-4.700115.1K603K603-Q606 PolarHBondContact O-N 3.03Å
607S31.4Very low43Very low93 Ų93134.3 Ų134.365%0.6571%0.708SS**SBendtrans-119.523-173.471.30000116
608V32.9Very low40.7Very low120 Ų120137.1 Ų137.173%0.72772%0.721SS**SBendtrans-140.669.8176.2-165.60000113.1
609T31.6Very low38.4Very low141 Ų141137.9 Ų137.987%0.86573%0.727SS**  trans-175.8104.114214.50000112.6
610I29.9Very low36.5Very low159 Ų159140 Ų14082%0.81574%0.736SS**  trans-140.9110156.7-59.8-179000106.9
611D28.2Very low34.6Very low145 Ų145141.7 Ų141.778%0.77575%0.747SS**  168.6117123.3-104.4-35000113
612K30.7Very low33.1Very low213 Ų213145 Ų14593%0.92676%0.759SS**  trans-179.3105.8143.2-104.1165.4-174.9175.70111.3
613S25.2Very low32.1Very low106 Ų106143.3 Ų143.374%0.74176%0.761SS**  trans-97.2-170.7168.262.20000110.1
614P34.9Very low30.9Very low95 Ų95144 Ų14462%0.61777%0.771SS**  cis-138.5161.2-2.840.1-22.1000118
615Q24.5Very low30.1Very low175 Ų175146 Ų14682%0.81878%0.778SS**  trans62.1171.1154.5-68.1167.7-88.600117.9
616V26.5Very low29.3Very low128 Ų128144 Ų14478%0.77677%0.772SS**  cis-119.5-153.8-2.5-135.10000109.1
617S25.9Very low28.8Very low110 Ų110143.8 Ų143.877%0.76977%0.771SS**  cis-148.1-166.514-55.20000110.6
618E25.5Very low28.6Very low187 Ų187145 Ų14587%0.87478%0.779SS**  trans-121.5-178.7171.1-65.3-177.910100112.7
619E26.2Very low28.5Very low166 Ų166142.9 Ų142.978%0.77678%0.782SS**  trans76.9145.4173-55.9-152.6105.900117.4
620Q29.2Very low28.3Very low145 Ų145142.3 Ų142.368%0.67878%0.784SS**  cis-156.2146.80.5-124.1173.442.300112.9
621I28Very low28.4Very low146 Ų146144.4 Ų144.475%0.74979%0.787SS**  trans29.9105.8145.9-53.9169000121.9
622K25.8Very low28.4Very low198 Ų198142.5 Ų142.586%0.86179%0.785SS**  57.4170.9117.3-105.5-166.9174.61790122
623P38.1Very low28.2Very low113 Ų113144.5 Ų144.573%0.73479%0.787SS**  -132.9-178.4-123.344.7-26.3000117.4
624L27Very low28.4Very low162 Ų162145.4 Ų145.485%0.84879%0.788SS**  trans-151.6162.6154.7-162.554.7000113
625N26.5Very low28.4Very low137 Ų137148.8 Ų148.873%0.73380%0.801SS**  trans-81.5-175.5174.1-53.5-31.6000110.7
626T28.4Very low29.2Very low106 Ų106144.5 Ų144.565%0.6580%0.796SS**  cis-160.116618.7-27.40000110.7
627E28.8Very low30.1Very low175 Ų175144.1 Ų144.182%0.81880%0.796SS**  trans64.9149.9157-76.9156.1-122.400118.8
628S26.3Very low31.6Very low117 Ų117148.1 Ų148.182%0.81880%0.8SS**  cis-151.2155-18.257.50000109.3
629G31.9Very low33.3Very low76 Ų76143.1 Ų143.178%0.78478%0.778SS**  trans177.4109.6179.400000112.5
630S27.4Very low35.3Very low129 Ų129140.3 Ų140.390%0.90277%0.773SS**  trans-71127.7-174.941.70000113
631K32.4Very low37.7Very low203 Ų203133.8 Ų133.888%0.88374%0.743SS**  trans-139150.1157.7-101.6-178.7178.4-1800110.5
632S28.4Very low40.1Very low106 Ų106134.5 Ų134.574%0.74174%0.736SS**  trans-69.8143.8-168.845.50000113.7T634S632-T634 PolarHBondContact O-N 2.74Å
633W24.5Very low42.8Very low254 Ų254131.3 Ų131.396%0.96273%0.728SS**SBendtrans-66.4106.7162.4-75.322.1000110.3
634T30.4Very low45Very low125 Ų125132.3 Ų132.377%0.76773%0.727SS**  trans-177.788.614534.40000108.7S632S632-T634 PolarHBondContact O-N 2.74Å
635D34.7Very low47.8Very low166 Ų166125.7 Ų125.789%0.88869%0.694SS**  trans-144.471.1163.3-100.2-41.6000108.7
636A41.4Very low50.9Low85 Ų85119.3 Ų119.370%0.70266%0.66SS**  trans-71.7130.1162.700000107.8K638A636-K638 PolarHBondContact O-N 3.11Å
637P46Very low53.9Low121 Ų121114.3 Ų114.379%0.78663%0.629SS**  trans-63.9115.3-175.925.3-33.7000110L639P637-L639 PolarHBondContact O-N 2.96Å; P637-L639 VanDerWaalsContact O-N 3.07Å
638K56.4Low56.7Low193 Ų193106 Ų10684%0.83959%0.59SS**  trans-58.3115.3173.3-74.7-172175.3-174.30109A636 T640A636-K638 PolarHBondContact O-N 3.11Å; K638-T640 VanDerWaalsContact C-N 3.32Å; K638-T640 PolarHBondContact O-N 3Å
639L61.5Low59.6Low82 Ų82100.4 Ų100.443%0.42955%0.551SS.*  trans-69.786.9175.3-80.9161.2000109.4I224 L418 P637I224-L639 HydrophobicContact CG2-CD1 4.48Å; L418-L639 HydrophobicContact CD1-CB 4.34Å; P637-L639 PolarHBondContact O-N 2.96Å; P637-L639 VanDerWaalsContact O-N 3.07Å
640T68.5Low61.9Low108 Ų10897 Ų9766%0.66352%0.515SS*.PPolyproline II helixtrans-69.2131.5176.447.50000111.1E415 K638E415-T640 WeakPolarHBondContact OE1-CA 3.2Å; K638-T640 VanDerWaalsContact C-N 3.32Å; K638-T640 PolarHBondContact O-N 3Å
641L78.8Confident64Low8 Ų894.4 Ų94.44%0.04249%0.485CS..PPolyproline II helixtrans-81160.9173.1-62.6-179.8000110.4I224 K411 E415 I648I224-L641 HydrophobicContact CD1-CD2 3.58Å; I224-L641 HydrophobicContact CG1-CD2 4.28Å; K411-L641 HydrophobicContact CD-CB 4.36Å; K411-L641 WeakPolarHBondContact CE-O 3.43Å; K411-L641 HydrophobicContact CG-CB 3.74Å; K411-L641 HydrophobicContact CG-CD1 4Å; K411-L641 HydrophobicContact CG-CG 4.43Å; K411-L641 PolarHBondContact NZ-O 2.76Å; E415-L641 HydrophobicContact CG-CB 4.5Å; E415-L641 HydrophobicContact CG-CD1 4.04Å; E415-L641 HydrophobicContact CG-CG 3.92Å; E415-L641 PolarHBondContact OE1-N 2.93Å; L641-I648 HydrophobicContact CD1-CD1 3.94Å
642R79.1Confident65.7Low160 Ų16087.5 Ų87.560%0.60446%0.455SS*.PPolyproline II helixtrans-69.2151.8175.7-69.8174.7176.9175.40.9110.7Q222 W407 L644Q222-R642 VanDerWaalsContact OE1-CG 3.31Å; W407-R642 WeakPolarHBondContact CZ2-O 3.38Å; W407-R642 PolarHBondContact NE1-O 3.05Å; R642-L644 VanDerWaalsContact C-N 3.28Å
643D81.6Confident67.1Low131 Ų13188.7 Ų88.770%0.70145%0.447SS*.SBendtrans-78.6-16177.9-50.3-60.3000112.7W407 K411W407-D643 PolarHBondContact NE1-O 3.25Å; K411-D643 IonicContact NZ-OD1 2.71Å; K411-D643 PolarHBondContact NZ-OD1 3.01Å
644L84.6Confident68.6Low135 Ų13580.8 Ų80.871%0.70743%0.427SS*.SBendtrans-88.6140.1174.4-64.5172.8000111.7W407 R642W407-L644 WeakPolarHBondContact CZ2-O 3.47Å; W407-L644 PolarHBondContact NE1-O 3.2Å; R642-L644 VanDerWaalsContact C-N 3.28Å
645P87.2Confident69.9Low23 Ų2377.8 Ų77.815%0.14941%0.408CS..  trans-49.7138.2175-29.835.4000114.4T220 P402 D404 W407T220-P645 PolarHBondContact OG1-O 2.9Å; P402-P645 HydrophobicContact CG-CB 4.32Å; D404-P645 WeakPolarHBondContact OD1-CD 3.4Å; D404-P645 WeakPolarHBondContact OD1-CG 3.41Å; W407-P645 HydrophobicContact CB-CB 4.35Å; W407-P645 HydrophobicContact CB-CG 4.01Å; W407-P645 HydrophobicContact CG-CB 4.26Å; W407-P645 HydrophobicContact CG-CG 4.09Å
646S90Very high71.5Confident3 Ų374.8 Ų74.82%0.02139%0.392CS..  trans-158.9156172.957.50000113T220 Q222 W407 I648T220-S646 WeakPolarHBondContact O-CA 3.16Å; T220-S646 WeakPolarHBondContact O-CB 3.24Å; T220-S646 WeakPolarHBondContact OG1-CA 3.43Å; Q222-S646 WeakPolarHBondContact CB-OG 3.35Å; W407-S646 WeakPolarHBondContact CH2-OG 3.49Å; W407-S646 WeakPolarHBondContact CZ3-O 3.4Å; S646-I648 PolarHBondContact O-N 2.94Å
647I91.1Very high73.1Confident0 Ų071.1 Ų71.10%036%0.361CS..EExtended strand (participates in β ladder)trans-74.7123.7165.6-74.6149.7000107.8T220 F221 Q222 L330 V397 L400 M401 F426 V649T220-I647 PolarHBondContact O-N 2.83Å; F221-I647 WeakPolarHBondContact CA-O 3.17Å; F221-I647 HydrophobicContact CD1-CB 3.73Å; F221-I647 HydrophobicContact CD1-CD1 4.46Å; F221-I647 HydrophobicContact CD1-CG2 3.7Å; F221-I647 HydrophobicContact CE1-CB 3.91Å; F221-I647 HydrophobicContact CE1-CD1 3.84Å; F221-I647 HydrophobicContact CE1-CG1 4.5Å; F221-I647 HydrophobicContact CE1-CG2 3.8Å; Q222-I647 PolarHBondContact N-O 2.87Å; L330-I647 HydrophobicContact CD1-CG2 3.5Å; L330-I647 VanDerWaalsContact CD1-CG2 3.5Å; L330-I647 HydrophobicContact CD2-CG2 4.1Å; L330-I647 HydrophobicContact CG-CG2 4.47Å; V397-I647 HydrophobicContact CB-CD1 4.14Å; L400-I647 HydrophobicContact CB-CD1 3.92Å; L400-I647 HydrophobicContact CB-CG1 4.07Å; L400-I647 WeakPolarHBondContact O-CG1 3.22Å; M401-I647 HydrophobicContact CE-CB 4.21Å; M401-I647 HydrophobicContact CE-CD1 3.63Å; M401-I647 HydrophobicContact CE-CG1 3.69Å; F426-I647 HydrophobicContact CD1-CG2 3.95Å; F426-I647 HydrophobicContact CE1-CB 4.2Å; F426-I647 HydrophobicContact CE1-CG1 3.85Å; F426-I647 HydrophobicContact CE1-CG2 4.05Å; F426-I647 HydrophobicContact CZ-CG1 4.41Å; I647-V649 HydrophobicContact CG2-CG2 4.41Å
648I88.5Confident74.8Confident0 Ų068.6 Ų68.60%034%0.343CS..EExtended strand (participates in β ladder)trans-81.4131.1179.1-68.6166.1000109.4I224 W407 I410 Y414 F426 L641 S646 L650I224-I648 HydrophobicContact CD1-CG2 3.56Å; I224-I648 HydrophobicContact CG1-CG2 4.35Å; W407-I648 HydrophobicContact CH2-CD1 3.85Å; W407-I648 HydrophobicContact CH2-CG1 3.9Å; W407-I648 HydrophobicContact CZ3-CD1 3.82Å; W407-I648 HydrophobicContact CZ3-CG1 4.05Å; I410-I648 HydrophobicContact CG2-CD1 4.28Å; Y414-I648 HydrophobicContact CD1-CD1 4.41Å; Y414-I648 HydrophobicContact CD1-CG2 4.47Å; Y414-I648 HydrophobicContact CD2-CD1 3.35Å; Y414-I648 HydrophobicContact CE1-CG2 4.4Å; Y414-I648 HydrophobicContact CE2-CD1 3.8Å; Y414-I648 HydrophobicContact CG-CD1 3.69Å; F426-I648 WeakPolarHBondContact CB-O 3.47Å; F426-I648 HydrophobicContact CD2-CB 3.74Å; F426-I648 HydrophobicContact CD2-CD1 4.34Å; F426-I648 HydrophobicContact CD2-CG1 4.32Å; F426-I648 HydrophobicContact CE2-CB 4.29Å; F426-I648 HydrophobicContact CE2-CD1 4.4Å; F426-I648 HydrophobicContact CE2-CG1 4.43Å; F426-I648 HydrophobicContact CG-CB 4.3Å; L641-I648 HydrophobicContact CD1-CD1 3.94Å; S646-I648 PolarHBondContact O-N 2.94Å; I648-L650 HydrophobicContact CG2-CD1 3.9Å; I648-L650 HydrophobicContact CG2-CG 3.93Å
649V87.7Confident76.3Confident1 Ų160.4 Ų60.41%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-121.3117.5-176.7177.60000108.6F221 Q222 I223 I224 L284 I328 I647 V659F221-V649 HydrophobicContact CB-CG2 4.08Å; F221-V649 HydrophobicContact CD1-CG2 3.88Å; F221-V649 HydrophobicContact CG-CG2 4.33Å; Q222-V649 PolarHBondContact O-N 3.46Å; I223-V649 HydrophobicContact CG1-CB 4.43Å; I223-V649 HydrophobicContact CG1-CG1 4.49Å; I224-V649 PolarHBondContact N-O 3.14Å; L284-V649 HydrophobicContact CD2-CG1 3.97Å; L284-V649 HydrophobicContact CD2-CG2 3.9Å; I328-V649 HydrophobicContact CB-CG1 3.96Å; I328-V649 HydrophobicContact CD1-CG1 4.24Å; I647-V649 HydrophobicContact CG2-CG2 4.41Å; V649-V659 HydrophobicContact CG1-CG1 4.45Å
650L78.7Confident77.6Confident3 Ų361.4 Ų61.42%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-113.8105.9-169.4-73.9148.2000110I224 I328 G329 Y414 L418 K424 I648 K652I224-L650 HydrophobicContact CB-CD2 4.2Å; I224-L650 HydrophobicContact CD1-CD2 4.09Å; I224-L650 HydrophobicContact CG2-CD2 4.41Å; I328-L650 CarbonylContact C-O 3.51Å; I328-L650 WeakPolarHBondContact CA-O 3.23Å; I328-L650 PolarHBondContact O-N 3.18Å; I328-L650 VanDerWaalsContact O-O 3.08Å; G329-L650 PolarHBondContact N-O 3.03Å; Y414-L650 HydrophobicContact CD1-CD1 4.44Å; Y414-L650 HydrophobicContact CE1-CD1 3.78Å; L418-L650 HydrophobicContact CD2-CD2 4.39Å; K424-L650 HydrophobicContact CB-CD1 4.2Å; I648-L650 HydrophobicContact CG2-CD1 3.9Å; I648-L650 HydrophobicContact CG2-CG 3.93Å; L650-K652 PolarHBondContact O-N 3.44Å; L650-K652 VanDerWaalsContact O-N 3.08Å
651R72.9Confident78.5Confident75 Ų7558.2 Ų58.228%0.28329%0.294SS..  trans-69.4103.3-179.1-177.6-167.3-177.6-128.2-3.7110.5F657R651-F657 HydrophobicContact CG-CE2 3.96Å; R651-F657 HydrophobicContact CG-CZ 4.1Å; R651-F657 VanDerWaalsContact CZ-O 3.23Å; R651-F657 PolarHBondContact NE-O 2.96Å; R651-F657 PolarHBondContact NH2-O 2.68Å
652K67.2Low79Confident58 Ų5858.1 Ų58.125%0.25229%0.293SS..  trans-72.5142.1172.7-71.9173.3174.7175.70110.8K325 Q326 L327 L650 T654 F657K325-K652 PolarHBondContact O-NZ 3.49Å; Q326-K652 VanDerWaalsContact O-CD 3.29Å; Q326-K652 WeakPolarHBondContact O-CD 3.36Å; L327-K652 PolarHBondContact O-N 3.03Å; L650-K652 PolarHBondContact O-N 3.44Å; L650-K652 VanDerWaalsContact O-N 3.08Å; K652-T654 VanDerWaalsContact C-N 3.3Å; K652-T654 PolarHBondContact O-N 3.08Å; K652-F657 WeakPolarHBondContact O-CE1 3.15Å; K652-F657 WeakPolarHBondContact O-CZ 3.46Å
653K58.3Low79.4Confident132 Ų13251 Ų5157%0.57427%0.27SS*.THydrogen-bonded Turntrans-78.7-7.3-173.9-158.4178.5-178.2-178.50114.2V655K653-V655 PolarHBondContact O-N 3.25Å
654T56Low79.7Confident88 Ų8844.8 Ų44.854%0.5424%0.236SC..THydrogen-bonded Turntrans-62.2-13.8-171.647.40000115.7K652K652-T654 VanDerWaalsContact C-N 3.3Å; K652-T654 PolarHBondContact O-N 3.08Å
655V57.5Low79.7Confident61 Ų6140.8 Ų40.837%0.3722%0.216SC..SBendtrans-146.3144170.2176.40000109.1K653 F657K653-V655 PolarHBondContact O-N 3.25Å; V655-F657 HydrophobicContact CB-CD1 3.76Å; V655-F657 HydrophobicContact CB-CE1 4.1Å; V655-F657 HydrophobicContact CG1-CD1 4.07Å; V655-F657 WeakPolarHBondContact O-CD1 3.45Å; V655-F657 WeakPolarHBondContact O-CE1 3.19Å; V655-F657 PolarHBondContact O-N 2.6Å
656D68.3Low79.7Confident103 Ų10343.4 Ų43.455%0.55123%0.231SC*.  trans-73.266.6174.1-80.5-49.1000113.9K288 V289K288-D656 CarbonylContact C-O 3.36Å; K288-D656 VanDerWaalsContact CA-O 3.28Å; K288-D656 WeakPolarHBondContact CA-O 3.14Å; K288-D656 VanDerWaalsContact CG-O 3.22Å; K288-D656 WeakPolarHBondContact CG-O 3.21Å; V289-D656 HydrophobicContact CG2-CB 4.08Å; V289-D656 PolarHBondContact N-O 3.28Å
657F75.1Confident79.3Confident9 Ų943.3 Ų43.34%0.03923%0.23CC..EExtended strand (participates in β ladder)trans-105.8142.8168.762.8-81.1000111.8A286 G287 L327 I328 R651 K652 V655 V659A286-F657 HydrophobicContact CB-CD2 4.33Å; G287-F657 CarbonylContact O-C 3.56Å; G287-F657 VanDerWaalsContact O-CA 3.29Å; G287-F657 WeakPolarHBondContact O-CA 3.35Å; L327-F657 HydrophobicContact CB-CZ 4.31Å; L327-F657 HydrophobicContact CD2-CD1 4.17Å; L327-F657 HydrophobicContact CD2-CE1 4.02Å; L327-F657 WeakPolarHBondContact O-CZ 3.35Å; I328-F657 HydrophobicContact CG2-CE2 4.21Å; R651-F657 HydrophobicContact CG-CE2 3.96Å; R651-F657 HydrophobicContact CG-CZ 4.1Å; R651-F657 VanDerWaalsContact CZ-O 3.23Å; R651-F657 PolarHBondContact NE-O 2.96Å; R651-F657 PolarHBondContact NH2-O 2.68Å; K652-F657 WeakPolarHBondContact O-CE1 3.15Å; K652-F657 WeakPolarHBondContact O-CZ 3.46Å; V655-F657 HydrophobicContact CB-CD1 3.76Å; V655-F657 HydrophobicContact CB-CE1 4.1Å; V655-F657 HydrophobicContact CG1-CD1 4.07Å; V655-F657 WeakPolarHBondContact O-CD1 3.45Å; V655-F657 WeakPolarHBondContact O-CE1 3.19Å; V655-F657 PolarHBondContact O-N 2.6Å; F657-V659 HydrophobicContact CD2-CG2 3.53Å; F657-V659 HydrophobicContact CE2-CG2 3.45Å; F657-V659 VanDerWaalsContact CE2-CG2 3.45Å
658T82.3Confident78.8Confident68 Ų6844.9 Ų44.942%0.41724%0.238SC..EExtended strand (participates in β ladder)trans-87.1148.7163.960.90000109.2A286 G287A286-T658 WeakPolarHBondContact CA-O 3.49Å; G287-T658 PolarHBondContact N-O 3.26Å; G287-T658 PolarHBondContact O-N 3.08Å; G287-T658 PolarHBondContact O-OG1 3.45Å
659V87.2Confident78.4Confident21 Ų2148.5 Ų48.513%0.12726%0.257CS..EExtended strand (participates in β ladder)trans-123.6132.7171.6-1730000107.9I223 L284 A285 A286 I328 V649 F657I223-V659 HydrophobicContact CD1-CG1 4.18Å; L284-V659 HydrophobicContact CD1-CG1 3.75Å; L284-V659 HydrophobicContact CD2-CG1 4.35Å; L284-V659 HydrophobicContact CG-CG1 3.89Å; A285-V659 WeakPolarHBondContact O-CA 3.13Å; A286-V659 HydrophobicContact CB-CG2 4.35Å; I328-V659 HydrophobicContact CG2-CG1 4.49Å; I328-V659 HydrophobicContact CG2-CG2 3.85Å; V649-V659 HydrophobicContact CG1-CG1 4.45Å; F657-V659 HydrophobicContact CD2-CG2 3.53Å; F657-V659 HydrophobicContact CE2-CG2 3.45Å; F657-V659 VanDerWaalsContact CE2-CG2 3.45Å
660Q88Confident77.6Confident103 Ų10350.7 Ų50.748%0.48127%0.273SS..EExtended strand (participates in β ladder)trans-143.2140.3-178.8-172173.30.900111A285 L293 V662A285-Q660 PolarHBondContact N-O 2.94Å; A285-Q660 PolarHBondContact O-N 3.38Å; L293-Q660 HydrophobicContact CD1-CB 4.33Å; Q660-V662 HydrophobicContact CB-CG2 4.17Å; Q660-V662 HydrophobicContact CG-CG2 4.08Å; Q660-V662 PolarHBondContact O-N 3.28Å
661S88.8Confident77.3Confident41 Ų4158.5 Ų58.529%0.28731%0.307SS..EExtended strand (participates in β ladder)trans-82.6108.6164.3-175.50000108.4
662V88.5Confident77.2Confident6 Ų655.8 Ų55.84%0.03630%0.299CS..EExtended strand (participates in β ladder)trans-103.1129.7-175-168.20000109.5K282 I283 A285 L293 Q660 V666 V667 F674K282-V662 CarbonylContact C-O 3.5Å; K282-V662 WeakPolarHBondContact CA-O 3.49Å; K282-V662 WeakPolarHBondContact CB-O 3.34Å; I283-V662 PolarHBondContact N-O 3.3Å; I283-V662 PolarHBondContact O-N 3.32Å; A285-V662 HydrophobicContact CB-CG2 3.96Å; L293-V662 HydrophobicContact CD1-CG2 4.03Å; Q660-V662 HydrophobicContact CB-CG2 4.17Å; Q660-V662 HydrophobicContact CG-CG2 4.08Å; Q660-V662 PolarHBondContact O-N 3.28Å; V662-V666 HydrophobicContact CG1-CB 4.23Å; V662-V666 HydrophobicContact CG1-CG1 4.43Å; V662-V667 HydrophobicContact CG1-CG2 3.61Å; V662-F674 HydrophobicContact CG1-CE2 4.38Å; V662-F674 HydrophobicContact CG1-CZ 4.08Å
663G88.2Confident77.3Confident10 Ų1058.1 Ų58.110%0.10332%0.315CS..EExtended strand (participates in β ladder)trans-73142.917300000111.8D665 V666 V667G663-D665 PolarHBondContact O-N 2.98Å; G663-V666 PolarHBondContact O-N 2.9Å; G663-V666 VanDerWaalsContact O-N 3.1Å; G663-V667 PolarHBondContact O-N 3.14Å
664L87.9Confident78Confident0 Ų052.8 Ų52.80%029%0.291CS..Hα-helixtrans-67.5-17.7178.2-61.5-166.3000112.6R278 I281 I283 M668 I686 F690R278-L664 PolarHBondContact O-N 3.5Å; I281-L664 HydrophobicContact CB-CD1 3.82Å; I281-L664 HydrophobicContact CB-CG 4.16Å; I281-L664 HydrophobicContact CG2-CD1 3.51Å; I281-L664 HydrophobicContact CG2-CG 4Å; I281-L664 PolarHBondContact O-N 2.98Å; I283-L664 HydrophobicContact CD1-CD2 3.86Å; I283-L664 HydrophobicContact CG1-CD2 3.83Å; L664-M668 VanDerWaalsContact O-CB 3.24Å; L664-M668 WeakPolarHBondContact O-CB 3.36Å; L664-M668 WeakPolarHBondContact O-CG 3.4Å; L664-M668 PolarHBondContact O-N 3.4Å; L664-M668 VanDerWaalsContact O-N 3.08Å; L664-I686 HydrophobicContact CB-CG2 4.49Å; L664-I686 HydrophobicContact CD1-CG2 4.38Å; L664-I686 HydrophobicContact CD2-CB 4.34Å; L664-I686 HydrophobicContact CD2-CD1 3.72Å; L664-I686 HydrophobicContact CD2-CG1 3.66Å; L664-I686 HydrophobicContact CD2-CG2 3.81Å; L664-I686 HydrophobicContact CG-CG2 4.45Å; L664-F690 HydrophobicContact CB-CE2 3.9Å; L664-F690 HydrophobicContact CB-CZ 3.96Å; L664-F690 HydrophobicContact CD1-CE2 3.47Å; L664-F690 VanDerWaalsContact CD1-CE2 3.47Å; L664-F690 HydrophobicContact CD1-CZ 3.77Å; L664-F690 HydrophobicContact CG-CE2 4.31Å
665D85.3Confident78.8Confident51 Ų5150.8 Ų50.827%0.27328%0.276SS..Hα-helixtrans-68.8-35.2170.964.5-34.4000112.9R278 K279 G663 D669R278-D665 HydrophobicContact CB-CB 3.68Å; R278-D665 PolarHBondContact O-N 3.39Å; K279-D665 VanDerWaalsContact CE-OD2 3.28Å; K279-D665 WeakPolarHBondContact CE-OD2 3.35Å; K279-D665 HydrophobicContact CG-CB 4.21Å; K279-D665 VanDerWaalsContact CG-OD2 3.32Å; K279-D665 WeakPolarHBondContact CG-OD2 3.48Å; G663-D665 PolarHBondContact O-N 2.98Å; D665-D669 PolarHBondContact O-N 3.08Å
666V85.9Confident79.6Confident78 Ų7849.5 Ų49.547%0.47327%0.267SS..Hα-helixtrans-69.6-45175.7-177.40000111V662 G663 S672 F674V662-V666 HydrophobicContact CG1-CB 4.23Å; V662-V666 HydrophobicContact CG1-CG1 4.43Å; G663-V666 PolarHBondContact O-N 2.9Å; G663-V666 VanDerWaalsContact O-N 3.1Å; V666-S672 WeakPolarHBondContact O-CB 3.22Å; V666-F674 HydrophobicContact CG1-CE2 4.45Å
667V81.3Confident79.9Confident2 Ų246.6 Ų46.61%0.01226%0.255CS..Hα-helixtrans-69.9-40.5-178.3-176.20000111.6V662 G663 D669 S672 F674 M675 F682 I686V662-V667 HydrophobicContact CG1-CG2 3.61Å; G663-V667 PolarHBondContact O-N 3.14Å; V667-D669 VanDerWaalsContact C-N 3.33Å; V667-D669 PolarHBondContact O-N 2.94Å; V667-S672 PolarHBondContact O-OG 2.85Å; V667-F674 HydrophobicContact CB-CD2 4.38Å; V667-F674 HydrophobicContact CB-CG 4.39Å; V667-F674 HydrophobicContact CG1-CB 3.74Å; V667-F674 HydrophobicContact CG1-CD1 4.19Å; V667-F674 HydrophobicContact CG1-CD2 4.34Å; V667-F674 HydrophobicContact CG1-CG 3.87Å; V667-F674 HydrophobicContact CG2-CD1 4.31Å; V667-F674 HydrophobicContact CG2-CD2 4.11Å; V667-F674 HydrophobicContact CG2-CE1 4.25Å; V667-F674 HydrophobicContact CG2-CE2 4.08Å; V667-F674 HydrophobicContact CG2-CG 4.23Å; V667-F674 HydrophobicContact CG2-CZ 4.15Å; V667-M675 WeakPolarHBondContact O-CE 3.09Å; V667-F682 HydrophobicContact CG2-CE1 4.19Å; V667-I686 HydrophobicContact CB-CD1 3.96Å; V667-I686 HydrophobicContact CG1-CD1 3.64Å; V667-I686 HydrophobicContact CG1-CG2 4.49Å; V667-I686 HydrophobicContact CG2-CD1 3.91Å
668M80.7Confident80Confident32 Ų3251.4 Ų51.416%0.15827%0.273CS..THydrogen-bonded Turntrans-80.3-0.8-176.5-68-172.985.300115.5R278 L664 S670 I686 H687 F690R278-M668 WeakPolarHBondContact CD-SD 3.46Å; R278-M668 HydrophobicContact CG-SD 4.22Å; L664-M668 VanDerWaalsContact O-CB 3.24Å; L664-M668 WeakPolarHBondContact O-CB 3.36Å; L664-M668 WeakPolarHBondContact O-CG 3.4Å; L664-M668 PolarHBondContact O-N 3.4Å; L664-M668 VanDerWaalsContact O-N 3.08Å; M668-S670 PolarHBondContact O-N 3.39Å; M668-I686 HydrophobicContact CG-CG2 3.84Å; M668-I686 HydrophobicContact SD-CG2 4.42Å; M668-H687 VanDerWaalsContact CE-CE1 3.48Å; M668-H687 WeakPolarHBondContact CE-CE1 3.36Å; M668-F690 HydrophobicContact CE-CD2 3.9Å; M668-F690 HydrophobicContact CE-CE2 4.31Å; M668-F690 HydrophobicContact CE-CG 4.39Å; M668-F690 HydrophobicContact CG-CE2 4.46Å; M668-F690 HydrophobicContact SD-CD2 3.37Å; M668-F690 WeakPolarHBondContact SD-CD2 3.33Å; M668-F690 HydrophobicContact SD-CE2 3.17Å; M668-F690 WeakPolarHBondContact SD-CE2 3.45Å; M668-F690 HydrophobicContact SD-CG 4.2Å; M668-F690 HydrophobicContact SD-CZ 3.87Å
669D80.4Confident80.1Confident76 Ų7648.2 Ų48.241%0.40625%0.253SS..  trans-64.8130.4170.5-167.3-23.8000109.3D665 V667 K671 S672 M675D665-D669 PolarHBondContact O-N 3.08Å; V667-D669 VanDerWaalsContact C-N 3.33Å; V667-D669 PolarHBondContact O-N 2.94Å; D669-K671 PolarHBondContact O-N 2.87Å; D669-K671 PolarHBondContact OD1-N 3.23Å; D669-S672 WeakPolarHBondContact O-CB 3.45Å; D669-S672 PolarHBondContact O-N 3.21Å; D669-S672 PolarHBondContact O-OG 2.75Å; D669-M675 WeakPolarHBondContact O-CG 3.33Å
670S70.3Confident80.1Confident48 Ų4847.3 Ų47.334%0.33625%0.248SC..THydrogen-bonded Turntrans-49.2-23.4167.360.20000115.3C163 M668C163-S670 WeakPolarHBondContact CB-OG 3.48Å; M668-S670 PolarHBondContact O-N 3.39Å
671K72.2Confident80.3Confident167 Ų16743.9 Ų43.973%0.72623%0.231SC*.THydrogen-bonded Turntrans-99.52.8177.6-60.6177.7-179.61760113.1D669D669-K671 PolarHBondContact O-N 2.87Å; D669-K671 PolarHBondContact OD1-N 3.23Å
672S72.3Confident80.4Confident18 Ų1842 Ų4213%0.12622%0.218CC..SBendtrans-71.4147.1-175.587.10000111.5V666 V667 D669 F674 M675V666-S672 WeakPolarHBondContact O-CB 3.22Å; V667-S672 PolarHBondContact O-OG 2.85Å; D669-S672 WeakPolarHBondContact O-CB 3.45Å; D669-S672 PolarHBondContact O-N 3.21Å; D669-S672 PolarHBondContact O-OG 2.75Å; S672-F674 PolarHBondContact O-N 3.05Å; S672-F674 PolarHBondContact OG-N 3.08Å; S672-M675 PolarHBondContact O-N 3.23Å; S672-M675 VanDerWaalsContact O-N 3.14Å
673D69.1Low80.4Confident107 Ų10741.8 Ų41.857%0.57222%0.217SC*.THydrogen-bonded Turntrans-58.3-10.7170.1-94.4-68.3000114.2R292R292-D673 WeakPolarHBondContact CD-O 3.38Å; R292-D673 IonicContact CZ-OD1 3.8Å; R292-D673 PolarHBondContact NE-O 3.11Å; R292-D673 VanDerWaalsContact NH1-CG 3.33Å; R292-D673 IonicContact NH1-OD1 2.67Å; R292-D673 PolarHBondContact NH1-OD1 3.17Å; R292-D673 PolarHBondContact NH2-O 3.33Å; R292-D673 IonicContact NH2-OD1 2.68Å; R292-D673 PolarHBondContact NH2-OD1 3.37Å
674F71.7Confident80.6Confident20 Ų2041.3 Ų41.39%0.08821%0.212CC..THydrogen-bonded Turntrans-89-9.5179.2-62.4-95.1000113.7L293 V662 V666 V667 S672 D676 S679 F682L293-F674 HydrophobicContact CB-CE1 3.76Å; L293-F674 HydrophobicContact CB-CZ 4.13Å; L293-F674 HydrophobicContact CD1-CZ 4.09Å; V662-F674 HydrophobicContact CG1-CE2 4.38Å; V662-F674 HydrophobicContact CG1-CZ 4.08Å; V666-F674 HydrophobicContact CG1-CE2 4.45Å; V667-F674 HydrophobicContact CB-CD2 4.38Å; V667-F674 HydrophobicContact CB-CG 4.39Å; V667-F674 HydrophobicContact CG1-CB 3.74Å; V667-F674 HydrophobicContact CG1-CD1 4.19Å; V667-F674 HydrophobicContact CG1-CD2 4.34Å; V667-F674 HydrophobicContact CG1-CG 3.87Å; V667-F674 HydrophobicContact CG2-CD1 4.31Å; V667-F674 HydrophobicContact CG2-CD2 4.11Å; V667-F674 HydrophobicContact CG2-CE1 4.25Å; V667-F674 HydrophobicContact CG2-CE2 4.08Å; V667-F674 HydrophobicContact CG2-CG 4.23Å; V667-F674 HydrophobicContact CG2-CZ 4.15Å; S672-F674 PolarHBondContact O-N 3.05Å; S672-F674 PolarHBondContact OG-N 3.08Å; F674-D676 PolarHBondContact O-N 2.92Å; F674-S679 WeakPolarHBondContact O-CB 3.26Å; F674-F682 HydrophobicContact CD1-CD1 4.02Å; F674-F682 HydrophobicContact CD1-CE1 4.18Å; F674-F682 HydrophobicContact CE1-CD1 4.18Å; F674-F682 AromaticContact CE1-CE1 3.94Å; F674-F682 HydrophobicContact CE1-CE1 3.94Å
675M73.2Confident80.9Confident45 Ų4541.3 Ų41.322%0.22221%0.212CC..SBendtrans-81.748.2180-69.2-71.816300112.1V190 V667 D669 S672 M683V190-M675 HydrophobicContact CG2-CB 4.3Å; V190-M675 HydrophobicContact CG2-SD 4.44Å; V667-M675 WeakPolarHBondContact O-CE 3.09Å; D669-M675 WeakPolarHBondContact O-CG 3.33Å; S672-M675 PolarHBondContact O-N 3.23Å; S672-M675 VanDerWaalsContact O-N 3.14Å; M675-M683 HydrophobicContact CE-CG 4.09Å; M675-M683 HydrophobicContact SD-CG 4.04Å
676D75.7Confident81.1Confident34 Ų3438.9 Ų38.918%0.18220%0.199CC..SBendtrans-130.4174.8178.884.15.5000113.3R292 F674 R678 S679 Y680R292-D676 WeakPolarHBondContact CD-OD2 3.48Å; R292-D676 IonicContact CZ-OD2 3.37Å; R292-D676 IonicContact NE-OD2 2.74Å; R292-D676 PolarHBondContact NE-OD2 2.95Å; R292-D676 IonicContact NH2-OD2 2.56Å; F674-D676 PolarHBondContact O-N 2.92Å; D676-R678 VanDerWaalsContact C-N 3.29Å; D676-R678 PolarHBondContact O-N 2.95Å; D676-R678 WeakPolarHBondContact OD1-CA 3.32Å; D676-R678 WeakPolarHBondContact OD1-CB 3.5Å; D676-R678 PolarHBondContact OD1-N 3.25Å; D676-S679 PolarHBondContact OD1-N 2.8Å; D676-Y680 PolarHBondContact O-N 2.84Å
677C73Confident81.3Confident42 Ų4236.5 Ų36.528%0.28418%0.183SC..SBendtrans-71.2-19.2179.958.80000114
678R76.9Confident81.9Confident111 Ų11136.5 Ų36.542%0.41918%0.183SC..SBendtrans-81.6-28.4-178.7-57.3-178.5-179.9-172.43.5112D676D676-R678 VanDerWaalsContact C-N 3.29Å; D676-R678 PolarHBondContact O-N 2.95Å; D676-R678 WeakPolarHBondContact OD1-CA 3.32Å; D676-R678 WeakPolarHBondContact OD1-CB 3.5Å; D676-R678 PolarHBondContact OD1-N 3.25Å
679S85.2Confident82.4Confident1 Ų135 Ų351%0.00718%0.175CC..SBendtrans-103.111.5173.6-72.70000113.5R292 F674 D676 E681 F682 M683R292-S679 WeakPolarHBondContact CB-OG 3.24Å; F674-S679 WeakPolarHBondContact O-CB 3.26Å; D676-S679 PolarHBondContact OD1-N 2.8Å; S679-E681 PolarHBondContact O-N 3.08Å; S679-F682 PolarHBondContact O-N 3.03Å; S679-F682 VanDerWaalsContact O-N 3.09Å; S679-M683 WeakPolarHBondContact O-CB 3.42Å; S679-M683 PolarHBondContact O-N 3.19Å
680Y88.4Confident82.9Confident2 Ų232.4 Ų32.41%0.00816%0.16CC..Hα-helixtrans-53-47.9-173-171.3-89.8000113.9L183 F187 V190 P192 L196 D676 F682 M683 F684L183-Y680 PolarHBondContact O-OH 3.24Å; F187-Y680 HydrophobicContact CB-CE2 4.5Å; F187-Y680 HydrophobicContact CD2-CE2 4.29Å; V190-Y680 HydrophobicContact CG1-CD2 3.96Å; V190-Y680 HydrophobicContact CG1-CE2 4.47Å; P192-Y680 HydrophobicContact CB-CE1 3.97Å; P192-Y680 HydrophobicContact CB-CE2 4.07Å; L196-Y680 HydrophobicContact CD2-CD1 4.01Å; L196-Y680 HydrophobicContact CD2-CE1 3.89Å; D676-Y680 PolarHBondContact O-N 2.84Å; Y680-F682 PolarHBondContact O-N 2.85Å; Y680-M683 HydrophobicContact CD2-CE 3.65Å; Y680-M683 HydrophobicContact CE2-CE 3.78Å; Y680-M683 HydrophobicContact CG-CE 4.28Å; Y680-M683 PolarHBondContact O-N 2.88Å; Y680-F684 HydrophobicContact CE1-CB 4.45Å; Y680-F684 AromaticContact CE1-CD2 3.95Å; Y680-F684 HydrophobicContact CE1-CD2 3.95Å; Y680-F684 VanDerWaalsContact O-CB 3.25Å; Y680-F684 WeakPolarHBondContact O-CB 3.26Å; Y680-F684 PolarHBondContact O-N 2.97Å
681E91.5Very high83.9Confident30 Ų3030.4 Ų30.414%0.1415%0.146CC..Hα-helixtrans-59-47.3178-60.2-175.4138.900111.7F344 Y346 Y392 S679 F684 C685F344-E681 HydrophobicContact CD1-CG 4.03Å; F344-E681 HydrophobicContact CD2-CG 4.41Å; F344-E681 HydrophobicContact CE1-CB 4.12Å; F344-E681 HydrophobicContact CE1-CG 4.07Å; F344-E681 HydrophobicContact CE2-CB 4.14Å; F344-E681 HydrophobicContact CE2-CG 4.45Å; F344-E681 HydrophobicContact CG-CG 4.23Å; F344-E681 HydrophobicContact CZ-CB 3.91Å; F344-E681 HydrophobicContact CZ-CG 4.29Å; Y346-E681 VanDerWaalsContact CE2-OE1 3.24Å; Y346-E681 WeakPolarHBondContact CE2-OE1 3.48Å; Y346-E681 VanDerWaalsContact CZ-OE1 3.31Å; Y346-E681 WeakPolarHBondContact OH-CG 3.37Å; Y346-E681 PolarHBondContact OH-OE1 2.9Å; Y392-E681 HydrophobicContact CE2-CB 4.01Å; Y392-E681 VanDerWaalsContact OH-CB 3.25Å; Y392-E681 WeakPolarHBondContact OH-CB 3.12Å; Y392-E681 PolarHBondContact OH-OE2 3.25Å; S679-E681 PolarHBondContact O-N 3.08Å; E681-F684 PolarHBondContact O-N 2.88Å; E681-C685 WeakPolarHBondContact O-CB 3.48Å; E681-C685 PolarHBondContact O-N 3.22Å; E681-C685 PolarHBondContact O-SG 2.96Å
682F89.9Confident84.9Confident2 Ų222.4 Ų22.41%0.00911%0.111CC..Hα-helixtrans-66.1-41.3-177.3-172.2-117.2000111.6L249 I283 A285 A295 V667 F674 S679 Y680 C685 I686L249-F682 HydrophobicContact CD2-CE2 4.43Å; I283-F682 HydrophobicContact CB-CZ 4.39Å; I283-F682 HydrophobicContact CG2-CE2 4.06Å; I283-F682 HydrophobicContact CG2-CZ 4.28Å; A285-F682 HydrophobicContact CB-CE1 4.47Å; A285-F682 HydrophobicContact CB-CZ 3.91Å; A295-F682 HydrophobicContact CB-CD2 4.09Å; A295-F682 HydrophobicContact CB-CE2 4.3Å; V667-F682 HydrophobicContact CG2-CE1 4.19Å; F674-F682 HydrophobicContact CD1-CD1 4.02Å; F674-F682 HydrophobicContact CD1-CE1 4.18Å; F674-F682 HydrophobicContact CE1-CD1 4.18Å; F674-F682 AromaticContact CE1-CE1 3.94Å; F674-F682 HydrophobicContact CE1-CE1 3.94Å; S679-F682 PolarHBondContact O-N 3.03Å; S679-F682 VanDerWaalsContact O-N 3.09Å; Y680-F682 PolarHBondContact O-N 2.85Å; F682-C685 WeakPolarHBondContact O-CB 3.45Å; F682-C685 PolarHBondContact O-N 3.13Å; F682-I686 HydrophobicContact CD1-CD1 3.88Å; F682-I686 HydrophobicContact CD2-CD1 4.4Å; F682-I686 HydrophobicContact CE1-CD1 3.54Å; F682-I686 HydrophobicContact CE2-CD1 4.12Å; F682-I686 HydrophobicContact CG-CD1 4.3Å; F682-I686 HydrophobicContact CZ-CD1 3.68Å; F682-I686 WeakPolarHBondContact O-CB 3.46Å; F682-I686 WeakPolarHBondContact O-CG1 3.23Å; F682-I686 PolarHBondContact O-N 3.09Å
683M88.8Confident85.8Confident1 Ų122 Ų221%0.00511%0.107CC..Hα-helixtrans-61.8-46.9172177.9-83.2-65.400111.4F187 V190 M675 S679 Y680 C685 I686 H687F187-M683 HydrophobicContact CB-CE 4.42Å; F187-M683 HydrophobicContact CD1-CE 4.16Å; F187-M683 HydrophobicContact CD1-SD 3.71Å; F187-M683 HydrophobicContact CD2-CE 3.92Å; F187-M683 HydrophobicContact CD2-SD 4.08Å; F187-M683 HydrophobicContact CE1-CE 4.43Å; F187-M683 HydrophobicContact CE1-SD 3.47Å; F187-M683 WeakPolarHBondContact CE1-SD 3.38Å; F187-M683 HydrophobicContact CE2-CE 4.19Å; F187-M683 HydrophobicContact CE2-SD 3.84Å; F187-M683 HydrophobicContact CG-CE 3.9Å; F187-M683 HydrophobicContact CG-SD 4.02Å; F187-M683 HydrophobicContact CZ-CE 4.45Å; F187-M683 HydrophobicContact CZ-SD 3.54Å; F187-M683 VanDerWaalsContact CZ-SD 3.54Å; V190-M683 HydrophobicContact CB-CE 4.4Å; V190-M683 HydrophobicContact CG1-CE 4.29Å; M675-M683 HydrophobicContact CE-CG 4.09Å; M675-M683 HydrophobicContact SD-CG 4.04Å; S679-M683 WeakPolarHBondContact O-CB 3.42Å; S679-M683 PolarHBondContact O-N 3.19Å; Y680-M683 HydrophobicContact CD2-CE 3.65Å; Y680-M683 HydrophobicContact CE2-CE 3.78Å; Y680-M683 HydrophobicContact CG-CE 4.28Å; Y680-M683 PolarHBondContact O-N 2.88Å; M683-C685 PolarHBondContact O-N 2.8Å; M683-I686 PolarHBondContact O-N 2.9Å; M683-H687 PolarHBondContact O-CD2 2.67Å; M683-H687 PolarHBondContact O-N 2.81Å
684F92.2Very high86.9Confident0 Ų018.2 Ų18.20%09%0.085CC..Hα-helixtrans-62.6-40.7177.4-170.7-75.9000111.8Y178 L183 F187 V199 L342 F344 Y680 E681 T688Y178-F684 HydrophobicContact CD2-CZ 4.07Å; Y178-F684 HydrophobicContact CE2-CZ 4.47Å; Y178-F684 HydrophobicContact CG-CZ 4.15Å; L183-F684 HydrophobicContact CD2-CD2 4.24Å; L183-F684 HydrophobicContact CD2-CE2 3.36Å; L183-F684 HydrophobicContact CD2-CZ 3.9Å; F187-F684 HydrophobicContact CD2-CD2 4.26Å; F187-F684 HydrophobicContact CE2-CB 4.44Å; F187-F684 AromaticContact CE2-CD2 3.65Å; F187-F684 HydrophobicContact CE2-CD2 3.65Å; F187-F684 HydrophobicContact CE2-CE2 4.32Å; F187-F684 HydrophobicContact CE2-CG 4.31Å; V199-F684 HydrophobicContact CB-CE1 4.31Å; V199-F684 HydrophobicContact CB-CZ 4.09Å; V199-F684 HydrophobicContact CG1-CD1 4.41Å; V199-F684 HydrophobicContact CG1-CE1 3.63Å; V199-F684 HydrophobicContact CG1-CZ 3.93Å; V199-F684 HydrophobicContact CG2-CZ 4.31Å; L342-F684 HydrophobicContact CD1-CD1 3.8Å; L342-F684 HydrophobicContact CD1-CE1 4.11Å; L342-F684 HydrophobicContact CD2-CE1 4.04Å; F344-F684 HydrophobicContact CE1-CB 4.16Å; F344-F684 AromaticContact CE1-CD1 3.97Å; F344-F684 HydrophobicContact CE1-CD1 3.97Å; F344-F684 HydrophobicContact CE1-CG 4.06Å; F344-F684 HydrophobicContact CZ-CB 4.11Å; F344-F684 AromaticContact CZ-CD1 3.79Å; F344-F684 HydrophobicContact CZ-CD1 3.79Å; F344-F684 HydrophobicContact CZ-CG 4.17Å; Y680-F684 HydrophobicContact CE1-CB 4.45Å; Y680-F684 AromaticContact CE1-CD2 3.95Å; Y680-F684 HydrophobicContact CE1-CD2 3.95Å; Y680-F684 VanDerWaalsContact O-CB 3.25Å; Y680-F684 WeakPolarHBondContact O-CB 3.26Å; Y680-F684 PolarHBondContact O-N 2.97Å; E681-F684 PolarHBondContact O-N 2.88Å; F684-T688 WeakPolarHBondContact O-CB 2.81Å; F684-T688 PolarHBondContact O-N 3.34Å; F684-T688 PolarHBondContact O-OG1 3.36Å
685C93.7Very high88Confident0 Ų017.8 Ų17.80%08%0.083CC..Hα-helixtrans-58.8-51.3172.3-73.90000111.5L249 F341 L342 Y392 E681 F682 M683 H687 T688 I689L249-C685 HydrophobicContact CD1-CB 4.08Å; L249-C685 HydrophobicContact CD2-CB 4.34Å; F341-C685 HydrophobicContact CE1-CB 4.22Å; L342-C685 HydrophobicContact CD1-CB 4.21Å; L342-C685 VanDerWaalsContact CD1-SG 3.5Å; Y392-C685 WeakPolarHBondContact CD1-SG 3.44Å; E681-C685 WeakPolarHBondContact O-CB 3.48Å; E681-C685 PolarHBondContact O-N 3.22Å; E681-C685 PolarHBondContact O-SG 2.96Å; F682-C685 WeakPolarHBondContact O-CB 3.45Å; F682-C685 PolarHBondContact O-N 3.13Å; M683-C685 PolarHBondContact O-N 2.8Å; C685-H687 PolarHBondContact O-N 3.07Å; C685-T688 WeakPolarHBondContact O-CA 3.45Å; C685-T688 WeakPolarHBondContact O-CB 3.4Å; C685-T688 PolarHBondContact O-N 3.31Å; C685-I689 PolarHBondContact O-N 2.75Å; C685-I689 VanDerWaalsContact O-N 3.08Å
686I91.4Very high89Confident0 Ų016.4 Ų16.40%08%0.076CC..Hα-helixtrans-62.2-45-178.6-78167.2000112I283 L664 V667 M668 F682 M683 T688 I689 F690I283-I686 HydrophobicContact CD1-CD1 4.11Å; I283-I686 HydrophobicContact CD1-CG1 3.71Å; L664-I686 HydrophobicContact CB-CG2 4.49Å; L664-I686 HydrophobicContact CD1-CG2 4.38Å; L664-I686 HydrophobicContact CD2-CB 4.34Å; L664-I686 HydrophobicContact CD2-CD1 3.72Å; L664-I686 HydrophobicContact CD2-CG1 3.66Å; L664-I686 HydrophobicContact CD2-CG2 3.81Å; L664-I686 HydrophobicContact CG-CG2 4.45Å; V667-I686 HydrophobicContact CB-CD1 3.96Å; V667-I686 HydrophobicContact CG1-CD1 3.64Å; V667-I686 HydrophobicContact CG1-CG2 4.49Å; V667-I686 HydrophobicContact CG2-CD1 3.91Å; M668-I686 HydrophobicContact CG-CG2 3.84Å; M668-I686 HydrophobicContact SD-CG2 4.42Å; F682-I686 HydrophobicContact CD1-CD1 3.88Å; F682-I686 HydrophobicContact CD2-CD1 4.4Å; F682-I686 HydrophobicContact CE1-CD1 3.54Å; F682-I686 HydrophobicContact CE2-CD1 4.12Å; F682-I686 HydrophobicContact CG-CD1 4.3Å; F682-I686 HydrophobicContact CZ-CD1 3.68Å; F682-I686 WeakPolarHBondContact O-CB 3.46Å; F682-I686 WeakPolarHBondContact O-CG1 3.23Å; F682-I686 PolarHBondContact O-N 3.09Å; M683-I686 PolarHBondContact O-N 2.9Å; I686-T688 PolarHBondContact O-N 3.28Å; I686-I689 PolarHBondContact O-N 3.43Å; I686-F690 HydrophobicContact CG2-CE2 4.44Å; I686-F690 WeakPolarHBondContact O-CD2 3.14Å
687H89.7Confident89.9Confident29 Ų2914.9 Ų14.913%0.1347%0.068CC..Hα-helixtrans-60-36.6173.1-87.3-89.3000112.1F187 M668 M683 C685 I689 F690 D691F187-H687 HydrophobicContact CE1-CB 4.27Å; F187-H687 AromaticContact CE1-CD2 3.68Å; F187-H687 AromaticContact CE1-CE1 3.95Å; F187-H687 AromaticContact CE1-CG 3.67Å; F187-H687 AromaticContact CE1-ND1 3.85Å; F187-H687 AromaticContact CE1-NE2 3.88Å; F187-H687 HydrophobicContact CZ-CB 3.74Å; F187-H687 AromaticContact CZ-CD2 3.9Å; F187-H687 AromaticContact CZ-CG 3.67Å; M668-H687 VanDerWaalsContact CE-CE1 3.48Å; M668-H687 WeakPolarHBondContact CE-CE1 3.36Å; M683-H687 PolarHBondContact O-CD2 2.67Å; M683-H687 PolarHBondContact O-N 2.81Å; C685-H687 PolarHBondContact O-N 3.07Å; H687-I689 VanDerWaalsContact C-N 3.34Å; H687-I689 PolarHBondContact O-N 2.8Å; H687-F690 PolarHBondContact O-N 3.06Å; H687-D691 PolarHBondContact O-N 3.19Å; H687-D691 VanDerWaalsContact O-N 3.11Å
688T92.9Very high90.9Very high2 Ų212.9 Ų12.91%0.0126%0.055CC..Hα-helixtrans-68.6-29.2178.7-53.90000112.7R186 W203 F341 L342 F684 C685 I686 F690 D691 M692R186-T688 PolarHBondContact NH1-OG1 2.91Å; R186-T688 PolarHBondContact NH2-OG1 3.42Å; W203-T688 HydrophobicContact CD2-CG2 4.48Å; W203-T688 HydrophobicContact CG-CG2 4.32Å; W203-T688 VanDerWaalsContact NE1-CG2 3.27Å; F341-T688 HydrophobicContact CE1-CG2 4.3Å; F341-T688 HydrophobicContact CE2-CG2 4.41Å; F341-T688 HydrophobicContact CZ-CG2 3.79Å; L342-T688 HydrophobicContact CD1-CG2 4.34Å; L342-T688 HydrophobicContact CD2-CG2 4.34Å; F684-T688 WeakPolarHBondContact O-CB 2.81Å; F684-T688 PolarHBondContact O-N 3.34Å; F684-T688 PolarHBondContact O-OG1 3.36Å; C685-T688 WeakPolarHBondContact O-CA 3.45Å; C685-T688 WeakPolarHBondContact O-CB 3.4Å; C685-T688 PolarHBondContact O-N 3.31Å; I686-T688 PolarHBondContact O-N 3.28Å; T688-F690 VanDerWaalsContact C-N 3.34Å; T688-F690 PolarHBondContact O-N 2.81Å; T688-D691 PolarHBondContact O-N 3.29Å; T688-M692 PolarHBondContact O-N 3.31Å
689I92.7Very high91.8Very high1 Ų17.9 Ų7.91%0.0054%0.036CC..Hα-helixtrans-62.7-41172.4-64.1170.8000110.8L251 I283 F341 C685 I686 H687 D691 M692 L693L251-I689 HydrophobicContact CD2-CD1 3.94Å; I283-I689 HydrophobicContact CD1-CD1 3.9Å; F341-I689 HydrophobicContact CE1-CG1 4.22Å; F341-I689 HydrophobicContact CE2-CG1 4.29Å; F341-I689 HydrophobicContact CZ-CG1 3.62Å; C685-I689 PolarHBondContact O-N 2.75Å; C685-I689 VanDerWaalsContact O-N 3.08Å; I686-I689 PolarHBondContact O-N 3.43Å; H687-I689 VanDerWaalsContact C-N 3.34Å; H687-I689 PolarHBondContact O-N 2.8Å; I689-D691 VanDerWaalsContact C-N 3.33Å; I689-M692 HydrophobicContact CG2-CE 4.49Å; I689-M692 PolarHBondContact O-N 3.41Å; I689-L693 HydrophobicContact CG2-CD1 4.21Å; I689-L693 WeakPolarHBondContact O-CG 3.22Å; I689-L693 PolarHBondContact O-N 2.93Å; I689-L693 VanDerWaalsContact O-N 3.08Å
690F90.5Very high92.2Very high20 Ų208.7 Ų8.79%0.0884%0.041CC..Hα-helixtrans-69.5-30.8174.2-72.8-80.2000113L277 R278 L664 M668 I686 H687 T688 R694L277-F690 HydrophobicContact CB-CE1 4.47Å; L277-F690 HydrophobicContact CD2-CD1 3.97Å; L277-F690 HydrophobicContact CD2-CE1 3.74Å; L277-F690 HydrophobicContact CG-CE1 3.84Å; R278-F690 HydrophobicContact CB-CZ 4.29Å; R278-F690 HydrophobicContact CG-CE1 3.86Å; R278-F690 HydrophobicContact CG-CZ 3.68Å; L664-F690 HydrophobicContact CB-CE2 3.9Å; L664-F690 HydrophobicContact CB-CZ 3.96Å; L664-F690 HydrophobicContact CD1-CE2 3.47Å; L664-F690 VanDerWaalsContact CD1-CE2 3.47Å; L664-F690 HydrophobicContact CD1-CZ 3.77Å; L664-F690 HydrophobicContact CG-CE2 4.31Å; M668-F690 HydrophobicContact CE-CD2 3.9Å; M668-F690 HydrophobicContact CE-CE2 4.31Å; M668-F690 HydrophobicContact CE-CG 4.39Å; M668-F690 HydrophobicContact CG-CE2 4.46Å; M668-F690 HydrophobicContact SD-CD2 3.37Å; M668-F690 WeakPolarHBondContact SD-CD2 3.33Å; M668-F690 HydrophobicContact SD-CE2 3.17Å; M668-F690 WeakPolarHBondContact SD-CE2 3.45Å; M668-F690 HydrophobicContact SD-CG 4.2Å; M668-F690 HydrophobicContact SD-CZ 3.87Å; I686-F690 HydrophobicContact CG2-CE2 4.44Å; I686-F690 WeakPolarHBondContact O-CD2 3.14Å; H687-F690 PolarHBondContact O-N 3.06Å; T688-F690 VanDerWaalsContact C-N 3.34Å; T688-F690 PolarHBondContact O-N 2.81Å; F690-R694 WeakPolarHBondContact O-CB 3.47Å; F690-R694 PolarHBondContact O-N 3.24Å
691D90.8Very high92.5Very high6 Ų68.6 Ų8.63%0.0324%0.041CC..Hα-helixtrans-70-37177.8-62.3-31.1000111.6R171 L173 R186 H687 T688 I689 R695R171-D691 IonicContact CZ-OD1 2.71Å; R171-D691 IonicContact CZ-OD2 2.66Å; R171-D691 VanDerWaalsContact NH1-CG 3.32Å; R171-D691 IonicContact NH1-OD1 3.19Å; R171-D691 PolarHBondContact NH1-OD1 3.25Å; R171-D691 IonicContact NH1-OD2 3.61Å; R171-D691 PolarHBondContact NH1-OD2 3.47Å; R171-D691 IonicContact NH2-OD1 2.73Å; R171-D691 PolarHBondContact NH2-OD1 3.2Å; R171-D691 IonicContact NH2-OD2 3.4Å; R171-D691 PolarHBondContact NH2-OD2 3.05Å; L173-D691 HydrophobicContact CD2-CB 4.28Å; R186-D691 IonicContact CZ-OD2 3.99Å; R186-D691 IonicContact NE-OD2 2.78Å; R186-D691 IonicContact NH2-OD2 3.76Å; R186-D691 PolarHBondContact NH2-OD2 3.33Å; H687-D691 PolarHBondContact O-N 3.19Å; H687-D691 VanDerWaalsContact O-N 3.11Å; T688-D691 PolarHBondContact O-N 3.29Å; I689-D691 VanDerWaalsContact C-N 3.33Å; D691-R695 WeakPolarHBondContact O-CB 3.48Å; D691-R695 PolarHBondContact O-N 3.08Å
692M92.3Very high92.7Very high0 Ų07.5 Ų7.50%04%0.036CC..Hα-helixtrans-62.2-55.8169.4179.1178.672.500111.8W203 F207 F213 F341 T688 I689 R694 R695 D696W203-M692 HydrophobicContact CD2-CB 4.44Å; W203-M692 HydrophobicContact CE3-CB 3.75Å; W203-M692 HydrophobicContact CE3-CG 3.69Å; W203-M692 HydrophobicContact CE3-SD 4.06Å; W203-M692 HydrophobicContact CH2-CB 4.11Å; W203-M692 HydrophobicContact CZ3-CB 3.56Å; W203-M692 HydrophobicContact CZ3-CG 3.66Å; F207-M692 HydrophobicContact CB-SD 4.47Å; F207-M692 HydrophobicContact CD2-SD 3.51Å; F207-M692 VanDerWaalsContact CD2-SD 3.51Å; F207-M692 HydrophobicContact CE2-SD 4.02Å; F207-M692 HydrophobicContact CG-SD 4.16Å; F213-M692 HydrophobicContact CB-CE 3.54Å; F213-M692 HydrophobicContact CB-CG 4.34Å; F213-M692 HydrophobicContact CB-SD 3.79Å; F213-M692 HydrophobicContact CD1-CE 3.88Å; F213-M692 HydrophobicContact CD2-CE 3.87Å; F213-M692 HydrophobicContact CD2-SD 4.48Å; F213-M692 HydrophobicContact CG-CE 3.48Å; F213-M692 VanDerWaalsContact CG-CE 3.48Å; F213-M692 HydrophobicContact CG-SD 4.25Å; F341-M692 HydrophobicContact CE2-SD 4.47Å; T688-M692 PolarHBondContact O-N 3.31Å; I689-M692 HydrophobicContact CG2-CE 4.49Å; I689-M692 PolarHBondContact O-N 3.41Å; M692-R694 PolarHBondContact O-N 2.86Å; M692-R695 WeakPolarHBondContact O-CB 3.48Å; M692-R695 PolarHBondContact O-N 3.34Å; M692-R695 VanDerWaalsContact O-N 3.08Å; M692-D696 VanDerWaalsContact O-CG 3.29Å; M692-D696 PolarHBondContact O-N 3.45Å
693L92.4Very high92.9Very high8 Ų89.4 Ų9.44%0.0424%0.043CC..Hα-helixtrans-61-32.2178.8-67.2171.9000112.6F213 L277 I281 I689 S697F213-L693 HydrophobicContact CD1-CD2 4.22Å; L277-L693 HydrophobicContact CD1-CD1 4.4Å; L277-L693 HydrophobicContact CD2-CD1 4.13Å; I281-L693 HydrophobicContact CD1-CD1 3.6Å; I689-L693 HydrophobicContact CG2-CD1 4.21Å; I689-L693 WeakPolarHBondContact O-CG 3.22Å; I689-L693 PolarHBondContact O-N 2.93Å; I689-L693 VanDerWaalsContact O-N 3.08Å; L693-S697 WeakPolarHBondContact O-CB 3.21Å; L693-S697 PolarHBondContact O-N 2.72Å; L693-S697 VanDerWaalsContact O-N 3.11Å; L693-S697 PolarHBondContact O-OG 3.28Å
694R92.6Very high93.1Very high28 Ų289.4 Ų9.411%0.1064%0.043CC..Hα-helixtrans-68.7-46172.9-173.8-179.2-175.21755.3111.6I167 L173 F690 M692 D696 S697 V698 L765I167-R694 PolarHBondContact O-NH1 3.49Å; L173-R694 HydrophobicContact CD1-CB 4.5Å; L173-R694 HydrophobicContact CD1-CG 4.24Å; F690-R694 WeakPolarHBondContact O-CB 3.47Å; F690-R694 PolarHBondContact O-N 3.24Å; M692-R694 PolarHBondContact O-N 2.86Å; R694-D696 VanDerWaalsContact C-N 3.28Å; R694-D696 PolarHBondContact O-N 3.07Å; R694-S697 WeakPolarHBondContact O-CB 3.49Å; R694-S697 PolarHBondContact O-N 2.98Å; R694-V698 HydrophobicContact CG-CG2 4.42Å; R694-V698 WeakPolarHBondContact O-CG2 3.38Å; R694-V698 PolarHBondContact O-N 2.82Å; R694-L765 HydrophobicContact CG-CD2 3.87Å
695R93.8Very high93.2Very high12 Ų129.5 Ų9.55%0.0454%0.043CC..Hα-helixtrans-54.3-48.4176.5-177.7-158.468.4173.4-0.1110.5L173 F207 L209 D691 M692 S697 V698 F699 L785L173-R695 HydrophobicContact CB-CB 4.2Å; L173-R695 HydrophobicContact CB-CG 4.37Å; L173-R695 HydrophobicContact CD1-CB 3.94Å; F207-R695 PolarHBondContact O-NH1 3.35Å; F207-R695 PolarHBondContact O-NH2 3.09Å; L209-R695 HydrophobicContact CD2-CG 3.68Å; D691-R695 WeakPolarHBondContact O-CB 3.48Å; D691-R695 PolarHBondContact O-N 3.08Å; M692-R695 WeakPolarHBondContact O-CB 3.48Å; M692-R695 PolarHBondContact O-N 3.34Å; M692-R695 VanDerWaalsContact O-N 3.08Å; R695-S697 VanDerWaalsContact C-N 3.29Å; R695-S697 PolarHBondContact O-N 2.89Å; R695-V698 PolarHBondContact O-N 3.47Å; R695-V698 VanDerWaalsContact O-N 3.14Å; R695-F699 PolarHBondContact O-N 2.95Å; R695-L785 HydrophobicContact CB-CD2 4.48Å; R695-L785 HydrophobicContact CG-CD2 3.66Å
696D93.7Very high93.2Very high15 Ų159.8 Ų9.88%0.085%0.045CC..Hα-helixtrans-67.2-34.2-176.9-59.9-7.6000111.3P212 F213 M692 R694 T700P212-D696 HydrophobicContact CB-CB 3.83Å; P212-D696 WeakPolarHBondContact CB-OD2 3.48Å; F213-D696 PolarHBondContact N-OD2 2.87Å; M692-D696 VanDerWaalsContact O-CG 3.29Å; M692-D696 PolarHBondContact O-N 3.45Å; R694-D696 VanDerWaalsContact C-N 3.28Å; R694-D696 PolarHBondContact O-N 3.07Å; D696-T700 WeakPolarHBondContact O-CB 3.33Å; D696-T700 PolarHBondContact O-N 3.4Å; D696-T700 PolarHBondContact O-OG1 3.19Å
697S94.7Very high93.2Very high3 Ų310.4 Ų10.42%0.0215%0.049CC..Hα-helixtrans-66.5-44170.6-58.30000112.5L693 R694 R695 T700 L701 A761 V764L693-S697 WeakPolarHBondContact O-CB 3.21Å; L693-S697 PolarHBondContact O-N 2.72Å; L693-S697 VanDerWaalsContact O-N 3.11Å; L693-S697 PolarHBondContact O-OG 3.28Å; R694-S697 WeakPolarHBondContact O-CB 3.49Å; R694-S697 PolarHBondContact O-N 2.98Å; R695-S697 VanDerWaalsContact C-N 3.29Å; R695-S697 PolarHBondContact O-N 2.89Å; S697-T700 PolarHBondContact O-N 3.37Å; S697-L701 PolarHBondContact O-N 2.92Å; S697-A761 WeakPolarHBondContact O-CB 3.47Å; S697-V764 WeakPolarHBondContact OG-CG1 3.39Å
698V95.2Very high93.3Very high0 Ų09 Ų90%04%0.042CC..Hα-helixtrans-64.9-42.2176.9176.60000111.1R694 R695 T700 L701 F702 L765 F781 I782 L785R694-V698 HydrophobicContact CG-CG2 4.42Å; R694-V698 WeakPolarHBondContact O-CG2 3.38Å; R694-V698 PolarHBondContact O-N 2.82Å; R695-V698 PolarHBondContact O-N 3.47Å; R695-V698 VanDerWaalsContact O-N 3.14Å; V698-T700 VanDerWaalsContact C-N 3.32Å; V698-T700 PolarHBondContact O-N 3.39Å; V698-L701 PolarHBondContact O-N 3.35Å; V698-F702 WeakPolarHBondContact O-CB 3.19Å; V698-F702 PolarHBondContact O-N 2.9Å; V698-L765 HydrophobicContact CG2-CD1 4.09Å; V698-L765 HydrophobicContact CG2-CD2 3.61Å; V698-L765 HydrophobicContact CG2-CG 4.49Å; V698-F781 HydrophobicContact CG1-CB 4.21Å; V698-F781 VanDerWaalsContact CG1-O 3.32Å; V698-F781 WeakPolarHBondContact CG1-O 3.23Å; V698-F781 HydrophobicContact CG2-CB 4.17Å; V698-I782 HydrophobicContact CG1-CG1 4.16Å; V698-L785 HydrophobicContact CB-CD2 3.94Å; V698-L785 HydrophobicContact CB-CG 4.25Å; V698-L785 HydrophobicContact CG1-CD1 3.89Å; V698-L785 HydrophobicContact CG1-CD2 3.93Å; V698-L785 HydrophobicContact CG1-CG 3.65Å
699F94.6Very high93.3Very high5 Ų59.2 Ų9.22%0.0224%0.044CC..Hα-helixtrans-66.3-35.4177.9-172.2-110.3000112L209 L210 R695 F702 R703 L785 L838 V842L209-F699 HydrophobicContact CB-CD1 4.45Å; L209-F699 HydrophobicContact CD2-CB 4.09Å; L209-F699 HydrophobicContact CD2-CD2 4.37Å; L209-F699 HydrophobicContact CD2-CG 4.16Å; L210-F699 HydrophobicContact CD2-CE1 3.64Å; L210-F699 HydrophobicContact CD2-CZ 3.64Å; R695-F699 PolarHBondContact O-N 2.95Å; F699-F702 HydrophobicContact CD2-CD1 4.09Å; F699-F702 HydrophobicContact CE2-CD1 4.04Å; F699-F702 PolarHBondContact O-N 3.42Å; F699-R703 HydrophobicContact CD1-CG 4.48Å; F699-R703 HydrophobicContact CE1-CG 4.1Å; F699-R703 HydrophobicContact CZ-CG 4.22Å; F699-R703 WeakPolarHBondContact O-CG 3.46Å; F699-R703 PolarHBondContact O-N 3.08Å; F699-L785 HydrophobicContact CB-CD1 4.19Å; F699-L785 HydrophobicContact CB-CD2 4.43Å; F699-L785 HydrophobicContact CD2-CD1 4.05Å; F699-L838 HydrophobicContact CZ-CD2 4.46Å; F699-V842 HydrophobicContact CE2-CG2 3.8Å; F699-V842 HydrophobicContact CZ-CG2 3.74Å
700T95Very high93.2Very high19 Ų1913.8 Ų13.812%0.1177%0.068CC..Hα-helixtrans-66.6-38.5172.8-60.20000112.4D696 S697 V698 R703 A704 A761D696-T700 WeakPolarHBondContact O-CB 3.33Å; D696-T700 PolarHBondContact O-N 3.4Å; D696-T700 PolarHBondContact O-OG1 3.19Å; S697-T700 PolarHBondContact O-N 3.37Å; V698-T700 VanDerWaalsContact C-N 3.32Å; V698-T700 PolarHBondContact O-N 3.39Å; T700-R703 PolarHBondContact OG1-NH2 3.42Å; T700-A704 PolarHBondContact O-N 3.12Å; T700-A761 HydrophobicContact CG2-CB 3.96Å
701L95.2Very high93.2Very high0 Ų017.6 Ų17.60%08%0.082CC..Hα-helixtrans-65-38.6170173.161.9000112.2S697 V698 A704 L705 L758 L765 F773 F781 F807S697-L701 PolarHBondContact O-N 2.92Å; V698-L701 PolarHBondContact O-N 3.35Å; L701-A704 PolarHBondContact O-N 3.25Å; L701-L705 HydrophobicContact CD1-CD1 3.99Å; L701-L705 HydrophobicContact CD1-CG 4.23Å; L701-L705 HydrophobicContact CG-CD1 3.94Å; L701-L705 WeakPolarHBondContact O-CB 3.39Å; L701-L705 WeakPolarHBondContact O-CG 3.18Å; L701-L705 PolarHBondContact O-N 3.1Å; L701-L758 HydrophobicContact CD1-CD1 4.34Å; L701-L765 HydrophobicContact CB-CD1 4.31Å; L701-L765 HydrophobicContact CD2-CD1 3.75Å; L701-F773 HydrophobicContact CD2-CD2 4.4Å; L701-F773 HydrophobicContact CD2-CE2 4.23Å; L701-F781 HydrophobicContact CD2-CD2 4.28Å; L701-F807 HydrophobicContact CD1-CD1 4.35Å; L701-F807 HydrophobicContact CD1-CE1 3.47Å; L701-F807 VanDerWaalsContact CD1-CE1 3.47Å; L701-F807 HydrophobicContact CD1-CZ 3.73Å
702F94.7Very high93.1Very high7 Ų720.3 Ų20.33%0.03111%0.112CC..Hα-helixtrans-64.1-48.5177.8176.1-123.3000111.8V698 F699 A704 L705 V706 I782 L787 I789 L797 L841V698-F702 WeakPolarHBondContact O-CB 3.19Å; V698-F702 PolarHBondContact O-N 2.9Å; F699-F702 HydrophobicContact CD2-CD1 4.09Å; F699-F702 HydrophobicContact CE2-CD1 4.04Å; F699-F702 PolarHBondContact O-N 3.42Å; F702-A704 VanDerWaalsContact C-N 3.35Å; F702-A704 PolarHBondContact O-N 3.47Å; F702-L705 PolarHBondContact O-N 3.08Å; F702-L705 VanDerWaalsContact O-N 3.14Å; F702-V706 HydrophobicContact CD2-CG2 4.34Å; F702-V706 HydrophobicContact CE2-CG2 3.94Å; F702-V706 HydrophobicContact CZ-CG2 4.13Å; F702-V706 WeakPolarHBondContact O-CG2 3.2Å; F702-V706 PolarHBondContact O-N 2.84Å; F702-I782 HydrophobicContact CB-CD1 4.45Å; F702-I782 HydrophobicContact CB-CG1 4.35Å; F702-I782 HydrophobicContact CD2-CD1 4.1Å; F702-I782 HydrophobicContact CD2-CG2 3.92Å; F702-I782 HydrophobicContact CE2-CG2 4.39Å; F702-I782 HydrophobicContact CG-CG2 4.31Å; F702-L787 HydrophobicContact CD1-CD1 4.07Å; F702-L787 HydrophobicContact CE1-CD1 3.83Å; F702-I789 HydrophobicContact CE1-CD1 4.06Å; F702-I789 HydrophobicContact CE2-CD1 4.1Å; F702-I789 HydrophobicContact CZ-CD1 3.46Å; F702-I789 VanDerWaalsContact CZ-CD1 3.46Å; F702-L797 HydrophobicContact CD2-CD2 4.2Å; F702-L797 HydrophobicContact CE2-CD2 3.69Å; F702-L841 HydrophobicContact CE1-CB 4.27Å; F702-L841 HydrophobicContact CE1-CD2 3.9Å; F702-L841 HydrophobicContact CZ-CD2 3.9Å
703R93.3Very high93Very high42 Ų4223.4 Ų23.416%0.15813%0.128CC..Hα-helixtrans-53.1-50.7172.8-70.7-173.1-66153.24.8111.4F699 T700 L705 V706 T707 S830 I832 L838F699-R703 HydrophobicContact CD1-CG 4.48Å; F699-R703 HydrophobicContact CE1-CG 4.1Å; F699-R703 HydrophobicContact CZ-CG 4.22Å; F699-R703 WeakPolarHBondContact O-CG 3.46Å; F699-R703 PolarHBondContact O-N 3.08Å; T700-R703 PolarHBondContact OG1-NH2 3.42Å; R703-L705 VanDerWaalsContact C-N 3.31Å; R703-L705 PolarHBondContact O-N 3.41Å; R703-V706 WeakPolarHBondContact O-CB 3Å; R703-V706 PolarHBondContact O-N 3.1Å; R703-V706 VanDerWaalsContact O-N 3.14Å; R703-T707 PolarHBondContact O-N 2.95Å; R703-T707 PolarHBondContact O-OG1 3.02Å; R703-S830 PolarHBondContact NH1-O 2.96Å; R703-S830 PolarHBondContact NH2-O 3.18Å; R703-I832 HydrophobicContact CB-CD1 3.82Å; R703-I832 HydrophobicContact CB-CG1 4.48Å; R703-I832 HydrophobicContact CG-CD1 3.96Å; R703-L838 VanDerWaalsContact CD-CD2 3.45Å; R703-L838 HydrophobicContact CG-CD2 4.13Å
704A94.5Very high92.7Very high0 Ų024.8 Ų24.80%014%0.138CC..Hα-helixtrans-63-32.117900000114.5T700 L701 F702 A708 L758 F829T700-A704 PolarHBondContact O-N 3.12Å; L701-A704 PolarHBondContact O-N 3.25Å; F702-A704 VanDerWaalsContact C-N 3.35Å; F702-A704 PolarHBondContact O-N 3.47Å; A704-A708 WeakPolarHBondContact O-CB 3.34Å; A704-A708 PolarHBondContact O-N 3.31Å; A704-L758 HydrophobicContact CB-CD1 3.5Å; A704-L758 HydrophobicContact CB-CD2 3.62Å; A704-L758 HydrophobicContact CB-CG 4.14Å; A704-F829 WeakPolarHBondContact CA-O 3.32Å; A704-F829 HydrophobicContact CB-CB 3.76Å
705L94.1Very high92.6Very high2 Ų223.4 Ų23.41%0.0113%0.133CC..Hα-helixtrans-69.8-36.4174.5-80162.1000112.5L701 F702 R703 A709 V778 I782 V801 F807L701-L705 HydrophobicContact CD1-CD1 3.99Å; L701-L705 HydrophobicContact CD1-CG 4.23Å; L701-L705 HydrophobicContact CG-CD1 3.94Å; L701-L705 WeakPolarHBondContact O-CB 3.39Å; L701-L705 WeakPolarHBondContact O-CG 3.18Å; L701-L705 PolarHBondContact O-N 3.1Å; F702-L705 PolarHBondContact O-N 3.08Å; F702-L705 VanDerWaalsContact O-N 3.14Å; R703-L705 VanDerWaalsContact C-N 3.31Å; R703-L705 PolarHBondContact O-N 3.41Å; L705-A709 WeakPolarHBondContact O-CB 3.47Å; L705-A709 PolarHBondContact O-N 3.13Å; L705-V778 HydrophobicContact CD1-CG1 3.61Å; L705-I782 HydrophobicContact CD1-CD1 3.68Å; L705-V801 HydrophobicContact CD2-CB 4.01Å; L705-V801 HydrophobicContact CD2-CG1 3.99Å; L705-V801 HydrophobicContact CD2-CG2 4.29Å; L705-F807 HydrophobicContact CD2-CD2 3.82Å; L705-F807 HydrophobicContact CD2-CE2 3.45Å; L705-F807 VanDerWaalsContact CD2-CE2 3.45Å; L705-F807 HydrophobicContact CD2-CZ 4.1Å; L705-F807 HydrophobicContact CG-CE2 4.24Å; L705-F807 HydrophobicContact CG-CZ 4.43Å
706V92.6Very high92.3Very high6 Ų628.4 Ų28.44%0.03616%0.155CC..Hα-helixtrans-65.3-57.7172.61730000109.7F702 R703 A708 A709 D710 L797 Y837 L841F702-V706 HydrophobicContact CD2-CG2 4.34Å; F702-V706 HydrophobicContact CE2-CG2 3.94Å; F702-V706 HydrophobicContact CZ-CG2 4.13Å; F702-V706 WeakPolarHBondContact O-CG2 3.2Å; F702-V706 PolarHBondContact O-N 2.84Å; R703-V706 WeakPolarHBondContact O-CB 3Å; R703-V706 PolarHBondContact O-N 3.1Å; R703-V706 VanDerWaalsContact O-N 3.14Å; V706-A708 PolarHBondContact O-N 3.03Å; V706-A708 VanDerWaalsContact O-N 3.13Å; V706-A709 WeakPolarHBondContact O-CA 3.39Å; V706-A709 WeakPolarHBondContact O-CB 3.24Å; V706-A709 PolarHBondContact O-N 3.29Å; V706-D710 WeakPolarHBondContact CG1-OD2 3.33Å; V706-D710 PolarHBondContact O-N 3.22Å; V706-L797 HydrophobicContact CG2-CD1 4.23Å; V706-L797 HydrophobicContact CG2-CD2 3.81Å; V706-Y837 HydrophobicContact CG1-CE1 3.96Å; V706-Y837 WeakPolarHBondContact CG1-OH 3.4Å; V706-L841 HydrophobicContact CB-CD2 4.46Å; V706-L841 HydrophobicContact CG1-CD2 4.14Å; V706-L841 HydrophobicContact CG2-CD2 3.8Å
707T92.6Very high91.7Very high14 Ų1430.6 Ų30.69%0.08617%0.169CC..Hα-helixtrans-53.3-39.2178.3-50.50000113R703 R711 F829R703-T707 PolarHBondContact O-N 2.95Å; R703-T707 PolarHBondContact O-OG1 3.02Å; T707-R711 VanDerWaalsContact CG2-NH2 3.25Å; T707-R711 WeakPolarHBondContact O-CB 3.42Å; T707-R711 WeakPolarHBondContact O-CD 3.48Å; T707-R711 VanDerWaalsContact O-CG 3.23Å; T707-R711 WeakPolarHBondContact O-CG 3.5Å; T707-R711 PolarHBondContact O-N 3.06Å; T707-F829 WeakPolarHBondContact CB-O 3.49Å; T707-F829 HydrophobicContact CG2-CB 4.44Å; T707-F829 HydrophobicContact CG2-CD1 4.08Å; T707-F829 PolarHBondContact OG1-O 3.17Å
708A92.5Very high90.5Very high0 Ų035.3 Ų35.30%019%0.187CC..Hα-helixtrans-71.8-40.1175.500000112.9A704 V706 R711 G712 I713 V801 L812 F829A704-A708 WeakPolarHBondContact O-CB 3.34Å; A704-A708 PolarHBondContact O-N 3.31Å; V706-A708 PolarHBondContact O-N 3.03Å; V706-A708 VanDerWaalsContact O-N 3.13Å; A708-R711 PolarHBondContact O-N 3.35Å; A708-G712 PolarHBondContact O-N 2.99Å; A708-G712 VanDerWaalsContact O-N 3.11Å; A708-I713 PolarHBondContact O-N 2.93Å; A708-V801 HydrophobicContact CB-CG1 4.02Å; A708-V801 HydrophobicContact CB-CG2 4.08Å; A708-L812 HydrophobicContact CB-CD1 4.05Å; A708-F829 HydrophobicContact CB-CD1 3.85Å; A708-F829 HydrophobicContact CB-CE1 3.93Å
709A92.1Very high88.7Confident6 Ų643.5 Ų43.55%0.0522%0.222CC..Hα-helixtrans-65.4-37.3179.900000113.1L705 V706 G712 L797 K800 V801L705-A709 WeakPolarHBondContact O-CB 3.47Å; L705-A709 PolarHBondContact O-N 3.13Å; V706-A709 WeakPolarHBondContact O-CA 3.39Å; V706-A709 WeakPolarHBondContact O-CB 3.24Å; V706-A709 PolarHBondContact O-N 3.29Å; A709-G712 PolarHBondContact O-N 2.94Å; A709-L797 HydrophobicContact CB-CD1 3.39Å; A709-K800 HydrophobicContact CB-CB 4.11Å; A709-K800 HydrophobicContact CB-CD 3.73Å; A709-V801 HydrophobicContact CB-CG2 3.72Å
710D90.2Very high86.4Confident96 Ų9653 Ų5351%0.51326%0.258SS..Hα-helixtrans-81.5-27.6-178-58.6-34.7000111.7V706 G712 K800 Y837V706-D710 WeakPolarHBondContact CG1-OD2 3.33Å; V706-D710 PolarHBondContact O-N 3.22Å; D710-G712 PolarHBondContact O-N 3.41Å; D710-K800 IonicContact OD1-NZ 3.94Å; D710-Y837 PolarHBondContact OD2-OH 3.14Å
711R91Very high83.8Confident100 Ų10054.6 Ų54.638%0.37727%0.27SS..THydrogen-bonded Turntrans-75.3-5.1164.3-65.8174.4-170.1171.79.1113.5T707 A708 I713 S825 S826 I828T707-R711 VanDerWaalsContact CG2-NH2 3.25Å; T707-R711 WeakPolarHBondContact O-CB 3.42Å; T707-R711 WeakPolarHBondContact O-CD 3.48Å; T707-R711 VanDerWaalsContact O-CG 3.23Å; T707-R711 WeakPolarHBondContact O-CG 3.5Å; T707-R711 PolarHBondContact O-N 3.06Å; A708-R711 PolarHBondContact O-N 3.35Å; R711-I713 VanDerWaalsContact C-N 3.26Å; R711-I713 HydrophobicContact CB-CD1 3.78Å; R711-I713 HydrophobicContact CB-CG1 3.91Å; R711-I713 PolarHBondContact O-N 3.45Å; R711-S825 PolarHBondContact NH1-O 2.92Å; R711-S825 VanDerWaalsContact NH1-O 3.07Å; R711-S825 PolarHBondContact NH2-O 2.8Å; R711-S826 PolarHBondContact NH1-O 3.02Å; R711-I828 PolarHBondContact NH1-O 3.3Å
712G88.5Confident81.1Confident64 Ų6460.7 Ų60.766%0.6630%0.298SS*.THydrogen-bonded Turntrans67.519.9-177.400000114.9A708 A709 D710A708-G712 PolarHBondContact O-N 2.99Å; A708-G712 VanDerWaalsContact O-N 3.11Å; A709-G712 PolarHBondContact O-N 2.94Å; D710-G712 PolarHBondContact O-N 3.41Å
713I89.4Confident78.7Confident65 Ų6564.9 Ų64.933%0.33333%0.326SS..  trans-88.4133.4-174.5-64.4174.9000110.4A708 R711 L812 F829A708-I713 PolarHBondContact O-N 2.93Å; R711-I713 VanDerWaalsContact C-N 3.26Å; R711-I713 HydrophobicContact CB-CD1 3.78Å; R711-I713 HydrophobicContact CB-CG1 3.91Å; R711-I713 PolarHBondContact O-N 3.45Å; I713-L812 HydrophobicContact CG2-CD2 3.66Å; I713-F829 HydrophobicContact CD1-CE1 3.87Å; I713-F829 HydrophobicContact CD1-CZ 3.84Å; I713-F829 HydrophobicContact CG2-CZ 4.37Å
714C87.6Confident76.6Confident36 Ų3665.5 Ų65.524%0.24333%0.333CS..  trans-113.1128.4-177.4176.60000111.1K716 V801 L802C714-K716 HydrophobicContact CB-CG 4.41Å; C714-K716 PolarHBondContact O-N 3.18Å; C714-V801 CarbonylContact C-O 3.58Å; C714-V801 WeakPolarHBondContact CA-O 3.12Å; C714-V801 PolarHBondContact SG-O 3.46Å; C714-V801 VanDerWaalsContact SG-O 3.36Å; C714-L802 PolarHBondContact SG-O 2.84Å; C714-L802 VanDerWaalsContact SG-O 3.41Å
715A89.5Confident74.5Confident0 Ų073.6 Ų73.60%037%0.365CS..BIsolated β-bridgetrans-77.863.7-171.500000113.1V801 F807 H808 S811 L812A715-V801 HydrophobicContact CB-CG1 3.98Å; A715-V801 PolarHBondContact N-O 3.09Å; A715-F807 HydrophobicContact CB-CD2 3.5Å; A715-F807 VanDerWaalsContact CB-CD2 3.5Å; A715-F807 HydrophobicContact CB-CE2 3.7Å; A715-F807 HydrophobicContact CB-CG 4.29Å; A715-H808 WeakPolarHBondContact O-CB 3.48Å; A715-H808 PolarHBondContact O-N 3.36Å; A715-H808 VanDerWaalsContact O-N 3.13Å; A715-H808 PolarHBondContact O-ND1 3Å; A715-S811 VanDerWaalsContact C-OG 3.23Å; A715-S811 WeakPolarHBondContact CA-OG 3.1Å; A715-L812 HydrophobicContact CB-CD1 4.3Å; A715-L812 HydrophobicContact CB-CG 4.3Å
716K86.7Confident72.7Confident117 Ų11778.3 Ų78.351%0.50939%0.393SS..PPolyproline II helixtrans-73.1149.4-173.7-73.2173.8176.4169.90112.7C714 R718 D803 S811C714-K716 HydrophobicContact CB-CG 4.41Å; C714-K716 PolarHBondContact O-N 3.18Å; K716-R718 PolarHBondContact O-N 3.14Å; K716-D803 HydrophobicContact CB-CB 4.36Å; K716-D803 HydrophobicContact CG-CB 3.78Å; K716-S811 WeakPolarHBondContact O-CB 3.48Å; K716-S811 PolarHBondContact O-OG 2.98Å
717P82.3Confident71.2Confident60 Ų6080 Ų8039%0.3941%0.407SS..PPolyproline II helixtrans-64.9130.4167.728.8-30.3000108.5K719 D803 H808P717-K719 PolarHBondContact O-N 2.96Å; P717-K719 VanDerWaalsContact O-N 3.15Å; P717-D803 WeakPolarHBondContact CD-OD2 3.34Å; P717-H808 WeakPolarHBondContact CD-ND1 3.33Å
718R68.8Low69.5Low102 Ų10286.4 Ų86.439%0.38543%0.434SS..PPolyproline II helixtrans-57.4122.9172.1-91.2-169163.790.50.6109.1K716 R720 R810 D814 E816K716-R718 PolarHBondContact O-N 3.14Å; R718-R720 PolarHBondContact O-N 3.27Å; R718-R810 PolarHBondContact NH1-O 3.39Å; R718-D814 VanDerWaalsContact CZ-O 3.29Å; R718-D814 PolarHBondContact NH1-O 3.25Å; R718-D814 PolarHBondContact NH2-O 2.98Å; R718-E816 IonicContact CZ-OE1 3.66Å; R718-E816 IonicContact NE-OE1 3.6Å; R718-E816 PolarHBondContact NE-OE1 3.37Å; R718-E816 IonicContact NH2-OE1 3.7Å; R718-E816 PolarHBondContact NH2-OE1 3.41Å
719K56.9Low67.9Low173 Ų17393 Ų9375%0.75246%0.459SS*.  trans-67.297.5170.2-72.7-164.3172.3-146.60108.9P717 E722P717-K719 PolarHBondContact O-N 2.96Å; P717-K719 VanDerWaalsContact O-N 3.15Å; K719-E722 IonicContact NZ-OE2 3.74Å; K719-E722 PolarHBondContact NZ-OE2 2.67Å
720R46.3Very low66.6Low205 Ų20594.6 Ų94.677%0.77447%0.472SS*.  trans-51.2141149.6-83.4-176.3159.3159.1-2.2107.8R718 E722R718-R720 PolarHBondContact O-N 3.27Å; R720-E722 PolarHBondContact O-N 3Å
721S40.4Very low65.3Low52 Ų5299.2 Ų99.236%0.36448%0.482SS..  trans-58.497.9-17147.20000112P723 D724S721-P723 VanDerWaalsContact C-CD 3.41Å; S721-P723 VanDerWaalsContact C-N 3.33Å; S721-D724 WeakPolarHBondContact CB-OD2 3.46Å; S721-D724 PolarHBondContact O-N 3.47Å; S721-D724 PolarHBondContact OG-OD2 2.87Å
722E38.4Very low64Low127 Ų127100.9 Ų100.959%0.59350%0.498SS*.Hα-helixtrans-52.9-37.1178.4-159.6160.7-156.600114K719 R720 D724K719-E722 IonicContact NZ-OE2 3.74Å; K719-E722 PolarHBondContact NZ-OE2 2.67Å; R720-E722 PolarHBondContact O-N 3Å; E722-D724 VanDerWaalsContact C-N 3.28Å; E722-D724 PolarHBondContact O-N 3.15Å
723P45.5Very low62.8Low95 Ų95104.2 Ų104.262%0.61750%0.497SS*.Hα-helixtrans-58.3-34170.220.7-34.3000114.2S721 A727S721-P723 VanDerWaalsContact C-CD 3.41Å; S721-P723 VanDerWaalsContact C-N 3.33Å; P723-A727 WeakPolarHBondContact O-CB 3.42Å; P723-A727 PolarHBondContact O-N 3.36Å
724D49.6Very low61.6Low55 Ų55109.2 Ų109.229%0.29451%0.511SS..Hα-helixtrans-76.2-37.3-171.6-72.9-62.2000113.6S721 E722 V726 A727 K728 F746S721-D724 WeakPolarHBondContact CB-OD2 3.46Å; S721-D724 PolarHBondContact O-N 3.47Å; S721-D724 PolarHBondContact OG-OD2 2.87Å; E722-D724 VanDerWaalsContact C-N 3.28Å; E722-D724 PolarHBondContact O-N 3.15Å; D724-V726 VanDerWaalsContact C-N 3.33Å; D724-V726 PolarHBondContact O-N 3.04Å; D724-A727 PolarHBondContact O-N 3Å; D724-K728 WeakPolarHBondContact O-CA 3.48Å; D724-K728 WeakPolarHBondContact O-CB 3.37Å; D724-K728 PolarHBondContact O-N 2.92Å; D724-F746 WeakPolarHBondContact OD2-CZ 3.48Å
725Y49.5Very low59.8Low171 Ų171113.7 Ų113.767%0.67153%0.533SS*.Hα-helixtrans-66.2-39.5178.3-169.2-99.4000111.4R729Y725-R729 WeakPolarHBondContact O-CB 3.45Å; Y725-R729 PolarHBondContact O-N 3.21Å
726V56.5Low57.9Low100 Ų100120 Ų12061%0.60656%0.563SS**Hα-helixtrans-70.4-44.2176.3-175.90000110.9D724 R729 A730D724-V726 VanDerWaalsContact C-N 3.33Å; D724-V726 PolarHBondContact O-N 3.04Å; V726-R729 PolarHBondContact O-N 3.28Å; V726-A730 VanDerWaalsContact O-CB 3.29Å; V726-A730 WeakPolarHBondContact O-CB 3.4Å; V726-A730 PolarHBondContact O-N 3.48Å
727A60Low55.9Low41 Ų41125.8 Ų125.834%0.33958%0.581SS.*Hα-helixtrans-66.1-40.3177.600000112.9P723 D724 A730 R731P723-A727 WeakPolarHBondContact O-CB 3.42Å; P723-A727 PolarHBondContact O-N 3.36Å; D724-A727 PolarHBondContact O-N 3Å; A727-A730 PolarHBondContact O-N 3.04Å; A727-R731 WeakPolarHBondContact O-CB 3.42Å; A727-R731 WeakPolarHBondContact O-CG 3.29Å; A727-R731 PolarHBondContact O-N 3.24Å
728K58.6Low54Low150 Ų150127.8 Ų127.865%0.65259%0.592SS**Hα-helixtrans-68.8-37.9178.1-164.7163.5-170.4163.70111.2D724 R731 L732D724-K728 WeakPolarHBondContact O-CA 3.48Å; D724-K728 WeakPolarHBondContact O-CB 3.37Å; D724-K728 PolarHBondContact O-N 2.92Å; K728-R731 PolarHBondContact O-N 3.11Å; K728-L732 WeakPolarHBondContact O-CB 3.19Å; K728-L732 VanDerWaalsContact O-CG 3.31Å; K728-L732 WeakPolarHBondContact O-CG 3.12Å; K728-L732 PolarHBondContact O-N 3.47Å
729R58.5Low52.6Low139 Ų139127.1 Ų127.153%0.52560%0.603SS.*Hα-helixtrans-64.8-46.4170.2-174.5171.9-177154.73.3112.2Y725 V726 R731 L732 E733Y725-R729 WeakPolarHBondContact O-CB 3.45Å; Y725-R729 PolarHBondContact O-N 3.21Å; V726-R729 PolarHBondContact O-N 3.28Å; R729-R731 VanDerWaalsContact C-N 3.3Å; R729-R731 PolarHBondContact O-N 3.14Å; R729-L732 PolarHBondContact O-N 3.43Å; R729-L732 VanDerWaalsContact O-N 3.17Å; R729-E733 HydrophobicContact CG-CG 4.45Å; R729-E733 WeakPolarHBondContact CG-OE1 3.49Å; R729-E733 IonicContact CZ-OE1 3.97Å; R729-E733 IonicContact NE-OE1 3.88Å; R729-E733 PolarHBondContact NE-OE1 2.86Å; R729-E733 IonicContact NH2-OE1 2.74Å; R729-E733 WeakPolarHBondContact O-CG 3.11Å; R729-E733 PolarHBondContact O-N 3.38Å
730A64.5Low51.8Low39 Ų39126.3 Ų126.332%0.32261%0.613SS.*Hα-helixtrans-65.2-29.6177.400000113.4V726 A727 R734V726-A730 VanDerWaalsContact O-CB 3.29Å; V726-A730 WeakPolarHBondContact O-CB 3.4Å; V726-A730 PolarHBondContact O-N 3.48Å; A727-A730 PolarHBondContact O-N 3.04Å; A730-R734 WeakPolarHBondContact O-CB 3.42Å; A730-R734 PolarHBondContact O-N 3.37Å
731R63.8Low51.6Low192 Ų192120.5 Ų120.573%0.72561%0.608SS**Hα-helixtrans-70.4-44.1169.9-77.4175.8176169.10.9111.7A727 K728 R729 R734A727-R731 WeakPolarHBondContact O-CB 3.42Å; A727-R731 WeakPolarHBondContact O-CG 3.29Å; A727-R731 PolarHBondContact O-N 3.24Å; K728-R731 PolarHBondContact O-N 3.11Å; R729-R731 VanDerWaalsContact C-N 3.3Å; R729-R731 PolarHBondContact O-N 3.14Å; R731-R734 PolarHBondContact O-N 2.91Å
732L63Low51.7Low135 Ų135126.8 Ų126.871%0.70763%0.629SS**Hα-helixtrans-63.5-41.9176.7-75.7165.4000112.5K728 R729 R734 N735K728-L732 WeakPolarHBondContact O-CB 3.19Å; K728-L732 VanDerWaalsContact O-CG 3.31Å; K728-L732 WeakPolarHBondContact O-CG 3.12Å; K728-L732 PolarHBondContact O-N 3.47Å; R729-L732 PolarHBondContact O-N 3.43Å; R729-L732 VanDerWaalsContact O-N 3.17Å; L732-R734 PolarHBondContact O-N 3.12Å; L732-N735 PolarHBondContact O-N 2.85Å
733E62.8Low51.9Low135 Ų135128.2 Ų128.263%0.63164%0.64SS**Hα-helixtrans-69.8-18.4178.1-71.6174.5-169.100113R729R729-E733 HydrophobicContact CG-CG 4.45Å; R729-E733 WeakPolarHBondContact CG-OE1 3.49Å; R729-E733 IonicContact CZ-OE1 3.97Å; R729-E733 IonicContact NE-OE1 3.88Å; R729-E733 PolarHBondContact NE-OE1 2.86Å; R729-E733 IonicContact NH2-OE1 2.74Å; R729-E733 WeakPolarHBondContact O-CG 3.11Å; R729-E733 PolarHBondContact O-N 3.38Å
734R64.9Low51.8Low169 Ų169131.1 Ų131.164%0.63865%0.646SS**Hα-helixtrans-87.6-14.9177.9-162.3169.5-68.8149.10.4114.4A730 R731 L732 E736A730-R734 WeakPolarHBondContact O-CB 3.42Å; A730-R734 PolarHBondContact O-N 3.37Å; R731-R734 PolarHBondContact O-N 2.91Å; L732-R734 PolarHBondContact O-N 3.12Å; R734-E736 VanDerWaalsContact CD-OE2 3.29Å; R734-E736 WeakPolarHBondContact CD-OE2 3.34Å; R734-E736 HydrophobicContact CG-CG 4.4Å; R734-E736 PolarHBondContact O-N 2.97Å
735N49.3Very low51.6Low130 Ų130136.2 Ų136.270%0.69567%0.668SS**  trans55.323.1169.4-156.316.9000116.3L732 R737L732-N735 PolarHBondContact O-N 2.85Å; N735-R737 PolarHBondContact O-N 3.3Å
736E48.8Very low51.5Low134 Ų134135.1 Ų135.163%0.62667%0.667SS**  trans-79.4103.7179.3-81.4179.5114.100112R734 T738R734-E736 VanDerWaalsContact CD-OE2 3.29Å; R734-E736 WeakPolarHBondContact CD-OE2 3.34Å; R734-E736 HydrophobicContact CG-CG 4.4Å; R734-E736 PolarHBondContact O-N 2.97Å; E736-T738 PolarHBondContact O-N 2.88Å
737R45.2Very low51.1Low237 Ų237138.8 Ų138.889%0.89468%0.675SS**  trans-79.262.2173.6-66.7-177.8176.1179.7-2.8112.2N735N735-R737 PolarHBondContact O-N 3.3Å
738T42.8Very low51.2Low103 Ų103143.7 Ų143.763%0.63269%0.691SS**  trans-107.791.8-179.652.30000113.1E736E736-T738 PolarHBondContact O-N 2.88Å
739S40.4Very low51.9Low88 Ų88140.4 Ų140.462%0.61568%0.683SS**  trans37.3104.4147.563.50000119A741S739-A741 VanDerWaalsContact C-N 3.33Å; S739-A741 PolarHBondContact O-N 3.1Å
740V40Very low53Low156 Ų156137.6 Ų137.695%0.94568%0.683SS**  trans23.463.5138.9-163.40000115.4
741A41.8Very low54.1Low82 Ų82138.3 Ų138.368%0.67868%0.681SS**  trans-79.7149.4146.900000106.5S739 D743S739-A741 VanDerWaalsContact C-N 3.33Å; S739-A741 PolarHBondContact O-N 3.1Å; A741-D743 PolarHBondContact O-N 3.44Å; A741-D743 VanDerWaalsContact O-N 3.1Å
742K42.1Very low55.4Low185 Ų185132.9 Ų132.980%0.80466%0.661SS**  trans-59120.3176-68-176.7175.4-170.90108.9E744K742-E744 VanDerWaalsContact C-N 3.34Å; K742-E744 PolarHBondContact O-N 3.08Å
743D41.8Very low56.8Low156 Ų156126.7 Ų126.783%0.83463%0.629SS**  trans-64.2103.8153.8-71.7-58.8000106A741 E745A741-D743 PolarHBondContact O-N 3.44Å; A741-D743 VanDerWaalsContact O-N 3.1Å; D743-E745 PolarHBondContact O-N 3.46Å
744E44.5Very low58.1Low157 Ų157120.7 Ų120.773%0.73460%0.602SS**  trans-61.399.4156.2-74.3-62.8149.600105.3K742 F746K742-E744 VanDerWaalsContact C-N 3.34Å; K742-E744 PolarHBondContact O-N 3.08Å; E744-F746 PolarHBondContact O-N 3.14Å
745E44.7Very low59.5Low161 Ų161112.7 Ų112.775%0.75257%0.571SS**  trans-56.2110.9-178.6-176.9173.3-129.800107.8D743 K747D743-E745 PolarHBondContact O-N 3.46Å; E745-K747 PolarHBondContact O-N 3.32Å
746F47.1Very low61.6Low148 Ų148107.9 Ų107.965%0.64955%0.546SS*.  trans-70.383.5-170-150.4-76.2000108.5D724 E744 E748D724-F746 WeakPolarHBondContact OD2-CZ 3.48Å; E744-F746 PolarHBondContact O-N 3.14Å; F746-E748 PolarHBondContact O-N 2.97Å
747K48.9Very low63.7Low177 Ų177103.7 Ų103.777%0.7753%0.53SS*.  trans-59.8100.8-179.2-77-176.2174.91800108.5E745 T749E745-K747 PolarHBondContact O-N 3.32Å; K747-T749 PolarHBondContact O-N 3.48Å
748E62Low66.1Low144 Ų14492.4 Ų92.467%0.67349%0.488SS*.PPolyproline II helixtrans-50.3128.5164.5-69.3-171.1135.300106.9F746F746-E748 PolarHBondContact O-N 2.97Å
749T73.7Confident68.6Low81 Ų8187.5 Ų87.550%0.49746%0.458SS..PPolyproline II helixtrans-57.3130-177.635.80000108.8K747 L751K747-T749 PolarHBondContact O-N 3.48Å; T749-L751 PolarHBondContact O-N 3.41Å
750P81.6Confident71.2Confident81 Ų8183.9 Ų83.953%0.52643%0.431SS..PPolyproline II helixtrans-62.9126.9-175.625.5-33.4000109.2Y752P750-Y752 HydrophobicContact CB-CE2 4.09Å; P750-Y752 HydrophobicContact CG-CE2 4.24Å; P750-Y752 WeakPolarHBondContact O-CE2 3.45Å
751L87.5Confident73.8Confident53 Ų5376.5 Ų76.528%0.27739%0.386SS..  trans-105.6131.1-176.3-75153.4000109.6A267 E268 T749 S815 E816A267-L751 CarbonylContact C-O 3.56Å; A267-L751 HydrophobicContact CB-CB 3.71Å; A267-L751 WeakPolarHBondContact CB-O 3.38Å; E268-L751 PolarHBondContact N-O 3.04Å; T749-L751 PolarHBondContact O-N 3.41Å; L751-S815 CarbonylContact C-O 3.21Å; L751-S815 WeakPolarHBondContact CA-O 3.4Å; L751-E816 HydrophobicContact CD2-CG 3.68Å; L751-E816 HydrophobicContact CG-CG 4.44Å
752Y90Very high76.4Confident78 Ų7872.6 Ų72.631%0.30635%0.354SS..EExtended strand (participates in β ladder)trans-111133.1-178.9-59.4-83.9000109.5E268 P750 T754 D814 S815 P818E268-Y752 HydrophobicContact CG-CD1 3.63Å; E268-Y752 HydrophobicContact CG-CE1 4.24Å; E268-Y752 HydrophobicContact CG-CG 4.39Å; E268-Y752 WeakPolarHBondContact OE1-CA 3.39Å; P750-Y752 HydrophobicContact CB-CE2 4.09Å; P750-Y752 HydrophobicContact CG-CE2 4.24Å; P750-Y752 WeakPolarHBondContact O-CE2 3.45Å; Y752-T754 PolarHBondContact O-N 2.94Å; Y752-D814 CarbonylContact O-C 3.57Å; Y752-D814 VanDerWaalsContact O-CA 3.31Å; Y752-D814 WeakPolarHBondContact O-CA 3.42Å; Y752-S815 PolarHBondContact N-O 2.82Å; Y752-S815 PolarHBondContact O-N 2.96Å; Y752-P818 HydrophobicContact CD1-CB 4.12Å; Y752-P818 HydrophobicContact CD2-CB 4.2Å; Y752-P818 HydrophobicContact CE1-CB 4.44Å; Y752-P818 HydrophobicContact CG-CB 4Å
753T92.6Very high78.8Confident5 Ų564.1 Ų64.13%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-81119172.2-73.40000108.3R266 A267 E268 L756 L759 T813 D814R266-T753 WeakPolarHBondContact CA-OG1 3.26Å; R266-T753 PolarHBondContact NH2-O 3.01Å; A267-T753 PolarHBondContact N-OG1 3.41Å; E268-T753 PolarHBondContact OE1-N 3.23Å; T753-L756 HydrophobicContact CG2-CB 4.46Å; T753-L756 HydrophobicContact CG2-CD1 4.35Å; T753-L759 HydrophobicContact CG2-CB 4.46Å; T753-L759 HydrophobicContact CG2-CD2 3.6Å; T753-T813 CarbonylContact C-O 3.5Å; T753-T813 WeakPolarHBondContact CA-O 3.29Å; T753-D814 PolarHBondContact OG1-OD1 3.3Å
754T91Very high81.2Confident10 Ų1058.1 Ų58.16%0.06129%0.286CS..  trans-100.4-61-174.757.10000110.3Y752 L756 T813 S815 L819 V827Y752-T754 PolarHBondContact O-N 2.94Å; T754-L756 VanDerWaalsContact C-N 3.35Å; T754-L756 PolarHBondContact O-N 2.88Å; T754-T813 PolarHBondContact N-O 2.9Å; T754-T813 PolarHBondContact OG1-O 3.34Å; T754-S815 VanDerWaalsContact CG2-CB 3.44Å; T754-L819 HydrophobicContact CG2-CD2 4.22Å; T754-L819 HydrophobicContact CG2-CG 3.79Å; T754-L819 WeakPolarHBondContact O-CD1 3.13Å; T754-V827 HydrophobicContact CG2-CG1 3.8Å; T754-V827 WeakPolarHBondContact OG1-CG1 3.47Å
755D93.1Very high83.5Confident0 Ų051 Ų510%025%0.253CS..  trans-84.776.3176.9-160.8-32.3000111.1P757 L758 L759 T813 I828 F829 S830D755-P757 WeakPolarHBondContact OD1-CD 3.43Å; D755-L758 HydrophobicContact CB-CB 4.01Å; D755-L758 PolarHBondContact O-N 2.95Å; D755-L758 WeakPolarHBondContact OD1-CB 3.38Å; D755-L758 PolarHBondContact OD1-N 3.11Å; D755-L759 WeakPolarHBondContact O-CB 3.42Å; D755-L759 PolarHBondContact O-N 3.33Å; D755-T813 PolarHBondContact N-O 2.95Å; D755-I828 WeakPolarHBondContact OD2-CG2 3.43Å; D755-F829 PolarHBondContact OD2-N 2.74Å; D755-S830 PolarHBondContact OD1-OG 3.37Å; D755-S830 PolarHBondContact OD2-N 3.1Å; D755-S830 PolarHBondContact OD2-OG 3.13Å
756L93.4Very high85.7Confident30 Ų3043.3 Ų43.316%0.15722%0.217CC..Hα-helixtrans-61.9-40.6176.4-177.563.5000113.2M260 V264 T753 T754 L759 F760M260-L756 HydrophobicContact CB-CD2 4.37Å; M260-L756 HydrophobicContact CB-CG 4.29Å; V264-L756 HydrophobicContact CB-CD1 4.06Å; V264-L756 HydrophobicContact CG1-CD1 3.82Å; V264-L756 HydrophobicContact CG2-CD1 4.11Å; T753-L756 HydrophobicContact CG2-CB 4.46Å; T753-L756 HydrophobicContact CG2-CD1 4.35Å; T754-L756 VanDerWaalsContact C-N 3.35Å; T754-L756 PolarHBondContact O-N 2.88Å; L756-L759 PolarHBondContact O-N 2.88Å; L756-F760 WeakPolarHBondContact O-CB 3.39Å; L756-F760 PolarHBondContact O-N 3.08Å
757P94.2Very high87.5Confident46 Ų4640.5 Ų40.530%0.29921%0.212SC..Hα-helixtrans-61.7-42.1174.8-23.534.7000113.2M260 D755 F760 A761M260-P757 HydrophobicContact CE-CB 4.17Å; D755-P757 WeakPolarHBondContact OD1-CD 3.43Å; P757-F760 PolarHBondContact O-N 2.98Å; P757-A761 WeakPolarHBondContact O-CB 3.43Å; P757-A761 PolarHBondContact O-N 2.96Å
758L95.3Very high89.3Confident0 Ų034.7 Ų34.70%019%0.194CC..Hα-helixtrans-66.3-39.2174.2-178.359.4000111.9L701 A704 D755 F760 A761 C762 L812 T813 F829L701-L758 HydrophobicContact CD1-CD1 4.34Å; A704-L758 HydrophobicContact CB-CD1 3.5Å; A704-L758 HydrophobicContact CB-CD2 3.62Å; A704-L758 HydrophobicContact CB-CG 4.14Å; D755-L758 HydrophobicContact CB-CB 4.01Å; D755-L758 PolarHBondContact O-N 2.95Å; D755-L758 WeakPolarHBondContact OD1-CB 3.38Å; D755-L758 PolarHBondContact OD1-N 3.11Å; L758-F760 VanDerWaalsContact C-N 3.34Å; L758-A761 PolarHBondContact O-N 3.44Å; L758-C762 VanDerWaalsContact O-CB 3.3Å; L758-C762 WeakPolarHBondContact O-CB 3.48Å; L758-C762 PolarHBondContact O-N 3.17Å; L758-C762 PolarHBondContact O-SG 2.7Å; L758-L812 HydrophobicContact CD2-CB 4.09Å; L758-T813 HydrophobicContact CB-CG2 4.01Å; L758-T813 HydrophobicContact CD2-CG2 3.92Å; L758-T813 HydrophobicContact CG-CG2 3.79Å; L758-F829 HydrophobicContact CD2-CB 4.31Å
759L95.3Very high90.3Very high0 Ų033.9 Ų33.90%019%0.186CC..Hα-helixtrans-67.9-35176.8-170.351.3000112.2V264 T753 D755 L756 T763 Y809 T813V264-L759 HydrophobicContact CG1-CB 4.37Å; V264-L759 HydrophobicContact CG1-CD2 3.43Å; V264-L759 VanDerWaalsContact CG1-CD2 3.43Å; V264-L759 HydrophobicContact CG1-CG 3.65Å; V264-L759 HydrophobicContact CG2-CG 4.3Å; T753-L759 HydrophobicContact CG2-CB 4.46Å; T753-L759 HydrophobicContact CG2-CD2 3.6Å; D755-L759 WeakPolarHBondContact O-CB 3.42Å; D755-L759 PolarHBondContact O-N 3.33Å; L756-L759 PolarHBondContact O-N 2.88Å; L759-T763 HydrophobicContact CD1-CG2 4.22Å; L759-T763 WeakPolarHBondContact O-CB 3.02Å; L759-T763 VanDerWaalsContact O-CG2 3.31Å; L759-T763 WeakPolarHBondContact O-CG2 3.47Å; L759-T763 PolarHBondContact O-N 2.74Å; L759-T763 PolarHBondContact O-OG1 3.26Å; L759-Y809 HydrophobicContact CD1-CD2 3.74Å; L759-Y809 HydrophobicContact CD1-CE2 3.45Å; L759-Y809 VanDerWaalsContact CD1-CE2 3.45Å; L759-T813 HydrophobicContact CB-CG2 3.75Å; L759-T813 HydrophobicContact CD1-CG2 4.24Å; L759-T813 HydrophobicContact CG-CG2 4.5Å
760F94.9Very high91Very high12 Ų1233.3 Ų33.35%0.05318%0.176CC..Hα-helixtrans-62.7-52.4169.4173.9-105.8000111.2M256 M260 I263 V264 L756 P757 L758 C762 T763 V764M256-F760 HydrophobicContact SD-CE1 4.35Å; M256-F760 HydrophobicContact SD-CZ 4.46Å; M260-F760 HydrophobicContact CB-CB 4.24Å; M260-F760 HydrophobicContact CB-CD2 4.25Å; M260-F760 HydrophobicContact CB-CG 4.31Å; M260-F760 HydrophobicContact CE-CB 4.4Å; M260-F760 HydrophobicContact CE-CD1 3.9Å; M260-F760 HydrophobicContact CE-CG 4.31Å; M260-F760 HydrophobicContact CG-CB 3.78Å; M260-F760 HydrophobicContact CG-CD1 4.03Å; M260-F760 HydrophobicContact CG-CD2 3.88Å; M260-F760 HydrophobicContact CG-CE2 4.47Å; M260-F760 HydrophobicContact CG-CG 3.62Å; M260-F760 HydrophobicContact SD-CB 4.4Å; I263-F760 HydrophobicContact CB-CD2 4.46Å; I263-F760 HydrophobicContact CB-CE2 4.4Å; I263-F760 HydrophobicContact CD1-CE2 3.88Å; I263-F760 HydrophobicContact CG2-CD2 4.35Å; I263-F760 HydrophobicContact CG2-CE2 4.33Å; V264-F760 HydrophobicContact CG2-CB 3.99Å; L756-F760 WeakPolarHBondContact O-CB 3.39Å; L756-F760 PolarHBondContact O-N 3.08Å; P757-F760 PolarHBondContact O-N 2.98Å; L758-F760 VanDerWaalsContact C-N 3.34Å; F760-C762 VanDerWaalsContact C-N 3.35Å; F760-C762 PolarHBondContact O-N 3.07Å; F760-T763 PolarHBondContact O-N 3.4Å; F760-T763 PolarHBondContact O-OG1 3.42Å; F760-V764 HydrophobicContact CD1-CG2 4.43Å; F760-V764 HydrophobicContact CD2-CG2 4.13Å; F760-V764 HydrophobicContact CE1-CG2 4.06Å; F760-V764 HydrophobicContact CE2-CG2 3.74Å; F760-V764 HydrophobicContact CG-CG2 4.48Å; F760-V764 HydrophobicContact CZ-CG2 3.7Å; F760-V764 WeakPolarHBondContact O-CG2 3.29Å; F760-V764 PolarHBondContact O-N 2.97Å
761A95.5Very high91.4Very high1 Ų131.7 Ų31.71%0.00817%0.167CC..Hα-helixtrans-56.2-47.1178.300000112.3S697 T700 P757 L758 V764 L765S697-A761 WeakPolarHBondContact O-CB 3.47Å; T700-A761 HydrophobicContact CG2-CB 3.96Å; P757-A761 WeakPolarHBondContact O-CB 3.43Å; P757-A761 PolarHBondContact O-N 2.96Å; L758-A761 PolarHBondContact O-N 3.44Å; A761-V764 PolarHBondContact O-N 3.11Å; A761-L765 WeakPolarHBondContact O-CG 3.41Å; A761-L765 PolarHBondContact O-N 3.33Å; A761-L765 VanDerWaalsContact O-N 3.08Å
762C95.3Very high91.6Very high0 Ų032.2 Ų32.20%017%0.166CC..Hα-helixtrans-67.3-37.1178.5-67.40000112.4L758 F760 L765 D766 F773 Y809L758-C762 VanDerWaalsContact O-CB 3.3Å; L758-C762 WeakPolarHBondContact O-CB 3.48Å; L758-C762 PolarHBondContact O-N 3.17Å; L758-C762 PolarHBondContact O-SG 2.7Å; F760-C762 VanDerWaalsContact C-N 3.35Å; F760-C762 PolarHBondContact O-N 3.07Å; C762-L765 PolarHBondContact O-N 2.92Å; C762-D766 WeakPolarHBondContact O-CB 3.5Å; C762-D766 PolarHBondContact O-N 3.3Å; C762-F773 HydrophobicContact CB-CE2 4.31Å; C762-F773 HydrophobicContact CB-CZ 4.5Å; C762-F773 WeakPolarHBondContact O-CZ 3.06Å; C762-Y809 HydrophobicContact CB-CD1 3.69Å; C762-Y809 HydrophobicContact CB-CD2 3.7Å; C762-Y809 HydrophobicContact CB-CE1 4Å; C762-Y809 HydrophobicContact CB-CE2 4.04Å; C762-Y809 HydrophobicContact CB-CG 3.51Å
763T93.2Very high91.9Very high6 Ų628.7 Ų28.74%0.03715%0.152CC..Hα-helixtrans-70.2-38.9174.551.60000112R274 L759 F760 L765 D766R274-T763 PolarHBondContact NH1-O 2.85Å; R274-T763 PolarHBondContact NH2-O 3.35Å; L759-T763 HydrophobicContact CD1-CG2 4.22Å; L759-T763 WeakPolarHBondContact O-CB 3.02Å; L759-T763 VanDerWaalsContact O-CG2 3.31Å; L759-T763 WeakPolarHBondContact O-CG2 3.47Å; L759-T763 PolarHBondContact O-N 2.74Å; L759-T763 PolarHBondContact O-OG1 3.26Å; F760-T763 PolarHBondContact O-N 3.4Å; F760-T763 PolarHBondContact O-OG1 3.42Å; T763-L765 PolarHBondContact O-N 2.83Å; T763-D766 PolarHBondContact O-N 3.45Å
764V92Very high91.9Very high30 Ų3031.7 Ų31.718%0.18217%0.168CC..Hα-helixtrans-58.3-38.4173.6170.40000111.5L277 S697 F760 A761L277-V764 HydrophobicContact CD2-CG2 4.38Å; S697-V764 WeakPolarHBondContact OG-CG1 3.39Å; F760-V764 HydrophobicContact CD1-CG2 4.43Å; F760-V764 HydrophobicContact CD2-CG2 4.13Å; F760-V764 HydrophobicContact CE1-CG2 4.06Å; F760-V764 HydrophobicContact CE2-CG2 3.74Å; F760-V764 HydrophobicContact CG-CG2 4.48Å; F760-V764 HydrophobicContact CZ-CG2 3.7Å; F760-V764 WeakPolarHBondContact O-CG2 3.29Å; F760-V764 PolarHBondContact O-N 2.97Å; A761-V764 PolarHBondContact O-N 3.11Å
765L92.7Very high92Very high7 Ų732 Ų324%0.03717%0.17CC..Hα-helixtrans-77.9-36.1176.8-66.2170.5000113.6R694 V698 L701 A761 C762 T763 T767 F773 F781R694-L765 HydrophobicContact CG-CD2 3.87Å; V698-L765 HydrophobicContact CG2-CD1 4.09Å; V698-L765 HydrophobicContact CG2-CD2 3.61Å; V698-L765 HydrophobicContact CG2-CG 4.49Å; L701-L765 HydrophobicContact CB-CD1 4.31Å; L701-L765 HydrophobicContact CD2-CD1 3.75Å; A761-L765 WeakPolarHBondContact O-CG 3.41Å; A761-L765 PolarHBondContact O-N 3.33Å; A761-L765 VanDerWaalsContact O-N 3.08Å; C762-L765 PolarHBondContact O-N 2.92Å; T763-L765 PolarHBondContact O-N 2.83Å; L765-T767 VanDerWaalsContact C-N 3.32Å; L765-T767 PolarHBondContact O-N 3.27Å; L765-F773 HydrophobicContact CB-CE1 4.28Å; L765-F773 HydrophobicContact CB-CE2 4.46Å; L765-F773 HydrophobicContact CB-CZ 3.72Å; L765-F781 HydrophobicContact CB-CE2 3.99Å; L765-F781 HydrophobicContact CB-CZ 4.43Å; L765-F781 HydrophobicContact CD1-CD2 4.16Å; L765-F781 HydrophobicContact CD1-CE2 4.44Å; L765-F781 HydrophobicContact CD2-CD2 4.41Å; L765-F781 HydrophobicContact CD2-CE2 4.49Å
766D91.6Very high91.9Very high1 Ų135.2 Ų35.21%0.00519%0.192CC..  trans-77.382.4175.8-1697.9000111.8R274 C762 T763 S768 Y769 K770 S771 F773 Y809R274-D766 PolarHBondContact NH1-O 3.09Å; C762-D766 WeakPolarHBondContact O-CB 3.5Å; C762-D766 PolarHBondContact O-N 3.3Å; T763-D766 PolarHBondContact O-N 3.45Å; D766-S768 PolarHBondContact O-N 3.48Å; D766-S768 VanDerWaalsContact OD1-C 3.29Å; D766-S768 VanDerWaalsContact OD1-CA 3.29Å; D766-S768 WeakPolarHBondContact OD1-CA 3.37Å; D766-S768 WeakPolarHBondContact OD1-CB 3.44Å; D766-S768 PolarHBondContact OD1-N 3.14Å; D766-S768 PolarHBondContact OD1-OG 3.13Å; D766-Y769 VanDerWaalsContact CG-N 3.28Å; D766-Y769 PolarHBondContact OD1-N 3.19Å; D766-Y769 VanDerWaalsContact OD2-C 3.26Å; D766-Y769 VanDerWaalsContact OD2-CA 3.28Å; D766-Y769 WeakPolarHBondContact OD2-CA 3.3Å; D766-Y769 PolarHBondContact OD2-N 3.42Å; D766-K770 PolarHBondContact OD1-N 3.4Å; D766-K770 PolarHBondContact OD2-N 3.37Å; D766-S771 PolarHBondContact OD2-N 3.13Å; D766-F773 HydrophobicContact CB-CE1 3.74Å; D766-F773 HydrophobicContact CB-CZ 4.05Å; D766-Y809 HydrophobicContact CB-CE1 4.25Å
767T84.3Confident91.9Very high88 Ų8836.1 Ų36.154%0.5420%0.196SC..THydrogen-bonded Turntrans-71.7-8168.157.70000113.6R164 L765 Y769R164-T767 PolarHBondContact NH1-O 2.86Å; L765-T767 VanDerWaalsContact C-N 3.32Å; L765-T767 PolarHBondContact O-N 3.27Å; T767-Y769 WeakPolarHBondContact O-CE2 3.3Å
768S85.8Confident91.9Very high56 Ų5634 Ų3439%0.39218%0.182SC..THydrogen-bonded Turntrans-108-6.4-173.2550000114.8D766 K770D766-S768 PolarHBondContact O-N 3.48Å; D766-S768 VanDerWaalsContact OD1-C 3.29Å; D766-S768 VanDerWaalsContact OD1-CA 3.29Å; D766-S768 WeakPolarHBondContact OD1-CA 3.37Å; D766-S768 WeakPolarHBondContact OD1-CB 3.44Å; D766-S768 PolarHBondContact OD1-N 3.14Å; D766-S768 PolarHBondContact OD1-OG 3.13Å; S768-K770 PolarHBondContact O-N 3.28Å; S768-K770 WeakPolarHBondContact OG-CD 3.28Å; S768-K770 VanDerWaalsContact OG-CE 3.24Å; S768-K770 WeakPolarHBondContact OG-CE 3.32Å; S768-K770 WeakPolarHBondContact OG-CG 3.49Å
769Y84.4Confident91.8Very high126 Ų12634.5 Ų34.549%0.49419%0.185SC..  trans58.626.6177.9-49.1-100.2000113.8R164 D766 T767R164-Y769 PolarHBondContact NH2-OH 3.08Å; D766-Y769 VanDerWaalsContact CG-N 3.28Å; D766-Y769 PolarHBondContact OD1-N 3.19Å; D766-Y769 VanDerWaalsContact OD2-C 3.26Å; D766-Y769 VanDerWaalsContact OD2-CA 3.28Å; D766-Y769 WeakPolarHBondContact OD2-CA 3.3Å; D766-Y769 PolarHBondContact OD2-N 3.42Å; T767-Y769 WeakPolarHBondContact O-CE2 3.3Å
770K87.7Confident91.6Very high69 Ų6936 Ų3630%0.319%0.192SC..  trans-73-26178.7-67.9172.5-166.4162.20113.3D766 S768 Y772 E777D766-K770 PolarHBondContact OD1-N 3.4Å; D766-K770 PolarHBondContact OD2-N 3.37Å; S768-K770 PolarHBondContact O-N 3.28Å; S768-K770 WeakPolarHBondContact OG-CD 3.28Å; S768-K770 VanDerWaalsContact OG-CE 3.24Å; S768-K770 WeakPolarHBondContact OG-CE 3.32Å; S768-K770 WeakPolarHBondContact OG-CG 3.49Å; K770-Y772 HydrophobicContact CB-CD1 3.91Å; K770-Y772 HydrophobicContact CB-CE1 3.82Å; K770-Y772 HydrophobicContact CB-CG 4.4Å; K770-Y772 HydrophobicContact CD-CE1 4.49Å; K770-Y772 HydrophobicContact CD-CE2 4.22Å; K770-Y772 HydrophobicContact CG-CE1 4.37Å; K770-Y772 VanDerWaalsContact O-CD1 3.28Å; K770-Y772 WeakPolarHBondContact O-CD1 3.38Å; K770-Y772 PolarHBondContact O-N 3.35Å; K770-E777 IonicContact NZ-OE1 2.79Å; K770-E777 PolarHBondContact NZ-OE1 3Å; K770-E777 IonicContact NZ-OE2 3.85Å; K770-E777 PolarHBondContact NZ-OE2 2.84Å
771S88.7Confident91.6Very high47 Ų4736.1 Ų36.133%0.32919%0.193SC..SBendtrans61.416.3-166.1-530000115.5D766D766-S771 PolarHBondContact OD2-N 3.13Å
772Y93.4Very high91.5Very high65 Ų6536.3 Ų36.326%0.25519%0.194SC..  trans-151.6157.8170.169.6-91.1000111.5K770 L774 R806 F807K770-Y772 HydrophobicContact CB-CD1 3.91Å; K770-Y772 HydrophobicContact CB-CE1 3.82Å; K770-Y772 HydrophobicContact CB-CG 4.4Å; K770-Y772 HydrophobicContact CD-CE1 4.49Å; K770-Y772 HydrophobicContact CD-CE2 4.22Å; K770-Y772 HydrophobicContact CG-CE1 4.37Å; K770-Y772 VanDerWaalsContact O-CD1 3.28Å; K770-Y772 WeakPolarHBondContact O-CD1 3.38Å; K770-Y772 PolarHBondContact O-N 3.35Å; Y772-L774 HydrophobicContact CE2-CD2 4.43Å; Y772-R806 HydrophobicContact CD2-CB 4.3Å; Y772-R806 HydrophobicContact CD2-CG 4.18Å; Y772-R806 HydrophobicContact CE2-CG 4.41Å; Y772-F807 CarbonylContact C-O 3.56Å; Y772-F807 WeakPolarHBondContact CA-O 3.14Å; Y772-F807 WeakPolarHBondContact CB-O 3.18Å
773F94.6Very high91.3Very high3 Ų338.3 Ų38.31%0.01320%0.204CC..EExtended strand (participates in β ladder)trans-112.8150.7170.4-56.3-51.8000111.6L701 C762 L765 D766 E777 V778 F781 R806 F807 Y809L701-F773 HydrophobicContact CD2-CD2 4.4Å; L701-F773 HydrophobicContact CD2-CE2 4.23Å; C762-F773 HydrophobicContact CB-CE2 4.31Å; C762-F773 HydrophobicContact CB-CZ 4.5Å; C762-F773 WeakPolarHBondContact O-CZ 3.06Å; L765-F773 HydrophobicContact CB-CE1 4.28Å; L765-F773 HydrophobicContact CB-CE2 4.46Å; L765-F773 HydrophobicContact CB-CZ 3.72Å; D766-F773 HydrophobicContact CB-CE1 3.74Å; D766-F773 HydrophobicContact CB-CZ 4.05Å; F773-E777 HydrophobicContact CB-CB 4.42Å; F773-V778 HydrophobicContact CB-CG2 3.56Å; F773-V778 HydrophobicContact CD2-CG2 4.29Å; F773-V778 HydrophobicContact CG-CG2 4.31Å; F773-F781 AromaticContact CD1-CE2 3.92Å; F773-F781 HydrophobicContact CD1-CE2 3.92Å; F773-F781 HydrophobicContact CD1-CZ 4.43Å; F773-F781 HydrophobicContact CD2-CE2 4.38Å; F773-F781 AromaticContact CE1-CE2 3.92Å; F773-F781 HydrophobicContact CE1-CE2 3.92Å; F773-F781 HydrophobicContact CE1-CZ 4.41Å; F773-F781 HydrophobicContact CE2-CE2 4.39Å; F773-F781 HydrophobicContact CG-CE2 4.16Å; F773-F781 HydrophobicContact CZ-CE2 4.17Å; F773-R806 CarbonylContact O-C 3.54Å; F773-R806 WeakPolarHBondContact O-CA 3.24Å; F773-F807 HydrophobicContact CB-CB 4.46Å; F773-F807 AromaticContact CD2-CD1 3.91Å; F773-F807 HydrophobicContact CD2-CD1 3.91Å; F773-F807 PolarHBondContact N-O 3.38Å; F773-F807 PolarHBondContact O-N 2.89Å; F773-Y809 HydrophobicContact CE2-CD1 4.03Å; F773-Y809 HydrophobicContact CE2-CE1 4.49Å; F773-Y809 HydrophobicContact CZ-CD1 4.26Å; F773-Y809 HydrophobicContact CZ-CE1 4.26Å
774L93.8Very high91.3Very high69 Ų6938.2 Ų38.236%0.36120%0.204SC..EExtended strand (participates in β ladder)trans-80.2151.1167.6-64.5167.7000110.6Y772 S776 E777 V778 R806Y772-L774 HydrophobicContact CE2-CD2 4.43Å; L774-S776 PolarHBondContact O-N 3.41Å; L774-S776 VanDerWaalsContact O-N 3.08Å; L774-E777 HydrophobicContact CB-CB 4.42Å; L774-E777 HydrophobicContact CB-CG 4.06Å; L774-E777 PolarHBondContact N-OE2 2.87Å; L774-E777 WeakPolarHBondContact O-CA 3.45Å; L774-E777 WeakPolarHBondContact O-CB 3.31Å; L774-E777 PolarHBondContact O-N 3.21Å; L774-V778 PolarHBondContact O-N 3.18Å; L774-V778 VanDerWaalsContact O-N 3.07Å; L774-R806 HydrophobicContact CD2-CG 4.42Å
775S92.6Very high91.3Very high16 Ų1637 Ų3711%0.11220%0.197CC..Hα-helixtrans-45-42174.4179.80000114.1E779 L802 G805S775-E779 WeakPolarHBondContact O-CB 3.35Å; S775-E779 PolarHBondContact O-N 2.65Å; S775-L802 VanDerWaalsContact CB-CD1 3.46Å; S775-G805 PolarHBondContact N-O 2.91Å
776S91.4Very high91.1Very high67 Ų6737.9 Ų37.947%0.46921%0.207SC..Hα-helixtrans-75.6-28.117955.70000114L774 D780L774-S776 PolarHBondContact O-N 3.41Å; L774-S776 VanDerWaalsContact O-N 3.08Å; S776-D780 WeakPolarHBondContact O-CB 3.45Å; S776-D780 PolarHBondContact O-N 2.95Å
777E93.3Very high91Very high50 Ų5039 Ų3923%0.23421%0.212CC..Hα-helixtrans-69.5-42.6173.9-66.9171.5148.800109.3K770 F773 L774 F781K770-E777 IonicContact NZ-OE1 2.79Å; K770-E777 PolarHBondContact NZ-OE1 3Å; K770-E777 IonicContact NZ-OE2 3.85Å; K770-E777 PolarHBondContact NZ-OE2 2.84Å; F773-E777 HydrophobicContact CB-CB 4.42Å; L774-E777 HydrophobicContact CB-CB 4.42Å; L774-E777 HydrophobicContact CB-CG 4.06Å; L774-E777 PolarHBondContact N-OE2 2.87Å; L774-E777 WeakPolarHBondContact O-CA 3.45Å; L774-E777 WeakPolarHBondContact O-CB 3.31Å; L774-E777 PolarHBondContact O-N 3.21Å; E777-F781 HydrophobicContact CB-CZ 4.31Å; E777-F781 WeakPolarHBondContact O-CB 3.36Å; E777-F781 WeakPolarHBondContact O-CD1 3.44Å; E777-F781 WeakPolarHBondContact O-CD2 3.4Å; E777-F781 WeakPolarHBondContact O-CG 3.44Å; E777-F781 PolarHBondContact O-N 3.3Å
778V94Very high91.2Very high1 Ų137.1 Ų37.11%0.00620%0.202CC..Hα-helixtrans-67-40.8175-1740000112L705 F773 L774 F781 I782 I798 F807L705-V778 HydrophobicContact CD1-CG1 3.61Å; F773-V778 HydrophobicContact CB-CG2 3.56Å; F773-V778 HydrophobicContact CD2-CG2 4.29Å; F773-V778 HydrophobicContact CG-CG2 4.31Å; L774-V778 PolarHBondContact O-N 3.18Å; L774-V778 VanDerWaalsContact O-N 3.07Å; V778-F781 PolarHBondContact O-N 3.11Å; V778-I782 HydrophobicContact CG1-CD1 3.83Å; V778-I782 PolarHBondContact O-N 2.82Å; V778-I782 VanDerWaalsContact O-N 3.08Å; V778-I798 HydrophobicContact CB-CD1 4.17Å; V778-I798 HydrophobicContact CG1-CD1 3.73Å; V778-I798 HydrophobicContact CG1-CG1 3.95Å; V778-F807 HydrophobicContact CG2-CB 4.33Å
779E93.2Very high91.2Very high11 Ų1135.9 Ų35.95%0.05119%0.191CC..Hα-helixtrans-60.2-52.7173.7-169.9-172150.500110.9S775 F781 I782 L783 R791 L794 R795 I798S775-E779 WeakPolarHBondContact O-CB 3.35Å; S775-E779 PolarHBondContact O-N 2.65Å; E779-F781 VanDerWaalsContact C-N 3.31Å; E779-F781 PolarHBondContact O-N 3.5Å; E779-I782 PolarHBondContact O-N 3.34Å; E779-L783 HydrophobicContact CG-CD1 3.89Å; E779-L783 HydrophobicContact CG-CG 4.46Å; E779-L783 WeakPolarHBondContact O-CB 3.42Å; E779-L783 WeakPolarHBondContact O-CG 3.31Å; E779-L783 PolarHBondContact O-N 3.37Å; E779-R791 WeakPolarHBondContact OE1-CD 3.38Å; E779-R791 IonicContact OE1-CZ 2.79Å; E779-R791 IonicContact OE1-NE 3.3Å; E779-R791 IonicContact OE1-NH1 3.17Å; E779-R791 PolarHBondContact OE1-NH1 3.41Å; E779-L794 HydrophobicContact CG-CD2 4.11Å; E779-R795 HydrophobicContact CG-CG 4.29Å; E779-R795 WeakPolarHBondContact OE2-CD 3.38Å; E779-R795 WeakPolarHBondContact OE2-CG 3.44Å; E779-R795 IonicContact OE2-CZ 3.15Å; E779-R795 IonicContact OE2-NE 2.75Å; E779-R795 IonicContact OE2-NH1 2.96Å; E779-R795 PolarHBondContact OE2-NH1 3.07Å; E779-I798 HydrophobicContact CB-CD1 4.37Å
780D92.3Very high91.3Very high30 Ų3032.4 Ų32.416%0.1619%0.185CC..Hα-helixtrans-60.8-38.2178.2-83.3-17.4000111.9K170 S776 S784K170-D780 VanDerWaalsContact CE-CG 3.44Å; K170-D780 WeakPolarHBondContact CE-OD1 3.45Å; K170-D780 WeakPolarHBondContact CE-OD2 3.39Å; K170-D780 HydrophobicContact CG-CB 4.47Å; K170-D780 IonicContact NZ-OD2 3.98Å; S776-D780 WeakPolarHBondContact O-CB 3.45Å; S776-D780 PolarHBondContact O-N 2.95Å; D780-S784 PolarHBondContact O-N 2.98Å; D780-S784 VanDerWaalsContact O-N 3.11Å
781F94.2Very high91.4Very high15 Ų1535.9 Ų35.97%0.06620%0.196CC..Hα-helixtrans-61.2-55.8176.8-67.8-11.4000111.5P169 V698 L701 L765 F773 E777 V778 E779 L783 S784P169-F781 HydrophobicContact CB-CD1 4.41Å; P169-F781 HydrophobicContact CB-CE1 4.26Å; V698-F781 HydrophobicContact CG1-CB 4.21Å; V698-F781 VanDerWaalsContact CG1-O 3.32Å; V698-F781 WeakPolarHBondContact CG1-O 3.23Å; V698-F781 HydrophobicContact CG2-CB 4.17Å; L701-F781 HydrophobicContact CD2-CD2 4.28Å; L765-F781 HydrophobicContact CB-CE2 3.99Å; L765-F781 HydrophobicContact CB-CZ 4.43Å; L765-F781 HydrophobicContact CD1-CD2 4.16Å; L765-F781 HydrophobicContact CD1-CE2 4.44Å; L765-F781 HydrophobicContact CD2-CD2 4.41Å; L765-F781 HydrophobicContact CD2-CE2 4.49Å; F773-F781 AromaticContact CD1-CE2 3.92Å; F773-F781 HydrophobicContact CD1-CE2 3.92Å; F773-F781 HydrophobicContact CD1-CZ 4.43Å; F773-F781 HydrophobicContact CD2-CE2 4.38Å; F773-F781 AromaticContact CE1-CE2 3.92Å; F773-F781 HydrophobicContact CE1-CE2 3.92Å; F773-F781 HydrophobicContact CE1-CZ 4.41Å; F773-F781 HydrophobicContact CE2-CE2 4.39Å; F773-F781 HydrophobicContact CG-CE2 4.16Å; F773-F781 HydrophobicContact CZ-CE2 4.17Å; E777-F781 HydrophobicContact CB-CZ 4.31Å; E777-F781 WeakPolarHBondContact O-CB 3.36Å; E777-F781 WeakPolarHBondContact O-CD1 3.44Å; E777-F781 WeakPolarHBondContact O-CD2 3.4Å; E777-F781 WeakPolarHBondContact O-CG 3.44Å; E777-F781 PolarHBondContact O-N 3.3Å; V778-F781 PolarHBondContact O-N 3.11Å; E779-F781 VanDerWaalsContact C-N 3.31Å; E779-F781 PolarHBondContact O-N 3.5Å; F781-L783 VanDerWaalsContact C-N 3.34Å; F781-L783 PolarHBondContact O-N 2.92Å; F781-S784 WeakPolarHBondContact O-CA 3.11Å; F781-S784 VanDerWaalsContact O-CB 3.27Å; F781-S784 WeakPolarHBondContact O-CB 3.14Å; F781-S784 PolarHBondContact O-N 2.87Å; F781-S784 PolarHBondContact O-OG 3.16Å
782I93.4Very high91.5Very high5 Ų542.6 Ų42.63%0.02622%0.216CC..Hα-helixtrans-69.1-35.4-174-63.4163.6000110.8V698 F702 L705 V778 E779 S784 L785 L794 I798V698-I782 HydrophobicContact CG1-CG1 4.16Å; F702-I782 HydrophobicContact CB-CD1 4.45Å; F702-I782 HydrophobicContact CB-CG1 4.35Å; F702-I782 HydrophobicContact CD2-CD1 4.1Å; F702-I782 HydrophobicContact CD2-CG2 3.92Å; F702-I782 HydrophobicContact CE2-CG2 4.39Å; F702-I782 HydrophobicContact CG-CG2 4.31Å; L705-I782 HydrophobicContact CD1-CD1 3.68Å; V778-I782 HydrophobicContact CG1-CD1 3.83Å; V778-I782 PolarHBondContact O-N 2.82Å; V778-I782 VanDerWaalsContact O-N 3.08Å; E779-I782 PolarHBondContact O-N 3.34Å; I782-S784 PolarHBondContact O-N 3Å; I782-L785 WeakPolarHBondContact O-CB 3.49Å; I782-L785 PolarHBondContact O-N 2.8Å; I782-L785 VanDerWaalsContact O-N 3.08Å; I782-L794 HydrophobicContact CB-CD1 3.86Å; I782-L794 HydrophobicContact CB-CD2 4.09Å; I782-L794 HydrophobicContact CD1-CD1 3.77Å; I782-L794 HydrophobicContact CG1-CD1 4.43Å; I782-L794 HydrophobicContact CG2-CD1 3.59Å; I782-L794 HydrophobicContact CG2-CD2 4.14Å; I782-I798 HydrophobicContact CD1-CD1 4.43Å
783L91.7Very high91.3Very high43 Ų4343.3 Ų43.323%0.22522%0.221CC..Hα-helixtrans-59.9-28.2169.7-70.5174.4000113E779 F781 L785 G786 R791 L794E779-L783 HydrophobicContact CG-CD1 3.89Å; E779-L783 HydrophobicContact CG-CG 4.46Å; E779-L783 WeakPolarHBondContact O-CB 3.42Å; E779-L783 WeakPolarHBondContact O-CG 3.31Å; E779-L783 PolarHBondContact O-N 3.37Å; F781-L783 VanDerWaalsContact C-N 3.34Å; F781-L783 PolarHBondContact O-N 2.92Å; L783-L785 PolarHBondContact O-N 3.41Å; L783-G786 PolarHBondContact O-N 3.08Å; L783-R791 HydrophobicContact CD1-CG 4.13Å; L783-R791 HydrophobicContact CD2-CG 4.11Å; L783-L794 HydrophobicContact CD2-CD2 3.93Å; L783-L794 HydrophobicContact CG-CD2 3.77Å
784S92.6Very high91.2Very high3 Ų343.2 Ų43.22%0.02122%0.221CC..THydrogen-bonded Turntrans-68.3-17.4176.282.30000113.7M172 L173 D780 F781 I782 G786M172-S784 CarbonylContact C-O 3.56Å; M172-S784 WeakPolarHBondContact CA-O 3.19Å; L173-S784 WeakPolarHBondContact CB-O 3.35Å; L173-S784 PolarHBondContact N-O 3.31Å; D780-S784 PolarHBondContact O-N 2.98Å; D780-S784 VanDerWaalsContact O-N 3.11Å; F781-S784 WeakPolarHBondContact O-CA 3.11Å; F781-S784 VanDerWaalsContact O-CB 3.27Å; F781-S784 WeakPolarHBondContact O-CB 3.14Å; F781-S784 PolarHBondContact O-N 2.87Å; F781-S784 PolarHBondContact O-OG 3.16Å; I782-S784 PolarHBondContact O-N 3Å; S784-G786 VanDerWaalsContact C-N 3.27Å
785L91.8Very high91.2Very high6 Ų644.7 Ų44.73%0.03122%0.222CC..THydrogen-bonded Turntrans-68.4-28.5168.8-63.5179.6000112.3N174 L209 R695 V698 F699 I782 L783 L787N174-L785 WeakPolarHBondContact CB-O 3.37Å; N174-L785 PolarHBondContact ND2-O 2.76Å; L209-L785 HydrophobicContact CD2-CD2 4.24Å; R695-L785 HydrophobicContact CB-CD2 4.48Å; R695-L785 HydrophobicContact CG-CD2 3.66Å; V698-L785 HydrophobicContact CB-CD2 3.94Å; V698-L785 HydrophobicContact CB-CG 4.25Å; V698-L785 HydrophobicContact CG1-CD1 3.89Å; V698-L785 HydrophobicContact CG1-CD2 3.93Å; V698-L785 HydrophobicContact CG1-CG 3.65Å; F699-L785 HydrophobicContact CB-CD1 4.19Å; F699-L785 HydrophobicContact CB-CD2 4.43Å; F699-L785 HydrophobicContact CD2-CD1 4.05Å; I782-L785 WeakPolarHBondContact O-CB 3.49Å; I782-L785 PolarHBondContact O-N 2.8Å; I782-L785 VanDerWaalsContact O-N 3.08Å; L783-L785 PolarHBondContact O-N 3.41Å; L785-L787 VanDerWaalsContact C-N 3.32Å; L785-L787 HydrophobicContact CB-CD1 4.47Å; L785-L787 HydrophobicContact CB-CG 3.94Å; L785-L787 HydrophobicContact CD1-CD1 3.92Å; L785-L787 HydrophobicContact CD1-CG 4.28Å
786G88.9Confident91.2Very high24 Ų2446.7 Ų46.725%0.24724%0.236CC..  trans64.632.8-175.400000114.3M172 N174 L783 S784M172-G786 VanDerWaalsContact CE-CA 3.42Å; N174-G786 WeakPolarHBondContact ND2-CA 3.35Å; N174-G786 PolarHBondContact ND2-O 3.31Å; L783-G786 PolarHBondContact O-N 3.08Å; S784-G786 VanDerWaalsContact C-N 3.27Å
787L89.4Confident91.3Very high24 Ų2444.8 Ų44.813%0.12622%0.22CC..  trans-66.2150.8166.1-58.2179.6000110L209 F702 L785 I789 V842L209-L787 HydrophobicContact CD1-CD2 3.73Å; F702-L787 HydrophobicContact CD1-CD1 4.07Å; F702-L787 HydrophobicContact CE1-CD1 3.83Å; L785-L787 VanDerWaalsContact C-N 3.32Å; L785-L787 HydrophobicContact CB-CD1 4.47Å; L785-L787 HydrophobicContact CB-CG 3.94Å; L785-L787 HydrophobicContact CD1-CD1 3.92Å; L785-L787 HydrophobicContact CD1-CG 4.28Å; L787-I789 HydrophobicContact CB-CD1 3.92Å; L787-I789 HydrophobicContact CB-CG1 3.99Å; L787-I789 HydrophobicContact CD1-CD1 3.88Å; L787-I789 PolarHBondContact O-N 2.84Å; L787-V842 HydrophobicContact CD2-CG1 4.3Å
788P87.6Confident91.3Very high50 Ų5042.5 Ų42.533%0.32521%0.209SC..SBendtrans-76.258.1177.735.1-39000111.7R843 G845 D846P788-R843 WeakPolarHBondContact CG-O 3.4Å; P788-G845 PolarHBondContact O-N 3.43Å; P788-D846 WeakPolarHBondContact CB-OD2 3.46Å; P788-D846 HydrophobicContact CG-CB 4.49Å; P788-D846 VanDerWaalsContact CG-OD2 3.32Å; P788-D846 WeakPolarHBondContact CG-OD2 3.44Å
789I85.6Confident91.3Very high30 Ų3048.6 Ų48.615%0.15423%0.233CC..  trans-115.4125.1-178.8-58.7174.4000108.4F702 L787 Q793 L794F702-I789 HydrophobicContact CE1-CD1 4.06Å; F702-I789 HydrophobicContact CE2-CD1 4.1Å; F702-I789 HydrophobicContact CZ-CD1 3.46Å; F702-I789 VanDerWaalsContact CZ-CD1 3.46Å; L787-I789 HydrophobicContact CB-CD1 3.92Å; L787-I789 HydrophobicContact CB-CG1 3.99Å; L787-I789 HydrophobicContact CD1-CD1 3.88Å; L787-I789 PolarHBondContact O-N 2.84Å; I789-Q793 HydrophobicContact CG2-CB 4.01Å; I789-L794 HydrophobicContact CG2-CB 4.2Å
790S86.6Confident91.3Very high53 Ų5353.5 Ų53.537%0.37125%0.254SS..  trans-66.714817974.10000111.4Y792 Q793 L794S790-Y792 PolarHBondContact O-N 3Å; S790-Y792 VanDerWaalsContact O-N 3.08Å; S790-Q793 VanDerWaalsContact CB-OE1 3.23Å; S790-Q793 PolarHBondContact O-N 2.84Å; S790-Q793 WeakPolarHBondContact OG-CG 3.29Å; S790-Q793 PolarHBondContact OG-N 3.47Å; S790-Q793 VanDerWaalsContact OG-N 3.14Å; S790-Q793 PolarHBondContact OG-OE1 3.31Å; S790-L794 WeakPolarHBondContact O-CB 3.43Å; S790-L794 PolarHBondContact O-N 3.5Å
791R90.2Very high91.2Very high142 Ų14252.1 Ų52.154%0.53625%0.247SC..Hα-helixtrans-56.1-26172.2-71.1-174.9-177.5-112.74.3113E779 L783 R795E779-R791 WeakPolarHBondContact OE1-CD 3.38Å; E779-R791 IonicContact OE1-CZ 2.79Å; E779-R791 IonicContact OE1-NE 3.3Å; E779-R791 IonicContact OE1-NH1 3.17Å; E779-R791 PolarHBondContact OE1-NH1 3.41Å; L783-R791 HydrophobicContact CD1-CG 4.13Å; L783-R791 HydrophobicContact CD2-CG 4.11Å; R791-R795 VanDerWaalsContact O-CB 3.25Å; R791-R795 WeakPolarHBondContact O-CB 3.41Å; R791-R795 WeakPolarHBondContact O-CD 3.25Å; R791-R795 WeakPolarHBondContact O-CG 3.44Å; R791-R795 PolarHBondContact O-N 2.84Å
792Y90.2Very high91.1Very high188 Ų18852.1 Ų52.174%0.73725%0.247SC*.Hα-helixtrans-71.9-51.5176.5-178.7-97.3000111.6S790 L794 R795 S796S790-Y792 PolarHBondContact O-N 3Å; S790-Y792 VanDerWaalsContact O-N 3.08Å; Y792-L794 VanDerWaalsContact C-N 3.34Å; Y792-L794 PolarHBondContact O-N 3.43Å; Y792-R795 PolarHBondContact O-N 2.9Å; Y792-S796 WeakPolarHBondContact O-CB 3.22Å; Y792-S796 PolarHBondContact O-N 2.91Å
793Q90.4Very high90.8Very high79 Ų7953.2 Ų53.237%0.36925%0.253SS..Hα-helixtrans-56.2-49.6173.8-73.1156.3-56.200110.7I789 S790 R795 S796 L797I789-Q793 HydrophobicContact CG2-CB 4.01Å; S790-Q793 VanDerWaalsContact CB-OE1 3.23Å; S790-Q793 PolarHBondContact O-N 2.84Å; S790-Q793 WeakPolarHBondContact OG-CG 3.29Å; S790-Q793 PolarHBondContact OG-N 3.47Å; S790-Q793 VanDerWaalsContact OG-N 3.14Å; S790-Q793 PolarHBondContact OG-OE1 3.31Å; Q793-R795 PolarHBondContact O-N 3.47Å; Q793-S796 WeakPolarHBondContact O-CB 3.49Å; Q793-S796 PolarHBondContact O-N 2.87Å; Q793-L797 WeakPolarHBondContact O-CB 3.4Å; Q793-L797 PolarHBondContact O-N 3.04Å
794L91.9Very high90.5Very high2 Ų259.9 Ų59.91%0.0128%0.283CS..Hα-helixtrans-59.1-44.5-179.4179.457000112.4E779 I782 L783 I789 S790 Y792 I798E779-L794 HydrophobicContact CG-CD2 4.11Å; I782-L794 HydrophobicContact CB-CD1 3.86Å; I782-L794 HydrophobicContact CB-CD2 4.09Å; I782-L794 HydrophobicContact CD1-CD1 3.77Å; I782-L794 HydrophobicContact CG1-CD1 4.43Å; I782-L794 HydrophobicContact CG2-CD1 3.59Å; I782-L794 HydrophobicContact CG2-CD2 4.14Å; L783-L794 HydrophobicContact CD2-CD2 3.93Å; L783-L794 HydrophobicContact CG-CD2 3.77Å; I789-L794 HydrophobicContact CG2-CB 4.2Å; S790-L794 WeakPolarHBondContact O-CB 3.43Å; S790-L794 PolarHBondContact O-N 3.5Å; Y792-L794 VanDerWaalsContact C-N 3.34Å; Y792-L794 PolarHBondContact O-N 3.43Å; L794-I798 HydrophobicContact CD1-CD1 3.74Å; L794-I798 HydrophobicContact CD1-CG1 4.23Å; L794-I798 HydrophobicContact CG-CD1 3.82Å; L794-I798 VanDerWaalsContact O-CB 3.32Å; L794-I798 WeakPolarHBondContact O-CB 3.03Å; L794-I798 WeakPolarHBondContact O-CD1 3.31Å; L794-I798 WeakPolarHBondContact O-CG1 3.42Å; L794-I798 PolarHBondContact O-N 2.79Å
795R94.2Very high90.3Very high100 Ų10061 Ų6138%0.37730%0.296SS..Hα-helixtrans-71.7-35.1177.6-70172.473.6144.3-3.4112.3E779 R791 Y792 Q793 I798 Y799E779-R795 HydrophobicContact CG-CG 4.29Å; E779-R795 WeakPolarHBondContact OE2-CD 3.38Å; E779-R795 WeakPolarHBondContact OE2-CG 3.44Å; E779-R795 IonicContact OE2-CZ 3.15Å; E779-R795 IonicContact OE2-NE 2.75Å; E779-R795 IonicContact OE2-NH1 2.96Å; E779-R795 PolarHBondContact OE2-NH1 3.07Å; R791-R795 VanDerWaalsContact O-CB 3.25Å; R791-R795 WeakPolarHBondContact O-CB 3.41Å; R791-R795 WeakPolarHBondContact O-CD 3.25Å; R791-R795 WeakPolarHBondContact O-CG 3.44Å; R791-R795 PolarHBondContact O-N 2.84Å; Y792-R795 PolarHBondContact O-N 2.9Å; Q793-R795 PolarHBondContact O-N 3.47Å; R795-I798 PolarHBondContact O-N 2.76Å; R795-Y799 HydrophobicContact CB-CD2 4.29Å; R795-Y799 HydrophobicContact CB-CE2 4.14Å; R795-Y799 PolarHBondContact NH2-OH 3.11Å; R795-Y799 WeakPolarHBondContact O-CB 3.47Å; R795-Y799 WeakPolarHBondContact O-CD2 3.37Å; R795-Y799 PolarHBondContact O-N 3.03Å
796S92.5Very high90.4Very high58 Ų5866.5 Ų66.541%0.40632%0.316SS..Hα-helixtrans-61.2-47.6173.9-174.90000111.3Y792 Q793 Y799 K800Y792-S796 WeakPolarHBondContact O-CB 3.22Å; Y792-S796 PolarHBondContact O-N 2.91Å; Q793-S796 WeakPolarHBondContact O-CB 3.49Å; Q793-S796 PolarHBondContact O-N 2.87Å; S796-Y799 PolarHBondContact O-N 3.17Å; S796-K800 PolarHBondContact O-N 3.08Å
797L93.2Very high90.6Very high27 Ų2765.4 Ų65.414%0.14130%0.304CS..Hα-helixtrans-56.1-54.6172.3173.466.2000111.4F702 V706 A709 Q793 Y799 K800F702-L797 HydrophobicContact CD2-CD2 4.2Å; F702-L797 HydrophobicContact CE2-CD2 3.69Å; V706-L797 HydrophobicContact CG2-CD1 4.23Å; V706-L797 HydrophobicContact CG2-CD2 3.81Å; A709-L797 HydrophobicContact CB-CD1 3.39Å; Q793-L797 WeakPolarHBondContact O-CB 3.4Å; Q793-L797 PolarHBondContact O-N 3.04Å; L797-Y799 VanDerWaalsContact C-N 3.33Å; L797-Y799 PolarHBondContact O-N 3.27Å; L797-K800 WeakPolarHBondContact O-CB 3.31Å; L797-K800 PolarHBondContact O-N 3.21Å; L797-K800 VanDerWaalsContact O-N 3.13Å
798I93.9Very high90.8Very high1 Ų165.4 Ų65.41%0.00530%0.303CS..Hα-helixtrans-57.6-44-179.2-75.1169.6000111.1V778 E779 I782 L794 R795 K800 V801 L802V778-I798 HydrophobicContact CB-CD1 4.17Å; V778-I798 HydrophobicContact CG1-CD1 3.73Å; V778-I798 HydrophobicContact CG1-CG1 3.95Å; E779-I798 HydrophobicContact CB-CD1 4.37Å; I782-I798 HydrophobicContact CD1-CD1 4.43Å; L794-I798 HydrophobicContact CD1-CD1 3.74Å; L794-I798 HydrophobicContact CD1-CG1 4.23Å; L794-I798 HydrophobicContact CG-CD1 3.82Å; L794-I798 VanDerWaalsContact O-CB 3.32Å; L794-I798 WeakPolarHBondContact O-CB 3.03Å; L794-I798 WeakPolarHBondContact O-CD1 3.31Å; L794-I798 WeakPolarHBondContact O-CG1 3.42Å; L794-I798 PolarHBondContact O-N 2.79Å; R795-I798 PolarHBondContact O-N 2.76Å; I798-K800 VanDerWaalsContact C-N 3.3Å; I798-K800 PolarHBondContact O-N 2.58Å; I798-V801 PolarHBondContact O-N 3.34Å; I798-V801 VanDerWaalsContact O-N 3.11Å; I798-L802 HydrophobicContact CG2-CD1 3.3Å; I798-L802 HydrophobicContact CG2-CD2 4.3Å; I798-L802 HydrophobicContact CG2-CG 3.65Å; I798-L802 VanDerWaalsContact O-CG 3.29Å; I798-L802 WeakPolarHBondContact O-CG 3.35Å; I798-L802 PolarHBondContact O-N 2.66Å
799Y93.2Very high91.1Very high129 Ų12963.2 Ų63.251%0.50629%0.289SS..Hα-helixtrans-68.9-18.9179.7-75-54000114.6R795 S796 L797 V801 L802R795-Y799 HydrophobicContact CB-CD2 4.29Å; R795-Y799 HydrophobicContact CB-CE2 4.14Å; R795-Y799 PolarHBondContact NH2-OH 3.11Å; R795-Y799 WeakPolarHBondContact O-CB 3.47Å; R795-Y799 WeakPolarHBondContact O-CD2 3.37Å; R795-Y799 PolarHBondContact O-N 3.03Å; S796-Y799 PolarHBondContact O-N 3.17Å; L797-Y799 VanDerWaalsContact C-N 3.33Å; L797-Y799 PolarHBondContact O-N 3.27Å; Y799-V801 VanDerWaalsContact C-N 3.31Å; Y799-L802 HydrophobicContact CD1-CD1 4Å; Y799-L802 HydrophobicContact CE1-CD1 4.23Å
800K92.6Very high91.5Very high115 Ų11565.1 Ų65.150%0.529%0.294SS..Hα-helixtrans-65.2-35.9168.9-69.9175.2171.4-172.60111.7A709 D710 S796 L797 I798A709-K800 HydrophobicContact CB-CB 4.11Å; A709-K800 HydrophobicContact CB-CD 3.73Å; D710-K800 IonicContact OD1-NZ 3.94Å; S796-K800 PolarHBondContact O-N 3.08Å; L797-K800 WeakPolarHBondContact O-CB 3.31Å; L797-K800 PolarHBondContact O-N 3.21Å; L797-K800 VanDerWaalsContact O-N 3.13Å; I798-K800 VanDerWaalsContact C-N 3.3Å; I798-K800 PolarHBondContact O-N 2.58Å
801V92.2Very high91.7Very high0 Ų064.2 Ų64.20%029%0.288CS..Hα-helixtrans-100.5-26.5-170.7-172.20000113.2L705 A708 A709 C714 A715 I798 Y799 F807 L812L705-V801 HydrophobicContact CD2-CB 4.01Å; L705-V801 HydrophobicContact CD2-CG1 3.99Å; L705-V801 HydrophobicContact CD2-CG2 4.29Å; A708-V801 HydrophobicContact CB-CG1 4.02Å; A708-V801 HydrophobicContact CB-CG2 4.08Å; A709-V801 HydrophobicContact CB-CG2 3.72Å; C714-V801 CarbonylContact C-O 3.58Å; C714-V801 WeakPolarHBondContact CA-O 3.12Å; C714-V801 PolarHBondContact SG-O 3.46Å; C714-V801 VanDerWaalsContact SG-O 3.36Å; A715-V801 HydrophobicContact CB-CG1 3.98Å; A715-V801 PolarHBondContact N-O 3.09Å; I798-V801 PolarHBondContact O-N 3.34Å; I798-V801 VanDerWaalsContact O-N 3.11Å; Y799-V801 VanDerWaalsContact C-N 3.31Å; V801-F807 HydrophobicContact CG1-CD2 4.1Å; V801-F807 HydrophobicContact CG1-CE2 3.84Å; V801-L812 HydrophobicContact CG1-CD1 4.48Å
802L91.2Very high91.7Very high16 Ų1657.8 Ų57.88%0.08426%0.264CS..BIsolated β-bridgetrans-66.7140.2-179.6-72.7175.3000113.8C714 S775 I798 Y799 R806 F807C714-L802 PolarHBondContact SG-O 2.84Å; C714-L802 VanDerWaalsContact SG-O 3.41Å; S775-L802 VanDerWaalsContact CB-CD1 3.46Å; I798-L802 HydrophobicContact CG2-CD1 3.3Å; I798-L802 HydrophobicContact CG2-CD2 4.3Å; I798-L802 HydrophobicContact CG2-CG 3.65Å; I798-L802 VanDerWaalsContact O-CG 3.29Å; I798-L802 WeakPolarHBondContact O-CG 3.35Å; I798-L802 PolarHBondContact O-N 2.66Å; Y799-L802 HydrophobicContact CD1-CD1 4Å; Y799-L802 HydrophobicContact CE1-CD1 4.23Å; L802-R806 WeakPolarHBondContact CD2-O 3.38Å; L802-F807 HydrophobicContact CD2-CB 3.71Å
803D86.6Confident91.8Very high27 Ų2748.8 Ų48.814%0.14423%0.229CC..BIsolated β-bridgetrans-97.9118163.4-177.164.7000110.1K716 P717 G805 R806K716-D803 HydrophobicContact CB-CB 4.36Å; K716-D803 HydrophobicContact CG-CB 3.78Å; P717-D803 WeakPolarHBondContact CD-OD2 3.34Å; D803-G805 PolarHBondContact O-N 2.66Å; D803-R806 PolarHBondContact N-O 3.19Å; D803-R806 PolarHBondContact O-N 2.56Å
804H86.4Confident91.9Very high183 Ų18345.5 Ų45.585%0.84721%0.214SC*.THydrogen-bonded Turntrans46.234.4178.8-63.5-68.8000115.2
805G88.5Confident91.7Very high28 Ų2846.6 Ų46.629%0.28922%0.221SC..THydrogen-bonded Turntrans88.96.1-179.200000115.7S775 D803S775-G805 PolarHBondContact N-O 2.91Å; D803-G805 PolarHBondContact O-N 2.66Å
806R92.5Very high91.2Very high121 Ų12146.8 Ų46.846%0.45723%0.227SC..EExtended strand (participates in β ladder)trans-123.7144.4-179.3-60.7179.3-173.3167.23.1112.3Y772 F773 L774 L802 D803 H808Y772-R806 HydrophobicContact CD2-CB 4.3Å; Y772-R806 HydrophobicContact CD2-CG 4.18Å; Y772-R806 HydrophobicContact CE2-CG 4.41Å; F773-R806 CarbonylContact O-C 3.54Å; F773-R806 WeakPolarHBondContact O-CA 3.24Å; L774-R806 HydrophobicContact CD2-CG 4.42Å; L802-R806 WeakPolarHBondContact CD2-O 3.38Å; D803-R806 PolarHBondContact N-O 3.19Å; D803-R806 PolarHBondContact O-N 2.56Å; R806-H808 VanDerWaalsContact CB-CE1 3.48Å; R806-H808 WeakPolarHBondContact CB-CE1 3.15Å
807F93.8Very high90.6Very high0 Ų049.5 Ų49.50%023%0.233CC..EExtended strand (participates in β ladder)trans-110.5104.1175.4-179.4-103.8000109.2L701 L705 A715 Y772 F773 V778 V801 L802 Y809 L812L701-F807 HydrophobicContact CD1-CD1 4.35Å; L701-F807 HydrophobicContact CD1-CE1 3.47Å; L701-F807 VanDerWaalsContact CD1-CE1 3.47Å; L701-F807 HydrophobicContact CD1-CZ 3.73Å; L705-F807 HydrophobicContact CD2-CD2 3.82Å; L705-F807 HydrophobicContact CD2-CE2 3.45Å; L705-F807 VanDerWaalsContact CD2-CE2 3.45Å; L705-F807 HydrophobicContact CD2-CZ 4.1Å; L705-F807 HydrophobicContact CG-CE2 4.24Å; L705-F807 HydrophobicContact CG-CZ 4.43Å; A715-F807 HydrophobicContact CB-CD2 3.5Å; A715-F807 VanDerWaalsContact CB-CD2 3.5Å; A715-F807 HydrophobicContact CB-CE2 3.7Å; A715-F807 HydrophobicContact CB-CG 4.29Å; Y772-F807 CarbonylContact C-O 3.56Å; Y772-F807 WeakPolarHBondContact CA-O 3.14Å; Y772-F807 WeakPolarHBondContact CB-O 3.18Å; F773-F807 HydrophobicContact CB-CB 4.46Å; F773-F807 AromaticContact CD2-CD1 3.91Å; F773-F807 HydrophobicContact CD2-CD1 3.91Å; F773-F807 PolarHBondContact N-O 3.38Å; F773-F807 PolarHBondContact O-N 2.89Å; V778-F807 HydrophobicContact CG2-CB 4.33Å; V801-F807 HydrophobicContact CG1-CD2 4.1Å; V801-F807 HydrophobicContact CG1-CE2 3.84Å; L802-F807 HydrophobicContact CD2-CB 3.71Å; F807-Y809 PolarHBondContact O-N 2.99Å; F807-L812 HydrophobicContact CE2-CD1 3.71Å; F807-L812 HydrophobicContact CZ-CD1 3.78Å
808H94.1Very high89.8Confident24 Ų2452 Ų5211%0.11125%0.25CS..  trans-92.585.1-178.9-5588.7000109.6A715 P717 R806 R810 S811A715-H808 WeakPolarHBondContact O-CB 3.48Å; A715-H808 PolarHBondContact O-N 3.36Å; A715-H808 VanDerWaalsContact O-N 3.13Å; A715-H808 PolarHBondContact O-ND1 3Å; P717-H808 WeakPolarHBondContact CD-ND1 3.33Å; R806-H808 VanDerWaalsContact CB-CE1 3.48Å; R806-H808 WeakPolarHBondContact CB-CE1 3.15Å; H808-R810 PolarHBondContact O-N 3.37Å; H808-S811 WeakPolarHBondContact O-CB 3.41Å; H808-S811 PolarHBondContact O-N 3.48Å; H808-S811 PolarHBondContact O-OG 3.13Å
809Y94.2Very high88.8Confident5 Ų555.5 Ų55.52%0.0227%0.269CS..THydrogen-bonded Turntrans-55.6-30.3-16759.3-107.5000114.8L759 C762 D766 F773 F807 S811 L812 T813L759-Y809 HydrophobicContact CD1-CD2 3.74Å; L759-Y809 HydrophobicContact CD1-CE2 3.45Å; L759-Y809 VanDerWaalsContact CD1-CE2 3.45Å; C762-Y809 HydrophobicContact CB-CD1 3.69Å; C762-Y809 HydrophobicContact CB-CD2 3.7Å; C762-Y809 HydrophobicContact CB-CE1 4Å; C762-Y809 HydrophobicContact CB-CE2 4.04Å; C762-Y809 HydrophobicContact CB-CG 3.51Å; D766-Y809 HydrophobicContact CB-CE1 4.25Å; F773-Y809 HydrophobicContact CE2-CD1 4.03Å; F773-Y809 HydrophobicContact CE2-CE1 4.49Å; F773-Y809 HydrophobicContact CZ-CD1 4.26Å; F773-Y809 HydrophobicContact CZ-CE1 4.26Å; F807-Y809 PolarHBondContact O-N 2.99Å; Y809-S811 PolarHBondContact O-N 3.44Å; Y809-S811 VanDerWaalsContact O-N 3.09Å; Y809-L812 PolarHBondContact O-N 3.43Å; Y809-T813 PolarHBondContact O-N 3.49Å; Y809-T813 VanDerWaalsContact O-N 3.11Å
810R92.5Very high88Confident70 Ų7051.8 Ų51.826%0.26426%0.261SS..Hα-helixtrans-61.2-13.9174.1-78.1-162.8176-82.75.1115.4V265 R718 H808 L812 T813 D814V265-R810 PolarHBondContact O-NH1 2.71Å; V265-R810 PolarHBondContact O-NH2 2.81Å; R718-R810 PolarHBondContact NH1-O 3.39Å; H808-R810 PolarHBondContact O-N 3.37Å; R810-L812 VanDerWaalsContact C-N 3.32Å; R810-T813 WeakPolarHBondContact CA-OG1 3.41Å; R810-D814 WeakPolarHBondContact CB-OD2 3.43Å; R810-D814 VanDerWaalsContact CD-OD2 3.23Å; R810-D814 WeakPolarHBondContact CD-OD2 3.19Å; R810-D814 WeakPolarHBondContact CG-OD2 3.16Å; R810-D814 IonicContact CZ-OD2 3.36Å; R810-D814 IonicContact NE-OD2 3.65Å; R810-D814 IonicContact NH1-OD1 2.67Å; R810-D814 PolarHBondContact NH1-OD1 2.69Å; R810-D814 IonicContact NH1-OD2 3.36Å; R810-D814 PolarHBondContact NH1-OD2 3.15Å; R810-D814 WeakPolarHBondContact O-CB 3.28Å; R810-D814 PolarHBondContact O-N 2.99Å
811S90.8Very high86.8Confident34 Ų3454.3 Ų54.324%0.23828%0.28CS..Hα-helixtrans-78-16.8171.460.80000113.8A715 K716 H808 Y809A715-S811 VanDerWaalsContact C-OG 3.23Å; A715-S811 WeakPolarHBondContact CA-OG 3.1Å; K716-S811 WeakPolarHBondContact O-CB 3.48Å; K716-S811 PolarHBondContact O-OG 2.98Å; H808-S811 WeakPolarHBondContact O-CB 3.41Å; H808-S811 PolarHBondContact O-N 3.48Å; H808-S811 PolarHBondContact O-OG 3.13Å; Y809-S811 PolarHBondContact O-N 3.44Å; Y809-S811 VanDerWaalsContact O-N 3.09Å
812L91.2Very high85.5Confident6 Ų658.2 Ų58.23%0.03131%0.312CS..Hα-helixtrans-106.6-23.9175.3-55.2-176.8000112.4A708 I713 A715 L758 V801 F807 Y809 R810 F829A708-L812 HydrophobicContact CB-CD1 4.05Å; I713-L812 HydrophobicContact CG2-CD2 3.66Å; A715-L812 HydrophobicContact CB-CD1 4.3Å; A715-L812 HydrophobicContact CB-CG 4.3Å; L758-L812 HydrophobicContact CD2-CB 4.09Å; V801-L812 HydrophobicContact CG1-CD1 4.48Å; F807-L812 HydrophobicContact CE2-CD1 3.71Å; F807-L812 HydrophobicContact CZ-CD1 3.78Å; Y809-L812 PolarHBondContact O-N 3.43Å; R810-L812 VanDerWaalsContact C-N 3.32Å; L812-F829 HydrophobicContact CB-CD2 4.01Å; L812-F829 HydrophobicContact CB-CE2 4.04Å; L812-F829 HydrophobicContact CD2-CE1 4.23Å; L812-F829 HydrophobicContact CD2-CE2 4.12Å; L812-F829 HydrophobicContact CD2-CZ 3.88Å; L812-F829 WeakPolarHBondContact O-CD2 3.3Å
813T92.8Very high84.5Confident0 Ų059.8 Ų59.80%032%0.321CS..Hα-helixtrans-93.5-20.7-179.669.10000114.9T753 T754 D755 L758 L759 Y809 R810T753-T813 CarbonylContact C-O 3.5Å; T753-T813 WeakPolarHBondContact CA-O 3.29Å; T754-T813 PolarHBondContact N-O 2.9Å; T754-T813 PolarHBondContact OG1-O 3.34Å; D755-T813 PolarHBondContact N-O 2.95Å; L758-T813 HydrophobicContact CB-CG2 4.01Å; L758-T813 HydrophobicContact CD2-CG2 3.92Å; L758-T813 HydrophobicContact CG-CG2 3.79Å; L759-T813 HydrophobicContact CB-CG2 3.75Å; L759-T813 HydrophobicContact CD1-CG2 4.24Å; L759-T813 HydrophobicContact CG-CG2 4.5Å; Y809-T813 PolarHBondContact O-N 3.49Å; Y809-T813 VanDerWaalsContact O-N 3.11Å; R810-T813 WeakPolarHBondContact CA-OG1 3.41Å
814D92.1Very high83.7Confident10 Ų1062.2 Ų62.25%0.05333%0.33CS..EExtended strand (participates in β ladder)trans-122.8127.8-173.5-48.1-31.2000110.5A267 R718 Y752 T753 R810A267-D814 HydrophobicContact CB-CB 4.06Å; R718-D814 VanDerWaalsContact CZ-O 3.29Å; R718-D814 PolarHBondContact NH1-O 3.25Å; R718-D814 PolarHBondContact NH2-O 2.98Å; Y752-D814 CarbonylContact O-C 3.57Å; Y752-D814 VanDerWaalsContact O-CA 3.31Å; Y752-D814 WeakPolarHBondContact O-CA 3.42Å; T753-D814 PolarHBondContact OG1-OD1 3.3Å; R810-D814 WeakPolarHBondContact CB-OD2 3.43Å; R810-D814 VanDerWaalsContact CD-OD2 3.23Å; R810-D814 WeakPolarHBondContact CD-OD2 3.19Å; R810-D814 WeakPolarHBondContact CG-OD2 3.16Å; R810-D814 IonicContact CZ-OD2 3.36Å; R810-D814 IonicContact NE-OD2 3.65Å; R810-D814 IonicContact NH1-OD1 2.67Å; R810-D814 PolarHBondContact NH1-OD1 2.69Å; R810-D814 IonicContact NH1-OD2 3.36Å; R810-D814 PolarHBondContact NH1-OD2 3.15Å; R810-D814 WeakPolarHBondContact O-CB 3.28Å; R810-D814 PolarHBondContact O-N 2.99Å
815S88Confident82.8Confident25 Ų2557.5 Ų57.518%0.17532%0.317CS..EExtended strand (participates in β ladder)trans-118.5159.2-175.4174.60000110.9L751 Y752 T754 E817L751-S815 CarbonylContact C-O 3.21Å; L751-S815 WeakPolarHBondContact CA-O 3.4Å; Y752-S815 PolarHBondContact N-O 2.82Å; Y752-S815 PolarHBondContact O-N 2.96Å; T754-S815 VanDerWaalsContact CG2-CB 3.44Å; S815-E817 VanDerWaalsContact CB-O 3.26Å; S815-E817 WeakPolarHBondContact CB-O 3.37Å; S815-E817 PolarHBondContact OG-N 3.37Å; S815-E817 VanDerWaalsContact OG-N 3.08Å; S815-E817 PolarHBondContact OG-O 2.65Å
816E83.6Confident81.8Confident104 Ų10459.2 Ų59.249%0.48633%0.325SS..SBendtrans-86.9-18.5171.8-73.4157.4-12600111.9R718 L751R718-E816 IonicContact CZ-OE1 3.66Å; R718-E816 IonicContact NE-OE1 3.6Å; R718-E816 PolarHBondContact NE-OE1 3.37Å; R718-E816 IonicContact NH2-OE1 3.7Å; R718-E816 PolarHBondContact NH2-OE1 3.41Å; L751-E816 HydrophobicContact CD2-CG 3.68Å; L751-E816 HydrophobicContact CG-CG 4.44Å
817E79Confident81Confident115 Ų11555 Ų5554%0.53731%0.313SS..SBendtrans-97140.3166.1-65.5-175.2175.800111.2S815 N823S815-E817 VanDerWaalsContact CB-O 3.26Å; S815-E817 WeakPolarHBondContact CB-O 3.37Å; S815-E817 PolarHBondContact OG-N 3.37Å; S815-E817 VanDerWaalsContact OG-N 3.08Å; S815-E817 PolarHBondContact OG-O 2.65Å; E817-N823 PolarHBondContact OE2-ND2 3.3Å; E817-N823 VanDerWaalsContact OE2-ND2 3.11Å
818P75.9Confident80.7Confident78 Ų7855.9 Ų55.951%0.50632%0.317SS..  trans-68.9152.7168.331.5-35.2000111.1Y752 S820Y752-P818 HydrophobicContact CD1-CB 4.12Å; Y752-P818 HydrophobicContact CD2-CB 4.2Å; Y752-P818 HydrophobicContact CE1-CB 4.44Å; Y752-P818 HydrophobicContact CG-CB 4Å; P818-S820 PolarHBondContact O-N 2.92Å; P818-S820 VanDerWaalsContact O-N 3.09Å
819L74.3Confident80.5Confident76 Ų7655.4 Ų55.440%0.39832%0.315SS..  trans-62.2114.1176.8-84.3177.1000111.8T754 V827 I828T754-L819 HydrophobicContact CG2-CD2 4.22Å; T754-L819 HydrophobicContact CG2-CG 3.79Å; T754-L819 WeakPolarHBondContact O-CD1 3.13Å; L819-V827 HydrophobicContact CD2-CB 3.93Å; L819-V827 HydrophobicContact CD2-CG1 3.82Å; L819-I828 HydrophobicContact CD1-CD1 4.02Å; L819-I828 HydrophobicContact CD1-CG1 4.3Å; L819-I828 HydrophobicContact CD2-CG1 4.2Å
820S75.4Confident80.2Confident50 Ų5055.2 Ų55.235%0.3531%0.314SS..  trans-90.5160.3162.376.40000110.5P818 A822 N823 K824P818-S820 PolarHBondContact O-N 2.92Å; P818-S820 VanDerWaalsContact O-N 3.09Å; S820-A822 PolarHBondContact O-N 2.82Å; S820-A822 PolarHBondContact OG-N 2.85Å; S820-N823 PolarHBondContact O-N 2.99Å; S820-N823 WeakPolarHBondContact OG-CB 3.38Å; S820-N823 VanDerWaalsContact OG-CG 3.27Å; S820-N823 PolarHBondContact OG-N 3.3Å; S820-N823 PolarHBondContact OG-OD1 2.81Å; S820-K824 PolarHBondContact O-N 3.24Å
821L67.8Low79.9Confident168 Ų16854.9 Ų54.988%0.8832%0.318SS*.SBendtrans-61.9-33.7173.5-115.874.7000112.3
822A64.1Low79.6Confident82 Ų8254.4 Ų54.468%0.67831%0.312SS*.THydrogen-bonded Turntrans-69-38.217900000112.4S820S820-A822 PolarHBondContact O-N 2.82Å; S820-A822 PolarHBondContact OG-N 2.85Å
823N70.4Confident79Confident50 Ų5060.7 Ų60.727%0.26735%0.346SS..THydrogen-bonded Turntrans-89.82.2-175.1-60.77.2000112.9E817 S820 S825 S826 V827E817-N823 PolarHBondContact OE2-ND2 3.3Å; E817-N823 VanDerWaalsContact OE2-ND2 3.11Å; S820-N823 PolarHBondContact O-N 2.99Å; S820-N823 WeakPolarHBondContact OG-CB 3.38Å; S820-N823 VanDerWaalsContact OG-CG 3.27Å; S820-N823 PolarHBondContact OG-N 3.3Å; S820-N823 PolarHBondContact OG-OD1 2.81Å; N823-S825 PolarHBondContact O-N 3.38Å; N823-S826 PolarHBondContact O-N 3.49Å; N823-S826 PolarHBondContact O-OG 2.89Å; N823-S826 VanDerWaalsContact O-OG 3.11Å; N823-V827 HydrophobicContact CB-CG2 4.06Å; N823-V827 WeakPolarHBondContact O-CB 3.12Å; N823-V827 WeakPolarHBondContact O-CG2 3.48Å; N823-V827 PolarHBondContact O-N 2.9Å; N823-V827 VanDerWaalsContact O-N 3.1Å
824K70.7Confident78.6Confident77 Ų7764.5 Ų64.534%0.33537%0.366SS..Hα-helixtrans-54.3-50.9-174.5-170.1-141.4169-153.30112.1S820 I828 D831 D833S820-K824 PolarHBondContact O-N 3.24Å; K824-I828 HydrophobicContact CG-CD1 3.75Å; K824-I828 HydrophobicContact CG-CG1 4.43Å; K824-I828 WeakPolarHBondContact O-CB 3.38Å; K824-I828 WeakPolarHBondContact O-CG1 3.45Å; K824-I828 PolarHBondContact O-N 2.86Å; K824-I828 VanDerWaalsContact O-N 3.08Å; K824-D831 WeakPolarHBondContact CE-OD2 3.42Å; K824-D831 IonicContact NZ-OD2 3.59Å; K824-D831 PolarHBondContact NZ-OD2 3.41Å; K824-D833 IonicContact NZ-OD2 3.1Å
825S67Low78.2Confident84 Ų8470.3 Ų70.359%0.58740%0.397SS*.Hα-helixtrans-68.4-36.5-174.654.40000113R711 N823R711-S825 PolarHBondContact NH1-O 2.92Å; R711-S825 VanDerWaalsContact NH1-O 3.07Å; R711-S825 PolarHBondContact NH2-O 2.8Å; N823-S825 PolarHBondContact O-N 3.38Å
826S67.6Low78.2Confident65 Ų6576.3 Ų76.346%0.45542%0.422SS..Hα-helixtrans-78.1-29.9-178.5570000113.5R711 N823R711-S826 PolarHBondContact NH1-O 3.02Å; N823-S826 PolarHBondContact O-N 3.49Å; N823-S826 PolarHBondContact O-OG 2.89Å; N823-S826 VanDerWaalsContact O-OG 3.11Å
827V75.8Confident78.3Confident32 Ų3275 Ų7519%0.19441%0.413CS..Hα-helixtrans-96.7-29.6-173.91780000113.6T754 L819 N823 F829T754-V827 HydrophobicContact CG2-CG1 3.8Å; T754-V827 WeakPolarHBondContact OG1-CG1 3.47Å; L819-V827 HydrophobicContact CD2-CB 3.93Å; L819-V827 HydrophobicContact CD2-CG1 3.82Å; N823-V827 HydrophobicContact CB-CG2 4.06Å; N823-V827 WeakPolarHBondContact O-CB 3.12Å; N823-V827 WeakPolarHBondContact O-CG2 3.48Å; N823-V827 PolarHBondContact O-N 2.9Å; N823-V827 VanDerWaalsContact O-N 3.1Å; V827-F829 VanDerWaalsContact O-CD2 3.31Å; V827-F829 WeakPolarHBondContact O-CD2 3.48Å; V827-F829 VanDerWaalsContact O-CE2 3.3Å; V827-F829 WeakPolarHBondContact O-CE2 3.31Å
828I87.5Confident78.6Confident19 Ų1970 Ų7010%0.09739%0.391CS..  trans-85140.3175.3-57.9-173.9000109.4R711 D755 L819 K824 D831R711-I828 PolarHBondContact NH1-O 3.3Å; D755-I828 WeakPolarHBondContact OD2-CG2 3.43Å; L819-I828 HydrophobicContact CD1-CD1 4.02Å; L819-I828 HydrophobicContact CD1-CG1 4.3Å; L819-I828 HydrophobicContact CD2-CG1 4.2Å; K824-I828 HydrophobicContact CG-CD1 3.75Å; K824-I828 HydrophobicContact CG-CG1 4.43Å; K824-I828 WeakPolarHBondContact O-CB 3.38Å; K824-I828 WeakPolarHBondContact O-CG1 3.45Å; K824-I828 PolarHBondContact O-N 2.86Å; K824-I828 VanDerWaalsContact O-N 3.08Å; I828-D831 HydrophobicContact CG2-CB 3.89Å
829F89.5Confident79.1Confident13 Ų1370.9 Ų70.96%0.05739%0.39CS..SBendtrans-114.3-29-178.8-65.4-90.8000112.4A704 T707 A708 I713 D755 L758 L812 V827A704-F829 WeakPolarHBondContact CA-O 3.32Å; A704-F829 HydrophobicContact CB-CB 3.76Å; T707-F829 WeakPolarHBondContact CB-O 3.49Å; T707-F829 HydrophobicContact CG2-CB 4.44Å; T707-F829 HydrophobicContact CG2-CD1 4.08Å; T707-F829 PolarHBondContact OG1-O 3.17Å; A708-F829 HydrophobicContact CB-CD1 3.85Å; A708-F829 HydrophobicContact CB-CE1 3.93Å; I713-F829 HydrophobicContact CD1-CE1 3.87Å; I713-F829 HydrophobicContact CD1-CZ 3.84Å; I713-F829 HydrophobicContact CG2-CZ 4.37Å; D755-F829 PolarHBondContact OD2-N 2.74Å; L758-F829 HydrophobicContact CD2-CB 4.31Å; L812-F829 HydrophobicContact CB-CD2 4.01Å; L812-F829 HydrophobicContact CB-CE2 4.04Å; L812-F829 HydrophobicContact CD2-CE1 4.23Å; L812-F829 HydrophobicContact CD2-CE2 4.12Å; L812-F829 HydrophobicContact CD2-CZ 3.88Å; L812-F829 WeakPolarHBondContact O-CD2 3.3Å; V827-F829 VanDerWaalsContact O-CD2 3.31Å; V827-F829 WeakPolarHBondContact O-CD2 3.48Å; V827-F829 VanDerWaalsContact O-CE2 3.3Å; V827-F829 WeakPolarHBondContact O-CE2 3.31Å
830S89.2Confident79.7Confident1 Ų171.8 Ų71.81%0.00739%0.393CS..SBendtrans-77.7-23.7-179.7710000114.8R703 D755R703-S830 PolarHBondContact NH1-O 2.96Å; R703-S830 PolarHBondContact NH2-O 3.18Å; D755-S830 PolarHBondContact OD1-OG 3.37Å; D755-S830 PolarHBondContact OD2-N 3.1Å; D755-S830 PolarHBondContact OD2-OG 3.13Å
831D86.1Confident80.1Confident63 Ų6370.3 Ų70.334%0.33738%0.381SS..  trans-79.8127.8171.6-91-7.6000109.3K824 I828K824-D831 WeakPolarHBondContact CE-OD2 3.42Å; K824-D831 IonicContact NZ-OD2 3.59Å; K824-D831 PolarHBondContact NZ-OD2 3.41Å; I828-D831 HydrophobicContact CG2-CB 3.89Å
832I84.6Confident80.9Confident24 Ų2464.4 Ų64.412%0.12335%0.352CS..  trans-130.2107166-63.7179.2000102.8R703 D834 Y837 L838 L841R703-I832 HydrophobicContact CB-CD1 3.82Å; R703-I832 HydrophobicContact CB-CG1 4.48Å; R703-I832 HydrophobicContact CG-CD1 3.96Å; I832-D834 HydrophobicContact CG2-CB 4.09Å; I832-D834 PolarHBondContact O-N 2.94Å; I832-Y837 HydrophobicContact CG2-CD1 3.99Å; I832-L838 HydrophobicContact CB-CD2 4.1Å; I832-L838 HydrophobicContact CB-CG 4.24Å; I832-L838 HydrophobicContact CD1-CD2 4.29Å; I832-L838 HydrophobicContact CG2-CD2 4.2Å; I832-L838 HydrophobicContact CG2-CG 3.95Å; I832-L841 HydrophobicContact CD1-CD1 3.87Å
833D76.9Confident81.8Confident139 Ų13965.8 Ų65.874%0.74334%0.339SS*.  trans-82.918.9-175.6-65.3-31000111.8K824K824-D833 IonicContact NZ-OD2 3.1Å
834D85.1Confident82.1Confident80 Ų8064.2 Ų64.243%0.42834%0.335SS..  trans-119.1103.3-174-172.8-35000109.9I832 E836 Y837 L838I832-D834 HydrophobicContact CG2-CB 4.09Å; I832-D834 PolarHBondContact O-N 2.94Å; D834-E836 VanDerWaalsContact C-N 3.31Å; D834-E836 PolarHBondContact O-N 3.41Å; D834-E836 PolarHBondContact OD1-N 3.04Å; D834-Y837 PolarHBondContact OD1-N 2.98Å; D834-L838 WeakPolarHBondContact O-CB 3.49Å; D834-L838 WeakPolarHBondContact O-CG 3.19Å; D834-L838 PolarHBondContact O-N 3.13Å; D834-L838 VanDerWaalsContact O-N 3.07Å
835D84.7Confident82Confident131 Ų13161.3 Ų61.370%0.70133%0.326SS*.Hα-helixtrans-69.5-24.9-178.3-83.5-36000113.2L839D835-L839 PolarHBondContact O-N 3.36Å; D835-L839 VanDerWaalsContact O-N 3.09Å
836E86.1Confident82.3Confident151 Ų15161.3 Ų61.371%0.70632%0.32SS*.Hα-helixtrans-77.3-49.6-179.5-176.5160.4-138.800110D834 L838 L839 E840D834-E836 VanDerWaalsContact C-N 3.31Å; D834-E836 PolarHBondContact O-N 3.41Å; D834-E836 PolarHBondContact OD1-N 3.04Å; E836-L838 VanDerWaalsContact C-N 3.26Å; E836-L838 PolarHBondContact O-N 2.77Å; E836-L839 WeakPolarHBondContact O-CA 3.38Å; E836-L839 WeakPolarHBondContact O-CB 3.48Å; E836-L839 PolarHBondContact O-N 3.13Å; E836-E840 PolarHBondContact O-N 3.34Å
837Y87.2Confident82.1Confident76 Ų7658.9 Ų58.930%0.29830%0.304SS..Hα-helixtrans-61.7-33.4172.3-170.4-121.1000112.4V706 D710 I832 D834 L839 E840 L841V706-Y837 HydrophobicContact CG1-CE1 3.96Å; V706-Y837 WeakPolarHBondContact CG1-OH 3.4Å; D710-Y837 PolarHBondContact OD2-OH 3.14Å; I832-Y837 HydrophobicContact CG2-CD1 3.99Å; D834-Y837 PolarHBondContact OD1-N 2.98Å; Y837-L839 VanDerWaalsContact C-N 3.33Å; Y837-E840 WeakPolarHBondContact CD2-OE2 3.4Å; Y837-E840 PolarHBondContact O-N 3.35Å; Y837-L841 HydrophobicContact CD1-CD1 3.87Å; Y837-L841 HydrophobicContact CE1-CD1 3.75Å; Y837-L841 HydrophobicContact CE1-CG 4.32Å; Y837-L841 WeakPolarHBondContact O-CB 3.37Å; Y837-L841 VanDerWaalsContact O-CG 3.23Å; Y837-L841 WeakPolarHBondContact O-CG 3.36Å; Y837-L841 PolarHBondContact O-N 3.43Å
838L85.5Confident81.3Confident12 Ų1262.2 Ų62.26%0.06332%0.319CS..Hα-helixtrans-66.2-32.4170.4-79.2175.7000113.2L210 F699 R703 I832 D834 E836 L841 V842L210-L838 HydrophobicContact CD1-CB 4.28Å; L210-L838 HydrophobicContact CD2-CB 3.95Å; L210-L838 HydrophobicContact CD2-CD2 4.28Å; F699-L838 HydrophobicContact CZ-CD2 4.46Å; R703-L838 VanDerWaalsContact CD-CD2 3.45Å; R703-L838 HydrophobicContact CG-CD2 4.13Å; I832-L838 HydrophobicContact CB-CD2 4.1Å; I832-L838 HydrophobicContact CB-CG 4.24Å; I832-L838 HydrophobicContact CD1-CD2 4.29Å; I832-L838 HydrophobicContact CG2-CD2 4.2Å; I832-L838 HydrophobicContact CG2-CG 3.95Å; D834-L838 WeakPolarHBondContact O-CB 3.49Å; D834-L838 WeakPolarHBondContact O-CG 3.19Å; D834-L838 PolarHBondContact O-N 3.13Å; D834-L838 VanDerWaalsContact O-N 3.07Å; E836-L838 VanDerWaalsContact C-N 3.26Å; E836-L838 PolarHBondContact O-N 2.77Å; L838-L841 HydrophobicContact CD2-CD1 4.45Å; L838-V842 WeakPolarHBondContact O-CG2 3.39Å; L838-V842 PolarHBondContact O-N 3.11Å
839L86.1Confident80Confident95 Ų9565.6 Ų65.650%0.49734%0.337SS..Hα-helixtrans-69.3-46.2173.6-132.774.8000111L210 D835 E836 Y837 L841 V842 R843L210-L839 HydrophobicContact CD1-CD1 3.78Å; D835-L839 PolarHBondContact O-N 3.36Å; D835-L839 VanDerWaalsContact O-N 3.09Å; E836-L839 WeakPolarHBondContact O-CA 3.38Å; E836-L839 WeakPolarHBondContact O-CB 3.48Å; E836-L839 PolarHBondContact O-N 3.13Å; Y837-L839 VanDerWaalsContact C-N 3.33Å; L839-L841 VanDerWaalsContact C-N 3.35Å; L839-L841 PolarHBondContact O-N 2.94Å; L839-V842 PolarHBondContact O-N 3.09Å; L839-R843 WeakPolarHBondContact O-CB 3.27Å; L839-R843 WeakPolarHBondContact O-CG 3.49Å; L839-R843 PolarHBondContact O-N 2.85Å
840E85.5Confident78.4Confident96 Ų9668.5 Ų68.545%0.44935%0.353SS..Hα-helixtrans-56-47172.7-68.6-176.5173.500111.6E836 Y837 V842 R843 G844E836-E840 PolarHBondContact O-N 3.34Å; Y837-E840 WeakPolarHBondContact CD2-OE2 3.4Å; Y837-E840 PolarHBondContact O-N 3.35Å; E840-V842 PolarHBondContact O-N 2.74Å; E840-R843 CarbonylContact O-C 3.56Å; E840-R843 WeakPolarHBondContact O-CA 3.39Å; E840-R843 PolarHBondContact O-N 3.43Å; E840-G844 PolarHBondContact O-N 3.41Å
841L84.8Confident76.8Confident18 Ų1875.2 Ų75.29%0.09439%0.389CS..Hα-helixtrans-60.8-27.9179.1-79.2170.5000113.7F702 V706 I832 Y837 L838 L839F702-L841 HydrophobicContact CE1-CB 4.27Å; F702-L841 HydrophobicContact CE1-CD2 3.9Å; F702-L841 HydrophobicContact CZ-CD2 3.9Å; V706-L841 HydrophobicContact CB-CD2 4.46Å; V706-L841 HydrophobicContact CG1-CD2 4.14Å; V706-L841 HydrophobicContact CG2-CD2 3.8Å; I832-L841 HydrophobicContact CD1-CD1 3.87Å; Y837-L841 HydrophobicContact CD1-CD1 3.87Å; Y837-L841 HydrophobicContact CE1-CD1 3.75Å; Y837-L841 HydrophobicContact CE1-CG 4.32Å; Y837-L841 WeakPolarHBondContact O-CB 3.37Å; Y837-L841 VanDerWaalsContact O-CG 3.23Å; Y837-L841 WeakPolarHBondContact O-CG 3.36Å; Y837-L841 PolarHBondContact O-N 3.43Å; L838-L841 HydrophobicContact CD2-CD1 4.45Å; L839-L841 VanDerWaalsContact C-N 3.35Å; L839-L841 PolarHBondContact O-N 2.94Å
842V85.4Confident75.1Confident44 Ų4479.7 Ų79.727%0.26741%0.408SS..Hα-helixtrans-84.7-34.4173.1174.30000111.6L209 L210 F699 L787 L838 L839 E840 G844L209-V842 HydrophobicContact CB-CG2 4.38Å; L209-V842 HydrophobicContact CD1-CG1 4.18Å; L209-V842 HydrophobicContact CD1-CG2 4.25Å; L210-V842 HydrophobicContact CD2-CG2 3.85Å; L210-V842 HydrophobicContact CG-CG2 4.22Å; F699-V842 HydrophobicContact CE2-CG2 3.8Å; F699-V842 HydrophobicContact CZ-CG2 3.74Å; L787-V842 HydrophobicContact CD2-CG1 4.3Å; L838-V842 WeakPolarHBondContact O-CG2 3.39Å; L838-V842 PolarHBondContact O-N 3.11Å; L839-V842 PolarHBondContact O-N 3.09Å; E840-V842 PolarHBondContact O-N 2.74Å; V842-G844 VanDerWaalsContact C-N 3.3Å
843R82.4Confident73.3Confident112 Ų11282.8 Ų82.842%0.42342%0.424SS..Hα-helixtrans-72.1-17.7173.2-74.2170.4143.2-122.2-21.8113.7P788 L839 E840 G845 D846 A847 D850P788-R843 WeakPolarHBondContact CG-O 3.4Å; L839-R843 WeakPolarHBondContact O-CB 3.27Å; L839-R843 WeakPolarHBondContact O-CG 3.49Å; L839-R843 PolarHBondContact O-N 2.85Å; E840-R843 CarbonylContact O-C 3.56Å; E840-R843 WeakPolarHBondContact O-CA 3.39Å; E840-R843 PolarHBondContact O-N 3.43Å; R843-G845 PolarHBondContact O-N 2.97Å; R843-D846 WeakPolarHBondContact O-CB 3.36Å; R843-D846 PolarHBondContact O-N 2.82Å; R843-A847 HydrophobicContact CB-CB 3.91Å; R843-D850 IonicContact CZ-OD2 3.39Å; R843-D850 IonicContact NH1-OD2 3.79Å; R843-D850 PolarHBondContact NH1-OD2 3.35Å; R843-D850 IonicContact NH2-OD2 3.09Å; R843-D850 PolarHBondContact NH2-OD2 3.35Å
844G77.2Confident71.6Confident17 Ų1784.2 Ų84.218%0.17543%0.432CS..G310 helixtrans54.9-128.3172.200000113.5E840 V842 D846E840-G844 PolarHBondContact O-N 3.41Å; V842-G844 VanDerWaalsContact C-N 3.3Å; G844-D846 VanDerWaalsContact C-N 3.26Å; G844-D846 PolarHBondContact O-N 3.04Å
845G68.4Low69.3Low15 Ų1583.3 Ų83.316%0.15544%0.435CS..G310 helixtrans-70.3-1917700000114.4P788 R843 A847 I848P788-G845 PolarHBondContact O-N 3.43Å; R843-G845 PolarHBondContact O-N 2.97Å; G845-A847 VanDerWaalsContact C-N 3.33Å; G845-I848 PolarHBondContact O-N 3.22Å
846D71.8Confident66.9Low84 Ų8483.1 Ų83.145%0.44943%0.43SS..G310 helixtrans-76.3-23.4-177-56.5-20.8000111.5P788 R843 G844 I848 L849 D850P788-D846 WeakPolarHBondContact CB-OD2 3.46Å; P788-D846 HydrophobicContact CG-CB 4.49Å; P788-D846 VanDerWaalsContact CG-OD2 3.32Å; P788-D846 WeakPolarHBondContact CG-OD2 3.44Å; R843-D846 WeakPolarHBondContact O-CB 3.36Å; R843-D846 PolarHBondContact O-N 2.82Å; G844-D846 VanDerWaalsContact C-N 3.26Å; G844-D846 PolarHBondContact O-N 3.04Å; D846-I848 VanDerWaalsContact C-N 3.28Å; D846-I848 PolarHBondContact O-N 2.75Å; D846-L849 WeakPolarHBondContact O-CB 3.47Å; D846-L849 PolarHBondContact O-N 3.36Å; D846-D850 PolarHBondContact O-N 3.1Å
847A65Low64.7Low14 Ų1481.9 Ų81.912%0.11644%0.435CS..Hα-helixtrans-57.7-41.7171.600000112R843 G845 L849 D850 D851R843-A847 HydrophobicContact CB-CB 3.91Å; G845-A847 VanDerWaalsContact C-N 3.33Å; A847-L849 PolarHBondContact O-N 3.02Å; A847-D850 PolarHBondContact O-N 3.11Å; A847-D851 PolarHBondContact O-N 3.06Å
848I59.4Low62.1Low102 Ų10284.3 Ų84.352%0.52346%0.463SS..Hα-helixtrans-69-16.8178.9-51171.4000111.5G845 D846G845-I848 PolarHBondContact O-N 3.22Å; D846-I848 VanDerWaalsContact C-N 3.28Å; D846-I848 PolarHBondContact O-N 2.75Å
849L58.2Low59.6Low91 Ų9186.9 Ų86.948%0.47649%0.493SS..Hα-helixtrans-88.3-39.9174.6-57.8179.2000111.3D846 A847 D851 Q852 I853D846-L849 WeakPolarHBondContact O-CB 3.47Å; D846-L849 PolarHBondContact O-N 3.36Å; A847-L849 PolarHBondContact O-N 3.02Å; L849-D851 PolarHBondContact O-N 3.1Å; L849-Q852 WeakPolarHBondContact O-CA 3.38Å; L849-Q852 PolarHBondContact O-N 3.37Å; L849-I853 HydrophobicContact CB-CD1 4.04Å; L849-I853 VanDerWaalsContact O-CD1 3.25Å; L849-I853 WeakPolarHBondContact O-CD1 3.41Å; L849-I853 WeakPolarHBondContact O-CG1 3.49Å; L849-I853 PolarHBondContact O-N 3.39Å
850D57.6Low57Low73 Ų7387.1 Ų87.139%0.3950%0.502SS..Hα-helixtrans-56-38.1175.9-90.520.3000111.9R843 D846 A847 Q852 I853R843-D850 IonicContact CZ-OD2 3.39Å; R843-D850 IonicContact NH1-OD2 3.79Å; R843-D850 PolarHBondContact NH1-OD2 3.35Å; R843-D850 IonicContact NH2-OD2 3.09Å; R843-D850 PolarHBondContact NH2-OD2 3.35Å; D846-D850 PolarHBondContact O-N 3.1Å; A847-D850 PolarHBondContact O-N 3.11Å; D850-Q852 PolarHBondContact O-N 3.49Å; D850-I853 PolarHBondContact O-N 3.25Å
851D54.6Low54.4Low142 Ų14289.9 Ų89.976%0.75952%0.518SS*.THydrogen-bonded Turntrans-59.6-12.6173.3-71.4-18.4000114.7A847 L849A847-D851 PolarHBondContact O-N 3.06Å; L849-D851 PolarHBondContact O-N 3.1Å
852Q50.6Low52Low157 Ų15795.3 Ų95.373%0.73455%0.546SS*.THydrogen-bonded Turntrans-113.76.7176.2-57.8-169.8-2.600112.5L849 D850L849-Q852 WeakPolarHBondContact O-CA 3.38Å; L849-Q852 PolarHBondContact O-N 3.37Å; D850-Q852 PolarHBondContact O-N 3.49Å
853I46.5Very low49.5Very low89 Ų8999 Ų9946%0.45657%0.569SS.*  trans-115.657.7-166.2-74.8170.4000112.1L849 D850 A855L849-I853 HydrophobicContact CB-CD1 4.04Å; L849-I853 VanDerWaalsContact O-CD1 3.25Å; L849-I853 WeakPolarHBondContact O-CD1 3.41Å; L849-I853 WeakPolarHBondContact O-CG1 3.49Å; L849-I853 PolarHBondContact O-N 3.39Å; D850-I853 PolarHBondContact O-N 3.25Å; I853-A855 WeakPolarHBondContact CG2-O 3.31Å; I853-A855 PolarHBondContact O-N 2.88Å
854D41.9Very low46.9Very low169 Ų169101 Ų10190%0.90459%0.587SS**  trans-69.6-0.4143.2-91.4-44.5000111.8
855A36.8Very low44.6Very low61 Ų61108.4 Ų108.450%0.50462%0.617SS.*SBendtrans-94108.8177.900000111.6I853I853-A855 WeakPolarHBondContact CG2-O 3.31Å; I853-A855 PolarHBondContact O-N 2.88Å
856Q35.1Very low42.9Very low128 Ų128117.4 Ų117.460%0.59865%0.652SS**  trans-33146.9-174.1-67-167.3-9.100117.6S858Q856-S858 VanDerWaalsContact C-N 3.27Å; Q856-S858 PolarHBondContact O-N 2.79Å
857P37.9Very low41Very low125 Ų125117.9 Ų117.981%0.81266%0.662SS**  trans-69.974.3-179.831.3-37.6000113.5G859P857-G859 PolarHBondContact O-N 2.94Å
858S34.3Very low39.6Very low126 Ų126120.4 Ų120.488%0.88169%0.689SS**THydrogen-bonded Turntrans-75.780.4176.6174.90000111.2Q856Q856-S858 VanDerWaalsContact C-N 3.27Å; Q856-S858 PolarHBondContact O-N 2.79Å
859G32.3Very low38.4Very low66 Ų66125 Ų12568%0.6871%0.709SS**THydrogen-bonded Turntrans-169.22-17900000117.8P857 I861P857-G859 PolarHBondContact O-N 2.94Å; G859-I861 PolarHBondContact O-N 3.33Å
860S32.1Very low37.3Very low100 Ų100126 Ų12670%0.69972%0.723SS**  trans-71.6101.6173.346.10000110.4I862S860-I862 VanDerWaalsContact C-N 3.31Å; S860-I862 PolarHBondContact O-N 3.42Å
861I31.3Very low36.1Very low154 Ų154128.5 Ų128.579%0.7974%0.741SS**  trans-68.192.2172.8-58.1177.7000108.5G859 V863G859-I861 PolarHBondContact O-N 3.33Å; I861-V863 HydrophobicContact CG2-CG2 4.03Å; I861-V863 PolarHBondContact O-N 3.16Å
862I33.6Very low35.2Very low133 Ų133129.2 Ų129.268%0.68275%0.745SS**  trans-67.499.3164.8-57.7178.7000106.6S860 L864S860-I862 VanDerWaalsContact C-N 3.31Å; S860-I862 PolarHBondContact O-N 3.42Å; I862-L864 HydrophobicContact CG2-CG 4.12Å; I862-L864 PolarHBondContact O-N 3.23Å
863V32Very low34.6Very low122 Ų122127.6 Ų127.674%0.73975%0.751SS**  trans-70.285.7168.2-177.90000107.4I861 Q865I861-V863 HydrophobicContact CG2-CG2 4.03Å; I861-V863 PolarHBondContact O-N 3.16Å; V863-Q865 VanDerWaalsContact C-N 3.26Å; V863-Q865 PolarHBondContact O-N 2.95Å
864L28.1Very low34.5Very low154 Ų154132.2 Ų132.281%0.80677%0.77SS**  trans-61.691.1168.6-93.7155.2000108.3I862 K866I862-L864 HydrophobicContact CG2-CG 4.12Å; I862-L864 PolarHBondContact O-N 3.23Å; L864-K866 VanDerWaalsContact C-N 3.34Å; L864-K866 PolarHBondContact O-N 3.4Å
865Q30.2Very low34.3Very low171 Ų171129.3 Ų129.380%0.79977%0.77SS**  trans-63.796.6172.8179.3173.8-15.600107.9V863 S867V863-Q865 VanDerWaalsContact C-N 3.26Å; V863-Q865 PolarHBondContact O-N 2.95Å; Q865-S867 PolarHBondContact O-N 3.04Å
866K31Very low34.9Very low204 Ų204132.7 Ų132.789%0.88778%0.778SS**  trans-69.877.3176.6-169.9177.7-178.2177.10109.9L864 G868L864-K866 VanDerWaalsContact C-N 3.34Å; L864-K866 PolarHBondContact O-N 3.4Å; K866-G868 PolarHBondContact O-N 3.13Å
867S33Very low35.8Very low95 Ų95132.3 Ų132.366%0.66478%0.776SS**  trans-59.6114.2165.150.50000108.4Q865Q865-S867 PolarHBondContact O-N 3.04Å
868G36Very low36.9Very low67 Ų67130.4 Ų130.469%0.69176%0.763SS**  trans-59.6140.8172.800000110.5K866K866-G868 PolarHBondContact O-N 3.13Å
869E32.5Very low38.3Very low199 Ų199130.2 Ų130.293%0.9375%0.748SS**  trans-71.5129.2-172.9-65.2153.5111.900111.6
870S35.3Very low39.7Very low110 Ų110132.5 Ų132.577%0.76974%0.741SS**  trans-147.294.5159.367.20000111.5
871V33.4Very low41.5Very low127 Ų127135.2 Ų135.277%0.7774%0.737SS**  trans50.695.3147.2-169.20000117
872N36.2Very low43.5Very low157 Ų157132 Ų13284%0.8472%0.721SS**  -165.1130.2106-105.6-36.3000112.2
873S36.6Very low45.5Very low123 Ų123132.7 Ų132.786%0.8672%0.716SS**  trans-93.3115.6177.6-55.30000110.3
874Q44.4Very low47.5Very low186 Ų186133.1 Ų133.187%0.86971%0.71SS**  trans-104.3136.5157.5-86.3178.2-41.400108.9I876Q874-I876 PolarHBondContact O-N 3.14Å
875A38.8Very low49.8Very low108 Ų108128.3 Ų128.389%0.89369%0.687SS**  trans-74.5113.7-169.800000111.3
876I48.4Very low52.2Low131 Ų131127.5 Ų127.567%0.67268%0.677SS**  trans-72.5138.3167.3-61.6170.5000108.2Q874 E880Q874-I876 PolarHBondContact O-N 3.14Å; I876-E880 HydrophobicContact CG2-CB 4.3Å
877H54.2Low54.4Low120 Ų120119.2 Ų119.256%0.55665%0.645SS**  trans-71139.2-174.5-143.9-87.6000111E879 E880 Y881H877-E879 VanDerWaalsContact C-N 3.29Å; H877-E879 IonicContact CE1-OE2 2.87Å; H877-E879 IonicContact ND1-OE2 2.68Å; H877-E879 PolarHBondContact ND1-OE2 3.21Å; H877-E879 PolarHBondContact O-N 3.02Å; H877-E880 HydrophobicContact CB-CG 4.31Å; H877-E880 PolarHBondContact O-N 3.04Å; H877-Y881 PolarHBondContact O-N 3.04Å
878P61.5Low56.3Low85 Ų85118.1 Ų118.155%0.55264%0.637SS**Hα-helixtrans-53.8-41.2-178.7-3036.8000114.4E880 Y881 L882P878-E880 PolarHBondContact O-N 2.92Å; P878-Y881 PolarHBondContact O-N 2.8Å; P878-L882 WeakPolarHBondContact O-CG 3.45Å; P878-L882 PolarHBondContact O-N 2.92Å
879E64.5Low58.5Low122 Ų122120.4 Ų120.457%0.5763%0.63SS**Hα-helixtrans-55.9-40.8173.6-8957.3-137.800114.2H877 L882 Y883H877-E879 VanDerWaalsContact C-N 3.29Å; H877-E879 IonicContact CE1-OE2 2.87Å; H877-E879 IonicContact ND1-OE2 2.68Å; H877-E879 PolarHBondContact ND1-OE2 3.21Å; H877-E879 PolarHBondContact O-N 3.02Å; E879-L882 PolarHBondContact O-N 3.06Å; E879-Y883 WeakPolarHBondContact O-CB 3.45Å; E879-Y883 PolarHBondContact O-N 3.09Å
880E60.6Low61Low114 Ų114117.2 Ų117.253%0.53361%0.609SS.*Hα-helixtrans-69-41.8-179-68.3-176.1131.700110.6I876 H877 P878 L882 Y883 H884I876-E880 HydrophobicContact CG2-CB 4.3Å; H877-E880 HydrophobicContact CB-CG 4.31Å; H877-E880 PolarHBondContact O-N 3.04Å; P878-E880 PolarHBondContact O-N 2.92Å; E880-L882 PolarHBondContact O-N 3Å; E880-Y883 PolarHBondContact O-N 3.37Å; E880-H884 PolarHBondContact O-CD2 3.3Å; E880-H884 PolarHBondContact O-N 3.49Å
881Y71.1Confident63.2Low157 Ų157116.8 Ų116.862%0.61660%0.595SS**Hα-helixtrans-60.7-45.6174.1-176.6-101.3000111.6H877 P878 Y883 H884 V885H877-Y881 PolarHBondContact O-N 3.04Å; P878-Y881 PolarHBondContact O-N 2.8Å; Y881-Y883 VanDerWaalsContact C-N 3.31Å; Y881-Y883 PolarHBondContact O-N 3.23Å; Y881-H884 PolarHBondContact O-N 2.88Å; Y881-V885 HydrophobicContact CD1-CG2 4.25Å; Y881-V885 HydrophobicContact CE1-CG2 3.86Å; Y881-V885 HydrophobicContact CE2-CG2 4.46Å; Y881-V885 WeakPolarHBondContact O-CG2 3.48Å; Y881-V885 PolarHBondContact O-N 2.71Å
882L73.3Confident65.7Low86 Ų86116.3 Ų116.345%0.4558%0.584SS.*Hα-helixtrans-65-32.1176.2-70.7173.1000113P878 E879 E880 R886P878-L882 WeakPolarHBondContact O-CG 3.45Å; P878-L882 PolarHBondContact O-N 2.92Å; E879-L882 PolarHBondContact O-N 3.06Å; E880-L882 PolarHBondContact O-N 3Å; L882-R886 WeakPolarHBondContact O-CB 3.47Å; L882-R886 WeakPolarHBondContact O-CG 3.35Å; L882-R886 PolarHBondContact O-N 2.64Å; L882-R886 VanDerWaalsContact O-N 3.13Å
883Y74.7Confident68.1Low148 Ų148112 Ų11258%0.5857%0.566SS**Hα-helixtrans-68.6-44172.8-173.7-93.5000111.7E879 E880 Y881 R886 S887E879-Y883 WeakPolarHBondContact O-CB 3.45Å; E879-Y883 PolarHBondContact O-N 3.09Å; E880-Y883 PolarHBondContact O-N 3.37Å; Y881-Y883 VanDerWaalsContact C-N 3.31Å; Y881-Y883 PolarHBondContact O-N 3.23Å; Y883-R886 PolarHBondContact O-N 2.9Å; Y883-S887 PolarHBondContact O-N 3.38Å
884H74.1Confident70.7Confident131 Ų131113.1 Ų113.161%0.60656%0.556SS**Hα-helixtrans-62.7-44.2176.3-81.3-66.4000112.6E880 Y881 R886 S887 S888E880-H884 PolarHBondContact O-CD2 3.3Å; E880-H884 PolarHBondContact O-N 3.49Å; Y881-H884 PolarHBondContact O-N 2.88Å; H884-R886 PolarHBondContact O-N 3.02Å; H884-S887 PolarHBondContact O-N 3.37Å; H884-S888 WeakPolarHBondContact O-CB 3.38Å; H884-S888 PolarHBondContact O-N 2.71Å
885V76.5Confident72.7Confident53 Ų53108.8 Ų108.832%0.32154%0.538SS..Hα-helixtrans-57.8-50.5174.1172.20000110.3Y881 S887 S888 E889Y881-V885 HydrophobicContact CD1-CG2 4.25Å; Y881-V885 HydrophobicContact CE1-CG2 3.86Å; Y881-V885 HydrophobicContact CE2-CG2 4.46Å; Y881-V885 WeakPolarHBondContact O-CG2 3.48Å; Y881-V885 PolarHBondContact O-N 2.71Å; V885-S887 VanDerWaalsContact C-N 3.27Å; V885-S887 PolarHBondContact O-N 3.4Å; V885-S888 WeakPolarHBondContact O-CB 3.42Å; V885-S888 PolarHBondContact O-N 2.99Å; V885-S888 VanDerWaalsContact O-N 3.1Å; V885-E889 HydrophobicContact CG1-CG 4.39Å; V885-E889 WeakPolarHBondContact O-CG 3.05Å; V885-E889 PolarHBondContact O-N 2.85Å
886R80.2Confident75.1Confident154 Ų154108.6 Ų108.658%0.58152%0.52SS*.Hα-helixtrans-65.1-24.1178.3-74.1174.8174.6169.50.4114.4L882 Y883 H884 R890L882-R886 WeakPolarHBondContact O-CB 3.47Å; L882-R886 WeakPolarHBondContact O-CG 3.35Å; L882-R886 PolarHBondContact O-N 2.64Å; L882-R886 VanDerWaalsContact O-N 3.13Å; Y883-R886 PolarHBondContact O-N 2.9Å; H884-R886 PolarHBondContact O-N 3.02Å; R886-R890 WeakPolarHBondContact O-CG 3.28Å
887S76.8Confident77.1Confident31 Ų31106.5 Ų106.522%0.21751%0.513CS..Hα-helixtrans-73.9-46.4170.4-1570000110.6Y883 H884 V885 E889 R890 E891Y883-S887 PolarHBondContact O-N 3.38Å; H884-S887 PolarHBondContact O-N 3.37Å; V885-S887 VanDerWaalsContact C-N 3.27Å; V885-S887 PolarHBondContact O-N 3.4Å; S887-E889 VanDerWaalsContact C-N 3.34Å; S887-E889 PolarHBondContact O-N 2.74Å; S887-R890 WeakPolarHBondContact O-CB 3.42Å; S887-R890 PolarHBondContact O-N 3.49Å; S887-R890 VanDerWaalsContact O-N 3.11Å; S887-E891 PolarHBondContact O-N 3.48Å; S887-E891 PolarHBondContact OG-OE1 2.83Å
888S73.4Confident78.8Confident72 Ų72105.2 Ų105.250%0.50351%0.508SS..Hα-helixtrans-61.2-39.1178.4-167.20000112.4H884 V885 R890 E891 H892H884-S888 WeakPolarHBondContact O-CB 3.38Å; H884-S888 PolarHBondContact O-N 2.71Å; V885-S888 WeakPolarHBondContact O-CB 3.42Å; V885-S888 PolarHBondContact O-N 2.99Å; V885-S888 VanDerWaalsContact O-N 3.1Å; S888-R890 VanDerWaalsContact C-N 3.34Å; S888-R890 PolarHBondContact O-N 3.5Å; S888-E891 PolarHBondContact O-N 3.29Å; S888-H892 WeakPolarHBondContact O-CB 3.36Å; S888-H892 PolarHBondContact O-N 3.2Å
889E81.8Confident80.2Confident114 Ų114105 Ų10553%0.53350%0.501SS..Hα-helixtrans-59.9-39.4173.5-72.8174.2148.800112.8V885 S887 S893V885-E889 HydrophobicContact CG1-CG 4.39Å; V885-E889 WeakPolarHBondContact O-CG 3.05Å; V885-E889 PolarHBondContact O-N 2.85Å; S887-E889 VanDerWaalsContact C-N 3.34Å; S887-E889 PolarHBondContact O-N 2.74Å; E889-S893 WeakPolarHBondContact O-CB 3.43Å; E889-S893 PolarHBondContact O-N 3.46Å; E889-S893 PolarHBondContact O-OG 3.08Å
890R85.6Confident81.5Confident133 Ų133107.1 Ų107.150%0.50250%0.504SS..Hα-helixtrans-70.7-37.8175.8-65.9177-155.1129.7-2111.8R886 S887 S888 S893 K894R886-R890 WeakPolarHBondContact O-CG 3.28Å; S887-R890 WeakPolarHBondContact O-CB 3.42Å; S887-R890 PolarHBondContact O-N 3.49Å; S887-R890 VanDerWaalsContact O-N 3.11Å; S888-R890 VanDerWaalsContact C-N 3.34Å; S888-R890 PolarHBondContact O-N 3.5Å; R890-S893 PolarHBondContact O-N 2.92Å; R890-K894 WeakPolarHBondContact O-CG 3.2Å; R890-K894 PolarHBondContact O-N 2.85Å
891E81.1Confident83Confident100 Ų100106.9 Ų106.947%0.46751%0.505SS..Hα-helixtrans-67.5-44.9176.7-74160.2-152.200111S887 S888 S893 K894 L895S887-E891 PolarHBondContact O-N 3.48Å; S887-E891 PolarHBondContact OG-OE1 2.83Å; S888-E891 PolarHBondContact O-N 3.29Å; E891-S893 VanDerWaalsContact C-N 3.32Å; E891-S893 PolarHBondContact O-N 2.96Å; E891-K894 WeakPolarHBondContact O-CB 3.23Å; E891-K894 PolarHBondContact O-N 2.87Å; E891-L895 WeakPolarHBondContact O-CG 3.2Å; E891-L895 PolarHBondContact O-N 2.92Å
892H85.8Confident83.9Confident118 Ų118102.9 Ų102.955%0.54649%0.492SS..Hα-helixtrans-57.1-43.3170.9-176.2-90.6000111.9S888 K894 L895 M896S888-H892 WeakPolarHBondContact O-CB 3.36Å; S888-H892 PolarHBondContact O-N 3.2Å; H892-K894 PolarHBondContact O-N 2.9Å; H892-L895 PolarHBondContact O-N 2.78Å; H892-M896 WeakPolarHBondContact O-CB 3.17Å; H892-M896 WeakPolarHBondContact O-CG 3.42Å; H892-M896 PolarHBondContact O-N 3.44Å
893S87Confident84.7Confident67 Ų67104.6 Ų104.647%0.46950%0.498SS..Hα-helixtrans-63.6-39.3177.2-59.20000112.8E889 R890 E891 T897E889-S893 WeakPolarHBondContact O-CB 3.43Å; E889-S893 PolarHBondContact O-N 3.46Å; E889-S893 PolarHBondContact O-OG 3.08Å; R890-S893 PolarHBondContact O-N 2.92Å; E891-S893 VanDerWaalsContact C-N 3.32Å; E891-S893 PolarHBondContact O-N 2.96Å; S893-T897 PolarHBondContact O-N 3.28Å; S893-T897 VanDerWaalsContact O-N 3.16Å; S893-T897 PolarHBondContact O-OG1 3.44Å
894K90Very high85.5Confident146 Ų146103.1 Ų103.164%0.63550%0.496SS*.Hα-helixtrans-64-47.8172.8-72169.9-179.31800111.3R890 E891 H892 M896 T897 Q898R890-K894 WeakPolarHBondContact O-CG 3.2Å; R890-K894 PolarHBondContact O-N 2.85Å; E891-K894 WeakPolarHBondContact O-CB 3.23Å; E891-K894 PolarHBondContact O-N 2.87Å; H892-K894 PolarHBondContact O-N 2.9Å; K894-M896 PolarHBondContact O-N 3.4Å; K894-T897 WeakPolarHBondContact O-CB 3.39Å; K894-T897 PolarHBondContact O-N 3.09Å; K894-T897 VanDerWaalsContact O-N 3.14Å; K894-Q898 PolarHBondContact O-N 3.4Å
895L88.3Confident86.3Confident95 Ų95100.4 Ų100.450%0.49748%0.484SS..Hα-helixtrans-60.7-45.1179.3-70.9169.4000111.8E891 H892 T897 Q898 I899E891-L895 WeakPolarHBondContact O-CG 3.2Å; E891-L895 PolarHBondContact O-N 2.92Å; H892-L895 PolarHBondContact O-N 2.78Å; L895-T897 VanDerWaalsContact C-N 3.28Å; L895-T897 PolarHBondContact O-N 3.18Å; L895-Q898 PolarHBondContact O-N 3.08Å; L895-Q898 VanDerWaalsContact O-N 3.15Å; L895-I899 VanDerWaalsContact O-CG1 3.29Å; L895-I899 WeakPolarHBondContact O-CG1 3.31Å; L895-I899 PolarHBondContact O-N 3.36Å
896M88.7Confident86.9Confident104 Ų104101.8 Ų101.851%0.51249%0.489SS..Hα-helixtrans-60.4-36.1174.6-74.9-61.7-61.900112.9H892 K894 I899 R900H892-M896 WeakPolarHBondContact O-CB 3.17Å; H892-M896 WeakPolarHBondContact O-CG 3.42Å; H892-M896 PolarHBondContact O-N 3.44Å; K894-M896 PolarHBondContact O-N 3.4Å; M896-I899 HydrophobicContact SD-CD1 4.45Å; M896-R900 PolarHBondContact O-N 3.11Å
897T90.5Very high87.4Confident86 Ų8697.2 Ų97.253%0.52848%0.484SS..Hα-helixtrans-68.3-41.1175.1-51.90000111.2S893 K894 L895 R900 L901S893-T897 PolarHBondContact O-N 3.28Å; S893-T897 VanDerWaalsContact O-N 3.16Å; S893-T897 PolarHBondContact O-OG1 3.44Å; K894-T897 WeakPolarHBondContact O-CB 3.39Å; K894-T897 PolarHBondContact O-N 3.09Å; K894-T897 VanDerWaalsContact O-N 3.14Å; L895-T897 VanDerWaalsContact C-N 3.28Å; L895-T897 PolarHBondContact O-N 3.18Å; T897-R900 PolarHBondContact O-N 3.12Å; T897-L901 PolarHBondContact O-N 3.22Å
898Q89.7Confident88.2Confident94 Ų94102.4 Ų102.444%0.43950%0.499SS..Hα-helixtrans-69-39.7178.6-172.1167.1100112.5K894 L895 R900 L901 Q902K894-Q898 PolarHBondContact O-N 3.4Å; L895-Q898 PolarHBondContact O-N 3.08Å; L895-Q898 VanDerWaalsContact O-N 3.15Å; Q898-R900 PolarHBondContact O-N 3.31Å; Q898-L901 PolarHBondContact O-N 3.44Å; Q898-Q902 PolarHBondContact O-N 3.42Å
899I91.2Very high88.9Confident79 Ų79103 Ų10341%0.40550%0.496SS..Hα-helixtrans-57.7-48.4172.8-70.9163.9000110.1L895 M896 L901 Q902 E903L895-I899 VanDerWaalsContact O-CG1 3.29Å; L895-I899 WeakPolarHBondContact O-CG1 3.31Å; L895-I899 PolarHBondContact O-N 3.36Å; M896-I899 HydrophobicContact SD-CD1 4.45Å; I899-L901 VanDerWaalsContact C-N 3.27Å; I899-L901 PolarHBondContact O-N 3.24Å; I899-Q902 CarbonylContact O-C 3.54Å; I899-Q902 PolarHBondContact O-N 3Å; I899-E903 HydrophobicContact CG2-CG 4.37Å; I899-E903 WeakPolarHBondContact O-CG 3.41Å; I899-E903 PolarHBondContact O-N 3.37Å
900R90.4Very high89.1Confident168 Ų168106.1 Ų106.163%0.63450%0.503SS*.Hα-helixtrans-60.2-34.4179.4-172-177.8178.299.8-1.9113.1M896 T897 Q898 Q904M896-R900 PolarHBondContact O-N 3.11Å; T897-R900 PolarHBondContact O-N 3.12Å; Q898-R900 PolarHBondContact O-N 3.31Å; R900-Q904 WeakPolarHBondContact O-CG 3.21Å; R900-Q904 PolarHBondContact O-N 3.07Å
901L92Very high89.1Confident108 Ų108106.6 Ų106.657%0.56551%0.51SS*.Hα-helixtrans-71.1-40.4174.1-69.5170000111.6T897 Q898 I899 Q904 E905T897-L901 PolarHBondContact O-N 3.22Å; Q898-L901 PolarHBondContact O-N 3.44Å; I899-L901 VanDerWaalsContact C-N 3.27Å; I899-L901 PolarHBondContact O-N 3.24Å; L901-Q904 PolarHBondContact O-N 3.16Å; L901-E905 PolarHBondContact O-N 2.88Å; L901-E905 VanDerWaalsContact O-N 3.09Å
902Q89.6Confident89.2Confident73 Ų73105 Ų10534%0.34151%0.51SS..Hα-helixtrans-66.2-35.7174.8-71.1-177-50.100112.4Q898 I899 Q904 E905 I906Q898-Q902 PolarHBondContact O-N 3.42Å; I899-Q902 CarbonylContact O-C 3.54Å; I899-Q902 PolarHBondContact O-N 3Å; Q902-Q904 VanDerWaalsContact C-N 3.31Å; Q902-Q904 PolarHBondContact O-N 3.16Å; Q902-E905 PolarHBondContact O-N 2.95Å; Q902-I906 WeakPolarHBondContact O-CB 3.28Å; Q902-I906 WeakPolarHBondContact O-CD1 3.45Å; Q902-I906 WeakPolarHBondContact O-CG1 3.26Å; Q902-I906 PolarHBondContact O-N 3.31Å
903E90.8Very high89.2Confident123 Ų123104.2 Ų104.258%0.57551%0.513SS*.Hα-helixtrans-60.6-39.2172.4-72.5178.9144.400112.2I899 A907I899-E903 HydrophobicContact CG2-CG 4.37Å; I899-E903 WeakPolarHBondContact O-CG 3.41Å; I899-E903 PolarHBondContact O-N 3.37Å; E903-A907 PolarHBondContact O-N 3.39Å; E903-A907 VanDerWaalsContact O-N 3.07Å
904Q92.5Very high89.1Confident117 Ų117105.8 Ų105.855%0.54752%0.52SS..Hα-helixtrans-68.1-42.4176.4-72.4178.7-28.600112.1R900 L901 Q902 A907 R908R900-Q904 WeakPolarHBondContact O-CG 3.21Å; R900-Q904 PolarHBondContact O-N 3.07Å; L901-Q904 PolarHBondContact O-N 3.16Å; Q902-Q904 VanDerWaalsContact C-N 3.31Å; Q902-Q904 PolarHBondContact O-N 3.16Å; Q904-A907 WeakPolarHBondContact O-CB 3.43Å; Q904-A907 PolarHBondContact O-N 3.36Å; Q904-R908 PolarHBondContact O-N 2.6Å
905E90.4Very high88.8Confident74 Ų74103.5 Ų103.535%0.34652%0.515SS..Hα-helixtrans-68.9-37.9176.8-175.955-157.300112L901 Q902 A907 R908 L909L901-E905 PolarHBondContact O-N 2.88Å; L901-E905 VanDerWaalsContact O-N 3.09Å; Q902-E905 PolarHBondContact O-N 2.95Å; E905-A907 PolarHBondContact O-N 3.47Å; E905-R908 VanDerWaalsContact CD-NE 3.31Å; E905-R908 PolarHBondContact O-N 3.33Å; E905-R908 VanDerWaalsContact O-N 3.17Å; E905-R908 IonicContact OE1-CZ 2.79Å; E905-R908 VanDerWaalsContact OE1-CZ 3.24Å; E905-R908 IonicContact OE1-NE 2.72Å; E905-R908 PolarHBondContact OE1-NE 2.92Å; E905-R908 IonicContact OE1-NH2 3.18Å; E905-R908 PolarHBondContact OE1-NH2 3.42Å; E905-R908 IonicContact OE2-CZ 3.53Å; E905-R908 IonicContact OE2-NE 2.75Å; E905-R908 PolarHBondContact OE2-NE 3.3Å; E905-R908 IonicContact OE2-NH2 3.45Å; E905-L909 HydrophobicContact CG-CD1 4.12Å; E905-L909 HydrophobicContact CG-CG 4.39Å; E905-L909 WeakPolarHBondContact O-CB 3.5Å; E905-L909 WeakPolarHBondContact O-CG 2.94Å; E905-L909 PolarHBondContact O-N 2.9Å
906I89.7Confident88.5Confident82 Ų82106 Ų10642%0.42152%0.522SS..Hα-helixtrans-60.9-34.7172.1-71.4164.8000111.3Q902 R910Q902-I906 WeakPolarHBondContact O-CB 3.28Å; Q902-I906 WeakPolarHBondContact O-CD1 3.45Å; Q902-I906 WeakPolarHBondContact O-CG1 3.26Å; Q902-I906 PolarHBondContact O-N 3.31Å; I906-R910 WeakPolarHBondContact O-CD 3.44Å; I906-R910 WeakPolarHBondContact O-CG 3.47Å; I906-R910 PolarHBondContact O-N 2.88Å
907A90.2Very high88.3Confident58 Ų58104.3 Ų104.348%0.47952%0.52SS..Hα-helixtrans-66.7-46.9173.100000111.7E903 Q904 E905 L909 R910 E911E903-A907 PolarHBondContact O-N 3.39Å; E903-A907 VanDerWaalsContact O-N 3.07Å; Q904-A907 WeakPolarHBondContact O-CB 3.43Å; Q904-A907 PolarHBondContact O-N 3.36Å; E905-A907 PolarHBondContact O-N 3.47Å; A907-L909 PolarHBondContact O-N 3.25Å; A907-R910 PolarHBondContact O-N 3.25Å; A907-E911 PolarHBondContact O-N 3.44Å
908R92.8Very high88Confident140 Ų140105.6 Ų105.653%0.52852%0.52SS..Hα-helixtrans-59.9-43177.4-165.5-170.274.685.21.1112.6Q904 E905 R910 E911 S912Q904-R908 PolarHBondContact O-N 2.6Å; E905-R908 VanDerWaalsContact CD-NE 3.31Å; E905-R908 PolarHBondContact O-N 3.33Å; E905-R908 VanDerWaalsContact O-N 3.17Å; E905-R908 IonicContact OE1-CZ 2.79Å; E905-R908 VanDerWaalsContact OE1-CZ 3.24Å; E905-R908 IonicContact OE1-NE 2.72Å; E905-R908 PolarHBondContact OE1-NE 2.92Å; E905-R908 IonicContact OE1-NH2 3.18Å; E905-R908 PolarHBondContact OE1-NH2 3.42Å; E905-R908 IonicContact OE2-CZ 3.53Å; E905-R908 IonicContact OE2-NE 2.75Å; E905-R908 PolarHBondContact OE2-NE 3.3Å; E905-R908 IonicContact OE2-NH2 3.45Å; R908-R910 VanDerWaalsContact C-N 3.34Å; R908-R910 PolarHBondContact O-N 3.22Å; R908-E911 PolarHBondContact O-N 2.79Å; R908-S912 PolarHBondContact O-N 2.61Å
909L88.9Confident87.9Confident84 Ų84106.1 Ų106.144%0.4453%0.526SS..Hα-helixtrans-66.2-35.1177.8-69.7171.5000112.2E905 A907 E911 S912 V913E905-L909 HydrophobicContact CG-CD1 4.12Å; E905-L909 HydrophobicContact CG-CG 4.39Å; E905-L909 WeakPolarHBondContact O-CB 3.5Å; E905-L909 WeakPolarHBondContact O-CG 2.94Å; E905-L909 PolarHBondContact O-N 2.9Å; A907-L909 PolarHBondContact O-N 3.25Å; L909-E911 VanDerWaalsContact C-N 3.33Å; L909-E911 PolarHBondContact O-N 2.97Å; L909-S912 PolarHBondContact O-N 2.77Å; L909-V913 WeakPolarHBondContact O-CG2 3.43Å; L909-V913 PolarHBondContact O-N 3.4Å; L909-V913 VanDerWaalsContact O-N 3.16Å
910R85.9Confident87.8Confident180 Ų180108.9 Ų108.968%0.67954%0.535SS*.Hα-helixtrans-65.8-34175.9-76.9169.3-178.4-169.83.2113I906 A907 R908I906-R910 WeakPolarHBondContact O-CD 3.44Å; I906-R910 WeakPolarHBondContact O-CG 3.47Å; I906-R910 PolarHBondContact O-N 2.88Å; A907-R910 PolarHBondContact O-N 3.25Å; R908-R910 VanDerWaalsContact C-N 3.34Å; R908-R910 PolarHBondContact O-N 3.22Å
911E85.9Confident87.8Confident142 Ų142104.4 Ų104.466%0.66452%0.523SS*.Hα-helixtrans-66.1-51.6175.2-168.1166-148.800110.6A907 R908 L909 V913 V914A907-E911 PolarHBondContact O-N 3.44Å; R908-E911 PolarHBondContact O-N 2.79Å; L909-E911 VanDerWaalsContact C-N 3.33Å; L909-E911 PolarHBondContact O-N 2.97Å; E911-V913 VanDerWaalsContact C-N 3.25Å; E911-V913 PolarHBondContact O-N 3.15Å; E911-V914 WeakPolarHBondContact O-CB 3.38Å; E911-V914 PolarHBondContact O-N 3.06Å
912S83.4Confident87.7Confident66 Ų66106 Ų10646%0.46252%0.522SS..Hα-helixtrans-56.1-33176.7-178.70000114.3R908 L909 V914 D915 F916R908-S912 PolarHBondContact O-N 2.61Å; L909-S912 PolarHBondContact O-N 2.77Å; S912-V914 VanDerWaalsContact C-N 3.26Å; S912-V914 PolarHBondContact O-N 3.34Å; S912-D915 PolarHBondContact O-N 2.81Å; S912-F916 PolarHBondContact O-N 3.36Å; S912-F916 VanDerWaalsContact O-N 3.12Å
913V86.3Confident87.7Confident102 Ų102108 Ų10862%0.61854%0.535SS*.Hα-helixtrans-65.7-26.4175.7166.80000112.7L909 E911 S917L909-V913 WeakPolarHBondContact O-CG2 3.43Å; L909-V913 PolarHBondContact O-N 3.4Å; L909-V913 VanDerWaalsContact O-N 3.16Å; E911-V913 VanDerWaalsContact C-N 3.25Å; E911-V913 PolarHBondContact O-N 3.15Å; V913-S917 PolarHBondContact O-N 3.17Å
914V83.8Confident87.6Confident100 Ų100104.9 Ų104.961%0.60653%0.526SS*.Hα-helixtrans-70.4-48175-177.30000110.4E911 S912 F916 S917 E918E911-V914 WeakPolarHBondContact O-CB 3.38Å; E911-V914 PolarHBondContact O-N 3.06Å; S912-V914 VanDerWaalsContact C-N 3.26Å; S912-V914 PolarHBondContact O-N 3.34Å; V914-F916 VanDerWaalsContact C-N 3.3Å; V914-F916 PolarHBondContact O-N 3.23Å; V914-S917 WeakPolarHBondContact O-CA 3.38Å; V914-S917 VanDerWaalsContact O-CB 3.29Å; V914-S917 WeakPolarHBondContact O-CB 3.49Å; V914-S917 PolarHBondContact O-N 3.26Å; V914-E918 PolarHBondContact O-N 3.27Å; V914-E918 VanDerWaalsContact O-N 3.14Å
915D83.2Confident87.5Confident99 Ų99106.6 Ų106.653%0.52953%0.528SS..Hα-helixtrans-58.6-42.6177.9-63.7-23.8000111.7S912 S917 E918 L919S912-D915 PolarHBondContact O-N 2.81Å; D915-S917 PolarHBondContact O-N 3.31Å; D915-E918 PolarHBondContact O-N 3.4Å; D915-E918 VanDerWaalsContact O-N 3.16Å; D915-L919 PolarHBondContact O-N 3.45Å
916F83.3Confident87.5Confident146 Ų146107.3 Ų107.364%0.6454%0.537SS*.Hα-helixtrans-61.7-33175.6-167.7-94.6000112.4S912 V914 K920S912-F916 PolarHBondContact O-N 3.36Å; S912-F916 VanDerWaalsContact O-N 3.12Å; V914-F916 VanDerWaalsContact C-N 3.3Å; V914-F916 PolarHBondContact O-N 3.23Å; F916-K920 VanDerWaalsContact O-CB 3.29Å; F916-K920 WeakPolarHBondContact O-CB 3.41Å; F916-K920 PolarHBondContact O-N 3.36Å
917S83.1Confident87.6Confident69 Ų69107 Ų10748%0.48354%0.542SS..Hα-helixtrans-69.1-39174.6-163.80000112.3V913 V914 D915 D921V913-S917 PolarHBondContact O-N 3.17Å; V914-S917 WeakPolarHBondContact O-CA 3.38Å; V914-S917 VanDerWaalsContact O-CB 3.29Å; V914-S917 WeakPolarHBondContact O-CB 3.49Å; V914-S917 PolarHBondContact O-N 3.26Å; D915-S917 PolarHBondContact O-N 3.31Å; S917-D921 PolarHBondContact O-N 3.09Å; S917-D921 VanDerWaalsContact O-N 3.11Å
918E84.2Confident87.6Confident113 Ų113107.9 Ų107.953%0.52855%0.545SS..Hα-helixtrans-68.3-42.9175.5-161.4-158.1118.600111.6V914 D915 K920 D921 R922V914-E918 PolarHBondContact O-N 3.27Å; V914-E918 VanDerWaalsContact O-N 3.14Å; D915-E918 PolarHBondContact O-N 3.4Å; D915-E918 VanDerWaalsContact O-N 3.16Å; E918-K920 VanDerWaalsContact C-N 3.29Å; E918-K920 PolarHBondContact O-N 3.44Å; E918-D921 WeakPolarHBondContact O-CB 3.42Å; E918-D921 PolarHBondContact O-N 3.17Å; E918-D921 VanDerWaalsContact O-N 3.09Å; E918-R922 WeakPolarHBondContact O-CG 3.3Å; E918-R922 PolarHBondContact O-N 3.45Å; E918-R922 VanDerWaalsContact OE1-CD 3.29Å; E918-R922 WeakPolarHBondContact OE1-CD 3.46Å; E918-R922 IonicContact OE1-NH1 2.7Å
919L88.1Confident87.5Confident105 Ų105103.8 Ų103.855%0.5554%0.538SS..Hα-helixtrans-57.6-42.5175.6-78.2165.2000111.9D915 D921 R922 L923D915-L919 PolarHBondContact O-N 3.45Å; L919-D921 VanDerWaalsContact C-N 3.34Å; L919-D921 PolarHBondContact O-N 2.99Å; L919-R922 PolarHBondContact O-N 2.85Å; L919-L923 WeakPolarHBondContact O-CB 3.38Å; L919-L923 PolarHBondContact O-N 3.32Å
920K89.6Confident87.6Confident137 Ų137105 Ų10560%0.59654%0.542SS*.Hα-helixtrans-62.6-39.1174.8-177.9179.7178.6-178.20112.6F916 E918 L923 S924F916-K920 VanDerWaalsContact O-CB 3.29Å; F916-K920 WeakPolarHBondContact O-CB 3.41Å; F916-K920 PolarHBondContact O-N 3.36Å; E918-K920 VanDerWaalsContact C-N 3.29Å; E918-K920 PolarHBondContact O-N 3.44Å; K920-L923 PolarHBondContact O-N 3Å; K920-S924 PolarHBondContact O-N 3.04Å
921D89.6Confident87.7Confident74 Ų7499.7 Ų99.740%0.39653%0.525SS..Hα-helixtrans-72.1-32.1176.9-114.836.7000113S917 E918 L919 S924 R925S917-D921 PolarHBondContact O-N 3.09Å; S917-D921 VanDerWaalsContact O-N 3.11Å; E918-D921 WeakPolarHBondContact O-CB 3.42Å; E918-D921 PolarHBondContact O-N 3.17Å; E918-D921 VanDerWaalsContact O-N 3.09Å; L919-D921 VanDerWaalsContact C-N 3.34Å; L919-D921 PolarHBondContact O-N 2.99Å; D921-S924 PolarHBondContact O-OG 3.3Å; D921-R925 WeakPolarHBondContact O-CD 3.38Å; D921-R925 WeakPolarHBondContact O-CG 3.45Å; D921-R925 PolarHBondContact O-N 3.18Å; D921-R925 PolarHBondContact O-NE 3Å; D921-R925 IonicContact OD2-CZ 3.13Å; D921-R925 IonicContact OD2-NH2 3.82Å; D921-R925 PolarHBondContact OD2-NH2 2.71Å
922R90.2Very high87.9Confident141 Ų14197.7 Ų97.753%0.53252%0.516SS..Hα-helixtrans-68.3-40.5170.6-71.5171.561.9170.2-2.2111.2E918 L919 R925 T926E918-R922 WeakPolarHBondContact O-CG 3.3Å; E918-R922 PolarHBondContact O-N 3.45Å; E918-R922 VanDerWaalsContact OE1-CD 3.29Å; E918-R922 WeakPolarHBondContact OE1-CD 3.46Å; E918-R922 IonicContact OE1-NH1 2.7Å; L919-R922 PolarHBondContact O-N 2.85Å; R922-R925 PolarHBondContact O-N 2.83Å; R922-T926 PolarHBondContact O-N 3.43Å; R922-T926 VanDerWaalsContact O-N 3.08Å; R922-T926 PolarHBondContact O-OG1 2.79Å
923L90.1Very high88.2Confident117 Ų117101.2 Ų101.261%0.61352%0.52SS*.Hα-helixtrans-65.7-37.7176.1-17761.5000112.9L919 K920 T926 S927L919-L923 WeakPolarHBondContact O-CB 3.38Å; L919-L923 PolarHBondContact O-N 3.32Å; K920-L923 PolarHBondContact O-N 3Å; L923-T926 PolarHBondContact O-OG1 3.29Å; L923-T926 VanDerWaalsContact O-OG1 3.12Å; L923-S927 WeakPolarHBondContact O-CB 3.46Å; L923-S927 PolarHBondContact O-N 3.27Å
924S89.1Confident88.4Confident56 Ų56103 Ų10339%0.39252%0.516SS..Hα-helixtrans-66.7-37.4177.173.40000112K920 D921 S928K920-S924 PolarHBondContact O-N 3.04Å; D921-S924 PolarHBondContact O-OG 3.3Å; S924-S928 WeakPolarHBondContact O-CB 3.5Å; S924-S928 PolarHBondContact O-N 2.89Å; S924-S928 PolarHBondContact O-OG 2.81Å
925R90.7Very high88.7Confident154 Ų154105.6 Ų105.658%0.58152%0.515SS*.Hα-helixtrans-67.1-46.3175.5-66.3166.3-155.3177.29.1112.1D921 R922 S928 S929D921-R925 WeakPolarHBondContact O-CD 3.38Å; D921-R925 WeakPolarHBondContact O-CG 3.45Å; D921-R925 PolarHBondContact O-N 3.18Å; D921-R925 PolarHBondContact O-NE 3Å; D921-R925 IonicContact OD2-CZ 3.13Å; D921-R925 IonicContact OD2-NH2 3.82Å; D921-R925 PolarHBondContact OD2-NH2 2.71Å; R922-R925 PolarHBondContact O-N 2.83Å; R925-S928 PolarHBondContact O-N 3.1Å; R925-S929 PolarHBondContact O-N 3.13Å; R925-S929 VanDerWaalsContact O-N 3.09Å
926T90.7Very high89.1Confident88 Ų88107.2 Ų107.254%0.5451%0.514SS..Hα-helixtrans-67.5-39.2177.855.30000112.3R922 L923 S929 M930R922-T926 PolarHBondContact O-N 3.43Å; R922-T926 VanDerWaalsContact O-N 3.08Å; R922-T926 PolarHBondContact O-OG1 2.79Å; L923-T926 PolarHBondContact O-OG1 3.29Å; L923-T926 VanDerWaalsContact O-OG1 3.12Å; T926-S929 PolarHBondContact O-N 3.15Å; T926-M930 PolarHBondContact O-N 2.67Å
927S90.8Very high89.4Confident75 Ų75109.3 Ų109.352%0.52452%0.518SS..Hα-helixtrans-60.5-43.8173.9-174.80000112.2L923 M930 E931L923-S927 WeakPolarHBondContact O-CB 3.46Å; L923-S927 PolarHBondContact O-N 3.27Å; S927-M930 PolarHBondContact O-N 3.27Å; S927-E931 PolarHBondContact O-N 3.37Å; S927-E931 VanDerWaalsContact O-N 3.14Å
928S90.3Very high89.8Confident77 Ų77111.5 Ų111.554%0.53852%0.516SS..Hα-helixtrans-61.9-44.8176.9-58.90000112.1S924 R925 M930 E931 E932S924-S928 WeakPolarHBondContact O-CB 3.5Å; S924-S928 PolarHBondContact O-N 2.89Å; S924-S928 PolarHBondContact O-OG 2.81Å; R925-S928 PolarHBondContact O-N 3.1Å; S928-M930 PolarHBondContact O-N 3.38Å; S928-E931 PolarHBondContact O-N 3.37Å; S928-E932 PolarHBondContact O-N 3.16Å; S928-E932 VanDerWaalsContact O-N 3.13Å
929S90.8Very high90.1Very high55 Ų55110.2 Ų110.239%0.38551%0.513SS..Hα-helixtrans-61.4-41.5175.3-1760000112.2R925 T926 E931 E932 Y933R925-S929 PolarHBondContact O-N 3.13Å; R925-S929 VanDerWaalsContact O-N 3.09Å; T926-S929 PolarHBondContact O-N 3.15Å; S929-E931 VanDerWaalsContact C-N 3.32Å; S929-E931 PolarHBondContact O-N 2.92Å; S929-E932 WeakPolarHBondContact O-CB 3.42Å; S929-E932 PolarHBondContact O-N 3.11Å; S929-Y933 WeakPolarHBondContact O-CD2 3.47Å; S929-Y933 PolarHBondContact O-N 2.86Å; S929-Y933 VanDerWaalsContact O-N 3.1Å
930M89.8Confident90.3Very high109 Ų109110 Ų11054%0.53751%0.509SS..Hα-helixtrans-61.8-37.2176.6-172.2-179.8-69.400112.7T926 S927 S928 Y933 R934T926-M930 PolarHBondContact O-N 2.67Å; S927-M930 PolarHBondContact O-N 3.27Å; S928-M930 PolarHBondContact O-N 3.38Å; M930-Y933 PolarHBondContact O-N 3.15Å; M930-R934 PolarHBondContact O-N 3.15Å
931E88.9Confident90.3Very high68 Ų68111.7 Ų111.732%0.31851%0.512SS..Hα-helixtrans-75.5-26.4176.6-17152.7-147.200112.9S927 S928 S929 R934 R935 R938S927-E931 PolarHBondContact O-N 3.37Å; S927-E931 VanDerWaalsContact O-N 3.14Å; S928-E931 PolarHBondContact O-N 3.37Å; S929-E931 VanDerWaalsContact C-N 3.32Å; S929-E931 PolarHBondContact O-N 2.92Å; E931-R934 PolarHBondContact O-N 3.26Å; E931-R934 WeakPolarHBondContact OE2-CD 3.46Å; E931-R935 WeakPolarHBondContact O-CG 3.47Å; E931-R935 PolarHBondContact O-N 3.24Å; E931-R938 IonicContact OE1-CZ 2.87Å; E931-R938 IonicContact OE1-NH1 2.9Å; E931-R938 PolarHBondContact OE1-NH1 3.04Å; E931-R938 VanDerWaalsContact OE1-NH1 3.13Å; E931-R938 IonicContact OE1-NH2 3.59Å; E931-R938 PolarHBondContact OE1-NH2 2.94Å
932E90.4Very high90.4Very high101 Ų101113.1 Ų113.147%0.47252%0.519SS..Hα-helixtrans-62.1-47.5165.9-81.4-164.4-148.200112S928 S929 R934 R935 R936S928-E932 PolarHBondContact O-N 3.16Å; S928-E932 VanDerWaalsContact O-N 3.13Å; S929-E932 WeakPolarHBondContact O-CB 3.42Å; S929-E932 PolarHBondContact O-N 3.11Å; E932-R934 VanDerWaalsContact C-N 3.27Å; E932-R934 PolarHBondContact O-N 3Å; E932-R935 WeakPolarHBondContact O-CB 3.42Å; E932-R935 PolarHBondContact O-N 3.47Å; E932-R935 VanDerWaalsContact O-N 3.09Å; E932-R936 WeakPolarHBondContact O-CG 3.46Å; E932-R936 PolarHBondContact O-N 2.89Å; E932-R936 IonicContact OE2-CZ 3.84Å; E932-R936 IonicContact OE2-NE 3.49Å; E932-R936 IonicContact OE2-NH2 3.95Å; E932-R936 PolarHBondContact OE2-NH2 3.46Å
933Y90Very high90.5Very high140 Ų140111.2 Ų111.255%0.54952%0.515SS..Hα-helixtrans-60.3-38.7175.6-73.1-68000111.6S929 M930 R935 R936 Y937S929-Y933 WeakPolarHBondContact O-CD2 3.47Å; S929-Y933 PolarHBondContact O-N 2.86Å; S929-Y933 VanDerWaalsContact O-N 3.1Å; M930-Y933 PolarHBondContact O-N 3.15Å; Y933-R935 PolarHBondContact O-N 2.62Å; Y933-R936 PolarHBondContact O-N 2.88Å; Y933-Y937 PolarHBondContact O-N 2.94Å
934R90.3Very high90.6Very high140 Ų140110 Ų11053%0.52851%0.512SS..Hα-helixtrans-64.7-33.4172.9-78-178.5168.71382.9113.8M930 E931 E932 R938M930-R934 PolarHBondContact O-N 3.15Å; E931-R934 PolarHBondContact O-N 3.26Å; E931-R934 WeakPolarHBondContact OE2-CD 3.46Å; E932-R934 VanDerWaalsContact C-N 3.27Å; E932-R934 PolarHBondContact O-N 3Å; R934-R938 WeakPolarHBondContact O-CG 3.42Å; R934-R938 PolarHBondContact O-N 3.33Å; R934-R938 PolarHBondContact O-NE 2.92Å
935R89.6Confident90.7Very high153 Ų153110.5 Ų110.558%0.57751%0.51SS*.Hα-helixtrans-64.3-54.3170.7-73.8177.9-171.3-151.15.1110.8E931 E932 Y933 Y937 R938 D939E931-R935 WeakPolarHBondContact O-CG 3.47Å; E931-R935 PolarHBondContact O-N 3.24Å; E932-R935 WeakPolarHBondContact O-CB 3.42Å; E932-R935 PolarHBondContact O-N 3.47Å; E932-R935 VanDerWaalsContact O-N 3.09Å; Y933-R935 PolarHBondContact O-N 2.62Å; R935-Y937 VanDerWaalsContact C-N 3.27Å; R935-Y937 PolarHBondContact O-N 3.02Å; R935-R938 VanDerWaalsContact CG-NH2 3.25Å; R935-R938 WeakPolarHBondContact O-CA 3.13Å; R935-R938 WeakPolarHBondContact O-CB 3.21Å; R935-R938 PolarHBondContact O-N 3.35Å; R935-D939 VanDerWaalsContact O-CG 3.23Å; R935-D939 PolarHBondContact O-N 3.13Å
936R91.7Very high90.7Very high134 Ų134105.8 Ų105.851%0.50650%0.501SS..Hα-helixtrans-55.7-41.3-178.9-61.9175.9-158.3-160.67.9111.9E932 Y933 R938 D939 E940E932-R936 WeakPolarHBondContact O-CG 3.46Å; E932-R936 PolarHBondContact O-N 2.89Å; E932-R936 IonicContact OE2-CZ 3.84Å; E932-R936 IonicContact OE2-NE 3.49Å; E932-R936 IonicContact OE2-NH2 3.95Å; E932-R936 PolarHBondContact OE2-NH2 3.46Å; Y933-R936 PolarHBondContact O-N 2.88Å; R936-R938 VanDerWaalsContact C-N 3.34Å; R936-R938 PolarHBondContact O-N 2.76Å; R936-D939 PolarHBondContact O-N 2.86Å; R936-E940 WeakPolarHBondContact O-CG 3.01Å; R936-E940 PolarHBondContact O-N 2.77Å
937Y90.6Very high90.7Very high189 Ų189106.7 Ų106.774%0.74150%0.502SS*.Hα-helixtrans-64.6-31174.6-100.4-74.8000114.6Y933 R935 R941Y933-Y937 PolarHBondContact O-N 2.94Å; R935-Y937 VanDerWaalsContact C-N 3.27Å; R935-Y937 PolarHBondContact O-N 3.02Å; Y937-R941 WeakPolarHBondContact O-CB 3.5Å; Y937-R941 PolarHBondContact O-N 3.39Å
938R90.4Very high90.7Very high116 Ų116105.5 Ų105.544%0.43850%0.497SS..Hα-helixtrans-74.2-43.8172.2-69.4-179.6-60.9-115.23.5110.6E931 R934 R935 R936 E940 R941 D942E931-R938 IonicContact OE1-CZ 2.87Å; E931-R938 IonicContact OE1-NH1 2.9Å; E931-R938 PolarHBondContact OE1-NH1 3.04Å; E931-R938 VanDerWaalsContact OE1-NH1 3.13Å; E931-R938 IonicContact OE1-NH2 3.59Å; E931-R938 PolarHBondContact OE1-NH2 2.94Å; R934-R938 WeakPolarHBondContact O-CG 3.42Å; R934-R938 PolarHBondContact O-N 3.33Å; R934-R938 PolarHBondContact O-NE 2.92Å; R935-R938 VanDerWaalsContact CG-NH2 3.25Å; R935-R938 WeakPolarHBondContact O-CA 3.13Å; R935-R938 WeakPolarHBondContact O-CB 3.21Å; R935-R938 PolarHBondContact O-N 3.35Å; R936-R938 VanDerWaalsContact C-N 3.34Å; R936-R938 PolarHBondContact O-N 2.76Å; R938-E940 PolarHBondContact O-N 3.24Å; R938-R941 WeakPolarHBondContact O-CB 3.16Å; R938-R941 PolarHBondContact O-N 3.38Å; R938-R941 VanDerWaalsContact O-N 3.13Å; R938-D942 PolarHBondContact O-N 3.45Å
939D91.5Very high90.8Very high86 Ų86109.3 Ų109.346%0.4650%0.499SS..Hα-helixtrans-62.3-40.1179.6-55.3-30.6000112R935 R936 K943R935-D939 VanDerWaalsContact O-CG 3.23Å; R935-D939 PolarHBondContact O-N 3.13Å; R936-D939 PolarHBondContact O-N 2.86Å; D939-K943 WeakPolarHBondContact O-CG 3.45Å; D939-K943 PolarHBondContact O-N 2.91Å
940E91.3Very high90.9Very high101 Ų101109.9 Ų109.947%0.47250%0.501SS..Hα-helixtrans-70-36.6172.8-64.9-48143.900112.6R936 R938 K943 V944R936-E940 WeakPolarHBondContact O-CG 3.01Å; R936-E940 PolarHBondContact O-N 2.77Å; R938-E940 PolarHBondContact O-N 3.24Å; E940-K943 WeakPolarHBondContact O-CB 3.33Å; E940-K943 PolarHBondContact O-N 3.46Å; E940-K943 IonicContact OE1-NZ 3.26Å; E940-K943 PolarHBondContact OE1-NZ 2.98Å; E940-K943 WeakPolarHBondContact OE2-CD 3.29Å; E940-K943 WeakPolarHBondContact OE2-CE 3.43Å; E940-K943 IonicContact OE2-NZ 3.7Å; E940-K943 PolarHBondContact OE2-NZ 3.17Å; E940-V944 WeakPolarHBondContact O-CG2 3.48Å; E940-V944 PolarHBondContact O-N 2.73Å
941R90.7Very high91Very high171 Ų171110 Ų11065%0.64550%0.503SS*.Hα-helixtrans-62.6-45.3175.3-178.8178.5179.5154.26.1111.5Y937 R938 K943 V944 D945Y937-R941 WeakPolarHBondContact O-CB 3.5Å; Y937-R941 PolarHBondContact O-N 3.39Å; R938-R941 WeakPolarHBondContact O-CB 3.16Å; R938-R941 PolarHBondContact O-N 3.38Å; R938-R941 VanDerWaalsContact O-N 3.13Å; R941-K943 PolarHBondContact O-N 3.37Å; R941-V944 PolarHBondContact O-N 2.86Å; R941-V944 VanDerWaalsContact O-N 3.1Å; R941-D945 IonicContact NE-OD2 2.86Å; R941-D945 WeakPolarHBondContact O-CB 3.39Å; R941-D945 PolarHBondContact O-N 2.86Å
942D90.6Very high91.1Very high104 Ų104113.5 Ų113.556%0.55652%0.519SS*.Hα-helixtrans-62.6-32.8178.4-75.4-14.6000111.7R938 S946R938-D942 PolarHBondContact O-N 3.45Å; D942-S946 WeakPolarHBondContact O-CB 3.31Å; D942-S946 PolarHBondContact O-N 3.03Å
943K92.8Very high91.2Very high102 Ų102114.9 Ų114.944%0.44353%0.526SS..Hα-helixtrans-65.6-48.4170-68.2175.8-143.2167.30111.9D939 E940 R941 D945 S946 L947D939-K943 WeakPolarHBondContact O-CG 3.45Å; D939-K943 PolarHBondContact O-N 2.91Å; E940-K943 WeakPolarHBondContact O-CB 3.33Å; E940-K943 PolarHBondContact O-N 3.46Å; E940-K943 IonicContact OE1-NZ 3.26Å; E940-K943 PolarHBondContact OE1-NZ 2.98Å; E940-K943 WeakPolarHBondContact OE2-CD 3.29Å; E940-K943 WeakPolarHBondContact OE2-CE 3.43Å; E940-K943 IonicContact OE2-NZ 3.7Å; E940-K943 PolarHBondContact OE2-NZ 3.17Å; R941-K943 PolarHBondContact O-N 3.37Å; K943-D945 VanDerWaalsContact C-N 3.35Å; K943-D945 PolarHBondContact O-N 3.33Å; K943-S946 WeakPolarHBondContact O-CA 3.48Å; K943-S946 WeakPolarHBondContact O-CB 3.5Å; K943-S946 PolarHBondContact O-N 2.9Å; K943-S946 PolarHBondContact O-OG 3.29Å; K943-L947 WeakPolarHBondContact O-CG 3.47Å; K943-L947 PolarHBondContact O-N 3.49Å
944V92.5Very high91.3Very high92 Ų92113.5 Ų113.556%0.55852%0.524SS*.Hα-helixtrans-59.1-46.3177171.90000110.9E940 R941 S946 L947 A948E940-V944 WeakPolarHBondContact O-CG2 3.48Å; E940-V944 PolarHBondContact O-N 2.73Å; R941-V944 PolarHBondContact O-N 2.86Å; R941-V944 VanDerWaalsContact O-N 3.1Å; V944-S946 PolarHBondContact O-N 2.85Å; V944-L947 PolarHBondContact O-N 3Å; V944-L947 VanDerWaalsContact O-N 3.15Å; V944-A948 WeakPolarHBondContact O-CB 3.34Å; V944-A948 PolarHBondContact O-N 2.78Å
945D90.1Very high91.3Very high65 Ų65109.5 Ų109.535%0.34852%0.521SS..Hα-helixtrans-65.8-21.1176.6-73.4-19000112.1R941 K943 R949R941-D945 IonicContact NE-OD2 2.86Å; R941-D945 WeakPolarHBondContact O-CB 3.39Å; R941-D945 PolarHBondContact O-N 2.86Å; K943-D945 VanDerWaalsContact C-N 3.35Å; K943-D945 PolarHBondContact O-N 3.33Å; D945-R949 PolarHBondContact O-NE 3.34Å; D945-R949 PolarHBondContact O-NH2 3.28Å; D945-R949 VanDerWaalsContact O-NH2 3.15Å
946S91.1Very high91.3Very high55 Ų55105.7 Ų105.739%0.38552%0.518SS..Hα-helixtrans-79.5-41.4170.582.60000112.6D942 K943 V944 R949 V950D942-S946 WeakPolarHBondContact O-CB 3.31Å; D942-S946 PolarHBondContact O-N 3.03Å; K943-S946 WeakPolarHBondContact O-CA 3.48Å; K943-S946 WeakPolarHBondContact O-CB 3.5Å; K943-S946 PolarHBondContact O-N 2.9Å; K943-S946 PolarHBondContact O-OG 3.29Å; V944-S946 PolarHBondContact O-N 2.85Å; S946-R949 PolarHBondContact O-N 3.06Å; S946-V950 PolarHBondContact O-N 3.27Å
947L91.6Very high91.4Very high108 Ų108103.3 Ų103.357%0.56552%0.518SS*.Hα-helixtrans-67.7-38.6177.7-69.4173.1000111.6K943 V944 R949 V950 L951K943-L947 WeakPolarHBondContact O-CG 3.47Å; K943-L947 PolarHBondContact O-N 3.49Å; V944-L947 PolarHBondContact O-N 3Å; V944-L947 VanDerWaalsContact O-N 3.15Å; L947-R949 VanDerWaalsContact C-N 3.31Å; L947-R949 PolarHBondContact O-N 2.95Å; L947-V950 PolarHBondContact O-N 2.93Å; L947-V950 VanDerWaalsContact O-N 3.13Å; L947-L951 WeakPolarHBondContact O-CG 3.43Å; L947-L951 PolarHBondContact O-N 3.46Å
948A90.1Very high91.4Very high50 Ų50100.1 Ų100.141%0.41351%0.513SS..Hα-helixtrans-56.3-44.4173.900000111.9V944 V950 L951 E952V944-A948 WeakPolarHBondContact O-CB 3.34Å; V944-A948 PolarHBondContact O-N 2.78Å; A948-V950 PolarHBondContact O-N 3.38Å; A948-L951 PolarHBondContact O-N 3.4Å; A948-E952 WeakPolarHBondContact O-CB 3.41Å; A948-E952 PolarHBondContact O-N 2.98Å
949R91.6Very high91.4Very high156 Ų15698 Ų9859%0.58951%0.51SS*.Hα-helixtrans-64.5-35.1175.8-81.1174.7-82.5178.8-8113.1D945 S946 L947 Q953D945-R949 PolarHBondContact O-NE 3.34Å; D945-R949 PolarHBondContact O-NH2 3.28Å; D945-R949 VanDerWaalsContact O-NH2 3.15Å; S946-R949 PolarHBondContact O-N 3.06Å; L947-R949 VanDerWaalsContact C-N 3.31Å; L947-R949 PolarHBondContact O-N 2.95Å; R949-Q953 WeakPolarHBondContact O-CB 3.47Å; R949-Q953 PolarHBondContact O-N 3.33Å
950V93.3Very high91.4Very high68 Ų6896.8 Ų96.841%0.41251%0.512SS..Hα-helixtrans-69-41.3174.3175.30000111.2S946 L947 A948 Q953 Q954S946-V950 PolarHBondContact O-N 3.27Å; L947-V950 PolarHBondContact O-N 2.93Å; L947-V950 VanDerWaalsContact O-N 3.13Å; A948-V950 PolarHBondContact O-N 3.38Å; V950-Q953 PolarHBondContact O-N 2.95Å; V950-Q954 WeakPolarHBondContact O-CG 3.46Å; V950-Q954 PolarHBondContact O-N 2.88Å
951L92.2Very high91.4Very high112 Ų11295.6 Ų95.659%0.58651%0.514SS*.Hα-helixtrans-65.9-40.7176.1-70.1172.2000112.2L947 A948 Q953 Q954 A955L947-L951 WeakPolarHBondContact O-CG 3.43Å; L947-L951 PolarHBondContact O-N 3.46Å; A948-L951 PolarHBondContact O-N 3.4Å; L951-Q953 VanDerWaalsContact C-N 3.34Å; L951-Q954 PolarHBondContact O-N 3.42Å; L951-A955 WeakPolarHBondContact O-CB 3.44Å; L951-A955 PolarHBondContact O-N 3.3Å
952E90.3Very high91.4Very high141 Ų14193.6 Ų93.666%0.65951%0.507SS*.Hα-helixtrans-61.3-42.4173-174.3176-151.600111.4A948 A955 S956A948-E952 WeakPolarHBondContact O-CB 3.41Å; A948-E952 PolarHBondContact O-N 2.98Å; E952-A955 PolarHBondContact O-N 3.06Å; E952-S956 PolarHBondContact O-N 3.27Å
953Q92.5Very high91.3Very high130 Ų13091 Ų9161%0.60750%0.497SS*.Hα-helixtrans-62.4-43.8174.2-168.7176.713.800111.7R949 V950 L951 S956 V957R949-Q953 WeakPolarHBondContact O-CB 3.47Å; R949-Q953 PolarHBondContact O-N 3.33Å; V950-Q953 PolarHBondContact O-N 2.95Å; L951-Q953 VanDerWaalsContact C-N 3.34Å; Q953-S956 PolarHBondContact O-N 3.24Å; Q953-S956 PolarHBondContact O-OG 3.2Å; Q953-V957 PolarHBondContact O-N 3.22Å
954Q92.6Very high91.2Very high111 Ų11188.9 Ų88.952%0.51950%0.499SS..Hα-helixtrans-63.3-41.5175.3-72.7-179.6300112.3V950 L951 S956 V957 L958V950-Q954 WeakPolarHBondContact O-CG 3.46Å; V950-Q954 PolarHBondContact O-N 2.88Å; L951-Q954 PolarHBondContact O-N 3.42Å; Q954-S956 VanDerWaalsContact C-N 3.32Å; Q954-S956 PolarHBondContact O-N 2.89Å; Q954-V957 PolarHBondContact O-N 2.69Å; Q954-L958 WeakPolarHBondContact O-CG 3.29Å; Q954-L958 PolarHBondContact O-N 3.1Å
955A90Very high91Very high55 Ų5590.8 Ų90.846%0.45551%0.505SS..Hα-helixtrans-59.7-41.617500000111.8L951 E952 V957 L958 D959L951-A955 WeakPolarHBondContact O-CB 3.44Å; L951-A955 PolarHBondContact O-N 3.3Å; E952-A955 PolarHBondContact O-N 3.06Å; A955-V957 VanDerWaalsContact C-N 3.32Å; A955-V957 PolarHBondContact O-N 3.37Å; A955-L958 PolarHBondContact O-N 2.91Å; A955-D959 PolarHBondContact O-N 2.86Å
956S90.7Very high90.9Very high74 Ų7495.3 Ų95.352%0.51752%0.517SS..Hα-helixtrans-62.1-36.8176.379.90000113.1E952 Q953 Q954 D959 A960E952-S956 PolarHBondContact O-N 3.27Å; Q953-S956 PolarHBondContact O-N 3.24Å; Q953-S956 PolarHBondContact O-OG 3.2Å; Q954-S956 VanDerWaalsContact C-N 3.32Å; Q954-S956 PolarHBondContact O-N 2.89Å; S956-D959 PolarHBondContact O-N 3.26Å; S956-A960 WeakPolarHBondContact O-CB 3.48Å; S956-A960 PolarHBondContact O-N 3.39Å
957V92.9Very high90.7Very high84 Ų8498.1 Ų98.151%0.50952%0.524SS..Hα-helixtrans-69.4-43.8174.9174.60000110.8Q953 Q954 A955 D959 A960 C961Q953-V957 PolarHBondContact O-N 3.22Å; Q954-V957 PolarHBondContact O-N 2.69Å; A955-V957 VanDerWaalsContact C-N 3.32Å; A955-V957 PolarHBondContact O-N 3.37Å; V957-D959 VanDerWaalsContact C-N 3.29Å; V957-D959 PolarHBondContact O-N 3.39Å; V957-A960 WeakPolarHBondContact O-CB 3.49Å; V957-A960 PolarHBondContact O-N 3.03Å; V957-C961 PolarHBondContact O-N 3.5Å; V957-C961 PolarHBondContact O-SG 3.01Å; V957-C961 VanDerWaalsContact O-SG 3.37Å
958L91.3Very high90.4Very high122 Ų12295.6 Ų95.664%0.63952%0.519SS*.Hα-helixtrans-61.3-37.5175.9-71.2173.5000112Q954 A955 C961 R962Q954-L958 WeakPolarHBondContact O-CG 3.29Å; Q954-L958 PolarHBondContact O-N 3.1Å; A955-L958 PolarHBondContact O-N 2.91Å; L958-C961 PolarHBondContact O-N 3.4Å; L958-R962 WeakPolarHBondContact O-CB 3.27Å; L958-R962 PolarHBondContact O-N 2.89Å
959D89.9Confident90.2Very high71 Ų7196.2 Ų96.238%0.3852%0.52SS..Hα-helixtrans-74.7-31.8177.9-132.4-27.4000112.9A955 S956 V957 R962 S963A955-D959 PolarHBondContact O-N 2.86Å; S956-D959 PolarHBondContact O-N 3.26Å; V957-D959 VanDerWaalsContact C-N 3.29Å; V957-D959 PolarHBondContact O-N 3.39Å; D959-R962 PolarHBondContact O-N 2.83Å; D959-R962 IonicContact OD1-CZ 3.13Å; D959-R962 IonicContact OD1-NE 2.74Å; D959-R962 PolarHBondContact OD1-NE 2.74Å; D959-R962 IonicContact OD1-NH2 2.74Å; D959-R962 PolarHBondContact OD1-NH2 2.74Å; D959-R962 IonicContact OD2-CZ 3.77Å; D959-R962 IonicContact OD2-NH2 2.86Å; D959-R962 PolarHBondContact OD2-NH2 2.84Å; D959-S963 VanDerWaalsContact O-CB 3.27Å; D959-S963 WeakPolarHBondContact O-CB 3.37Å; D959-S963 PolarHBondContact O-N 3.45Å; D959-S963 PolarHBondContact O-OG 2.88Å
960A90.4Very high89.5Confident61 Ų6191.6 Ų91.650%0.50451%0.512SS..Hα-helixtrans-63-44.3167.600000111.5S956 V957 S963 A964S956-A960 WeakPolarHBondContact O-CB 3.48Å; S956-A960 PolarHBondContact O-N 3.39Å; V957-A960 WeakPolarHBondContact O-CB 3.49Å; V957-A960 PolarHBondContact O-N 3.03Å; A960-S963 PolarHBondContact O-N 3.28Å; A960-A964 WeakPolarHBondContact O-CB 3.43Å; A960-A964 PolarHBondContact O-N 2.88Å
961C91.9Very high88.9Confident76 Ų7697 Ų9751%0.51453%0.525SS..Hα-helixtrans-62.5-44.6173.7-710000112.2V957 L958 S963 A964 L965V957-C961 PolarHBondContact O-N 3.5Å; V957-C961 PolarHBondContact O-SG 3.01Å; V957-C961 VanDerWaalsContact O-SG 3.37Å; L958-C961 PolarHBondContact O-N 3.4Å; C961-S963 VanDerWaalsContact C-N 3.29Å; C961-S963 PolarHBondContact O-N 3.37Å; C961-A964 PolarHBondContact O-N 2.88Å; C961-L965 WeakPolarHBondContact O-CB 3.44Å; C961-L965 PolarHBondContact O-N 3.32Å
962R91Very high88.1Confident128 Ų12898.5 Ų98.548%0.48353%0.527SS..Hα-helixtrans-58.9-41.2175-175.6171.172.1157.5-4.3111.6L958 D959 R966L958-R962 WeakPolarHBondContact O-CB 3.27Å; L958-R962 PolarHBondContact O-N 2.89Å; D959-R962 PolarHBondContact O-N 2.83Å; D959-R962 IonicContact OD1-CZ 3.13Å; D959-R962 IonicContact OD1-NE 2.74Å; D959-R962 PolarHBondContact OD1-NE 2.74Å; D959-R962 IonicContact OD1-NH2 2.74Å; D959-R962 PolarHBondContact OD1-NH2 2.74Å; D959-R962 IonicContact OD2-CZ 3.77Å; D959-R962 IonicContact OD2-NH2 2.86Å; D959-R962 PolarHBondContact OD2-NH2 2.84Å; R962-R966 WeakPolarHBondContact O-CG 3.4Å; R962-R966 PolarHBondContact O-N 3.05Å
963S88.5Confident87.3Confident51 Ų51100.5 Ų100.536%0.35753%0.53SS..Hα-helixtrans-68.2-43.1177-62.50000112.2D959 A960 C961 R966 Q967D959-S963 VanDerWaalsContact O-CB 3.27Å; D959-S963 WeakPolarHBondContact O-CB 3.37Å; D959-S963 PolarHBondContact O-N 3.45Å; D959-S963 PolarHBondContact O-OG 2.88Å; A960-S963 PolarHBondContact O-N 3.28Å; C961-S963 VanDerWaalsContact C-N 3.29Å; C961-S963 PolarHBondContact O-N 3.37Å; S963-R966 PolarHBondContact O-N 3.26Å; S963-Q967 WeakPolarHBondContact O-CG 3.4Å; S963-Q967 PolarHBondContact O-N 2.79Å
964A90.3Very high86.1Confident57 Ų5799.7 Ų99.747%0.47153%0.528SS..Hα-helixtrans-63.4-41.6174.900000112.1A960 C961 R966 Q967 A968A960-A964 WeakPolarHBondContact O-CB 3.43Å; A960-A964 PolarHBondContact O-N 2.88Å; C961-A964 PolarHBondContact O-N 2.88Å; A964-R966 PolarHBondContact O-N 3.49Å; A964-Q967 PolarHBondContact O-N 3.21Å; A964-A968 PolarHBondContact O-N 3.07Å
965L89.3Confident84.6Confident131 Ų131103.7 Ų103.769%0.68654%0.539SS*.Hα-helixtrans-63.9-40.9177-162.877.6000111.7C961 Q967 A968 S969C961-L965 WeakPolarHBondContact O-CB 3.44Å; C961-L965 PolarHBondContact O-N 3.32Å; L965-Q967 PolarHBondContact O-N 3.38Å; L965-A968 PolarHBondContact O-N 3.48Å; L965-S969 WeakPolarHBondContact O-CB 3.43Å; L965-S969 PolarHBondContact O-N 2.9Å
966R87.5Confident83.1Confident160 Ų160106.4 Ų106.460%0.60454%0.542SS*.Hα-helixtrans-61.4-40.3172.8-77.7174.1169.1172-4.7112.2R962 S963 A964 S969 S970R962-R966 WeakPolarHBondContact O-CG 3.4Å; R962-R966 PolarHBondContact O-N 3.05Å; S963-R966 PolarHBondContact O-N 3.26Å; A964-R966 PolarHBondContact O-N 3.49Å; R966-S969 PolarHBondContact O-N 3.41Å; R966-S970 PolarHBondContact O-N 3.49Å; R966-S970 PolarHBondContact O-OG 3.21Å
967Q87.5Confident81.4Confident114 Ų114106.7 Ų106.753%0.53354%0.544SS..Hα-helixtrans-69.4-33.4174.8-68.9178.734.400113.2S963 A964 L965 S970 R971S963-Q967 WeakPolarHBondContact O-CG 3.4Å; S963-Q967 PolarHBondContact O-N 2.79Å; A964-Q967 PolarHBondContact O-N 3.21Å; L965-Q967 PolarHBondContact O-N 3.38Å; Q967-S970 PolarHBondContact O-OG 3.17Å; Q967-R971 VanDerWaalsContact O-CG 3.25Å; Q967-R971 WeakPolarHBondContact O-CG 3.25Å; Q967-R971 PolarHBondContact O-N 2.99Å
968A85.2Confident79.6Confident56 Ų56107.4 Ų107.446%0.46355%0.548SS..Hα-helixtrans-68.1-44173.400000111.2A964 L965 R971 F972A964-A968 PolarHBondContact O-N 3.07Å; L965-A968 PolarHBondContact O-N 3.48Å; A968-R971 PolarHBondContact O-N 3.4Å; A968-F972 PolarHBondContact O-N 3.42Å
969S85.2Confident77.7Confident62 Ų62107.8 Ų107.843%0.43455%0.551SS.*Hα-helixtrans-62.7-44.5177-1770000112.5L965 R966 R971 F972 Y973L965-S969 WeakPolarHBondContact O-CB 3.43Å; L965-S969 PolarHBondContact O-N 2.9Å; R966-S969 PolarHBondContact O-N 3.41Å; S969-R971 PolarHBondContact O-N 3.04Å; S969-F972 WeakPolarHBondContact O-CA 3.39Å; S969-F972 WeakPolarHBondContact O-CB 3.49Å; S969-F972 PolarHBondContact O-N 2.99Å; S969-Y973 PolarHBondContact O-N 2.97Å
970S77.9Confident75.5Confident60 Ų60111 Ų11142%0.4257%0.568SS.*Hα-helixtrans-64.6-38.217767.40000112.6R966 Q967 F972 Y973 I974R966-S970 PolarHBondContact O-N 3.49Å; R966-S970 PolarHBondContact O-OG 3.21Å; Q967-S970 PolarHBondContact O-OG 3.17Å; S970-F972 VanDerWaalsContact C-N 3.29Å; S970-F972 PolarHBondContact O-N 3.43Å; S970-Y973 PolarHBondContact O-N 2.93Å; S970-I974 WeakPolarHBondContact O-CD1 3.47Å; S970-I974 VanDerWaalsContact O-CG1 3.27Å; S970-I974 WeakPolarHBondContact O-CG1 3.4Å; S970-I974 PolarHBondContact O-N 2.94Å
971R79.4Confident73Confident180 Ų180112.5 Ų112.568%0.67958%0.575SS**Hα-helixtrans-61.1-36.3170.2-72.8173-175.5-1673.7112.2Q967 A968 S969 R975Q967-R971 VanDerWaalsContact O-CG 3.25Å; Q967-R971 WeakPolarHBondContact O-CG 3.25Å; Q967-R971 PolarHBondContact O-N 2.99Å; A968-R971 PolarHBondContact O-N 3.4Å; S969-R971 PolarHBondContact O-N 3.04Å; R971-R975 WeakPolarHBondContact O-CB 3.49Å; R971-R975 PolarHBondContact O-N 3.01Å
972F76.2Confident70.3Confident145 Ų145113.6 Ų113.664%0.63658%0.583SS**Hα-helixtrans-69.2-44.4177.7-145.4-82.3000111.9A968 S969 S970 I974 R975 H976A968-F972 PolarHBondContact O-N 3.42Å; S969-F972 WeakPolarHBondContact O-CA 3.39Å; S969-F972 WeakPolarHBondContact O-CB 3.49Å; S969-F972 PolarHBondContact O-N 2.99Å; S970-F972 VanDerWaalsContact C-N 3.29Å; S970-F972 PolarHBondContact O-N 3.43Å; F972-I974 PolarHBondContact O-N 3.37Å; F972-R975 PolarHBondContact O-N 3.16Å; F972-R975 VanDerWaalsContact O-N 3.16Å; F972-H976 PolarHBondContact O-N 3.49Å
973Y72.2Confident67.9Low182 Ų182117.1 Ų117.171%0.71460%0.602SS**Hα-helixtrans-58.9-45.7172.9-97.6-83.6000112.4S969 S970 R975 H976 S977S969-Y973 PolarHBondContact O-N 2.97Å; S970-Y973 PolarHBondContact O-N 2.93Å; Y973-R975 VanDerWaalsContact C-N 3.29Å; Y973-R975 PolarHBondContact O-N 3.41Å; Y973-H976 PolarHBondContact O-N 3.31Å; Y973-S977 WeakPolarHBondContact O-CB 3.27Å; Y973-S977 PolarHBondContact O-N 2.93Å
974I68.2Low65.6Low113 Ų113123.8 Ų123.858%0.57963%0.628SS**Hα-helixtrans-60.5-41175.2-68.5164.2000110.5S970 F972 H976 S977 V978S970-I974 WeakPolarHBondContact O-CD1 3.47Å; S970-I974 VanDerWaalsContact O-CG1 3.27Å; S970-I974 WeakPolarHBondContact O-CG1 3.4Å; S970-I974 PolarHBondContact O-N 2.94Å; F972-I974 PolarHBondContact O-N 3.37Å; I974-H976 PolarHBondContact O-N 3.4Å; I974-S977 PolarHBondContact O-N 3.25Å; I974-V978 WeakPolarHBondContact O-CG2 3.43Å; I974-V978 PolarHBondContact O-N 3.49Å
975R61.5Low63.1Low196 Ų196128.9 Ų128.974%0.7465%0.646SS**Hα-helixtrans-66.8-35.7178.4-156.1176.1-158.9174.25.7112.7R971 F972 Y973R971-R975 WeakPolarHBondContact O-CB 3.49Å; R971-R975 PolarHBondContact O-N 3.01Å; F972-R975 PolarHBondContact O-N 3.16Å; F972-R975 VanDerWaalsContact O-N 3.16Å; Y973-R975 VanDerWaalsContact C-N 3.29Å; Y973-R975 PolarHBondContact O-N 3.41Å
976H58.7Low60.5Low112 Ų112131.7 Ų131.752%0.51965%0.653SS.*Hα-helixtrans-71.5-40.3175.3-136.5-74.8000111.9F972 Y973 I974 V978 N979F972-H976 PolarHBondContact O-N 3.49Å; Y973-H976 PolarHBondContact O-N 3.31Å; I974-H976 PolarHBondContact O-N 3.4Å; H976-V978 PolarHBondContact O-N 3.14Å; H976-V978 VanDerWaalsContact O-N 3.14Å; H976-N979 PolarHBondContact O-N 3.44Å
977S55.4Low58.1Low80 Ų80135.6 Ų135.656%0.55967%0.667SS**Hα-helixtrans-57.7-26.4175.2-179.30000113.9Y973 I974 S981Y973-S977 WeakPolarHBondContact O-CB 3.27Å; Y973-S977 PolarHBondContact O-N 2.93Å; I974-S977 PolarHBondContact O-N 3.25Å; S977-S981 PolarHBondContact O-OG 2.98Å
978V54.6Low55.7Low98 Ų98134.4 Ų134.459%0.59467%0.672SS**Hα-helixtrans-80.5-24.3177173.60000112.1I974 H976I974-V978 WeakPolarHBondContact O-CG2 3.43Å; I974-V978 PolarHBondContact O-N 3.49Å; H976-V978 PolarHBondContact O-N 3.14Å; H976-V978 VanDerWaalsContact O-N 3.14Å
979N50Low53.5Low130 Ų130139.8 Ų139.870%0.69569%0.692SS**Hα-helixtrans-80.2-29-179.2-95.423.5000114.1H976 S981H976-N979 PolarHBondContact O-N 3.44Å; N979-S981 VanDerWaalsContact C-N 3.27Å; N979-S981 PolarHBondContact O-N 3.21Å
980D44.6Very low51.1Low138 Ų138141.9 Ų141.974%0.73871%0.707SS**SBendtrans-79.6-6.2177-84.2-60000113.9S982D980-S982 PolarHBondContact O-N 3.45Å
981S37.6Very low49.5Very low94 Ų94144.9 Ų144.966%0.65773%0.725SS**  trans-91.566.8-178.9-65.40000112.3S977 N979S977-S981 PolarHBondContact O-OG 2.98Å; N979-S981 VanDerWaalsContact C-N 3.27Å; N979-S981 PolarHBondContact O-N 3.21Å
982S35.9Very low47.3Very low99 Ų99142 Ų14269%0.69273%0.731SS**  trans-145.863.2-179-82.70000115.6D980D980-S982 PolarHBondContact O-N 3.45Å
983K39.7Very low45.2Very low201 Ų201140 Ų14087%0.87474%0.735SS**  trans-163.4137.3153.7-102.7139.5-173.3174.60111.5
984Q41.8Very low43.3Very low191 Ų191137 Ų13789%0.89374%0.735SS**  trans64.1156.6176.5-53.9-174.7300117.3
985L37Very low41.5Very low164 Ų164137.9 Ų137.986%0.85975%0.746SS**  -148155.6-53.3-16164.8000110.2
986K35Very low40.1Very low191 Ų191132.9 Ų132.983%0.8374%0.741SS**  trans-66.5132.6-169.9-55.7167.1-179.81750115.7
987R37.4Very low38.9Very low241 Ų241134.5 Ų134.591%0.90975%0.754SS**  trans164.5150.2134.8-95165.8172.3159.3-2.9110.4
988S37.1Very low37.9Very low90 Ų90138.7 Ų138.763%0.62976%0.762SS**  cis177.6145.8-27.4470000109.3
989L38Very low36.8Very low168 Ų168141.3 Ų141.388%0.8877%0.767SS**  trans71.4150172.5-50.5171.5000115.7
990S34.5Very low36Very low106 Ų106139.8 Ų139.874%0.74177%0.767SS**  cis-164.2158.1-17.945.70000110.8
991P45.2Very low35.6Very low123 Ų123140.4 Ų140.480%0.79977%0.769SS**  trans-107.6156.2-169.639.7-34.2000116.6
992C33.2Very low35.4Very low121 Ų121145.7 Ų145.782%0.81877%0.774SS**  trans-174.5124154.1-105.50000108.9
993S32.6Very low35.4Very low103 Ų103145.8 Ų145.872%0.7278%0.775SS**  72.1140.786.783.20000115.2
994V30.6Very low35.2Very low117 Ų117141.8 Ų141.871%0.70977%0.767SS**  cis-169.7161.1-8.4122.30000107.6
995T31.4Very low35Very low133 Ų133141.2 Ų141.282%0.81676%0.762SS**  trans64.8153.7172.2390000117.9
996S31.8Very low34.9Very low90 Ų90140.4 Ų140.463%0.62975%0.754SS**  cis-163172.3-3.945.60000113
997N32.7Very low34.8Very low147 Ų147136.4 Ų136.479%0.78675%0.745SS**  trans72.291.2151.3-63.6-9.7000122.1
998K34.6Very low34.6Very low168 Ų168133.5 Ų133.573%0.7374%0.74SS**  32.9121110.1-167.7169.8178.6177.40120.9
999E31.6Very low34.4Very low152 Ų152135.2 Ų135.271%0.7175%0.746SS**  trans72.3109.7149.6-76.1164.3-164.400123.1
1000S33.8Very low34.1Very low98 Ų98132.2 Ų132.269%0.68574%0.74SS**  81.6126.7127.3-73.40000123.8
1001I36.1Very low33.8Very low152 Ų152134.8 Ų134.878%0.77975%0.745SS**  trans78134.2136-70.3170.9000115.5
1002R34.3Very low33.1Very low205 Ų205133.6 Ų133.677%0.77474%0.739SS**  cis-160.5153.422.9-147.9168.4-162.8172.44.4114.7
1003S34.7Very low33Very low101 Ų101135.5 Ų135.571%0.70674%0.741SS**  trans65.4160.614557.80000119.8
1004T36Very low32.8Very low116 Ų116137.2 Ų137.271%0.71275%0.747SS**  cis-143.4148.62550.80000116.3
1005K36.7Very low32.7Very low179 Ų179138.6 Ų138.678%0.77875%0.75SS**  trans65.4137.8161-68.6178.1172.7-1780115.3
1006Q35.5Very low32.6Very low148 Ų148140 Ų14069%0.69275%0.753SS**  cis-167.2168.51.8-127.6172.8-111.500108.2
1007T33Very low32.4Very low106 Ų106143.3 Ų143.365%0.6576%0.763SS**  cis-150.2-174.17-30.40000111.6
1008K33.8Very low32Very low181 Ų181142 Ų14279%0.78777%0.765SS**  trans-34.8160.9156-65178.6177.4-1720116.4
1009T32.3Very low31.7Very low126 Ų126142.4 Ų142.477%0.77377%0.774SS**  cis-170.4175.8118.70000107.9
1010S31.9Very low31.5Very low105 Ų105139.3 Ų139.373%0.73477%0.769SS**  cis-163.8-176.6-5.538.60000109.3
1011D28.7Very low31.2Very low159 Ų159141.3 Ų141.385%0.8577%0.772SS**  trans-86.4177.3-173.8-61.6-81.3000117.7
1012S30.3Very low31Very low98 Ų98139.3 Ų139.369%0.68577%0.772SS**  trans-54168.1-173.363.20000122
1013L30.3Very low30.7Very low162 Ų162138 Ų13885%0.84878%0.779SS**  trans81.7118.4155.1-64.5176.5000119.7
1014T28Very low30.6Very low139 Ų139139.9 Ų139.985%0.85378%0.781SS**  trans-154.1148.3137.818.30000109.4
1015N30.3Very low30.5Very low146 Ų146141 Ų14178%0.78178%0.783SS**  trans-77.6144.6148.1-71-16.7000107
1016D27.5Very low30.3Very low161 Ų161135 Ų13586%0.86177%0.771SS**  -174175.2113-102.7-30.4000113.1
1017L27.7Very low30.3Very low161 Ų161134.9 Ų134.984%0.84378%0.776SS**  trans-81.5171.3-174.3-74.5159.8000113.9
1018S24.4Very low30.3Very low118 Ų118136.9 Ų136.983%0.82578%0.781SS**  trans73.1120.7166.274.60000117.5
1019L29Very low30.4Very low178 Ų178132 Ų13293%0.93277%0.769SS**  trans-148.5105.4150.1-128172.1000106.9
1020S26.6Very low30.3Very low86 Ų86135.1 Ų135.160%0.60177%0.772SS**  trans-93.8156.4172.266.90000110.6
1021D28.5Very low30.4Very low140 Ų140136.7 Ų136.775%0.74978%0.777SS**  trans73.5135.5153.4-51-42.2000121.7
1022S31.5Very low30.7Very low111 Ų111134.7 Ų134.778%0.77677%0.771SS**  trans79.493.2147.8-57.40000119.8
1023L28.9Very low30.6Very low176 Ų176137.8 Ų137.892%0.92177%0.774SS**  trans-118.7106.6142.7-77.9175.8000110
1024N33Very low30.7Very low141 Ų141135.8 Ų135.875%0.75477%0.769SS**  trans-115.1152.9155.6-8952.5000106.6
1025D32.7Very low30.8Very low140 Ų140136.1 Ų136.175%0.74977%0.766SS**  cis-154.2169.87.9-139.5-44.6000111.3
1026G32.1Very low30.9Very low52 Ų52133.6 Ų133.654%0.53676%0.759SS.*  trans109.895.9158.400000118.1
1027N35Very low31Very low147 Ų147130.7 Ų130.779%0.78675%0.752SS**  55.8135.2108.4-69.4-33.8000119.2
1028I34.4Very low31.2Very low148 Ų148129.4 Ų129.476%0.75975%0.75SS**  cis-169.4163.115.7-126.9178.1000109.1
1029S34.6Very low31.5Very low77 Ų77129.4 Ų129.454%0.53875%0.745SS.*  cis-163.9148.1-7.1-151.10000110.4
1030K32.2Very low31.7Very low192 Ų192129.5 Ų129.584%0.83574%0.738SS**  trans68.1148.5157.2-63.3164.8-174.5-174.60117
1031V33.3Very low32Very low138 Ų138132.6 Ų132.684%0.83675%0.748SS**  cis-139.7156.535.2169.60000112.9
1032V33.7Very low32.2Very low118 Ų118132.2 Ų132.272%0.71575%0.75SS**  trans-79.1125.1176.8169.90000110.3
1033E29.6Very low32.2Very low162 Ų162132.2 Ų132.276%0.75775%0.749SS**  80.8140.275.1-145.8-178.6-14000114.9
1034T32.4Very low32.5Very low121 Ų121131.2 Ų131.274%0.74274%0.74SS**  trans65.2151.1177.963.30000117.1
1035D30.6Very low32.5Very low146 Ų146131.8 Ų131.878%0.78174%0.738SS**  cis-149.4171.312.7-142.8-18.1000115.9
1036S30.7Very low32.4Very low92 Ų92129.8 Ų129.864%0.64373%0.731SS**  trans-28.3157.5-174.873.20000126.4
1037S30.3Very low32.4Very low101 Ų101132.8 Ų132.871%0.70674%0.739SS**  116112.5123.180.10000123
1038T31.6Very low32.3Very low133 Ų133133.8 Ų133.882%0.81674%0.741SS**  trans68.3146.5132.4-22.50000125.3
1039V32.1Very low32.3Very low119 Ų119132.8 Ų132.872%0.72174%0.742SS**  trans9988.7154.2-164.10000120.8
1040K32.5Very low32.2Very low180 Ų180133.8 Ų133.878%0.78375%0.748SS**  44.5146123.5-63.5-174.4177.1-179.40124.7
1041N33.5Very low32Very low150 Ų150129.9 Ų129.980%0.80275%0.746SS**  trans75.8150.2154.7-59.2-10.6000116.7
1042V32Very low32Very low132 Ų132130 Ų13080%0.875%0.746SS**  cis-133.5160.313.8176.30000111.9
1043C31.8Very low31.8Very low112 Ų112129.6 Ų129.676%0.75775%0.748SS**  trans-25.9158.7157.1-122.70000117.2
1044E33.8Very low31.9Very low155 Ų155127.5 Ų127.572%0.72475%0.752SS**  cis-149.1-179.539.3-69.2-169.881.300112.1
1045Q34.6Very low31.8Very low153 Ų153129 Ų12972%0.71576%0.756SS**  cis-157.4-1680.6-137.2-167.966.200113.7
1046T30.8Very low31.7Very low98 Ų98128.7 Ų128.760%0.60176%0.758SS**  trans-43.3159.1165.4-20000116.9
1047T32.1Very low31.5Very low115 Ų115130.4 Ų130.471%0.70677%0.77SS**  cis-151145.327.750.20000116.3
1048M31.9Very low31.3Very low168 Ų168134.3 Ų134.383%0.82878%0.777SS**  trans49141.7134.5-52.9-65.2-168.300121
1049V33.7Very low31.1Very low127 Ų127135.7 Ų135.777%0.7778%0.78SS**  cis-149.6149.714.3-161.60000110.6
1050S33.7Very low30.9Very low97 Ų97140 Ų14068%0.67879%0.789SS**  trans35.9132.115763.70000122.7
1051S27.5Very low30.7Very low111 Ų111139.5 Ų139.578%0.77679%0.792SS**  cis90.368.91691.70000119.4
1052V33.3Very low30.5Very low140 Ų140139.9 Ų139.985%0.84879%0.794SS**  trans-168.4140.5148.8-100.10000108
1053S30.3Very low30.4Very low109 Ų109137.5 Ų137.576%0.76280%0.796SS**  cis-146.4151.8-5.3-63.70000109.7
1054S30.9Very low30.2Very low118 Ų118140.1 Ų140.183%0.82580%0.801SS**  trans-154.376166.162.20000111.4
1055D29.2Very low30.1Very low154 Ų154141.9 Ų141.982%0.82481%0.807SS**  trans-126.5164.5171.7-85.7-57.5000109.6
1056V29.2Very low30Very low139 Ų139140.7 Ų140.784%0.84281%0.81SS**  trans70.572.8-178.6-164.30000114.2
1057S26.3Very low30Very low127 Ų127145.5 Ų145.589%0.88883%0.826SS**  trans-151.333.7154.6-77.80000113.1
1058E26.7Very low30Very low183 Ų183148.8 Ų148.886%0.85583%0.833SS**  trans-152.997.6171.8-130169.3-138.300110.4
1059N27.5Very low29.9Very low162 Ų162145 Ų14587%0.86683%0.829SS**  trans173.579.8160.8-99.9-40.3000110.6
1060F27.1Very low29.9Very low210 Ų210147.5 Ų147.592%0.92184%0.836SS**SBendtrans-169.973.4153.2-107.7-62.9000110.5
1061M28.2Very low29.9Very low169 Ų169149 Ų14983%0.83384%0.841SS**SBendtrans176.6149.6152.2-97.9-70.5-94.500108.8
1062N30.5Very low30.5Very low159 Ų159149.2 Ų149.285%0.8584%0.84SS**  trans79.8119.7-175.9-51.8-29.8000115.7
1063G29.4Very low30.4Very low82 Ų82148.8 Ų148.885%0.84584%0.842SS**  trans163.350.1-175.400000112.9
1064L27.3Very low30.3Very low166 Ų166150 Ų15087%0.86984%0.84SS**  trans-138.5139.8178.4-106.9171.9000109.5
1065K32Very low30.4Very low193 Ų193151.4 Ų151.484%0.83984%0.843SS**  trans72.5140.1-165.6-52.3177.2-178.1-179.50112.5
1066T31.4Very low30.5Very low128 Ų128150.3 Ų150.379%0.78584%0.837SS**  cis-163.3145.7-5.911.10000108.4
1067E32.2Very low30.8Very low199 Ų199152.4 Ų152.493%0.9384%0.835SS**  trans-155.3166.3141.6-128.9174.4-151.500110.3
1068E32.4Very low31.2Very low184 Ų184152.6 Ų152.686%0.8683%0.826SS**  trans-113.1159.8-159.4-63.1-177.7115.100114.5
1069A29.8Very low31.5Very low89 Ų89148.6 Ų148.674%0.73682%0.824SS**  trans19125.7154.600000121
1070L32.4Very low31.4Very low178 Ų178146.2 Ų146.293%0.93282%0.821SS**  -144.3155.8125.4-14074.7000112.1
1071V33.5Very low31.8Very low129 Ų129143 Ų14378%0.78282%0.818SS**  trans-110.6148.2-172.9168.20000109.2
1072P41.1Very low32Very low115 Ų115138.8 Ų138.875%0.74781%0.81SS**  trans-93164.7-160.936.7-37.6000115.1
1073C31.1Very low32Very low132 Ų132137.9 Ų137.989%0.89280%0.804SS**  trans-159.9158.6151.4-100.50000112.2
1074N28.4Very low32.1Very low134 Ų134142.5 Ų142.572%0.71780%0.803SS**  trans-89.4164.2-175.3-56.6-12.4000113.2
1075V33.7Very low32.3Very low148 Ų148138.7 Ų138.790%0.89779%0.79SS**  trans-140.8126.8137.8-176.90000109.3
1076D30.2Very low32.2Very low130 Ų130136 Ų13670%0.69579%0.786SS**  trans-86.3163.3-179.3-53.3-95.1000114
1077K36.1Very low32.1Very low184 Ų184137.1 Ų137.180%0.879%0.785SS**  trans-171.8144.2147.2-81.1-152.7163.8-160.20109.4
1078D34Very low32Very low131 Ų131134.1 Ų134.170%0.70178%0.78SS**  cis-162.3130-15.1-99.4-29.5000106.9
1079A32.6Very low31.8Very low99 Ų99132.9 Ų132.982%0.81878%0.779SS**  trans168.3140.5152.100000111.9
1080S27Very low31.9Very low112 Ų112134.2 Ų134.278%0.78378%0.783SS**  trans-151.5-173.2-179.1-61.10000111.5
1081T34Very low31.7Very low143 Ų143131.7 Ų131.788%0.87778%0.775SS**  trans79.5144.9-178.275.50000114.9
1082A32.4Very low31.6Very low79 Ų79133.4 Ų133.465%0.65378%0.78SS**  cis-156.2137.8-7.900000108.6
1083I31.1Very low31Very low141 Ų141136.5 Ų136.572%0.72378%0.784SS**  75.7134.891.8-61.4169.8000114.9
1084E31.6Very low31.2Very low179 Ų179140 Ų14084%0.83678%0.784SS**  trans65158.7165.6-78154.6-160.300118.9
1085S30.6Very low31.3Very low85 Ų85141.7 Ų141.759%0.59479%0.788SS**  cis-167.9-179.2-3455.30000110.9
1086D31.2Very low31.3Very low138 Ų138141.7 Ų141.774%0.73878%0.78SS**  trans73.4106.2152-57.8-44.7000123.5
1087I28.5Very low31.4Very low150 Ų150144 Ų14477%0.76978%0.784SS**  trans-18.7135.1132.4-60.6154.8000115.1
1088T30.5Very low31.3Very low136 Ų136141.5 Ų141.583%0.83478%0.784SS**  trans-159.4152.7137.51.20000112.7
1089L27.4Very low31.8Very low158 Ų158140.4 Ų140.483%0.82778%0.784SS**  trans-88.1152171.7-57.396.5000110.8
1090S32.1Very low31.9Very low118 Ų118142.9 Ų142.983%0.82578%0.782SS**  trans-151.6133.8134.7570000111.9
1091T27.9Very low32.2Very low125 Ų125145.9 Ų145.977%0.76779%0.786SS**  trans-91.1149.7161.2460000108.9
1092N32.1Very low32.1Very low165 Ų165148.1 Ų148.188%0.88279%0.786SS**  trans-166.3145.8138.7-103.2-39.2000111.9
1093E29.4Very low32.4Very low180 Ų180149.4 Ų149.484%0.84179%0.786SS**  trans-88.8154.6179.8-55.2164.9124.400111
1094K34.8Very low32.6Very low204 Ų204152.1 Ų152.189%0.88779%0.793SS**  -164.5147129-111.7160.6-172.7171.30114
1095E31.1Very low33.1Very low171 Ų171147.4 Ų147.480%0.79979%0.785SS**  trans-75.8158.5-178.4-47.4154.594.500112.1
1096M31.9Very low33.6Very low148 Ų148151.2 Ų151.273%0.72980%0.798SS**  -176.1147103.3-102.5-16217900115.3
1097K33Very low33.9Very low179 Ų179154.3 Ų154.378%0.77883%0.829SS**  trans73.399.3151-69.8162.3-179.4164.10119.6
1098T35Very low34.2Very low130 Ų130154.6 Ų154.680%0.79883%0.832SS**  trans-73.6163.2135.850.70000111.3
1099P44.4Very low34.4Very low109 Ų109155.5 Ų155.571%0.70883%0.832SS**  -130.1126.7128.434.1-24.4000111.3
1100I33.8Very low34.8Very low150 Ų150155.4 Ų155.477%0.76983%0.832SS**  64.1102.194.4-57.4159.7000113.8
1101M34.1Very low34.9Very low176 Ų176157.6 Ų157.687%0.86783%0.832SS**  -166.8127.5109.1-99.5-166.4-179.600111.4
1102E30.8Very low35.3Very low189 Ų189159.6 Ų159.688%0.88384%0.836SS**  trans-100.8133.2159.6-68179.6114.300109
1103T38.4Very low35.6Very low107 Ų107159.3 Ų159.366%0.65683%0.833SS**  trans176.2143.8158.2140000107.6
1104F36.9Very low36Very low198 Ų198157.8 Ų157.887%0.86883%0.833SS**  cis-131.6162.35.9-100.8-83000111
1105A41.3Very low36.1Very low79 Ų79154.2 Ų154.265%0.65383%0.828SS**  trans-98.5163.5157.400000110.6
1106N42Very low36.5Very low165 Ų165152.8 Ų152.888%0.88283%0.831SS**  trans65.292.4173.3-61.5-6.2000117.4
1107C36.7Very low36.9Very low204 Ų204153.3 Ų153.3100%1.37884%0.84SS**  -145.40125.9-163.20000109.7

Retrieved 1,107 of 1,107 residues in 251.5 ms (Link to these results)

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