A0A5K4FAZ0_SCHMA Loading...

Voltage-gated inwardly rectifying potassium channel KCNH3

Pore-forming (alpha) subunit of a voltage-gated inwardly rectifying potassium channel. Charactherized by a fast rate of activation during depolarization followed by a rapid inactivation at much more depolarized value causing inward rectification due to a C-type inactivation mechanism. Exhibits a rapid recovery from inactivation.

AlphaFold DB , UniProt , Accession A0A5K4FAZ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,382 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
1M28.6Very low49.6Very low126 Ų12689.3 Ų89.362%0.62145%0.454SS*.  095.30-77-174.1171.900110Q3 Q529 K1073M1-Q3 PolarHBondContact O-N 2.82Å; M1-Q529 VanDerWaalsContact CA-OE1 3.29Å; M1-Q529 PolarHBondContact O-NE2 3.5Å; M1-Q529 PolarHBondContact O-OE1 2.9Å; M1-K1073 HydrophobicContact CE-CB 4.03Å; M1-K1073 HydrophobicContact CE-CG 4.13Å
2P41.2Very low50.8Low83 Ų8386.8 Ų86.854%0.53944%0.443SS..  trans-44.1137.6167.723.6-34.8000109.3R4 T1078P2-R4 PolarHBondContact O-N 3.44Å; P2-T1078 HydrophobicContact CG-CG2 4.4Å
3Q47Very low52Low34 Ų3483.1 Ų83.116%0.15943%0.427CS..  trans-38134.9-171.9-60.7178.610.800110.1M1 K5 H390 R526M1-Q3 PolarHBondContact O-N 2.82Å; Q3-K5 VanDerWaalsContact C-N 3.28Å; Q3-K5 PolarHBondContact O-N 2.88Å; Q3-H390 PolarHBondContact NE2-O 3.4Å; Q3-H390 VanDerWaalsContact OE1-C 3.32Å; Q3-H390 PolarHBondContact OE1-CD2 2.74Å; Q3-H390 VanDerWaalsContact OE1-CD2 3.26Å; Q3-H390 PolarHBondContact OE1-O 3.36Å; Q3-R526 HydrophobicContact CG-CG 4.26Å
4R51.5Low53.2Low215 Ų21583 Ų8381%0.81142%0.422SS*.  trans-52.594.9179-74.7-172.8-179.1-176.12.1108.9P2 G6P2-R4 PolarHBondContact O-N 3.44Å; R4-G6 VanDerWaalsContact C-N 3.32Å; R4-G6 PolarHBondContact O-N 2.88Å
5K56.7Low54.4Low111 Ų11180.5 Ų80.548%0.48341%0.41SS..  trans-62.199.7176.3-70.7-178.5-175.9175.10104.3Q3 L7 D1080Q3-K5 VanDerWaalsContact C-N 3.28Å; Q3-K5 PolarHBondContact O-N 2.88Å; K5-L7 PolarHBondContact O-N 3.44Å; K5-D1080 IonicContact NZ-OD2 2.64Å; K5-D1080 PolarHBondContact NZ-OD2 3.41Å
6G49.3Very low55.2Low11 Ų1181.6 Ų81.611%0.11342%0.417CS..PPolyproline II helixtrans-55.6136.3-177.900000109.4R4 L8 G456 V458R4-G6 VanDerWaalsContact C-N 3.32Å; R4-G6 PolarHBondContact O-N 2.88Å; G6-L8 PolarHBondContact O-N 3.33Å; G6-G456 CarbonylContact C-O 3.46Å; G6-G456 VanDerWaalsContact C-O 3.3Å; G6-G456 WeakPolarHBondContact CA-O 3.28Å; G6-V458 WeakPolarHBondContact O-CG2 3.4Å
7L54.2Low56.1Low141 Ų14180.4 Ų80.474%0.73841%0.414SS*.BIsolated β-bridgetrans-63.4127.6-177.3-70.6173000108.7K5 A9 G456K5-L7 PolarHBondContact O-N 3.44Å; L7-A9 PolarHBondContact O-N 3.08Å; L7-G456 PolarHBondContact N-O 2.94Å
8L53.8Low57Low42 Ų4276.9 Ų76.922%0.2240%0.396CS..PPolyproline II helixtrans-61.6127.8165.7-77.1157.6000107.2G6 P10 V378 V381G6-L8 PolarHBondContact O-N 3.33Å; L8-P10 WeakPolarHBondContact O-CD 3.41Å; L8-V378 HydrophobicContact CB-CG1 3.75Å; L8-V378 HydrophobicContact CD1-CG1 4.2Å; L8-V381 HydrophobicContact CD2-CB 4.04Å; L8-V381 HydrophobicContact CD2-CG2 3.85Å
9A50.3Low57.7Low43 Ų4373.5 Ų73.536%0.35538%0.381SS..PPolyproline II helixtrans-56.7125.8174.600000109L7 T13L7-A9 PolarHBondContact O-N 3.08Å; A9-T13 HydrophobicContact CB-CG2 4.14Å
10P56.7Low58.3Low74 Ų7475.2 Ų75.248%0.48140%0.395SS..PPolyproline II helixtrans-52.1146.1174.7-28.534.7000111.2L8 N12 T13L8-P10 WeakPolarHBondContact O-CD 3.41Å; P10-N12 PolarHBondContact O-N 3.49Å; P10-T13 HydrophobicContact CB-CG2 4.34Å; P10-T13 HydrophobicContact CG-CG2 4.4Å; P10-T13 WeakPolarHBondContact O-CG2 3.32Å; P10-T13 PolarHBondContact O-N 2.63Å; P10-T13 PolarHBondContact O-OG1 3.01Å
11Q56.3Low58.8Low102 Ų10278.4 Ų78.448%0.47740%0.402SS..THydrogen-bonded Turntrans-53.8-32.4-178.6-71.5-169.9-19.300112.4T13 F14Q11-T13 VanDerWaalsContact C-N 3.27Å; Q11-T13 PolarHBondContact O-N 2.94Å; Q11-F14 WeakPolarHBondContact O-CD1 3.34Å
12N64.6Low60.6Low60 Ų6074 Ų7432%0.32138%0.379SS..THydrogen-bonded Turntrans-74-2.9-179.8-66.74.3000115.1P10 F14 L15 Y376P10-N12 PolarHBondContact O-N 3.49Å; N12-F14 PolarHBondContact O-N 3.26Å; N12-L15 HydrophobicContact CB-CD1 4.29Å; N12-L15 VanDerWaalsContact O-CB 3.28Å; N12-L15 WeakPolarHBondContact O-CB 3.32Å; N12-L15 PolarHBondContact O-N 2.75Å; N12-Y376 WeakPolarHBondContact ND2-CE1 3.41Å
13T65.6Low61.7Low38 Ų3873.1 Ų73.123%0.23337%0.37CS..Hα-helixtrans-63.8-10.1179540000114A9 P10 Q11 L15 D16 T17A9-T13 HydrophobicContact CB-CG2 4.14Å; P10-T13 HydrophobicContact CB-CG2 4.34Å; P10-T13 HydrophobicContact CG-CG2 4.4Å; P10-T13 WeakPolarHBondContact O-CG2 3.32Å; P10-T13 PolarHBondContact O-N 2.63Å; P10-T13 PolarHBondContact O-OG1 3.01Å; Q11-T13 VanDerWaalsContact C-N 3.27Å; Q11-T13 PolarHBondContact O-N 2.94Å; T13-L15 VanDerWaalsContact C-N 3.25Å; T13-D16 PolarHBondContact O-N 3.09Å; T13-T17 WeakPolarHBondContact O-CB 3.38Å; T13-T17 PolarHBondContact O-N 3.19Å; T13-T17 PolarHBondContact O-OG1 2.95Å
14F69.3Low62.4Low82 Ų8275 Ų7536%0.3640%0.398SS..Hα-helixtrans-66.5-27.5167.476.4-99.9000112.2Q11 N12 T17 I18 L124Q11-F14 WeakPolarHBondContact O-CD1 3.34Å; N12-F14 PolarHBondContact O-N 3.26Å; F14-T17 CarbonylContact O-C 3.51Å; F14-T17 PolarHBondContact O-N 3.21Å; F14-I18 HydrophobicContact CD2-CD1 3.96Å; F14-I18 HydrophobicContact CE2-CD1 4.5Å; F14-I18 VanDerWaalsContact O-CG1 3.26Å; F14-I18 WeakPolarHBondContact O-CG1 3.29Å; F14-I18 PolarHBondContact O-N 3.18Å; F14-L124 HydrophobicContact CE2-CD1 3.65Å; F14-L124 HydrophobicContact CZ-CD1 4.12Å
15L70.9Confident62.9Low46 Ų4668.8 Ų68.824%0.24138%0.384CS..Hα-helixtrans-64.4-50.4172.5-70.9173.2000110.4N12 T13 T17 I18 A19 L31 L124N12-L15 HydrophobicContact CB-CD1 4.29Å; N12-L15 VanDerWaalsContact O-CB 3.28Å; N12-L15 WeakPolarHBondContact O-CB 3.32Å; N12-L15 PolarHBondContact O-N 2.75Å; T13-L15 VanDerWaalsContact C-N 3.25Å; L15-T17 PolarHBondContact O-N 3.06Å; L15-I18 WeakPolarHBondContact O-CA 3.24Å; L15-I18 WeakPolarHBondContact O-CB 3.27Å; L15-I18 PolarHBondContact O-N 3.39Å; L15-A19 PolarHBondContact O-N 3.24Å; L15-L31 HydrophobicContact CD2-CD1 4.06Å; L15-L124 HydrophobicContact CD2-CD1 3.55Å
16D67.6Low63.1Low98 Ų9870.9 Ų70.952%0.52440%0.396SS..Hα-helixtrans-58.5-39.3175.3-50-36.8000110.7T13 I18 T20T13-D16 PolarHBondContact O-N 3.09Å; D16-I18 VanDerWaalsContact C-N 3.3Å; D16-I18 PolarHBondContact O-N 3.17Å; D16-T20 WeakPolarHBondContact O-CB 3.37Å; D16-T20 VanDerWaalsContact O-CG2 3.31Å; D16-T20 WeakPolarHBondContact O-CG2 3.49Å; D16-T20 PolarHBondContact O-N 3.02Å; D16-T20 PolarHBondContact O-OG1 3.33Å
17T70.7Confident64.4Low60 Ų6071.6 Ų71.637%0.36840%0.399SS..Hα-helixtrans-68.9-23.6176.3-54.10000113.3T13 F14 L15 R21T13-T17 WeakPolarHBondContact O-CB 3.38Å; T13-T17 PolarHBondContact O-N 3.19Å; T13-T17 PolarHBondContact O-OG1 2.95Å; F14-T17 CarbonylContact O-C 3.51Å; F14-T17 PolarHBondContact O-N 3.21Å; L15-T17 PolarHBondContact O-N 3.06Å; T17-R21 WeakPolarHBondContact O-CB 3.35Å; T17-R21 WeakPolarHBondContact O-CD 3.4Å; T17-R21 VanDerWaalsContact O-CG 3.29Å; T17-R21 WeakPolarHBondContact O-CG 3.2Å
18I71.1Confident66Low18 Ų1866.6 Ų66.69%0.09237%0.373CS..Hα-helixtrans-79.2-56.6171.8-72.6165.1000108.6F14 L15 D16 T20 R21 F22 F29 L31 I115F14-I18 HydrophobicContact CD2-CD1 3.96Å; F14-I18 HydrophobicContact CE2-CD1 4.5Å; F14-I18 VanDerWaalsContact O-CG1 3.26Å; F14-I18 WeakPolarHBondContact O-CG1 3.29Å; F14-I18 PolarHBondContact O-N 3.18Å; L15-I18 WeakPolarHBondContact O-CA 3.24Å; L15-I18 WeakPolarHBondContact O-CB 3.27Å; L15-I18 PolarHBondContact O-N 3.39Å; D16-I18 VanDerWaalsContact C-N 3.3Å; D16-I18 PolarHBondContact O-N 3.17Å; I18-T20 PolarHBondContact O-N 2.75Å; I18-R21 PolarHBondContact O-N 3.23Å; I18-R21 VanDerWaalsContact O-N 3.11Å; I18-F22 HydrophobicContact CG2-CD2 3.83Å; I18-F22 HydrophobicContact CG2-CE2 4.17Å; I18-F22 WeakPolarHBondContact O-CD2 3.44Å; I18-F22 PolarHBondContact O-N 3.46Å; I18-F22 VanDerWaalsContact O-N 3.07Å; I18-F29 HydrophobicContact CG2-CE2 4.15Å; I18-F29 HydrophobicContact CG2-CZ 4.42Å; I18-L31 HydrophobicContact CG2-CD1 4.08Å; I18-I115 HydrophobicContact CD1-CD1 4.06Å
19A70.7Confident67.7Low13 Ų1364.7 Ų64.711%0.10736%0.363CS..Hα-helixtrans-50.4-60.2179.300000111.6L15 R21 F22 D23 Y43L15-A19 PolarHBondContact O-N 3.24Å; A19-R21 PolarHBondContact O-N 3.46Å; A19-F22 PolarHBondContact O-N 3.14Å; A19-D23 WeakPolarHBondContact O-CB 3.43Å; A19-D23 PolarHBondContact O-N 2.67Å; A19-D23 VanDerWaalsContact O-OD2 3.1Å; A19-Y43 HydrophobicContact CB-CE2 3.67Å
20T70.4Confident69.7Low107 Ų10762.7 Ų62.766%0.65635%0.346SS*.Hα-helixtrans-59-21.3-17955.30000115.2D16 I18D16-T20 WeakPolarHBondContact O-CB 3.37Å; D16-T20 VanDerWaalsContact O-CG2 3.31Å; D16-T20 WeakPolarHBondContact O-CG2 3.49Å; D16-T20 PolarHBondContact O-N 3.02Å; D16-T20 PolarHBondContact O-OG1 3.33Å; I18-T20 PolarHBondContact O-N 2.75Å
21R68.1Low71.2Confident143 Ų14359.2 Ų59.254%0.5432%0.323SS..Hα-helixtrans-87.9-30.9175.4-83.7-175.4170.4156.22.2114.2T17 I18 A19T17-R21 WeakPolarHBondContact O-CB 3.35Å; T17-R21 WeakPolarHBondContact O-CD 3.4Å; T17-R21 VanDerWaalsContact O-CG 3.29Å; T17-R21 WeakPolarHBondContact O-CG 3.2Å; I18-R21 PolarHBondContact O-N 3.23Å; I18-R21 VanDerWaalsContact O-N 3.11Å; A19-R21 PolarHBondContact O-N 3.46Å
22F67.1Low72.8Confident33 Ų3354.4 Ų54.415%0.14530%0.301CS..Hα-helixtrans-98.9-28.9-174-80.6-77.9000112.6I18 A19 G24 T25 S27 F29 V343 L347I18-F22 HydrophobicContact CG2-CD2 3.83Å; I18-F22 HydrophobicContact CG2-CE2 4.17Å; I18-F22 WeakPolarHBondContact O-CD2 3.44Å; I18-F22 PolarHBondContact O-N 3.46Å; I18-F22 VanDerWaalsContact O-N 3.07Å; A19-F22 PolarHBondContact O-N 3.14Å; F22-G24 VanDerWaalsContact C-N 3.33Å; F22-G24 PolarHBondContact O-N 2.96Å; F22-T25 PolarHBondContact O-N 2.87Å; F22-T25 VanDerWaalsContact O-N 3.08Å; F22-T25 PolarHBondContact O-OG1 3.32Å; F22-S27 WeakPolarHBondContact CB-OG 3.49Å; F22-S27 PolarHBondContact O-OG 3.48Å; F22-F29 HydrophobicContact CB-CD1 4.02Å; F22-F29 HydrophobicContact CB-CE1 3.23Å; F22-F29 HydrophobicContact CB-CZ 3.61Å; F22-F29 HydrophobicContact CG-CE1 4.05Å; F22-F29 HydrophobicContact CG-CZ 4.29Å; F22-V343 HydrophobicContact CZ-CG1 4.15Å; F22-L347 HydrophobicContact CE2-CD1 4.31Å; F22-L347 HydrophobicContact CZ-CD1 4.5Å
23D63.2Low74.1Confident64 Ų6452.9 Ų52.934%0.34229%0.293SS..G310 helixtrans-59.7-42.6175-74-37.6000111.3A19 T25 H26 Y43A19-D23 WeakPolarHBondContact O-CB 3.43Å; A19-D23 PolarHBondContact O-N 2.67Å; A19-D23 VanDerWaalsContact O-OD2 3.1Å; D23-T25 PolarHBondContact O-N 3.4Å; D23-H26 PolarHBondContact O-N 3.17Å; D23-Y43 PolarHBondContact OD1-OH 3.27Å; D23-Y43 PolarHBondContact OD2-OH 2.87Å
24G61.4Low75.1Confident73 Ų7351.1 Ų51.175%0.75328%0.282SS*.G310 helixtrans-6814.8173.300000115.9F22F22-G24 VanDerWaalsContact C-N 3.33Å; F22-G24 PolarHBondContact O-N 2.96Å
25T62.5Low75.9Confident85 Ų8551.5 Ų51.552%0.52129%0.285SS..G310 helixtrans-1306.2179.667.20000114.6F22 D23 S27F22-T25 PolarHBondContact O-N 2.87Å; F22-T25 VanDerWaalsContact O-N 3.08Å; F22-T25 PolarHBondContact O-OG1 3.32Å; D23-T25 PolarHBondContact O-N 3.4Å; T25-S27 PolarHBondContact O-N 3.21Å; T25-S27 WeakPolarHBondContact OG1-CB 3.31Å; T25-S27 PolarHBondContact OG1-OG 2.87Å
26H60.5Low76.7Confident156 Ų15652.6 Ų52.672%0.72229%0.293SS*.THydrogen-bonded Turntrans47.839.4-171.4-62.2-87.2000112.5D23 N28D23-H26 PolarHBondContact O-N 3.17Å; H26-N28 PolarHBondContact O-OD1 3.47Å
27S77.9Confident77.4Confident25 Ų2555.9 Ų55.918%0.17531%0.305CS..  trans-86.6132.3179.862.50000110.4F22 T25 F29 S45F22-S27 WeakPolarHBondContact CB-OG 3.49Å; F22-S27 PolarHBondContact O-OG 3.48Å; T25-S27 PolarHBondContact O-N 3.21Å; T25-S27 WeakPolarHBondContact OG1-CB 3.31Å; T25-S27 PolarHBondContact OG1-OG 2.87Å; S27-F29 WeakPolarHBondContact O-CD1 3.39Å; S27-F29 PolarHBondContact O-N 3.08Å; S27-F29 WeakPolarHBondContact OG-CD1 3.43Å; S27-S45 WeakPolarHBondContact O-CB 3.5Å; S27-S45 PolarHBondContact O-OG 2.86Å
28N88.1Confident78.2Confident36 Ų3659.3 Ų59.319%0.19332%0.321CS..  trans-96.296.2-173.8-51.7-17.6000107.9H26 G47 F48 L51 H129H26-N28 PolarHBondContact O-OD1 3.47Å; N28-G47 VanDerWaalsContact CG-O 3.25Å; N28-G47 WeakPolarHBondContact OD1-CA 3.42Å; N28-G47 PolarHBondContact OD1-O 3.08Å; N28-G47 VanDerWaalsContact OD1-O 3.06Å; N28-F48 HydrophobicContact CB-CB 4.34Å; N28-L51 HydrophobicContact CB-CD2 3.96Å; N28-H129 WeakPolarHBondContact CB-O 3.49Å; N28-H129 PolarHBondContact O-N 3.24Å
29F89.1Confident79.1Confident3 Ų360.9 Ų60.91%0.01333%0.326CS..EExtended strand (participates in β ladder)trans-142.6163.7-174.276.8-84000113.4I18 F22 S27 L31 Y43 C44 S45 L126 V127I18-F29 HydrophobicContact CG2-CE2 4.15Å; I18-F29 HydrophobicContact CG2-CZ 4.42Å; F22-F29 HydrophobicContact CB-CD1 4.02Å; F22-F29 HydrophobicContact CB-CE1 3.23Å; F22-F29 HydrophobicContact CB-CZ 3.61Å; F22-F29 HydrophobicContact CG-CE1 4.05Å; F22-F29 HydrophobicContact CG-CZ 4.29Å; S27-F29 WeakPolarHBondContact O-CD1 3.39Å; S27-F29 PolarHBondContact O-N 3.08Å; S27-F29 WeakPolarHBondContact OG-CD1 3.43Å; F29-L31 HydrophobicContact CD2-CG 4.4Å; F29-L31 HydrophobicContact CE2-CD1 4.28Å; F29-L31 HydrophobicContact CE2-CG 4.14Å; F29-Y43 HydrophobicContact CD2-CE1 4.46Å; F29-Y43 HydrophobicContact CE1-CE1 4.33Å; F29-Y43 AromaticContact CE2-CD1 3.96Å; F29-Y43 HydrophobicContact CE2-CD1 3.96Å; F29-Y43 AromaticContact CE2-CE1 3.52Å; F29-Y43 HydrophobicContact CE2-CE1 3.52Å; F29-Y43 HydrophobicContact CZ-CD1 4.33Å; F29-Y43 AromaticContact CZ-CE1 3.44Å; F29-Y43 HydrophobicContact CZ-CE1 3.44Å; F29-Y43 VanDerWaalsContact CZ-CE1 3.44Å; F29-C44 WeakPolarHBondContact O-CA 3.35Å; F29-S45 VanDerWaalsContact CE1-CB 3.44Å; F29-S45 PolarHBondContact N-OG 3.12Å; F29-S45 PolarHBondContact O-N 3.17Å; F29-S45 PolarHBondContact O-OG 3.27Å; F29-L126 HydrophobicContact CB-CD1 4.16Å; F29-L126 HydrophobicContact CD2-CD1 3.36Å; F29-L126 HydrophobicContact CE2-CD1 4.05Å; F29-L126 HydrophobicContact CG-CD1 4.02Å; F29-V127 CarbonylContact C-O 3.55Å; F29-V127 VanDerWaalsContact CA-O 3.3Å; F29-V127 WeakPolarHBondContact CA-O 3.35Å
30V91.1Very high80.2Confident0 Ų061.7 Ų61.70%033%0.33CS..EExtended strand (participates in β ladder)trans-135.5145.2-177.9-1720000109.4I41 C44 F48 V127V30-I41 HydrophobicContact CG1-CB 4.05Å; V30-I41 HydrophobicContact CG1-CD1 3.69Å; V30-I41 HydrophobicContact CG1-CG1 3.52Å; V30-I41 HydrophobicContact CG1-CG2 3.4Å; V30-C44 HydrophobicContact CG2-CB 4.24Å; V30-F48 HydrophobicContact CG2-CD1 3.64Å; V30-F48 HydrophobicContact CG2-CD2 3.77Å; V30-F48 HydrophobicContact CG2-CE1 3.61Å; V30-F48 HydrophobicContact CG2-CE2 3.75Å; V30-F48 HydrophobicContact CG2-CG 3.71Å; V30-F48 HydrophobicContact CG2-CZ 3.65Å; V30-V127 HydrophobicContact CB-CB 4.41Å; V30-V127 PolarHBondContact N-O 3.42Å; V30-V127 PolarHBondContact O-N 3.1Å
31L89.6Confident81.3Confident2 Ų256.8 Ų56.81%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-113118.8172.9-69.8170.1000109.8L15 I18 F29 I41 V42 Y43 I115 F125 L126L15-L31 HydrophobicContact CD2-CD1 4.06Å; I18-L31 HydrophobicContact CG2-CD1 4.08Å; F29-L31 HydrophobicContact CD2-CG 4.4Å; F29-L31 HydrophobicContact CE2-CD1 4.28Å; F29-L31 HydrophobicContact CE2-CG 4.14Å; L31-I41 WeakPolarHBondContact O-CA 3.28Å; L31-V42 HydrophobicContact CB-CG2 4.11Å; L31-V42 WeakPolarHBondContact O-CG2 3.28Å; L31-V42 PolarHBondContact O-N 3.36Å; L31-Y43 HydrophobicContact CD1-CD1 3.96Å; L31-Y43 HydrophobicContact CD1-CG 4.33Å; L31-Y43 HydrophobicContact CG-CD1 4.34Å; L31-Y43 PolarHBondContact N-O 2.87Å; L31-Y43 PolarHBondContact O-N 3.07Å; L31-I115 HydrophobicContact CD2-CD1 4.2Å; L31-F125 WeakPolarHBondContact CA-O 3.23Å; L31-L126 HydrophobicContact CD2-CB 4.24Å; L31-L126 HydrophobicContact CD2-CD1 3.67Å; L31-L126 HydrophobicContact CG-CD1 4.39Å
32G90Very high82.2Confident0 Ų052.8 Ų52.80%029%0.291CS..EExtended strand (participates in β ladder)trans-104.3145173.700000112.3P40 L124 F125G32-P40 WeakPolarHBondContact CA-O 3.31Å; G32-L124 CarbonylContact O-C 3.56Å; G32-L124 WeakPolarHBondContact O-CA 3.45Å; G32-L124 WeakPolarHBondContact O-CB 3.38Å; G32-F125 PolarHBondContact N-O 3.39Å; G32-F125 PolarHBondContact O-N 3.44Å
33N90.4Very high83.3Confident29 Ų2953 Ų5316%0.15529%0.292CS..EExtended strand (participates in β ladder)trans-82.7116.8177-172.8-18.8000111.4Q35 V36 Y39 P40 V42 L124N33-Q35 VanDerWaalsContact C-N 3.33Å; N33-Q35 PolarHBondContact O-N 3.32Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.5Å; N33-Q35 PolarHBondContact OD1-N 3.04Å; N33-V36 WeakPolarHBondContact ND2-CG2 3.47Å; N33-Y39 WeakPolarHBondContact O-CA 3.45Å; N33-P40 HydrophobicContact CB-CG 4.39Å; N33-P40 PolarHBondContact N-O 3.33Å; N33-V42 HydrophobicContact CB-CG1 3.97Å; N33-L124 HydrophobicContact CB-CD2 4.49Å
34A88.6Confident84.5Confident1 Ų150 Ų501%0.00828%0.276CS..THydrogen-bonded Turntrans-86.50.9-177.200000114.3K89 V122 V123 F125A34-K89 PolarHBondContact O-NZ 2.99Å; A34-V122 HydrophobicContact CB-CG1 3.76Å; A34-V123 WeakPolarHBondContact CB-O 3.24Å; A34-V123 PolarHBondContact N-O 3.19Å; A34-F125 HydrophobicContact CB-CD2 3.74Å; A34-F125 HydrophobicContact CB-CE2 3.51Å; A34-F125 HydrophobicContact CB-CZ 4.16Å
35Q85.8Confident85.8Confident90 Ų9046.6 Ų46.642%0.42124%0.24SC..THydrogen-bonded Turntrans-102.6-9.7179.1-54.9-170.5-43.300113.8N33 V123N33-Q35 VanDerWaalsContact C-N 3.33Å; N33-Q35 PolarHBondContact O-N 3.32Å; N33-Q35 WeakPolarHBondContact OD1-CB 3.5Å; N33-Q35 PolarHBondContact OD1-N 3.04Å; Q35-V123 HydrophobicContact CG-CG1 4.33Å
36V86.3Confident86.9Confident68 Ų6846.9 Ų46.941%0.41224%0.239SC..SBendtrans-113.2144.2-179.8-177.90000108.8N33 Y39 P40N33-V36 WeakPolarHBondContact ND2-CG2 3.47Å; V36-Y39 PolarHBondContact O-N 2.86Å; V36-P40 HydrophobicContact CB-CG 4.17Å; V36-P40 HydrophobicContact CG1-CG 4.09Å
37H84Confident88.1Confident168 Ų16839.9 Ų39.978%0.77821%0.208SC*.THydrogen-bonded Turntrans-54.3152.5172.1-6099.2000111.3Y39 P40H37-Y39 PolarHBondContact O-N 3.49Å; H37-P40 WeakPolarHBondContact O-CD 3.39Å
38D86.3Confident88.7Confident131 Ų13138.7 Ų38.770%0.70120%0.2SC*.THydrogen-bonded Turntrans607.5-173.8-51.6-29000116.1C63D38-C63 WeakPolarHBondContact O-CA 3.4Å; D38-C63 VanDerWaalsContact O-CB 3.28Å; D38-C63 WeakPolarHBondContact O-CB 3.26Å; D38-C63 PolarHBondContact O-SG 3.42Å
39Y91Very high88.8Confident51 Ų5138.6 Ų38.620%0.220%0.201CC..  trans43.957.4175.7-49.2-53.1000114.6N33 V36 H37 C64 L86 F125N33-Y39 WeakPolarHBondContact O-CA 3.45Å; V36-Y39 PolarHBondContact O-N 2.86Å; H37-Y39 PolarHBondContact O-N 3.49Å; Y39-C64 WeakPolarHBondContact CB-SG 3.28Å; Y39-C64 WeakPolarHBondContact O-CB 3.49Å; Y39-C64 PolarHBondContact O-N 2.88Å; Y39-C64 PolarHBondContact O-SG 3.12Å; Y39-L86 HydrophobicContact CD2-CB 3.79Å; Y39-L86 HydrophobicContact CD2-CD1 4.44Å; Y39-L86 HydrophobicContact CE2-CB 3.79Å; Y39-F125 HydrophobicContact CD1-CE2 4.06Å; Y39-F125 HydrophobicContact CE1-CE2 4.37Å; Y39-F125 HydrophobicContact CG-CE2 4.22Å
40P93.2Very high88.7Confident30 Ų3045.2 Ų45.220%0.19523%0.232CC..BIsolated β-bridgetrans-68.5142.9-166.627.3-36.3000112.8G32 N33 V36 H37 V42 K62G32-P40 WeakPolarHBondContact CA-O 3.31Å; N33-P40 HydrophobicContact CB-CG 4.39Å; N33-P40 PolarHBondContact N-O 3.33Å; V36-P40 HydrophobicContact CB-CG 4.17Å; V36-P40 HydrophobicContact CG1-CG 4.09Å; H37-P40 WeakPolarHBondContact O-CD 3.39Å; P40-V42 PolarHBondContact O-N 3.48Å; P40-K62 CarbonylContact C-O 3.6Å; P40-K62 WeakPolarHBondContact CA-O 3.35Å
41I92.7Very high88.6Confident4 Ų445.7 Ų45.72%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-68.9118175.8-66.2167.1000109.8V30 L31 I59 S61 K62 C64 F68V30-I41 HydrophobicContact CG1-CB 4.05Å; V30-I41 HydrophobicContact CG1-CD1 3.69Å; V30-I41 HydrophobicContact CG1-CG1 3.52Å; V30-I41 HydrophobicContact CG1-CG2 3.4Å; L31-I41 WeakPolarHBondContact O-CA 3.28Å; I41-I59 HydrophobicContact CD1-CG2 4.11Å; I41-I59 HydrophobicContact CG2-CG2 4.11Å; I41-S61 PolarHBondContact O-N 3.4Å; I41-K62 WeakPolarHBondContact CB-O 3.34Å; I41-K62 HydrophobicContact CD1-CB 4.26Å; I41-K62 VanDerWaalsContact CG1-O 3.26Å; I41-K62 WeakPolarHBondContact CG1-O 3.44Å; I41-K62 PolarHBondContact N-O 2.75Å; I41-C64 HydrophobicContact CG1-CB 4.08Å; I41-F68 HydrophobicContact CD1-CE1 4.25Å
42V88.4Confident88.6Confident59 Ų5945.6 Ų45.636%0.35823%0.234SC..EExtended strand (participates in β ladder)trans-100.8-15.8178.9-66.50000113.2L31 N33 P40 M60 L124L31-V42 HydrophobicContact CB-CG2 4.11Å; L31-V42 WeakPolarHBondContact O-CG2 3.28Å; L31-V42 PolarHBondContact O-N 3.36Å; N33-V42 HydrophobicContact CB-CG1 3.97Å; P40-V42 PolarHBondContact O-N 3.48Å; V42-M60 WeakPolarHBondContact O-CE 3.35Å; V42-L124 HydrophobicContact CG2-CD2 4.44Å
43Y88.8Confident88.6Confident39 Ų3947.3 Ų47.315%0.15325%0.251CS..EExtended strand (participates in β ladder)trans-162.1146.3175.1168.2-75.8000109.8A19 D23 F29 L31A19-Y43 HydrophobicContact CB-CE2 3.67Å; D23-Y43 PolarHBondContact OD1-OH 3.27Å; D23-Y43 PolarHBondContact OD2-OH 2.87Å; F29-Y43 HydrophobicContact CD2-CE1 4.46Å; F29-Y43 HydrophobicContact CE1-CE1 4.33Å; F29-Y43 AromaticContact CE2-CD1 3.96Å; F29-Y43 HydrophobicContact CE2-CD1 3.96Å; F29-Y43 AromaticContact CE2-CE1 3.52Å; F29-Y43 HydrophobicContact CE2-CE1 3.52Å; F29-Y43 HydrophobicContact CZ-CD1 4.33Å; F29-Y43 AromaticContact CZ-CE1 3.44Å; F29-Y43 HydrophobicContact CZ-CE1 3.44Å; F29-Y43 VanDerWaalsContact CZ-CE1 3.44Å; L31-Y43 HydrophobicContact CD1-CD1 3.96Å; L31-Y43 HydrophobicContact CD1-CG 4.33Å; L31-Y43 HydrophobicContact CG-CD1 4.34Å; L31-Y43 PolarHBondContact N-O 2.87Å; L31-Y43 PolarHBondContact O-N 3.07Å
44C88.8Confident88.7Confident0 Ų048.2 Ų48.20%025%0.253CS..EExtended strand (participates in β ladder)trans-127.5155.5162.962.50000109.8F29 V30 F48 R56 I59F29-C44 WeakPolarHBondContact O-CA 3.35Å; V30-C44 HydrophobicContact CG2-CB 4.24Å; C44-F48 HydrophobicContact CB-CD1 3.89Å; C44-R56 PolarHBondContact O-NH1 3.3Å; C44-R56 PolarHBondContact O-NH2 2.82Å; C44-I59 HydrophobicContact CB-CG2 3.98Å
45S88.1Confident88.8Confident1 Ų152.3 Ų52.31%0.00728%0.275CS..  trans-80.4160.8170.165.70000111.6S27 F29 G47 F48 V49S27-S45 WeakPolarHBondContact O-CB 3.5Å; S27-S45 PolarHBondContact O-OG 2.86Å; F29-S45 VanDerWaalsContact CE1-CB 3.44Å; F29-S45 PolarHBondContact N-OG 3.12Å; F29-S45 PolarHBondContact O-N 3.17Å; F29-S45 PolarHBondContact O-OG 3.27Å; S45-G47 VanDerWaalsContact C-N 3.32Å; S45-F48 WeakPolarHBondContact O-CB 3.5Å; S45-F48 PolarHBondContact O-N 2.99Å; S45-F48 VanDerWaalsContact O-N 3.16Å; S45-F48 PolarHBondContact OG-N 3.48Å; S45-V49 PolarHBondContact O-N 2.83Å
46D86.8Confident89.1Confident92 Ų9252.1 Ų52.149%0.49227%0.27SS..Hα-helixtrans-71.8-30179.8-62.6-27.2000111.5F48 V49 E50 R56D46-F48 PolarHBondContact O-N 2.81Å; D46-V49 CarbonylContact O-C 3.58Å; D46-V49 WeakPolarHBondContact O-CA 3.36Å; D46-V49 VanDerWaalsContact O-CB 3.32Å; D46-V49 WeakPolarHBondContact O-CB 3.42Å; D46-V49 PolarHBondContact O-N 2.9Å; D46-E50 WeakPolarHBondContact O-CG 3.44Å; D46-E50 PolarHBondContact O-N 2.54Å; D46-R56 IonicContact OD1-NH1 2.81Å; D46-R56 PolarHBondContact OD1-NH1 3.31Å; D46-R56 VanDerWaalsContact OD1-NH1 3.13Å
47G85.6Confident89.3Confident8 Ų853.9 Ų53.98%0.08229%0.285CS..Hα-helixtrans-61.8-27.8168.800000114N28 S45 L51N28-G47 VanDerWaalsContact CG-O 3.25Å; N28-G47 WeakPolarHBondContact OD1-CA 3.42Å; N28-G47 PolarHBondContact OD1-O 3.08Å; N28-G47 VanDerWaalsContact OD1-O 3.06Å; S45-G47 VanDerWaalsContact C-N 3.32Å; G47-L51 VanDerWaalsContact O-CB 3.24Å; G47-L51 WeakPolarHBondContact O-CB 3.34Å; G47-L51 PolarHBondContact O-N 2.9Å
48F89.8Confident89.6Confident0 Ų049.5 Ų49.50%027%0.265CS..Hα-helixtrans-75.2-32.5171.1179.9-96.2000112.6N28 V30 C44 S45 D46 T52 I59 F68 L69 H129N28-F48 HydrophobicContact CB-CB 4.34Å; V30-F48 HydrophobicContact CG2-CD1 3.64Å; V30-F48 HydrophobicContact CG2-CD2 3.77Å; V30-F48 HydrophobicContact CG2-CE1 3.61Å; V30-F48 HydrophobicContact CG2-CE2 3.75Å; V30-F48 HydrophobicContact CG2-CG 3.71Å; V30-F48 HydrophobicContact CG2-CZ 3.65Å; C44-F48 HydrophobicContact CB-CD1 3.89Å; S45-F48 WeakPolarHBondContact O-CB 3.5Å; S45-F48 PolarHBondContact O-N 2.99Å; S45-F48 VanDerWaalsContact O-N 3.16Å; S45-F48 PolarHBondContact OG-N 3.48Å; D46-F48 PolarHBondContact O-N 2.81Å; F48-T52 HydrophobicContact CD2-CG2 4.03Å; F48-T52 HydrophobicContact CE1-CG2 4.26Å; F48-T52 HydrophobicContact CE2-CG2 3.65Å; F48-T52 HydrophobicContact CG-CG2 4.48Å; F48-T52 HydrophobicContact CZ-CG2 3.8Å; F48-T52 WeakPolarHBondContact O-CB 3.39Å; F48-T52 WeakPolarHBondContact O-CG2 3.4Å; F48-T52 PolarHBondContact O-N 2.85Å; F48-T52 PolarHBondContact O-OG1 2.96Å; F48-I59 HydrophobicContact CD1-CD1 3.87Å; F48-I59 HydrophobicContact CD1-CG2 4.34Å; F48-I59 HydrophobicContact CE1-CD1 3.76Å; F48-I59 HydrophobicContact CE1-CG1 4.06Å; F48-I59 HydrophobicContact CE1-CG2 3.8Å; F48-F68 HydrophobicContact CE1-CZ 4.28Å; F48-F68 HydrophobicContact CZ-CE2 4.48Å; F48-F68 HydrophobicContact CZ-CZ 4.22Å; F48-L69 HydrophobicContact CE2-CD1 4.08Å; F48-L69 HydrophobicContact CZ-CD1 3.99Å; F48-H129 HydrophobicContact CD2-CB 4.28Å; F48-H129 AromaticContact CD2-CG 3.95Å; F48-H129 AromaticContact CD2-ND1 3.72Å; F48-H129 HydrophobicContact CE2-CB 4.41Å; F48-H129 AromaticContact CE2-CD2 3.75Å; F48-H129 AromaticContact CE2-CE1 3.42Å; F48-H129 VanDerWaalsContact CE2-CE1 3.42Å; F48-H129 WeakPolarHBondContact CE2-CE1 3.49Å; F48-H129 AromaticContact CE2-CG 3.67Å; F48-H129 AromaticContact CE2-ND1 3.47Å; F48-H129 WeakPolarHBondContact CE2-ND1 3.16Å; F48-H129 AromaticContact CE2-NE2 3.61Å
49V90.4Very high89.9Confident35 Ų3543.3 Ų43.321%0.21223%0.232CC..Hα-helixtrans-64.8-44.1170.5168.90000110.3S45 D46 G53 Y54 R56 I59S45-V49 PolarHBondContact O-N 2.83Å; D46-V49 CarbonylContact O-C 3.58Å; D46-V49 WeakPolarHBondContact O-CA 3.36Å; D46-V49 VanDerWaalsContact O-CB 3.32Å; D46-V49 WeakPolarHBondContact O-CB 3.42Å; D46-V49 PolarHBondContact O-N 2.9Å; V49-G53 WeakPolarHBondContact O-CA 3.31Å; V49-G53 PolarHBondContact O-N 3.48Å; V49-Y54 WeakPolarHBondContact CG1-O 3.14Å; V49-R56 HydrophobicContact CG2-CB 4.4Å; V49-I59 HydrophobicContact CG2-CD1 3.94Å
50E87.9Confident89.9Confident141 Ų14144 Ų4466%0.65924%0.238SC*.Hα-helixtrans-63.5-51.8175.8-69.9175.3167.400112.2D46 T52D46-E50 WeakPolarHBondContact O-CG 3.44Å; D46-E50 PolarHBondContact O-N 2.54Å; E50-T52 VanDerWaalsContact C-N 3.29Å; E50-T52 PolarHBondContact O-N 2.89Å
51L87.8Confident89.6Confident11 Ų1147.4 Ų47.46%0.05826%0.263CS..Hα-helixtrans-56.1-41.6-179.417364.6000112.8N28 G47 K100 F106 H129 E131N28-L51 HydrophobicContact CB-CD2 3.96Å; G47-L51 VanDerWaalsContact O-CB 3.24Å; G47-L51 WeakPolarHBondContact O-CB 3.34Å; G47-L51 PolarHBondContact O-N 2.9Å; L51-K100 VanDerWaalsContact O-CD 3.3Å; L51-K100 WeakPolarHBondContact O-CD 3.44Å; L51-K100 WeakPolarHBondContact O-CE 3.45Å; L51-K100 WeakPolarHBondContact O-CG 3.33Å; L51-F106 HydrophobicContact CD1-CD2 4.14Å; L51-F106 HydrophobicContact CD1-CE2 3.84Å; L51-F106 HydrophobicContact CD1-CZ 4.37Å; L51-F106 HydrophobicContact CD2-CE2 4Å; L51-F106 HydrophobicContact CD2-CZ 4.36Å; L51-F106 HydrophobicContact CG-CE2 4.01Å; L51-F106 HydrophobicContact CG-CZ 4.18Å; L51-H129 HydrophobicContact CD2-CB 3.91Å; L51-E131 HydrophobicContact CD1-CB 3.94Å; L51-E131 HydrophobicContact CD1-CG 4.38Å
52T90.9Very high89.6Confident0 Ų052.4 Ų52.40%028%0.284CS..Hα-helixtrans-98.7-19.2-171.166.90000113.4F48 E50 Y54 L69 K101F48-T52 HydrophobicContact CD2-CG2 4.03Å; F48-T52 HydrophobicContact CE1-CG2 4.26Å; F48-T52 HydrophobicContact CE2-CG2 3.65Å; F48-T52 HydrophobicContact CG-CG2 4.48Å; F48-T52 HydrophobicContact CZ-CG2 3.8Å; F48-T52 WeakPolarHBondContact O-CB 3.39Å; F48-T52 WeakPolarHBondContact O-CG2 3.4Å; F48-T52 PolarHBondContact O-N 2.85Å; F48-T52 PolarHBondContact O-OG1 2.96Å; E50-T52 VanDerWaalsContact C-N 3.29Å; E50-T52 PolarHBondContact O-N 2.89Å; T52-Y54 WeakPolarHBondContact O-CD2 3.47Å; T52-Y54 PolarHBondContact O-N 3.21Å; T52-Y54 PolarHBondContact OG1-N 3.05Å; T52-L69 HydrophobicContact CG2-CD1 3.92Å; T52-L69 HydrophobicContact CG2-CD2 3.75Å; T52-K101 PolarHBondContact O-N 2.82Å
53G89.3Confident89.7Confident36 Ų3651.1 Ų51.137%0.37128%0.278SS..  trans73.4-4.1-174.100000115.1V49 K101V49-G53 WeakPolarHBondContact O-CA 3.31Å; V49-G53 PolarHBondContact O-N 3.48Å; G53-K101 WeakPolarHBondContact O-CD 3.36Å; G53-K101 PolarHBondContact O-NZ 3.32Å
54Y92.4Very high89.8Confident47 Ų4749.3 Ų49.318%0.18427%0.271CS..  trans-79.4129.4178.3-71.2-92.2000110.9V49 T52 Q58 I59 F68 L69 K101V49-Y54 WeakPolarHBondContact CG1-O 3.14Å; T52-Y54 WeakPolarHBondContact O-CD2 3.47Å; T52-Y54 PolarHBondContact O-N 3.21Å; T52-Y54 PolarHBondContact OG1-N 3.05Å; Y54-Q58 HydrophobicContact CD1-CB 4.3Å; Y54-I59 WeakPolarHBondContact O-CD1 3.39Å; Y54-F68 HydrophobicContact CD1-CD2 4.4Å; Y54-F68 HydrophobicContact CD2-CD2 4.14Å; Y54-F68 HydrophobicContact CD2-CE2 4.25Å; Y54-F68 HydrophobicContact CE1-CD2 4.4Å; Y54-F68 HydrophobicContact CE2-CD2 4.15Å; Y54-F68 HydrophobicContact CG-CD2 4.27Å; Y54-F68 HydrophobicContact CG-CE2 4.36Å; Y54-F68 PolarHBondContact OH-O 3.35Å; Y54-L69 HydrophobicContact CD2-CD2 4.04Å; Y54-L69 HydrophobicContact CE2-CD2 3.84Å; Y54-K101 HydrophobicContact CD1-CB 4.44Å; Y54-K101 HydrophobicContact CD1-CD 4.31Å; Y54-K101 HydrophobicContact CD1-CG 4.4Å; Y54-K101 HydrophobicContact CD2-CB 3.92Å; Y54-K101 HydrophobicContact CE1-CB 4.27Å; Y54-K101 HydrophobicContact CE1-CG 4.22Å; Y54-K101 HydrophobicContact CE2-CB 3.72Å; Y54-K101 HydrophobicContact CG-CB 4.27Å; Y54-K101 HydrophobicContact CG-CD 4.43Å
55N91.5Very high89.8Confident87 Ų8749.6 Ų49.647%0.46527%0.272SS..  trans-64.9148.6177.3-58.736.7000109.1S57 Q58 I59 K101N55-S57 PolarHBondContact O-N 3.23Å; N55-Q58 HydrophobicContact CB-CG 4.27Å; N55-Q58 VanDerWaalsContact N-OE1 3.13Å; N55-Q58 WeakPolarHBondContact O-CA 3.41Å; N55-Q58 WeakPolarHBondContact O-CB 3.41Å; N55-Q58 PolarHBondContact O-N 3.07Å; N55-Q58 PolarHBondContact OD1-OE1 3.41Å; N55-I59 PolarHBondContact O-N 2.82Å; N55-K101 PolarHBondContact OD1-NZ 3.22Å
56R90.6Very high89.9Confident87 Ų8749.6 Ų49.633%0.32827%0.272SS..Hα-helixtrans-46.6-40.2178.8-167.6172.1-16496.514113.6C44 D46 V49 Q58 I59 M60C44-R56 PolarHBondContact O-NH1 3.3Å; C44-R56 PolarHBondContact O-NH2 2.82Å; D46-R56 IonicContact OD1-NH1 2.81Å; D46-R56 PolarHBondContact OD1-NH1 3.31Å; D46-R56 VanDerWaalsContact OD1-NH1 3.13Å; V49-R56 HydrophobicContact CG2-CB 4.4Å; R56-Q58 PolarHBondContact O-N 3.31Å; R56-I59 PolarHBondContact O-N 3.27Å; R56-M60 HydrophobicContact CG-CG 4.02Å; R56-M60 WeakPolarHBondContact O-CB 3.35Å; R56-M60 WeakPolarHBondContact O-CG 3.44Å; R56-M60 PolarHBondContact O-N 3.04Å
57S91Very high89.9Confident104 Ų10448 Ų4873%0.72727%0.268SS*.Hα-helixtrans-67.3-13.6177.352.70000115.8N55N55-S57 PolarHBondContact O-N 3.23Å
58Q91.4Very high90.2Very high77 Ų7749.5 Ų49.536%0.3627%0.273SS..Hα-helixtrans-93.6-26.2175.2-53.7-174.9-91.700112.2Y54 N55 R56 K62Y54-Q58 HydrophobicContact CD1-CB 4.3Å; N55-Q58 HydrophobicContact CB-CG 4.27Å; N55-Q58 VanDerWaalsContact N-OE1 3.13Å; N55-Q58 WeakPolarHBondContact O-CA 3.41Å; N55-Q58 WeakPolarHBondContact O-CB 3.41Å; N55-Q58 PolarHBondContact O-N 3.07Å; N55-Q58 PolarHBondContact OD1-OE1 3.41Å; R56-Q58 PolarHBondContact O-N 3.31Å; Q58-K62 WeakPolarHBondContact O-CG 3.36Å
59I92.1Very high90.3Very high0 Ų049.5 Ų49.50%027%0.273CS..Hα-helixtrans-88.6-43.6-176.7-65.5158.8000111.5I41 C44 F48 V49 Y54 N55 R56 K62 F68I41-I59 HydrophobicContact CD1-CG2 4.11Å; I41-I59 HydrophobicContact CG2-CG2 4.11Å; C44-I59 HydrophobicContact CB-CG2 3.98Å; F48-I59 HydrophobicContact CD1-CD1 3.87Å; F48-I59 HydrophobicContact CD1-CG2 4.34Å; F48-I59 HydrophobicContact CE1-CD1 3.76Å; F48-I59 HydrophobicContact CE1-CG1 4.06Å; F48-I59 HydrophobicContact CE1-CG2 3.8Å; V49-I59 HydrophobicContact CG2-CD1 3.94Å; Y54-I59 WeakPolarHBondContact O-CD1 3.39Å; N55-I59 PolarHBondContact O-N 2.82Å; R56-I59 PolarHBondContact O-N 3.27Å; I59-K62 WeakPolarHBondContact O-CB 3.43Å; I59-K62 PolarHBondContact O-N 2.8Å; I59-F68 HydrophobicContact CB-CZ 4.4Å; I59-F68 HydrophobicContact CG1-CE2 4.12Å; I59-F68 HydrophobicContact CG1-CZ 4.03Å; I59-F68 HydrophobicContact CG2-CZ 4.18Å
60M89.8Confident90.3Very high65 Ų6551.2 Ų51.232%0.3228%0.275SS..THydrogen-bonded Turntrans-56.6144.7179.6-69.2-73.9-65.800111.2V42 R56 K62V42-M60 WeakPolarHBondContact O-CE 3.35Å; R56-M60 HydrophobicContact CG-CG 4.02Å; R56-M60 WeakPolarHBondContact O-CB 3.35Å; R56-M60 WeakPolarHBondContact O-CG 3.44Å; R56-M60 PolarHBondContact O-N 3.04Å; M60-K62 PolarHBondContact O-N 2.65Å; M60-K62 VanDerWaalsContact O-N 3.08Å
61S88.4Confident90.3Very high103 Ų10345.7 Ų45.772%0.7226%0.257SS*.THydrogen-bonded Turntrans568.6-174.1750000117.7I41I41-S61 PolarHBondContact O-N 3.4Å
62K91.7Very high90.1Very high108 Ų10854.8 Ų54.847%0.4730%0.299SS..SBendtrans-77162.4162.3-59.1-60.1-175.2177.10111.1P40 I41 Q58 I59 M60 F68P40-K62 CarbonylContact C-O 3.6Å; P40-K62 WeakPolarHBondContact CA-O 3.35Å; I41-K62 WeakPolarHBondContact CB-O 3.34Å; I41-K62 HydrophobicContact CD1-CB 4.26Å; I41-K62 VanDerWaalsContact CG1-O 3.26Å; I41-K62 WeakPolarHBondContact CG1-O 3.44Å; I41-K62 PolarHBondContact N-O 2.75Å; Q58-K62 WeakPolarHBondContact O-CG 3.36Å; I59-K62 WeakPolarHBondContact O-CB 3.43Å; I59-K62 PolarHBondContact O-N 2.8Å; M60-K62 PolarHBondContact O-N 2.65Å; M60-K62 VanDerWaalsContact O-N 3.08Å; K62-F68 HydrophobicContact CB-CD1 4.01Å; K62-F68 HydrophobicContact CB-CE1 3.91Å; K62-F68 HydrophobicContact CG-CD1 4.06Å; K62-F68 HydrophobicContact CG-CE1 4.21Å
63C91.5Very high89.7Confident33 Ų3362.7 Ų62.722%0.22333%0.329CS..BIsolated β-bridgetrans-65.4140173.3179.20000111.1D38 S65 C66D38-C63 WeakPolarHBondContact O-CA 3.4Å; D38-C63 VanDerWaalsContact O-CB 3.28Å; D38-C63 WeakPolarHBondContact O-CB 3.26Å; D38-C63 PolarHBondContact O-SG 3.42Å; C63-S65 PolarHBondContact O-N 3.08Å; C63-S65 VanDerWaalsContact O-N 3.12Å; C63-S65 PolarHBondContact SG-OG 2.87Å; C63-C66 PolarHBondContact O-N 2.94Å; C63-C66 VanDerWaalsContact O-N 3.07Å
64C89.5Confident89.7Confident1 Ų161.2 Ų61.21%0.00731%0.312CS..THydrogen-bonded Turntrans-69.4-0.3178.366.10000115.3Y39 I41 C66 V127Y39-C64 WeakPolarHBondContact CB-SG 3.28Å; Y39-C64 WeakPolarHBondContact O-CB 3.49Å; Y39-C64 PolarHBondContact O-N 2.88Å; Y39-C64 PolarHBondContact O-SG 3.12Å; I41-C64 HydrophobicContact CG1-CB 4.08Å; C64-C66 PolarHBondContact O-N 2.85Å; C64-V127 HydrophobicContact CB-CG2 4.31Å
65S89.8Confident89.5Confident5 Ų562.8 Ų62.84%0.03532%0.324CS..THydrogen-bonded Turntrans-69.2-9.1163.565.60000113.5C63 S67 W70C63-S65 PolarHBondContact O-N 3.08Å; C63-S65 VanDerWaalsContact O-N 3.12Å; C63-S65 PolarHBondContact SG-OG 2.87Å; S65-S67 VanDerWaalsContact C-N 3.3Å; S65-S67 PolarHBondContact O-N 3.26Å; S65-W70 PolarHBondContact O-NE1 2.93Å
66C88.9Confident89.4Confident1 Ų163.8 Ų63.81%0.00733%0.326CS..  trans53.842.1179.3-69.30000113.4C63 C64 F68 L69C63-C66 PolarHBondContact O-N 2.94Å; C63-C66 VanDerWaalsContact O-N 3.07Å; C64-C66 PolarHBondContact O-N 2.85Å; C66-F68 HydrophobicContact CB-CE1 4.33Å; C66-F68 HydrophobicContact CB-CZ 4.42Å; C66-F68 PolarHBondContact O-N 3.44Å; C66-L69 HydrophobicContact CB-CD1 4.01Å; C66-L69 HydrophobicContact CB-CG 4.23Å; C66-L69 WeakPolarHBondContact O-CB 3.46Å; C66-L69 PolarHBondContact O-N 3.2Å
67S88.1Confident89.4Confident58 Ų5864.8 Ų64.841%0.40634%0.338SS..G310 helixtrans-58.2-17.4-178.357.70000115.6S65 L69 W70S65-S67 VanDerWaalsContact C-N 3.3Å; S65-S67 PolarHBondContact O-N 3.26Å; S67-L69 VanDerWaalsContact C-N 3.28Å; S67-L69 PolarHBondContact O-N 3.11Å; S67-W70 WeakPolarHBondContact O-CB 3.49Å; S67-W70 PolarHBondContact O-N 3.43Å
68F90.6Very high89.3Confident40 Ų4060 Ų6018%0.17531%0.305CS..G310 helixtrans-76.4-8.5172.361.7-92.2000114.4I41 F48 Y54 I59 K62 C66I41-F68 HydrophobicContact CD1-CE1 4.25Å; F48-F68 HydrophobicContact CE1-CZ 4.28Å; F48-F68 HydrophobicContact CZ-CE2 4.48Å; F48-F68 HydrophobicContact CZ-CZ 4.22Å; Y54-F68 HydrophobicContact CD1-CD2 4.4Å; Y54-F68 HydrophobicContact CD2-CD2 4.14Å; Y54-F68 HydrophobicContact CD2-CE2 4.25Å; Y54-F68 HydrophobicContact CE1-CD2 4.4Å; Y54-F68 HydrophobicContact CE2-CD2 4.15Å; Y54-F68 HydrophobicContact CG-CD2 4.27Å; Y54-F68 HydrophobicContact CG-CE2 4.36Å; Y54-F68 PolarHBondContact OH-O 3.35Å; I59-F68 HydrophobicContact CB-CZ 4.4Å; I59-F68 HydrophobicContact CG1-CE2 4.12Å; I59-F68 HydrophobicContact CG1-CZ 4.03Å; I59-F68 HydrophobicContact CG2-CZ 4.18Å; K62-F68 HydrophobicContact CB-CD1 4.01Å; K62-F68 HydrophobicContact CB-CE1 3.91Å; K62-F68 HydrophobicContact CG-CD1 4.06Å; K62-F68 HydrophobicContact CG-CE1 4.21Å; C66-F68 HydrophobicContact CB-CE1 4.33Å; C66-F68 HydrophobicContact CB-CZ 4.42Å; C66-F68 PolarHBondContact O-N 3.44Å
69L92.1Very high89.3Confident1 Ų157.3 Ų57.31%0.00529%0.292CS..G310 helixtrans-96-6171.8-59.2-175.5000112.8F48 T52 Y54 C66 S67 F98 H99F48-L69 HydrophobicContact CE2-CD1 4.08Å; F48-L69 HydrophobicContact CZ-CD1 3.99Å; T52-L69 HydrophobicContact CG2-CD1 3.92Å; T52-L69 HydrophobicContact CG2-CD2 3.75Å; Y54-L69 HydrophobicContact CD2-CD2 4.04Å; Y54-L69 HydrophobicContact CE2-CD2 3.84Å; C66-L69 HydrophobicContact CB-CD1 4.01Å; C66-L69 HydrophobicContact CB-CG 4.23Å; C66-L69 WeakPolarHBondContact O-CB 3.46Å; C66-L69 PolarHBondContact O-N 3.2Å; S67-L69 VanDerWaalsContact C-N 3.28Å; S67-L69 PolarHBondContact O-N 3.11Å; L69-F98 HydrophobicContact CB-CB 4.07Å; L69-F98 HydrophobicContact CB-CD1 3.72Å; L69-F98 HydrophobicContact CB-CE1 4.28Å; L69-F98 HydrophobicContact CB-CG 3.88Å; L69-F98 HydrophobicContact CD1-CD2 4.19Å; L69-F98 HydrophobicContact CD1-CE2 4.49Å; L69-F98 HydrophobicContact CD1-CG 4.32Å; L69-F98 WeakPolarHBondContact O-CA 3.47Å; L69-H99 PolarHBondContact O-N 3.11Å
70W91.3Very high89.2Confident70 Ų7062.7 Ų62.727%0.26532%0.317SS..  trans-76.7140.3178.1-57.3-4.5000109.7S65 S67 T74 K79 L83 F98S65-W70 PolarHBondContact O-NE1 2.93Å; S67-W70 WeakPolarHBondContact O-CB 3.49Å; S67-W70 PolarHBondContact O-N 3.43Å; W70-T74 HydrophobicContact CB-CG2 4.28Å; W70-T74 HydrophobicContact CG-CG2 4.26Å; W70-K79 HydrophobicContact CD2-CD 4.11Å; W70-K79 HydrophobicContact CD2-CG 3.82Å; W70-K79 HydrophobicContact CE3-CD 3.87Å; W70-K79 HydrophobicContact CE3-CG 3.94Å; W70-K79 HydrophobicContact CG-CG 4.36Å; W70-K79 HydrophobicContact CH2-CB 4.24Å; W70-K79 HydrophobicContact CH2-CG 4.32Å; W70-K79 HydrophobicContact CZ2-CB 4.36Å; W70-K79 HydrophobicContact CZ2-CG 4.22Å; W70-K79 HydrophobicContact CZ3-CB 4.37Å; W70-K79 HydrophobicContact CZ3-CD 4.28Å; W70-K79 HydrophobicContact CZ3-CG 4.18Å; W70-L83 HydrophobicContact CH2-CD1 4.31Å; W70-L83 HydrophobicContact CH2-CD2 4.45Å; W70-L83 HydrophobicContact CH2-CG 4.42Å; W70-F98 AromaticContact CD1-CE1 3.7Å; W70-F98 AromaticContact NE1-CE1 3.97Å
71G86.8Confident89.3Confident26 Ų2661.9 Ų61.927%0.26832%0.318SS..  trans-149-164.6174.300000111.5R73 T74 H99G71-R73 VanDerWaalsContact C-N 3.27Å; G71-R73 PolarHBondContact O-N 3.28Å; G71-T74 PolarHBondContact N-OG1 3.43Å; G71-T74 VanDerWaalsContact O-CB 3.31Å; G71-T74 WeakPolarHBondContact O-CB 3.49Å; G71-T74 PolarHBondContact O-N 2.89Å; G71-T74 PolarHBondContact O-OG1 3.16Å; G71-H99 WeakPolarHBondContact CA-ND1 3.41Å; G71-H99 PolarHBondContact N-ND1 3.23Å
72E84.1Confident89.5Confident201 Ų20157 Ų5794%0.93928%0.283SS*.THydrogen-bonded Turntrans-59.5-34.1-170.5-62.9174.5-179.800113.5
73R83.9Confident89.5Confident167 Ų16755.8 Ų55.863%0.6328%0.282SS*.THydrogen-bonded Turntrans-87.83.9178.4-57.3-173.9177.9-171.8-1.9114.8G71 Q97G71-R73 VanDerWaalsContact C-N 3.27Å; G71-R73 PolarHBondContact O-N 3.28Å; R73-Q97 HydrophobicContact CB-CG 4.22Å; R73-Q97 VanDerWaalsContact CB-OE1 3.31Å
74T87.9Confident89.5Confident4 Ų457.3 Ų57.33%0.02529%0.288CS..SBendtrans-88.4110.9-177.7-50.80000110.2W70 G71 K79 I96 Q97W70-T74 HydrophobicContact CB-CG2 4.28Å; W70-T74 HydrophobicContact CG-CG2 4.26Å; G71-T74 PolarHBondContact N-OG1 3.43Å; G71-T74 VanDerWaalsContact O-CB 3.31Å; G71-T74 WeakPolarHBondContact O-CB 3.49Å; G71-T74 PolarHBondContact O-N 2.89Å; G71-T74 PolarHBondContact O-OG1 3.16Å; T74-K79 HydrophobicContact CG2-CD 4.46Å; T74-K79 HydrophobicContact CG2-CG 4.16Å; T74-K79 VanDerWaalsContact O-CE 3.24Å; T74-K79 WeakPolarHBondContact O-CE 3.34Å; T74-K79 PolarHBondContact O-NZ 3.46Å; T74-I96 HydrophobicContact CG2-CD1 3.67Å; T74-I96 HydrophobicContact CG2-CG1 3.77Å; T74-Q97 WeakPolarHBondContact CB-O 3.38Å; T74-Q97 PolarHBondContact OG1-O 2.82Å
75D89.3Confident89.6Confident81 Ų8157.8 Ų57.843%0.43329%0.29SS..  trans-55.9138.1-179.4166.548.6000113.9N77 A78 K79D75-N77 PolarHBondContact OD1-N 2.81Å; D75-N77 VanDerWaalsContact OD1-N 3.08Å; D75-N77 PolarHBondContact OD1-ND2 3.4Å; D75-N77 WeakPolarHBondContact OD2-CB 3.42Å; D75-N77 PolarHBondContact OD2-N 2.87Å; D75-A78 HydrophobicContact CB-CB 4.21Å; D75-A78 PolarHBondContact OD2-N 2.75Å; D75-K79 WeakPolarHBondContact O-CG 3.43Å; D75-K79 PolarHBondContact O-N 3.39Å; D75-K79 VanDerWaalsContact O-N 3.14Å
76E88.7Confident89.7Confident107 Ų10757.6 Ų57.650%0.529%0.289SS..Hα-helixtrans-70-34.8178.5-68.1-57.3145.200112.9A78 K79 Q80E76-A78 VanDerWaalsContact C-N 3.3Å; E76-A78 PolarHBondContact O-N 2.64Å; E76-K79 PolarHBondContact O-N 3.05Å; E76-K79 IonicContact OE1-NZ 3.99Å; E76-K79 PolarHBondContact OE1-NZ 3.36Å; E76-K79 WeakPolarHBondContact OE2-CD 3.47Å; E76-K79 IonicContact OE2-NZ 2.68Å; E76-Q80 WeakPolarHBondContact O-CG 3.21Å; E76-Q80 PolarHBondContact O-N 3.13Å
77N89.9Confident89.8Confident109 Ų10963.9 Ų63.958%0.58332%0.318SS*.Hα-helixtrans-66.2-38177.9-52.1-83000110.4D75 S81D75-N77 PolarHBondContact OD1-N 2.81Å; D75-N77 VanDerWaalsContact OD1-N 3.08Å; D75-N77 PolarHBondContact OD1-ND2 3.4Å; D75-N77 WeakPolarHBondContact OD2-CB 3.42Å; D75-N77 PolarHBondContact OD2-N 2.87Å; N77-S81 WeakPolarHBondContact O-CB 3.24Å; N77-S81 PolarHBondContact O-N 3.46Å; N77-S81 PolarHBondContact O-OG 3.32Å
78A89.2Confident89.8Confident4 Ų468.1 Ų68.13%0.03333%0.33CS..Hα-helixtrans-63.8-45.1171.700000112.7D75 E76 Q80 S81 I82 I94 I96D75-A78 HydrophobicContact CB-CB 4.21Å; D75-A78 PolarHBondContact OD2-N 2.75Å; E76-A78 VanDerWaalsContact C-N 3.3Å; E76-A78 PolarHBondContact O-N 2.64Å; A78-Q80 PolarHBondContact O-N 2.92Å; A78-S81 PolarHBondContact O-N 3.23Å; A78-I82 WeakPolarHBondContact O-CG1 3.45Å; A78-I82 PolarHBondContact O-N 2.92Å; A78-I94 HydrophobicContact CB-CD1 3.63Å; A78-I94 HydrophobicContact CB-CG1 4.46Å; A78-I96 HydrophobicContact CB-CD1 3.79Å; A78-I96 HydrophobicContact CB-CG1 4.15Å
79K91.9Very high89.7Confident20 Ų2069.9 Ų69.99%0.08734%0.337CS..Hα-helixtrans-57.7-48.6175-69.9164.9-178.8152.30111.7W70 T74 D75 E76 S81 I82 L83W70-K79 HydrophobicContact CD2-CD 4.11Å; W70-K79 HydrophobicContact CD2-CG 3.82Å; W70-K79 HydrophobicContact CE3-CD 3.87Å; W70-K79 HydrophobicContact CE3-CG 3.94Å; W70-K79 HydrophobicContact CG-CG 4.36Å; W70-K79 HydrophobicContact CH2-CB 4.24Å; W70-K79 HydrophobicContact CH2-CG 4.32Å; W70-K79 HydrophobicContact CZ2-CB 4.36Å; W70-K79 HydrophobicContact CZ2-CG 4.22Å; W70-K79 HydrophobicContact CZ3-CB 4.37Å; W70-K79 HydrophobicContact CZ3-CD 4.28Å; W70-K79 HydrophobicContact CZ3-CG 4.18Å; T74-K79 HydrophobicContact CG2-CD 4.46Å; T74-K79 HydrophobicContact CG2-CG 4.16Å; T74-K79 VanDerWaalsContact O-CE 3.24Å; T74-K79 WeakPolarHBondContact O-CE 3.34Å; T74-K79 PolarHBondContact O-NZ 3.46Å; D75-K79 WeakPolarHBondContact O-CG 3.43Å; D75-K79 PolarHBondContact O-N 3.39Å; D75-K79 VanDerWaalsContact O-N 3.14Å; E76-K79 PolarHBondContact O-N 3.05Å; E76-K79 IonicContact OE1-NZ 3.99Å; E76-K79 PolarHBondContact OE1-NZ 3.36Å; E76-K79 WeakPolarHBondContact OE2-CD 3.47Å; E76-K79 IonicContact OE2-NZ 2.68Å; K79-S81 VanDerWaalsContact C-N 3.34Å; K79-S81 PolarHBondContact O-N 3.03Å; K79-I82 PolarHBondContact O-N 3.41Å; K79-L83 WeakPolarHBondContact O-CG 3.32Å; K79-L83 PolarHBondContact O-N 2.87Å; K79-L83 VanDerWaalsContact O-N 3.17Å
80Q91Very high89.5Confident113 Ų11372 Ų7253%0.52835%0.352SS..Hα-helixtrans-63.4-38.9176.9-68-178.424.800112E76 A78 I82 L83 N84E76-Q80 WeakPolarHBondContact O-CG 3.21Å; E76-Q80 PolarHBondContact O-N 3.13Å; A78-Q80 PolarHBondContact O-N 2.92Å; Q80-I82 VanDerWaalsContact C-N 3.34Å; Q80-I82 PolarHBondContact O-N 3.14Å; Q80-L83 PolarHBondContact O-N 2.88Å; Q80-N84 VanDerWaalsContact O-CB 3.29Å; Q80-N84 WeakPolarHBondContact O-CB 3.45Å; Q80-N84 PolarHBondContact O-N 3.48Å; Q80-N84 PolarHBondContact O-ND2 2.81Å
81S91.6Very high89.5Confident47 Ų4772.8 Ų72.833%0.32936%0.359SS..Hα-helixtrans-63-38.3177.5-630000112.7N77 A78 K79 T85N77-S81 WeakPolarHBondContact O-CB 3.24Å; N77-S81 PolarHBondContact O-N 3.46Å; N77-S81 PolarHBondContact O-OG 3.32Å; A78-S81 PolarHBondContact O-N 3.23Å; K79-S81 VanDerWaalsContact C-N 3.34Å; K79-S81 PolarHBondContact O-N 3.03Å; S81-T85 WeakPolarHBondContact O-CB 3.36Å; S81-T85 PolarHBondContact O-N 2.9Å; S81-T85 VanDerWaalsContact O-N 3.09Å; S81-T85 PolarHBondContact O-OG1 2.7Å
82I92.2Very high89.7Confident0 Ų073.1 Ų73.10%035%0.354CS..Hα-helixtrans-64.1-50.7174.9-69.8162.7000110.8A78 K79 Q80 T85 L86 L92 I94 I96 L110 I112A78-I82 WeakPolarHBondContact O-CG1 3.45Å; A78-I82 PolarHBondContact O-N 2.92Å; K79-I82 PolarHBondContact O-N 3.41Å; Q80-I82 VanDerWaalsContact C-N 3.34Å; Q80-I82 PolarHBondContact O-N 3.14Å; I82-T85 WeakPolarHBondContact O-CB 3.01Å; I82-T85 PolarHBondContact O-N 2.89Å; I82-L86 HydrophobicContact CG2-CD1 4.27Å; I82-L86 WeakPolarHBondContact O-CG 3.44Å; I82-L86 PolarHBondContact O-N 2.89Å; I82-L86 VanDerWaalsContact O-N 3.12Å; I82-L92 HydrophobicContact CG1-CD2 3.96Å; I82-I94 HydrophobicContact CG1-CG2 4.41Å; I82-I96 HydrophobicContact CD1-CD1 3.65Å; I82-L110 HydrophobicContact CD1-CD2 3.43Å; I82-L110 VanDerWaalsContact CD1-CD2 3.43Å; I82-L110 HydrophobicContact CG1-CD2 3.69Å; I82-I112 HydrophobicContact CG1-CD1 4.44Å; I82-I112 HydrophobicContact CG2-CD1 4.02Å
83L91.9Very high90Very high84 Ų8465.7 Ų65.744%0.4432%0.319SS..Hα-helixtrans-61.3-48.4-179.8-66.1173.4000111.7W70 K79 Q80 T85 L86 E87W70-L83 HydrophobicContact CH2-CD1 4.31Å; W70-L83 HydrophobicContact CH2-CD2 4.45Å; W70-L83 HydrophobicContact CH2-CG 4.42Å; K79-L83 WeakPolarHBondContact O-CG 3.32Å; K79-L83 PolarHBondContact O-N 2.87Å; K79-L83 VanDerWaalsContact O-N 3.17Å; Q80-L83 PolarHBondContact O-N 2.88Å; L83-T85 PolarHBondContact O-N 3.11Å; L83-L86 PolarHBondContact O-N 2.92Å; L83-E87 PolarHBondContact O-N 2.9Å; L83-E87 VanDerWaalsContact O-N 3.08Å
84N91.3Very high90.4Very high65 Ų6559.3 Ų59.335%0.34830%0.297SS..Hα-helixtrans-57.6-33.5175.8-80.9-55.9000113Q80 K88Q80-N84 VanDerWaalsContact O-CB 3.29Å; Q80-N84 WeakPolarHBondContact O-CB 3.45Å; Q80-N84 PolarHBondContact O-N 3.48Å; Q80-N84 PolarHBondContact O-ND2 2.81Å; N84-K88 VanDerWaalsContact O-CB 3.27Å; N84-K88 WeakPolarHBondContact O-CB 3.3Å; N84-K88 WeakPolarHBondContact O-CD 3.44Å; N84-K88 WeakPolarHBondContact O-CG 3.29Å; N84-K88 PolarHBondContact O-N 3.5Å
85T91.3Very high90.5Very high10 Ų1064.4 Ų64.46%0.06132%0.321CS..Hα-helixtrans-71.6-42.7178-65.40000111.7S81 I82 L83 E87 K88 K89 S90 L92 I112S81-T85 WeakPolarHBondContact O-CB 3.36Å; S81-T85 PolarHBondContact O-N 2.9Å; S81-T85 VanDerWaalsContact O-N 3.09Å; S81-T85 PolarHBondContact O-OG1 2.7Å; I82-T85 WeakPolarHBondContact O-CB 3.01Å; I82-T85 PolarHBondContact O-N 2.89Å; L83-T85 PolarHBondContact O-N 3.11Å; T85-E87 VanDerWaalsContact C-N 3.35Å; T85-K88 PolarHBondContact O-N 3.46Å; T85-K89 WeakPolarHBondContact O-CA 3.49Å; T85-K89 PolarHBondContact O-N 2.87Å; T85-S90 VanDerWaalsContact CG2-O 3.31Å; T85-S90 WeakPolarHBondContact CG2-O 3.49Å; T85-S90 PolarHBondContact O-N 3.44Å; T85-S90 VanDerWaalsContact O-N 3.17Å; T85-L92 HydrophobicContact CG2-CB 3.5Å; T85-L92 VanDerWaalsContact CG2-CB 3.5Å; T85-I112 HydrophobicContact CG2-CB 4.47Å; T85-I112 HydrophobicContact CG2-CG2 4.19Å
86L91.3Very high90.6Very high2 Ų260.9 Ų60.91%0.0130%0.302CS..Hα-helixtrans-66.3-38.1179-66.9172.8000111.4Y39 I82 L83 K89 I112 F125Y39-L86 HydrophobicContact CD2-CB 3.79Å; Y39-L86 HydrophobicContact CD2-CD1 4.44Å; Y39-L86 HydrophobicContact CE2-CB 3.79Å; I82-L86 HydrophobicContact CG2-CD1 4.27Å; I82-L86 WeakPolarHBondContact O-CG 3.44Å; I82-L86 PolarHBondContact O-N 2.89Å; I82-L86 VanDerWaalsContact O-N 3.12Å; L83-L86 PolarHBondContact O-N 2.92Å; L86-K89 PolarHBondContact O-N 3.34Å; L86-I112 HydrophobicContact CD2-CG2 4.04Å; L86-F125 HydrophobicContact CD2-CB 4.42Å; L86-F125 HydrophobicContact CD2-CD1 3.97Å; L86-F125 HydrophobicContact CD2-CD2 3.82Å; L86-F125 HydrophobicContact CD2-CE1 4.13Å; L86-F125 HydrophobicContact CD2-CE2 3.98Å; L86-F125 HydrophobicContact CD2-CG 3.81Å; L86-F125 HydrophobicContact CD2-CZ 4.13Å; L86-F125 VanDerWaalsContact O-CZ 3.28Å; L86-F125 WeakPolarHBondContact O-CZ 3.29Å
87E90.5Very high90.6Very high132 Ų13258.5 Ų58.562%0.61729%0.291SS*.Hα-helixtrans-66.6-49.8173.5-172.6-178.6-159.900112.1L83 T85 K89L83-E87 PolarHBondContact O-N 2.9Å; L83-E87 VanDerWaalsContact O-N 3.08Å; T85-E87 VanDerWaalsContact C-N 3.35Å; E87-K89 WeakPolarHBondContact O-CG 3.49Å; E87-K89 PolarHBondContact O-N 2.86Å
88K88.1Confident90.7Very high148 Ų14853.3 Ų53.364%0.64326%0.263SS*.Hα-helixtrans-72-7.5178.8-66.9168.6-172.2170.90113.7N84 T85 S90N84-K88 VanDerWaalsContact O-CB 3.27Å; N84-K88 WeakPolarHBondContact O-CB 3.3Å; N84-K88 WeakPolarHBondContact O-CD 3.44Å; N84-K88 WeakPolarHBondContact O-CG 3.29Å; N84-K88 PolarHBondContact O-N 3.5Å; T85-K88 PolarHBondContact O-N 3.46Å; K88-S90 VanDerWaalsContact C-N 3.27Å; K88-S90 PolarHBondContact O-N 2.9Å
89K89.1Confident90.8Very high76 Ų7654.5 Ų54.533%0.3327%0.268SS..THydrogen-bonded Turntrans5240.3-178-41.5-157.3176.5-174.20113.4A34 T85 L86 E87 P114 V122 F125A34-K89 PolarHBondContact O-NZ 2.99Å; T85-K89 WeakPolarHBondContact O-CA 3.49Å; T85-K89 PolarHBondContact O-N 2.87Å; L86-K89 PolarHBondContact O-N 3.34Å; E87-K89 WeakPolarHBondContact O-CG 3.49Å; E87-K89 PolarHBondContact O-N 2.86Å; K89-P114 WeakPolarHBondContact O-CG 3.33Å; K89-V122 HydrophobicContact CB-CB 4.39Å; K89-V122 HydrophobicContact CB-CG2 4.04Å; K89-V122 HydrophobicContact CD-CB 4.17Å; K89-F125 HydrophobicContact CB-CE1 4.23Å; K89-F125 HydrophobicContact CB-CZ 4.01Å; K89-F125 HydrophobicContact CD-CZ 4.36Å; K89-F125 HydrophobicContact CG-CZ 4Å
90S88.4Confident90.7Very high45 Ų4555.1 Ų55.132%0.31527%0.271SS..  trans-97.6174-177.9530000113.2T85 K88 P114T85-S90 VanDerWaalsContact CG2-O 3.31Å; T85-S90 WeakPolarHBondContact CG2-O 3.49Å; T85-S90 PolarHBondContact O-N 3.44Å; T85-S90 VanDerWaalsContact O-N 3.17Å; K88-S90 VanDerWaalsContact C-N 3.27Å; K88-S90 PolarHBondContact O-N 2.9Å; S90-P114 WeakPolarHBondContact O-CD 3.25Å
91E91.4Very high90.7Very high88 Ų8854 Ų5441%0.41126%0.264SS..  trans-84140.7167.2-173.2179.8167.500109.6Q93 I112 V113 R341E91-Q93 PolarHBondContact OE1-NE2 3.24Å; E91-I112 VanDerWaalsContact CA-O 3.28Å; E91-I112 WeakPolarHBondContact CA-O 3.43Å; E91-V113 HydrophobicContact CG-CG2 4.47Å; E91-R341 IonicContact OE1-CZ 2.63Å; E91-R341 IonicContact OE1-NE 3.32Å; E91-R341 IonicContact OE1-NH2 3.84Å; E91-R341 PolarHBondContact OE1-NH2 3.01Å; E91-R341 IonicContact OE2-NH2 3.66Å
92L90.5Very high90.5Very high32 Ų3257 Ų5717%0.16828%0.281CS..EExtended strand (participates in β ladder)trans-138.3135.5172.2178.272.2000109.9I82 T85 I94 I112I82-L92 HydrophobicContact CG1-CD2 3.96Å; T85-L92 HydrophobicContact CG2-CB 3.5Å; T85-L92 VanDerWaalsContact CG2-CB 3.5Å; L92-I94 HydrophobicContact CD2-CB 4.37Å; L92-I94 HydrophobicContact CD2-CG2 3.88Å; L92-I94 HydrophobicContact CG-CB 4.3Å; L92-I94 HydrophobicContact CG-CG2 4.2Å; L92-I112 HydrophobicContact CB-CB 4.39Å; L92-I112 HydrophobicContact CD2-CD1 4.29Å; L92-I112 PolarHBondContact N-O 3.39Å; L92-I112 VanDerWaalsContact N-O 3.08Å; L92-I112 PolarHBondContact O-N 3.48Å
93Q91.7Very high90Very high45 Ų4561.6 Ų61.621%0.2131%0.313CS..EExtended strand (participates in β ladder)trans-124.5118.8166.5-58.9-164.3-6.600108.3E91 L110 D111 R341E91-Q93 PolarHBondContact OE1-NE2 3.24Å; Q93-L110 WeakPolarHBondContact CA-O 3.4Å; Q93-D111 HydrophobicContact CG-CB 4.4Å; Q93-D111 WeakPolarHBondContact CG-OD1 3.41Å; Q93-D111 PolarHBondContact NE2-OD1 2.87Å; Q93-D111 PolarHBondContact NE2-OD2 3.1Å; Q93-R341 VanDerWaalsContact CD-NH1 3.29Å; Q93-R341 VanDerWaalsContact NE2-NH1 3.13Å
94I91.1Very high89.8Confident34 Ų3462.5 Ų62.517%0.17431%0.314CS..EExtended strand (participates in β ladder)trans-142.1143.6-175.2-168.9163000110.5A78 I82 L92 L110A78-I94 HydrophobicContact CB-CD1 3.63Å; A78-I94 HydrophobicContact CB-CG1 4.46Å; I82-I94 HydrophobicContact CG1-CG2 4.41Å; L92-I94 HydrophobicContact CD2-CB 4.37Å; L92-I94 HydrophobicContact CD2-CG2 3.88Å; L92-I94 HydrophobicContact CG-CB 4.3Å; L92-I94 HydrophobicContact CG-CG2 4.2Å; I94-L110 HydrophobicContact CG2-CB 4.04Å; I94-L110 HydrophobicContact CG2-CD2 4.1Å; I94-L110 PolarHBondContact N-O 3.37Å; I94-L110 PolarHBondContact O-N 3.27Å
95E90.9Very high89.6Confident111 Ų11161.5 Ų61.552%0.51931%0.312SS..EExtended strand (participates in β ladder)trans-96.8125.1173.8-67.4177.4-168.200108.4C108 L109E95-C108 WeakPolarHBondContact CA-O 3.46Å; E95-L109 HydrophobicContact CG-CB 4.33Å; E95-L109 HydrophobicContact CG-CD1 3.69Å
96I89.6Confident89.6Confident6 Ų661.4 Ų61.43%0.03131%0.31CS..EExtended strand (participates in β ladder)trans-145.3137.5-167.9-172.4169.5000110T74 A78 I82 F98 C108 L110T74-I96 HydrophobicContact CG2-CD1 3.67Å; T74-I96 HydrophobicContact CG2-CG1 3.77Å; A78-I96 HydrophobicContact CB-CD1 3.79Å; A78-I96 HydrophobicContact CB-CG1 4.15Å; I82-I96 HydrophobicContact CD1-CD1 3.65Å; I96-F98 HydrophobicContact CD1-CD1 4.46Å; I96-F98 HydrophobicContact CD1-CE1 3.75Å; I96-F98 HydrophobicContact CD1-CZ 4.15Å; I96-F98 HydrophobicContact CG1-CD1 4.43Å; I96-F98 HydrophobicContact CG1-CE1 4.13Å; I96-F98 HydrophobicContact CG2-CD1 4.41Å; I96-F98 HydrophobicContact CG2-CD2 4.09Å; I96-F98 HydrophobicContact CG2-CE1 3.95Å; I96-F98 HydrophobicContact CG2-CE2 3.59Å; I96-F98 HydrophobicContact CG2-CG 4.47Å; I96-F98 HydrophobicContact CG2-CZ 3.52Å; I96-F98 PolarHBondContact O-N 2.84Å; I96-C108 PolarHBondContact N-O 3.41Å; I96-C108 WeakPolarHBondContact O-CB 3.45Å; I96-C108 PolarHBondContact O-N 3.47Å; I96-L110 HydrophobicContact CG2-CB 4.1Å
97Q89.5Confident89.5Confident58 Ų5864.4 Ų64.427%0.27133%0.326SS..EExtended strand (participates in β ladder)trans-85.7112.8175.5-170.1156.24700109.8R73 T74 P105 F106R73-Q97 HydrophobicContact CB-CG 4.22Å; R73-Q97 VanDerWaalsContact CB-OE1 3.31Å; T74-Q97 WeakPolarHBondContact CB-O 3.38Å; T74-Q97 PolarHBondContact OG1-O 2.82Å; Q97-P105 HydrophobicContact CG-CB 4.09Å; Q97-F106 WeakPolarHBondContact CA-O 3.48Å
98F92.6Very high89.4Confident0 Ų058.1 Ų58.10%030%0.297CS..EExtended strand (participates in β ladder)trans-102.4164.8175.3-74.4-39.8000110.6L69 W70 I96 P105 F106 C108 L110 H129L69-F98 HydrophobicContact CB-CB 4.07Å; L69-F98 HydrophobicContact CB-CD1 3.72Å; L69-F98 HydrophobicContact CB-CE1 4.28Å; L69-F98 HydrophobicContact CB-CG 3.88Å; L69-F98 HydrophobicContact CD1-CD2 4.19Å; L69-F98 HydrophobicContact CD1-CE2 4.49Å; L69-F98 HydrophobicContact CD1-CG 4.32Å; L69-F98 WeakPolarHBondContact O-CA 3.47Å; W70-F98 AromaticContact CD1-CE1 3.7Å; W70-F98 AromaticContact NE1-CE1 3.97Å; I96-F98 HydrophobicContact CD1-CD1 4.46Å; I96-F98 HydrophobicContact CD1-CE1 3.75Å; I96-F98 HydrophobicContact CD1-CZ 4.15Å; I96-F98 HydrophobicContact CG1-CD1 4.43Å; I96-F98 HydrophobicContact CG1-CE1 4.13Å; I96-F98 HydrophobicContact CG2-CD1 4.41Å; I96-F98 HydrophobicContact CG2-CD2 4.09Å; I96-F98 HydrophobicContact CG2-CE1 3.95Å; I96-F98 HydrophobicContact CG2-CE2 3.59Å; I96-F98 HydrophobicContact CG2-CG 4.47Å; I96-F98 HydrophobicContact CG2-CZ 3.52Å; I96-F98 PolarHBondContact O-N 2.84Å; F98-P105 CarbonylContact O-C 3.56Å; F98-P105 WeakPolarHBondContact O-CA 3.21Å; F98-F106 HydrophobicContact CB-CD1 4.14Å; F98-F106 HydrophobicContact CB-CE1 3.53Å; F98-F106 HydrophobicContact CB-CE2 4.27Å; F98-F106 HydrophobicContact CB-CZ 3.62Å; F98-F106 HydrophobicContact CD2-CZ 4.27Å; F98-F106 HydrophobicContact CG-CZ 4.45Å; F98-F106 PolarHBondContact N-O 3.03Å; F98-F106 VanDerWaalsContact O-CD1 3.31Å; F98-F106 WeakPolarHBondContact O-CD1 3.48Å; F98-F106 PolarHBondContact O-N 3.3Å; F98-C108 HydrophobicContact CD2-CB 3.53Å; F98-C108 HydrophobicContact CE2-CB 4.07Å; F98-C108 HydrophobicContact CG-CB 4.43Å; F98-L110 HydrophobicContact CE2-CD1 4.16Å; F98-L110 HydrophobicContact CZ-CD1 4.34Å; F98-L110 HydrophobicContact CZ-CD2 4.22Å; F98-H129 AromaticContact CE2-CD2 3.61Å; F98-H129 AromaticContact CE2-NE2 3.93Å
99H90.5Very high89.6Confident29 Ų2952 Ų5213%0.13427%0.271CS..EExtended strand (participates in β ladder)trans-116.7135.8177-58.168.9000109.5L69 G71 E104L69-H99 PolarHBondContact O-N 3.11Å; G71-H99 WeakPolarHBondContact CA-ND1 3.41Å; G71-H99 PolarHBondContact N-ND1 3.23Å; H99-E104 WeakPolarHBondContact CA-O 3.36Å
100K90.6Very high89.7Confident33 Ų3348.6 Ų48.614%0.14326%0.256CS..  trans-75.3166.6171-57.7-178-169.8156.80109.4L51 T102 S103 E104 F106 E131L51-K100 VanDerWaalsContact O-CD 3.3Å; L51-K100 WeakPolarHBondContact O-CD 3.44Å; L51-K100 WeakPolarHBondContact O-CE 3.45Å; L51-K100 WeakPolarHBondContact O-CG 3.33Å; K100-T102 PolarHBondContact O-N 3.21Å; K100-S103 WeakPolarHBondContact O-CA 3.46Å; K100-S103 PolarHBondContact O-N 3.21Å; K100-E104 HydrophobicContact CB-CB 4.44Å; K100-E104 HydrophobicContact CD-CB 4.46Å; K100-E104 VanDerWaalsContact CD-OE2 3.29Å; K100-E104 WeakPolarHBondContact CD-OE2 3.11Å; K100-E104 WeakPolarHBondContact CE-OE2 3.3Å; K100-E104 PolarHBondContact N-O 2.91Å; K100-E104 IonicContact NZ-OE2 2.65Å; K100-E104 PolarHBondContact NZ-OE2 3.04Å; K100-F106 HydrophobicContact CD-CD1 4.29Å; K100-F106 HydrophobicContact CG-CD1 3.5Å; K100-F106 HydrophobicContact CG-CE1 3.66Å; K100-F106 HydrophobicContact CG-CG 4.41Å; K100-E131 VanDerWaalsContact CE-OE1 3.29Å; K100-E131 WeakPolarHBondContact CE-OE1 3.42Å; K100-E131 IonicContact NZ-OE1 3.27Å; K100-E131 PolarHBondContact NZ-OE1 3.19Å
101K89.7Confident89.8Confident89 Ų8947.1 Ų47.139%0.38725%0.245SC..THydrogen-bonded Turntrans-57.3-20.6174.6-175.3179.9174.31750114.1T52 G53 Y54 N55 S103T52-K101 PolarHBondContact O-N 2.82Å; G53-K101 WeakPolarHBondContact O-CD 3.36Å; G53-K101 PolarHBondContact O-NZ 3.32Å; Y54-K101 HydrophobicContact CD1-CB 4.44Å; Y54-K101 HydrophobicContact CD1-CD 4.31Å; Y54-K101 HydrophobicContact CD1-CG 4.4Å; Y54-K101 HydrophobicContact CD2-CB 3.92Å; Y54-K101 HydrophobicContact CE1-CB 4.27Å; Y54-K101 HydrophobicContact CE1-CG 4.22Å; Y54-K101 HydrophobicContact CE2-CB 3.72Å; Y54-K101 HydrophobicContact CG-CB 4.27Å; Y54-K101 HydrophobicContact CG-CD 4.43Å; N55-K101 PolarHBondContact OD1-NZ 3.22Å; K101-S103 PolarHBondContact O-N 3.03Å
102T87.4Confident89.9Confident111 Ų11143 Ų4368%0.68123%0.226SC*.THydrogen-bonded Turntrans-80.25171.948.80000113.8K100 E104K100-T102 PolarHBondContact O-N 3.21Å; T102-E104 PolarHBondContact O-N 3.42Å
103S82.8Confident89.9Confident96 Ų9642.6 Ų42.667%0.67123%0.225SC*.  trans61.39.6-168.3-55.90000115.2K100 K101 P105K100-S103 WeakPolarHBondContact O-CA 3.46Å; K100-S103 PolarHBondContact O-N 3.21Å; K101-S103 PolarHBondContact O-N 3.03Å; S103-P105 WeakPolarHBondContact O-CD 3.17Å
104E86.8Confident89.8Confident102 Ų10241.7 Ų41.748%0.47722%0.222SC..  trans-68.2121.9174.5-173.6-171-154.900110.6H99 K100 T102H99-E104 WeakPolarHBondContact CA-O 3.36Å; K100-E104 HydrophobicContact CB-CB 4.44Å; K100-E104 HydrophobicContact CD-CB 4.46Å; K100-E104 VanDerWaalsContact CD-OE2 3.29Å; K100-E104 WeakPolarHBondContact CD-OE2 3.11Å; K100-E104 WeakPolarHBondContact CE-OE2 3.3Å; K100-E104 PolarHBondContact N-O 2.91Å; K100-E104 IonicContact NZ-OE2 2.65Å; K100-E104 PolarHBondContact NZ-OE2 3.04Å; T102-E104 PolarHBondContact O-N 3.42Å
105P88.7Confident89.5Confident45 Ų4542.3 Ų42.329%0.29223%0.226SC..EExtended strand (participates in β ladder)trans-83.3120.9178.732.1-32.6000111.6Q97 F98 S103Q97-P105 HydrophobicContact CG-CB 4.09Å; F98-P105 CarbonylContact O-C 3.56Å; F98-P105 WeakPolarHBondContact O-CA 3.21Å; S103-P105 WeakPolarHBondContact O-CD 3.17Å
106F89.4Confident89.2Confident7 Ų742.1 Ų42.13%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-118.3141.2177.571.2-76.2000111.7L51 Q97 F98 K100 C108 E131L51-F106 HydrophobicContact CD1-CD2 4.14Å; L51-F106 HydrophobicContact CD1-CE2 3.84Å; L51-F106 HydrophobicContact CD1-CZ 4.37Å; L51-F106 HydrophobicContact CD2-CE2 4Å; L51-F106 HydrophobicContact CD2-CZ 4.36Å; L51-F106 HydrophobicContact CG-CE2 4.01Å; L51-F106 HydrophobicContact CG-CZ 4.18Å; Q97-F106 WeakPolarHBondContact CA-O 3.48Å; F98-F106 HydrophobicContact CB-CD1 4.14Å; F98-F106 HydrophobicContact CB-CE1 3.53Å; F98-F106 HydrophobicContact CB-CE2 4.27Å; F98-F106 HydrophobicContact CB-CZ 3.62Å; F98-F106 HydrophobicContact CD2-CZ 4.27Å; F98-F106 HydrophobicContact CG-CZ 4.45Å; F98-F106 PolarHBondContact N-O 3.03Å; F98-F106 VanDerWaalsContact O-CD1 3.31Å; F98-F106 WeakPolarHBondContact O-CD1 3.48Å; F98-F106 PolarHBondContact O-N 3.3Å; K100-F106 HydrophobicContact CD-CD1 4.29Å; K100-F106 HydrophobicContact CG-CD1 3.5Å; K100-F106 HydrophobicContact CG-CE1 3.66Å; K100-F106 HydrophobicContact CG-CG 4.41Å; F106-C108 HydrophobicContact CD2-CB 4.1Å; F106-C108 HydrophobicContact CE2-CB 3.77Å; F106-E131 HydrophobicContact CB-CG 4.3Å; F106-E131 WeakPolarHBondContact CB-OE1 3.36Å; F106-E131 HydrophobicContact CD2-CB 4.36Å; F106-E131 HydrophobicContact CD2-CG 4.02Å
107L89.3Confident88.8Confident66 Ų6643.4 Ų43.435%0.34623%0.23SC..EExtended strand (participates in β ladder)trans-78.4127.2173.9-176.862000109.2E131 L132L107-E131 CarbonylContact O-C 3.51Å; L107-E131 WeakPolarHBondContact O-CA 3.49Å; L107-L132 HydrophobicContact CB-CB 4.25Å; L107-L132 HydrophobicContact CD2-CB 3.98Å; L107-L132 HydrophobicContact CD2-CD2 4.05Å; L107-L132 HydrophobicContact CG-CB 4.09Å; L107-L132 HydrophobicContact CG-CD2 4.5Å; L107-L132 PolarHBondContact O-N 3.42Å
108C89.7Confident88.1Confident0 Ų046.3 Ų46.30%025%0.247CC..EExtended strand (participates in β ladder)trans-126.2127.3-175.7-166.40000111.2E95 I96 F98 F106 L110 K130E95-C108 WeakPolarHBondContact CA-O 3.46Å; I96-C108 PolarHBondContact N-O 3.41Å; I96-C108 WeakPolarHBondContact O-CB 3.45Å; I96-C108 PolarHBondContact O-N 3.47Å; F98-C108 HydrophobicContact CD2-CB 3.53Å; F98-C108 HydrophobicContact CE2-CB 4.07Å; F98-C108 HydrophobicContact CG-CB 4.43Å; F106-C108 HydrophobicContact CD2-CB 4.1Å; F106-C108 HydrophobicContact CE2-CB 3.77Å; C108-L110 PolarHBondContact O-N 3.03Å; C108-K130 CarbonylContact C-O 3.3Å; C108-K130 WeakPolarHBondContact CA-O 3.47Å; C108-K130 PolarHBondContact SG-N 3.37Å; C108-K130 VanDerWaalsContact SG-N 3.43Å
109L91.3Very high87.4Confident20 Ų2053.2 Ų53.211%0.10528%0.278CS..EExtended strand (participates in β ladder)trans-81111.7160.4175.967000108E95 K130 L132E95-L109 HydrophobicContact CG-CB 4.33Å; E95-L109 HydrophobicContact CG-CD1 3.69Å; L109-K130 HydrophobicContact CB-CB 4.42Å; L109-K130 PolarHBondContact N-O 3.25Å; L109-K130 PolarHBondContact O-N 2.79Å; L109-L132 HydrophobicContact CB-CD1 3.81Å
110L92Very high86.8Confident3 Ų355.9 Ų55.92%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-93.1130.7175.7-175.172000109.5I82 Q93 I94 I96 F98 C108 I112 V127I82-L110 HydrophobicContact CD1-CD2 3.43Å; I82-L110 VanDerWaalsContact CD1-CD2 3.43Å; I82-L110 HydrophobicContact CG1-CD2 3.69Å; Q93-L110 WeakPolarHBondContact CA-O 3.4Å; I94-L110 HydrophobicContact CG2-CB 4.04Å; I94-L110 HydrophobicContact CG2-CD2 4.1Å; I94-L110 PolarHBondContact N-O 3.37Å; I94-L110 PolarHBondContact O-N 3.27Å; I96-L110 HydrophobicContact CG2-CB 4.1Å; F98-L110 HydrophobicContact CE2-CD1 4.16Å; F98-L110 HydrophobicContact CZ-CD1 4.34Å; F98-L110 HydrophobicContact CZ-CD2 4.22Å; C108-L110 PolarHBondContact O-N 3.03Å; L110-I112 HydrophobicContact CD2-CD1 4.13Å; L110-I112 HydrophobicContact CD2-CG1 4.33Å; L110-I112 HydrophobicContact CG-CG1 4.24Å; L110-V127 HydrophobicContact CD1-CG1 3.48Å; L110-V127 VanDerWaalsContact CD1-CG1 3.48Å; L110-V127 HydrophobicContact CG-CG1 4.42Å
111D90.8Very high86.4Confident15 Ų1559.4 Ų59.48%0.0832%0.316CS..EExtended strand (participates in β ladder)trans-128.9104.6-179.3-162.2-17.7000109.2Q93 V113 V127 S128Q93-D111 HydrophobicContact CG-CB 4.4Å; Q93-D111 WeakPolarHBondContact CG-OD1 3.41Å; Q93-D111 PolarHBondContact NE2-OD1 2.87Å; Q93-D111 PolarHBondContact NE2-OD2 3.1Å; D111-V113 WeakPolarHBondContact OD1-CG2 3.47Å; D111-V127 WeakPolarHBondContact O-CA 3.21Å; D111-S128 PolarHBondContact N-O 3.03Å; D111-S128 PolarHBondContact O-N 3.13Å
112I92.3Very high86.2Confident1 Ų156.2 Ų56.21%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-99.7119.5-179.3-59.2176.2000108.6I82 T85 L86 E91 L92 L110 F125 L126 V127I82-I112 HydrophobicContact CG1-CD1 4.44Å; I82-I112 HydrophobicContact CG2-CD1 4.02Å; T85-I112 HydrophobicContact CG2-CB 4.47Å; T85-I112 HydrophobicContact CG2-CG2 4.19Å; L86-I112 HydrophobicContact CD2-CG2 4.04Å; E91-I112 VanDerWaalsContact CA-O 3.28Å; E91-I112 WeakPolarHBondContact CA-O 3.43Å; L92-I112 HydrophobicContact CB-CB 4.39Å; L92-I112 HydrophobicContact CD2-CD1 4.29Å; L92-I112 PolarHBondContact N-O 3.39Å; L92-I112 VanDerWaalsContact N-O 3.08Å; L92-I112 PolarHBondContact O-N 3.48Å; L110-I112 HydrophobicContact CD2-CD1 4.13Å; L110-I112 HydrophobicContact CD2-CG1 4.33Å; L110-I112 HydrophobicContact CG-CG1 4.24Å; I112-F125 HydrophobicContact CG2-CD1 4.12Å; I112-L126 WeakPolarHBondContact CA-O 3.24Å; I112-V127 HydrophobicContact CG1-CG1 4.15Å; I112-V127 HydrophobicContact CG1-CG2 4.32Å
113V90.3Very high86.1Confident24 Ų2452.3 Ų52.315%0.14528%0.28CS..EExtended strand (participates in β ladder)trans-128117.8-176.3-175.20000111.1E91 D111 L126 L344E91-V113 HydrophobicContact CG-CG2 4.47Å; D111-V113 WeakPolarHBondContact OD1-CG2 3.47Å; V113-L126 HydrophobicContact CB-CB 4.49Å; V113-L126 PolarHBondContact N-O 3.28Å; V113-L126 PolarHBondContact O-N 3.06Å; V113-L344 HydrophobicContact CG2-CD1 4.21Å
114P90.3Very high86.4Confident25 Ų2548.2 Ų48.216%0.16225%0.25CS..EExtended strand (participates in β ladder)trans-78.2122.2179.429.5-33.5000112.3K89 S90 V122 F125K89-P114 WeakPolarHBondContact O-CG 3.33Å; S90-P114 WeakPolarHBondContact O-CD 3.25Å; P114-V122 HydrophobicContact CB-CB 4.48Å; P114-V122 HydrophobicContact CB-CG1 3.63Å; P114-V122 HydrophobicContact CB-CG2 3.94Å; P114-F125 HydrophobicContact CB-CD1 4.14Å; P114-F125 HydrophobicContact CB-CE1 4.03Å
115I85.2Confident86.5Confident47 Ų4743.3 Ų43.324%0.24123%0.228CC..EExtended strand (participates in β ladder)trans-88.2121.9176.7-53.7-176.9000109.7I18 L31 V122 V123 L124 L126I18-I115 HydrophobicContact CD1-CD1 4.06Å; L31-I115 HydrophobicContact CD2-CD1 4.2Å; I115-V122 WeakPolarHBondContact O-CA 3.35Å; I115-V123 PolarHBondContact O-N 3.28Å; I115-L124 HydrophobicContact CB-CB 4.26Å; I115-L124 HydrophobicContact CD1-CB 4.35Å; I115-L124 PolarHBondContact N-O 3.21Å; I115-L124 PolarHBondContact O-N 3.29Å; I115-L126 HydrophobicContact CD1-CB 4.24Å; I115-L126 HydrophobicContact CG1-CB 4.45Å
116K83.9Confident86.6Confident108 Ų10841.7 Ų41.747%0.4722%0.217SC..EExtended strand (participates in β ladder)trans-102149.8-179.4-67.3173.8-177.5175.40112.7Q121 V122K116-Q121 CarbonylContact C-O 3.56Å; K116-Q121 VanDerWaalsContact CA-O 3.25Å; K116-Q121 WeakPolarHBondContact CA-O 3.41Å; K116-V122 HydrophobicContact CG-CG2 3.84Å
117N81.5Confident86.7Confident32 Ų3241.4 Ų41.417%0.17122%0.215CC..  trans-86.5-177.2170.867.98.4000112.8K119 S120 Q121 V123N117-K119 PolarHBondContact O-N 3.02Å; N117-K119 VanDerWaalsContact OD1-C 3.28Å; N117-K119 WeakPolarHBondContact OD1-CA 3.44Å; N117-K119 WeakPolarHBondContact OD1-CB 3.4Å; N117-K119 PolarHBondContact OD1-N 2.76Å; N117-S120 WeakPolarHBondContact O-CA 3.32Å; N117-S120 PolarHBondContact O-N 3.47Å; N117-S120 PolarHBondContact OD1-N 2.9Å; N117-S120 VanDerWaalsContact OD1-N 3.13Å; N117-Q121 PolarHBondContact N-O 3.38Å; N117-Q121 PolarHBondContact ND2-OE1 2.6Å; N117-Q121 WeakPolarHBondContact OD1-CB 3.43Å; N117-Q121 PolarHBondContact OD1-N 2.88Å; N117-Q121 PolarHBondContact OD1-O 3.48Å; N117-V123 HydrophobicContact CB-CG2 3.82Å
118D75.1Confident86.7Confident119 Ų11940.2 Ų40.264%0.63621%0.213SC*.THydrogen-bonded Turntrans-57.1-28.3174.266.3-42.4000113.8S120 F351D118-S120 VanDerWaalsContact C-N 3.28Å; D118-F351 HydrophobicContact CB-CE1 4.13Å
119K77.2Confident86.7Confident146 Ų14640.4 Ų40.464%0.63521%0.213SC*.THydrogen-bonded Turntrans-879.5174.5-57.6169.6-170.91700113.1N117 Q121N117-K119 PolarHBondContact O-N 3.02Å; N117-K119 VanDerWaalsContact OD1-C 3.28Å; N117-K119 WeakPolarHBondContact OD1-CA 3.44Å; N117-K119 WeakPolarHBondContact OD1-CB 3.4Å; N117-K119 PolarHBondContact OD1-N 2.76Å; K119-Q121 HydrophobicContact CB-CG 4.21Å; K119-Q121 PolarHBondContact O-N 2.92Å; K119-Q121 VanDerWaalsContact O-N 3.14Å
120S79Confident86.5Confident84 Ų8442.9 Ų42.959%0.58722%0.223SC*.SBendtrans60.211.9-175.7-59.20000116.2N117 D118N117-S120 WeakPolarHBondContact O-CA 3.32Å; N117-S120 PolarHBondContact O-N 3.47Å; N117-S120 PolarHBondContact OD1-N 2.9Å; N117-S120 VanDerWaalsContact OD1-N 3.13Å; D118-S120 VanDerWaalsContact C-N 3.28Å
121Q82.8Confident86.2Confident108 Ų10846 Ų4651%0.50524%0.238SC..  trans-79.1136.6174.4-57.2171.4-56.400109.6K116 N117 K119 V123K116-Q121 CarbonylContact C-O 3.56Å; K116-Q121 VanDerWaalsContact CA-O 3.25Å; K116-Q121 WeakPolarHBondContact CA-O 3.41Å; N117-Q121 PolarHBondContact N-O 3.38Å; N117-Q121 PolarHBondContact ND2-OE1 2.6Å; N117-Q121 WeakPolarHBondContact OD1-CB 3.43Å; N117-Q121 PolarHBondContact OD1-N 2.88Å; N117-Q121 PolarHBondContact OD1-O 3.48Å; K119-Q121 HydrophobicContact CB-CG 4.21Å; K119-Q121 PolarHBondContact O-N 2.92Å; K119-Q121 VanDerWaalsContact O-N 3.14Å; Q121-V123 PolarHBondContact O-N 3.47Å
122V84.6Confident85.7Confident21 Ų2147.2 Ų47.213%0.12724%0.244CC..EExtended strand (participates in β ladder)trans-72.7122.4174.6-175.40000109.1A34 K89 P114 I115 K116 L124 F125A34-V122 HydrophobicContact CB-CG1 3.76Å; K89-V122 HydrophobicContact CB-CB 4.39Å; K89-V122 HydrophobicContact CB-CG2 4.04Å; K89-V122 HydrophobicContact CD-CB 4.17Å; P114-V122 HydrophobicContact CB-CB 4.48Å; P114-V122 HydrophobicContact CB-CG1 3.63Å; P114-V122 HydrophobicContact CB-CG2 3.94Å; I115-V122 WeakPolarHBondContact O-CA 3.35Å; K116-V122 HydrophobicContact CG-CG2 3.84Å; V122-L124 WeakPolarHBondContact CG1-O 3.34Å; V122-F125 HydrophobicContact CG1-CE1 4.4Å
123V85.4Confident84.3Confident29 Ų2951.1 Ų51.118%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-104.5-35.8-179.3-177.40000111.3A34 Q35 I115 N117 Q121A34-V123 WeakPolarHBondContact CB-O 3.24Å; A34-V123 PolarHBondContact N-O 3.19Å; Q35-V123 HydrophobicContact CG-CG1 4.33Å; I115-V123 PolarHBondContact O-N 3.28Å; N117-V123 HydrophobicContact CB-CG2 3.82Å; Q121-V123 PolarHBondContact O-N 3.47Å
124L88.8Confident82.5Confident10 Ų1055.2 Ų55.25%0.05230%0.299CS..EExtended strand (participates in β ladder)trans-138.4160.4-179.8-56.5172.9000111.3F14 L15 G32 N33 V42 I115 V122F14-L124 HydrophobicContact CE2-CD1 3.65Å; F14-L124 HydrophobicContact CZ-CD1 4.12Å; L15-L124 HydrophobicContact CD2-CD1 3.55Å; G32-L124 CarbonylContact O-C 3.56Å; G32-L124 WeakPolarHBondContact O-CA 3.45Å; G32-L124 WeakPolarHBondContact O-CB 3.38Å; N33-L124 HydrophobicContact CB-CD2 4.49Å; V42-L124 HydrophobicContact CG2-CD2 4.44Å; I115-L124 HydrophobicContact CB-CB 4.26Å; I115-L124 HydrophobicContact CD1-CB 4.35Å; I115-L124 PolarHBondContact N-O 3.21Å; I115-L124 PolarHBondContact O-N 3.29Å; V122-L124 WeakPolarHBondContact CG1-O 3.34Å
125F90Very high80Confident0 Ų061.5 Ų61.50%033%0.331CS..EExtended strand (participates in β ladder)trans-106.3132160.4-66-73.8000109.6L31 G32 A34 Y39 L86 K89 I112 P114 V122 V127L31-F125 WeakPolarHBondContact CA-O 3.23Å; G32-F125 PolarHBondContact N-O 3.39Å; G32-F125 PolarHBondContact O-N 3.44Å; A34-F125 HydrophobicContact CB-CD2 3.74Å; A34-F125 HydrophobicContact CB-CE2 3.51Å; A34-F125 HydrophobicContact CB-CZ 4.16Å; Y39-F125 HydrophobicContact CD1-CE2 4.06Å; Y39-F125 HydrophobicContact CE1-CE2 4.37Å; Y39-F125 HydrophobicContact CG-CE2 4.22Å; L86-F125 HydrophobicContact CD2-CB 4.42Å; L86-F125 HydrophobicContact CD2-CD1 3.97Å; L86-F125 HydrophobicContact CD2-CD2 3.82Å; L86-F125 HydrophobicContact CD2-CE1 4.13Å; L86-F125 HydrophobicContact CD2-CE2 3.98Å; L86-F125 HydrophobicContact CD2-CG 3.81Å; L86-F125 HydrophobicContact CD2-CZ 4.13Å; L86-F125 VanDerWaalsContact O-CZ 3.28Å; L86-F125 WeakPolarHBondContact O-CZ 3.29Å; K89-F125 HydrophobicContact CB-CE1 4.23Å; K89-F125 HydrophobicContact CB-CZ 4.01Å; K89-F125 HydrophobicContact CD-CZ 4.36Å; K89-F125 HydrophobicContact CG-CZ 4Å; I112-F125 HydrophobicContact CG2-CD1 4.12Å; P114-F125 HydrophobicContact CB-CD1 4.14Å; P114-F125 HydrophobicContact CB-CE1 4.03Å; V122-F125 HydrophobicContact CG1-CE1 4.4Å; F125-V127 HydrophobicContact CB-CG2 4.32Å
126L89.9Confident77.7Confident11 Ų1170.6 Ų70.66%0.05836%0.362CS..EExtended strand (participates in β ladder)trans-94.4125.8162178.872.5000108.1F29 L31 I112 V113 I115 L344F29-L126 HydrophobicContact CB-CD1 4.16Å; F29-L126 HydrophobicContact CD2-CD1 3.36Å; F29-L126 HydrophobicContact CE2-CD1 4.05Å; F29-L126 HydrophobicContact CG-CD1 4.02Å; L31-L126 HydrophobicContact CD2-CB 4.24Å; L31-L126 HydrophobicContact CD2-CD1 3.67Å; L31-L126 HydrophobicContact CG-CD1 4.39Å; I112-L126 WeakPolarHBondContact CA-O 3.24Å; V113-L126 HydrophobicContact CB-CB 4.49Å; V113-L126 PolarHBondContact N-O 3.28Å; V113-L126 PolarHBondContact O-N 3.06Å; I115-L126 HydrophobicContact CD1-CB 4.24Å; I115-L126 HydrophobicContact CG1-CB 4.45Å; L126-L344 HydrophobicContact CD2-CD2 3.42Å; L126-L344 VanDerWaalsContact CD2-CD2 3.42Å
127V91Very high75.2Confident1 Ų173.3 Ų73.31%0.00638%0.376CS..EExtended strand (participates in β ladder)trans-122.1101.8-179.1-174.20000108.7F29 V30 C64 L110 D111 I112 F125 H129F29-V127 CarbonylContact C-O 3.55Å; F29-V127 VanDerWaalsContact CA-O 3.3Å; F29-V127 WeakPolarHBondContact CA-O 3.35Å; V30-V127 HydrophobicContact CB-CB 4.41Å; V30-V127 PolarHBondContact N-O 3.42Å; V30-V127 PolarHBondContact O-N 3.1Å; C64-V127 HydrophobicContact CB-CG2 4.31Å; L110-V127 HydrophobicContact CD1-CG1 3.48Å; L110-V127 VanDerWaalsContact CD1-CG1 3.48Å; L110-V127 HydrophobicContact CG-CG1 4.42Å; D111-V127 WeakPolarHBondContact O-CA 3.21Å; I112-V127 HydrophobicContact CG1-CG1 4.15Å; I112-V127 HydrophobicContact CG1-CG2 4.32Å; F125-V127 HydrophobicContact CB-CG2 4.32Å; V127-H129 PolarHBondContact O-ND1 3.03Å
128S89.6Confident72.7Confident41 Ų4175.6 Ų75.629%0.28741%0.408SS..EExtended strand (participates in β ladder)trans-92.7140.4178.3-166.10000110.7D111D111-S128 PolarHBondContact N-O 3.03Å; D111-S128 PolarHBondContact O-N 3.13Å
129H89.7Confident70.6Confident3 Ų382 Ų821%0.01442%0.423CS..EExtended strand (participates in β ladder)trans-121.6126.3-179-6675.2000108.6N28 F48 L51 F98 V127N28-H129 WeakPolarHBondContact CB-O 3.49Å; N28-H129 PolarHBondContact O-N 3.24Å; F48-H129 HydrophobicContact CD2-CB 4.28Å; F48-H129 AromaticContact CD2-CG 3.95Å; F48-H129 AromaticContact CD2-ND1 3.72Å; F48-H129 HydrophobicContact CE2-CB 4.41Å; F48-H129 AromaticContact CE2-CD2 3.75Å; F48-H129 AromaticContact CE2-CE1 3.42Å; F48-H129 VanDerWaalsContact CE2-CE1 3.42Å; F48-H129 WeakPolarHBondContact CE2-CE1 3.49Å; F48-H129 AromaticContact CE2-CG 3.67Å; F48-H129 AromaticContact CE2-ND1 3.47Å; F48-H129 WeakPolarHBondContact CE2-ND1 3.16Å; F48-H129 AromaticContact CE2-NE2 3.61Å; L51-H129 HydrophobicContact CD2-CB 3.91Å; F98-H129 AromaticContact CE2-CD2 3.61Å; F98-H129 AromaticContact CE2-NE2 3.93Å; V127-H129 PolarHBondContact O-ND1 3.03Å
130K87Confident68.4Low72 Ų7280.2 Ų80.231%0.31343%0.429SS..EExtended strand (participates in β ladder)trans-130.1117.5177.7-174.4-176175.5-171.30111.7C108 L109 L132C108-K130 CarbonylContact C-O 3.3Å; C108-K130 WeakPolarHBondContact CA-O 3.47Å; C108-K130 PolarHBondContact SG-N 3.37Å; C108-K130 VanDerWaalsContact SG-N 3.43Å; L109-K130 HydrophobicContact CB-CB 4.42Å; L109-K130 PolarHBondContact N-O 3.25Å; L109-K130 PolarHBondContact O-N 2.79Å; K130-L132 WeakPolarHBondContact O-CD1 3.43Å
131E84.9Confident65.9Low68 Ų6886 Ų8632%0.31844%0.443SS..EExtended strand (participates in β ladder)trans-65.9135175.6-166.2165.1-145.700111.5L51 K100 F106 L107L51-E131 HydrophobicContact CD1-CB 3.94Å; L51-E131 HydrophobicContact CD1-CG 4.38Å; K100-E131 VanDerWaalsContact CE-OE1 3.29Å; K100-E131 WeakPolarHBondContact CE-OE1 3.42Å; K100-E131 IonicContact NZ-OE1 3.27Å; K100-E131 PolarHBondContact NZ-OE1 3.19Å; F106-E131 HydrophobicContact CB-CG 4.3Å; F106-E131 WeakPolarHBondContact CB-OE1 3.36Å; F106-E131 HydrophobicContact CD2-CB 4.36Å; F106-E131 HydrophobicContact CD2-CG 4.02Å; L107-E131 CarbonylContact O-C 3.51Å; L107-E131 WeakPolarHBondContact O-CA 3.49Å
132L81.4Confident63.5Low41 Ų4184.8 Ų84.822%0.21545%0.452CS..EExtended strand (participates in β ladder)trans-109.9100.4169.6-86.968.4000107.7L107 L109 K130 P134L107-L132 HydrophobicContact CB-CB 4.25Å; L107-L132 HydrophobicContact CD2-CB 3.98Å; L107-L132 HydrophobicContact CD2-CD2 4.05Å; L107-L132 HydrophobicContact CG-CB 4.09Å; L107-L132 HydrophobicContact CG-CD2 4.5Å; L107-L132 PolarHBondContact O-N 3.42Å; L109-L132 HydrophobicContact CB-CD1 3.81Å; K130-L132 WeakPolarHBondContact O-CD1 3.43Å; L132-P134 WeakPolarHBondContact O-CD 3.41Å
133S63.1Low60.8Low83 Ų8391.9 Ų91.958%0.5849%0.489SS*.  trans-73.4126.4173.4-47.20000110.7
134P52.2Low57.9Low111 Ų11196.5 Ų96.572%0.72152%0.522SS*.  trans-67.9168.4158.531.1-33.4000110.6L132L132-P134 WeakPolarHBondContact O-CD 3.41Å
135D38.7Very low55Low157 Ų157101.5 Ų101.584%0.8456%0.557SS**  trans53.689.2173.2-65-13000118.3
136R35.4Very low52Low237 Ų237108.2 Ų108.289%0.89459%0.591SS**  trans-132.652.5152.7-77.9-163.1175.1-164.90.4112.7
137H31.7Very low49Very low165 Ų165113.3 Ų113.376%0.76463%0.625SS**SBendtrans-130117.6166.1-82.873.4000109.7
138G28.5Very low45.8Very low81 Ų81121.9 Ų121.984%0.83567%0.665SS**  trans88.559.616300000118.9
139R31.4Very low42.8Very low253 Ų253124.9 Ų124.996%0.95569%0.687SS**  trans-146.5126.2150.2-140.4167.2-173.4152.42.2115.4
140S30.6Very low39.9Very low108 Ų108130.9 Ų130.976%0.75573%0.729SS**  trans12.4133.3167.3-147.80000121.8A142S140-A142 PolarHBondContact O-N 2.78Å
141K27.1Very low37Very low205 Ų205135.7 Ų135.789%0.89176%0.757SS**  trans-56.6127.9147.6-59.3169.9-179.5174.90109.2
142A32.1Very low34.2Very low84 Ų84138.5 Ų138.569%0.69477%0.768SS**  trans-169.3116.8158.600000111.5S140S140-A142 PolarHBondContact O-N 2.78Å
143N27.5Very low31.6Very low170 Ų170141.4 Ų141.491%0.90979%0.787SS**  trans4183.2150.8-57.6-3000119.9
144C25.5Very low29.9Very low126 Ų126139.2 Ų139.285%0.85177%0.771SS**  -146.6146.6128.6-148.60000110.5
145S27.2Very low28.7Very low114 Ų114143.3 Ų143.380%0.79777%0.773SS**  trans-80.8135.5-171.2460000113.1
146I27.3Very low28.1Very low141 Ų141143 Ų14372%0.72377%0.769SS**  trans-99.1126.1-178.5-54.1169.9000109.8E148I146-E148 HydrophobicContact CG2-CG 3.8Å
147P27.1Very low27.7Very low119 Ų119138.5 Ų138.577%0.77376%0.762SS**  trans-90.1106156.25.514.2000108.9S149P147-S149 PolarHBondContact O-N 3.36Å
148E24.5Very low27.5Very low180 Ų180135.8 Ų135.884%0.84176%0.762SS**  trans-76.7102-178.2-64.7-175.2122.400111.9I146I146-E148 HydrophobicContact CG2-CG 3.8Å
149S26.1Very low27.4Very low105 Ų105135.7 Ų135.773%0.73475%0.753SS**  trans-167.4111.5159.3380000112.9P147P147-S149 PolarHBondContact O-N 3.36Å
150S28.4Very low27.3Very low129 Ų129132.2 Ų132.290%0.90275%0.747SS**SBendtrans159.829.3153.5510000115.9
151L26.1Very low27.2Very low172 Ų172134.9 Ų134.990%0.90175%0.748SS**  trans-139.196170.6-162.879.8000112.6
152K26.3Very low27.1Very low128 Ų128131 Ų13156%0.55774%0.736SS**  trans-170.2135.6174-111.7174.8174.1-1700110S287 E288 Y289K152-S287 CarbonylContact C-O 3.55Å; K152-E288 WeakPolarHBondContact CA-OE2 3.43Å; K152-E288 HydrophobicContact CB-CB 3.43Å; K152-E288 VanDerWaalsContact CB-CB 3.43Å; K152-E288 HydrophobicContact CB-CG 4.27Å; K152-E288 HydrophobicContact CD-CB 3.85Å; K152-E288 HydrophobicContact CD-CG 4.21Å; K152-E288 HydrophobicContact CG-CB 3.47Å; K152-E288 VanDerWaalsContact CG-CB 3.47Å; K152-E288 HydrophobicContact CG-CG 3.81Å; K152-E288 VanDerWaalsContact CG-OE2 3.3Å; K152-E288 WeakPolarHBondContact CG-OE2 3.38Å; K152-Y289 PolarHBondContact NZ-O 2.95Å
153V26.3Very low26.9Very low101 Ų101133.7 Ų133.761%0.61274%0.744SS**  trans-152.1111.8-169.6173.60000112.8V286 S287 E288V153-V286 HydrophobicContact CB-CG1 3.96Å; V153-V286 HydrophobicContact CG1-CG1 3.76Å; V153-V286 HydrophobicContact CG2-CG1 4.09Å; V153-S287 CarbonylContact C-O 3.57Å; V153-S287 WeakPolarHBondContact CA-O 3.45Å; V153-S287 PolarHBondContact N-O 3.1Å; V153-E288 PolarHBondContact N-OE2 2.83Å
154P28.4Very low26.9Very low37 Ų37128.9 Ų128.924%0.2474%0.735CS.*  trans-152.4-148.8133.141.9-21.7000113.3S287 E288P154-S287 VanDerWaalsContact CD-C 3.44Å; P154-S287 WeakPolarHBondContact CD-O 3.34Å; P154-S287 PolarHBondContact O-N 3.45Å; P154-E288 VanDerWaalsContact CD-CA 3.46Å; P154-E288 VanDerWaalsContact CD-CB 3.48Å; P154-E288 HydrophobicContact CG-CB 4.43Å; P154-E288 HydrophobicContact CG-CG 4.02Å
155Y27.3Very low27.3Very low197 Ų197129.3 Ų129.377%0.77373%0.734SS**  trans-104.4149.9-161.1-76.7-112.3000114.4
156M25.6Very low27.4Very low151 Ų151129 Ų12974%0.74473%0.732SS**  trans52.6145.4138.1-66.2-172.970.500123.8
157L26.7Very low27.8Very low142 Ų142127.7 Ų127.774%0.74373%0.732SS**  trans85115.8144.6-90.6164.1000121
158S26.8Very low28Very low109 Ų109126.6 Ų126.676%0.76273%0.727SS**  trans64.215614854.50000120
159A28.2Very low28.2Very low78 Ų78125.2 Ų125.265%0.64573%0.725SS**  cis-168.2139.5-31.500000110.4
160Q28.6Very low28.5Very low180 Ų180130 Ų13084%0.84173%0.733SS**  trans64.2161.7154.1-68.4176.6-25.500120.4
161H28.1Very low28.5Very low165 Ų165129.5 Ų129.576%0.76473%0.725SS**  trans65.4146.4168.3-88.5-124.4000119.5
162L25.2Very low28.8Very low123 Ų123127.3 Ų127.364%0.64472%0.72SS**  cis-168160.3-34.5-14773.1000110.1
163T27.4Very low28.8Very low140 Ų140128 Ų12886%0.85973%0.73SS**  trans62.3157.416968.30000116.2
164G28.3Very low29Very low70 Ų70128.5 Ų128.572%0.72273%0.729SS**  cis-167.2164.3-9.500000106.2
165T33.4Very low28.9Very low135 Ų135135.6 Ų135.683%0.82876%0.764SS**  cis-149.2137.624.6480000108.6
166S28.8Very low28.9Very low108 Ų108131.2 Ų131.276%0.75576%0.758SS**  54.8138.485.5-1590000114.8
167P35.4Very low29Very low112 Ų112132 Ų13273%0.72776%0.762SS**  cis-115-162.17.644.3-32000112.1
168S31.7Very low29.1Very low96 Ų96126.9 Ų126.967%0.67174%0.743SS**  cis-159.2154-011.40000112.3
169N28.6Very low29.3Very low151 Ų151129.4 Ų129.481%0.80775%0.747SS**  trans39.295.2144.9-59.4-6.4000121.7
170K33.7Very low29.4Very low207 Ų207129 Ų12990%0.974%0.744SS**  -172.8117.6114-102.1164.3-174.5176.10111.7
171T27.9Very low29.6Very low118 Ų118125.1 Ų125.172%0.72473%0.732SS**  trans-86.2155.7172.9490000111.7
172P31.8Very low29.9Very low125 Ų125122 Ų12281%0.81273%0.725SS**  trans-117.8108.3138.632.8-26.2000110.4
173N26.9Very low30.2Very low142 Ų142120.6 Ų120.676%0.75972%0.718SS**  trans-72.2123.6162-68.4-25.9000108.3
174L29.6Very low30.6Very low112 Ų112116.5 Ų116.559%0.58669%0.692SS**  trans-151.971.3163.7-154.471.1000113.7T176 M177L174-T176 PolarHBondContact O-N 2.98Å; L174-M177 HydrophobicContact CD2-CB 4.04Å; L174-M177 HydrophobicContact CD2-CG 4Å; L174-M177 HydrophobicContact CD2-SD 4.07Å
175L27.7Very low30.8Very low186 Ų186116.8 Ų116.897%0.97469%0.688SS**SBendtrans-71.643.5157.6-78.3168.4000111.1
176T27.6Very low30.8Very low106 Ų106112.7 Ų112.765%0.6567%0.667SS**  trans-153.729-160.2-14.30000116L174L174-T176 PolarHBondContact O-N 2.98Å
177M27.4Very low31.2Very low167 Ų167109.2 Ų109.282%0.82364%0.642SS**  trans-142.5110.4168-96.6-171.9-173.500115.5L174L174-M177 HydrophobicContact CD2-CB 4.04Å; L174-M177 HydrophobicContact CD2-CG 4Å; L174-M177 HydrophobicContact CD2-SD 4.07Å
178G28.8Very low31.2Very low34 Ų34107.9 Ų107.935%0.35163%0.628SS.*  86.246.1117.900000119.7A180 T181G178-A180 PolarHBondContact O-N 3.42Å; G178-T181 PolarHBondContact O-N 2.82Å; G178-T181 VanDerWaalsContact O-N 3.13Å; G178-T181 PolarHBondContact O-OG1 3.25Å
179L29.7Very low31.2Very low163 Ų163105.4 Ų105.485%0.85362%0.618SS**THydrogen-bonded Turntrans-56.4-17158.5-110.7168000112.9
180A30.4Very low31.4Very low69 Ų69102.2 Ų102.257%0.5761%0.607SS**THydrogen-bonded Turntrans-79.9-27.3175.300000115.3G178 I183 T184G178-A180 PolarHBondContact O-N 3.42Å; A180-I183 PolarHBondContact O-N 3.23Å; A180-T184 PolarHBondContact O-OG1 3.1Å
181T32.6Very low31.3Very low98 Ų9898.3 Ų98.360%0.60160%0.601SS**Hα-helixtrans-79.6-29.4-171.6480000113.4G178 I183 T184 A185G178-T181 PolarHBondContact O-N 2.82Å; G178-T181 VanDerWaalsContact O-N 3.13Å; G178-T181 PolarHBondContact O-OG1 3.25Å; T181-I183 VanDerWaalsContact C-N 3.27Å; T181-I183 PolarHBondContact O-N 3.2Å; T181-T184 PolarHBondContact O-N 2.87Å; T181-A185 PolarHBondContact O-N 3.11Å
182T34.1Very low31.3Very low100 Ų10095.3 Ų95.361%0.61359%0.593SS**Hα-helixtrans-66.5-30.6173.5-39.60000112.1A185 A186T182-A185 PolarHBondContact O-N 2.99Å; T182-A186 PolarHBondContact O-N 3.09Å
183I33.5Very low31.1Very low94 Ų9498.6 Ų98.648%0.48260%0.595SS.*Hα-helixtrans-66-44.1178.8-62.1175.2000109.8A180 T181 A185 A186 V187A180-I183 PolarHBondContact O-N 3.23Å; T181-I183 VanDerWaalsContact C-N 3.27Å; T181-I183 PolarHBondContact O-N 3.2Å; I183-A185 VanDerWaalsContact C-N 3.35Å; I183-A185 PolarHBondContact O-N 3.12Å; I183-A186 PolarHBondContact O-N 2.8Å; I183-V187 HydrophobicContact CG2-CG2 4.29Å; I183-V187 WeakPolarHBondContact O-CB 3.47Å; I183-V187 WeakPolarHBondContact O-CG2 3.37Å; I183-V187 PolarHBondContact O-N 3.46Å; I183-V187 VanDerWaalsContact O-N 3.16Å
184T34.2Very low31.2Very low54 Ų5499 Ų9933%0.33159%0.586SS.*Hα-helixtrans-60.9-42.6177.8-28.40000112A180 T181 A186 V187 L188A180-T184 PolarHBondContact O-OG1 3.1Å; T181-T184 PolarHBondContact O-N 2.87Å; T184-A186 VanDerWaalsContact C-N 3.34Å; T184-A186 PolarHBondContact O-N 3.27Å; T184-V187 PolarHBondContact O-N 2.97Å; T184-L188 HydrophobicContact CG2-CD1 3.93Å; T184-L188 HydrophobicContact CG2-CG 4.44Å; T184-L188 WeakPolarHBondContact O-CB 3.32Å; T184-L188 WeakPolarHBondContact O-CG 3.46Å; T184-L188 PolarHBondContact O-N 3.42Å
185A32.4Very low31.2Very low76 Ų7698.9 Ų98.963%0.62860%0.595SS**Hα-helixtrans-69.6-25.3-177.600000114.4T181 T182 I183T181-A185 PolarHBondContact O-N 3.11Å; T182-A185 PolarHBondContact O-N 2.99Å; I183-A185 VanDerWaalsContact C-N 3.35Å; I183-A185 PolarHBondContact O-N 3.12Å
186A34.7Very low31.3Very low48 Ų4894.9 Ų94.940%0.39757%0.574SS.*Hα-helixtrans-92.5-12.8175.700000113.8T182 I183 T184 F521T182-A186 PolarHBondContact O-N 3.09Å; I183-A186 PolarHBondContact O-N 2.8Å; T184-A186 VanDerWaalsContact C-N 3.34Å; T184-A186 PolarHBondContact O-N 3.27Å; A186-F521 HydrophobicContact CB-CD1 3.94Å; A186-F521 HydrophobicContact CB-CE1 3.56Å; A186-F521 HydrophobicContact CB-CZ 4.45Å
187V36.6Very low31.5Very low36 Ų3699.4 Ų99.422%0.21859%0.585CS.*Hα-helixtrans-98.5-33180167.70000111.7I183 T184 G189 L538 A643 N647I183-V187 HydrophobicContact CG2-CG2 4.29Å; I183-V187 WeakPolarHBondContact O-CB 3.47Å; I183-V187 WeakPolarHBondContact O-CG2 3.37Å; I183-V187 PolarHBondContact O-N 3.46Å; I183-V187 VanDerWaalsContact O-N 3.16Å; T184-V187 PolarHBondContact O-N 2.97Å; V187-G189 PolarHBondContact O-N 2.6Å; V187-L538 HydrophobicContact CG1-CD1 3.63Å; V187-A643 HydrophobicContact CG1-CB 4.08Å; V187-N647 PolarHBondContact O-ND2 3.25Å
188L34.6Very low31.6Very low83 Ų8395.9 Ų95.944%0.43557%0.569SS.*SBendtrans-71.1112.1165-70.1167.5000109.1T184 S190 A643T184-L188 HydrophobicContact CG2-CD1 3.93Å; T184-L188 HydrophobicContact CG2-CG 4.44Å; T184-L188 WeakPolarHBondContact O-CB 3.32Å; T184-L188 WeakPolarHBondContact O-CG 3.46Å; T184-L188 PolarHBondContact O-N 3.42Å; L188-S190 PolarHBondContact O-N 3.16Å; L188-A643 HydrophobicContact CD2-CB 3.65Å; L188-A643 HydrophobicContact CG-CB 4.3Å
189G32.9Very low31.8Very low44 Ų44101.8 Ų101.845%0.45459%0.591SS.*  trans-72.436.2-179.600000115V187 T191 N647V187-G189 PolarHBondContact O-N 2.6Å; G189-T191 PolarHBondContact O-N 2.78Å; G189-N647 VanDerWaalsContact CA-OD1 3.26Å; G189-N647 WeakPolarHBondContact CA-OD1 3.31Å; G189-N647 PolarHBondContact N-OD1 3.49Å
190S32.5Very low32Very low85 Ų8598.8 Ų98.859%0.59458%0.576SS**  trans-78.681.4178.2-168.90000110.8L188 G192L188-S190 PolarHBondContact O-N 3.16Å; S190-G192 PolarHBondContact O-N 3.29Å
191T31.2Very low32Very low125 Ų125103.2 Ų103.277%0.76758%0.579SS**  trans-69.976.2158.2530000108.2G189G189-T191 PolarHBondContact O-N 2.78Å
192G27.5Very low31.9Very low54 Ų54105.5 Ų105.556%0.55759%0.587SS**  trans-173.625.7-165.100000116.2S190S190-G192 PolarHBondContact O-N 3.29Å
193F27.7Very low31.8Very low195 Ų195104 Ų10486%0.85558%0.581SS**  trans-130.591.5169.7-118.4-87.6000112.3S195F193-S195 PolarHBondContact O-N 2.87Å
194R29.6Very low31.6Very low150 Ų150102.5 Ų102.557%0.56658%0.583SS**  trans-86.689.5177-174.7-173.8-172.2-162.58.4110.1N196 E1066R194-N196 PolarHBondContact NE-OD1 3.13Å; R194-E1066 VanDerWaalsContact CD-OE1 3.24Å; R194-E1066 WeakPolarHBondContact CD-OE1 3.28Å; R194-E1066 WeakPolarHBondContact CD-OE2 2.95Å; R194-E1066 IonicContact CZ-OE1 2.7Å; R194-E1066 IonicContact CZ-OE2 2.67Å; R194-E1066 IonicContact NE-OE1 2.75Å; R194-E1066 PolarHBondContact NE-OE1 3.19Å; R194-E1066 IonicContact NE-OE2 3.09Å; R194-E1066 IonicContact NH1-OE1 3.11Å; R194-E1066 PolarHBondContact NH1-OE1 3.41Å; R194-E1066 IonicContact NH1-OE2 3.85Å; R194-E1066 PolarHBondContact NH1-OE2 3.3Å; R194-E1066 IonicContact NH2-OE1 2.59Å
195S30.5Very low31.3Very low110 Ų110111.8 Ų111.877%0.76961%0.611SS**  trans-87.5112.9164.156.60000109.7F193 K197F193-S195 PolarHBondContact O-N 2.87Å; S195-K197 PolarHBondContact O-N 3.28Å; S195-K197 VanDerWaalsContact O-N 3.13Å
196N29Very low31.2Very low102 Ų102116.9 Ų116.955%0.54562%0.62SS.*  trans-73.7105.4-171.9-67.6-54000111.7R194 L198R194-N196 PolarHBondContact NE-OD1 3.13Å; N196-L198 HydrophobicContact CB-CB 4Å; N196-L198 PolarHBondContact O-N 3.39Å
197K31.4Very low30.9Very low200 Ų200122.8 Ų122.887%0.8764%0.644SS**  trans-74.972.9145.5-89.5-153.4167-154.60108.9S195S195-K197 PolarHBondContact O-N 3.28Å; S195-K197 VanDerWaalsContact O-N 3.13Å
198L29.7Very low30.5Very low93 Ų93126.8 Ų126.849%0.48767%0.669SS.*  trans-122.663.6170.1-156.8172.9000106.5N196 L202N196-L198 HydrophobicContact CB-CB 4Å; N196-L198 PolarHBondContact O-N 3.39Å; L198-L202 HydrophobicContact CD2-CB 4.23Å; L198-L202 HydrophobicContact CD2-CD1 3.69Å; L198-L202 HydrophobicContact CD2-CG 3.92Å
199L32.7Very low30.1Very low158 Ų158129.3 Ų129.383%0.82769%0.688SS**  trans-133.623.6-177.3-153.979.2000111.6
200D33.9Very low30Very low100 Ų100133.8 Ų133.854%0.53571%0.707SS.*SBendtrans-127.6-3.2-178.2-61.6-62.6000113.1
201Y31.3Very low29.9Very low162 Ų162134.7 Ų134.764%0.63571%0.711SS**SBendtrans-14819-175.1-85.6-69.4000115.5S203Y201-S203 CarbonylContact C-O 3.53Å
202L29.5Very low29.9Very low147 Ų147134.1 Ų134.177%0.7771%0.709SS**SBendtrans-131.513.6170.9-79.9-176.2000114.9L198L198-L202 HydrophobicContact CD2-CB 4.23Å; L198-L202 HydrophobicContact CD2-CD1 3.69Å; L198-L202 HydrophobicContact CD2-CG 3.92Å
203S31.7Very low30Very low69 Ų69137.6 Ų137.648%0.48372%0.722SS.*  trans-84.3165.6131.362.80000107.8Y201 D275Y201-S203 CarbonylContact C-O 3.53Å; S203-D275 VanDerWaalsContact C-OD1 3.23Å; S203-D275 WeakPolarHBondContact CB-OD1 3.46Å; S203-D275 PolarHBondContact OG-OD1 3.38Å
204A29.7Very low30.1Very low62 Ų62133.9 Ų133.951%0.51272%0.715SS.*SBendtrans81.794.8-154.500000114.7D275A204-D275 WeakPolarHBondContact CA-OD2 3.4Å; A204-D275 HydrophobicContact CB-CB 3.94Å; A204-D275 PolarHBondContact N-OD1 3.05Å; A204-D275 PolarHBondContact N-OD2 2.98Å
205R28.7Very low30Very low248 Ų248133.7 Ų133.794%0.93673%0.726SS**SBendtrans87.356.2167.3-153.8-169.2-170.7-172.44.1118.6
206K30.9Very low29.8Very low184 Ų184134.3 Ų134.380%0.873%0.725SS**  trans-166.575.1130.3-114.2-179.3-179.9-1730115.2T208K206-T208 VanDerWaalsContact C-N 3.32Å; K206-T208 PolarHBondContact O-N 3.32Å; K206-T208 VanDerWaalsContact O-N 3.09Å
207N27Very low29.7Very low171 Ų171135.5 Ų135.591%0.91474%0.736SS**  trans-77.480.6159.2-80.8-9.6000110.2
208T27.9Very low29.5Very low121 Ų121132.4 Ų132.474%0.74273%0.734SS**  trans-171.669.815838.50000112.1K206K206-T208 VanDerWaalsContact C-N 3.32Å; K206-T208 PolarHBondContact O-N 3.32Å; K206-T208 VanDerWaalsContact O-N 3.09Å
209T27.9Very low29.3Very low136 Ų136136 Ų13683%0.83475%0.753SS**  trans-143.186.8156.845.30000109.8
210T30.3Very low29.2Very low137 Ų137132.7 Ų132.784%0.8475%0.749SS**PPolyproline II helixtrans-67.8162.6161.130.90000110.4
211P30.7Very low29.2Very low104 Ų104135.2 Ų135.268%0.67576%0.761SS**PPolyproline II helixtrans-86165-146.333.6-38.2000114.8P213P211-P213 WeakPolarHBondContact O-CD 3Å
212P29.6Very low29.1Very low114 Ų114133.4 Ų133.474%0.7477%0.767SS**PPolyproline II helixtrans-71.8120.5158.430.8-31.6000110.1
213P30.6Very low29.1Very low126 Ų126133.9 Ų133.982%0.81877%0.765SS**  trans-86.5110.517332.2-29.3000110.3P211P211-P213 WeakPolarHBondContact O-CD 3Å
214T28.5Very low28.8Very low117 Ų117136.3 Ų136.372%0.71877%0.773SS**  trans-96.5129167.451.20000111.2
215N27.6Very low28.8Very low147 Ų147142.8 Ų142.879%0.78679%0.789SS**  trans96.6145.9164.3-54.8-19.6000119.2
216T26.6Very low28.6Very low122 Ų122136.5 Ų136.575%0.74877%0.774SS**  trans63.5102.6164.243.70000119.8
217T27Very low28.2Very low127 Ų127132.8 Ų132.878%0.77976%0.763SS**  trans51.8133131.158.70000120.2
218T28.4Very low27.9Very low136 Ų136133 Ų13383%0.83475%0.75SS**  cis-136.3161.624.441.50000113.9
219N25.7Very low27.7Very low167 Ų167133.3 Ų133.389%0.89375%0.748SS**  trans-84.6135.5177.6-51.1-36.3000111.8
220A30.5Very low27.5Very low90 Ų90131.6 Ų131.674%0.74474%0.738SS**  trans-170.1165.2144.300000111.7
221I32.3Very low27.2Very low152 Ų152129 Ų12978%0.77972%0.724SS**  trans55.463.9165.4-38.4-173.4000115.2H223I221-H223 PolarHBondContact O-N 3.39Å
222T30.1Very low26.9Very low125 Ų125131.3 Ų131.377%0.76773%0.73SS**  trans-62.3111.3148.646.90000110
223H30.2Very low26.7Very low156 Ų156132.2 Ų132.272%0.72273%0.727SS**  trans-103.7125.8145.3-93.9-113.2000107.4I221I221-H223 PolarHBondContact O-N 3.39Å
224N25.1Very low26.4Very low121 Ų121132.2 Ų132.265%0.64772%0.72SS**  59.768.461.5-60-38.5000112.1
225K29.9Very low26.2Very low197 Ų197136.6 Ų136.686%0.85772%0.723SS**  -175.3118.7114.8-95.3-176.9176.6-175.40108.3
226L23Very low26.1Very low116 Ų116138.3 Ų138.361%0.60772%0.724SS**  cis60.8107.829.4-135.2107.8000111.5
227D22.2Very low26.2Very low106 Ų106140.1 Ų140.157%0.56773%0.728SS**  trans76.3166131.2-84.3-153.9000120.8
228R22.7Very low26.5Very low175 Ų175139.3 Ų139.366%0.6673%0.725SS**  trans68.9131.4141.8-81.6160.7-118.6-169.5-2.3116.7
229N23Very low26.4Very low128 Ų128138.2 Ų138.268%0.68471%0.714SS**  cis-125.5136.36.6-65.5-66.7000107.9
230T23.6Very low26.4Very low101 Ų101140.3 Ų140.362%0.6271%0.709SS**  53.7154.557.773.70000113.3
231S23.5Very low26.2Very low81 Ų81140.7 Ų140.757%0.56671%0.707SS**  trans56.9105.8143.162.90000117.5
232I24.3Very low25.9Very low153 Ų153138.8 Ų138.879%0.78571%0.707SS**  113.6138.463.9-99.8162.5000109
233I25Very low25.8Very low134 Ų134138.8 Ų138.869%0.68771%0.706SS**  trans63.397.2156.6-75172.5000117.6
234N24.8Very low25.6Very low126 Ų126137.7 Ų137.767%0.67471%0.706SS**  84.4151.4115.8-79.1-24000123.5
235R24.3Very low25.6Very low208 Ų208135.8 Ų135.879%0.78570%0.702SS**  trans86110.3146.1-77.1150.4-169.1-166.64.7119.7
236K25.6Very low25.3Very low184 Ų184131.5 Ų131.580%0.869%0.689SS**  trans75.5130.6140.6-60.7-178176.9-172.90114.8
237L29.5Very low25.4Very low159 Ų159134.5 Ų134.583%0.83270%0.697SS**  60.2142.261.7-85.882.5000113.1
238P33.2Very low25.4Very low110 Ų110135.3 Ų135.371%0.71471%0.711SS**  cis-107.8-154.2-2.136.8-18.5000109.4
239D26Very low25.4Very low113 Ų113134.3 Ų134.360%0.60472%0.717SS**  cis-157.3176.46.7-146.4-15.9000111.7
240R25.5Very low25.3Very low211 Ų211132.3 Ų132.380%0.79671%0.714SS**  trans16.7139.3148.3-76.3156.9176.4177.4-6.9119.9
241S26.3Very low25.2Very low98 Ų98137.6 Ų137.669%0.68572%0.722SS**  cis-175.2161.25.143.60000111.8
242S26.3Very low25.2Very low113 Ų113143.9 Ų143.979%0.7974%0.735SS**  trans71.2139.916480.80000116.5
243V28Very low25.3Very low124 Ų124141.3 Ų141.375%0.75273%0.731SS**  cis-150.6137.7-24.4107.70000108.5
244D25.2Very low25.3Very low134 Ų134139.4 Ų139.472%0.71773%0.729SS**  trans3154.4134.1-63.8-73.5000119.1
245S24.9Very low25.4Very low80 Ų80139 Ų13956%0.55973%0.731SS**  cis179.2-166.6-7.352.60000106.9
246N23.9Very low25.5Very low108 Ų108133.1 Ų133.158%0.57872%0.722SS**  trans68.4109159.3-65.4-41.8000115.9
247K24.7Very low25.4Very low179 Ų179131 Ų13178%0.77872%0.719SS**  83.8149.575.5-80.4176.5-164.4141.10112.5
248S23.3Very low25.2Very low122 Ų122129.6 Ų129.685%0.85371%0.713SS**  trans65.2159.8-176.9790000114.3
249L21.9Very low24.8Very low154 Ų154127.8 Ų127.881%0.80670%0.703SS**  cis168117-38.917169.6000104.7
250S22.2Very low24.7Very low86 Ų86130 Ų13060%0.60171%0.713SS**  trans72.8134.4165.883.90000120.9
251R21.6Very low24.7Very low213 Ų213126.9 Ų126.980%0.80471%0.711SS**  trans63.8157148-74.6178.8-85.4-161.9-7.4119.7
252Y23.7Very low24.8Very low213 Ų213126.3 Ų126.384%0.83571%0.707SS**  trans63.7136.3-171.1-59-83.4000111.6
253S25.2Very low24.7Very low99 Ų99125.7 Ų125.769%0.69270%0.702SS**  cis65.2132.449.8102.30000111.7
254S25Very low24.6Very low93 Ų93124.9 Ų124.965%0.6570%0.698SS**  cis-158.3-166.316.951.70000110.9
255T26.8Very low24.6Very low118 Ų118124.9 Ų124.972%0.72470%0.696SS**  trans23.2126.6150.153.80000117.6
256S26.2Very low24.6Very low85 Ų85127.5 Ų127.559%0.59470%0.704SS**  cis155.7178.836.345.90000106.1
257N24.1Very low24.6Very low138 Ų138126.7 Ų126.774%0.73871%0.707SS**  trans66.7156.3167.2-52.8-18.6000113.3
258N25.2Very low24.8Very low130 Ų130123.6 Ų123.670%0.69571%0.705SS**  cis-147.3126-13.3-120.40.2000106.3
259S24Very low24.7Very low73 Ų73128.4 Ų128.451%0.5170%0.704SS.*  81.7140.389.778.60000113.9
260I23.8Very low24.9Very low158 Ų158128.2 Ų128.281%0.8170%0.699SS**  trans72.4127.7166.3-47.8153.6000110.3
261I26.5Very low25Very low146 Ų146129.7 Ų129.775%0.74970%0.7SS**  cis-133.5137.734.1-68.6171.6000111.9
262S28.5Very low25.2Very low87 Ų87125.7 Ų125.761%0.60870%0.695SS**  trans50.9141.8156.284.10000119.9
263S24.2Very low25.3Very low99 Ų99122.9 Ų122.969%0.69269%0.694SS**  cis50.1142.55068.30000113.1
264V25.1Very low25.4Very low108 Ų108124.4 Ų124.466%0.65569%0.693SS**  174.2116.993149.40000102.8
265I25.3Very low25.4Very low134 Ų134123.9 Ų123.969%0.68768%0.683SS**  59.6112.393.2-70.3157.7000109.5
266N25.4Very low25.6Very low134 Ų134121 Ų12172%0.71767%0.667SS**  cis-146.115930.4-92-46.3000110.2
267S24.4Very low25.6Very low92 Ų92123.2 Ų123.264%0.64367%0.67SS**  59.7138.359.7112.70000112.9
268P27.4Very low25.7Very low113 Ų113123.4 Ų123.473%0.73467%0.671SS**  cis-103.2177.121.416.57.8000112.3
269R22.8Very low25.8Very low223 Ų223122.4 Ų122.484%0.84267%0.67SS**  48.2135.565.8-80.1176-176.9171.70.3111.1
270Q24.7Very low25.9Very low150 Ų150128.1 Ų128.170%0.70169%0.688SS**  cis-163.7164.526.8-124160.8-42.300111.7
271N24.9Very low26.1Very low117 Ų117125 Ų12563%0.62668%0.681SS**  trans64.6112.5146-63.1-7.6000122.4
272N26.4Very low26.2Very low130 Ų130121.6 Ų121.670%0.69568%0.681SS**  79.3132.7116.4-62.1-2.5000122.7
273L25.8Very low26.1Very low154 Ų154123.3 Ų123.381%0.80669%0.69SS**  trans65.8146.8150.5-88.877.7000117.6
274L26.3Very low26.1Very low131 Ų131126.5 Ų126.569%0.68670%0.699SS**  cis-159.2137.3-15.2-177.172.5000107.1
275D26.3Very low26.1Very low82 Ų82129.1 Ų129.144%0.43971%0.708SS.*  trans-148136.6160-84.2-61.7000109.5S203 A204S203-D275 VanDerWaalsContact C-OD1 3.23Å; S203-D275 WeakPolarHBondContact CB-OD1 3.46Å; S203-D275 PolarHBondContact OG-OD1 3.38Å; A204-D275 WeakPolarHBondContact CA-OD2 3.4Å; A204-D275 HydrophobicContact CB-CB 3.94Å; A204-D275 PolarHBondContact N-OD1 3.05Å; A204-D275 PolarHBondContact N-OD2 2.98Å
276P29.7Very low26.2Very low58 Ų58127.6 Ų127.638%0.37771%0.705SS.*  trans-102150.7-159.95.517.1000113.8
277I26.8Very low26.2Very low130 Ų130124.2 Ų124.267%0.66769%0.692SS**  trans-120.585.2160.9-57179.9000106.7V279I277-V279 VanDerWaalsContact C-N 3.33Å; I277-V279 HydrophobicContact CG2-CG2 4.12Å; I277-V279 PolarHBondContact O-N 3.44Å
278D26.7Very low26.4Very low142 Ų142124.7 Ų124.776%0.75968%0.684SS**  trans-74.383-175.7-83.3-23.3000112.2E280D278-E280 PolarHBondContact O-N 2.95Å
279V27.4Very low26.3Very low110 Ų110127.8 Ų127.867%0.66768%0.682SS**  trans-77.873.2164.9-171.30000108.7I277 S281I277-V279 VanDerWaalsContact C-N 3.33Å; I277-V279 HydrophobicContact CG2-CG2 4.12Å; I277-V279 PolarHBondContact O-N 3.44Å; V279-S281 VanDerWaalsContact C-N 3.25Å; V279-S281 PolarHBondContact O-N 2.95Å; V279-S281 PolarHBondContact O-OG 2.61Å
280E25.7Very low26.5Very low192 Ų192126 Ų12690%0.89768%0.681SS**  trans-6683.7179-162.9-167.5-157.400111.4D278D278-E280 PolarHBondContact O-N 2.95Å
281S27Very low26.7Very low93 Ų93123.1 Ų123.165%0.6568%0.677SS**PPolyproline II helixtrans-80.8129.4174.4-58.40000109.4V279V279-S281 VanDerWaalsContact C-N 3.25Å; V279-S281 PolarHBondContact O-N 2.95Å; V279-S281 PolarHBondContact O-OG 2.61Å
282G28.8Very low26.8Very low74 Ų74124 Ų12476%0.76368%0.682SS**PPolyproline II helixtrans-61.1142.5-175.800000113.8
283P26.8Very low27Very low123 Ų123123.8 Ų123.880%0.79968%0.681SS**PPolyproline II helixtrans-83.2140-168.332.2-36.5000114.3
284L24.9Very low27.2Very low166 Ų166122.3 Ų122.387%0.86967%0.674SS**  trans-145.790162-80.9-177.1000112.9
285L24.8Very low27.4Very low163 Ų163122.1 Ų122.185%0.85367%0.674SS**  trans24.2123.3142.9-63.6169.5000121.6
286V27.6Very low27.5Very low102 Ų102124.2 Ų124.262%0.61869%0.685SS**  trans-150.6153141.3-1780000108.3V153V153-V286 HydrophobicContact CB-CG1 3.96Å; V153-V286 HydrophobicContact CG1-CG1 3.76Å; V153-V286 HydrophobicContact CG2-CG1 4.09Å
287S26.2Very low27.5Very low63 Ų63127.9 Ų127.944%0.44170%0.701SS.*  trans-126.5-172.4176.465.10000113K152 V153 P154K152-S287 CarbonylContact C-O 3.55Å; V153-S287 CarbonylContact C-O 3.57Å; V153-S287 WeakPolarHBondContact CA-O 3.45Å; V153-S287 PolarHBondContact N-O 3.1Å; P154-S287 VanDerWaalsContact CD-C 3.44Å; P154-S287 WeakPolarHBondContact CD-O 3.34Å; P154-S287 PolarHBondContact O-N 3.45Å
288E26.6Very low27.6Very low102 Ų102127.1 Ų127.148%0.47771%0.707SS.*  trans-166.4170.3139.3-161.1142.1-15100113.2K152 V153 P154K152-E288 WeakPolarHBondContact CA-OE2 3.43Å; K152-E288 HydrophobicContact CB-CB 3.43Å; K152-E288 VanDerWaalsContact CB-CB 3.43Å; K152-E288 HydrophobicContact CB-CG 4.27Å; K152-E288 HydrophobicContact CD-CB 3.85Å; K152-E288 HydrophobicContact CD-CG 4.21Å; K152-E288 HydrophobicContact CG-CB 3.47Å; K152-E288 VanDerWaalsContact CG-CB 3.47Å; K152-E288 HydrophobicContact CG-CG 3.81Å; K152-E288 VanDerWaalsContact CG-OE2 3.3Å; K152-E288 WeakPolarHBondContact CG-OE2 3.38Å; V153-E288 PolarHBondContact N-OE2 2.83Å; P154-E288 VanDerWaalsContact CD-CA 3.46Å; P154-E288 VanDerWaalsContact CD-CB 3.48Å; P154-E288 HydrophobicContact CG-CB 4.43Å; P154-E288 HydrophobicContact CG-CG 4.02Å
289Y25.6Very low27.7Very low178 Ų178124.7 Ų124.770%0.69870%0.702SS**  trans-86.6173.5-161.5-99.3-97.6000119.3K152K152-Y289 PolarHBondContact NZ-O 2.95Å
290K27.7Very low27.8Very low186 Ų186128.3 Ų128.381%0.80971%0.708SS**  trans92134162.3-74.1-175.5177.6-177.80116.2
291S28.2Very low27.9Very low90 Ų90125.5 Ų125.563%0.62970%0.698SS**  cis-157160.40.4-149.10000113.6
292N28.1Very low28Very low134 Ų134127.4 Ų127.472%0.71770%0.701SS**  trans70.1147.3165.4-56.112.1000115.6
293N29.4Very low27.9Very low127 Ų127129.8 Ų129.868%0.67970%0.701SS**  cis-151.8160.6-0.4-129.312.9000113.3
294N30.2Very low28.3Very low123 Ų123128.9 Ų128.966%0.65870%0.695SS**  trans70.4113.4153.8-65.45.3000122.4
295N30.2Very low28.5Very low127 Ų127126.2 Ų126.268%0.67969%0.69SS**  93.8101.8127-62.95.6000122.3
296N30.1Very low28.7Very low126 Ų126129 Ų12967%0.67469%0.689SS**  95.3104.7122.3-63.2-0.1000121.4
297N29.2Very low28.6Very low135 Ų135132.3 Ų132.372%0.72270%0.702SS**  90.5110.2128.9-61.4-8.1000121.3
298S28.6Very low28.6Very low114 Ų114136.4 Ų136.480%0.79772%0.718SS**  trans71.6145.1138.166.90000120.2
299S29.6Very low28.7Very low91 Ų91138.2 Ų138.264%0.63674%0.736SS**  cis-169.6161.3-21.461.40000111.5
300K29.1Very low28.8Very low186 Ų186137.4 Ų137.481%0.80974%0.738SS**  trans68.9148.5152.7-74.6170.1178177.10118.4
301L26.9Very low28.8Very low132 Ų132137.6 Ų137.669%0.69174%0.741SS**  cis-169.3171.8-23.1-153.365.2000109.8
302L29.9Very low29Very low134 Ų134138.2 Ų138.270%0.70275%0.746SS**  trans71.7126.3161.6-57.8162.8000116.3
303T26.5Very low28.7Very low124 Ų124140.8 Ų140.876%0.76175%0.754SS**  cis65.9165.49.592.10000115.7
304P34.3Very low28.7Very low103 Ų103140.3 Ų140.367%0.66976%0.76SS**  cis-135.4-175.3-4.839.4-21.4000114.5
305S30.7Very low28.7Very low110 Ų110140.4 Ų140.477%0.76977%0.765SS**  155.4150.7121.1-71.60000114.4
306R27.6Very low28.5Very low223 Ų223141 Ų14184%0.84277%0.769SS**  cis-176.3115.1-25.1179.2-177.3-170.7-178.13.6109
307L25.9Very low28.5Very low170 Ų170141.2 Ų141.289%0.8977%0.774SS**  trans-169.7150.1141.9-131.670.7000110.7
308I25.6Very low28.5Very low150 Ų150139.5 Ų139.577%0.76977%0.773SS**  trans-143.2137.9-167.9-62.4168.9000109.8
309V30Very low28.5Very low140 Ų140139.4 Ų139.485%0.84877%0.768SS**  trans-153.4140.2159.5-177.90000106.3
310H27.5Very low28.4Very low161 Ų161142.2 Ų142.275%0.74578%0.776SS**  cis178.5112.6-28.9-147.6-79.2000104.6
311E27.8Very low28.4Very low189 Ų189141.9 Ų141.988%0.88378%0.777SS**  trans-174.197.1169.2-110.7168.8-175.300105.1
312S31Very low28.4Very low104 Ų104141 Ų14173%0.72778%0.782SS**  79.1104.958.175.80000113.7
313E23.7Very low28.4Very low188 Ų188140.3 Ų140.388%0.87979%0.789SS**  trans-87.1-168.9179.1-61.4167.3115.900112.3
314S29.4Very low28.5Very low116 Ų116142.1 Ų142.181%0.81179%0.794SS**  trans81.3148-172.780.10000114.9
315T29.1Very low28.3Very low125 Ų125145.6 Ų145.677%0.76781%0.806SS**  cis-126.4167.47.551.90000113.6
316D26.6Very low28.3Very low141 Ų141146.8 Ų146.875%0.75481%0.808SS**  trans-62.1156.2169.8-45.5-97.5000113.7
317T30Very low28.6Very low129 Ų129141.7 Ų141.779%0.79181%0.807SS**  175.8129.210142.50000113.5
318S28.2Very low28.7Very low99 Ų99138.4 Ų138.469%0.69279%0.79SS**  trans36.7134.5143.763.20000124.6
319T28.9Very low29.1Very low113 Ų113134.8 Ų134.869%0.69378%0.776SS**  trans61.9108.8138.656.20000121.7
320D27.4Very low29.4Very low150 Ų150129.9 Ų129.980%0.80275%0.748SS**  67.1166.3126.9-55-45.6000122.5
321E29.2Very low29.9Very low178 Ų178126.5 Ų126.583%0.83274%0.739SS**  trans61.687.7172.5-55-148.4139.600120
322S26.9Very low30.6Very low115 Ų115122.1 Ų122.180%0.80473%0.725SS**  trans25.2107.213257.30000120.6
323S30.9Very low30.8Very low119 Ų119123.3 Ų123.383%0.83272%0.715SS**  trans-151.9154.6139.858.30000112.3
324N27.7Very low31.6Very low162 Ų162120.1 Ų120.187%0.86670%0.698SS**  trans-75.1139.8-170.3-58.8-70.9000113.1
325L30.7Very low32.2Very low176 Ų176121.3 Ų121.392%0.92169%0.689SS**  trans-137.9135.2155-145.976.2000110.9
326T30.7Very low33Very low134 Ų134120.8 Ų120.882%0.82268%0.678SS**  trans-87.6137-167.841.60000113.3D328T326-D328 PolarHBondContact O-N 3.4Å
327S33.5Very low33.9Very low117 Ų117118.9 Ų118.982%0.81866%0.66SS**  trans-80.2101.3179.758.50000111.7
328D28.8Very low34.9Very low101 Ų101121.9 Ų121.954%0.5466%0.657SS.*  trans-68.5120.8-173.3-177.945.3000113.4T326 S330T326-D328 PolarHBondContact O-N 3.4Å; D328-S330 PolarHBondContact O-N 3.05Å; D328-S330 WeakPolarHBondContact OD2-CB 3.36Å; D328-S330 PolarHBondContact OD2-OG 3.24Å
329P32.6Very low36.1Very low73 Ų73125.9 Ų125.947%0.47466%0.657SS.*THydrogen-bonded Turntrans-69.1-4.4-175.527.7-36.2000114.6T331P329-T331 PolarHBondContact O-N 3.4Å; P329-T331 VanDerWaalsContact O-N 3.16Å
330S36.3Very low37.1Very low37 Ų37123.1 Ų123.126%0.25964%0.642SS.*Hα-helixtrans-65.4-17.9-176.781.80000114.5D328 K334D328-S330 PolarHBondContact O-N 3.05Å; D328-S330 WeakPolarHBondContact OD2-CB 3.36Å; D328-S330 PolarHBondContact OD2-OG 3.24Å; S330-K334 VanDerWaalsContact O-CD 3.24Å; S330-K334 WeakPolarHBondContact O-CD 3.49Å; S330-K334 WeakPolarHBondContact O-CG 3.48Å; S330-K334 PolarHBondContact O-N 3.4Å; S330-K334 PolarHBondContact OG-NZ 3.11Å
331T39.3Very low38.4Very low91 Ų91119.1 Ų119.156%0.55862%0.615SS**Hα-helixtrans-73.5-50-172.854.50000113.7P329 Y333 K334 F335P329-T331 PolarHBondContact O-N 3.4Å; P329-T331 VanDerWaalsContact O-N 3.16Å; T331-Y333 VanDerWaalsContact C-N 3.34Å; T331-Y333 PolarHBondContact O-N 3.18Å; T331-K334 WeakPolarHBondContact O-CB 3.35Å; T331-K334 PolarHBondContact O-N 2.95Å; T331-F335 PolarHBondContact O-N 3.33Å; T331-F335 VanDerWaalsContact O-N 3.1Å
332V42.1Very low39.6Very low97 Ų97113.3 Ų113.359%0.58860%0.598SS**Hα-helixtrans-64.2-39.6-178.6-178.70000111.1K334 F335 Q336V332-K334 VanDerWaalsContact C-N 3.34Å; V332-K334 PolarHBondContact O-N 2.94Å; V332-F335 WeakPolarHBondContact O-CB 3.32Å; V332-F335 PolarHBondContact O-N 2.89Å; V332-F335 VanDerWaalsContact O-N 3.13Å; V332-Q336 PolarHBondContact O-N 3.45Å
333Y34.1Very low40.9Very low128 Ų128110.8 Ų110.850%0.50258%0.578SS.*Hα-helixtrans-62.7-39175.9-78.5-103.5000112.3T331 F335 R337T331-Y333 VanDerWaalsContact C-N 3.34Å; T331-Y333 PolarHBondContact O-N 3.18Å; Y333-F335 VanDerWaalsContact C-N 3.34Å; Y333-R337 WeakPolarHBondContact O-CB 3.44Å; Y333-R337 PolarHBondContact O-N 2.87Å; Y333-R337 VanDerWaalsContact O-N 3.11Å
334K40.7Very low41.9Very low122 Ų122106.5 Ų106.553%0.5355%0.545SS..Hα-helixtrans-63.6-37.3173-72.3162.4-174.2159.40111.6S330 T331 V332 R338S330-K334 VanDerWaalsContact O-CD 3.24Å; S330-K334 WeakPolarHBondContact O-CD 3.49Å; S330-K334 WeakPolarHBondContact O-CG 3.48Å; S330-K334 PolarHBondContact O-N 3.4Å; S330-K334 PolarHBondContact OG-NZ 3.11Å; T331-K334 WeakPolarHBondContact O-CB 3.35Å; T331-K334 PolarHBondContact O-N 2.95Å; V332-K334 VanDerWaalsContact C-N 3.34Å; V332-K334 PolarHBondContact O-N 2.94Å; K334-R338 WeakPolarHBondContact O-CG 3.36Å; K334-R338 PolarHBondContact O-N 2.74Å
335F42.2Very low43.1Very low140 Ų140105.2 Ų105.261%0.61453%0.529SS*.Hα-helixtrans-66.3-48.3176.8-164.9-94.9000112.4T331 V332 Y333 R337 R338 R339T331-F335 PolarHBondContact O-N 3.33Å; T331-F335 VanDerWaalsContact O-N 3.1Å; V332-F335 WeakPolarHBondContact O-CB 3.32Å; V332-F335 PolarHBondContact O-N 2.89Å; V332-F335 VanDerWaalsContact O-N 3.13Å; Y333-F335 VanDerWaalsContact C-N 3.34Å; F335-R337 VanDerWaalsContact C-N 3.33Å; F335-R337 PolarHBondContact O-N 3.32Å; F335-R338 PolarHBondContact O-N 2.59Å; F335-R339 PolarHBondContact O-N 2.87Å; F335-R339 VanDerWaalsContact O-N 3.11Å
336Q47.3Very low44.4Very low115 Ų115101.7 Ų101.754%0.53751%0.508SS..Hα-helixtrans-58.4-43.7177.2-139.479.3-15.100111.6V332 R339 S340V332-Q336 PolarHBondContact O-N 3.45Å; Q336-R339 PolarHBondContact O-N 3.45Å; Q336-S340 PolarHBondContact O-N 2.79Å
337R44.2Very low45.4Very low100 Ų10098 Ų9838%0.37748%0.483SS..Hα-helixtrans-68.2-32.3179.3-167.6176.3-176.6175.51.4112.8Y333 F335 S340 R341Y333-R337 WeakPolarHBondContact O-CB 3.44Å; Y333-R337 PolarHBondContact O-N 2.87Å; Y333-R337 VanDerWaalsContact O-N 3.11Å; F335-R337 VanDerWaalsContact C-N 3.33Å; F335-R337 PolarHBondContact O-N 3.32Å; R337-S340 PolarHBondContact O-OG 3.33Å; R337-R341 PolarHBondContact O-N 2.85Å
338R51.2Low46.2Very low192 Ų19295.6 Ų95.673%0.72547%0.466SS*.Hα-helixtrans-65.4-41.1170.5-78.3175.1175.5178.7-1.2111.6K334 F335 A342K334-R338 WeakPolarHBondContact O-CG 3.36Å; K334-R338 PolarHBondContact O-N 2.74Å; F335-R338 PolarHBondContact O-N 2.59Å; R338-A342 VanDerWaalsContact O-CB 3.23Å; R338-A342 WeakPolarHBondContact O-CB 3.39Å; R338-A342 PolarHBondContact O-N 3.43Å
339R54.1Low46.9Very low184 Ų18492 Ų9269%0.69445%0.453SS*.Hα-helixtrans-67.1-43.4-178.7-174.1170172.6157.8-4.6113F335 Q336 A342 V343F335-R339 PolarHBondContact O-N 2.87Å; F335-R339 VanDerWaalsContact O-N 3.11Å; Q336-R339 PolarHBondContact O-N 3.45Å; R339-A342 PolarHBondContact O-N 3.49Å; R339-V343 PolarHBondContact O-N 3.37Å
340S50.2Low47.7Very low54 Ų5497.1 Ų97.138%0.37846%0.463SS..Hα-helixtrans-64.2-48.5176.458.10000111.9Q336 R337 A342 V343 L344Q336-S340 PolarHBondContact O-N 2.79Å; R337-S340 PolarHBondContact O-OG 3.33Å; S340-A342 VanDerWaalsContact C-N 3.32Å; S340-A342 PolarHBondContact O-N 3.47Å; S340-V343 PolarHBondContact O-N 2.78Å; S340-L344 WeakPolarHBondContact O-CG 3.44Å; S340-L344 PolarHBondContact O-N 3.17Å; S340-L344 VanDerWaalsContact O-N 3.12Å
341R52.9Low48.1Very low66 Ų66100.9 Ų100.925%0.24948%0.475CS..Hα-helixtrans-65.2-32.3177.5-66.1-171.378.4169.8-3.5112.6E91 Q93 R337 V343 L344 Y345E91-R341 IonicContact OE1-CZ 2.63Å; E91-R341 IonicContact OE1-NE 3.32Å; E91-R341 IonicContact OE1-NH2 3.84Å; E91-R341 PolarHBondContact OE1-NH2 3.01Å; E91-R341 IonicContact OE2-NH2 3.66Å; Q93-R341 VanDerWaalsContact CD-NH1 3.29Å; Q93-R341 VanDerWaalsContact NE2-NH1 3.13Å; R337-R341 PolarHBondContact O-N 2.85Å; R341-V343 PolarHBondContact O-N 3.11Å; R341-L344 PolarHBondContact O-N 3.27Å; R341-Y345 HydrophobicContact CB-CD2 4.32Å; R341-Y345 HydrophobicContact CB-CE2 4.22Å; R341-Y345 PolarHBondContact NH2-OH 2.95Å; R341-Y345 WeakPolarHBondContact O-CD2 3.47Å; R341-Y345 PolarHBondContact O-N 3.03Å
342A55.4Low48.3Very low56 Ų56101.7 Ų101.746%0.46348%0.476SS..Hα-helixtrans-63.1-38.9173.100000113.2R338 R339 S340 H346R338-A342 VanDerWaalsContact O-CB 3.23Å; R338-A342 WeakPolarHBondContact O-CB 3.39Å; R338-A342 PolarHBondContact O-N 3.43Å; R339-A342 PolarHBondContact O-N 3.49Å; S340-A342 VanDerWaalsContact C-N 3.32Å; S340-A342 PolarHBondContact O-N 3.47Å; A342-H346 WeakPolarHBondContact O-CB 3.14Å; A342-H346 PolarHBondContact O-N 2.85Å
343V53Low48.2Very low63 Ų63105.7 Ų105.738%0.38249%0.488SS..Hα-helixtrans-65-42.1173.2174.20000110.7F22 R339 S340 R341 H346 L347F22-V343 HydrophobicContact CZ-CG1 4.15Å; R339-V343 PolarHBondContact O-N 3.37Å; S340-V343 PolarHBondContact O-N 2.78Å; R341-V343 PolarHBondContact O-N 3.11Å; V343-H346 PolarHBondContact O-N 3.33Å; V343-L347 HydrophobicContact CG1-CD1 4.1Å; V343-L347 WeakPolarHBondContact O-CG 3.28Å; V343-L347 PolarHBondContact O-N 2.99Å
344L53.6Low48.4Very low29 Ų29109.3 Ų109.315%0.15251%0.506CS..Hα-helixtrans-63.8-44.6177-66.2165.1000112.2V113 L126 S340 R341 H346 L347 S348V113-L344 HydrophobicContact CG2-CD1 4.21Å; L126-L344 HydrophobicContact CD2-CD2 3.42Å; L126-L344 VanDerWaalsContact CD2-CD2 3.42Å; S340-L344 WeakPolarHBondContact O-CG 3.44Å; S340-L344 PolarHBondContact O-N 3.17Å; S340-L344 VanDerWaalsContact O-N 3.12Å; R341-L344 PolarHBondContact O-N 3.27Å; L344-H346 VanDerWaalsContact C-N 3.31Å; L344-H346 PolarHBondContact O-N 2.93Å; L344-L347 PolarHBondContact O-N 2.84Å; L344-L347 VanDerWaalsContact O-N 3.11Å; L344-S348 PolarHBondContact O-N 3.26Å; L344-S348 PolarHBondContact O-OG 3.49Å; L344-S348 VanDerWaalsContact O-OG 3.11Å
345Y52.1Low48.1Very low134 Ų134107.4 Ų107.453%0.52551%0.508SS..Hα-helixtrans-66.2-28.3174.2-76.1-59.5000113.4R341 G349R341-Y345 HydrophobicContact CB-CD2 4.32Å; R341-Y345 HydrophobicContact CB-CE2 4.22Å; R341-Y345 PolarHBondContact NH2-OH 2.95Å; R341-Y345 WeakPolarHBondContact O-CD2 3.47Å; R341-Y345 PolarHBondContact O-N 3.03Å; Y345-G349 VanDerWaalsContact O-CA 3.24Å; Y345-G349 WeakPolarHBondContact O-CA 3.26Å; Y345-G349 PolarHBondContact O-N 2.99Å
346H57.3Low47.6Very low103 Ų103109.9 Ų109.948%0.47752%0.519SS..Hα-helixtrans-76.1-25.3171.2178.1-106.5000112.9A342 V343 L344 R350A342-H346 WeakPolarHBondContact O-CB 3.14Å; A342-H346 PolarHBondContact O-N 2.85Å; V343-H346 PolarHBondContact O-N 3.33Å; L344-H346 VanDerWaalsContact C-N 3.31Å; L344-H346 PolarHBondContact O-N 2.93Å; H346-R350 PolarHBondContact NE2-NE 3.43Å; H346-R350 WeakPolarHBondContact O-CG 3.46Å
347L53.2Low47.2Very low57 Ų57112.9 Ų112.930%0.29853%0.532SS..Hα-helixtrans-78.3-47.1173-71.3167.1000111.8F22 V343 L344F22-L347 HydrophobicContact CE2-CD1 4.31Å; F22-L347 HydrophobicContact CZ-CD1 4.5Å; V343-L347 HydrophobicContact CG1-CD1 4.1Å; V343-L347 WeakPolarHBondContact O-CG 3.28Å; V343-L347 PolarHBondContact O-N 2.99Å; L344-L347 PolarHBondContact O-N 2.84Å; L344-L347 VanDerWaalsContact O-N 3.11Å
348S49.9Very low46.5Very low66 Ų66117.9 Ų117.946%0.46256%0.557SS.*Hα-helixtrans-75.3-39.9178.2620000112.9L344 R350 F351L344-S348 PolarHBondContact O-N 3.26Å; L344-S348 PolarHBondContact O-OG 3.49Å; L344-S348 VanDerWaalsContact O-OG 3.11Å; S348-R350 PolarHBondContact O-N 2.93Å; S348-R350 VanDerWaalsContact O-N 3.1Å; S348-F351 PolarHBondContact O-N 3.48Å
349G43.2Very low45.6Very low26 Ų26116 Ų11627%0.26856%0.561SS.*Hα-helixtrans-63.7-15.7-179.600000114.7Y345 F351Y345-G349 VanDerWaalsContact O-CA 3.24Å; Y345-G349 WeakPolarHBondContact O-CA 3.26Å; Y345-G349 PolarHBondContact O-N 2.99Å; G349-F351 PolarHBondContact O-N 3.31Å
350R49.8Very low44.5Very low180 Ų180113 Ų11368%0.67957%0.565SS**Hα-helixtrans-68.9-14.8169.6-82.5-178.3176.4-144.8-4.5114H346 S348H346-R350 PolarHBondContact NE2-NE 3.43Å; H346-R350 WeakPolarHBondContact O-CG 3.46Å; S348-R350 PolarHBondContact O-N 2.93Å; S348-R350 VanDerWaalsContact O-N 3.1Å
351F43.3Very low43.7Very low116 Ų116120.7 Ų120.751%0.50959%0.591SS.*Hα-helixtrans-101.1-30.8175.3-70.7-77.9000113.5D118 S348 G349D118-F351 HydrophobicContact CB-CE1 4.13Å; S348-F351 PolarHBondContact O-N 3.48Å; G349-F351 PolarHBondContact O-N 3.31Å
352D43.9Very low42.7Very low108 Ų108126.8 Ų126.858%0.57862%0.62SS**Hα-helixtrans-85.9-5.9-171.8-138.7-29.5000115.1K354 S355D352-K354 PolarHBondContact O-N 2.9Å; D352-S355 PolarHBondContact O-N 3.39Å; D352-S355 PolarHBondContact O-OG 3Å; D352-S355 WeakPolarHBondContact OD1-CB 3.49Å; D352-S355 PolarHBondContact OD1-OG 3.11Å
353Q40.5Very low41.4Very low181 Ų181133.4 Ų133.485%0.84664%0.638SS**THydrogen-bonded Turntrans-70.227.3-178.2-80.8-172.4-10.900115.8
354K37.7Very low40.4Very low203 Ų203140.8 Ų140.888%0.88367%0.665SS**THydrogen-bonded Turntrans-131.61174.8-71-173.4177.2177.20115D352D352-K354 PolarHBondContact O-N 2.9Å
355S34.6Very low39.3Very low82 Ų82146.7 Ų146.757%0.57369%0.693SS**SBendtrans-91.611.1-171.857.40000115.6D352D352-S355 PolarHBondContact O-N 3.39Å; D352-S355 PolarHBondContact O-OG 3Å; D352-S355 WeakPolarHBondContact OD1-CB 3.49Å; D352-S355 PolarHBondContact OD1-OG 3.11Å
356K32.5Very low38.3Very low192 Ų192150.1 Ų150.184%0.83571%0.705SS**  trans-132.269.1-177.1-71.1-172.7179.1179.20115.1
357H38Very low37.2Very low179 Ų179153.2 Ų153.283%0.82972%0.723SS**  trans-146.9128150.6-117.5-89.5000110.2L359H357-L359 PolarHBondContact O-N 3.44Å
358K29.3Very low36.2Very low205 Ų205156.2 Ų156.289%0.89175%0.749SS**  trans-81.1113.1178.7-70.7179.3178177.40110.3
359L33.3Very low35.1Very low153 Ų153156.3 Ų156.380%0.80176%0.76SS**  trans-142.8121.7153.7-85.8109.9000109.1H357H357-L359 PolarHBondContact O-N 3.44Å
360P31.2Very low34.5Very low120 Ų120161.7 Ų161.778%0.77978%0.776SS**  trans-92.2118.7179.633.5-30.3000111.6
361F33.7Very low33.5Very low215 Ų215162.8 Ų162.894%0.94379%0.789SS**  trans-127.9132.4157.1-112.1-90.6000110.5
362K31Very low33.1Very low195 Ų195163 Ų16385%0.84880%0.799SS**  trans-90.1160.4-169.4-74.1177.8174.2173.80112.1
363K29Very low32.5Very low195 Ų195165.2 Ų165.285%0.84881%0.81SS**  trans62.789.2162.6-66.6-179.2175.3-175.80117
364F31.1Very low32.1Very low217 Ų217160.2 Ų160.295%0.95279%0.793SS**  -150.5118.6111.9-126.5-87000109
365Q31.5Very low31.8Very low154 Ų154156.8 Ų156.872%0.7278%0.78SS**  trans-153.9146.1-177.1-155.1-164.746.500110.4
366R30.6Very low31.8Very low206 Ų206161.5 Ų161.578%0.77779%0.787SS**  trans73.8107169.3-46.1-178-165.2-169.40.8116.8
367I33.1Very low31.9Very low167 Ų167158.2 Ų158.286%0.85677%0.772SS**  -169.199.1118.8-84.2145.6000102.1
368S32Very low32.1Very low121 Ų121153.6 Ų153.685%0.84676%0.757SS**  72.399.363.7-165.50000112.4
369G28.3Very low32.4Very low68 Ų68150 Ų15070%0.70174%0.743SS**  trans163.5131.4173.900000113.9
370K30.7Very low33Very low138 Ų138147.5 Ų147.560%0.673%0.731SS**  trans55.998.5163.3-60167.8-168.2159.30117T372 D1090K370-T372 PolarHBondContact O-N 3.07Å; K370-D1090 IonicContact NZ-OD1 2.69Å; K370-D1090 PolarHBondContact NZ-OD1 3.26Å; K370-D1090 IonicContact NZ-OD2 3.47Å; K370-D1090 PolarHBondContact NZ-OD2 3.37Å
371E28.5Very low33.9Very low204 Ų204145.8 Ų145.895%0.95372%0.717SS**  trans-72.6113.9159.1-62.1-174.9130.100109.6
372T33.6Very low34.7Very low119 Ų119144.2 Ų144.273%0.7371%0.713SS**  trans-132.9124.6172.458.80000111K370K370-T372 PolarHBondContact O-N 3.07Å
373I33.1Very low35.8Very low156 Ų156136.8 Ų136.880%0.869%0.688SS**  trans-7.3125.1165.5-54.5163.4000114.7E375I373-E375 PolarHBondContact O-N 3.24Å; I373-E375 VanDerWaalsContact O-N 3.1Å
374P32.3Very low37.4Very low75 Ų75130.7 Ų130.749%0.48767%0.67SS.*  trans-64.9113.7175.427.7-33.6000111Y376P374-Y376 PolarHBondContact O-N 3.29Å
375E31.3Very low39Very low131 Ų131130.1 Ų130.161%0.61267%0.667SS**  trans-61.5128177.6-162.5-161.4169.100110.8I373 K377I373-E375 PolarHBondContact O-N 3.24Å; I373-E375 VanDerWaalsContact O-N 3.1Å; E375-K377 PolarHBondContact O-N 3.34Å; E375-K377 IonicContact OE1-NZ 3.01Å; E375-K377 PolarHBondContact OE1-NZ 2.97Å; E375-K377 IonicContact OE2-NZ 3.12Å; E375-K377 PolarHBondContact OE2-NZ 3.34Å
376Y34.4Very low41.1Very low181 Ų181130.1 Ų130.171%0.7167%0.665SS**  trans-70.945.1179.2-89.7-131.3000113.3N12 P374N12-Y376 WeakPolarHBondContact ND2-CE1 3.41Å; P374-Y376 PolarHBondContact O-N 3.29Å
377K34.3Very low43.6Very low123 Ų123121.5 Ų121.554%0.53563%0.634SS.*  trans-77.7129.7174.6-102.7-174.8-178.176.80110.7E375 Q379E375-K377 PolarHBondContact O-N 3.34Å; E375-K377 IonicContact OE1-NZ 3.01Å; E375-K377 PolarHBondContact OE1-NZ 2.97Å; E375-K377 IonicContact OE2-NZ 3.12Å; E375-K377 PolarHBondContact OE2-NZ 3.34Å; K377-Q379 VanDerWaalsContact C-N 3.3Å; K377-Q379 PolarHBondContact O-N 3.25Å
378V41.1Very low46.1Very low83 Ų83114.8 Ų114.850%0.50360%0.6SS.*  trans-65.593.2166.3-177.50000108L8 D380L8-V378 HydrophobicContact CB-CG1 3.75Å; L8-V378 HydrophobicContact CD1-CG1 4.2Å; V378-D380 PolarHBondContact O-N 3.33Å
379Q36.8Very low48.6Very low130 Ų130110.9 Ų110.961%0.60757%0.569SS**  trans-68.6125.9-175.2-167.3168.56.100109.8K377 V381K377-Q379 VanDerWaalsContact C-N 3.3Å; K377-Q379 PolarHBondContact O-N 3.25Å; Q379-V381 PolarHBondContact O-N 3.21Å
380D45.2Very low51.1Low100 Ų100108.7 Ų108.754%0.53554%0.541SS..  trans-49.9102.7172.7-79.2-37.7000108.6V378 Q382 K1082V378-D380 PolarHBondContact O-N 3.33Å; D380-Q382 PolarHBondContact O-N 2.69Å; D380-Q382 VanDerWaalsContact O-N 3.07Å; D380-K1082 IonicContact OD2-NZ 2.87Å; D380-K1082 PolarHBondContact OD2-NZ 2.89Å
381V50.1Low53.5Low83 Ų83106 Ų10650%0.50353%0.528SS..  trans-61.3117.5-176170.40000108.1L8 Q379 A383L8-V381 HydrophobicContact CD2-CB 4.04Å; L8-V381 HydrophobicContact CD2-CG2 3.85Å; Q379-V381 PolarHBondContact O-N 3.21Å; V381-A383 VanDerWaalsContact C-N 3.31Å; V381-A383 PolarHBondContact O-N 3.02Å
382Q50.8Low56.2Low182 Ų18297.7 Ų97.785%0.8549%0.492SS*.  trans-67.192.5178-67.5-1715.600109.1D380 S384D380-Q382 PolarHBondContact O-N 2.69Å; D380-Q382 VanDerWaalsContact O-N 3.07Å; Q382-S384 PolarHBondContact O-N 3.44Å
383A54.3Low58.7Low39 Ų3993.7 Ų93.732%0.32247%0.465SS..  trans-51.5135.7169.900000108.9V381 I387 Y460V381-A383 VanDerWaalsContact C-N 3.31Å; V381-A383 PolarHBondContact O-N 3.02Å; A383-I387 HydrophobicContact CB-CB 4.41Å; A383-Y460 HydrophobicContact CB-CD1 4.2Å; A383-Y460 HydrophobicContact CB-CE1 4.1Å
384S62Low61.3Low67 Ų6791.5 Ų91.547%0.46945%0.451SS..  trans-59.3147.1176.273.20000109.2Q382 F386 I387Q382-S384 PolarHBondContact O-N 3.44Å; S384-F386 PolarHBondContact O-N 2.82Å; S384-I387 PolarHBondContact O-N 2.87Å; S384-I387 WeakPolarHBondContact OG-CD1 3.29Å; S384-I387 WeakPolarHBondContact OG-CG1 3.4Å
385K64.4Low63.9Low205 Ų20588.5 Ų88.589%0.89143%0.43SS*.THydrogen-bonded Turntrans-54.2-14.6-165.3-66.5-175.4177.3-178.10116.1
386F76.1Confident66.4Low155 Ų15584.5 Ų84.568%0.6841%0.412SS*.THydrogen-bonded Turntrans-111.49-177.5-58.6-74.3000114.2S384S384-F386 PolarHBondContact O-N 2.82Å
387I83.6Confident69Low25 Ų2581.4 Ų81.413%0.12841%0.407CS..PPolyproline II helixtrans-94.9126.9173.2-65.6166.4000109.9A383 S384 T450 Y460 L462A383-I387 HydrophobicContact CB-CB 4.41Å; S384-I387 PolarHBondContact O-N 2.87Å; S384-I387 WeakPolarHBondContact OG-CD1 3.29Å; S384-I387 WeakPolarHBondContact OG-CG1 3.4Å; I387-T450 HydrophobicContact CG2-CG2 3.45Å; I387-T450 VanDerWaalsContact CG2-CG2 3.45Å; I387-Y460 WeakPolarHBondContact CD1-O 3.36Å; I387-Y460 HydrophobicContact CG2-CD1 4.41Å; I387-L462 HydrophobicContact CD1-CD1 3.88Å; I387-L462 HydrophobicContact CG1-CD1 3.71Å
388L84.7Confident71.6Confident26 Ų2677 Ų7714%0.13639%0.387CS..BIsolated β-bridgetrans-95.2121.5177.4-17855.8000111.3F394 K395 L445 W448 T449 T450L388-F394 HydrophobicContact CD1-CD1 4.02Å; L388-F394 HydrophobicContact CD2-CD1 3.92Å; L388-F394 HydrophobicContact CD2-CE1 4.21Å; L388-K395 HydrophobicContact CD1-CB 4.35Å; L388-K395 HydrophobicContact CD2-CB 4Å; L388-K395 HydrophobicContact CD2-CD 4.25Å; L388-K395 HydrophobicContact CD2-CG 4.4Å; L388-K395 HydrophobicContact CG-CB 4.14Å; L388-L445 HydrophobicContact CD2-CD2 4.49Å; L388-W448 PolarHBondContact N-O 3.35Å; L388-T449 HydrophobicContact CB-CG2 4.07Å; L388-T449 HydrophobicContact CD2-CG2 3.92Å; L388-T449 HydrophobicContact CG-CG2 4.08Å; L388-T449 VanDerWaalsContact O-CA 3.28Å; L388-T449 WeakPolarHBondContact O-CA 3.49Å; L388-T450 PolarHBondContact O-N 3.08Å; L388-T450 PolarHBondContact O-OG1 2.78Å
389L84.4Confident73.7Confident39 Ų3973.2 Ų73.220%0.20436%0.363CS..PPolyproline II helixtrans-70.7132.3175-116.151.1000111.2Y391 S392 T450 Y460L389-Y391 HydrophobicContact CD2-CD2 4.44Å; L389-Y391 HydrophobicContact CD2-CE1 3.96Å; L389-Y391 HydrophobicContact CD2-CE2 3.66Å; L389-Y391 WeakPolarHBondContact CD2-OH 3.38Å; L389-Y391 HydrophobicContact CG-CD1 4.38Å; L389-Y391 HydrophobicContact CG-CE1 3.89Å; L389-Y391 HydrophobicContact CG-CE2 4.33Å; L389-Y391 PolarHBondContact O-N 3.46Å; L389-S392 WeakPolarHBondContact O-CB 3.37Å; L389-S392 PolarHBondContact O-N 3.1Å; L389-T450 HydrophobicContact CD1-CG2 3.91Å; L389-Y460 HydrophobicContact CD1-CE1 3.86Å
390H81.9Confident75.9Confident22 Ų2272.6 Ų72.610%0.10236%0.356CS..THydrogen-bonded Turntrans-60.4-30.7-179.756-80.9000113.8Q3 T450 V452Q3-H390 PolarHBondContact NE2-O 3.4Å; Q3-H390 VanDerWaalsContact OE1-C 3.32Å; Q3-H390 PolarHBondContact OE1-CD2 2.74Å; Q3-H390 VanDerWaalsContact OE1-CD2 3.26Å; Q3-H390 PolarHBondContact OE1-O 3.36Å; H390-T450 WeakPolarHBondContact CB-O 3.45Å; H390-T450 PolarHBondContact N-OG1 2.88Å; H390-T450 VanDerWaalsContact N-OG1 3.16Å; H390-T450 PolarHBondContact ND1-OG1 3.34Å; H390-V452 WeakPolarHBondContact NE2-CG2 3.38Å
391Y81.9Confident77.9Confident82 Ų8271 Ų7132%0.32235%0.346SS..THydrogen-bonded Turntrans-92.59174.362.5-98.4000114L389L389-Y391 HydrophobicContact CD2-CD2 4.44Å; L389-Y391 HydrophobicContact CD2-CE1 3.96Å; L389-Y391 HydrophobicContact CD2-CE2 3.66Å; L389-Y391 WeakPolarHBondContact CD2-OH 3.38Å; L389-Y391 HydrophobicContact CG-CD1 4.38Å; L389-Y391 HydrophobicContact CG-CE1 3.89Å; L389-Y391 HydrophobicContact CG-CE2 4.33Å; L389-Y391 PolarHBondContact O-N 3.46Å
392S84Confident79.7Confident28 Ų2867.1 Ų67.120%0.19632%0.322CS..  trans-68.2136.3173.6-176.10000110.6L389 F394 K395 I396L389-S392 WeakPolarHBondContact O-CB 3.37Å; L389-S392 PolarHBondContact O-N 3.1Å; S392-F394 PolarHBondContact O-N 3.19Å; S392-F394 VanDerWaalsContact O-N 3.14Å; S392-K395 PolarHBondContact O-N 3.15Å; S392-I396 PolarHBondContact O-N 3.02Å
393L85.7Confident81.1Confident35 Ų3558.9 Ų58.918%0.18328%0.284CS..Hα-helixtrans-56.1-32.4176.2-59.2-169000112.6I396 I397 R1342 Y1344L393-I396 HydrophobicContact CD2-CD1 4.22Å; L393-I396 PolarHBondContact O-N 3.16Å; L393-I397 WeakPolarHBondContact O-CB 3.33Å; L393-I397 VanDerWaalsContact O-CG1 3.3Å; L393-I397 WeakPolarHBondContact O-CG1 3.42Å; L393-I397 PolarHBondContact O-N 3.31Å; L393-R1342 HydrophobicContact CD1-CG 4.34Å; L393-Y1344 HydrophobicContact CD1-CE2 3.76Å; L393-Y1344 HydrophobicContact CD2-CE2 3.84Å; L393-Y1344 WeakPolarHBondContact CD2-OH 3.3Å; L393-Y1344 HydrophobicContact CG-CE2 4.44Å
394F89.2Confident82.6Confident111 Ų11163 Ų6349%0.48730%0.3SS..Hα-helixtrans-60.9-46.4174.9179.5-98.4000111.5L388 S392 I396 I397 W398L388-F394 HydrophobicContact CD1-CD1 4.02Å; L388-F394 HydrophobicContact CD2-CD1 3.92Å; L388-F394 HydrophobicContact CD2-CE1 4.21Å; S392-F394 PolarHBondContact O-N 3.19Å; S392-F394 VanDerWaalsContact O-N 3.14Å; F394-I396 VanDerWaalsContact C-N 3.32Å; F394-I396 PolarHBondContact O-N 3.34Å; F394-I397 PolarHBondContact O-N 3.22Å; F394-W398 HydrophobicContact CZ-CE3 4.16Å; F394-W398 WeakPolarHBondContact O-CB 3.44Å; F394-W398 PolarHBondContact O-N 3.38Å
395K85.9Confident83.7Confident11 Ų1160.5 Ų60.55%0.04828%0.282CS..Hα-helixtrans-67.6-32.5176-173.747.9169.4152.80111.8L388 S392 D399 D442 N446 T449L388-K395 HydrophobicContact CD1-CB 4.35Å; L388-K395 HydrophobicContact CD2-CB 4Å; L388-K395 HydrophobicContact CD2-CD 4.25Å; L388-K395 HydrophobicContact CD2-CG 4.4Å; L388-K395 HydrophobicContact CG-CB 4.14Å; S392-K395 PolarHBondContact O-N 3.15Å; K395-D399 IonicContact NZ-OD1 2.67Å; K395-D399 PolarHBondContact NZ-OD1 3.15Å; K395-D399 IonicContact NZ-OD2 2.74Å; K395-D399 WeakPolarHBondContact O-CB 3.16Å; K395-D399 PolarHBondContact O-N 3.09Å; K395-D442 IonicContact NZ-OD1 2.78Å; K395-D442 PolarHBondContact NZ-OD1 3.09Å; K395-N446 PolarHBondContact NZ-OD1 3.38Å; K395-T449 HydrophobicContact CD-CG2 4.08Å; K395-T449 HydrophobicContact CG-CG2 4.39Å
396I84Confident84.6Confident47 Ų4750.9 Ų50.924%0.24124%0.241CC..Hα-helixtrans-67.1-49175.1-65.7168000111.2S392 L393 F394 D399 W400S392-I396 PolarHBondContact O-N 3.02Å; L393-I396 HydrophobicContact CD2-CD1 4.22Å; L393-I396 PolarHBondContact O-N 3.16Å; F394-I396 VanDerWaalsContact C-N 3.32Å; F394-I396 PolarHBondContact O-N 3.34Å; I396-D399 PolarHBondContact O-N 3.38Å; I396-W400 VanDerWaalsContact O-CD1 3.25Å; I396-W400 PolarHBondContact O-N 3.02Å; I396-W400 VanDerWaalsContact O-N 3.09Å
397I88.7Confident84.9Confident117 Ų11744.8 Ų44.860%0.621%0.214SC*.Hα-helixtrans-63-43.3177.4-67.1164.5000110.3L393 F394 D399 W400 M401L393-I397 WeakPolarHBondContact O-CB 3.33Å; L393-I397 VanDerWaalsContact O-CG1 3.3Å; L393-I397 WeakPolarHBondContact O-CG1 3.42Å; L393-I397 PolarHBondContact O-N 3.31Å; F394-I397 PolarHBondContact O-N 3.22Å; I397-D399 PolarHBondContact O-N 3.3Å; I397-W400 WeakPolarHBondContact O-CB 3.26Å; I397-W400 PolarHBondContact O-N 3.21Å; I397-M401 PolarHBondContact O-N 3.08Å
398W89.5Confident85.1Confident31 Ų3146.3 Ų46.312%0.11722%0.218CC..Hα-helixtrans-60.1-42.8173.2-173.5-85.8000112.1F394 W400 M401 I402 L438 I441 D442 L445F394-W398 HydrophobicContact CZ-CE3 4.16Å; F394-W398 WeakPolarHBondContact O-CB 3.44Å; F394-W398 PolarHBondContact O-N 3.38Å; W398-W400 VanDerWaalsContact C-N 3.25Å; W398-W400 PolarHBondContact O-N 2.85Å; W398-M401 HydrophobicContact CD2-CE 3.91Å; W398-M401 HydrophobicContact CE3-CE 3.56Å; W398-M401 HydrophobicContact CH2-CE 3.63Å; W398-M401 HydrophobicContact CZ2-CE 3.98Å; W398-M401 HydrophobicContact CZ3-CE 3.42Å; W398-M401 VanDerWaalsContact CZ3-CE 3.42Å; W398-M401 PolarHBondContact O-N 2.84Å; W398-M401 VanDerWaalsContact O-N 3.15Å; W398-I402 HydrophobicContact CZ2-CD1 4.2Å; W398-I402 WeakPolarHBondContact O-CG1 3.42Å; W398-I402 PolarHBondContact O-N 2.99Å; W398-L438 HydrophobicContact CH2-CD2 4.01Å; W398-I441 HydrophobicContact CH2-CB 4.11Å; W398-I441 HydrophobicContact CH2-CG2 3.49Å; W398-I441 VanDerWaalsContact CH2-CG2 3.49Å; W398-I441 HydrophobicContact CZ2-CB 4.08Å; W398-I441 HydrophobicContact CZ2-CG2 3.64Å; W398-I441 HydrophobicContact CZ3-CG2 4.5Å; W398-D442 VanDerWaalsContact CD1-OD1 3.32Å; W398-D442 PolarHBondContact NE1-OD1 2.86Å; W398-L445 HydrophobicContact CD2-CD1 3.76Å; W398-L445 VanDerWaalsContact CE2-CD1 3.45Å; W398-L445 HydrophobicContact CE3-CD1 4.18Å; W398-L445 HydrophobicContact CG-CD1 4.32Å; W398-L445 HydrophobicContact CH2-CD1 4.11Å; W398-L445 HydrophobicContact CZ2-CD1 3.67Å; W398-L445 HydrophobicContact CZ3-CD1 4.33Å
399D83.9Confident85.1Confident2 Ų245.4 Ų45.41%0.01121%0.214CC..Hα-helixtrans-66.1-24.5177.9-81.7-29.5000113.5K395 I396 I397 L403 K523 R526K395-D399 IonicContact NZ-OD1 2.67Å; K395-D399 PolarHBondContact NZ-OD1 3.15Å; K395-D399 IonicContact NZ-OD2 2.74Å; K395-D399 WeakPolarHBondContact O-CB 3.16Å; K395-D399 PolarHBondContact O-N 3.09Å; I396-D399 PolarHBondContact O-N 3.38Å; I397-D399 PolarHBondContact O-N 3.3Å; D399-L403 WeakPolarHBondContact O-CB 3.48Å; D399-L403 PolarHBondContact O-N 3.43Å; D399-K523 PolarHBondContact O-NZ 3.07Å; D399-K523 WeakPolarHBondContact OD1-CE 3.46Å; D399-K523 IonicContact OD1-NZ 3.61Å; D399-K523 PolarHBondContact OD1-NZ 3.38Å; D399-R526 IonicContact OD2-CZ 2.64Å; D399-R526 IonicContact OD2-NH1 2.82Å; D399-R526 PolarHBondContact OD2-NH1 2.87Å; D399-R526 IonicContact OD2-NH2 2.61Å
400W84.3Confident85.1Confident118 Ų11843.6 Ų43.645%0.44721%0.205SC..Hα-helixtrans-78.9-39168.5-82.4104.1000113I396 I397 W398 L403 L404 Y527 V533I396-W400 VanDerWaalsContact O-CD1 3.25Å; I396-W400 PolarHBondContact O-N 3.02Å; I396-W400 VanDerWaalsContact O-N 3.09Å; I397-W400 WeakPolarHBondContact O-CB 3.26Å; I397-W400 PolarHBondContact O-N 3.21Å; W398-W400 VanDerWaalsContact C-N 3.25Å; W398-W400 PolarHBondContact O-N 2.85Å; W400-L403 HydrophobicContact CD2-CD2 4.46Å; W400-L403 HydrophobicContact CE3-CD2 3.63Å; W400-L403 HydrophobicContact CH2-CD2 4.46Å; W400-L403 HydrophobicContact CZ3-CD2 3.63Å; W400-L403 WeakPolarHBondContact O-CB 3.19Å; W400-L403 PolarHBondContact O-N 3.09Å; W400-L404 PolarHBondContact O-N 2.9Å; W400-Y527 AromaticContact CE2-CE1 3.82Å; W400-Y527 HydrophobicContact CZ2-CD1 4.03Å; W400-Y527 AromaticContact CZ2-CE1 3.75Å; W400-Y527 HydrophobicContact CZ2-CE1 3.75Å; W400-Y527 AromaticContact NE1-CE1 3.91Å; W400-V533 HydrophobicContact CH2-CG1 4.24Å
401M87.7Confident85.4Confident67 Ų6746.2 Ų46.233%0.3322%0.218SC..Hα-helixtrans-62.4-47174.8-171.8-175.573.900110.9I397 W398 L403 L404 C405 L438I397-M401 PolarHBondContact O-N 3.08Å; W398-M401 HydrophobicContact CD2-CE 3.91Å; W398-M401 HydrophobicContact CE3-CE 3.56Å; W398-M401 HydrophobicContact CH2-CE 3.63Å; W398-M401 HydrophobicContact CZ2-CE 3.98Å; W398-M401 HydrophobicContact CZ3-CE 3.42Å; W398-M401 VanDerWaalsContact CZ3-CE 3.42Å; W398-M401 PolarHBondContact O-N 2.84Å; W398-M401 VanDerWaalsContact O-N 3.15Å; M401-L403 VanDerWaalsContact C-N 3.28Å; M401-L403 PolarHBondContact O-N 3.18Å; M401-L404 WeakPolarHBondContact O-CB 3.46Å; M401-L404 PolarHBondContact O-N 3.37Å; M401-L404 VanDerWaalsContact O-N 3.16Å; M401-C405 PolarHBondContact O-N 3.44Å; M401-C405 PolarHBondContact O-SG 2.83Å; M401-L438 HydrophobicContact CE-CD1 4.19Å; M401-L438 HydrophobicContact CE-CD2 3.8Å; M401-L438 HydrophobicContact CE-CG 4.49Å
402I85.9Confident85.6Confident1 Ų144.7 Ų44.71%0.00522%0.215CC..Hα-helixtrans-62.5-34.4175.1-65-63.5000111.7W398 C405 T406 L438 F439 D442W398-I402 HydrophobicContact CZ2-CD1 4.2Å; W398-I402 WeakPolarHBondContact O-CG1 3.42Å; W398-I402 PolarHBondContact O-N 2.99Å; I402-C405 PolarHBondContact O-N 3.23Å; I402-T406 PolarHBondContact O-N 3.15Å; I402-T406 PolarHBondContact O-OG1 2.94Å; I402-L438 HydrophobicContact CD1-CB 4.32Å; I402-F439 HydrophobicContact CG2-CD1 4.48Å; I402-F439 HydrophobicContact CG2-CE1 3.79Å; I402-F439 HydrophobicContact CG2-CZ 4.34Å; I402-D442 HydrophobicContact CD1-CB 3.94Å; I402-D442 HydrophobicContact CG1-CB 4.28Å
403L80.6Confident85.5Confident9 Ų943.5 Ų43.55%0.04721%0.206CC..Hα-helixtrans-62-45.917317465.3000111.4D399 W400 M401 T406 F407 L520 Y527D399-L403 WeakPolarHBondContact O-CB 3.48Å; D399-L403 PolarHBondContact O-N 3.43Å; W400-L403 HydrophobicContact CD2-CD2 4.46Å; W400-L403 HydrophobicContact CE3-CD2 3.63Å; W400-L403 HydrophobicContact CH2-CD2 4.46Å; W400-L403 HydrophobicContact CZ3-CD2 3.63Å; W400-L403 WeakPolarHBondContact O-CB 3.19Å; W400-L403 PolarHBondContact O-N 3.09Å; M401-L403 VanDerWaalsContact C-N 3.28Å; M401-L403 PolarHBondContact O-N 3.18Å; L403-T406 WeakPolarHBondContact CA-OG1 3.36Å; L403-T406 PolarHBondContact O-N 2.76Å; L403-T406 PolarHBondContact O-OG1 2.99Å; L403-F407 HydrophobicContact CD1-CD2 3.99Å; L403-F407 HydrophobicContact CD1-CE2 3.57Å; L403-F407 HydrophobicContact CD1-CZ 4.46Å; L403-F407 HydrophobicContact CG-CD2 4.15Å; L403-F407 HydrophobicContact CG-CE2 3.97Å; L403-F407 WeakPolarHBondContact O-CD2 3.48Å; L403-F407 PolarHBondContact O-N 2.95Å; L403-F407 VanDerWaalsContact O-N 3.1Å; L403-L520 HydrophobicContact CD1-CD1 3.82Å; L403-L520 HydrophobicContact CD1-CD2 3.41Å; L403-L520 VanDerWaalsContact CD1-CD2 3.41Å; L403-L520 HydrophobicContact CD1-CG 4.24Å; L403-Y527 HydrophobicContact CD2-CE2 4.13Å
404L85.4Confident85.5Confident125 Ų12542.4 Ų42.465%0.65420%0.201SC*.Hα-helixtrans-61.9-43.4175.6-17662000111.5W400 M401 T406 F407 Y408W400-L404 PolarHBondContact O-N 2.9Å; M401-L404 WeakPolarHBondContact O-CB 3.46Å; M401-L404 PolarHBondContact O-N 3.37Å; M401-L404 VanDerWaalsContact O-N 3.16Å; L404-T406 VanDerWaalsContact C-N 3.33Å; L404-T406 PolarHBondContact O-N 3.19Å; L404-F407 PolarHBondContact O-N 3.48Å; L404-Y408 PolarHBondContact O-N 3.29Å
405C86Confident85.4Confident14 Ų1440 Ų4010%0.09519%0.19CC..Hα-helixtrans-60.6-37.9174.1-64.90000112.8M401 I402 Y408 I409 V435 F439M401-C405 PolarHBondContact O-N 3.44Å; M401-C405 PolarHBondContact O-SG 2.83Å; I402-C405 PolarHBondContact O-N 3.23Å; C405-Y408 PolarHBondContact O-N 3.09Å; C405-I409 WeakPolarHBondContact O-CD1 3.32Å; C405-I409 WeakPolarHBondContact O-CG1 3.45Å; C405-I409 PolarHBondContact O-N 2.89Å; C405-V435 HydrophobicContact CB-CG1 4.2Å; C405-F439 HydrophobicContact CB-CE2 3.84Å; C405-F439 HydrophobicContact CB-CZ 3.93Å
406T83.1Confident85.2Confident4 Ų441.1 Ų41.13%0.02520%0.196CC..Hα-helixtrans-66.9-35.3174.249.20000113.2I402 L403 L404 A410 F439 R516I402-T406 PolarHBondContact O-N 3.15Å; I402-T406 PolarHBondContact O-OG1 2.94Å; L403-T406 WeakPolarHBondContact CA-OG1 3.36Å; L403-T406 PolarHBondContact O-N 2.76Å; L403-T406 PolarHBondContact O-OG1 2.99Å; L404-T406 VanDerWaalsContact C-N 3.33Å; L404-T406 PolarHBondContact O-N 3.19Å; T406-A410 WeakPolarHBondContact O-CB 3.46Å; T406-A410 PolarHBondContact O-N 3.04Å; T406-F439 HydrophobicContact CG2-CE1 3.75Å; T406-F439 HydrophobicContact CG2-CZ 3.56Å; T406-R516 HydrophobicContact CG2-CB 3.89Å
407F83.5Confident84.9Confident27 Ų2741.1 Ų41.112%0.11820%0.203CC..Hα-helixtrans-69.6-41.1174.8-82.2-62.7000112.4L403 L404 I409 A410 I411 L520 L537 C540 M541 L544L403-F407 HydrophobicContact CD1-CD2 3.99Å; L403-F407 HydrophobicContact CD1-CE2 3.57Å; L403-F407 HydrophobicContact CD1-CZ 4.46Å; L403-F407 HydrophobicContact CG-CD2 4.15Å; L403-F407 HydrophobicContact CG-CE2 3.97Å; L403-F407 WeakPolarHBondContact O-CD2 3.48Å; L403-F407 PolarHBondContact O-N 2.95Å; L403-F407 VanDerWaalsContact O-N 3.1Å; L404-F407 PolarHBondContact O-N 3.48Å; F407-I409 VanDerWaalsContact C-N 3.33Å; F407-I409 PolarHBondContact O-N 2.93Å; F407-A410 PolarHBondContact O-N 3.49Å; F407-I411 PolarHBondContact O-N 2.99Å; F407-L520 HydrophobicContact CZ-CD1 4.37Å; F407-L537 HydrophobicContact CE2-CD2 4.09Å; F407-L537 HydrophobicContact CZ-CD2 3.98Å; F407-C540 HydrophobicContact CE1-CB 4.1Å; F407-C540 WeakPolarHBondContact CE1-SG 3.37Å; F407-C540 HydrophobicContact CZ-CB 4.15Å; F407-M541 HydrophobicContact CE1-CE 3.65Å; F407-M541 HydrophobicContact CZ-CE 3.75Å; F407-L544 HydrophobicContact CD1-CD1 4.12Å; F407-L544 HydrophobicContact CE1-CD1 4.16Å
408Y87.3Confident84.7Confident56 Ų5635.7 Ų35.722%0.2218%0.175CC..Hα-helixtrans-54.2-48.8173166.1-88.9000111.3L404 C405 A410 I411 M412 C431 D432 V435L404-Y408 PolarHBondContact O-N 3.29Å; C405-Y408 PolarHBondContact O-N 3.09Å; Y408-A410 PolarHBondContact O-N 2.72Å; Y408-I411 PolarHBondContact O-N 2.99Å; Y408-M412 HydrophobicContact CD2-CG 3.9Å; Y408-M412 HydrophobicContact CE1-CB 4.35Å; Y408-M412 HydrophobicContact CE1-CG 4.15Å; Y408-M412 HydrophobicContact CE2-CE 3.84Å; Y408-M412 HydrophobicContact CE2-CG 3.49Å; Y408-M412 VanDerWaalsContact CE2-CG 3.49Å; Y408-M412 HydrophobicContact CG-CG 4.39Å; Y408-M412 WeakPolarHBondContact O-CB 3.42Å; Y408-M412 PolarHBondContact O-N 2.65Å; Y408-C431 VanDerWaalsContact OH-CB 3.32Å; Y408-C431 WeakPolarHBondContact OH-CB 3.45Å; Y408-D432 VanDerWaalsContact CE1-OD1 3.28Å; Y408-D432 WeakPolarHBondContact CE1-OD1 3.3Å; Y408-D432 PolarHBondContact OH-OD1 3.17Å; Y408-V435 HydrophobicContact CD1-CG1 4.32Å; Y408-V435 HydrophobicContact CD1-CG2 3.93Å; Y408-V435 HydrophobicContact CE1-CG2 4.02Å
409I84.4Confident84.3Confident7 Ų734.4 Ų34.44%0.03617%0.171CC..Hα-helixtrans-61.7-44.8177.9-68.6165.6000111.8C405 F407 I411 M412 V413 V435 F439 R513C405-I409 WeakPolarHBondContact O-CD1 3.32Å; C405-I409 WeakPolarHBondContact O-CG1 3.45Å; C405-I409 PolarHBondContact O-N 2.89Å; F407-I409 VanDerWaalsContact C-N 3.33Å; F407-I409 PolarHBondContact O-N 2.93Å; I409-I411 PolarHBondContact O-N 3Å; I409-I411 VanDerWaalsContact O-N 3.13Å; I409-M412 PolarHBondContact O-N 3.48Å; I409-V413 HydrophobicContact CG2-CG2 3.82Å; I409-V413 WeakPolarHBondContact O-CB 3.32Å; I409-V413 PolarHBondContact O-N 3.37Å; I409-V435 HydrophobicContact CD1-CG1 3.67Å; I409-V435 HydrophobicContact CG1-CG1 3.87Å; I409-F439 HydrophobicContact CD1-CD2 4.17Å; I409-F439 HydrophobicContact CD1-CE2 3.38Å; I409-F439 HydrophobicContact CD1-CZ 3.91Å; I409-R513 HydrophobicContact CG2-CB 3.75Å
410A84.9Confident83.8Confident2 Ų236.4 Ų36.42%0.01719%0.185CC..Hα-helixtrans-64.8-16.6-17700000113.3T406 F407 Y408 L514 L544 W548T406-A410 WeakPolarHBondContact O-CB 3.46Å; T406-A410 PolarHBondContact O-N 3.04Å; F407-A410 PolarHBondContact O-N 3.49Å; Y408-A410 PolarHBondContact O-N 2.72Å; A410-L514 HydrophobicContact CB-CD2 4.29Å; A410-L544 HydrophobicContact CB-CD1 3.67Å; A410-L544 HydrophobicContact CB-CG 4.36Å; A410-W548 HydrophobicContact CB-CZ2 4.4Å; A410-W548 PolarHBondContact O-NE1 2.96Å
411I88.1Confident82.7Confident76 Ų7634.2 Ų34.239%0.3918%0.18SC..Hα-helixtrans-97-53.5171.9-61.4167.5000110.2F407 Y408 I409 V413 P414 Y415 H547F407-I411 PolarHBondContact O-N 2.99Å; Y408-I411 PolarHBondContact O-N 2.99Å; I409-I411 PolarHBondContact O-N 3Å; I409-I411 VanDerWaalsContact O-N 3.13Å; I411-V413 PolarHBondContact O-N 2.91Å; I411-P414 WeakPolarHBondContact O-CD 3.42Å; I411-Y415 VanDerWaalsContact O-CB 3.27Å; I411-Y415 WeakPolarHBondContact O-CB 3.47Å; I411-Y415 PolarHBondContact O-N 3.12Å; I411-H547 PolarHBondContact O-NE2 3.04Å
412M85Confident81.1Confident50 Ų5034.5 Ų34.525%0.24620%0.2CC..Hα-helixtrans-68.7-32.8-172.3-68.2-55.4-146.600114.1Y408 I409 N416 L428Y408-M412 HydrophobicContact CD2-CG 3.9Å; Y408-M412 HydrophobicContact CE1-CB 4.35Å; Y408-M412 HydrophobicContact CE1-CG 4.15Å; Y408-M412 HydrophobicContact CE2-CE 3.84Å; Y408-M412 HydrophobicContact CE2-CG 3.49Å; Y408-M412 VanDerWaalsContact CE2-CG 3.49Å; Y408-M412 HydrophobicContact CG-CG 4.39Å; Y408-M412 WeakPolarHBondContact O-CB 3.42Å; Y408-M412 PolarHBondContact O-N 2.65Å; I409-M412 PolarHBondContact O-N 3.48Å; M412-N416 VanDerWaalsContact O-CB 3.24Å; M412-N416 WeakPolarHBondContact O-CB 3.41Å; M412-N416 PolarHBondContact O-N 3.2Å; M412-N416 PolarHBondContact O-ND2 3.37Å; M412-L428 HydrophobicContact CE-CD2 3.86Å
413V81.6Confident79.7Confident3 Ų337.1 Ų37.12%0.01823%0.227CC..Hα-helixtrans-67.8-52.1-178.5167.60000112.3I409 I411 Y415 A417 K510 L511 R513I409-V413 HydrophobicContact CG2-CG2 3.82Å; I409-V413 WeakPolarHBondContact O-CB 3.32Å; I409-V413 PolarHBondContact O-N 3.37Å; I411-V413 PolarHBondContact O-N 2.91Å; V413-Y415 VanDerWaalsContact C-N 3.33Å; V413-Y415 PolarHBondContact O-N 2.77Å; V413-A417 VanDerWaalsContact O-CB 3.29Å; V413-A417 WeakPolarHBondContact O-CB 3.47Å; V413-A417 PolarHBondContact O-N 2.72Å; V413-K510 HydrophobicContact CG1-CB 3.84Å; V413-K510 WeakPolarHBondContact CG1-O 3.42Å; V413-L511 HydrophobicContact CG1-CD2 4.21Å; V413-R513 HydrophobicContact CG2-CB 4.42Å
414P85.8Confident78.6Confident12 Ų1241.1 Ų41.18%0.07825%0.249CC..Hα-helixtrans-61.8-39.3173.5-24.335.6000112.9I411 A417 A418 C551I411-P414 WeakPolarHBondContact O-CD 3.42Å; P414-A417 PolarHBondContact O-N 2.78Å; P414-A418 WeakPolarHBondContact O-CB 3.48Å; P414-A418 PolarHBondContact O-N 3.06Å; P414-C551 HydrophobicContact CB-CB 4.12Å
415Y87.4Confident77.5Confident61 Ų6139.7 Ų39.724%0.23924%0.238CC..Hα-helixtrans-59.5-53177.3-177.1-105.4000112I411 V413 A417 A418 F419 Y600I411-Y415 VanDerWaalsContact O-CB 3.27Å; I411-Y415 WeakPolarHBondContact O-CB 3.47Å; I411-Y415 PolarHBondContact O-N 3.12Å; V413-Y415 VanDerWaalsContact C-N 3.33Å; V413-Y415 PolarHBondContact O-N 2.77Å; Y415-A417 PolarHBondContact O-N 3.2Å; Y415-A418 PolarHBondContact O-N 3.22Å; Y415-F419 HydrophobicContact CD2-CB 4.5Å; Y415-F419 AromaticContact CD2-CD2 3.66Å; Y415-F419 HydrophobicContact CD2-CD2 3.66Å; Y415-F419 HydrophobicContact CD2-CE2 4.26Å; Y415-F419 HydrophobicContact CD2-CG 4.3Å; Y415-F419 HydrophobicContact CE2-CB 4.18Å; Y415-F419 AromaticContact CE2-CD2 3.83Å; Y415-F419 HydrophobicContact CE2-CD2 3.83Å; Y415-F419 HydrophobicContact CE2-CE2 4.48Å; Y415-F419 HydrophobicContact CE2-CG 4.05Å; Y415-F419 HydrophobicContact CG-CD2 4.47Å; Y415-F419 WeakPolarHBondContact O-CB 3.31Å; Y415-F419 PolarHBondContact O-N 3.49Å; Y415-Y600 AromaticContact CD2-CD2 3.86Å; Y415-Y600 HydrophobicContact CD2-CD2 3.86Å; Y415-Y600 AromaticContact CD2-CE2 3.94Å; Y415-Y600 HydrophobicContact CD2-CE2 3.94Å; Y415-Y600 AromaticContact CE2-CD2 3.75Å; Y415-Y600 HydrophobicContact CE2-CD2 3.75Å; Y415-Y600 HydrophobicContact CE2-CE2 4.2Å; Y415-Y600 AromaticContact CE2-CG 3.97Å; Y415-Y600 HydrophobicContact CE2-CG 3.97Å
416N81.3Confident76.5Confident35 Ų3547.1 Ų47.119%0.18727%0.269CS..Hα-helixtrans-64.9-39.5-179.3-68.5-13.6000111.4M412 A418 S420M412-N416 VanDerWaalsContact O-CB 3.24Å; M412-N416 WeakPolarHBondContact O-CB 3.41Å; M412-N416 PolarHBondContact O-N 3.2Å; M412-N416 PolarHBondContact O-ND2 3.37Å; N416-A418 PolarHBondContact O-N 3.49Å; N416-S420 WeakPolarHBondContact O-CB 3.34Å; N416-S420 PolarHBondContact O-N 3.39Å
417A78.6Confident75.8Confident46 Ų4652.9 Ų52.938%0.3830%0.3SS..Hα-helixtrans-65.1-35.6178.100000113.3V413 P414 Y415V413-A417 VanDerWaalsContact O-CB 3.29Å; V413-A417 WeakPolarHBondContact O-CB 3.47Å; V413-A417 PolarHBondContact O-N 2.72Å; P414-A417 PolarHBondContact O-N 2.78Å; Y415-A417 PolarHBondContact O-N 3.2Å
418A83.8Confident75.4Confident3 Ų354.3 Ų54.33%0.02531%0.308CS..Hα-helixtrans-84-46.817900000112.7P414 Y415 N416 C551 Y554 K558P414-A418 WeakPolarHBondContact O-CB 3.48Å; P414-A418 PolarHBondContact O-N 3.06Å; Y415-A418 PolarHBondContact O-N 3.22Å; N416-A418 PolarHBondContact O-N 3.49Å; A418-C551 HydrophobicContact CB-CB 3.86Å; A418-Y554 HydrophobicContact CB-CD1 4.26Å; A418-Y554 WeakPolarHBondContact O-CE1 3.5Å; A418-K558 PolarHBondContact O-NZ 3.31Å
419F82.8Confident74.7Confident4 Ų455.7 Ų55.72%0.01832%0.319CS..Hα-helixtrans-104.1-3.6-165.7-65.2-85.5000115.6Y415 Q421 Y554 L599 Y600Y415-F419 HydrophobicContact CD2-CB 4.5Å; Y415-F419 AromaticContact CD2-CD2 3.66Å; Y415-F419 HydrophobicContact CD2-CD2 3.66Å; Y415-F419 HydrophobicContact CD2-CE2 4.26Å; Y415-F419 HydrophobicContact CD2-CG 4.3Å; Y415-F419 HydrophobicContact CE2-CB 4.18Å; Y415-F419 AromaticContact CE2-CD2 3.83Å; Y415-F419 HydrophobicContact CE2-CD2 3.83Å; Y415-F419 HydrophobicContact CE2-CE2 4.48Å; Y415-F419 HydrophobicContact CE2-CG 4.05Å; Y415-F419 HydrophobicContact CG-CD2 4.47Å; Y415-F419 WeakPolarHBondContact O-CB 3.31Å; Y415-F419 PolarHBondContact O-N 3.49Å; F419-Q421 PolarHBondContact O-N 3.48Å; F419-Y554 AromaticContact CD1-CD1 3.62Å; F419-Y554 HydrophobicContact CD1-CD1 3.62Å; F419-Y554 AromaticContact CD1-CE1 3.68Å; F419-Y554 HydrophobicContact CD1-CE1 3.68Å; F419-Y554 HydrophobicContact CD1-CG 4.07Å; F419-Y554 HydrophobicContact CD2-CD1 4.42Å; F419-Y554 AromaticContact CE1-CD1 3.43Å; F419-Y554 HydrophobicContact CE1-CD1 3.43Å; F419-Y554 VanDerWaalsContact CE1-CD1 3.43Å; F419-Y554 AromaticContact CE1-CD2 3.78Å; F419-Y554 HydrophobicContact CE1-CD2 3.78Å; F419-Y554 AromaticContact CE1-CE1 3.86Å; F419-Y554 HydrophobicContact CE1-CE1 3.86Å; F419-Y554 HydrophobicContact CE1-CE2 4.2Å; F419-Y554 AromaticContact CE1-CG 3.38Å; F419-Y554 HydrophobicContact CE1-CG 3.38Å; F419-Y554 HydrophobicContact CE2-CD1 4.26Å; F419-Y554 HydrophobicContact CE2-CG 4.41Å; F419-Y554 HydrophobicContact CG-CD1 4.12Å; F419-Y554 HydrophobicContact CG-CE1 4.3Å; F419-Y554 AromaticContact CZ-CD1 3.77Å; F419-Y554 HydrophobicContact CZ-CD1 3.77Å; F419-Y554 HydrophobicContact CZ-CD2 4.3Å; F419-Y554 AromaticContact CZ-CG 3.58Å; F419-Y554 HydrophobicContact CZ-CG 3.58Å; F419-L599 HydrophobicContact CE1-CB 4.28Å; F419-Y600 HydrophobicContact CD2-CD2 4.34Å; F419-Y600 AromaticContact CE2-CD2 3.7Å; F419-Y600 HydrophobicContact CE2-CD2 3.7Å; F419-Y600 HydrophobicContact CE2-CE2 4.48Å; F419-Y600 AromaticContact CZ-CD2 3.84Å; F419-Y600 HydrophobicContact CZ-CD2 3.84Å; F419-Y600 HydrophobicContact CZ-CG 4.48Å
420S71.6Confident74.7Confident44 Ų4459.9 Ų59.931%0.30834%0.34SS..  trans-63.2136.7175-171.10000111.7N416 E425N416-S420 WeakPolarHBondContact O-CB 3.34Å; N416-S420 PolarHBondContact O-N 3.39Å; S420-E425 PolarHBondContact OG-OE1 2.96Å
421Q61.5Low74.6Confident72 Ų7262.6 Ų62.634%0.33636%0.359SS..  trans-142.855.6174.6-63.5-1712200109.5F419 G423 Y554 T591F419-Q421 PolarHBondContact O-N 3.48Å; Q421-G423 VanDerWaalsContact C-N 3.34Å; Q421-G423 PolarHBondContact O-N 3.09Å; Q421-Y554 PolarHBondContact NE2-OH 3.33Å; Q421-T591 PolarHBondContact OE1-OG1 2.99Å
422G55Low74.2Confident73 Ų7360 Ų6075%0.75335%0.345SS*.SBendtrans64.215.615500000119.3
423G56.4Low74.1Confident56 Ų5661.9 Ų61.958%0.57736%0.356SS*.SBendtrans-116.4-60.3-176.800000115Q421 E425Q421-G423 VanDerWaalsContact C-N 3.34Å; Q421-G423 PolarHBondContact O-N 3.09Å; G423-E425 PolarHBondContact O-N 2.67Å
424D56.7Low74.4Confident94 Ų9466.3 Ų66.350%0.50338%0.378SS..SBendtrans-97.415.7-159.9-46.8-26.9000114.6K426 R596D424-K426 VanDerWaalsContact C-N 3.25Å; D424-K426 PolarHBondContact O-N 3.24Å; D424-K426 VanDerWaalsContact O-N 3.13Å; D424-R596 IonicContact OD2-CZ 2.68Å; D424-R596 IonicContact OD2-NH1 3.74Å; D424-R596 PolarHBondContact OD2-NH1 2.97Å; D424-R596 IonicContact OD2-NH2 2.79Å; D424-R596 PolarHBondContact OD2-NH2 3.17Å
425E62.6Low74.4Confident94 Ų9466.5 Ų66.544%0.43938%0.379SS..Hα-helixtrans-68.3-21.7-160.6-55.2-165.7138.300114.3S420 G423 D427 L428 I429S420-E425 PolarHBondContact OG-OE1 2.96Å; G423-E425 PolarHBondContact O-N 2.67Å; E425-D427 PolarHBondContact O-N 3.29Å; E425-L428 PolarHBondContact O-N 2.66Å; E425-I429 HydrophobicContact CB-CD1 3.99Å; E425-I429 WeakPolarHBondContact O-CD1 3.48Å; E425-I429 WeakPolarHBondContact O-CG1 3.42Å; E425-I429 PolarHBondContact O-N 3.11Å
426K65Low74.3Confident171 Ų17164.2 Ų64.274%0.74337%0.371SS*.Hα-helixtrans-58.2-47.4-170.7-66-179.9-179.9176.10113.9D424 I429 I430D424-K426 VanDerWaalsContact C-N 3.25Å; D424-K426 PolarHBondContact O-N 3.24Å; D424-K426 VanDerWaalsContact O-N 3.13Å; K426-I429 PolarHBondContact O-N 3.23Å; K426-I430 PolarHBondContact O-N 3.1Å
427D69Low74.6Confident125 Ų12567.3 Ų67.367%0.66839%0.386SS*.Hα-helixtrans-73.1-35.4-174.7-65.5-6.7000111.7E425 I430E425-D427 PolarHBondContact O-N 3.29Å; D427-I430 PolarHBondContact O-N 3.3Å
428L73.9Confident75.1Confident56 Ų5666.9 Ų66.929%0.29338%0.378SS..Hα-helixtrans-69.1-36.9176.7-67.8169.4000111.7M412 E425 I430 C431 D432M412-L428 HydrophobicContact CE-CD2 3.86Å; E425-L428 PolarHBondContact O-N 2.66Å; L428-I430 VanDerWaalsContact C-N 3.3Å; L428-I430 PolarHBondContact O-N 2.81Å; L428-C431 PolarHBondContact O-N 3.45Å; L428-D432 PolarHBondContact O-N 3.29Å
429I74.1Confident75.3Confident85 Ų8566.8 Ų66.844%0.43638%0.376SS..Hα-helixtrans-59.7-39176.1-73.4163.9000111.5E425 K426 D432 I433E425-I429 HydrophobicContact CB-CD1 3.99Å; E425-I429 WeakPolarHBondContact O-CD1 3.48Å; E425-I429 WeakPolarHBondContact O-CG1 3.42Å; E425-I429 PolarHBondContact O-N 3.11Å; K426-I429 PolarHBondContact O-N 3.23Å; I429-D432 PolarHBondContact O-N 3.43Å; I429-I433 HydrophobicContact CG2-CD1 3.64Å; I429-I433 HydrophobicContact CG2-CG1 4.33Å; I429-I433 WeakPolarHBondContact O-CB 3.35Å; I429-I433 VanDerWaalsContact O-CG1 3.26Å; I429-I433 WeakPolarHBondContact O-CG1 3.41Å; I429-I433 PolarHBondContact O-N 3.39Å
430I83.1Confident75.6Confident96 Ų9670.1 Ų70.149%0.49239%0.394SS..Hα-helixtrans-62.3-46.4178.1-62.9169000110.8K426 D427 L428 I433 I434K426-I430 PolarHBondContact O-N 3.1Å; D427-I430 PolarHBondContact O-N 3.3Å; L428-I430 VanDerWaalsContact C-N 3.3Å; L428-I430 PolarHBondContact O-N 2.81Å; I430-I433 PolarHBondContact O-N 3.28Å; I430-I434 HydrophobicContact CG2-CD1 3.99Å; I430-I434 WeakPolarHBondContact O-CG1 3.39Å; I430-I434 PolarHBondContact O-N 3.35Å
431C83Confident76.5Confident59 Ų5970.8 Ų70.840%0.39939%0.393SS..Hα-helixtrans-62.8-44177.2-710000112.1Y408 L428 I433 I434 V435Y408-C431 VanDerWaalsContact OH-CB 3.32Å; Y408-C431 WeakPolarHBondContact OH-CB 3.45Å; L428-C431 PolarHBondContact O-N 3.45Å; C431-I433 PolarHBondContact O-N 3.04Å; C431-I434 PolarHBondContact O-N 3.07Å; C431-V435 WeakPolarHBondContact O-CB 3.42Å; C431-V435 VanDerWaalsContact O-CG2 3.25Å; C431-V435 WeakPolarHBondContact O-CG2 2.87Å; C431-V435 PolarHBondContact O-N 3.03Å
432D80.5Confident77.9Confident20 Ų2067.4 Ų67.411%0.10738%0.378CS..Hα-helixtrans-62.5-41.8177.4-86.827.9000111.8Y408 L428 I429 V435 E436 R513Y408-D432 VanDerWaalsContact CE1-OD1 3.28Å; Y408-D432 WeakPolarHBondContact CE1-OD1 3.3Å; Y408-D432 PolarHBondContact OH-OD1 3.17Å; L428-D432 PolarHBondContact O-N 3.29Å; I429-D432 PolarHBondContact O-N 3.43Å; D432-V435 PolarHBondContact O-N 3.21Å; D432-E436 WeakPolarHBondContact O-CG 3.21Å; D432-E436 PolarHBondContact O-N 3.3Å; D432-R513 IonicContact OD2-NH1 3.82Å; D432-R513 PolarHBondContact OD2-NH1 2.85Å; D432-R513 VanDerWaalsContact OD2-NH1 3.14Å
433I82.6Confident79.5Confident91 Ų9164.9 Ų64.947%0.46735%0.347SS..Hα-helixtrans-63-46176.2-70.7166.8000111.8I429 I430 C431 V435 E436 L437I429-I433 HydrophobicContact CG2-CD1 3.64Å; I429-I433 HydrophobicContact CG2-CG1 4.33Å; I429-I433 WeakPolarHBondContact O-CB 3.35Å; I429-I433 VanDerWaalsContact O-CG1 3.26Å; I429-I433 WeakPolarHBondContact O-CG1 3.41Å; I429-I433 PolarHBondContact O-N 3.39Å; I430-I433 PolarHBondContact O-N 3.28Å; C431-I433 PolarHBondContact O-N 3.04Å; I433-V435 VanDerWaalsContact C-N 3.26Å; I433-V435 PolarHBondContact O-N 3.19Å; I433-E436 PolarHBondContact O-N 3.08Å; I433-L437 PolarHBondContact O-N 3.03Å
434I88.1Confident81.2Confident95 Ų9566.1 Ų66.149%0.48734%0.339SS..Hα-helixtrans-58.8-43.8176.3-69.7166.6000110I430 C431 L437 L438I430-I434 HydrophobicContact CG2-CD1 3.99Å; I430-I434 WeakPolarHBondContact O-CG1 3.39Å; I430-I434 PolarHBondContact O-N 3.35Å; C431-I434 PolarHBondContact O-N 3.07Å; I434-L437 PolarHBondContact O-N 2.72Å; I434-L438 WeakPolarHBondContact O-CG 3.44Å; I434-L438 PolarHBondContact O-N 3.09Å
435V86.4Confident82.8Confident16 Ų1662.8 Ų62.810%0.09732%0.321CS..Hα-helixtrans-66.3-42.9179.4168.80000111.2C405 Y408 I409 C431 D432 I433 L437 L438 F439C405-V435 HydrophobicContact CB-CG1 4.2Å; Y408-V435 HydrophobicContact CD1-CG1 4.32Å; Y408-V435 HydrophobicContact CD1-CG2 3.93Å; Y408-V435 HydrophobicContact CE1-CG2 4.02Å; I409-V435 HydrophobicContact CD1-CG1 3.67Å; I409-V435 HydrophobicContact CG1-CG1 3.87Å; C431-V435 WeakPolarHBondContact O-CB 3.42Å; C431-V435 VanDerWaalsContact O-CG2 3.25Å; C431-V435 WeakPolarHBondContact O-CG2 2.87Å; C431-V435 PolarHBondContact O-N 3.03Å; D432-V435 PolarHBondContact O-N 3.21Å; I433-V435 VanDerWaalsContact C-N 3.26Å; I433-V435 PolarHBondContact O-N 3.19Å; V435-L437 PolarHBondContact O-N 3.4Å; V435-L438 WeakPolarHBondContact O-CB 3.24Å; V435-L438 PolarHBondContact O-N 3.34Å; V435-F439 HydrophobicContact CG1-CD2 4.14Å; V435-F439 HydrophobicContact CG1-CE2 3.73Å; V435-F439 WeakPolarHBondContact O-CD2 3.45Å; V435-F439 PolarHBondContact O-N 3.07Å
436E83.6Confident84.1Confident14 Ų1459.4 Ų59.47%0.06531%0.306CS..Hα-helixtrans-61.8-40.9175-72.7-169.6147.400112.7D432 I433 L438 F439 I440 P483 R513 R516D432-E436 WeakPolarHBondContact O-CG 3.21Å; D432-E436 PolarHBondContact O-N 3.3Å; I433-E436 PolarHBondContact O-N 3.08Å; E436-L438 VanDerWaalsContact C-N 3.29Å; E436-L438 PolarHBondContact O-N 3.45Å; E436-F439 PolarHBondContact O-N 2.85Å; E436-I440 PolarHBondContact O-N 3.45Å; E436-I440 VanDerWaalsContact O-N 3.09Å; E436-P483 WeakPolarHBondContact OE2-CB 3.29Å; E436-R513 IonicContact OE1-CZ 2.66Å; E436-R513 IonicContact OE1-NE 2.64Å; E436-R513 PolarHBondContact OE1-NE 3.41Å; E436-R513 IonicContact OE1-NH2 2.68Å; E436-R513 PolarHBondContact OE1-NH2 2.8Å; E436-R513 IonicContact OE2-NH2 2.64Å; E436-R516 IonicContact OE1-NH2 3.7Å; E436-R516 PolarHBondContact OE1-NH2 2.81Å
437L88.2Confident85.3Confident99 Ų9953.6 Ų53.652%0.51828%0.281SS..Hα-helixtrans-57.6-40.1173.7-177.164.2000112.2I433 I434 V435 F439 I440 I441I433-L437 PolarHBondContact O-N 3.03Å; I434-L437 PolarHBondContact O-N 2.72Å; V435-L437 PolarHBondContact O-N 3.4Å; L437-F439 VanDerWaalsContact C-N 3.33Å; L437-F439 PolarHBondContact O-N 2.94Å; L437-I440 PolarHBondContact O-N 3.38Å; L437-I441 HydrophobicContact CD1-CD1 4.49Å; L437-I441 HydrophobicContact CG-CD1 4.09Å; L437-I441 WeakPolarHBondContact O-CG1 3.49Å; L437-I441 PolarHBondContact O-N 2.67Å
438L90.2Very high86.3Confident38 Ų3852.9 Ų52.920%0.19927%0.269CS..Hα-helixtrans-64.3-33.3176-67.8175.4000113W398 M401 I402 I434 V435 E436 I441 D442W398-L438 HydrophobicContact CH2-CD2 4.01Å; M401-L438 HydrophobicContact CE-CD1 4.19Å; M401-L438 HydrophobicContact CE-CD2 3.8Å; M401-L438 HydrophobicContact CE-CG 4.49Å; I402-L438 HydrophobicContact CD1-CB 4.32Å; I434-L438 WeakPolarHBondContact O-CG 3.44Å; I434-L438 PolarHBondContact O-N 3.09Å; V435-L438 WeakPolarHBondContact O-CB 3.24Å; V435-L438 PolarHBondContact O-N 3.34Å; E436-L438 VanDerWaalsContact C-N 3.29Å; E436-L438 PolarHBondContact O-N 3.45Å; L438-I441 PolarHBondContact O-N 3.38Å; L438-D442 PolarHBondContact O-N 3.32Å
439F87Confident87Confident0 Ų051.1 Ų51.10%026%0.261CS..Hα-helixtrans-73.1-34174.4-75.8-78.5000112.9I402 C405 T406 I409 V435 E436 L437 D442 I443 R516I402-F439 HydrophobicContact CG2-CD1 4.48Å; I402-F439 HydrophobicContact CG2-CE1 3.79Å; I402-F439 HydrophobicContact CG2-CZ 4.34Å; C405-F439 HydrophobicContact CB-CE2 3.84Å; C405-F439 HydrophobicContact CB-CZ 3.93Å; T406-F439 HydrophobicContact CG2-CE1 3.75Å; T406-F439 HydrophobicContact CG2-CZ 3.56Å; I409-F439 HydrophobicContact CD1-CD2 4.17Å; I409-F439 HydrophobicContact CD1-CE2 3.38Å; I409-F439 HydrophobicContact CD1-CZ 3.91Å; V435-F439 HydrophobicContact CG1-CD2 4.14Å; V435-F439 HydrophobicContact CG1-CE2 3.73Å; V435-F439 WeakPolarHBondContact O-CD2 3.45Å; V435-F439 PolarHBondContact O-N 3.07Å; E436-F439 PolarHBondContact O-N 2.85Å; L437-F439 VanDerWaalsContact C-N 3.33Å; L437-F439 PolarHBondContact O-N 2.94Å; F439-D442 PolarHBondContact O-N 3.2Å; F439-I443 WeakPolarHBondContact O-CG1 3.45Å; F439-I443 PolarHBondContact O-N 2.95Å; F439-I443 VanDerWaalsContact O-N 3.14Å; F439-R516 HydrophobicContact CE1-CB 4.43Å; F439-R516 HydrophobicContact CE1-CG 4.31Å
440I88.4Confident87.8Confident74 Ų7447.2 Ų47.238%0.37924%0.241SC..Hα-helixtrans-64.1-43.1172-64.3168.1000110E436 L437 I443 I444 A481E436-I440 PolarHBondContact O-N 3.45Å; E436-I440 VanDerWaalsContact O-N 3.09Å; L437-I440 PolarHBondContact O-N 3.38Å; I440-I443 PolarHBondContact O-N 2.97Å; I440-I444 PolarHBondContact O-N 3.35Å; I440-A481 HydrophobicContact CG1-CB 4.5Å
441I91.4Very high87.9Confident58 Ų5845.7 Ų45.730%0.29723%0.229SC..Hα-helixtrans-65.1-38.5174.9-63.4164000111.3W398 L437 L438 I443 I444 L445W398-I441 HydrophobicContact CH2-CB 4.11Å; W398-I441 HydrophobicContact CH2-CG2 3.49Å; W398-I441 VanDerWaalsContact CH2-CG2 3.49Å; W398-I441 HydrophobicContact CZ2-CB 4.08Å; W398-I441 HydrophobicContact CZ2-CG2 3.64Å; W398-I441 HydrophobicContact CZ3-CG2 4.5Å; L437-I441 HydrophobicContact CD1-CD1 4.49Å; L437-I441 HydrophobicContact CG-CD1 4.09Å; L437-I441 WeakPolarHBondContact O-CG1 3.49Å; L437-I441 PolarHBondContact O-N 2.67Å; L438-I441 PolarHBondContact O-N 3.38Å; I441-I443 VanDerWaalsContact C-N 3.33Å; I441-I443 PolarHBondContact O-N 3.3Å; I441-I444 PolarHBondContact O-N 2.84Å; I441-L445 HydrophobicContact CG2-CD1 3.89Å; I441-L445 HydrophobicContact CG2-CG 4.19Å; I441-L445 WeakPolarHBondContact O-CB 3.24Å; I441-L445 WeakPolarHBondContact O-CG 3.43Å; I441-L445 PolarHBondContact O-N 3.14Å
442D90Very high87.9Confident2 Ų245.3 Ų45.31%0.01123%0.225CC..Hα-helixtrans-61.4-38.7175.8-167.260.6000112.3K395 W398 I402 L438 F439 L445 N446 R519K395-D442 IonicContact NZ-OD1 2.78Å; K395-D442 PolarHBondContact NZ-OD1 3.09Å; W398-D442 VanDerWaalsContact CD1-OD1 3.32Å; W398-D442 PolarHBondContact NE1-OD1 2.86Å; I402-D442 HydrophobicContact CD1-CB 3.94Å; I402-D442 HydrophobicContact CG1-CB 4.28Å; L438-D442 PolarHBondContact O-N 3.32Å; F439-D442 PolarHBondContact O-N 3.2Å; D442-L445 PolarHBondContact O-N 3.01Å; D442-N446 WeakPolarHBondContact O-CB 3.4Å; D442-N446 PolarHBondContact O-N 2.88Å; D442-N446 PolarHBondContact O-ND2 2.65Å; D442-N446 PolarHBondContact OD2-ND2 2.94Å; D442-N446 VanDerWaalsContact OD2-ND2 3.15Å; D442-R519 IonicContact OD2-CZ 3.14Å; D442-R519 IonicContact OD2-NH1 3.36Å; D442-R519 PolarHBondContact OD2-NH1 3.4Å
443I90.1Very high87.8Confident19 Ų1946.1 Ų46.110%0.09723%0.232CC..Hα-helixtrans-59.8-48.7173.9-68.6159.7000110.7F439 I440 I441 L445 N446 F447 Y469 F474 D477 A481F439-I443 WeakPolarHBondContact O-CG1 3.45Å; F439-I443 PolarHBondContact O-N 2.95Å; F439-I443 VanDerWaalsContact O-N 3.14Å; I440-I443 PolarHBondContact O-N 2.97Å; I441-I443 VanDerWaalsContact C-N 3.33Å; I441-I443 PolarHBondContact O-N 3.3Å; I443-L445 PolarHBondContact O-N 3.27Å; I443-N446 PolarHBondContact O-N 3.37Å; I443-F447 HydrophobicContact CG2-CD2 4.19Å; I443-F447 HydrophobicContact CG2-CE2 3.9Å; I443-F447 VanDerWaalsContact O-CD2 3.26Å; I443-F447 WeakPolarHBondContact O-CD2 3.48Å; I443-F447 PolarHBondContact O-N 3.39Å; I443-Y469 HydrophobicContact CG2-CE1 4.35Å; I443-F474 HydrophobicContact CG2-CD2 4.37Å; I443-F474 HydrophobicContact CG2-CE2 4.13Å; I443-D477 HydrophobicContact CG1-CB 4.2Å; I443-A481 HydrophobicContact CD1-CB 3.66Å
444I91.9Very high87.6Confident83 Ų8352.5 Ų52.543%0.42626%0.257SS..Hα-helixtrans-61.2-44.6178.8-62.7168000110.6I440 I441 N446 F447 W448I440-I444 PolarHBondContact O-N 3.35Å; I441-I444 PolarHBondContact O-N 2.84Å; I444-N446 PolarHBondContact O-N 2.92Å; I444-F447 PolarHBondContact O-N 3.39Å; I444-W448 HydrophobicContact CG2-CH2 4.41Å; I444-W448 HydrophobicContact CG2-CZ2 4.4Å
445L90.3Very high86.7Confident24 Ų2451.8 Ų51.813%0.12626%0.26CS..Hα-helixtrans-64.9-37.5177.3-71.6173.9000112.2L388 W398 I441 D442 I443 F447 W448 T449L388-L445 HydrophobicContact CD2-CD2 4.49Å; W398-L445 HydrophobicContact CD2-CD1 3.76Å; W398-L445 VanDerWaalsContact CE2-CD1 3.45Å; W398-L445 HydrophobicContact CE3-CD1 4.18Å; W398-L445 HydrophobicContact CG-CD1 4.32Å; W398-L445 HydrophobicContact CH2-CD1 4.11Å; W398-L445 HydrophobicContact CZ2-CD1 3.67Å; W398-L445 HydrophobicContact CZ3-CD1 4.33Å; I441-L445 HydrophobicContact CG2-CD1 3.89Å; I441-L445 HydrophobicContact CG2-CG 4.19Å; I441-L445 WeakPolarHBondContact O-CB 3.24Å; I441-L445 WeakPolarHBondContact O-CG 3.43Å; I441-L445 PolarHBondContact O-N 3.14Å; D442-L445 PolarHBondContact O-N 3.01Å; I443-L445 PolarHBondContact O-N 3.27Å; L445-F447 VanDerWaalsContact C-N 3.32Å; L445-F447 PolarHBondContact O-N 3.34Å; L445-W448 HydrophobicContact CD2-CE3 4.5Å; L445-W448 CarbonylContact O-C 3.58Å; L445-W448 WeakPolarHBondContact O-CA 3.43Å; L445-W448 PolarHBondContact O-N 3.23Å; L445-T449 WeakPolarHBondContact O-CG2 3.29Å; L445-T449 PolarHBondContact O-N 2.97Å
446N88.5Confident85.8Confident22 Ų2252.5 Ų52.512%0.11827%0.271CS..Hα-helixtrans-63.2-37.3178.2-70-29.1000111.5K395 D442 I443 I444 W448 T449 Y469K395-N446 PolarHBondContact NZ-OD1 3.38Å; D442-N446 WeakPolarHBondContact O-CB 3.4Å; D442-N446 PolarHBondContact O-N 2.88Å; D442-N446 PolarHBondContact O-ND2 2.65Å; D442-N446 PolarHBondContact OD2-ND2 2.94Å; D442-N446 VanDerWaalsContact OD2-ND2 3.15Å; I443-N446 PolarHBondContact O-N 3.37Å; I444-N446 PolarHBondContact O-N 2.92Å; N446-W448 PolarHBondContact O-N 3.24Å; N446-T449 WeakPolarHBondContact CA-OG1 3.36Å; N446-T449 PolarHBondContact O-N 2.95Å; N446-T449 VanDerWaalsContact O-N 3.11Å; N446-T449 PolarHBondContact O-OG1 3.49Å; N446-Y469 HydrophobicContact CB-CD1 4.31Å; N446-Y469 HydrophobicContact CB-CE1 3.73Å; N446-Y469 HydrophobicContact CB-CE2 4.17Å; N446-Y469 PolarHBondContact ND2-OH 2.89Å
447F91.2Very high85.2Confident49 Ų4956.1 Ų56.122%0.21529%0.288CS..Hα-helixtrans-62-22.5170.3-80.7-71.5000114.6I443 I444 L445 I465 A466 Y469 L470 F474I443-F447 HydrophobicContact CG2-CD2 4.19Å; I443-F447 HydrophobicContact CG2-CE2 3.9Å; I443-F447 VanDerWaalsContact O-CD2 3.26Å; I443-F447 WeakPolarHBondContact O-CD2 3.48Å; I443-F447 PolarHBondContact O-N 3.39Å; I444-F447 PolarHBondContact O-N 3.39Å; L445-F447 VanDerWaalsContact C-N 3.32Å; L445-F447 PolarHBondContact O-N 3.34Å; F447-I465 WeakPolarHBondContact O-CG2 2.99Å; F447-A466 HydrophobicContact CD1-CB 3.75Å; F447-A466 HydrophobicContact CE1-CB 3.93Å; F447-Y469 AromaticContact CD1-CD1 3.99Å; F447-Y469 HydrophobicContact CD1-CD1 3.99Å; F447-Y469 HydrophobicContact CD2-CD1 4.02Å; F447-Y469 AromaticContact CD2-CE1 3.99Å; F447-Y469 HydrophobicContact CD2-CE1 3.99Å; F447-Y469 AromaticContact CE1-CD1 3.86Å; F447-Y469 HydrophobicContact CE1-CD1 3.86Å; F447-Y469 AromaticContact CE2-CD1 3.89Å; F447-Y469 HydrophobicContact CE2-CD1 3.89Å; F447-Y469 AromaticContact CE2-CE1 3.86Å; F447-Y469 HydrophobicContact CE2-CE1 3.86Å; F447-Y469 HydrophobicContact CG-CD1 4.06Å; F447-Y469 HydrophobicContact CG-CE1 4.44Å; F447-Y469 AromaticContact CZ-CD1 3.8Å; F447-Y469 HydrophobicContact CZ-CD1 3.8Å; F447-Y469 HydrophobicContact CZ-CE1 4.19Å; F447-L470 HydrophobicContact CE1-CD1 4.47Å; F447-L470 HydrophobicContact CE1-CD2 4.24Å; F447-L470 HydrophobicContact CE1-CG 4.04Å; F447-L470 HydrophobicContact CZ-CD2 4.01Å; F447-L470 HydrophobicContact CZ-CG 4.3Å; F447-F474 AromaticContact CE2-CD2 3.77Å; F447-F474 HydrophobicContact CE2-CD2 3.77Å; F447-F474 AromaticContact CE2-CE2 3.71Å; F447-F474 HydrophobicContact CE2-CE2 3.71Å; F447-F474 AromaticContact CZ-CD2 3.62Å; F447-F474 HydrophobicContact CZ-CD2 3.62Å; F447-F474 AromaticContact CZ-CE2 3.73Å; F447-F474 HydrophobicContact CZ-CE2 3.73Å; F447-F474 HydrophobicContact CZ-CG 4.39Å
448W90.9Very high84.8Confident110 Ų11052.1 Ų52.142%0.41727%0.268SS..Hα-helixtrans-99.8-4175.3-64.7-12.2000113.5L388 I444 L445 N446L388-W448 PolarHBondContact N-O 3.35Å; I444-W448 HydrophobicContact CG2-CH2 4.41Å; I444-W448 HydrophobicContact CG2-CZ2 4.4Å; L445-W448 HydrophobicContact CD2-CE3 4.5Å; L445-W448 CarbonylContact O-C 3.58Å; L445-W448 WeakPolarHBondContact O-CA 3.43Å; L445-W448 PolarHBondContact O-N 3.23Å; N446-W448 PolarHBondContact O-N 3.24Å
449T88.6Confident84.3Confident20 Ų2051.6 Ų51.612%0.12327%0.266CS..BIsolated β-bridgetrans-85.2128.6-179.960.70000112.7L388 K395 L445 N446 I465L388-T449 HydrophobicContact CB-CG2 4.07Å; L388-T449 HydrophobicContact CD2-CG2 3.92Å; L388-T449 HydrophobicContact CG-CG2 4.08Å; L388-T449 VanDerWaalsContact O-CA 3.28Å; L388-T449 WeakPolarHBondContact O-CA 3.49Å; K395-T449 HydrophobicContact CD-CG2 4.08Å; K395-T449 HydrophobicContact CG-CG2 4.39Å; L445-T449 WeakPolarHBondContact O-CG2 3.29Å; L445-T449 PolarHBondContact O-N 2.97Å; N446-T449 WeakPolarHBondContact CA-OG1 3.36Å; N446-T449 PolarHBondContact O-N 2.95Å; N446-T449 VanDerWaalsContact O-N 3.11Å; N446-T449 PolarHBondContact O-OG1 3.49Å; T449-I465 WeakPolarHBondContact O-CG2 3.5Å
450T89Confident84.1Confident3 Ų353.7 Ų53.72%0.01827%0.274CS..  trans-60145.4170.257.50000111.1I387 L388 L389 H390 V458 Y460I387-T450 HydrophobicContact CG2-CG2 3.45Å; I387-T450 VanDerWaalsContact CG2-CG2 3.45Å; L388-T450 PolarHBondContact O-N 3.08Å; L388-T450 PolarHBondContact O-OG1 2.78Å; L389-T450 HydrophobicContact CD1-CG2 3.91Å; H390-T450 WeakPolarHBondContact CB-O 3.45Å; H390-T450 PolarHBondContact N-OG1 2.88Å; H390-T450 VanDerWaalsContact N-OG1 3.16Å; H390-T450 PolarHBondContact ND1-OG1 3.34Å; T450-V458 HydrophobicContact CG2-CG1 4.04Å; T450-Y460 HydrophobicContact CG2-CD1 3.97Å; T450-Y460 HydrophobicContact CG2-CE1 4.23Å
451Y85.7Confident83.9Confident63 Ų6357.2 Ų57.225%0.24729%0.289CS..EExtended strand (participates in β ladder)trans-117.7165.4165.773.1-79.1000111.1V459 I465 N468Y451-V459 HydrophobicContact CD1-CB 4.14Å; Y451-V459 HydrophobicContact CE1-CB 3.69Å; Y451-V459 HydrophobicContact CE1-CG1 3.81Å; Y451-V459 HydrophobicContact CE1-CG2 4.11Å; Y451-V459 HydrophobicContact CE2-CG2 4.19Å; Y451-V459 PolarHBondContact O-N 2.83Å; Y451-I465 HydrophobicContact CD1-CG1 4.06Å; Y451-I465 HydrophobicContact CE1-CG1 4.19Å; Y451-N468 HydrophobicContact CD1-CB 4.27Å; Y451-N468 HydrophobicContact CE1-CB 3.72Å; Y451-N468 HydrophobicContact CE2-CB 4.21Å; Y451-N468 WeakPolarHBondContact CE2-OD1 3.46Å
452V83.4Confident83.7Confident51 Ų5158.1 Ų58.131%0.30929%0.293SS..EExtended strand (participates in β ladder)trans-96.5125173-175.90000108.4H390H390-V452 WeakPolarHBondContact NE2-CG2 3.38Å
453S78.2Confident83.7Confident38 Ų3866.6 Ų66.627%0.26633%0.33SS..  trans-67.4162.7177.1-177.90000111.9S455 G456 Q457S453-S455 WeakPolarHBondContact CB-OG 3.36Å; S453-S455 PolarHBondContact O-N 3.06Å; S453-S455 VanDerWaalsContact O-N 3.14Å; S453-S455 PolarHBondContact OG-N 3.5Å; S453-S455 PolarHBondContact OG-OG 2.77Å; S453-S455 VanDerWaalsContact OG-OG 3.12Å; S453-G456 PolarHBondContact O-N 3.45Å; S453-Q457 PolarHBondContact N-O 3.48Å
454K77.9Confident83.6Confident224 Ų22467.2 Ų67.297%0.97434%0.339SS*.THydrogen-bonded Turntrans-53-31167.7-69.9-173.6177.5-176.80112.2G456K454-G456 PolarHBondContact O-N 2.88Å
455S70.2Confident83.5Confident81 Ų8163.5 Ų63.557%0.56632%0.319SS*.THydrogen-bonded Turntrans-75.44.3174.859.10000114.9S453 Q457S453-S455 WeakPolarHBondContact CB-OG 3.36Å; S453-S455 PolarHBondContact O-N 3.06Å; S453-S455 VanDerWaalsContact O-N 3.14Å; S453-S455 PolarHBondContact OG-N 3.5Å; S453-S455 PolarHBondContact OG-OG 2.77Å; S453-S455 VanDerWaalsContact OG-OG 3.12Å; S455-Q457 PolarHBondContact O-N 3.36Å
456G66.6Low83.6Confident31 Ų3163.4 Ų63.432%0.3232%0.322SS..SBendtrans75.3-1.7-179.400000115.4G6 L7 S453 K454G6-G456 CarbonylContact C-O 3.46Å; G6-G456 VanDerWaalsContact C-O 3.3Å; G6-G456 WeakPolarHBondContact CA-O 3.28Å; L7-G456 PolarHBondContact N-O 2.94Å; S453-G456 PolarHBondContact O-N 3.45Å; K454-G456 PolarHBondContact O-N 2.88Å
457Q70.8Confident83.7Confident89 Ų8967.8 Ų67.842%0.41634%0.344SS..BIsolated β-bridgetrans-84.3147.7177.9-66.7176.5-11.600112.2S453 S455S453-Q457 PolarHBondContact N-O 3.48Å; S455-Q457 PolarHBondContact O-N 3.36Å
458V79.9Confident83.6Confident16 Ų1669.3 Ų69.310%0.09736%0.355CS..EExtended strand (participates in β ladder)trans-82.4125.7174.4-174.50000110.4G6 T450 Y460G6-V458 WeakPolarHBondContact O-CG2 3.4Å; T450-V458 HydrophobicContact CG2-CG1 4.04Å; V458-Y460 HydrophobicContact CB-CE2 3.87Å; V458-Y460 HydrophobicContact CG1-CD2 4.41Å; V458-Y460 HydrophobicContact CG1-CE1 4.39Å; V458-Y460 HydrophobicContact CG1-CE2 3.86Å; V458-Y460 WeakPolarHBondContact O-CD2 3.15Å; V458-Y460 WeakPolarHBondContact O-CE2 3.22Å
459V81.4Confident83.6Confident26 Ų2665.1 Ų65.116%0.15834%0.339CS..EExtended strand (participates in β ladder)trans-94.7121.3179.6-178.20000110.6Y451 A464Y451-V459 HydrophobicContact CD1-CB 4.14Å; Y451-V459 HydrophobicContact CE1-CB 3.69Å; Y451-V459 HydrophobicContact CE1-CG1 3.81Å; Y451-V459 HydrophobicContact CE1-CG2 4.11Å; Y451-V459 HydrophobicContact CE2-CG2 4.19Å; Y451-V459 PolarHBondContact O-N 2.83Å; V459-A464 HydrophobicContact CG1-CB 3.76Å
460Y81.8Confident83.7Confident45 Ų4567.5 Ų67.518%0.17635%0.35CS..  trans-102.7-14.2-178.6-64.5-91.6000114.1A383 I387 L389 T450 V458 L462A383-Y460 HydrophobicContact CB-CD1 4.2Å; A383-Y460 HydrophobicContact CB-CE1 4.1Å; I387-Y460 WeakPolarHBondContact CD1-O 3.36Å; I387-Y460 HydrophobicContact CG2-CD1 4.41Å; L389-Y460 HydrophobicContact CD1-CE1 3.86Å; T450-Y460 HydrophobicContact CG2-CD1 3.97Å; T450-Y460 HydrophobicContact CG2-CE1 4.23Å; V458-Y460 HydrophobicContact CB-CE2 3.87Å; V458-Y460 HydrophobicContact CG1-CD2 4.41Å; V458-Y460 HydrophobicContact CG1-CE1 4.39Å; V458-Y460 HydrophobicContact CG1-CE2 3.86Å; V458-Y460 WeakPolarHBondContact O-CD2 3.15Å; V458-Y460 WeakPolarHBondContact O-CE2 3.22Å; Y460-L462 PolarHBondContact O-N 2.93Å
461H84Confident83.7Confident148 Ų14878.4 Ų78.469%0.68539%0.391SS*.  trans-77.4115.1-175.3-66.7-53.1000111.6K463 A464 I465H461-K463 PolarHBondContact O-N 2.8Å; H461-K463 VanDerWaalsContact O-N 3.12Å; H461-A464 HydrophobicContact CB-CB 4.25Å; H461-A464 WeakPolarHBondContact O-CA 3.22Å; H461-A464 WeakPolarHBondContact O-CB 3.42Å; H461-A464 PolarHBondContact O-N 2.94Å; H461-I465 PolarHBondContact O-N 3.32Å
462L86.9Confident83.6Confident76 Ų7677.2 Ų77.240%0.39840%0.398SS..Hα-helixtrans-51.6-38.8-178.2-79.173.4000113.4I387 Y460 A464 I465 A466I387-L462 HydrophobicContact CD1-CD1 3.88Å; I387-L462 HydrophobicContact CG1-CD1 3.71Å; Y460-L462 PolarHBondContact O-N 2.93Å; L462-A464 PolarHBondContact O-N 3.41Å; L462-I465 PolarHBondContact O-N 2.95Å; L462-A466 VanDerWaalsContact O-CB 3.27Å; L462-A466 WeakPolarHBondContact O-CB 3.13Å; L462-A466 PolarHBondContact O-N 2.94Å
463K89.7Confident83.5Confident180 Ų18080 Ų8078%0.78340%0.403SS*.Hα-helixtrans-62.5-39.1176.1-68.6-168.5176.1-171.20112.8H461 I467H461-K463 PolarHBondContact O-N 2.8Å; H461-K463 VanDerWaalsContact O-N 3.12Å; K463-I467 WeakPolarHBondContact O-CB 3.19Å; K463-I467 WeakPolarHBondContact O-CD1 3.5Å; K463-I467 VanDerWaalsContact O-CG1 3.23Å; K463-I467 WeakPolarHBondContact O-CG1 3.47Å; K463-I467 PolarHBondContact O-N 2.86Å
464A88.3Confident84Confident33 Ų3379.7 Ų79.727%0.27340%0.397SS..Hα-helixtrans-74-39.6177.700000111.7V459 H461 L462 I467 N468V459-A464 HydrophobicContact CG1-CB 3.76Å; H461-A464 HydrophobicContact CB-CB 4.25Å; H461-A464 WeakPolarHBondContact O-CA 3.22Å; H461-A464 WeakPolarHBondContact O-CB 3.42Å; H461-A464 PolarHBondContact O-N 2.94Å; L462-A464 PolarHBondContact O-N 3.41Å; A464-I467 PolarHBondContact O-N 3.25Å; A464-N468 VanDerWaalsContact O-CB 3.25Å; A464-N468 WeakPolarHBondContact O-CB 3.46Å; A464-N468 PolarHBondContact O-N 2.88Å
465I90.1Very high84.3Confident4 Ų475.6 Ų75.62%0.02138%0.379CS..Hα-helixtrans-57.1-50.1171.5-64.9166.3000110.1F447 T449 Y451 H461 L462 N468 Y469F447-I465 WeakPolarHBondContact O-CG2 2.99Å; T449-I465 WeakPolarHBondContact O-CG2 3.5Å; Y451-I465 HydrophobicContact CD1-CG1 4.06Å; Y451-I465 HydrophobicContact CE1-CG1 4.19Å; H461-I465 PolarHBondContact O-N 3.32Å; L462-I465 PolarHBondContact O-N 2.95Å; I465-N468 PolarHBondContact O-N 2.86Å; I465-Y469 PolarHBondContact O-N 2.84Å
466A91.7Very high84.8Confident23 Ų2375 Ų7519%0.1937%0.37CS..Hα-helixtrans-60.6-49.9178.700000112.3F447 L462 N468 Y469 L470F447-A466 HydrophobicContact CD1-CB 3.75Å; F447-A466 HydrophobicContact CE1-CB 3.93Å; L462-A466 VanDerWaalsContact O-CB 3.27Å; L462-A466 WeakPolarHBondContact O-CB 3.13Å; L462-A466 PolarHBondContact O-N 2.94Å; A466-N468 VanDerWaalsContact C-N 3.3Å; A466-N468 PolarHBondContact O-N 2.97Å; A466-Y469 PolarHBondContact O-N 3.05Å; A466-L470 VanDerWaalsContact O-CB 3.26Å; A466-L470 WeakPolarHBondContact O-CB 3.48Å; A466-L470 WeakPolarHBondContact O-CD1 3.48Å; A466-L470 WeakPolarHBondContact O-CG 3.43Å; A466-L470 PolarHBondContact O-N 2.85Å
467I91.9Very high85.7Confident113 Ų11373.9 Ų73.958%0.57936%0.356SS*.Hα-helixtrans-60.4-40.1177.9-69.5164.5000111.3K463 A464 R471K463-I467 WeakPolarHBondContact O-CB 3.19Å; K463-I467 WeakPolarHBondContact O-CD1 3.5Å; K463-I467 VanDerWaalsContact O-CG1 3.23Å; K463-I467 WeakPolarHBondContact O-CG1 3.47Å; K463-I467 PolarHBondContact O-N 2.86Å; A464-I467 PolarHBondContact O-N 3.25Å; I467-R471 VanDerWaalsContact O-CB 3.31Å; I467-R471 WeakPolarHBondContact O-CB 3.43Å; I467-R471 PolarHBondContact O-N 3.48Å
468N88.7Confident86.4Confident81 Ų8173.4 Ų73.443%0.43336%0.356SS..Hα-helixtrans-66-38.9177.6-174.984.6000112.6Y451 A464 I465 A466Y451-N468 HydrophobicContact CD1-CB 4.27Å; Y451-N468 HydrophobicContact CE1-CB 3.72Å; Y451-N468 HydrophobicContact CE2-CB 4.21Å; Y451-N468 WeakPolarHBondContact CE2-OD1 3.46Å; A464-N468 VanDerWaalsContact O-CB 3.25Å; A464-N468 WeakPolarHBondContact O-CB 3.46Å; A464-N468 PolarHBondContact O-N 2.88Å; I465-N468 PolarHBondContact O-N 2.86Å; A466-N468 VanDerWaalsContact C-N 3.3Å; A466-N468 PolarHBondContact O-N 2.97Å
469Y90Very high86.4Confident23 Ų2376.2 Ų76.29%0.0937%0.37CS..Hα-helixtrans-72.7-44.6176.6-174.6-141.6000111.9I443 N446 F447 I465 A466 R471 G472 W473 F474 D477I443-Y469 HydrophobicContact CG2-CE1 4.35Å; N446-Y469 HydrophobicContact CB-CD1 4.31Å; N446-Y469 HydrophobicContact CB-CE1 3.73Å; N446-Y469 HydrophobicContact CB-CE2 4.17Å; N446-Y469 PolarHBondContact ND2-OH 2.89Å; F447-Y469 AromaticContact CD1-CD1 3.99Å; F447-Y469 HydrophobicContact CD1-CD1 3.99Å; F447-Y469 HydrophobicContact CD2-CD1 4.02Å; F447-Y469 AromaticContact CD2-CE1 3.99Å; F447-Y469 HydrophobicContact CD2-CE1 3.99Å; F447-Y469 AromaticContact CE1-CD1 3.86Å; F447-Y469 HydrophobicContact CE1-CD1 3.86Å; F447-Y469 AromaticContact CE2-CD1 3.89Å; F447-Y469 HydrophobicContact CE2-CD1 3.89Å; F447-Y469 AromaticContact CE2-CE1 3.86Å; F447-Y469 HydrophobicContact CE2-CE1 3.86Å; F447-Y469 HydrophobicContact CG-CD1 4.06Å; F447-Y469 HydrophobicContact CG-CE1 4.44Å; F447-Y469 AromaticContact CZ-CD1 3.8Å; F447-Y469 HydrophobicContact CZ-CD1 3.8Å; F447-Y469 HydrophobicContact CZ-CE1 4.19Å; I465-Y469 PolarHBondContact O-N 2.84Å; A466-Y469 PolarHBondContact O-N 3.05Å; Y469-R471 VanDerWaalsContact C-N 3.35Å; Y469-R471 PolarHBondContact O-N 3.12Å; Y469-G472 CarbonylContact O-C 3.56Å; Y469-G472 PolarHBondContact O-N 3.11Å; Y469-G472 VanDerWaalsContact O-N 3.15Å; Y469-W473 HydrophobicContact CD2-CB 4.29Å; Y469-W473 HydrophobicContact CE2-CB 4.06Å; Y469-W473 PolarHBondContact O-N 3.05Å; Y469-F474 HydrophobicContact CD1-CB 4.24Å; Y469-F474 HydrophobicContact CD1-CD2 4.29Å; Y469-F474 HydrophobicContact CD2-CB 4.34Å; Y469-F474 HydrophobicContact CE1-CB 4.33Å; Y469-F474 AromaticContact CE1-CD2 3.97Å; Y469-F474 HydrophobicContact CE1-CD2 3.97Å; Y469-F474 HydrophobicContact CE2-CB 4.4Å; Y469-F474 HydrophobicContact CG-CB 4.25Å; Y469-F474 VanDerWaalsContact O-CB 3.31Å; Y469-F474 WeakPolarHBondContact O-CB 3.49Å; Y469-F474 PolarHBondContact O-N 3.34Å; Y469-F474 VanDerWaalsContact O-N 3.1Å; Y469-D477 VanDerWaalsContact CE2-OD2 3.3Å; Y469-D477 WeakPolarHBondContact CE2-OD2 3.3Å; Y469-D477 WeakPolarHBondContact OH-CB 3.42Å; Y469-D477 PolarHBondContact OH-OD2 3.09Å
470L91.4Very high86.2Confident69 Ų6975 Ų7536%0.36136%0.363SS..Hα-helixtrans-59.7-39.2176.6-72.5168.7000112.6F447 A466 G472 F474 F475F447-L470 HydrophobicContact CE1-CD1 4.47Å; F447-L470 HydrophobicContact CE1-CD2 4.24Å; F447-L470 HydrophobicContact CE1-CG 4.04Å; F447-L470 HydrophobicContact CZ-CD2 4.01Å; F447-L470 HydrophobicContact CZ-CG 4.3Å; A466-L470 VanDerWaalsContact O-CB 3.26Å; A466-L470 WeakPolarHBondContact O-CB 3.48Å; A466-L470 WeakPolarHBondContact O-CD1 3.48Å; A466-L470 WeakPolarHBondContact O-CG 3.43Å; A466-L470 PolarHBondContact O-N 2.85Å; L470-G472 PolarHBondContact O-N 2.77Å; L470-F474 HydrophobicContact CD2-CB 4.33Å; L470-F474 HydrophobicContact CD2-CD1 3.53Å; L470-F474 HydrophobicContact CD2-CD2 4.29Å; L470-F474 HydrophobicContact CD2-CE1 3.81Å; L470-F474 HydrophobicContact CD2-CG 3.77Å; L470-F474 HydrophobicContact CD2-CZ 4.31Å; L470-F475 WeakPolarHBondContact O-CE2 3.38Å
471R89.3Confident86.1Confident233 Ų23373.2 Ų73.288%0.87936%0.358SS*.THydrogen-bonded Turntrans-69.9-12178.7-175.3169.1177.7177.70.3113.7I467 Y469I467-R471 VanDerWaalsContact O-CB 3.31Å; I467-R471 WeakPolarHBondContact O-CB 3.43Å; I467-R471 PolarHBondContact O-N 3.48Å; Y469-R471 VanDerWaalsContact C-N 3.35Å; Y469-R471 PolarHBondContact O-N 3.12Å
472G82.7Confident85.8Confident37 Ų3768.8 Ų68.838%0.38134%0.338SS..THydrogen-bonded Turntrans-133.1-105.9-176.700000112.8Y469 L470 F474Y469-G472 CarbonylContact O-C 3.56Å; Y469-G472 PolarHBondContact O-N 3.11Å; Y469-G472 VanDerWaalsContact O-N 3.15Å; L470-G472 PolarHBondContact O-N 2.77Å; G472-F474 VanDerWaalsContact C-N 3.28Å; G472-F474 PolarHBondContact O-N 2.92Å
473W82.7Confident85.3Confident110 Ų11067.3 Ų67.342%0.41733%0.333SS..THydrogen-bonded Turntrans-69.1-18.3-163.7-63.5104.6000115.4Y469 F475 L476 D477 Q522Y469-W473 HydrophobicContact CD2-CB 4.29Å; Y469-W473 HydrophobicContact CE2-CB 4.06Å; Y469-W473 PolarHBondContact O-N 3.05Å; W473-F475 VanDerWaalsContact C-N 3.28Å; W473-F475 PolarHBondContact O-N 3.36Å; W473-L476 HydrophobicContact CE3-CD1 3.64Å; W473-L476 HydrophobicContact CZ3-CD1 3.64Å; W473-L476 PolarHBondContact O-N 2.92Å; W473-D477 WeakPolarHBondContact O-CB 3.45Å; W473-D477 VanDerWaalsContact O-CG 3.27Å; W473-D477 PolarHBondContact O-N 3.47Å; W473-Q522 VanDerWaalsContact CD2-CD 3.42Å; W473-Q522 HydrophobicContact CD2-CG 4.14Å; W473-Q522 HydrophobicContact CE3-CG 4.44Å; W473-Q522 HydrophobicContact CH2-CG 3.78Å; W473-Q522 HydrophobicContact CZ2-CG 3.41Å; W473-Q522 VanDerWaalsContact CZ2-CG 3.41Å; W473-Q522 HydrophobicContact CZ3-CG 4.27Å
474F87.3Confident84.3Confident32 Ų3261.1 Ų61.114%0.1431%0.306CS..Hα-helixtrans-53.1-40.7-179.5173.8-101.9000113.6I443 F447 Y469 L470 G472 D477 L478I443-F474 HydrophobicContact CG2-CD2 4.37Å; I443-F474 HydrophobicContact CG2-CE2 4.13Å; F447-F474 AromaticContact CE2-CD2 3.77Å; F447-F474 HydrophobicContact CE2-CD2 3.77Å; F447-F474 AromaticContact CE2-CE2 3.71Å; F447-F474 HydrophobicContact CE2-CE2 3.71Å; F447-F474 AromaticContact CZ-CD2 3.62Å; F447-F474 HydrophobicContact CZ-CD2 3.62Å; F447-F474 AromaticContact CZ-CE2 3.73Å; F447-F474 HydrophobicContact CZ-CE2 3.73Å; F447-F474 HydrophobicContact CZ-CG 4.39Å; Y469-F474 HydrophobicContact CD1-CB 4.24Å; Y469-F474 HydrophobicContact CD1-CD2 4.29Å; Y469-F474 HydrophobicContact CD2-CB 4.34Å; Y469-F474 HydrophobicContact CE1-CB 4.33Å; Y469-F474 AromaticContact CE1-CD2 3.97Å; Y469-F474 HydrophobicContact CE1-CD2 3.97Å; Y469-F474 HydrophobicContact CE2-CB 4.4Å; Y469-F474 HydrophobicContact CG-CB 4.25Å; Y469-F474 VanDerWaalsContact O-CB 3.31Å; Y469-F474 WeakPolarHBondContact O-CB 3.49Å; Y469-F474 PolarHBondContact O-N 3.34Å; Y469-F474 VanDerWaalsContact O-N 3.1Å; L470-F474 HydrophobicContact CD2-CB 4.33Å; L470-F474 HydrophobicContact CD2-CD1 3.53Å; L470-F474 HydrophobicContact CD2-CD2 4.29Å; L470-F474 HydrophobicContact CD2-CE1 3.81Å; L470-F474 HydrophobicContact CD2-CG 3.77Å; L470-F474 HydrophobicContact CD2-CZ 4.31Å; G472-F474 VanDerWaalsContact C-N 3.28Å; G472-F474 PolarHBondContact O-N 2.92Å; F474-D477 PolarHBondContact O-N 3.4Å; F474-L478 HydrophobicContact CE1-CB 4.38Å; F474-L478 HydrophobicContact CE1-CD2 3.83Å; F474-L478 HydrophobicContact CE2-CB 4.46Å; F474-L478 HydrophobicContact CZ-CB 4.24Å; F474-L478 HydrophobicContact CZ-CD1 4.46Å; F474-L478 HydrophobicContact CZ-CD2 3.88Å; F474-L478 HydrophobicContact CZ-CG 4.42Å; F474-L478 WeakPolarHBondContact O-CB 3.32Å; F474-L478 PolarHBondContact O-N 2.87Å
475F85.4Confident83.2Confident137 Ų13761.5 Ų61.560%0.60130%0.304SS*.Hα-helixtrans-68.1-41.1-177.8-67.7-71000112.9L470 W473 D477 L479L470-F475 WeakPolarHBondContact O-CE2 3.38Å; W473-F475 VanDerWaalsContact C-N 3.28Å; W473-F475 PolarHBondContact O-N 3.36Å; F475-D477 VanDerWaalsContact C-N 3.31Å; F475-L479 VanDerWaalsContact O-CB 3.31Å; F475-L479 WeakPolarHBondContact O-CB 3.2Å; F475-L479 PolarHBondContact O-N 2.97Å
476L81.2Confident82.1Confident70 Ų7064.8 Ų64.837%0.36632%0.324SS..Hα-helixtrans-66.2-37.8173.1-69.7171.8000110.8W473 A480W473-L476 HydrophobicContact CE3-CD1 3.64Å; W473-L476 HydrophobicContact CZ3-CD1 3.64Å; W473-L476 PolarHBondContact O-N 2.92Å; L476-A480 WeakPolarHBondContact O-CB 3.2Å; L476-A480 PolarHBondContact O-N 3.4Å
477D84.5Confident81Confident6 Ų668 Ų683%0.03234%0.337CS..Hα-helixtrans-71.3-37.6-179.4-73.4-4.9000113I443 Y469 W473 F474 F475 A481 R519I443-D477 HydrophobicContact CG1-CB 4.2Å; Y469-D477 VanDerWaalsContact CE2-OD2 3.3Å; Y469-D477 WeakPolarHBondContact CE2-OD2 3.3Å; Y469-D477 WeakPolarHBondContact OH-CB 3.42Å; Y469-D477 PolarHBondContact OH-OD2 3.09Å; W473-D477 WeakPolarHBondContact O-CB 3.45Å; W473-D477 VanDerWaalsContact O-CG 3.27Å; W473-D477 PolarHBondContact O-N 3.47Å; F474-D477 PolarHBondContact O-N 3.4Å; F475-D477 VanDerWaalsContact C-N 3.31Å; D477-A481 WeakPolarHBondContact O-CB 3.34Å; D477-A481 PolarHBondContact O-N 2.87Å; D477-R519 VanDerWaalsContact CA-NH2 3.33Å; D477-R519 VanDerWaalsContact CB-NH2 3.28Å; D477-R519 VanDerWaalsContact CG-CZ 3.41Å; D477-R519 VanDerWaalsContact CG-NE 3.29Å; D477-R519 VanDerWaalsContact CG-NH2 3.31Å; D477-R519 PolarHBondContact O-NH2 2.9Å; D477-R519 IonicContact OD1-CZ 2.67Å; D477-R519 VanDerWaalsContact OD1-CZ 3.23Å; D477-R519 IonicContact OD1-NE 2.65Å; D477-R519 PolarHBondContact OD1-NE 2.91Å; D477-R519 IonicContact OD1-NH2 2.94Å; D477-R519 PolarHBondContact OD1-NH2 2.79Å; D477-R519 IonicContact OD2-CZ 3.6Å; D477-R519 IonicContact OD2-NE 3.14Å; D477-R519 IonicContact OD2-NH2 3.63Å
478L84.8Confident79.6Confident79 Ų7965.5 Ų65.541%0.41432%0.324SS..Hα-helixtrans-69-53175.2177.465.9000111.1F474 A480 A481 I482F474-L478 HydrophobicContact CE1-CB 4.38Å; F474-L478 HydrophobicContact CE1-CD2 3.83Å; F474-L478 HydrophobicContact CE2-CB 4.46Å; F474-L478 HydrophobicContact CZ-CB 4.24Å; F474-L478 HydrophobicContact CZ-CD1 4.46Å; F474-L478 HydrophobicContact CZ-CD2 3.88Å; F474-L478 HydrophobicContact CZ-CG 4.42Å; F474-L478 WeakPolarHBondContact O-CB 3.32Å; F474-L478 PolarHBondContact O-N 2.87Å; L478-A480 PolarHBondContact O-N 3.08Å; L478-A481 PolarHBondContact O-N 2.82Å; L478-I482 WeakPolarHBondContact O-CG1 3.48Å; L478-I482 PolarHBondContact O-N 2.89Å
479L79.8Confident78.4Confident75 Ų7565.8 Ų65.839%0.39334%0.338SS..Hα-helixtrans-55.9-41177.4175.661.2000111F475 A481 I482 L515F475-L479 VanDerWaalsContact O-CB 3.31Å; F475-L479 WeakPolarHBondContact O-CB 3.2Å; F475-L479 PolarHBondContact O-N 2.97Å; L479-A481 PolarHBondContact O-N 2.94Å; L479-I482 HydrophobicContact CD1-CD1 4.32Å; L479-L515 HydrophobicContact CD2-CD1 3.83Å; L479-L515 HydrophobicContact CG-CD1 4.41Å
480A77.3Confident77.2Confident2 Ų269.9 Ų69.92%0.01737%0.365CS..Hα-helixtrans-63.2-26175.300000114.1L476 L478 R516L476-A480 WeakPolarHBondContact O-CB 3.2Å; L476-A480 PolarHBondContact O-N 3.4Å; L478-A480 PolarHBondContact O-N 3.08Å; A480-R516 HydrophobicContact CB-CG 3.59Å; A480-R516 PolarHBondContact O-NE 2.87Å; A480-R516 PolarHBondContact O-NH2 2.9Å
481A80.5Confident75.7Confident7 Ų771.4 Ų71.46%0.05837%0.374CS..THydrogen-bonded Turntrans-96.31.3-17300000114.8I440 I443 D477 L478 L479 P483I440-A481 HydrophobicContact CG1-CB 4.5Å; I443-A481 HydrophobicContact CD1-CB 3.66Å; D477-A481 WeakPolarHBondContact O-CB 3.34Å; D477-A481 PolarHBondContact O-N 2.87Å; L478-A481 PolarHBondContact O-N 2.82Å; L479-A481 PolarHBondContact O-N 2.94Å; A481-P483 WeakPolarHBondContact O-CD 3.47Å
482I77.9Confident74.2Confident54 Ų5465.1 Ų65.128%0.27736%0.358SS..  trans-72.7122.4-178.7-58.1178.6000110.6L478 L479 F484 I487L478-I482 WeakPolarHBondContact O-CG1 3.48Å; L478-I482 PolarHBondContact O-N 2.89Å; L479-I482 HydrophobicContact CD1-CD1 4.32Å; I482-F484 VanDerWaalsContact C-N 3.29Å; I482-F484 HydrophobicContact CB-CD2 4.19Å; I482-F484 HydrophobicContact CB-CE1 4.33Å; I482-F484 HydrophobicContact CB-CE2 3.77Å; I482-F484 HydrophobicContact CB-CZ 3.85Å; I482-F484 HydrophobicContact CD1-CZ 4.05Å; I482-F484 HydrophobicContact CG2-CD1 3.87Å; I482-F484 HydrophobicContact CG2-CD2 4.11Å; I482-F484 HydrophobicContact CG2-CE1 3.72Å; I482-F484 HydrophobicContact CG2-CE2 3.96Å; I482-F484 HydrophobicContact CG2-CG 4.06Å; I482-F484 HydrophobicContact CG2-CZ 3.77Å; I482-F484 WeakPolarHBondContact O-CD2 3.44Å; I482-F484 PolarHBondContact O-N 3.39Å; I482-I487 HydrophobicContact CG2-CD1 3.8Å
483P76.2Confident73Confident45 Ų4568 Ų6829%0.29237%0.37SS..  trans-83.670.4178.435.4-35.8000110.5E436 A481 D485 V486 I487E436-P483 WeakPolarHBondContact OE2-CB 3.29Å; A481-P483 WeakPolarHBondContact O-CD 3.47Å; P483-D485 PolarHBondContact O-N 3.36Å; P483-D485 VanDerWaalsContact O-N 3.1Å; P483-V486 HydrophobicContact CB-CB 4.32Å; P483-V486 HydrophobicContact CB-CG2 4.08Å; P483-V486 PolarHBondContact O-N 3.06Å; P483-I487 PolarHBondContact O-N 2.85Å
484F68.9Low71.6Confident50 Ų5070.7 Ų70.722%0.21939%0.387CS..Hα-helixtrans-52.3-35.8-176.6-68.1-75.7000113.3I482 V486 I487 L488I482-F484 VanDerWaalsContact C-N 3.29Å; I482-F484 HydrophobicContact CB-CD2 4.19Å; I482-F484 HydrophobicContact CB-CE1 4.33Å; I482-F484 HydrophobicContact CB-CE2 3.77Å; I482-F484 HydrophobicContact CB-CZ 3.85Å; I482-F484 HydrophobicContact CD1-CZ 4.05Å; I482-F484 HydrophobicContact CG2-CD1 3.87Å; I482-F484 HydrophobicContact CG2-CD2 4.11Å; I482-F484 HydrophobicContact CG2-CE1 3.72Å; I482-F484 HydrophobicContact CG2-CE2 3.96Å; I482-F484 HydrophobicContact CG2-CG 4.06Å; I482-F484 HydrophobicContact CG2-CZ 3.77Å; I482-F484 WeakPolarHBondContact O-CD2 3.44Å; I482-F484 PolarHBondContact O-N 3.39Å; F484-V486 VanDerWaalsContact C-N 3.33Å; F484-V486 PolarHBondContact O-N 2.85Å; F484-I487 PolarHBondContact O-N 3.11Å; F484-L488 VanDerWaalsContact O-CD1 3.24Å; F484-L488 WeakPolarHBondContact O-CD1 3.23Å; F484-L488 VanDerWaalsContact O-CG 3.31Å; F484-L488 WeakPolarHBondContact O-CG 3.39Å; F484-L488 PolarHBondContact O-N 3.25Å
485D64.6Low70Confident41 Ų4173.6 Ų73.622%0.21940%0.403CS..Hα-helixtrans-57.9-41176.6-70.1-43.5000113.3P483 L488 A489 K510 R513P483-D485 PolarHBondContact O-N 3.36Å; P483-D485 VanDerWaalsContact O-N 3.1Å; D485-L488 PolarHBondContact O-N 2.93Å; D485-A489 WeakPolarHBondContact O-CB 3.4Å; D485-A489 PolarHBondContact O-N 2.94Å; D485-K510 WeakPolarHBondContact OD1-CE 3.32Å; D485-K510 IonicContact OD1-NZ 3.68Å; D485-K510 PolarHBondContact OD1-NZ 3.4Å; D485-K510 IonicContact OD2-NZ 3.84Å; D485-K510 PolarHBondContact OD2-NZ 3.18Å; D485-R513 IonicContact OD2-CZ 2.69Å; D485-R513 IonicContact OD2-NH1 3.14Å; D485-R513 IonicContact OD2-NH2 3.21Å; D485-R513 PolarHBondContact OD2-NH2 3.15Å
486V67Low68.3Low74 Ų7473.5 Ų73.545%0.44841%0.405SS..Hα-helixtrans-71.6-37.9180-179.20000110.8P483 F484 L488 A489 V490P483-V486 HydrophobicContact CB-CB 4.32Å; P483-V486 HydrophobicContact CB-CG2 4.08Å; P483-V486 PolarHBondContact O-N 3.06Å; F484-V486 VanDerWaalsContact C-N 3.33Å; F484-V486 PolarHBondContact O-N 2.85Å; V486-L488 PolarHBondContact O-N 3.36Å; V486-A489 PolarHBondContact O-N 3.15Å; V486-V490 HydrophobicContact CG1-CG2 4.4Å; V486-V490 VanDerWaalsContact O-CG2 3.31Å; V486-V490 WeakPolarHBondContact O-CG2 3.44Å; V486-V490 PolarHBondContact O-N 2.87Å; V486-V490 VanDerWaalsContact O-N 3.15Å
487I68.1Low66.9Low90 Ų9073.8 Ų73.846%0.46242%0.424SS..Hα-helixtrans-61.9-33.1177.5-59.7172.5000110.8I482 P483 F484 N491I482-I487 HydrophobicContact CG2-CD1 3.8Å; P483-I487 PolarHBondContact O-N 2.85Å; F484-I487 PolarHBondContact O-N 3.11Å; I487-N491 PolarHBondContact O-ND2 3.32Å
488L62.3Low65.3Low60 Ų6079.5 Ų79.531%0.31446%0.459SS..Hα-helixtrans-79.4-43.4178.3-63.9153.7000112.1F484 D485 V486 V490 N491 I506F484-L488 VanDerWaalsContact O-CD1 3.24Å; F484-L488 WeakPolarHBondContact O-CD1 3.23Å; F484-L488 VanDerWaalsContact O-CG 3.31Å; F484-L488 WeakPolarHBondContact O-CG 3.39Å; F484-L488 PolarHBondContact O-N 3.25Å; D485-L488 PolarHBondContact O-N 2.93Å; V486-L488 PolarHBondContact O-N 3.36Å; L488-V490 PolarHBondContact O-N 3.27Å; L488-N491 PolarHBondContact O-N 3.17Å; L488-N491 VanDerWaalsContact O-N 3.13Å; L488-I506 HydrophobicContact CD1-CB 4.39Å; L488-I506 HydrophobicContact CD1-CG2 3.27Å; L488-I506 HydrophobicContact CD2-CD1 4.12Å; L488-I506 HydrophobicContact CD2-CG2 3.81Å; L488-I506 HydrophobicContact CG-CG2 4.07Å
489A64.6Low63.7Low88 Ų8879.1 Ų79.173%0.72746%0.457SS*.Hα-helixtrans-65.6-20.9179.800000113.7D485 V486D485-A489 WeakPolarHBondContact O-CB 3.4Å; D485-A489 PolarHBondContact O-N 2.94Å; V486-A489 PolarHBondContact O-N 3.15Å
490V65.5Low62.3Low108 Ų10877.6 Ų77.666%0.65546%0.46SS*.THydrogen-bonded Turntrans-86.9-18.9175.7171.80000112.6V486 L488V486-V490 HydrophobicContact CG1-CG2 4.4Å; V486-V490 VanDerWaalsContact O-CG2 3.31Å; V486-V490 WeakPolarHBondContact O-CG2 3.44Å; V486-V490 PolarHBondContact O-N 2.87Å; V486-V490 VanDerWaalsContact O-N 3.15Å; L488-V490 PolarHBondContact O-N 3.27Å
491N59.8Low61.1Low101 Ų10185.9 Ų85.954%0.5450%0.498SS..SBendtrans-82.6130.6174.3-72.9-23.9000110.1I487 L488I487-N491 PolarHBondContact O-ND2 3.32Å; L488-N491 PolarHBondContact O-N 3.17Å; L488-N491 VanDerWaalsContact O-N 3.13Å
492N56.3Low59.8Low101 Ų10191.3 Ų91.354%0.5452%0.524SS..  trans-49137.7-167.8-66.4-4.3000114.3E494 I495N492-E494 PolarHBondContact O-N 3.12Å; N492-I495 PolarHBondContact O-N 3.48Å
493P57.5Low58.7Low97 Ų9789.7 Ų89.763%0.6352%0.521SS*.G310 helixtrans-63.7-12.7179.527.2-35.7000113.8I495 Q496P493-I495 VanDerWaalsContact C-N 3.32Å; P493-I495 PolarHBondContact O-N 3.45Å; P493-Q496 WeakPolarHBondContact O-CB 3.48Å; P493-Q496 PolarHBondContact O-N 2.89Å
494E54.8Low57.7Low168 Ų16893.4 Ų93.479%0.78554%0.538SS*.G310 helixtrans-67.9-28.5176.2-61179.5138.800113N492 Q496N492-E494 PolarHBondContact O-N 3.12Å; E494-Q496 PolarHBondContact O-N 2.84Å
495I53.2Low57.4Low92 Ų9299.8 Ų99.847%0.47256%0.561SS.*G310 helixtrans-80.3-10.6177.9-34.8-178.8000111.4N492 P493 G497 T498 I499N492-I495 PolarHBondContact O-N 3.48Å; P493-I495 VanDerWaalsContact C-N 3.32Å; P493-I495 PolarHBondContact O-N 3.45Å; I495-G497 PolarHBondContact O-N 2.97Å; I495-T498 PolarHBondContact O-N 2.86Å; I495-I499 HydrophobicContact CB-CD1 4.33Å; I495-I499 HydrophobicContact CG2-CD1 3.51Å; I495-I499 HydrophobicContact CG2-CG1 4.04Å; I495-I499 PolarHBondContact O-N 3.4Å; I495-I499 VanDerWaalsContact O-N 3.16Å
496Q49.3Very low57.2Low136 Ų13699.7 Ų99.764%0.63656%0.56SS**Hα-helixtrans-69-20.1-172.3-150.5161.531.600113P493 E494 G500P493-Q496 WeakPolarHBondContact O-CB 3.48Å; P493-Q496 PolarHBondContact O-N 2.89Å; E494-Q496 PolarHBondContact O-N 2.84Å; Q496-G500 VanDerWaalsContact O-CA 3.32Å; Q496-G500 WeakPolarHBondContact O-CA 3.39Å; Q496-G500 PolarHBondContact O-N 2.99Å
497G52.2Low56.8Low76 Ų76100.5 Ų100.578%0.78456%0.559SS**Hα-helixtrans-68.8-31.7176.600000114.8I495I495-G497 PolarHBondContact O-N 2.97Å
498T49.9Very low56.7Low125 Ų125100.3 Ų100.377%0.76756%0.558SS**Hα-helixtrans-104.2-27.8179-31.40000112.2I495 G500I495-T498 PolarHBondContact O-N 2.86Å; T498-G500 VanDerWaalsContact C-N 3.28Å
499I51.5Low56.8Low71 Ų71101.6 Ų101.636%0.36457%0.565SS.*Hα-helixtrans-80.7-9.8173.1-64.9-179.3000111.4I495 E501 M502 G503 I506I495-I499 HydrophobicContact CB-CD1 4.33Å; I495-I499 HydrophobicContact CG2-CD1 3.51Å; I495-I499 HydrophobicContact CG2-CG1 4.04Å; I495-I499 PolarHBondContact O-N 3.4Å; I495-I499 VanDerWaalsContact O-N 3.16Å; I499-E501 VanDerWaalsContact C-N 3.32Å; I499-E501 PolarHBondContact O-N 3.22Å; I499-E501 VanDerWaalsContact O-N 3.17Å; I499-M502 HydrophobicContact CG2-CB 4.23Å; I499-M502 CarbonylContact O-C 3.59Å; I499-M502 WeakPolarHBondContact O-CA 3.32Å; I499-M502 WeakPolarHBondContact O-CB 3.42Å; I499-M502 PolarHBondContact O-N 3.02Å; I499-G503 PolarHBondContact O-N 3.12Å; I499-I506 HydrophobicContact CG2-CD1 4.24Å
500G51.1Low56.9Low44 Ų4499.3 Ų99.345%0.45454%0.539SS..Hα-helixtrans-50.9-42.1-176.700000115.2Q496 T498 G503Q496-G500 VanDerWaalsContact O-CA 3.32Å; Q496-G500 WeakPolarHBondContact O-CA 3.39Å; Q496-G500 PolarHBondContact O-N 2.99Å; T498-G500 VanDerWaalsContact C-N 3.28Å; G500-G503 PolarHBondContact O-N 3.32Å
501E52.1Low56.9Low175 Ų17597.5 Ų97.582%0.81853%0.525SS*.Hα-helixtrans-70.6-34.6175.9-61-168.8160.200112.6I499 G503I499-E501 VanDerWaalsContact C-N 3.32Å; I499-E501 PolarHBondContact O-N 3.22Å; I499-E501 VanDerWaalsContact O-N 3.17Å; E501-G503 VanDerWaalsContact C-N 3.31Å
502M52.7Low57.3Low121 Ų12193.8 Ų93.860%0.59651%0.508SS*.Hα-helixtrans-70.9-26.8171.8-62.4-173-18000112.2I499 N504 W505 I506I499-M502 HydrophobicContact CG2-CB 4.23Å; I499-M502 CarbonylContact O-C 3.59Å; I499-M502 WeakPolarHBondContact O-CA 3.32Å; I499-M502 WeakPolarHBondContact O-CB 3.42Å; I499-M502 PolarHBondContact O-N 3.02Å; M502-N504 PolarHBondContact O-N 3.34Å; M502-W505 WeakPolarHBondContact O-CA 3.35Å; M502-W505 WeakPolarHBondContact O-CB 3.33Å; M502-W505 PolarHBondContact O-N 3.41Å; M502-I506 HydrophobicContact CB-CD1 4.21Å; M502-I506 VanDerWaalsContact O-CG1 3.29Å; M502-I506 WeakPolarHBondContact O-CG1 3.38Å; M502-I506 PolarHBondContact O-N 3.19Å
503G55Low58Low21 Ų2189.5 Ų89.522%0.21648%0.484CS..Hα-helixtrans-53.6-38.2179.700000113.2I499 G500 E501 I506 H507I499-G503 PolarHBondContact O-N 3.12Å; G500-G503 PolarHBondContact O-N 3.32Å; E501-G503 VanDerWaalsContact C-N 3.31Å; G503-I506 PolarHBondContact O-N 3.25Å; G503-H507 PolarHBondContact O-N 2.94Å
504N55.3Low58.7Low122 Ų12286.4 Ų86.465%0.65246%0.463SS*.Hα-helixtrans-63.7-43.2174.6-114.52.9000112.5M502 I506 H507 L508M502-N504 PolarHBondContact O-N 3.34Å; N504-I506 VanDerWaalsContact C-N 3.29Å; N504-I506 PolarHBondContact O-N 3.29Å; N504-H507 PolarHBondContact O-N 3.27Å; N504-L508 PolarHBondContact O-N 3.36Å
505W62.9Low59.5Low184 Ų18482 Ų8270%0.69744%0.444SS*.Hα-helixtrans-66.8-32.9175.6-66.398.7000112.2M502 L508 L509M502-W505 WeakPolarHBondContact O-CA 3.35Å; M502-W505 WeakPolarHBondContact O-CB 3.33Å; M502-W505 PolarHBondContact O-N 3.41Å; W505-L508 HydrophobicContact CE3-CD2 4.01Å; W505-L508 HydrophobicContact CZ3-CD2 4.13Å; W505-L508 WeakPolarHBondContact O-CA 3.35Å; W505-L508 WeakPolarHBondContact O-CB 3.22Å; W505-L508 PolarHBondContact O-N 3.2Å; W505-L508 VanDerWaalsContact O-N 3.16Å; W505-L509 PolarHBondContact O-N 3.41Å; W505-L509 VanDerWaalsContact O-N 3.17Å
506I60.8Low60.3Low40 Ų4077.8 Ų77.821%0.20542%0.422CS..Hα-helixtrans-75.6-35177.4-58.5161.3000110.8L488 I499 M502 G503 N504 L508 L509L488-I506 HydrophobicContact CD1-CB 4.39Å; L488-I506 HydrophobicContact CD1-CG2 3.27Å; L488-I506 HydrophobicContact CD2-CD1 4.12Å; L488-I506 HydrophobicContact CD2-CG2 3.81Å; L488-I506 HydrophobicContact CG-CG2 4.07Å; I499-I506 HydrophobicContact CG2-CD1 4.24Å; M502-I506 HydrophobicContact CB-CD1 4.21Å; M502-I506 VanDerWaalsContact O-CG1 3.29Å; M502-I506 WeakPolarHBondContact O-CG1 3.38Å; M502-I506 PolarHBondContact O-N 3.19Å; G503-I506 PolarHBondContact O-N 3.25Å; N504-I506 VanDerWaalsContact C-N 3.29Å; N504-I506 PolarHBondContact O-N 3.29Å; I506-L508 PolarHBondContact O-N 3.47Å; I506-L509 HydrophobicContact CG2-CD1 4.33Å; I506-L509 VanDerWaalsContact O-CB 3.28Å; I506-L509 WeakPolarHBondContact O-CB 3.23Å; I506-L509 PolarHBondContact O-N 3.18Å
507H58.7Low61.4Low90 Ų9072.7 Ų72.742%0.41740%0.399SS..Hα-helixtrans-62.8-30.4164.9-70-29.5000112.1G503 N504 L509 K510G503-H507 PolarHBondContact O-N 2.94Å; N504-H507 PolarHBondContact O-N 3.27Å; H507-L509 VanDerWaalsContact C-N 3.26Å; H507-L509 PolarHBondContact O-N 2.73Å; H507-K510 WeakPolarHBondContact ND1-CE 3.44Å; H507-K510 WeakPolarHBondContact O-CB 3.23Å; H507-K510 WeakPolarHBondContact O-CG 3.44Å; H507-K510 PolarHBondContact O-N 2.87Å
508L64.3Low62.2Low87 Ų8770.6 Ų70.646%0.45537%0.374SS..Hα-helixtrans-64.6-27.6170.4-132.872.1000112.6N504 W505 I506 K510 L511N504-L508 PolarHBondContact O-N 3.36Å; W505-L508 HydrophobicContact CE3-CD2 4.01Å; W505-L508 HydrophobicContact CZ3-CD2 4.13Å; W505-L508 WeakPolarHBondContact O-CA 3.35Å; W505-L508 WeakPolarHBondContact O-CB 3.22Å; W505-L508 PolarHBondContact O-N 3.2Å; W505-L508 VanDerWaalsContact O-N 3.16Å; I506-L508 PolarHBondContact O-N 3.47Å; L508-K510 PolarHBondContact O-N 3.3Å; L508-L511 HydrophobicContact CD1-CD1 4.4Å; L508-L511 HydrophobicContact CG-CD1 4Å; L508-L511 VanDerWaalsContact O-CB 3.22Å; L508-L511 WeakPolarHBondContact O-CB 3.42Å; L508-L511 WeakPolarHBondContact O-CG 3.5Å; L508-L511 PolarHBondContact O-N 3.39Å
509L65.7Low63.1Low87 Ų8765 Ų6546%0.45534%0.339SS..G310 helixtrans-64.8-15.4171.2-61.3177.9000113.1W505 I506 H507 L511 A512W505-L509 PolarHBondContact O-N 3.41Å; W505-L509 VanDerWaalsContact O-N 3.17Å; I506-L509 HydrophobicContact CG2-CD1 4.33Å; I506-L509 VanDerWaalsContact O-CB 3.28Å; I506-L509 WeakPolarHBondContact O-CB 3.23Å; I506-L509 PolarHBondContact O-N 3.18Å; H507-L509 VanDerWaalsContact C-N 3.26Å; H507-L509 PolarHBondContact O-N 2.73Å; L509-L511 PolarHBondContact O-N 3.39Å; L509-A512 WeakPolarHBondContact O-CB 3.48Å; L509-A512 PolarHBondContact O-N 3.19Å
510K65.3Low63.8Low40 Ų4062.5 Ų62.517%0.17433%0.326CS..G310 helixtrans-58.4-26.4167.1-60.4177.1-166.1-118.30111.6V413 D485 H507 L508 A512 R513V413-K510 HydrophobicContact CG1-CB 3.84Å; V413-K510 WeakPolarHBondContact CG1-O 3.42Å; D485-K510 WeakPolarHBondContact OD1-CE 3.32Å; D485-K510 IonicContact OD1-NZ 3.68Å; D485-K510 PolarHBondContact OD1-NZ 3.4Å; D485-K510 IonicContact OD2-NZ 3.84Å; D485-K510 PolarHBondContact OD2-NZ 3.18Å; H507-K510 WeakPolarHBondContact ND1-CE 3.44Å; H507-K510 WeakPolarHBondContact O-CB 3.23Å; H507-K510 WeakPolarHBondContact O-CG 3.44Å; H507-K510 PolarHBondContact O-N 2.87Å; L508-K510 PolarHBondContact O-N 3.3Å; K510-A512 PolarHBondContact O-N 3.27Å; K510-R513 WeakPolarHBondContact O-CB 3.44Å; K510-R513 VanDerWaalsContact O-CG 3.27Å; K510-R513 WeakPolarHBondContact O-CG 3.49Å; K510-R513 PolarHBondContact O-N 3.43Å
511L67.6Low64.5Low70 Ų7064.8 Ų64.837%0.36632%0.324SS..G310 helixtrans-63.1-18.9173-61.1174.5000112.9V413 L508 L509 R513 L514V413-L511 HydrophobicContact CG1-CD2 4.21Å; L508-L511 HydrophobicContact CD1-CD1 4.4Å; L508-L511 HydrophobicContact CG-CD1 4Å; L508-L511 VanDerWaalsContact O-CB 3.22Å; L508-L511 WeakPolarHBondContact O-CB 3.42Å; L508-L511 WeakPolarHBondContact O-CG 3.5Å; L508-L511 PolarHBondContact O-N 3.39Å; L509-L511 PolarHBondContact O-N 3.39Å; L511-R513 PolarHBondContact O-N 3.31Å; L511-L514 HydrophobicContact CB-CD1 4.45Å; L511-L514 HydrophobicContact CD2-CD1 3.76Å; L511-L514 HydrophobicContact CD2-CG 4.47Å; L511-L514 WeakPolarHBondContact O-CB 3.27Å; L511-L514 WeakPolarHBondContact O-CG 3.48Å; L511-L514 PolarHBondContact O-N 2.89Å
512A68Low64.9Low23 Ų2360.2 Ų60.219%0.1930%0.302CS..G310 helixtrans-61.7-24.5168.700000112.2L509 K510 L514 L515L509-A512 WeakPolarHBondContact O-CB 3.48Å; L509-A512 PolarHBondContact O-N 3.19Å; K510-A512 PolarHBondContact O-N 3.27Å; A512-L514 PolarHBondContact O-N 3.29Å; A512-L515 HydrophobicContact CB-CD1 4.48Å; A512-L515 VanDerWaalsContact O-CB 3.26Å; A512-L515 WeakPolarHBondContact O-CB 3.41Å; A512-L515 WeakPolarHBondContact O-CG 3.23Å; A512-L515 PolarHBondContact O-N 3.01Å
513R70.6Confident65.5Low10 Ų1055.5 Ų55.54%0.03828%0.278CS..G310 helixtrans-61-23.4169.3-59.1179.3170.6150.18.5112I409 V413 D432 E436 D485 K510 L511 L515 R516I409-R513 HydrophobicContact CG2-CB 3.75Å; V413-R513 HydrophobicContact CG2-CB 4.42Å; D432-R513 IonicContact OD2-NH1 3.82Å; D432-R513 PolarHBondContact OD2-NH1 2.85Å; D432-R513 VanDerWaalsContact OD2-NH1 3.14Å; E436-R513 IonicContact OE1-CZ 2.66Å; E436-R513 IonicContact OE1-NE 2.64Å; E436-R513 PolarHBondContact OE1-NE 3.41Å; E436-R513 IonicContact OE1-NH2 2.68Å; E436-R513 PolarHBondContact OE1-NH2 2.8Å; E436-R513 IonicContact OE2-NH2 2.64Å; D485-R513 IonicContact OD2-CZ 2.69Å; D485-R513 IonicContact OD2-NH1 3.14Å; D485-R513 IonicContact OD2-NH2 3.21Å; D485-R513 PolarHBondContact OD2-NH2 3.15Å; K510-R513 WeakPolarHBondContact O-CB 3.44Å; K510-R513 VanDerWaalsContact O-CG 3.27Å; K510-R513 WeakPolarHBondContact O-CG 3.49Å; K510-R513 PolarHBondContact O-N 3.43Å; L511-R513 PolarHBondContact O-N 3.31Å; R513-L515 VanDerWaalsContact C-N 3.26Å; R513-L515 PolarHBondContact O-N 3.02Å; R513-R516 WeakPolarHBondContact O-CB 3.49Å; R513-R516 WeakPolarHBondContact O-CD 3.42Å; R513-R516 WeakPolarHBondContact O-CG 3.48Å; R513-R516 PolarHBondContact O-N 2.86Å
514L72.4Confident66Low33 Ų3357.6 Ų57.617%0.17328%0.284CS..G310 helixtrans-70.9-18174.5-56.3-178.9000113A410 L511 A512 R516 L517 W548A410-L514 HydrophobicContact CB-CD2 4.29Å; L511-L514 HydrophobicContact CB-CD1 4.45Å; L511-L514 HydrophobicContact CD2-CD1 3.76Å; L511-L514 HydrophobicContact CD2-CG 4.47Å; L511-L514 WeakPolarHBondContact O-CB 3.27Å; L511-L514 WeakPolarHBondContact O-CG 3.48Å; L511-L514 PolarHBondContact O-N 2.89Å; A512-L514 PolarHBondContact O-N 3.29Å; L514-R516 PolarHBondContact O-N 3.5Å; L514-R516 VanDerWaalsContact O-N 3.15Å; L514-L517 WeakPolarHBondContact O-CB 3.43Å; L514-L517 PolarHBondContact O-N 2.89Å; L514-W548 HydrophobicContact CD1-CH2 4.21Å; L514-W548 HydrophobicContact CD1-CZ2 3.9Å; L514-W548 HydrophobicContact CD2-CZ2 3.99Å; L514-W548 HydrophobicContact CG-CZ2 4.43Å
515L71.7Confident66.3Low74 Ų7459 Ų5939%0.38729%0.287SS..G310 helixtrans-61.1-21.1170-60.9173.5000111.9L479 A512 R513 L517 A518L479-L515 HydrophobicContact CD2-CD1 3.83Å; L479-L515 HydrophobicContact CG-CD1 4.41Å; A512-L515 HydrophobicContact CB-CD1 4.48Å; A512-L515 VanDerWaalsContact O-CB 3.26Å; A512-L515 WeakPolarHBondContact O-CB 3.41Å; A512-L515 WeakPolarHBondContact O-CG 3.23Å; A512-L515 PolarHBondContact O-N 3.01Å; R513-L515 VanDerWaalsContact C-N 3.26Å; R513-L515 PolarHBondContact O-N 3.02Å; L515-L517 PolarHBondContact O-N 2.8Å; L515-L517 VanDerWaalsContact O-N 3.16Å; L515-A518 VanDerWaalsContact O-CB 3.26Å; L515-A518 WeakPolarHBondContact O-CB 3.33Å; L515-A518 PolarHBondContact O-N 2.81Å
516R69.4Low66.2Low4 Ų453.8 Ų53.82%0.01527%0.267CS..G310 helixtrans-55.9-27.8169.7-61.4171.9-168.2-173.313.5111.7T406 E436 F439 A480 R513 L514 A518 R519T406-R516 HydrophobicContact CG2-CB 3.89Å; E436-R516 IonicContact OE1-NH2 3.7Å; E436-R516 PolarHBondContact OE1-NH2 2.81Å; F439-R516 HydrophobicContact CE1-CB 4.43Å; F439-R516 HydrophobicContact CE1-CG 4.31Å; A480-R516 HydrophobicContact CB-CG 3.59Å; A480-R516 PolarHBondContact O-NE 2.87Å; A480-R516 PolarHBondContact O-NH2 2.9Å; R513-R516 WeakPolarHBondContact O-CB 3.49Å; R513-R516 WeakPolarHBondContact O-CD 3.42Å; R513-R516 WeakPolarHBondContact O-CG 3.48Å; R513-R516 PolarHBondContact O-N 2.86Å; L514-R516 PolarHBondContact O-N 3.5Å; L514-R516 VanDerWaalsContact O-N 3.15Å; R516-A518 PolarHBondContact O-N 2.96Å; R516-R519 WeakPolarHBondContact O-CB 3.01Å; R516-R519 PolarHBondContact O-N 2.96Å; R516-R519 VanDerWaalsContact O-N 3.15Å
517L72.3Confident66.4Low30 Ų3052.7 Ų52.716%0.15726%0.26CS..G310 helixtrans-65.2-23.4176.1-151.677.4000112.6L514 L515 R519 L520 M541 W548L514-L517 WeakPolarHBondContact O-CB 3.43Å; L514-L517 PolarHBondContact O-N 2.89Å; L515-L517 PolarHBondContact O-N 2.8Å; L515-L517 VanDerWaalsContact O-N 3.16Å; L517-R519 PolarHBondContact O-N 3.36Å; L517-L520 HydrophobicContact CD1-CD1 3.53Å; L517-L520 HydrophobicContact CD1-CG 4.1Å; L517-L520 HydrophobicContact CG-CD1 4.08Å; L517-L520 HydrophobicContact CG-CG 4.3Å; L517-L520 WeakPolarHBondContact O-CB 3.46Å; L517-L520 WeakPolarHBondContact O-CG 3.35Å; L517-L520 PolarHBondContact O-N 2.69Å; L517-M541 HydrophobicContact CD1-CE 4.35Å; L517-M541 HydrophobicContact CD2-SD 4.44Å; L517-W548 HydrophobicContact CD2-CH2 4.19Å
518A69.5Low66.5Low31 Ų3150.9 Ų50.926%0.25626%0.258SS..Hα-helixtrans-64.6-25.3174.300000112.8L515 R516 L520 F521L515-A518 VanDerWaalsContact O-CB 3.26Å; L515-A518 WeakPolarHBondContact O-CB 3.33Å; L515-A518 PolarHBondContact O-N 2.81Å; R516-A518 PolarHBondContact O-N 2.96Å; A518-L520 PolarHBondContact O-N 3.46Å; A518-F521 PolarHBondContact O-N 2.84Å
519R67.9Low66.4Low9 Ų949.2 Ų49.23%0.03425%0.248CC..Hα-helixtrans-62.3-22.8169.7-60.5-171.1-171.5178.314.8112.2D442 D477 R516 L517 K523D442-R519 IonicContact OD2-CZ 3.14Å; D442-R519 IonicContact OD2-NH1 3.36Å; D442-R519 PolarHBondContact OD2-NH1 3.4Å; D477-R519 VanDerWaalsContact CA-NH2 3.33Å; D477-R519 VanDerWaalsContact CB-NH2 3.28Å; D477-R519 VanDerWaalsContact CG-CZ 3.41Å; D477-R519 VanDerWaalsContact CG-NE 3.29Å; D477-R519 VanDerWaalsContact CG-NH2 3.31Å; D477-R519 PolarHBondContact O-NH2 2.9Å; D477-R519 IonicContact OD1-CZ 2.67Å; D477-R519 VanDerWaalsContact OD1-CZ 3.23Å; D477-R519 IonicContact OD1-NE 2.65Å; D477-R519 PolarHBondContact OD1-NE 2.91Å; D477-R519 IonicContact OD1-NH2 2.94Å; D477-R519 PolarHBondContact OD1-NH2 2.79Å; D477-R519 IonicContact OD2-CZ 3.6Å; D477-R519 IonicContact OD2-NE 3.14Å; D477-R519 IonicContact OD2-NH2 3.63Å; R516-R519 WeakPolarHBondContact O-CB 3.01Å; R516-R519 PolarHBondContact O-N 2.96Å; R516-R519 VanDerWaalsContact O-N 3.15Å; L517-R519 PolarHBondContact O-N 3.36Å; R519-K523 PolarHBondContact O-N 2.94Å
520L66.4Low66.5Low17 Ų1751.7 Ų51.79%0.08925%0.252CS..Hα-helixtrans-69.6-37.4179.4-56.1-159.2000111.4L403 F407 L517 A518 Q522 K523 I524 M541L403-L520 HydrophobicContact CD1-CD1 3.82Å; L403-L520 HydrophobicContact CD1-CD2 3.41Å; L403-L520 VanDerWaalsContact CD1-CD2 3.41Å; L403-L520 HydrophobicContact CD1-CG 4.24Å; F407-L520 HydrophobicContact CZ-CD1 4.37Å; L517-L520 HydrophobicContact CD1-CD1 3.53Å; L517-L520 HydrophobicContact CD1-CG 4.1Å; L517-L520 HydrophobicContact CG-CD1 4.08Å; L517-L520 HydrophobicContact CG-CG 4.3Å; L517-L520 WeakPolarHBondContact O-CB 3.46Å; L517-L520 WeakPolarHBondContact O-CG 3.35Å; L517-L520 PolarHBondContact O-N 2.69Å; A518-L520 PolarHBondContact O-N 3.46Å; L520-Q522 PolarHBondContact O-N 3.41Å; L520-K523 CarbonylContact O-C 3.45Å; L520-K523 WeakPolarHBondContact O-CA 3.46Å; L520-K523 PolarHBondContact O-N 2.76Å; L520-I524 WeakPolarHBondContact O-CB 3.38Å; L520-I524 PolarHBondContact O-N 3.44Å; L520-M541 HydrophobicContact CD1-CE 3.77Å
521F66.2Low66.7Low92 Ų9250.8 Ų50.840%0.40425%0.251SS..Hα-helixtrans-61.5-41.6176.4-64.3-62.3000112.2A186 A518 K523 I524A186-F521 HydrophobicContact CB-CD1 3.94Å; A186-F521 HydrophobicContact CB-CE1 3.56Å; A186-F521 HydrophobicContact CB-CZ 4.45Å; A518-F521 PolarHBondContact O-N 2.84Å; F521-K523 VanDerWaalsContact C-N 3.26Å; F521-K523 PolarHBondContact O-N 2.82Å; F521-I524 WeakPolarHBondContact O-CG2 3.3Å; F521-I524 PolarHBondContact O-N 2.83Å; F521-I524 VanDerWaalsContact O-N 3.17Å
522Q61.4Low67Low80 Ų8052.4 Ų52.437%0.37426%0.264SS..Hα-helixtrans-58.6-38.2172.3-61.7175.354.700112.6W473 L520W473-Q522 VanDerWaalsContact CD2-CD 3.42Å; W473-Q522 HydrophobicContact CD2-CG 4.14Å; W473-Q522 HydrophobicContact CE3-CG 4.44Å; W473-Q522 HydrophobicContact CH2-CG 3.78Å; W473-Q522 HydrophobicContact CZ2-CG 3.41Å; W473-Q522 VanDerWaalsContact CZ2-CG 3.41Å; W473-Q522 HydrophobicContact CZ3-CG 4.27Å; L520-Q522 PolarHBondContact O-N 3.41Å
523K64.7Low67.4Low21 Ų2153.3 Ų53.39%0.09127%0.267CS..Hα-helixtrans-83.2-17.4-179.8-67.8178.9172.7-174.40112.3D399 R519 L520 F521 E525 R526 Y527D399-K523 PolarHBondContact O-NZ 3.07Å; D399-K523 WeakPolarHBondContact OD1-CE 3.46Å; D399-K523 IonicContact OD1-NZ 3.61Å; D399-K523 PolarHBondContact OD1-NZ 3.38Å; R519-K523 PolarHBondContact O-N 2.94Å; L520-K523 CarbonylContact O-C 3.45Å; L520-K523 WeakPolarHBondContact O-CA 3.46Å; L520-K523 PolarHBondContact O-N 2.76Å; F521-K523 VanDerWaalsContact C-N 3.26Å; F521-K523 PolarHBondContact O-N 2.82Å; K523-E525 PolarHBondContact O-N 3.25Å; K523-R526 VanDerWaalsContact O-CB 3.28Å; K523-R526 WeakPolarHBondContact O-CB 3.32Å; K523-R526 PolarHBondContact O-N 3.44Å; K523-R526 VanDerWaalsContact O-N 3.13Å; K523-Y527 HydrophobicContact CB-CD2 4.2Å; K523-Y527 HydrophobicContact CB-CE2 3.76Å; K523-Y527 VanDerWaalsContact O-CD2 3.29Å; K523-Y527 WeakPolarHBondContact O-CD2 3.3Å; K523-Y527 PolarHBondContact O-N 3.36Å
524I65.6Low67.5Low65 Ų6555.4 Ų55.433%0.33328%0.278SS..Hα-helixtrans-68.4-36-173.4-134.8169.1000111.7L520 F521 R526 Y527 S528 L537L520-I524 WeakPolarHBondContact O-CB 3.38Å; L520-I524 PolarHBondContact O-N 3.44Å; F521-I524 WeakPolarHBondContact O-CG2 3.3Å; F521-I524 PolarHBondContact O-N 2.83Å; F521-I524 VanDerWaalsContact O-N 3.17Å; I524-R526 PolarHBondContact O-N 3.46Å; I524-Y527 PolarHBondContact O-N 2.92Å; I524-S528 WeakPolarHBondContact O-CB 3.42Å; I524-S528 PolarHBondContact O-N 3.16Å; I524-L537 HydrophobicContact CG1-CD1 4.38Å
525E60.3Low67.8Low153 Ų15355.9 Ų55.972%0.71528%0.281SS*.Hα-helixtrans-61.3-32.4174.5-163.4-165.7164.400112.1K523 Q529K523-E525 PolarHBondContact O-N 3.25Å; E525-Q529 PolarHBondContact O-NE2 3.1Å
526R61Low68.2Low74 Ų7454.3 Ų54.328%0.27928%0.283SS..Hα-helixtrans-70.9-35.5175.3-167.9-171.5-67.4-179.71.6112Q3 D399 K523 I524Q3-R526 HydrophobicContact CG-CG 4.26Å; D399-R526 IonicContact OD2-CZ 2.64Å; D399-R526 IonicContact OD2-NH1 2.82Å; D399-R526 PolarHBondContact OD2-NH1 2.87Å; D399-R526 IonicContact OD2-NH2 2.61Å; K523-R526 VanDerWaalsContact O-CB 3.28Å; K523-R526 WeakPolarHBondContact O-CB 3.32Å; K523-R526 PolarHBondContact O-N 3.44Å; K523-R526 VanDerWaalsContact O-N 3.13Å; I524-R526 PolarHBondContact O-N 3.46Å
527Y65.5Low68.6Low16 Ų1655.4 Ų55.46%0.06329%0.288CS..Hα-helixtrans-92.1-28.9-176.6-59.8-42.2000114.1W400 L403 K523 I524 Q529 Y530W400-Y527 AromaticContact CE2-CE1 3.82Å; W400-Y527 HydrophobicContact CZ2-CD1 4.03Å; W400-Y527 AromaticContact CZ2-CE1 3.75Å; W400-Y527 HydrophobicContact CZ2-CE1 3.75Å; W400-Y527 AromaticContact NE1-CE1 3.91Å; L403-Y527 HydrophobicContact CD2-CE2 4.13Å; K523-Y527 HydrophobicContact CB-CD2 4.2Å; K523-Y527 HydrophobicContact CB-CE2 3.76Å; K523-Y527 VanDerWaalsContact O-CD2 3.29Å; K523-Y527 WeakPolarHBondContact O-CD2 3.3Å; K523-Y527 PolarHBondContact O-N 3.36Å; I524-Y527 PolarHBondContact O-N 2.92Å; Y527-Q529 PolarHBondContact O-N 2.75Å; Y527-Y530 PolarHBondContact O-N 3.03Å
528S60.4Low68.9Low52 Ų5254.5 Ų54.536%0.36428%0.284SS..THydrogen-bonded Turntrans-60.3-12.3-175.4-179.30000114.7I524 Y530 I534I524-S528 WeakPolarHBondContact O-CB 3.42Å; I524-S528 PolarHBondContact O-N 3.16Å; S528-Y530 VanDerWaalsContact C-N 3.27Å; S528-Y530 PolarHBondContact O-N 3.24Å; S528-I534 WeakPolarHBondContact O-CD1 3.3Å; S528-I534 WeakPolarHBondContact OG-CD1 3.36Å
529Q62.9Low69.5Low53 Ų5356 Ų5625%0.24829%0.287CS..THydrogen-bonded Turntrans-73.9-22.8176.8-48.6171.511.200112.7M1 E525 Y527 M1074M1-Q529 VanDerWaalsContact CA-OE1 3.29Å; M1-Q529 PolarHBondContact O-NE2 3.5Å; M1-Q529 PolarHBondContact O-OE1 2.9Å; E525-Q529 PolarHBondContact O-NE2 3.1Å; Y527-Q529 PolarHBondContact O-N 2.75Å; Q529-M1074 VanDerWaalsContact O-CE 3.32Å; Q529-M1074 WeakPolarHBondContact O-CE 3.4Å
530Y68.5Low70.2Confident138 Ų13857.9 Ų57.954%0.54130%0.3SS..SBendtrans-100.194.4173.1-60.5-85.4000107.5Y527 S528 T532 V533 I534Y527-Y530 PolarHBondContact O-N 3.03Å; S528-Y530 VanDerWaalsContact C-N 3.27Å; S528-Y530 PolarHBondContact O-N 3.24Å; Y530-T532 PolarHBondContact O-N 3.49Å; Y530-V533 WeakPolarHBondContact O-CA 3.34Å; Y530-V533 WeakPolarHBondContact O-CB 3.45Å; Y530-V533 PolarHBondContact O-N 3.16Å; Y530-I534 PolarHBondContact O-N 2.9Å
531S69.1Low70.9Confident21 Ų2158.9 Ų58.915%0.14731%0.305CS..Hα-helixtrans-52.8-34-173.9-40.10000113.5V533 I534 L535 R654S531-V533 VanDerWaalsContact C-N 3.32Å; S531-V533 PolarHBondContact O-N 3.11Å; S531-I534 WeakPolarHBondContact O-CB 3.49Å; S531-I534 PolarHBondContact O-N 2.85Å; S531-L535 PolarHBondContact O-N 3.39Å; S531-L535 VanDerWaalsContact O-N 3.14Å; S531-R654 PolarHBondContact OG-NH1 3.28Å
532T74Confident71.9Confident104 Ų10455.6 Ų55.664%0.63829%0.291SS*.Hα-helixtrans-64.7-32.6174.7-40.10000113Y530 L535 G536Y530-T532 PolarHBondContact O-N 3.49Å; T532-L535 PolarHBondContact O-N 2.97Å; T532-G536 PolarHBondContact O-N 2.94Å
533V75.2Confident73.2Confident42 Ų4258 Ų5826%0.25530%0.3SS..Hα-helixtrans-74.6-34.1175.5-177.80000110.8W400 Y530 S531 L535 G536 L537W400-V533 HydrophobicContact CH2-CG1 4.24Å; Y530-V533 WeakPolarHBondContact O-CA 3.34Å; Y530-V533 WeakPolarHBondContact O-CB 3.45Å; Y530-V533 PolarHBondContact O-N 3.16Å; S531-V533 VanDerWaalsContact C-N 3.32Å; S531-V533 PolarHBondContact O-N 3.11Å; V533-L535 VanDerWaalsContact C-N 3.34Å; V533-G536 PolarHBondContact O-N 3.41Å; V533-L537 HydrophobicContact CG1-CD1 4.05Å; V533-L537 HydrophobicContact CG1-CG 4.31Å; V533-L537 WeakPolarHBondContact O-CB 3.38Å; V533-L537 VanDerWaalsContact O-CG 3.27Å; V533-L537 WeakPolarHBondContact O-CG 3.28Å; V533-L537 PolarHBondContact O-N 3.25Å
534I74.2Confident74.4Confident54 Ų5457.4 Ų57.428%0.27730%0.298SS..Hα-helixtrans-56.8-52.1168-54.1175.2000109.3S528 Y530 S531 G536 L537 L538S528-I534 WeakPolarHBondContact O-CD1 3.3Å; S528-I534 WeakPolarHBondContact OG-CD1 3.36Å; Y530-I534 PolarHBondContact O-N 2.9Å; S531-I534 WeakPolarHBondContact O-CB 3.49Å; S531-I534 PolarHBondContact O-N 2.85Å; I534-G536 PolarHBondContact O-N 3.08Å; I534-L537 PolarHBondContact O-N 3.22Å; I534-L538 VanDerWaalsContact O-CB 3.27Å; I534-L538 WeakPolarHBondContact O-CB 3.33Å; I534-L538 PolarHBondContact O-N 3.31Å
535L76.9Confident75.5Confident43 Ų4355.5 Ų55.523%0.22529%0.289CS..Hα-helixtrans-61-44.1-178.3-179.658000111.6S531 T532 V533 L537 L538 M539 V648 L651S531-L535 PolarHBondContact O-N 3.39Å; S531-L535 VanDerWaalsContact O-N 3.14Å; T532-L535 PolarHBondContact O-N 2.97Å; V533-L535 VanDerWaalsContact C-N 3.34Å; L535-L537 PolarHBondContact O-N 2.83Å; L535-L538 PolarHBondContact O-N 2.95Å; L535-M539 HydrophobicContact CD1-CE 3.99Å; L535-M539 HydrophobicContact CD1-CG 4.14Å; L535-M539 HydrophobicContact CG-CG 4.43Å; L535-M539 VanDerWaalsContact O-CG 3.27Å; L535-M539 WeakPolarHBondContact O-CG 3.42Å; L535-M539 PolarHBondContact O-N 3.02Å; L535-V648 HydrophobicContact CD1-CG2 3.54Å; L535-V648 HydrophobicContact CD2-CG2 4.26Å; L535-L651 HydrophobicContact CB-CD2 4.28Å; L535-L651 HydrophobicContact CD2-CD2 3.53Å
536G81.1Confident77.1Confident42 Ų4248.2 Ų48.243%0.43326%0.255SS..Hα-helixtrans-60-44.2175.600000113.3T532 V533 I534 C540T532-G536 PolarHBondContact O-N 2.94Å; V533-G536 PolarHBondContact O-N 3.41Å; I534-G536 PolarHBondContact O-N 3.08Å; G536-C540 WeakPolarHBondContact O-CB 3.33Å; G536-C540 PolarHBondContact O-N 2.78Å
537L77Confident78.7Confident26 Ų2645 Ų4514%0.13624%0.243CC..Hα-helixtrans-64-42.1174.6-72.2170.4000111.5F407 I524 V533 I534 L535 C540 M541F407-L537 HydrophobicContact CE2-CD2 4.09Å; F407-L537 HydrophobicContact CZ-CD2 3.98Å; I524-L537 HydrophobicContact CG1-CD1 4.38Å; V533-L537 HydrophobicContact CG1-CD1 4.05Å; V533-L537 HydrophobicContact CG1-CG 4.31Å; V533-L537 WeakPolarHBondContact O-CB 3.38Å; V533-L537 VanDerWaalsContact O-CG 3.27Å; V533-L537 WeakPolarHBondContact O-CG 3.28Å; V533-L537 PolarHBondContact O-N 3.25Å; I534-L537 PolarHBondContact O-N 3.22Å; L535-L537 PolarHBondContact O-N 2.83Å; L537-C540 WeakPolarHBondContact O-CB 2.97Å; L537-C540 PolarHBondContact O-N 3.36Å; L537-M541 WeakPolarHBondContact O-CG 3.1Å; L537-M541 PolarHBondContact O-N 2.95Å
538L78.3Confident80Confident12 Ų1247.7 Ų47.76%0.06325%0.253CS..Hα-helixtrans-64.5-42.7179.3-177.764000112.3V187 I534 L535 C540 M541 F542 V644 N647V187-L538 HydrophobicContact CG1-CD1 3.63Å; I534-L538 VanDerWaalsContact O-CB 3.27Å; I534-L538 WeakPolarHBondContact O-CB 3.33Å; I534-L538 PolarHBondContact O-N 3.31Å; L535-L538 PolarHBondContact O-N 2.95Å; L538-C540 VanDerWaalsContact C-N 3.33Å; L538-M541 PolarHBondContact O-N 2.88Å; L538-F542 PolarHBondContact O-N 3.14Å; L538-V644 HydrophobicContact CD1-CG2 4.5Å; L538-V644 HydrophobicContact CD2-CG2 4.21Å; L538-V644 HydrophobicContact CG-CG2 4.08Å; L538-N647 HydrophobicContact CD2-CB 3.62Å; L538-N647 VanDerWaalsContact CD2-ND2 3.33Å; L538-N647 WeakPolarHBondContact CD2-ND2 3.34Å
539M82.8Confident81.6Confident63 Ų6347 Ų4731%0.3124%0.243SC..Hα-helixtrans-61-42.8171.6-67.4-62.593.900111.1L535 M541 F542 F543 V644L535-M539 HydrophobicContact CD1-CE 3.99Å; L535-M539 HydrophobicContact CD1-CG 4.14Å; L535-M539 HydrophobicContact CG-CG 4.43Å; L535-M539 VanDerWaalsContact O-CG 3.27Å; L535-M539 WeakPolarHBondContact O-CG 3.42Å; L535-M539 PolarHBondContact O-N 3.02Å; M539-M541 VanDerWaalsContact C-N 3.35Å; M539-M541 PolarHBondContact O-N 3.29Å; M539-F542 WeakPolarHBondContact O-CB 3.14Å; M539-F542 PolarHBondContact O-N 3.45Å; M539-F543 WeakPolarHBondContact O-CD2 3.36Å; M539-F543 PolarHBondContact O-N 3.44Å; M539-F543 VanDerWaalsContact O-N 3.13Å; M539-V644 HydrophobicContact CE-CB 4.18Å; M539-V644 HydrophobicContact CE-CG1 3.49Å; M539-V644 VanDerWaalsContact CE-CG1 3.49Å; M539-V644 HydrophobicContact CE-CG2 3.62Å
540C82.9Confident83.1Confident47 Ų4744.4 Ų44.432%0.31823%0.232SC..Hα-helixtrans-64.2-38.5176.9-161.30000112.2F407 G536 L537 L538 F543 L544F407-C540 HydrophobicContact CE1-CB 4.1Å; F407-C540 WeakPolarHBondContact CE1-SG 3.37Å; F407-C540 HydrophobicContact CZ-CB 4.15Å; G536-C540 WeakPolarHBondContact O-CB 3.33Å; G536-C540 PolarHBondContact O-N 2.78Å; L537-C540 WeakPolarHBondContact O-CB 2.97Å; L537-C540 PolarHBondContact O-N 3.36Å; L538-C540 VanDerWaalsContact C-N 3.33Å; C540-F543 PolarHBondContact O-N 3.48Å; C540-L544 WeakPolarHBondContact O-CB 3.33Å; C540-L544 PolarHBondContact O-N 3.47Å
541M81.4Confident84.2Confident39 Ų3938.1 Ų38.119%0.19221%0.208CC..Hα-helixtrans-65.7-35.9173.4-67.3-59.1156.600112.7F407 L517 L520 L537 L538 M539 L544 V545F407-M541 HydrophobicContact CE1-CE 3.65Å; F407-M541 HydrophobicContact CZ-CE 3.75Å; L517-M541 HydrophobicContact CD1-CE 4.35Å; L517-M541 HydrophobicContact CD2-SD 4.44Å; L520-M541 HydrophobicContact CD1-CE 3.77Å; L537-M541 WeakPolarHBondContact O-CG 3.1Å; L537-M541 PolarHBondContact O-N 2.95Å; L538-M541 PolarHBondContact O-N 2.88Å; M539-M541 VanDerWaalsContact C-N 3.35Å; M539-M541 PolarHBondContact O-N 3.29Å; M541-L544 PolarHBondContact O-N 3.27Å; M541-L544 HydrophobicContact SD-CD1 4.09Å; M541-L544 HydrophobicContact SD-CD2 4.48Å; M541-V545 WeakPolarHBondContact O-CG2 3.13Å; M541-V545 PolarHBondContact O-N 3.07Å
542F86.4Confident85.3Confident23 Ų2338.2 Ų38.210%0.10121%0.212CC..Hα-helixtrans-61-50.8173.5179.1-93.4000111.8L538 M539 L544 V545 A546 L611 T612 M640L538-F542 PolarHBondContact O-N 3.14Å; M539-F542 WeakPolarHBondContact O-CB 3.14Å; M539-F542 PolarHBondContact O-N 3.45Å; F542-L544 VanDerWaalsContact C-N 3.32Å; F542-L544 PolarHBondContact O-N 3.08Å; F542-V545 PolarHBondContact O-N 2.9Å; F542-A546 WeakPolarHBondContact O-CB 3.25Å; F542-A546 PolarHBondContact O-N 2.98Å; F542-L611 HydrophobicContact CE2-CB 4.01Å; F542-L611 HydrophobicContact CZ-CB 3.94Å; F542-T612 HydrophobicContact CE1-CG2 4.32Å; F542-T612 HydrophobicContact CZ-CG2 3.82Å; F542-M640 HydrophobicContact CB-CE 4.42Å; F542-M640 HydrophobicContact CD2-CB 4.47Å; F542-M640 HydrophobicContact CD2-CE 4.4Å
543F89.2Confident86.3Confident130 Ų13033.3 Ų33.357%0.5718%0.182SC*.Hα-helixtrans-63.8-35.7176.5-71.4-65.1000113M539 C540 A546 H547M539-F543 WeakPolarHBondContact O-CD2 3.36Å; M539-F543 PolarHBondContact O-N 3.44Å; M539-F543 VanDerWaalsContact O-N 3.13Å; C540-F543 PolarHBondContact O-N 3.48Å; F543-A546 PolarHBondContact O-N 3.02Å; F543-H547 VanDerWaalsContact O-CB 3.28Å; F543-H547 WeakPolarHBondContact O-CB 3.16Å; F543-H547 PolarHBondContact O-N 2.64Å
544L89.3Confident87.1Confident8 Ų831.5 Ų31.54%0.04217%0.17CC..Hα-helixtrans-65.5-42.3176.5174.1160.2000111.9F407 A410 C540 M541 F542 H547 W548F407-L544 HydrophobicContact CD1-CD1 4.12Å; F407-L544 HydrophobicContact CE1-CD1 4.16Å; A410-L544 HydrophobicContact CB-CD1 3.67Å; A410-L544 HydrophobicContact CB-CG 4.36Å; C540-L544 WeakPolarHBondContact O-CB 3.33Å; C540-L544 PolarHBondContact O-N 3.47Å; M541-L544 PolarHBondContact O-N 3.27Å; M541-L544 HydrophobicContact SD-CD1 4.09Å; M541-L544 HydrophobicContact SD-CD2 4.48Å; F542-L544 VanDerWaalsContact C-N 3.32Å; F542-L544 PolarHBondContact O-N 3.08Å; L544-H547 PolarHBondContact O-N 3.3Å; L544-W548 HydrophobicContact CD2-CD2 3.83Å; L544-W548 VanDerWaalsContact CD2-CE2 3.45Å; L544-W548 HydrophobicContact CD2-CE3 4.19Å; L544-W548 HydrophobicContact CD2-CG 4.44Å; L544-W548 HydrophobicContact CD2-CH2 3.94Å; L544-W548 HydrophobicContact CD2-CZ2 3.54Å; L544-W548 HydrophobicContact CD2-CZ3 4.25Å; L544-W548 HydrophobicContact CG-CZ2 4.27Å; L544-W548 VanDerWaalsContact O-CD1 3.26Å; L544-W548 PolarHBondContact O-N 3.33Å
545V90Very high87.8Confident25 Ų2531.6 Ų31.615%0.15218%0.175CC..Hα-helixtrans-69.6-40.4174.3174.20000111.4M541 F542 H547 W548 F549 M640M541-V545 WeakPolarHBondContact O-CG2 3.13Å; M541-V545 PolarHBondContact O-N 3.07Å; F542-V545 PolarHBondContact O-N 2.9Å; V545-H547 VanDerWaalsContact C-N 3.26Å; V545-H547 PolarHBondContact O-N 3.36Å; V545-W548 PolarHBondContact O-N 3.24Å; V545-F549 HydrophobicContact CG1-CD1 4.41Å; V545-F549 HydrophobicContact CG1-CD2 4.05Å; V545-F549 HydrophobicContact CG1-CE1 4.13Å; V545-F549 HydrophobicContact CG1-CE2 3.76Å; V545-F549 HydrophobicContact CG1-CG 4.38Å; V545-F549 HydrophobicContact CG1-CZ 3.79Å; V545-F549 WeakPolarHBondContact O-CG 3.25Å; V545-F549 PolarHBondContact O-N 2.94Å; V545-M640 HydrophobicContact CB-CE 3.93Å; V545-M640 HydrophobicContact CB-SD 3.87Å; V545-M640 HydrophobicContact CG1-CE 4.43Å; V545-M640 HydrophobicContact CG1-SD 3.69Å; V545-M640 HydrophobicContact CG2-CE 3.8Å; V545-M640 HydrophobicContact CG2-SD 4.05Å
546A93.1Very high88.5Confident0 Ų031.4 Ų31.40%017%0.174CC..Hα-helixtrans-57.4-40.7173.100000112.1F542 F543 A550 L604 T607 L611F542-A546 WeakPolarHBondContact O-CB 3.25Å; F542-A546 PolarHBondContact O-N 2.98Å; F543-A546 PolarHBondContact O-N 3.02Å; A546-A550 WeakPolarHBondContact O-CB 3.3Å; A546-A550 PolarHBondContact O-N 3.01Å; A546-L604 HydrophobicContact CB-CD1 4.36Å; A546-T607 PolarHBondContact O-OG1 3.3Å; A546-L611 VanDerWaalsContact CA-CD1 3.43Å; A546-L611 HydrophobicContact CB-CD1 3.6Å
547H94.2Very high88.8Confident6 Ų629.4 Ų29.43%0.02815%0.153CC..Hα-helixtrans-67.6-43.6174172.775.2000113.2I411 F543 L544 V545 F549 A550 C551 Y600I411-H547 PolarHBondContact O-NE2 3.04Å; F543-H547 VanDerWaalsContact O-CB 3.28Å; F543-H547 WeakPolarHBondContact O-CB 3.16Å; F543-H547 PolarHBondContact O-N 2.64Å; L544-H547 PolarHBondContact O-N 3.3Å; V545-H547 VanDerWaalsContact C-N 3.26Å; V545-H547 PolarHBondContact O-N 3.36Å; H547-F549 VanDerWaalsContact C-N 3.33Å; H547-F549 PolarHBondContact O-N 3.06Å; H547-A550 WeakPolarHBondContact O-CB 3.26Å; H547-A550 PolarHBondContact O-N 3.21Å; H547-C551 PolarHBondContact O-N 3.21Å; H547-C551 PolarHBondContact O-SG 3Å; H547-Y600 AromaticContact CE1-CE2 3.77Å; H547-Y600 AromaticContact ND1-CE2 3.55Å; H547-Y600 AromaticContact ND1-CZ 3.66Å; H547-Y600 PolarHBondContact ND1-OH 3.09Å
548W92.7Very high89.2Confident74 Ų7431.4 Ų31.428%0.2816%0.161SC..Hα-helixtrans-60.4-43.8174.9-71.63.2000111.6A410 L514 L517 L544 V545 C551 G552A410-W548 HydrophobicContact CB-CZ2 4.4Å; A410-W548 PolarHBondContact O-NE1 2.96Å; L514-W548 HydrophobicContact CD1-CH2 4.21Å; L514-W548 HydrophobicContact CD1-CZ2 3.9Å; L514-W548 HydrophobicContact CD2-CZ2 3.99Å; L514-W548 HydrophobicContact CG-CZ2 4.43Å; L517-W548 HydrophobicContact CD2-CH2 4.19Å; L544-W548 HydrophobicContact CD2-CD2 3.83Å; L544-W548 VanDerWaalsContact CD2-CE2 3.45Å; L544-W548 HydrophobicContact CD2-CE3 4.19Å; L544-W548 HydrophobicContact CD2-CG 4.44Å; L544-W548 HydrophobicContact CD2-CH2 3.94Å; L544-W548 HydrophobicContact CD2-CZ2 3.54Å; L544-W548 HydrophobicContact CD2-CZ3 4.25Å; L544-W548 HydrophobicContact CG-CZ2 4.27Å; L544-W548 VanDerWaalsContact O-CD1 3.26Å; L544-W548 PolarHBondContact O-N 3.33Å; V545-W548 PolarHBondContact O-N 3.24Å; W548-C551 PolarHBondContact O-N 3.46Å; W548-G552 PolarHBondContact O-N 2.9Å
549F94.3Very high89.6Confident36 Ų3636 Ų3616%0.15818%0.182CC..Hα-helixtrans-67.9-35.4175.3-68.7-5.8000111.8V545 H547 C551 G552 W553 T607 L611 F629 T633 I636V545-F549 HydrophobicContact CG1-CD1 4.41Å; V545-F549 HydrophobicContact CG1-CD2 4.05Å; V545-F549 HydrophobicContact CG1-CE1 4.13Å; V545-F549 HydrophobicContact CG1-CE2 3.76Å; V545-F549 HydrophobicContact CG1-CG 4.38Å; V545-F549 HydrophobicContact CG1-CZ 3.79Å; V545-F549 WeakPolarHBondContact O-CG 3.25Å; V545-F549 PolarHBondContact O-N 2.94Å; H547-F549 VanDerWaalsContact C-N 3.33Å; H547-F549 PolarHBondContact O-N 3.06Å; F549-C551 VanDerWaalsContact C-N 3.29Å; F549-C551 PolarHBondContact O-N 3.25Å; F549-G552 PolarHBondContact O-N 2.91Å; F549-W553 VanDerWaalsContact O-CB 3.25Å; F549-W553 WeakPolarHBondContact O-CB 3.08Å; F549-W553 PolarHBondContact O-N 2.86Å; F549-T607 HydrophobicContact CB-CG2 3.81Å; F549-L611 HydrophobicContact CD2-CD1 4.15Å; F549-L611 HydrophobicContact CD2-CD2 4.08Å; F549-L611 HydrophobicContact CD2-CG 4.43Å; F549-L611 HydrophobicContact CE2-CD2 4.02Å; F549-F629 HydrophobicContact CB-CZ 3.95Å; F549-F629 HydrophobicContact CD1-CZ 4.49Å; F549-F629 HydrophobicContact CG-CZ 4.29Å; F549-F629 WeakPolarHBondContact O-CZ 3.5Å; F549-T633 HydrophobicContact CD2-CG2 3.98Å; F549-T633 HydrophobicContact CE2-CG2 4.46Å; F549-I636 HydrophobicContact CE2-CB 4.14Å; F549-I636 HydrophobicContact CE2-CD1 4.39Å; F549-I636 HydrophobicContact CE2-CG2 3.92Å; F549-I636 HydrophobicContact CZ-CB 4.24Å; F549-I636 HydrophobicContact CZ-CD1 3.72Å; F549-I636 HydrophobicContact CZ-CG2 3.92Å
550A94.6Very high89.8Confident0 Ų033.8 Ų33.80%017%0.171CC..Hα-helixtrans-61.5-39174.800000111.9A546 H547 Y554 S603 L604A546-A550 WeakPolarHBondContact O-CB 3.3Å; A546-A550 PolarHBondContact O-N 3.01Å; H547-A550 WeakPolarHBondContact O-CB 3.26Å; H547-A550 PolarHBondContact O-N 3.21Å; A550-Y554 PolarHBondContact O-N 3.22Å; A550-Y554 VanDerWaalsContact O-N 3.11Å; A550-S603 WeakPolarHBondContact O-CB 3.46Å; A550-L604 HydrophobicContact CB-CB 4.05Å; A550-L604 HydrophobicContact CB-CD1 4.01Å
551C92.6Very high89.7Confident6 Ų633.7 Ų33.74%0.04117%0.165CC..Hα-helixtrans-67.2-45.2174.1-61.30000111.3P414 A418 H547 W548 F549 W553 Y554 C555P414-C551 HydrophobicContact CB-CB 4.12Å; A418-C551 HydrophobicContact CB-CB 3.86Å; H547-C551 PolarHBondContact O-N 3.21Å; H547-C551 PolarHBondContact O-SG 3Å; W548-C551 PolarHBondContact O-N 3.46Å; F549-C551 VanDerWaalsContact C-N 3.29Å; F549-C551 PolarHBondContact O-N 3.25Å; C551-W553 PolarHBondContact O-N 2.86Å; C551-Y554 PolarHBondContact O-N 2.84Å; C551-C555 PolarHBondContact O-N 3.46Å; C551-C555 PolarHBondContact O-SG 2.88Å; C551-C555 VanDerWaalsContact O-SG 3.36Å
552G91.4Very high89.6Confident23 Ų2337.8 Ų37.824%0.23718%0.182CC..Hα-helixtrans-61-42.5175.500000113.6W548 F549 Y554 C555 I556W548-G552 PolarHBondContact O-N 2.9Å; F549-G552 PolarHBondContact O-N 2.91Å; G552-Y554 VanDerWaalsContact C-N 3.34Å; G552-Y554 PolarHBondContact O-N 3.24Å; G552-C555 PolarHBondContact O-N 3.02Å; G552-I556 WeakPolarHBondContact O-CG1 3.31Å; G552-I556 PolarHBondContact O-N 3.36Å
553W94.5Very high89.4Confident0 Ų038.9 Ų38.90%019%0.193CC..Hα-helixtrans-61.4-40.3175.5-177.5-111.4000112.5F549 C551 G557 W571 F606 T607 V619 P621 E626 F629F549-W553 VanDerWaalsContact O-CB 3.25Å; F549-W553 WeakPolarHBondContact O-CB 3.08Å; F549-W553 PolarHBondContact O-N 2.86Å; C551-W553 PolarHBondContact O-N 2.86Å; W553-G557 PolarHBondContact O-N 3.45Å; W553-W571 AromaticContact CD1-CE2 3.57Å; W553-W571 AromaticContact CD1-CZ2 3.5Å; W553-W571 VanDerWaalsContact CD1-CZ2 3.5Å; W553-W571 AromaticContact CD1-NE1 3.81Å; W553-W571 AromaticContact CD2-NE1 3.86Å; W553-W571 AromaticContact CE2-CD1 3.48Å; W553-W571 VanDerWaalsContact CE2-CD1 3.48Å; W553-W571 AromaticContact CE2-CD2 3.85Å; W553-W571 AromaticContact CE2-CE2 3.72Å; W553-W571 AromaticContact CE2-CG 3.73Å; W553-W571 AromaticContact CE2-NE1 3.44Å; W553-W571 HydrophobicContact CG-CZ2 4.38Å; W553-W571 AromaticContact CH2-CD1 3.93Å; W553-W571 HydrophobicContact CH2-CG 4.34Å; W553-W571 HydrophobicContact CZ2-CB 3.83Å; W553-W571 AromaticContact CZ2-CD1 3.34Å; W553-W571 HydrophobicContact CZ2-CD2 4.05Å; W553-W571 AromaticContact CZ2-CG 3.46Å; W553-W571 HydrophobicContact CZ2-CG 3.46Å; W553-W571 VanDerWaalsContact CZ2-CG 3.46Å; W553-W571 AromaticContact CZ2-NE1 3.83Å; W553-W571 AromaticContact NE1-CD1 3.78Å; W553-W571 AromaticContact NE1-CD2 3.36Å; W553-W571 AromaticContact NE1-CE2 3.17Å; W553-W571 AromaticContact NE1-CE3 3.86Å; W553-W571 AromaticContact NE1-CG 3.78Å; W553-W571 AromaticContact NE1-CZ2 3.54Å; W553-W571 AromaticContact NE1-NE1 3.4Å; W553-W571 PolarHBondContact O-NE1 3.18Å; W553-F606 AromaticContact CD1-CD1 3.84Å; W553-F606 AromaticContact CD2-CD1 3.48Å; W553-F606 HydrophobicContact CD2-CD1 3.48Å; W553-F606 VanDerWaalsContact CD2-CD1 3.48Å; W553-F606 AromaticContact CD2-CE1 3.51Å; W553-F606 HydrophobicContact CD2-CE1 3.51Å; W553-F606 HydrophobicContact CD2-CG 4.48Å; W553-F606 AromaticContact CE2-CD1 3.32Å; W553-F606 AromaticContact CE2-CE1 3.52Å; W553-F606 AromaticContact CE2-CG 3.92Å; W553-F606 HydrophobicContact CE3-CD1 4.06Å; W553-F606 AromaticContact CE3-CE1 3.58Å; W553-F606 HydrophobicContact CE3-CE1 3.58Å; W553-F606 HydrophobicContact CE3-CZ 4.44Å; W553-F606 AromaticContact CG-CD1 3.79Å; W553-F606 HydrophobicContact CG-CD1 3.79Å; W553-F606 HydrophobicContact CG-CE1 4.24Å; W553-F606 HydrophobicContact CH2-CD1 4.28Å; W553-F606 AromaticContact CH2-CE1 3.63Å; W553-F606 HydrophobicContact CH2-CE1 3.63Å; W553-F606 HydrophobicContact CH2-CE2 4.45Å; W553-F606 AromaticContact CH2-CZ 3.73Å; W553-F606 HydrophobicContact CH2-CZ 3.73Å; W553-F606 AromaticContact CZ2-CD1 3.77Å; W553-F606 HydrophobicContact CZ2-CD1 3.77Å; W553-F606 HydrophobicContact CZ2-CD2 4.4Å; W553-F606 AromaticContact CZ2-CE1 3.59Å; W553-F606 HydrophobicContact CZ2-CE1 3.59Å; W553-F606 HydrophobicContact CZ2-CE2 4.25Å; W553-F606 HydrophobicContact CZ2-CG 4.17Å; W553-F606 AromaticContact CZ2-CZ 3.85Å; W553-F606 HydrophobicContact CZ2-CZ 3.85Å; W553-F606 HydrophobicContact CZ3-CD1 4.42Å; W553-F606 AromaticContact CZ3-CE1 3.63Å; W553-F606 HydrophobicContact CZ3-CE1 3.63Å; W553-F606 HydrophobicContact CZ3-CZ 4.04Å; W553-F606 AromaticContact NE1-CD1 3.55Å; W553-F606 AromaticContact NE1-CG 3.88Å; W553-T607 HydrophobicContact CB-CG2 4.19Å; W553-V619 HydrophobicContact CZ2-CG1 4.13Å; W553-P621 HydrophobicContact CH2-CB 3.9Å; W553-P621 HydrophobicContact CZ3-CB 4.4Å; W553-E626 HydrophobicContact CH2-CB 3.84Å; W553-E626 HydrophobicContact CH2-CG 3.97Å; W553-E626 HydrophobicContact CZ3-CB 3.82Å; W553-E626 HydrophobicContact CZ3-CG 4.01Å; W553-F629 HydrophobicContact CB-CE1 3.95Å; W553-F629 HydrophobicContact CB-CZ 4.36Å; W553-F629 HydrophobicContact CD2-CD1 4.48Å; W553-F629 AromaticContact CE3-CD1 3.47Å; W553-F629 HydrophobicContact CE3-CD1 3.47Å; W553-F629 VanDerWaalsContact CE3-CD1 3.47Å; W553-F629 AromaticContact CE3-CE1 3.89Å; W553-F629 HydrophobicContact CE3-CE1 3.89Å; W553-F629 HydrophobicContact CE3-CG 4.33Å; W553-F629 HydrophobicContact CZ3-CD1 4.03Å
554Y91.8Very high88.6Confident4 Ų441.7 Ų41.72%0.01621%0.205CC..Hα-helixtrans-66.7-42.2172.4-175.8-111.1000112.6A418 F419 Q421 A550 C551 G552 I556 G557 K558 W571 L599A418-Y554 HydrophobicContact CB-CD1 4.26Å; A418-Y554 WeakPolarHBondContact O-CE1 3.5Å; F419-Y554 AromaticContact CD1-CD1 3.62Å; F419-Y554 HydrophobicContact CD1-CD1 3.62Å; F419-Y554 AromaticContact CD1-CE1 3.68Å; F419-Y554 HydrophobicContact CD1-CE1 3.68Å; F419-Y554 HydrophobicContact CD1-CG 4.07Å; F419-Y554 HydrophobicContact CD2-CD1 4.42Å; F419-Y554 AromaticContact CE1-CD1 3.43Å; F419-Y554 HydrophobicContact CE1-CD1 3.43Å; F419-Y554 VanDerWaalsContact CE1-CD1 3.43Å; F419-Y554 AromaticContact CE1-CD2 3.78Å; F419-Y554 HydrophobicContact CE1-CD2 3.78Å; F419-Y554 AromaticContact CE1-CE1 3.86Å; F419-Y554 HydrophobicContact CE1-CE1 3.86Å; F419-Y554 HydrophobicContact CE1-CE2 4.2Å; F419-Y554 AromaticContact CE1-CG 3.38Å; F419-Y554 HydrophobicContact CE1-CG 3.38Å; F419-Y554 HydrophobicContact CE2-CD1 4.26Å; F419-Y554 HydrophobicContact CE2-CG 4.41Å; F419-Y554 HydrophobicContact CG-CD1 4.12Å; F419-Y554 HydrophobicContact CG-CE1 4.3Å; F419-Y554 AromaticContact CZ-CD1 3.77Å; F419-Y554 HydrophobicContact CZ-CD1 3.77Å; F419-Y554 HydrophobicContact CZ-CD2 4.3Å; F419-Y554 AromaticContact CZ-CG 3.58Å; F419-Y554 HydrophobicContact CZ-CG 3.58Å; Q421-Y554 PolarHBondContact NE2-OH 3.33Å; A550-Y554 PolarHBondContact O-N 3.22Å; A550-Y554 VanDerWaalsContact O-N 3.11Å; C551-Y554 PolarHBondContact O-N 2.84Å; G552-Y554 VanDerWaalsContact C-N 3.34Å; G552-Y554 PolarHBondContact O-N 3.24Å; Y554-I556 VanDerWaalsContact C-N 3.35Å; Y554-I556 PolarHBondContact O-N 2.78Å; Y554-G557 PolarHBondContact O-N 2.78Å; Y554-K558 HydrophobicContact CE1-CD 4.07Å; Y554-K558 WeakPolarHBondContact O-CB 3.37Å; Y554-K558 PolarHBondContact O-N 2.77Å; Y554-W571 HydrophobicContact CD2-CZ2 4.34Å; Y554-L599 HydrophobicContact CE2-CB 4.24Å; Y554-L599 HydrophobicContact CE2-CD1 3.97Å; Y554-L599 HydrophobicContact CE2-CD2 4.39Å; Y554-L599 HydrophobicContact CE2-CG 4.44Å
555C88.9Confident88.1Confident56 Ų5648.1 Ų48.138%0.37824%0.237SC..Hα-helixtrans-60.7-41.6175.4-69.50000112.6C551 G552 K558 E559C551-C555 PolarHBondContact O-N 3.46Å; C551-C555 PolarHBondContact O-SG 2.88Å; C551-C555 VanDerWaalsContact O-SG 3.36Å; G552-C555 PolarHBondContact O-N 3.02Å; C555-K558 PolarHBondContact O-N 3.37Å; C555-E559 PolarHBondContact O-N 2.98Å; C555-E559 VanDerWaalsContact O-N 3.13Å
556I91.3Very high87.7Confident39 Ų3948.5 Ų48.520%0.224%0.24CC..Hα-helixtrans-63.6-50.7175.9-68.2163.9000110.6G552 Y554 K558 E559 E560 E626 F629G552-I556 WeakPolarHBondContact O-CG1 3.31Å; G552-I556 PolarHBondContact O-N 3.36Å; Y554-I556 VanDerWaalsContact C-N 3.35Å; Y554-I556 PolarHBondContact O-N 2.78Å; I556-K558 VanDerWaalsContact C-N 3.29Å; I556-K558 PolarHBondContact O-N 2.89Å; I556-E559 PolarHBondContact O-N 3.47Å; I556-E559 VanDerWaalsContact O-N 3.08Å; I556-E560 HydrophobicContact CG2-CG 4.26Å; I556-E560 WeakPolarHBondContact O-CG 3.38Å; I556-E560 PolarHBondContact O-N 2.84Å; I556-E626 HydrophobicContact CG2-CG 4Å; I556-F629 HydrophobicContact CD1-CB 3.65Å; I556-F629 HydrophobicContact CD1-CD1 4.37Å; I556-F629 HydrophobicContact CD1-CD2 3.34Å; I556-F629 HydrophobicContact CD1-CE2 4.06Å; I556-F629 HydrophobicContact CD1-CG 3.52Å
557G89.2Confident87Confident0 Ų051.5 Ų51.50%025%0.251CS..Hα-helixtrans-59.6-38177.300000113W553 Y554 E559 F561W553-G557 PolarHBondContact O-N 3.45Å; Y554-G557 PolarHBondContact O-N 2.78Å; G557-E559 VanDerWaalsContact C-N 3.3Å; G557-E559 PolarHBondContact O-N 3.14Å; G557-F561 WeakPolarHBondContact O-CB 3.48Å; G557-F561 PolarHBondContact O-N 3.23Å
558K84.9Confident86.2Confident68 Ų6856.4 Ų56.430%0.29627%0.274SS..Hα-helixtrans-65.5-28.6176.2-174.7-178.9-176.5-178.40113A418 Y554 C555 I556 K562A418-K558 PolarHBondContact O-NZ 3.31Å; Y554-K558 HydrophobicContact CE1-CD 4.07Å; Y554-K558 WeakPolarHBondContact O-CB 3.37Å; Y554-K558 PolarHBondContact O-N 2.77Å; C555-K558 PolarHBondContact O-N 3.37Å; I556-K558 VanDerWaalsContact C-N 3.29Å; I556-K558 PolarHBondContact O-N 2.89Å; K558-K562 WeakPolarHBondContact O-CG 3.42Å
559E85.6Confident85.8Confident108 Ų10860.4 Ų60.451%0.50529%0.29SS..Hα-helixtrans-86.3-45.9177.7-153.561.7-137.200111.8C555 I556 G557 F561 K562 S563C555-E559 PolarHBondContact O-N 2.98Å; C555-E559 VanDerWaalsContact O-N 3.13Å; I556-E559 PolarHBondContact O-N 3.47Å; I556-E559 VanDerWaalsContact O-N 3.08Å; G557-E559 VanDerWaalsContact C-N 3.3Å; G557-E559 PolarHBondContact O-N 3.14Å; E559-F561 PolarHBondContact O-N 3.24Å; E559-K562 WeakPolarHBondContact O-CB 3.45Å; E559-K562 PolarHBondContact O-N 3.35Å; E559-K562 WeakPolarHBondContact OE1-CD 3.38Å; E559-K562 WeakPolarHBondContact OE1-CE 3.29Å; E559-K562 IonicContact OE1-NZ 3.93Å; E559-K562 PolarHBondContact OE1-NZ 2.99Å; E559-K562 WeakPolarHBondContact OE2-CE 3.49Å; E559-K562 IonicContact OE2-NZ 3.75Å; E559-K562 PolarHBondContact OE2-NZ 3.05Å; E559-S563 PolarHBondContact O-N 3.48Å
560E87Confident85.5Confident18 Ų1858.7 Ų58.78%0.08428%0.283CS..Hα-helixtrans-57.4-36.7173.8-68.7-63.2162.400111.9I556 K562 S563 T566 R567 T623 N625I556-E560 HydrophobicContact CG2-CG 4.26Å; I556-E560 WeakPolarHBondContact O-CG 3.38Å; I556-E560 PolarHBondContact O-N 2.84Å; E560-K562 VanDerWaalsContact C-N 3.28Å; E560-K562 PolarHBondContact O-N 3.42Å; E560-S563 WeakPolarHBondContact O-CB 3.3Å; E560-S563 PolarHBondContact O-N 3.16Å; E560-S563 VanDerWaalsContact O-N 3.13Å; E560-T566 PolarHBondContact O-OG1 3.36Å; E560-T566 WeakPolarHBondContact OE2-CB 3.1Å; E560-T566 PolarHBondContact OE2-OG1 3.05Å; E560-R567 PolarHBondContact O-N 3.42Å; E560-T623 HydrophobicContact CB-CG2 4.49Å; E560-T623 HydrophobicContact CG-CG2 4.22Å; E560-N625 WeakPolarHBondContact OE1-CB 3.28Å; E560-N625 PolarHBondContact OE1-ND2 3.14Å
561F81.3Confident85.2Confident44 Ų4458.8 Ų58.819%0.19328%0.283CS..THydrogen-bonded Turntrans-67.8-21.3177.5-166.7-92.5000114.2G557 E559 R567 L572 Y573 L586G557-F561 WeakPolarHBondContact O-CB 3.48Å; G557-F561 PolarHBondContact O-N 3.23Å; E559-F561 PolarHBondContact O-N 3.24Å; F561-R567 HydrophobicContact CD2-CG 4.03Å; F561-R567 HydrophobicContact CE2-CG 4.19Å; F561-R567 HydrophobicContact CG-CG 4.33Å; F561-R567 WeakPolarHBondContact O-CG 3.37Å; F561-L572 HydrophobicContact CB-CD2 3.99Å; F561-L572 HydrophobicContact CD2-CB 4.38Å; F561-L572 HydrophobicContact CD2-CD2 4.12Å; F561-L572 HydrophobicContact CD2-CG 4.19Å; F561-L572 HydrophobicContact CG-CD2 4.02Å; F561-Y573 HydrophobicContact CE2-CD2 4.23Å; F561-L586 HydrophobicContact CE2-CD2 3.93Å; F561-L586 HydrophobicContact CZ-CB 4.43Å; F561-L586 HydrophobicContact CZ-CD2 3.98Å; F561-L586 VanDerWaalsContact CZ-O 3.25Å; F561-L586 WeakPolarHBondContact CZ-O 3.39Å
562K80.3Confident84.9Confident126 Ų12659.4 Ų59.455%0.54829%0.286SS..THydrogen-bonded Turntrans-76.8-32.6170.9-58.6179-156.5162.30112K558 E559 E560 K564K558-K562 WeakPolarHBondContact O-CG 3.42Å; E559-K562 WeakPolarHBondContact O-CB 3.45Å; E559-K562 PolarHBondContact O-N 3.35Å; E559-K562 WeakPolarHBondContact OE1-CD 3.38Å; E559-K562 WeakPolarHBondContact OE1-CE 3.29Å; E559-K562 IonicContact OE1-NZ 3.93Å; E559-K562 PolarHBondContact OE1-NZ 2.99Å; E559-K562 WeakPolarHBondContact OE2-CE 3.49Å; E559-K562 IonicContact OE2-NZ 3.75Å; E559-K562 PolarHBondContact OE2-NZ 3.05Å; E560-K562 VanDerWaalsContact C-N 3.28Å; E560-K562 PolarHBondContact O-N 3.42Å; K562-K564 PolarHBondContact O-N 2.99Å
563S80.8Confident84.5Confident46 Ų4659.2 Ų59.232%0.32228%0.278SS..SBendtrans-69.4114.9-177.3164.80000110E559 E560 I565 T566 R567E559-S563 PolarHBondContact O-N 3.48Å; E560-S563 WeakPolarHBondContact O-CB 3.3Å; E560-S563 PolarHBondContact O-N 3.16Å; E560-S563 VanDerWaalsContact O-N 3.13Å; S563-I565 PolarHBondContact O-N 2.66Å; S563-T566 WeakPolarHBondContact CB-OG1 3.47Å; S563-T566 PolarHBondContact O-N 3.23Å; S563-T566 PolarHBondContact OG-N 3.27Å; S563-T566 PolarHBondContact OG-OG1 3.05Å; S563-R567 VanDerWaalsContact O-CB 3.28Å; S563-R567 WeakPolarHBondContact O-CB 3.35Å; S563-R567 PolarHBondContact O-N 3.26Å
564K73.6Confident84Confident189 Ų18961.5 Ų61.582%0.82229%0.289SS*.THydrogen-bonded Turntrans-56.4-23.7-179.1-66.6-175.3-179.6179.60113.8K562K562-K564 PolarHBondContact O-N 2.99Å
565I78.5Confident83.7Confident142 Ų14262 Ų6273%0.72829%0.292SS*.THydrogen-bonded Turntrans-85.5-38-177.3-58.6173.8000111.4S563S563-I565 PolarHBondContact O-N 2.66Å
566T80.8Confident83.2Confident34 Ų3459.4 Ų59.421%0.20927%0.274CS..THydrogen-bonded Turntrans-105.6-12.4-172.244.40000114.4E560 S563 E568 Y569 S570 T623E560-T566 PolarHBondContact O-OG1 3.36Å; E560-T566 WeakPolarHBondContact OE2-CB 3.1Å; E560-T566 PolarHBondContact OE2-OG1 3.05Å; S563-T566 WeakPolarHBondContact CB-OG1 3.47Å; S563-T566 PolarHBondContact O-N 3.23Å; S563-T566 PolarHBondContact OG-N 3.27Å; S563-T566 PolarHBondContact OG-OG1 3.05Å; T566-E568 VanDerWaalsContact C-N 3.29Å; T566-E568 PolarHBondContact O-N 2.89Å; T566-Y569 PolarHBondContact O-N 3.22Å; T566-S570 PolarHBondContact O-N 2.66Å; T566-T623 HydrophobicContact CG2-CG2 4.38Å
567R78Confident82.6Confident62 Ų6261 Ų6123%0.23428%0.281CS..THydrogen-bonded Turntrans-45.9-46.3177.6178.6-172.167.6174.71.2114.2E560 F561 S563 Y569 Y573E560-R567 PolarHBondContact O-N 3.42Å; F561-R567 HydrophobicContact CD2-CG 4.03Å; F561-R567 HydrophobicContact CE2-CG 4.19Å; F561-R567 HydrophobicContact CG-CG 4.33Å; F561-R567 WeakPolarHBondContact O-CG 3.37Å; S563-R567 VanDerWaalsContact O-CB 3.28Å; S563-R567 WeakPolarHBondContact O-CB 3.35Å; S563-R567 PolarHBondContact O-N 3.26Å; R567-Y569 VanDerWaalsContact C-N 3.26Å; R567-Y569 PolarHBondContact O-N 3.24Å; R567-Y573 WeakPolarHBondContact O-CB 3.44Å
568E79Confident82.1Confident110 Ų11066.6 Ų66.651%0.51430%0.302SS..THydrogen-bonded Turntrans-75.6-15-174.7-72.5166.7-156.100113.3T566 Y573T566-E568 VanDerWaalsContact C-N 3.29Å; T566-E568 PolarHBondContact O-N 2.89Å; E568-Y573 WeakPolarHBondContact O-CD1 3.37Å
569Y83.8Confident81.7Confident157 Ų15768.4 Ų68.462%0.61631%0.313SS*.THydrogen-bonded Turntrans-100.8-22.3177.1-60.9-71.3000113.3T566 R567 N622T566-Y569 PolarHBondContact O-N 3.22Å; R567-Y569 VanDerWaalsContact C-N 3.26Å; R567-Y569 PolarHBondContact O-N 3.24Å; Y569-N622 WeakPolarHBondContact O-CB 3.49Å; Y569-N622 PolarHBondContact O-ND2 2.86Å
570S86.9Confident80.8Confident0 Ų071.8 Ų71.80%033%0.328CS..SBendtrans-62.5144.8-174.2-177.60000112.7T566 L572 Y573 E574 E626T566-S570 PolarHBondContact O-N 2.66Å; S570-L572 PolarHBondContact O-N 3.38Å; S570-Y573 PolarHBondContact O-N 3.44Å; S570-E574 PolarHBondContact O-N 3.26Å; S570-E626 VanDerWaalsContact CA-OE1 3.23Å; S570-E626 WeakPolarHBondContact CA-OE1 3.49Å; S570-E626 WeakPolarHBondContact CB-OE1 3.19Å; S570-E626 PolarHBondContact OG-OE1 2.82Å
571W90.1Very high79.6Confident3 Ų373 Ų731%0.01134%0.335CS..Hα-helixtrans-52.5-29179.579.8-96.7000113.3W553 Y554 L575 S603 V619 E626W553-W571 AromaticContact CD1-CE2 3.57Å; W553-W571 AromaticContact CD1-CZ2 3.5Å; W553-W571 VanDerWaalsContact CD1-CZ2 3.5Å; W553-W571 AromaticContact CD1-NE1 3.81Å; W553-W571 AromaticContact CD2-NE1 3.86Å; W553-W571 AromaticContact CE2-CD1 3.48Å; W553-W571 VanDerWaalsContact CE2-CD1 3.48Å; W553-W571 AromaticContact CE2-CD2 3.85Å; W553-W571 AromaticContact CE2-CE2 3.72Å; W553-W571 AromaticContact CE2-CG 3.73Å; W553-W571 AromaticContact CE2-NE1 3.44Å; W553-W571 HydrophobicContact CG-CZ2 4.38Å; W553-W571 AromaticContact CH2-CD1 3.93Å; W553-W571 HydrophobicContact CH2-CG 4.34Å; W553-W571 HydrophobicContact CZ2-CB 3.83Å; W553-W571 AromaticContact CZ2-CD1 3.34Å; W553-W571 HydrophobicContact CZ2-CD2 4.05Å; W553-W571 AromaticContact CZ2-CG 3.46Å; W553-W571 HydrophobicContact CZ2-CG 3.46Å; W553-W571 VanDerWaalsContact CZ2-CG 3.46Å; W553-W571 AromaticContact CZ2-NE1 3.83Å; W553-W571 AromaticContact NE1-CD1 3.78Å; W553-W571 AromaticContact NE1-CD2 3.36Å; W553-W571 AromaticContact NE1-CE2 3.17Å; W553-W571 AromaticContact NE1-CE3 3.86Å; W553-W571 AromaticContact NE1-CG 3.78Å; W553-W571 AromaticContact NE1-CZ2 3.54Å; W553-W571 AromaticContact NE1-NE1 3.4Å; W553-W571 PolarHBondContact O-NE1 3.18Å; Y554-W571 HydrophobicContact CD2-CZ2 4.34Å; W571-L575 HydrophobicContact CE3-CB 4.44Å; W571-L575 HydrophobicContact CE3-CD2 4.36Å; W571-L575 HydrophobicContact CZ3-CD2 3.74Å; W571-L575 VanDerWaalsContact O-CB 3.31Å; W571-L575 WeakPolarHBondContact O-CB 3.35Å; W571-L575 PolarHBondContact O-N 3.14Å; W571-S603 WeakPolarHBondContact CH2-OG 3.47Å; W571-V619 HydrophobicContact CB-CG1 4.27Å; W571-V619 HydrophobicContact CD2-CG1 4.21Å; W571-V619 HydrophobicContact CE3-CG1 3.77Å; W571-V619 HydrophobicContact CG-CG1 4.44Å; W571-V619 HydrophobicContact CZ3-CG1 4.48Å; W571-E626 PolarHBondContact N-OE1 3.32Å
572L86.6Confident78.2Confident18 Ų1875.8 Ų75.89%0.09435%0.352CS..Hα-helixtrans-70.5-34.7179.4-177.360.2000112.7F561 S570 G576 L599F561-L572 HydrophobicContact CB-CD2 3.99Å; F561-L572 HydrophobicContact CD2-CB 4.38Å; F561-L572 HydrophobicContact CD2-CD2 4.12Å; F561-L572 HydrophobicContact CD2-CG 4.19Å; F561-L572 HydrophobicContact CG-CD2 4.02Å; S570-L572 PolarHBondContact O-N 3.38Å; L572-G576 PolarHBondContact O-N 3.15Å; L572-L599 HydrophobicContact CD1-CD2 3.42Å; L572-L599 VanDerWaalsContact CD1-CD2 3.42Å
573Y82.1Confident76.9Confident19 Ų1977.4 Ų77.48%0.07536%0.355CS..Hα-helixtrans-74.6-46174.2-179.9-87.9000110.5F561 R567 E568 S570 L575 G576 E577 R583 L586F561-Y573 HydrophobicContact CE2-CD2 4.23Å; R567-Y573 WeakPolarHBondContact O-CB 3.44Å; E568-Y573 WeakPolarHBondContact O-CD1 3.37Å; S570-Y573 PolarHBondContact O-N 3.44Å; Y573-L575 VanDerWaalsContact C-N 3.33Å; Y573-L575 PolarHBondContact O-N 3.14Å; Y573-G576 WeakPolarHBondContact O-CA 3.49Å; Y573-G576 PolarHBondContact O-N 3.43Å; Y573-E577 HydrophobicContact CD1-CG 4.39Å; Y573-E577 HydrophobicContact CE1-CG 3.79Å; Y573-E577 WeakPolarHBondContact CE1-OE2 3.12Å; Y573-E577 PolarHBondContact O-N 3.28Å; Y573-E577 VanDerWaalsContact O-N 3.11Å; Y573-E577 PolarHBondContact OH-OE1 3.1Å; Y573-R583 PolarHBondContact OH-NE 2.98Å; Y573-L586 HydrophobicContact CD2-CB 4.11Å; Y573-L586 HydrophobicContact CD2-CD1 4.34Å; Y573-L586 HydrophobicContact CD2-CD2 4.27Å; Y573-L586 HydrophobicContact CD2-CG 4.48Å; Y573-L586 HydrophobicContact CE2-CB 3.98Å; Y573-L586 HydrophobicContact CE2-CD1 4.16Å
574E84.2Confident75.3Confident49 Ų4979.6 Ų79.623%0.22937%0.37CS..Hα-helixtrans-59.5-41.3177.7-164.3-167.6155.800112.1S570 G576 E577 R578 N622S570-E574 PolarHBondContact O-N 3.26Å; E574-G576 VanDerWaalsContact C-N 3.28Å; E574-G576 PolarHBondContact O-N 3.35Å; E574-E577 PolarHBondContact O-N 2.93Å; E574-R578 WeakPolarHBondContact O-CB 3.47Å; E574-R578 WeakPolarHBondContact O-CG 3.46Å; E574-R578 PolarHBondContact O-N 3.24Å; E574-R578 IonicContact OE1-CZ 2.62Å; E574-R578 IonicContact OE1-NE 2.93Å; E574-R578 PolarHBondContact OE1-NE 3.42Å; E574-R578 IonicContact OE1-NH2 3.87Å; E574-R578 PolarHBondContact OE1-NH2 2.85Å; E574-N622 PolarHBondContact OE2-ND2 3.45Å
575L85.4Confident74.2Confident15 Ų1577.2 Ų77.28%0.07936%0.357CS..Hα-helixtrans-61.5-36.8173.2179.263.3000112W571 Y573 M579 L594 S602W571-L575 HydrophobicContact CE3-CB 4.44Å; W571-L575 HydrophobicContact CE3-CD2 4.36Å; W571-L575 HydrophobicContact CZ3-CD2 3.74Å; W571-L575 VanDerWaalsContact O-CB 3.31Å; W571-L575 WeakPolarHBondContact O-CB 3.35Å; W571-L575 PolarHBondContact O-N 3.14Å; Y573-L575 VanDerWaalsContact C-N 3.33Å; Y573-L575 PolarHBondContact O-N 3.14Å; L575-M579 HydrophobicContact CD1-CG 3.79Å; L575-M579 HydrophobicContact CG-CG 4.2Å; L575-M579 VanDerWaalsContact O-CB 3.24Å; L575-M579 WeakPolarHBondContact O-CB 3.47Å; L575-M579 WeakPolarHBondContact O-CG 3.26Å; L575-M579 PolarHBondContact O-N 2.58Å; L575-L594 HydrophobicContact CD2-CD2 3.9Å; L575-L594 HydrophobicContact CG-CD2 3.91Å; L575-S602 WeakPolarHBondContact CD2-OG 3.01Å
576G79Confident73.1Confident0 Ų071 Ų710%033%0.325CS..Hα-helixtrans-63-43.7176.600000112.9L572 Y573 E574 M579 Q580 L581L572-G576 PolarHBondContact O-N 3.15Å; Y573-G576 WeakPolarHBondContact O-CA 3.49Å; Y573-G576 PolarHBondContact O-N 3.43Å; E574-G576 VanDerWaalsContact C-N 3.28Å; E574-G576 PolarHBondContact O-N 3.35Å; G576-M579 PolarHBondContact O-N 2.92Å; G576-Q580 PolarHBondContact O-N 3.09Å; G576-L581 PolarHBondContact O-N 2.73Å
577E78.5Confident71.6Confident73 Ų7372.3 Ų72.334%0.34133%0.333SS..Hα-helixtrans-70.1-43.2175.6-62.4-159.2136.600112Y573 E574 M579 Q580 R583 L586Y573-E577 HydrophobicContact CD1-CG 4.39Å; Y573-E577 HydrophobicContact CE1-CG 3.79Å; Y573-E577 WeakPolarHBondContact CE1-OE2 3.12Å; Y573-E577 PolarHBondContact O-N 3.28Å; Y573-E577 VanDerWaalsContact O-N 3.11Å; Y573-E577 PolarHBondContact OH-OE1 3.1Å; E574-E577 PolarHBondContact O-N 2.93Å; E577-M579 PolarHBondContact O-N 2.85Å; E577-Q580 PolarHBondContact O-N 3.14Å; E577-R583 IonicContact OE1-CZ 2.69Å; E577-R583 IonicContact OE1-NE 3.28Å; E577-R583 PolarHBondContact OE1-NE 3.48Å; E577-R583 IonicContact OE1-NH2 2.62Å; E577-R583 PolarHBondContact OE1-NH2 2.91Å; E577-R583 IonicContact OE2-NH2 3.15Å; E577-L586 HydrophobicContact CG-CD1 4.47Å
578R79.2Confident70.2Confident118 Ų11874.5 Ų74.545%0.44535%0.353SS..Hα-helixtrans-59.1-32.5174.4-73.9176.2178.3-126.720.8112.7E574 Q580 G617 N618E574-R578 WeakPolarHBondContact O-CB 3.47Å; E574-R578 WeakPolarHBondContact O-CG 3.46Å; E574-R578 PolarHBondContact O-N 3.24Å; E574-R578 IonicContact OE1-CZ 2.62Å; E574-R578 IonicContact OE1-NE 2.93Å; E574-R578 PolarHBondContact OE1-NE 3.42Å; E574-R578 IonicContact OE1-NH2 3.87Å; E574-R578 PolarHBondContact OE1-NH2 2.85Å; R578-Q580 VanDerWaalsContact C-N 3.28Å; R578-Q580 PolarHBondContact O-N 3.08Å; R578-G617 PolarHBondContact NH2-O 3.05Å; R578-N618 PolarHBondContact NH1-O 2.91Å
579M75.5Confident68.6Low105 Ų10577.5 Ų77.552%0.51737%0.373SS..THydrogen-bonded Turntrans-85.910176.9-68.1-75.5-69.400113.7L575 G576 E577 L581L575-M579 HydrophobicContact CD1-CG 3.79Å; L575-M579 HydrophobicContact CG-CG 4.2Å; L575-M579 VanDerWaalsContact O-CB 3.24Å; L575-M579 WeakPolarHBondContact O-CB 3.47Å; L575-M579 WeakPolarHBondContact O-CG 3.26Å; L575-M579 PolarHBondContact O-N 2.58Å; G576-M579 PolarHBondContact O-N 2.92Å; E577-M579 PolarHBondContact O-N 2.85Å; M579-L581 HydrophobicContact CB-CD1 3.66Å; M579-L581 PolarHBondContact O-N 3.19Å
580Q65.6Low67Low179 Ų17977.5 Ų77.584%0.83638%0.376SS*.THydrogen-bonded Turntrans57.725.4177.8-57.4-174.5-6.700115.3G576 E577 R578G576-Q580 PolarHBondContact O-N 3.09Å; E577-Q580 PolarHBondContact O-N 3.14Å; R578-Q580 VanDerWaalsContact C-N 3.28Å; R578-Q580 PolarHBondContact O-N 3.08Å
581L62.2Low65.3Low43 Ų4381.1 Ų81.123%0.22540%0.398CS..  trans-75.6129170.4-75.8103.2000110G576 M579 R583 Y585 G593 L594G576-L581 PolarHBondContact O-N 2.73Å; M579-L581 HydrophobicContact CB-CD1 3.66Å; M579-L581 PolarHBondContact O-N 3.19Å; L581-R583 PolarHBondContact O-N 3.26Å; L581-Y585 HydrophobicContact CB-CD2 4.4Å; L581-Y585 HydrophobicContact CD2-CD2 4.47Å; L581-G593 VanDerWaalsContact CD2-C 3.48Å; L581-G593 WeakPolarHBondContact CD2-O 3.4Å; L581-L594 HydrophobicContact CD1-CD1 4.02Å; L581-L594 HydrophobicContact CD1-CG 4.09Å; L581-L594 HydrophobicContact CD2-CD1 4.29Å
582N52.9Low63.4Low104 Ų10486.4 Ų86.456%0.55643%0.427SS*.  trans-48.8133.1178.4-76.8-25.7000111.5S584 Y585N582-S584 PolarHBondContact O-N 3.3Å; N582-Y585 HydrophobicContact CB-CD2 3.78Å; N582-Y585 HydrophobicContact CB-CE2 3.73Å; N582-Y585 WeakPolarHBondContact O-CB 3.45Å; N582-Y585 WeakPolarHBondContact O-CD2 3.44Å; N582-Y585 PolarHBondContact O-N 2.81Å
583R53Low61.9Low160 Ų16087 Ų8760%0.60444%0.437SS*.G310 helixtrans-53-23.6-178-166.6173.4-80.1178-9.8113.9Y573 E577 L581 Y585 L586 T587Y573-R583 PolarHBondContact OH-NE 2.98Å; E577-R583 IonicContact OE1-CZ 2.69Å; E577-R583 IonicContact OE1-NE 3.28Å; E577-R583 PolarHBondContact OE1-NE 3.48Å; E577-R583 IonicContact OE1-NH2 2.62Å; E577-R583 PolarHBondContact OE1-NH2 2.91Å; E577-R583 IonicContact OE2-NH2 3.15Å; L581-R583 PolarHBondContact O-N 3.26Å; R583-Y585 PolarHBondContact O-N 3.27Å; R583-L586 PolarHBondContact O-N 3.31Å; R583-T587 PolarHBondContact O-OG1 3.23Å
584S47.1Very low61.1Low91 Ų9187 Ų8764%0.63644%0.438SS*.G310 helixtrans-66.5-26.7172.9-49.20000114.8N582 L586 T587N582-S584 PolarHBondContact O-N 3.3Å; S584-L586 VanDerWaalsContact C-N 3.25Å; S584-L586 PolarHBondContact O-N 3.02Å; S584-T587 PolarHBondContact O-OG1 3.43Å
585Y51Low60.6Low139 Ų13989.1 Ų89.155%0.54545%0.454SS..G310 helixtrans-76.7-12.5177.2-58.8-50.8000113.2L581 N582 R583L581-Y585 HydrophobicContact CB-CD2 4.4Å; L581-Y585 HydrophobicContact CD2-CD2 4.47Å; N582-Y585 HydrophobicContact CB-CD2 3.78Å; N582-Y585 HydrophobicContact CB-CE2 3.73Å; N582-Y585 WeakPolarHBondContact O-CB 3.45Å; N582-Y585 WeakPolarHBondContact O-CD2 3.44Å; N582-Y585 PolarHBondContact O-N 2.81Å; R583-Y585 PolarHBondContact O-N 3.27Å
586L53.6Low60.2Low12 Ų1293.6 Ų93.66%0.06347%0.47CS..G310 helixtrans-99.5-9.4-177.8-72.6152000113.1F561 Y573 E577 R583 S584F561-L586 HydrophobicContact CE2-CD2 3.93Å; F561-L586 HydrophobicContact CZ-CB 4.43Å; F561-L586 HydrophobicContact CZ-CD2 3.98Å; F561-L586 VanDerWaalsContact CZ-O 3.25Å; F561-L586 WeakPolarHBondContact CZ-O 3.39Å; Y573-L586 HydrophobicContact CD2-CB 4.11Å; Y573-L586 HydrophobicContact CD2-CD1 4.34Å; Y573-L586 HydrophobicContact CD2-CD2 4.27Å; Y573-L586 HydrophobicContact CD2-CG 4.48Å; Y573-L586 HydrophobicContact CE2-CB 3.98Å; Y573-L586 HydrophobicContact CE2-CD1 4.16Å; E577-L586 HydrophobicContact CG-CD1 4.47Å; R583-L586 PolarHBondContact O-N 3.31Å; S584-L586 VanDerWaalsContact C-N 3.25Å; S584-L586 PolarHBondContact O-N 3.02Å
587T51.2Low60.5Low61 Ų61103.5 Ų103.537%0.37451%0.508SS..THydrogen-bonded Turntrans-113.5-10.9-167.649.10000115.5R583 S584R583-T587 PolarHBondContact O-OG1 3.23Å; S584-T587 PolarHBondContact O-OG1 3.43Å
588V47.5Very low60.8Low109 Ų109101.1 Ų101.166%0.66150%0.5SS*.SBendtrans-131.896.9-175-173.20000113.1K590V588-K590 VanDerWaalsContact C-N 3.27Å; V588-K590 PolarHBondContact O-N 2.95Å
589N46.2Very low61.2Low173 Ų17395.8 Ų95.893%0.92548%0.481SS*.SBendtrans45.213.8152.9-77.48000121.9
590K49.5Very low62Low156 Ų15693.2 Ų93.268%0.67847%0.466SS*.  trans-136.1124.7165.7-86.3-176.7176.6173.50111.7V588 N592V588-K590 VanDerWaalsContact C-N 3.27Å; V588-K590 PolarHBondContact O-N 2.95Å; K590-N592 HydrophobicContact CB-CB 4.24Å; K590-N592 PolarHBondContact O-N 2.9Å
591T50.2Low63.3Low77 Ų7788.6 Ų88.647%0.47245%0.45SS..THydrogen-bonded Turntrans-71.220.6173.943.30000113.9Q421Q421-T591 PolarHBondContact OE1-OG1 2.99Å
592N51.3Low64.7Low114 Ų11487.6 Ų87.661%0.6145%0.446SS*.THydrogen-bonded Turntrans-94.4-1.4-163.6-65.540.9000113.9K590K590-N592 HydrophobicContact CB-CB 4.24Å; K590-N592 PolarHBondContact O-N 2.9Å
593G55.6Low66.6Low29 Ų2982.7 Ų82.730%0.29942%0.42SS..SBendtrans-64.9-56.7-179.300000112.7L581L581-G593 VanDerWaalsContact CD2-C 3.48Å; L581-G593 WeakPolarHBondContact CD2-O 3.4Å
594L64.5Low68.6Low19 Ų1977.2 Ų77.210%0.09940%0.403CS..SBendtrans-88.9135.1-178.6-75.175.6000110.5L575 L581 R596 L599L575-L594 HydrophobicContact CD2-CD2 3.9Å; L575-L594 HydrophobicContact CG-CD2 3.91Å; L581-L594 HydrophobicContact CD1-CD1 4.02Å; L581-L594 HydrophobicContact CD1-CG 4.09Å; L581-L594 HydrophobicContact CD2-CD1 4.29Å; L594-R596 PolarHBondContact O-N 2.86Å; L594-L599 HydrophobicContact CB-CD1 4.27Å; L594-L599 HydrophobicContact CB-CD2 3.77Å; L594-L599 HydrophobicContact CB-CG 3.88Å; L594-L599 HydrophobicContact CD2-CD2 3.74Å; L594-L599 HydrophobicContact CG-CD2 4.38Å
595T74Confident70.9Confident94 Ų9476.5 Ų76.558%0.57739%0.387SS*.  trans-62.9139.3175.770.50000110.6R597 A598 L599T595-R597 PolarHBondContact O-N 2.98Å; T595-A598 WeakPolarHBondContact O-CB 3.26Å; T595-A598 PolarHBondContact O-N 2.68Å; T595-A598 WeakPolarHBondContact OG1-CB 3.26Å; T595-A598 PolarHBondContact OG1-N 3.28Å; T595-L599 PolarHBondContact O-N 2.81Å
596R77.4Confident72.9Confident109 Ų10970.3 Ų70.341%0.41136%0.362SS..Hα-helixtrans-51.3-33.2175.3-72.1177.7-68.8159.6-2.4112.8D424 L594 Y600D424-R596 IonicContact OD2-CZ 2.68Å; D424-R596 IonicContact OD2-NH1 3.74Å; D424-R596 PolarHBondContact OD2-NH1 2.97Å; D424-R596 IonicContact OD2-NH2 2.79Å; D424-R596 PolarHBondContact OD2-NH2 3.17Å; L594-R596 PolarHBondContact O-N 2.86Å; R596-Y600 WeakPolarHBondContact O-CB 3.44Å; R596-Y600 PolarHBondContact O-N 3.22Å
597R83.9Confident74.9Confident208 Ų20869.8 Ų69.879%0.78536%0.359SS*.Hα-helixtrans-66.9-44.8176.6-165.3175.9-171.3167.52.5112T595 V601T595-R597 PolarHBondContact O-N 2.98Å; R597-V601 WeakPolarHBondContact O-CB 3.1Å; R597-V601 VanDerWaalsContact O-CG2 3.22Å; R597-V601 WeakPolarHBondContact O-CG2 3.13Å; R597-V601 PolarHBondContact O-N 3.2Å
598A85.6Confident76.8Confident23 Ų2368.6 Ų68.619%0.1935%0.352CS..Hα-helixtrans-62.6-47.5173.600000111.2T595 Y600 V601 S602T595-A598 WeakPolarHBondContact O-CB 3.26Å; T595-A598 PolarHBondContact O-N 2.68Å; T595-A598 WeakPolarHBondContact OG1-CB 3.26Å; T595-A598 PolarHBondContact OG1-N 3.28Å; A598-Y600 PolarHBondContact O-N 2.81Å; A598-V601 PolarHBondContact O-N 2.93Å; A598-S602 WeakPolarHBondContact O-CB 3.44Å; A598-S602 PolarHBondContact O-N 2.89Å; A598-S602 PolarHBondContact O-OG 3.15Å
599L88.4Confident79.1Confident6 Ų664.1 Ų64.13%0.03133%0.325CS..Hα-helixtrans-56.2-50.1178.2-66.1173.8000112.3F419 Y554 L572 L594 T595 S603F419-L599 HydrophobicContact CE1-CB 4.28Å; Y554-L599 HydrophobicContact CE2-CB 4.24Å; Y554-L599 HydrophobicContact CE2-CD1 3.97Å; Y554-L599 HydrophobicContact CE2-CD2 4.39Å; Y554-L599 HydrophobicContact CE2-CG 4.44Å; L572-L599 HydrophobicContact CD1-CD2 3.42Å; L572-L599 VanDerWaalsContact CD1-CD2 3.42Å; L594-L599 HydrophobicContact CB-CD1 4.27Å; L594-L599 HydrophobicContact CB-CD2 3.77Å; L594-L599 HydrophobicContact CB-CG 3.88Å; L594-L599 HydrophobicContact CD2-CD2 3.74Å; L594-L599 HydrophobicContact CG-CD2 4.38Å; T595-L599 PolarHBondContact O-N 2.81Å; L599-S603 PolarHBondContact O-N 3.3Å; L599-S603 PolarHBondContact O-OG 3.47Å
600Y91.9Very high81.3Confident51 Ų5156.8 Ų56.820%0.229%0.287CS..Hα-helixtrans-62.1-44.9177.4175.7-106.2000112.7Y415 F419 H547 R596 A598 S603 L604Y415-Y600 AromaticContact CD2-CD2 3.86Å; Y415-Y600 HydrophobicContact CD2-CD2 3.86Å; Y415-Y600 AromaticContact CD2-CE2 3.94Å; Y415-Y600 HydrophobicContact CD2-CE2 3.94Å; Y415-Y600 AromaticContact CE2-CD2 3.75Å; Y415-Y600 HydrophobicContact CE2-CD2 3.75Å; Y415-Y600 HydrophobicContact CE2-CE2 4.2Å; Y415-Y600 AromaticContact CE2-CG 3.97Å; Y415-Y600 HydrophobicContact CE2-CG 3.97Å; F419-Y600 HydrophobicContact CD2-CD2 4.34Å; F419-Y600 AromaticContact CE2-CD2 3.7Å; F419-Y600 HydrophobicContact CE2-CD2 3.7Å; F419-Y600 HydrophobicContact CE2-CE2 4.48Å; F419-Y600 AromaticContact CZ-CD2 3.84Å; F419-Y600 HydrophobicContact CZ-CD2 3.84Å; F419-Y600 HydrophobicContact CZ-CG 4.48Å; H547-Y600 AromaticContact CE1-CE2 3.77Å; H547-Y600 AromaticContact ND1-CE2 3.55Å; H547-Y600 AromaticContact ND1-CZ 3.66Å; H547-Y600 PolarHBondContact ND1-OH 3.09Å; R596-Y600 WeakPolarHBondContact O-CB 3.44Å; R596-Y600 PolarHBondContact O-N 3.22Å; A598-Y600 PolarHBondContact O-N 2.81Å; Y600-S603 PolarHBondContact O-N 2.92Å; Y600-L604 HydrophobicContact CE1-CD2 4.08Å; Y600-L604 VanDerWaalsContact O-CB 3.32Å; Y600-L604 WeakPolarHBondContact O-CB 3.4Å; Y600-L604 PolarHBondContact O-N 3.21Å
601V92.3Very high83.3Confident83 Ų8349.4 Ų49.450%0.50326%0.255SS..Hα-helixtrans-66.5-41.5-179.81700000111.5R597 A598 L604 Y605R597-V601 WeakPolarHBondContact O-CB 3.1Å; R597-V601 VanDerWaalsContact O-CG2 3.22Å; R597-V601 WeakPolarHBondContact O-CG2 3.13Å; R597-V601 PolarHBondContact O-N 3.2Å; A598-V601 PolarHBondContact O-N 2.93Å; V601-L604 PolarHBondContact O-N 3.12Å; V601-Y605 WeakPolarHBondContact O-CB 3.41Å; V601-Y605 PolarHBondContact O-N 3.09Å
602S91.8Very high85.2Confident22 Ų2247.9 Ų47.915%0.15425%0.246CC..Hα-helixtrans-65.7-41.1176.1-66.30000112.4L575 A598 Y605 F606L575-S602 WeakPolarHBondContact CD2-OG 3.01Å; A598-S602 WeakPolarHBondContact O-CB 3.44Å; A598-S602 PolarHBondContact O-N 2.89Å; A598-S602 PolarHBondContact O-OG 3.15Å; S602-Y605 PolarHBondContact O-N 3.42Å; S602-F606 PolarHBondContact O-N 2.74Å
603S93.6Very high87.1Confident0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-63.2-44.1173.2-66.30000112.4A550 W571 L599 Y600 F606 T607A550-S603 WeakPolarHBondContact O-CB 3.46Å; W571-S603 WeakPolarHBondContact CH2-OG 3.47Å; L599-S603 PolarHBondContact O-N 3.3Å; L599-S603 PolarHBondContact O-OG 3.47Å; Y600-S603 PolarHBondContact O-N 2.92Å; S603-F606 PolarHBondContact O-N 3.33Å; S603-T607 PolarHBondContact O-N 3.27Å; S603-T607 VanDerWaalsContact O-N 3.08Å; S603-T607 PolarHBondContact O-OG1 3.27Å
604L94.2Very high88.9Confident46 Ų4649.5 Ų49.524%0.24126%0.258CS..Hα-helixtrans-69.1-35.2178.9-174.865.3000112.2A546 A550 Y600 V601 T607 T608A546-L604 HydrophobicContact CB-CD1 4.36Å; A550-L604 HydrophobicContact CB-CB 4.05Å; A550-L604 HydrophobicContact CB-CD1 4.01Å; Y600-L604 HydrophobicContact CE1-CD2 4.08Å; Y600-L604 VanDerWaalsContact O-CB 3.32Å; Y600-L604 WeakPolarHBondContact O-CB 3.4Å; Y600-L604 PolarHBondContact O-N 3.21Å; V601-L604 PolarHBondContact O-N 3.12Å; L604-T607 PolarHBondContact O-OG1 3.15Å; L604-T608 WeakPolarHBondContact O-CB 3.38Å; L604-T608 PolarHBondContact O-N 2.84Å; L604-T608 PolarHBondContact O-OG1 2.64Å
605Y94.5Very high90.1Very high76 Ų7651 Ų5130%0.29828%0.279SS..Hα-helixtrans-62.4-47172.5167.5-96.3000111.3V601 S602 T609 F616 N618V601-Y605 WeakPolarHBondContact O-CB 3.41Å; V601-Y605 PolarHBondContact O-N 3.09Å; S602-Y605 PolarHBondContact O-N 3.42Å; Y605-T609 HydrophobicContact CD2-CG2 4.08Å; Y605-T609 HydrophobicContact CE2-CG2 3.95Å; Y605-T609 WeakPolarHBondContact O-CB 3.43Å; Y605-T609 VanDerWaalsContact O-CG2 3.22Å; Y605-T609 WeakPolarHBondContact O-CG2 3.4Å; Y605-T609 PolarHBondContact O-N 2.98Å; Y605-T609 PolarHBondContact O-OG1 3.45Å; Y605-F616 HydrophobicContact CE2-CD2 4.07Å; Y605-F616 HydrophobicContact CE2-CE2 4.39Å; Y605-F616 AromaticContact CZ-CD2 3.88Å; Y605-F616 WeakPolarHBondContact OH-CB 3.35Å; Y605-F616 VanDerWaalsContact OH-CD2 3.25Å; Y605-F616 WeakPolarHBondContact OH-CD2 2.95Å; Y605-N618 HydrophobicContact CE1-CB 4.02Å; Y605-N618 PolarHBondContact OH-ND2 3.22Å; Y605-N618 VanDerWaalsContact OH-ND2 3.16Å
606F93.9Very high90.9Very high9 Ų952.8 Ų52.84%0.03928%0.278CS..Hα-helixtrans-57.3-56.2175.3175.2-108.3000111.4W553 S602 S603 T608 T609 S610 V619 A630W553-F606 AromaticContact CD1-CD1 3.84Å; W553-F606 AromaticContact CD2-CD1 3.48Å; W553-F606 HydrophobicContact CD2-CD1 3.48Å; W553-F606 VanDerWaalsContact CD2-CD1 3.48Å; W553-F606 AromaticContact CD2-CE1 3.51Å; W553-F606 HydrophobicContact CD2-CE1 3.51Å; W553-F606 HydrophobicContact CD2-CG 4.48Å; W553-F606 AromaticContact CE2-CD1 3.32Å; W553-F606 AromaticContact CE2-CE1 3.52Å; W553-F606 AromaticContact CE2-CG 3.92Å; W553-F606 HydrophobicContact CE3-CD1 4.06Å; W553-F606 AromaticContact CE3-CE1 3.58Å; W553-F606 HydrophobicContact CE3-CE1 3.58Å; W553-F606 HydrophobicContact CE3-CZ 4.44Å; W553-F606 AromaticContact CG-CD1 3.79Å; W553-F606 HydrophobicContact CG-CD1 3.79Å; W553-F606 HydrophobicContact CG-CE1 4.24Å; W553-F606 HydrophobicContact CH2-CD1 4.28Å; W553-F606 AromaticContact CH2-CE1 3.63Å; W553-F606 HydrophobicContact CH2-CE1 3.63Å; W553-F606 HydrophobicContact CH2-CE2 4.45Å; W553-F606 AromaticContact CH2-CZ 3.73Å; W553-F606 HydrophobicContact CH2-CZ 3.73Å; W553-F606 AromaticContact CZ2-CD1 3.77Å; W553-F606 HydrophobicContact CZ2-CD1 3.77Å; W553-F606 HydrophobicContact CZ2-CD2 4.4Å; W553-F606 AromaticContact CZ2-CE1 3.59Å; W553-F606 HydrophobicContact CZ2-CE1 3.59Å; W553-F606 HydrophobicContact CZ2-CE2 4.25Å; W553-F606 HydrophobicContact CZ2-CG 4.17Å; W553-F606 AromaticContact CZ2-CZ 3.85Å; W553-F606 HydrophobicContact CZ2-CZ 3.85Å; W553-F606 HydrophobicContact CZ3-CD1 4.42Å; W553-F606 AromaticContact CZ3-CE1 3.63Å; W553-F606 HydrophobicContact CZ3-CE1 3.63Å; W553-F606 HydrophobicContact CZ3-CZ 4.04Å; W553-F606 AromaticContact NE1-CD1 3.55Å; W553-F606 AromaticContact NE1-CG 3.88Å; S602-F606 PolarHBondContact O-N 2.74Å; S603-F606 PolarHBondContact O-N 3.33Å; F606-T608 PolarHBondContact O-N 3.48Å; F606-T609 PolarHBondContact O-N 3.34Å; F606-T609 PolarHBondContact O-OG1 3.01Å; F606-T609 VanDerWaalsContact O-OG1 3.09Å; F606-S610 PolarHBondContact O-N 2.94Å; F606-S610 PolarHBondContact O-OG 3.5Å; F606-V619 HydrophobicContact CB-CB 4.16Å; F606-V619 HydrophobicContact CB-CG1 3.96Å; F606-V619 HydrophobicContact CD2-CB 4.16Å; F606-V619 HydrophobicContact CD2-CG1 4.01Å; F606-V619 VanDerWaalsContact CD2-O 3.28Å; F606-V619 WeakPolarHBondContact CD2-O 3.26Å; F606-V619 HydrophobicContact CG-CB 4.48Å; F606-V619 HydrophobicContact CG-CG1 4.07Å; F606-A630 HydrophobicContact CZ-CB 4.27Å
607T94.4Very high91.4Very high0 Ų049.5 Ų49.50%028%0.278CS..Hα-helixtrans-68.8-35.9-175.260.60000112.8A546 F549 W553 S603 L604 S610 L611 F629A546-T607 PolarHBondContact O-OG1 3.3Å; F549-T607 HydrophobicContact CB-CG2 3.81Å; W553-T607 HydrophobicContact CB-CG2 4.19Å; S603-T607 PolarHBondContact O-N 3.27Å; S603-T607 VanDerWaalsContact O-N 3.08Å; S603-T607 PolarHBondContact O-OG1 3.27Å; L604-T607 PolarHBondContact O-OG1 3.15Å; T607-S610 PolarHBondContact O-N 3.14Å; T607-L611 VanDerWaalsContact O-CB 3.26Å; T607-L611 WeakPolarHBondContact O-CB 3.39Å; T607-L611 WeakPolarHBondContact O-CD1 3.49Å; T607-L611 WeakPolarHBondContact O-CG 3.32Å; T607-L611 PolarHBondContact O-N 2.76Å; T607-F629 HydrophobicContact CG2-CE1 4.47Å
608T92.9Very high91.5Very high37 Ų3743.8 Ų43.823%0.22726%0.263CS..Hα-helixtrans-62.1-46.9173.1-56.60000110.7L604 F606 S610 L611 T612L604-T608 WeakPolarHBondContact O-CB 3.38Å; L604-T608 PolarHBondContact O-N 2.84Å; L604-T608 PolarHBondContact O-OG1 2.64Å; F606-T608 PolarHBondContact O-N 3.48Å; T608-S610 PolarHBondContact O-N 2.7Å; T608-L611 PolarHBondContact O-N 2.85Å; T608-T612 HydrophobicContact CG2-CG2 4.41Å; T608-T612 WeakPolarHBondContact O-CG2 3.2Å; T608-T612 PolarHBondContact O-N 2.77Å; T608-T612 PolarHBondContact O-OG1 3Å
609T94Very high91.7Very high15 Ų1543.4 Ų43.49%0.09226%0.259CS..Hα-helixtrans-73.5-24.6-177.3580000113.7Y605 F606 S613 V614 G615 F616Y605-T609 HydrophobicContact CD2-CG2 4.08Å; Y605-T609 HydrophobicContact CE2-CG2 3.95Å; Y605-T609 WeakPolarHBondContact O-CB 3.43Å; Y605-T609 VanDerWaalsContact O-CG2 3.22Å; Y605-T609 WeakPolarHBondContact O-CG2 3.4Å; Y605-T609 PolarHBondContact O-N 2.98Å; Y605-T609 PolarHBondContact O-OG1 3.45Å; F606-T609 PolarHBondContact O-N 3.34Å; F606-T609 PolarHBondContact O-OG1 3.01Å; F606-T609 VanDerWaalsContact O-OG1 3.09Å; T609-S613 PolarHBondContact O-N 2.88Å; T609-V614 PolarHBondContact O-N 2.6Å; T609-G615 PolarHBondContact O-N 3.36Å; T609-F616 HydrophobicContact CG2-CD2 3.69Å; T609-F616 HydrophobicContact CG2-CE2 3.83Å
610S92.6Very high91.8Very high18 Ų1844.4 Ų44.413%0.12627%0.267CS..Hα-helixtrans-72.7-44165.2-65.30000112.4F606 T607 T608 T612 S613F606-S610 PolarHBondContact O-N 2.94Å; F606-S610 PolarHBondContact O-OG 3.5Å; T607-S610 PolarHBondContact O-N 3.14Å; T608-S610 PolarHBondContact O-N 2.7Å; S610-T612 VanDerWaalsContact C-N 3.34Å; S610-T612 PolarHBondContact O-N 2.99Å; S610-S613 PolarHBondContact O-N 3.24Å
611L91.9Very high91.9Very high1 Ų143.7 Ų43.71%0.00527%0.268CS..Hα-helixtrans-69.3-28.4-179.2-72.1170.3000113.4F542 A546 F549 T607 T608 S613 T633 G637F542-L611 HydrophobicContact CE2-CB 4.01Å; F542-L611 HydrophobicContact CZ-CB 3.94Å; A546-L611 VanDerWaalsContact CA-CD1 3.43Å; A546-L611 HydrophobicContact CB-CD1 3.6Å; F549-L611 HydrophobicContact CD2-CD1 4.15Å; F549-L611 HydrophobicContact CD2-CD2 4.08Å; F549-L611 HydrophobicContact CD2-CG 4.43Å; F549-L611 HydrophobicContact CE2-CD2 4.02Å; T607-L611 VanDerWaalsContact O-CB 3.26Å; T607-L611 WeakPolarHBondContact O-CB 3.39Å; T607-L611 WeakPolarHBondContact O-CD1 3.49Å; T607-L611 WeakPolarHBondContact O-CG 3.32Å; T607-L611 PolarHBondContact O-N 2.76Å; T608-L611 PolarHBondContact O-N 2.85Å; L611-S613 VanDerWaalsContact C-N 3.32Å; L611-T633 HydrophobicContact CD2-CG2 4.2Å; L611-T633 HydrophobicContact CG-CG2 4.19Å; L611-G637 VanDerWaalsContact CD2-CA 3.41Å
612T91.3Very high91.8Very high45 Ų4542.1 Ų42.128%0.27626%0.257SS..THydrogen-bonded Turntrans-87.24.617060.30000113.5F542 T608 S610 V614F542-T612 HydrophobicContact CE1-CG2 4.32Å; F542-T612 HydrophobicContact CZ-CG2 3.82Å; T608-T612 HydrophobicContact CG2-CG2 4.41Å; T608-T612 WeakPolarHBondContact O-CG2 3.2Å; T608-T612 PolarHBondContact O-N 2.77Å; T608-T612 PolarHBondContact O-OG1 3Å; S610-T612 VanDerWaalsContact C-N 3.34Å; S610-T612 PolarHBondContact O-N 2.99Å; T612-V614 PolarHBondContact O-N 2.78Å; T612-V614 WeakPolarHBondContact OG1-CG2 3.46Å
613S91.1Very high91.8Very high99 Ų9941.5 Ų41.569%0.69225%0.252SS*.THydrogen-bonded Turntrans57.623.5-177.861.40000116.1T609 S610 L611T609-S613 PolarHBondContact O-N 2.88Å; S610-S613 PolarHBondContact O-N 3.24Å; L611-S613 VanDerWaalsContact C-N 3.32Å
614V93Very high91.7Very high79 Ų7947.8 Ų47.848%0.47928%0.284SS..  trans-86.3-39.4-179.6178.50000112.6T609 T612 F616T609-V614 PolarHBondContact O-N 2.6Å; T612-V614 PolarHBondContact O-N 2.78Å; T612-V614 WeakPolarHBondContact OG1-CG2 3.46Å; V614-F616 HydrophobicContact CG1-CD1 4.14Å; V614-F616 HydrophobicContact CG1-CD2 3.93Å; V614-F616 HydrophobicContact CG1-CE1 3.75Å; V614-F616 HydrophobicContact CG1-CE2 3.53Å; V614-F616 HydrophobicContact CG1-CG 4.23Å; V614-F616 HydrophobicContact CG1-CZ 3.44Å; V614-F616 VanDerWaalsContact CG1-CZ 3.44Å; V614-F616 PolarHBondContact O-N 3.27Å
615G88.6Confident91.6Very high51 Ų5149.7 Ų49.753%0.52630%0.295SS..  trans57.442.316300000118.3T609 G617T609-G615 PolarHBondContact O-N 3.36Å; G615-G617 PolarHBondContact O-N 3.22Å
616F91.2Very high91.6Very high130 Ų13046.1 Ų46.157%0.5728%0.281SS*.  trans-54.5-16.2-173.5-65.6-70.3000118.1Y605 T609 V614 N618Y605-F616 HydrophobicContact CE2-CD2 4.07Å; Y605-F616 HydrophobicContact CE2-CE2 4.39Å; Y605-F616 AromaticContact CZ-CD2 3.88Å; Y605-F616 WeakPolarHBondContact OH-CB 3.35Å; Y605-F616 VanDerWaalsContact OH-CD2 3.25Å; Y605-F616 WeakPolarHBondContact OH-CD2 2.95Å; T609-F616 HydrophobicContact CG2-CD2 3.69Å; T609-F616 HydrophobicContact CG2-CE2 3.83Å; V614-F616 HydrophobicContact CG1-CD1 4.14Å; V614-F616 HydrophobicContact CG1-CD2 3.93Å; V614-F616 HydrophobicContact CG1-CE1 3.75Å; V614-F616 HydrophobicContact CG1-CE2 3.53Å; V614-F616 HydrophobicContact CG1-CG 4.23Å; V614-F616 HydrophobicContact CG1-CZ 3.44Å; V614-F616 VanDerWaalsContact CG1-CZ 3.44Å; V614-F616 PolarHBondContact O-N 3.27Å; F616-N618 VanDerWaalsContact C-N 3.29Å; F616-N618 PolarHBondContact O-N 3.1Å
617G87.6Confident91.6Very high40 Ų4050.9 Ų50.941%0.41230%0.301SS..SBendtrans74.85.2179.300000116.6R578 G615 V619R578-G617 PolarHBondContact NH2-O 3.05Å; G615-G617 PolarHBondContact O-N 3.22Å; G617-V619 VanDerWaalsContact C-N 3.29Å; G617-V619 PolarHBondContact O-N 3.2Å
618N87.5Confident91.7Very high88 Ų8855.2 Ų55.247%0.47132%0.324SS..SBendtrans-72.4-22.4176.3-75.1-31000114R578 Y605 F616R578-N618 PolarHBondContact NH1-O 2.91Å; Y605-N618 HydrophobicContact CE1-CB 4.02Å; Y605-N618 PolarHBondContact OH-ND2 3.22Å; Y605-N618 VanDerWaalsContact OH-ND2 3.16Å; F616-N618 VanDerWaalsContact C-N 3.29Å; F616-N618 PolarHBondContact O-N 3.1Å
619V89.8Confident91.8Very high15 Ų1554.9 Ų54.99%0.09132%0.319CS..SBendtrans-132.4129.4164.9176.20000104.8W553 W571 F606 G617W553-V619 HydrophobicContact CZ2-CG1 4.13Å; W571-V619 HydrophobicContact CB-CG1 4.27Å; W571-V619 HydrophobicContact CD2-CG1 4.21Å; W571-V619 HydrophobicContact CE3-CG1 3.77Å; W571-V619 HydrophobicContact CG-CG1 4.44Å; W571-V619 HydrophobicContact CZ3-CG1 4.48Å; F606-V619 HydrophobicContact CB-CB 4.16Å; F606-V619 HydrophobicContact CB-CG1 3.96Å; F606-V619 HydrophobicContact CD2-CB 4.16Å; F606-V619 HydrophobicContact CD2-CG1 4.01Å; F606-V619 VanDerWaalsContact CD2-O 3.28Å; F606-V619 WeakPolarHBondContact CD2-O 3.26Å; F606-V619 HydrophobicContact CG-CB 4.48Å; F606-V619 HydrophobicContact CG-CG1 4.07Å; G617-V619 VanDerWaalsContact C-N 3.29Å; G617-V619 PolarHBondContact O-N 3.2Å
620S90.1Very high91.8Very high28 Ų2854.4 Ų54.420%0.19632%0.317CS..  trans-136.8151.1-171.243.40000112.4N622S620-N622 PolarHBondContact OG-OD1 3.44Å
621P92.6Very high91.9Very high36 Ų3657.9 Ų57.923%0.23434%0.337CS..  trans-80.4116.8173.433.1-34.4000111W553 E626 K627 A630W553-P621 HydrophobicContact CH2-CB 3.9Å; W553-P621 HydrophobicContact CZ3-CB 4.4Å; P621-E626 HydrophobicContact CB-CB 3.84Å; P621-E626 WeakPolarHBondContact CB-O 3.39Å; P621-K627 HydrophobicContact CB-CG 3.93Å; P621-K627 HydrophobicContact CG-CG 4.3Å; P621-K627 WeakPolarHBondContact O-CE 3.49Å; P621-K627 WeakPolarHBondContact O-CG 3.38Å; P621-A630 HydrophobicContact CB-CB 3.87Å; P621-A630 HydrophobicContact CG-CB 3.64Å
622N91.1Very high92Very high50 Ų5061.9 Ų61.927%0.26736%0.358SS..  trans-109.4-44.7-174.1-64.8-16.7000111.1Y569 E574 S620 E626 K627Y569-N622 WeakPolarHBondContact O-CB 3.49Å; Y569-N622 PolarHBondContact O-ND2 2.86Å; E574-N622 PolarHBondContact OE2-ND2 3.45Å; S620-N622 PolarHBondContact OG-OD1 3.44Å; N622-E626 PolarHBondContact N-OE2 2.81Å; N622-K627 VanDerWaalsContact O-CE 3.27Å; N622-K627 WeakPolarHBondContact O-CE 3.35Å; N622-K627 PolarHBondContact O-NZ 2.62Å
623T91.4Very high92.1Very high8 Ų859.7 Ų59.75%0.04934%0.344CS..SBendtrans-74.9165.4175.880.20000111.9E560 T566 N625 E626 K627E560-T623 HydrophobicContact CB-CG2 4.49Å; E560-T623 HydrophobicContact CG-CG2 4.22Å; T566-T623 HydrophobicContact CG2-CG2 4.38Å; T623-N625 VanDerWaalsContact C-N 3.35Å; T623-E626 HydrophobicContact CG2-CG 4.46Å; T623-E626 PolarHBondContact N-OE2 3.26Å; T623-E626 WeakPolarHBondContact OG1-CB 3.18Å; T623-E626 VanDerWaalsContact OG1-CG 3.23Å; T623-E626 WeakPolarHBondContact OG1-CG 3.3Å; T623-E626 PolarHBondContact OG1-N 2.94Å; T623-E626 VanDerWaalsContact OG1-N 3.16Å; T623-K627 WeakPolarHBondContact O-CB 3.21Å; T623-K627 WeakPolarHBondContact O-CD 3.47Å; T623-K627 VanDerWaalsContact O-CG 3.25Å; T623-K627 WeakPolarHBondContact O-CG 3.31Å; T623-K627 PolarHBondContact O-N 3.1Å
624I92.2Very high92.2Very high132 Ų13260 Ų6068%0.67734%0.336SS*.Hα-helixtrans-63.1-42.7178-63.6173.2000110.7K627 I628I624-K627 PolarHBondContact O-N 3.02Å; I624-I628 HydrophobicContact CG2-CD1 3.91Å; I624-I628 WeakPolarHBondContact O-CG1 3.47Å; I624-I628 PolarHBondContact O-N 3.19Å
625N92.3Very high92.2Very high87 Ų8761.7 Ų61.747%0.46534%0.342SS..Hα-helixtrans-69.8-39.5-179.2-64.1-33.3000112E560 T623 K627 I628 F629E560-N625 WeakPolarHBondContact OE1-CB 3.28Å; E560-N625 PolarHBondContact OE1-ND2 3.14Å; T623-N625 VanDerWaalsContact C-N 3.35Å; N625-K627 VanDerWaalsContact C-N 3.33Å; N625-K627 PolarHBondContact O-N 2.69Å; N625-I628 PolarHBondContact O-N 3.49Å; N625-F629 PolarHBondContact O-N 3.15Å
626E94.4Very high92.3Very high0 Ų062 Ų620%033%0.331CS..Hα-helixtrans-59.4-43170.6-72.3168.5178.200111.4W553 I556 S570 W571 P621 N622 T623 F629 A630W553-E626 HydrophobicContact CH2-CB 3.84Å; W553-E626 HydrophobicContact CH2-CG 3.97Å; W553-E626 HydrophobicContact CZ3-CB 3.82Å; W553-E626 HydrophobicContact CZ3-CG 4.01Å; I556-E626 HydrophobicContact CG2-CG 4Å; S570-E626 VanDerWaalsContact CA-OE1 3.23Å; S570-E626 WeakPolarHBondContact CA-OE1 3.49Å; S570-E626 WeakPolarHBondContact CB-OE1 3.19Å; S570-E626 PolarHBondContact OG-OE1 2.82Å; W571-E626 PolarHBondContact N-OE1 3.32Å; P621-E626 HydrophobicContact CB-CB 3.84Å; P621-E626 WeakPolarHBondContact CB-O 3.39Å; N622-E626 PolarHBondContact N-OE2 2.81Å; T623-E626 HydrophobicContact CG2-CG 4.46Å; T623-E626 PolarHBondContact N-OE2 3.26Å; T623-E626 WeakPolarHBondContact OG1-CB 3.18Å; T623-E626 VanDerWaalsContact OG1-CG 3.23Å; T623-E626 WeakPolarHBondContact OG1-CG 3.3Å; T623-E626 PolarHBondContact OG1-N 2.94Å; T623-E626 VanDerWaalsContact OG1-N 3.16Å; E626-F629 PolarHBondContact O-N 3.26Å; E626-A630 WeakPolarHBondContact O-CB 3.45Å; E626-A630 PolarHBondContact O-N 3.02Å
627K94.7Very high92.3Very high109 Ų10956 Ų5647%0.47431%0.305SS..Hα-helixtrans-66-41.9178.3-75.9165.6176.1156.20112.5P621 N622 T623 I624 N625 A630 V631P621-K627 HydrophobicContact CB-CG 3.93Å; P621-K627 HydrophobicContact CG-CG 4.3Å; P621-K627 WeakPolarHBondContact O-CE 3.49Å; P621-K627 WeakPolarHBondContact O-CG 3.38Å; N622-K627 VanDerWaalsContact O-CE 3.27Å; N622-K627 WeakPolarHBondContact O-CE 3.35Å; N622-K627 PolarHBondContact O-NZ 2.62Å; T623-K627 WeakPolarHBondContact O-CB 3.21Å; T623-K627 WeakPolarHBondContact O-CD 3.47Å; T623-K627 VanDerWaalsContact O-CG 3.25Å; T623-K627 WeakPolarHBondContact O-CG 3.31Å; T623-K627 PolarHBondContact O-N 3.1Å; I624-K627 PolarHBondContact O-N 3.02Å; N625-K627 VanDerWaalsContact C-N 3.33Å; N625-K627 PolarHBondContact O-N 2.69Å; K627-A630 PolarHBondContact O-N 3.39Å; K627-V631 WeakPolarHBondContact O-CG2 3.46Å; K627-V631 PolarHBondContact O-N 3.09Å
628I95.7Very high92.5Very high91 Ų9157 Ų5747%0.46731%0.31SS..Hα-helixtrans-60.1-46.3174-69.7164.8000110.3I624 N625 A630 V631 I632I624-I628 HydrophobicContact CG2-CD1 3.91Å; I624-I628 WeakPolarHBondContact O-CG1 3.47Å; I624-I628 PolarHBondContact O-N 3.19Å; N625-I628 PolarHBondContact O-N 3.49Å; I628-A630 VanDerWaalsContact C-N 3.35Å; I628-A630 PolarHBondContact O-N 3Å; I628-V631 PolarHBondContact O-N 2.89Å; I628-I632 HydrophobicContact CG2-CD1 3.96Å; I628-I632 WeakPolarHBondContact O-CG1 3.43Å; I628-I632 PolarHBondContact O-N 3.31Å; I628-I632 VanDerWaalsContact O-N 3.09Å
629F95.1Very high92.6Very high30 Ų3057.2 Ų57.213%0.13231%0.311CS..Hα-helixtrans-62.9-39.2177.1-177.1-89.8000112.8F549 W553 I556 T607 N625 E626 I632 T633F549-F629 HydrophobicContact CB-CZ 3.95Å; F549-F629 HydrophobicContact CD1-CZ 4.49Å; F549-F629 HydrophobicContact CG-CZ 4.29Å; F549-F629 WeakPolarHBondContact O-CZ 3.5Å; W553-F629 HydrophobicContact CB-CE1 3.95Å; W553-F629 HydrophobicContact CB-CZ 4.36Å; W553-F629 HydrophobicContact CD2-CD1 4.48Å; W553-F629 AromaticContact CE3-CD1 3.47Å; W553-F629 HydrophobicContact CE3-CD1 3.47Å; W553-F629 VanDerWaalsContact CE3-CD1 3.47Å; W553-F629 AromaticContact CE3-CE1 3.89Å; W553-F629 HydrophobicContact CE3-CE1 3.89Å; W553-F629 HydrophobicContact CE3-CG 4.33Å; W553-F629 HydrophobicContact CZ3-CD1 4.03Å; I556-F629 HydrophobicContact CD1-CB 3.65Å; I556-F629 HydrophobicContact CD1-CD1 4.37Å; I556-F629 HydrophobicContact CD1-CD2 3.34Å; I556-F629 HydrophobicContact CD1-CE2 4.06Å; I556-F629 HydrophobicContact CD1-CG 3.52Å; T607-F629 HydrophobicContact CG2-CE1 4.47Å; N625-F629 PolarHBondContact O-N 3.15Å; E626-F629 PolarHBondContact O-N 3.26Å; F629-I632 PolarHBondContact O-N 3.39Å; F629-T633 WeakPolarHBondContact CE1-OG1 3.17Å; F629-T633 WeakPolarHBondContact O-CB 3.38Å; F629-T633 PolarHBondContact O-N 3.21Å; F629-T633 PolarHBondContact O-OG1 3.37Å
630A93.9Very high92.4Very high6 Ų657.7 Ų57.75%0.0531%0.312CS..Hα-helixtrans-65-41.217600000112.4F606 P621 E626 K627 I628 T633 M634F606-A630 HydrophobicContact CZ-CB 4.27Å; P621-A630 HydrophobicContact CB-CB 3.87Å; P621-A630 HydrophobicContact CG-CB 3.64Å; E626-A630 WeakPolarHBondContact O-CB 3.45Å; E626-A630 PolarHBondContact O-N 3.02Å; K627-A630 PolarHBondContact O-N 3.39Å; I628-A630 VanDerWaalsContact C-N 3.35Å; I628-A630 PolarHBondContact O-N 3Å; A630-T633 WeakPolarHBondContact O-CB 3.24Å; A630-T633 PolarHBondContact O-N 3.45Å; A630-M634 WeakPolarHBondContact O-CG 3.26Å; A630-M634 PolarHBondContact O-N 3.44Å
631V94.6Very high92.2Very high91 Ų9159.6 Ų59.655%0.55232%0.318SS*.Hα-helixtrans-61.2-44.6174.7170.10000111.4K627 I628 T633 M634 L635K627-V631 WeakPolarHBondContact O-CG2 3.46Å; K627-V631 PolarHBondContact O-N 3.09Å; I628-V631 PolarHBondContact O-N 2.89Å; V631-T633 VanDerWaalsContact C-N 3.34Å; V631-T633 PolarHBondContact O-N 2.93Å; V631-M634 HydrophobicContact CG2-CE 4.25Å; V631-M634 PolarHBondContact O-N 3.13Å; V631-L635 PolarHBondContact O-N 3.37Å
632I94.6Very high92Very high84 Ų8460.8 Ų60.843%0.43133%0.331SS..Hα-helixtrans-61.6-43.8175-66.6165.4000110.7I628 F629 L635 I636I628-I632 HydrophobicContact CG2-CD1 3.96Å; I628-I632 WeakPolarHBondContact O-CG1 3.43Å; I628-I632 PolarHBondContact O-N 3.31Å; I628-I632 VanDerWaalsContact O-N 3.09Å; F629-I632 PolarHBondContact O-N 3.39Å; I632-L635 PolarHBondContact O-N 3.4Å; I632-I636 HydrophobicContact CG2-CD1 3.84Å; I632-I636 WeakPolarHBondContact O-CG1 3.42Å; I632-I636 PolarHBondContact O-N 2.88Å
633T92.7Very high91.6Very high0 Ų058.5 Ų58.50%032%0.319CS..Hα-helixtrans-62.1-44.2178.3-62.70000111.9F549 L611 F629 A630 V631 G637F549-T633 HydrophobicContact CD2-CG2 3.98Å; F549-T633 HydrophobicContact CE2-CG2 4.46Å; L611-T633 HydrophobicContact CD2-CG2 4.2Å; L611-T633 HydrophobicContact CG-CG2 4.19Å; F629-T633 WeakPolarHBondContact CE1-OG1 3.17Å; F629-T633 WeakPolarHBondContact O-CB 3.38Å; F629-T633 PolarHBondContact O-N 3.21Å; F629-T633 PolarHBondContact O-OG1 3.37Å; A630-T633 WeakPolarHBondContact O-CB 3.24Å; A630-T633 PolarHBondContact O-N 3.45Å; V631-T633 VanDerWaalsContact C-N 3.34Å; V631-T633 PolarHBondContact O-N 2.93Å; T633-G637 PolarHBondContact O-N 3.05Å
634M93.2Very high91.2Very high105 Ų10559 Ų5952%0.51732%0.322SS..Hα-helixtrans-66.4-42.3178.2-72.1-175.6-66.500112.3A630 V631 I636 G637 A638A630-M634 WeakPolarHBondContact O-CG 3.26Å; A630-M634 PolarHBondContact O-N 3.44Å; V631-M634 HydrophobicContact CG2-CE 4.25Å; V631-M634 PolarHBondContact O-N 3.13Å; M634-I636 PolarHBondContact O-N 3.42Å; M634-G637 PolarHBondContact O-N 3.42Å; M634-A638 PolarHBondContact O-N 2.92Å
635L93.4Very high90.9Very high115 Ų11558.3 Ų58.360%0.60231%0.314SS*.Hα-helixtrans-62.2-44.2177.5-179.662.8000111.7V631 I632 L639V631-L635 PolarHBondContact O-N 3.37Å; I632-L635 PolarHBondContact O-N 3.4Å; L635-L639 WeakPolarHBondContact O-CG 3.37Å; L635-L639 PolarHBondContact O-N 3.19Å
636I91.5Very high90.7Very high57 Ų5755.8 Ų55.829%0.29231%0.309SS..Hα-helixtrans-71-37.1177.7-66.5171.8000110.7F549 I632 M634 L639 M640F549-I636 HydrophobicContact CE2-CB 4.14Å; F549-I636 HydrophobicContact CE2-CD1 4.39Å; F549-I636 HydrophobicContact CE2-CG2 3.92Å; F549-I636 HydrophobicContact CZ-CB 4.24Å; F549-I636 HydrophobicContact CZ-CD1 3.72Å; F549-I636 HydrophobicContact CZ-CG2 3.92Å; I632-I636 HydrophobicContact CG2-CD1 3.84Å; I632-I636 WeakPolarHBondContact O-CG1 3.42Å; I632-I636 PolarHBondContact O-N 2.88Å; M634-I636 PolarHBondContact O-N 3.42Å; I636-L639 PolarHBondContact O-N 2.95Å; I636-M640 HydrophobicContact CG2-CG 4.17Å; I636-M640 HydrophobicContact CG2-SD 4.04Å; I636-M640 WeakPolarHBondContact O-CB 3.5Å; I636-M640 WeakPolarHBondContact O-CG 3.39Å; I636-M640 PolarHBondContact O-N 2.88Å
637G91.3Very high90.1Very high3 Ų356.9 Ų56.93%0.03132%0.315CS..Hα-helixtrans-56.7-50.6172.900000112.8L611 T633 M634 L639 M640 H641L611-G637 VanDerWaalsContact CD2-CA 3.41Å; T633-G637 PolarHBondContact O-N 3.05Å; M634-G637 PolarHBondContact O-N 3.42Å; G637-L639 VanDerWaalsContact C-N 3.33Å; G637-L639 PolarHBondContact O-N 2.89Å; G637-M640 PolarHBondContact O-N 3.45Å; G637-H641 WeakPolarHBondContact O-CB 3.46Å; G637-H641 PolarHBondContact O-N 3.39Å
638A91Very high89.6Confident63 Ų6353.6 Ų53.652%0.52130%0.304SS..Hα-helixtrans-57.6-44.1176.900000112.4M634 A642M634-A638 PolarHBondContact O-N 2.92Å; A638-A642 WeakPolarHBondContact O-CB 3.34Å; A638-A642 PolarHBondContact O-N 2.99Å
639L89.1Confident89.3Confident91 Ų9152.5 Ų52.548%0.47630%0.302SS..Hα-helixtrans-66.5-42.9177.4-69.5171.2000112.6L635 I636 G637 A643L635-L639 WeakPolarHBondContact O-CG 3.37Å; L635-L639 PolarHBondContact O-N 3.19Å; I636-L639 PolarHBondContact O-N 2.95Å; G637-L639 VanDerWaalsContact C-N 3.33Å; G637-L639 PolarHBondContact O-N 2.89Å; L639-A643 WeakPolarHBondContact O-CB 3.12Å; L639-A643 PolarHBondContact O-N 3.33Å
640M85.8Confident88.7Confident25 Ų2554.9 Ų54.912%0.12332%0.318CS..Hα-helixtrans-67.8-41177.3-70.9-169.880.300111.9F542 V545 I636 G637 A643 V644F542-M640 HydrophobicContact CB-CE 4.42Å; F542-M640 HydrophobicContact CD2-CB 4.47Å; F542-M640 HydrophobicContact CD2-CE 4.4Å; V545-M640 HydrophobicContact CB-CE 3.93Å; V545-M640 HydrophobicContact CB-SD 3.87Å; V545-M640 HydrophobicContact CG1-CE 4.43Å; V545-M640 HydrophobicContact CG1-SD 3.69Å; V545-M640 HydrophobicContact CG2-CE 3.8Å; V545-M640 HydrophobicContact CG2-SD 4.05Å; I636-M640 HydrophobicContact CG2-CG 4.17Å; I636-M640 HydrophobicContact CG2-SD 4.04Å; I636-M640 WeakPolarHBondContact O-CB 3.5Å; I636-M640 WeakPolarHBondContact O-CG 3.39Å; I636-M640 PolarHBondContact O-N 2.88Å; G637-M640 PolarHBondContact O-N 3.45Å; M640-A643 PolarHBondContact O-N 3.22Å; M640-V644 WeakPolarHBondContact O-CB 3.19Å; M640-V644 VanDerWaalsContact O-CG2 3.31Å; M640-V644 WeakPolarHBondContact O-CG2 3.18Å; M640-V644 PolarHBondContact O-N 3.42Å
641H85.1Confident88.2Confident68 Ų6855.7 Ų55.732%0.31532%0.322SS..Hα-helixtrans-61.6-46.7176.1-168.2-96.3000110.9G637 A643 V644 F645G637-H641 WeakPolarHBondContact O-CB 3.46Å; G637-H641 PolarHBondContact O-N 3.39Å; H641-A643 PolarHBondContact O-N 3.29Å; H641-V644 PolarHBondContact O-N 3.4Å; H641-F645 AromaticContact CD2-CE2 3.81Å; H641-F645 AromaticContact CE1-CD2 3.66Å; H641-F645 AromaticContact CE1-CE2 3.47Å; H641-F645 VanDerWaalsContact CE1-CE2 3.47Å; H641-F645 WeakPolarHBondContact CE1-CE2 3.46Å; H641-F645 AromaticContact ND1-CD2 3.89Å; H641-F645 AromaticContact NE2-CD2 3.79Å; H641-F645 AromaticContact NE2-CE2 3.22Å; H641-F645 WeakPolarHBondContact NE2-CE2 3.49Å; H641-F645 AromaticContact NE2-CZ 4Å; H641-F645 WeakPolarHBondContact O-CD2 3.25Å; H641-F645 PolarHBondContact O-N 2.97Å
642A89.5Confident87.7Confident61 Ų6155.4 Ų55.450%0.50432%0.316SS..Hα-helixtrans-59.5-44174.200000112.5A638 G646A638-A642 WeakPolarHBondContact O-CB 3.34Å; A638-A642 PolarHBondContact O-N 2.99Å; A642-G646 PolarHBondContact O-N 3.31Å
643A82.1Confident87.3Confident3 Ų357.4 Ų57.43%0.02532%0.324CS..Hα-helixtrans-65.6-38.317700000112.9V187 L188 L639 M640 H641 N647V187-A643 HydrophobicContact CG1-CB 4.08Å; L188-A643 HydrophobicContact CD2-CB 3.65Å; L188-A643 HydrophobicContact CG-CB 4.3Å; L639-A643 WeakPolarHBondContact O-CB 3.12Å; L639-A643 PolarHBondContact O-N 3.33Å; M640-A643 PolarHBondContact O-N 3.22Å; H641-A643 PolarHBondContact O-N 3.29Å; A643-N647 WeakPolarHBondContact O-CB 3.48Å; A643-N647 PolarHBondContact O-N 3.16Å; A643-N647 VanDerWaalsContact O-N 3.09Å; A643-N647 PolarHBondContact O-ND2 3.36Å
644V83.6Confident86.7Confident17 Ų1762.5 Ų62.510%0.10334%0.343CS..Hα-helixtrans-61-56.3173.6161.30000110.9L538 M539 M640 H641 G646 N647 V648L538-V644 HydrophobicContact CD1-CG2 4.5Å; L538-V644 HydrophobicContact CD2-CG2 4.21Å; L538-V644 HydrophobicContact CG-CG2 4.08Å; M539-V644 HydrophobicContact CE-CB 4.18Å; M539-V644 HydrophobicContact CE-CG1 3.49Å; M539-V644 VanDerWaalsContact CE-CG1 3.49Å; M539-V644 HydrophobicContact CE-CG2 3.62Å; M640-V644 WeakPolarHBondContact O-CB 3.19Å; M640-V644 VanDerWaalsContact O-CG2 3.31Å; M640-V644 WeakPolarHBondContact O-CG2 3.18Å; M640-V644 PolarHBondContact O-N 3.42Å; H641-V644 PolarHBondContact O-N 3.4Å; V644-G646 VanDerWaalsContact C-N 3.34Å; V644-G646 PolarHBondContact O-N 2.96Å; V644-N647 PolarHBondContact O-N 3.36Å; V644-V648 WeakPolarHBondContact O-CG2 3.31Å; V644-V648 PolarHBondContact O-N 3.07Å
645F86.2Confident86Confident118 Ų11862.4 Ų62.452%0.51834%0.343SS..Hα-helixtrans-67.4-34.1-176-85.4-98.3000112.6H641 T649H641-F645 AromaticContact CD2-CE2 3.81Å; H641-F645 AromaticContact CE1-CD2 3.66Å; H641-F645 AromaticContact CE1-CE2 3.47Å; H641-F645 VanDerWaalsContact CE1-CE2 3.47Å; H641-F645 WeakPolarHBondContact CE1-CE2 3.46Å; H641-F645 AromaticContact ND1-CD2 3.89Å; H641-F645 AromaticContact NE2-CD2 3.79Å; H641-F645 AromaticContact NE2-CE2 3.22Å; H641-F645 WeakPolarHBondContact NE2-CE2 3.49Å; H641-F645 AromaticContact NE2-CZ 4Å; H641-F645 WeakPolarHBondContact O-CD2 3.25Å; H641-F645 PolarHBondContact O-N 2.97Å; F645-T649 WeakPolarHBondContact O-CB 3.16Å; F645-T649 PolarHBondContact O-N 3.31Å; F645-T649 PolarHBondContact O-OG1 3.29Å
646G87.7Confident85.7Confident35 Ų3561.3 Ų61.336%0.36133%0.331SS..Hα-helixtrans-60.2-53.6170.800000112.4A642 V644 V648 T649 T650A642-G646 PolarHBondContact O-N 3.31Å; V644-G646 VanDerWaalsContact C-N 3.34Å; V644-G646 PolarHBondContact O-N 2.96Å; G646-V648 VanDerWaalsContact C-N 3.33Å; G646-V648 PolarHBondContact O-N 3.3Å; G646-T649 PolarHBondContact O-N 2.91Å; G646-T649 VanDerWaalsContact O-N 3.14Å; G646-T650 PolarHBondContact O-N 3.31Å; G646-T650 PolarHBondContact O-OG1 2.74Å
647N82Confident85.5Confident23 Ų2361.9 Ų61.912%0.12334%0.34CS..Hα-helixtrans-62-37.7179-77.2-52.4000112.8V187 G189 L538 A643 V644 L651V187-N647 PolarHBondContact O-ND2 3.25Å; G189-N647 VanDerWaalsContact CA-OD1 3.26Å; G189-N647 WeakPolarHBondContact CA-OD1 3.31Å; G189-N647 PolarHBondContact N-OD1 3.49Å; L538-N647 HydrophobicContact CD2-CB 3.62Å; L538-N647 VanDerWaalsContact CD2-ND2 3.33Å; L538-N647 WeakPolarHBondContact CD2-ND2 3.34Å; A643-N647 WeakPolarHBondContact O-CB 3.48Å; A643-N647 PolarHBondContact O-N 3.16Å; A643-N647 VanDerWaalsContact O-N 3.09Å; A643-N647 PolarHBondContact O-ND2 3.36Å; V644-N647 PolarHBondContact O-N 3.36Å; N647-L651 WeakPolarHBondContact O-CB 3.38Å; N647-L651 PolarHBondContact O-N 3.02Å
648V84Confident85.1Confident40 Ų4068 Ų6824%0.24236%0.362CS..Hα-helixtrans-64.4-42.6173.5169.40000111.3L535 V644 G646 L651 I652L535-V648 HydrophobicContact CD1-CG2 3.54Å; L535-V648 HydrophobicContact CD2-CG2 4.26Å; V644-V648 WeakPolarHBondContact O-CG2 3.31Å; V644-V648 PolarHBondContact O-N 3.07Å; G646-V648 VanDerWaalsContact C-N 3.33Å; G646-V648 PolarHBondContact O-N 3.3Å; V648-L651 WeakPolarHBondContact O-CB 3.42Å; V648-L651 PolarHBondContact O-N 3.02Å; V648-I652 HydrophobicContact CG1-CD1 3.8Å; V648-I652 HydrophobicContact CG1-CG1 4.5Å; V648-I652 WeakPolarHBondContact O-CG1 3.29Å; V648-I652 PolarHBondContact O-N 3.44Å
649T88.3Confident85Confident68 Ų6871.8 Ų71.842%0.41736%0.363SS..Hα-helixtrans-62.8-47.3178.3-58.30000111.2F645 G646 L651 I652 Q653F645-T649 WeakPolarHBondContact O-CB 3.16Å; F645-T649 PolarHBondContact O-N 3.31Å; F645-T649 PolarHBondContact O-OG1 3.29Å; G646-T649 PolarHBondContact O-N 2.91Å; G646-T649 VanDerWaalsContact O-N 3.14Å; T649-L651 VanDerWaalsContact C-N 3.32Å; T649-L651 PolarHBondContact O-N 2.94Å; T649-I652 PolarHBondContact O-N 3.49Å; T649-Q653 WeakPolarHBondContact O-CG 3.47Å; T649-Q653 PolarHBondContact O-N 3.33Å
650T83.7Confident85Confident79 Ų7970.5 Ų70.549%0.48536%0.362SS..Hα-helixtrans-60.8-38.9175.2-54.80000111.9G646 R654G646-T650 PolarHBondContact O-N 3.31Å; G646-T650 PolarHBondContact O-OG1 2.74Å; T650-R654 VanDerWaalsContact O-CB 3.25Å; T650-R654 WeakPolarHBondContact O-CB 3.32Å; T650-R654 PolarHBondContact O-N 3.32Å
651L82.2Confident85.2Confident23 Ų2371.4 Ų71.412%0.1237%0.373CS..Hα-helixtrans-61-47.7174.3174.467.4000111.8L535 N647 V648 T649 R654 M655L535-L651 HydrophobicContact CB-CD2 4.28Å; L535-L651 HydrophobicContact CD2-CD2 3.53Å; N647-L651 WeakPolarHBondContact O-CB 3.38Å; N647-L651 PolarHBondContact O-N 3.02Å; V648-L651 WeakPolarHBondContact O-CB 3.42Å; V648-L651 PolarHBondContact O-N 3.02Å; T649-L651 VanDerWaalsContact C-N 3.32Å; T649-L651 PolarHBondContact O-N 2.94Å; L651-R654 PolarHBondContact O-N 3.07Å; L651-M655 HydrophobicContact CD1-CG 4.3Å; L651-M655 HydrophobicContact CD1-SD 4.11Å; L651-M655 HydrophobicContact CG-SD 4.12Å; L651-M655 WeakPolarHBondContact O-CG 3.42Å; L651-M655 PolarHBondContact O-N 3.23Å
652I84Confident85.5Confident85 Ų8570.9 Ų70.944%0.43637%0.369SS..Hα-helixtrans-62.1-49.5-179.9-69.5166.7000110.3V648 T649 R654 M655 Y656V648-I652 HydrophobicContact CG1-CD1 3.8Å; V648-I652 HydrophobicContact CG1-CG1 4.5Å; V648-I652 WeakPolarHBondContact O-CG1 3.29Å; V648-I652 PolarHBondContact O-N 3.44Å; T649-I652 PolarHBondContact O-N 3.49Å; I652-R654 VanDerWaalsContact C-N 3.31Å; I652-R654 PolarHBondContact O-N 3.3Å; I652-M655 PolarHBondContact O-N 2.68Å; I652-M655 VanDerWaalsContact O-N 3.17Å; I652-Y656 HydrophobicContact CG2-CD2 3.89Å; I652-Y656 HydrophobicContact CG2-CE2 4.22Å; I652-Y656 WeakPolarHBondContact O-CD2 3.43Å; I652-Y656 PolarHBondContact O-N 3.25Å
653Q85.9Confident85.6Confident126 Ų12673 Ų7359%0.58937%0.368SS*.Hα-helixtrans-55.8-45.5175.6-71.1172.3-12.400111.5T649 M655 Y656 S657T649-Q653 WeakPolarHBondContact O-CG 3.47Å; T649-Q653 PolarHBondContact O-N 3.33Å; Q653-M655 PolarHBondContact O-N 2.91Å; Q653-Y656 PolarHBondContact O-N 3.29Å; Q653-S657 PolarHBondContact O-N 2.9Å
654R81.5Confident86.1Confident108 Ų10876.1 Ų76.141%0.40839%0.387SS..Hα-helixtrans-62.9-40177.9-163.4-179.3-154.6168.518.6112.4S531 T650 L651 I652 S657S531-R654 PolarHBondContact OG-NH1 3.28Å; T650-R654 VanDerWaalsContact O-CB 3.25Å; T650-R654 WeakPolarHBondContact O-CB 3.32Å; T650-R654 PolarHBondContact O-N 3.32Å; L651-R654 PolarHBondContact O-N 3.07Å; I652-R654 VanDerWaalsContact C-N 3.31Å; I652-R654 PolarHBondContact O-N 3.3Å; R654-S657 PolarHBondContact O-OG 3.39Å
655M78.4Confident86.5Confident102 Ų10280.7 Ų80.750%0.50241%0.406SS..Hα-helixtrans-67.8-41.9177.5-76179.262.500112.7L651 I652 Q653 L1351L651-M655 HydrophobicContact CD1-CG 4.3Å; L651-M655 HydrophobicContact CD1-SD 4.11Å; L651-M655 HydrophobicContact CG-SD 4.12Å; L651-M655 WeakPolarHBondContact O-CG 3.42Å; L651-M655 PolarHBondContact O-N 3.23Å; I652-M655 PolarHBondContact O-N 2.68Å; I652-M655 VanDerWaalsContact O-N 3.17Å; Q653-M655 PolarHBondContact O-N 2.91Å; M655-L1351 VanDerWaalsContact CE-O 3.27Å; M655-L1351 WeakPolarHBondContact CE-O 3.47Å
656Y87.2Confident86.8Confident93 Ų9376 Ų7637%0.36539%0.386SS..Hα-helixtrans-85.4-13.2-177.9-77.6-76.4000114.6I652 Q653 R658 R659 S660 T1352I652-Y656 HydrophobicContact CG2-CD2 3.89Å; I652-Y656 HydrophobicContact CG2-CE2 4.22Å; I652-Y656 WeakPolarHBondContact O-CD2 3.43Å; I652-Y656 PolarHBondContact O-N 3.25Å; Q653-Y656 PolarHBondContact O-N 3.29Å; Y656-R658 PolarHBondContact O-N 2.76Å; Y656-R658 VanDerWaalsContact O-N 3.13Å; Y656-R659 HydrophobicContact CD1-CB 4.48Å; Y656-R659 WeakPolarHBondContact O-CA 3.49Å; Y656-R659 WeakPolarHBondContact O-CB 3.4Å; Y656-R659 PolarHBondContact O-N 3.13Å; Y656-S660 PolarHBondContact O-N 3.28Å; Y656-T1352 HydrophobicContact CE1-CG2 3.72Å
657S86.3Confident87.1Confident68 Ų6877.9 Ų77.948%0.47639%0.385SS..Hα-helixtrans-34.9-56.4179.258.10000115.4Q653 R654 S660 A661Q653-S657 PolarHBondContact O-N 2.9Å; R654-S657 PolarHBondContact O-OG 3.39Å; S657-S660 WeakPolarHBondContact O-CB 3.07Å; S657-S660 PolarHBondContact O-N 3.44Å; S657-A661 PolarHBondContact O-N 3.15Å
658R84.4Confident87.7Confident131 Ų13180.1 Ų80.149%0.49440%0.397SS..Hα-helixtrans-70-32-179.4-177.1171.2-72.3177.3-1.6113.8Y656 Y662 W694 R698Y656-R658 PolarHBondContact O-N 2.76Å; Y656-R658 VanDerWaalsContact O-N 3.13Å; R658-Y662 PolarHBondContact O-N 3.26Å; R658-Y662 VanDerWaalsContact O-N 3.13Å; R658-W694 HydrophobicContact CG-CZ2 4.26Å; R658-R698 VanDerWaalsContact CD-O 3.31Å; R658-R698 WeakPolarHBondContact CD-O 3.35Å; R658-R698 PolarHBondContact NE-O 3.17Å
659R87.3Confident88.1Confident144 Ų14479.5 Ų79.554%0.54339%0.392SS..Hα-helixtrans-71.8-39.3174.7-172.4177178131.9-0.4110.6Y656 Y662 Q663Y656-R659 HydrophobicContact CD1-CB 4.48Å; Y656-R659 WeakPolarHBondContact O-CA 3.49Å; Y656-R659 WeakPolarHBondContact O-CB 3.4Å; Y656-R659 PolarHBondContact O-N 3.13Å; R659-Y662 PolarHBondContact O-N 2.91Å; R659-Q663 WeakPolarHBondContact O-CB 3.48Å; R659-Q663 VanDerWaalsContact O-CG 3.3Å; R659-Q663 WeakPolarHBondContact O-CG 3.49Å; R659-Q663 PolarHBondContact O-N 3.39Å; R659-Q663 PolarHBondContact O-OE1 3.41Å
660S89.6Confident88.3Confident64 Ų6479.8 Ų79.845%0.44839%0.388SS..Hα-helixtrans-58.4-51.8171.3-172.80000110.8Y656 S657 Y662 Q663 T664Y656-S660 PolarHBondContact O-N 3.28Å; S657-S660 WeakPolarHBondContact O-CB 3.07Å; S657-S660 PolarHBondContact O-N 3.44Å; S660-Y662 VanDerWaalsContact C-N 3.32Å; S660-Y662 PolarHBondContact O-N 3.01Å; S660-Q663 CarbonylContact O-C 3.55Å; S660-Q663 WeakPolarHBondContact O-CA 3.09Å; S660-Q663 PolarHBondContact O-N 3.17Å; S660-T664 PolarHBondContact O-N 3.05Å; S660-T664 PolarHBondContact O-OG1 3.33Å
661A90.2Very high88.8Confident44 Ų4479.2 Ų79.236%0.36438%0.382SS..Hα-helixtrans-56.4-41.5177.400000113.5S657 K665 W694S657-A661 PolarHBondContact O-N 3.15Å; A661-K665 WeakPolarHBondContact O-CB 3.48Å; A661-K665 PolarHBondContact O-N 3.43Å; A661-W694 HydrophobicContact CB-CH2 4.19Å
662Y91.6Very high89.4Confident57 Ų5782.9 Ų82.922%0.22440%0.397CS..Hα-helixtrans-61.7-46.8171.8174.8-111.4000112.2R658 R659 S660 K665 N666 F690 W694R658-Y662 PolarHBondContact O-N 3.26Å; R658-Y662 VanDerWaalsContact O-N 3.13Å; R659-Y662 PolarHBondContact O-N 2.91Å; S660-Y662 VanDerWaalsContact C-N 3.32Å; S660-Y662 PolarHBondContact O-N 3.01Å; Y662-K665 PolarHBondContact O-N 3.28Å; Y662-N666 WeakPolarHBondContact O-CB 3.45Å; Y662-N666 PolarHBondContact O-N 3.03Å; Y662-N666 PolarHBondContact OH-ND2 3.04Å; Y662-F690 AromaticContact CD2-CE1 3.85Å; Y662-F690 HydrophobicContact CD2-CE1 3.85Å; Y662-F690 HydrophobicContact CD2-CZ 4.16Å; Y662-F690 HydrophobicContact CE2-CD1 4.24Å; Y662-F690 AromaticContact CE2-CE1 3.52Å; Y662-F690 HydrophobicContact CE2-CE1 3.52Å; Y662-F690 HydrophobicContact CE2-CZ 4.27Å; Y662-W694 HydrophobicContact CD2-CB 4.41Å; Y662-W694 AromaticContact CD2-CD1 3.62Å; Y662-W694 AromaticContact CD2-CD2 3.68Å; Y662-W694 HydrophobicContact CD2-CD2 3.68Å; Y662-W694 AromaticContact CD2-CE2 3.71Å; Y662-W694 HydrophobicContact CD2-CE3 4.34Å; Y662-W694 AromaticContact CD2-CG 3.66Å; Y662-W694 HydrophobicContact CD2-CG 3.66Å; Y662-W694 HydrophobicContact CD2-CZ2 4.4Å; Y662-W694 AromaticContact CD2-NE1 3.65Å; Y662-W694 HydrophobicContact CE2-CB 4.41Å; Y662-W694 HydrophobicContact CE2-CG 4.08Å; Y662-W694 HydrophobicContact CG-CD2 4.49Å; Y662-W694 HydrophobicContact CG-CZ2 4.45Å; Y662-W694 AromaticContact CG-NE1 3.96Å
663Q92.1Very high89.8Confident104 Ų10479 Ų7949%0.48638%0.377SS..Hα-helixtrans-65.3-42.1-178.8-73.7175-66.200111.9R659 S660 Q667R659-Q663 WeakPolarHBondContact O-CB 3.48Å; R659-Q663 VanDerWaalsContact O-CG 3.3Å; R659-Q663 WeakPolarHBondContact O-CG 3.49Å; R659-Q663 PolarHBondContact O-N 3.39Å; R659-Q663 PolarHBondContact O-OE1 3.41Å; S660-Q663 CarbonylContact O-C 3.55Å; S660-Q663 WeakPolarHBondContact O-CA 3.09Å; S660-Q663 PolarHBondContact O-N 3.17Å; Q663-Q667 WeakPolarHBondContact O-CB 3.48Å; Q663-Q667 PolarHBondContact O-N 3.18Å
664T92.7Very high90.1Very high70 Ų7080.1 Ų80.143%0.42938%0.376SS..Hα-helixtrans-58.7-55171.7-55.90000110.5S660 N666 Q667 D668S660-T664 PolarHBondContact O-N 3.05Å; S660-T664 PolarHBondContact O-OG1 3.33Å; T664-N666 VanDerWaalsContact C-N 3.31Å; T664-N666 PolarHBondContact O-N 3.4Å; T664-Q667 CarbonylContact O-C 3.57Å; T664-Q667 WeakPolarHBondContact O-CA 3.24Å; T664-Q667 WeakPolarHBondContact O-CB 3.31Å; T664-Q667 PolarHBondContact O-N 3.42Å; T664-D668 PolarHBondContact O-N 3.33Å
665K91.9Very high90.7Very high113 Ų11377.9 Ų77.949%0.49138%0.38SS..Hα-helixtrans-63.6-33.5-178.3-73.7-73.5158.6-137.60113.9A661 Y662 Q667 D668 L669 F690A661-K665 WeakPolarHBondContact O-CB 3.48Å; A661-K665 PolarHBondContact O-N 3.43Å; Y662-K665 PolarHBondContact O-N 3.28Å; K665-Q667 VanDerWaalsContact C-N 3.34Å; K665-D668 WeakPolarHBondContact CD-OD2 3.32Å; K665-D668 IonicContact NZ-OD2 3.93Å; K665-D668 PolarHBondContact NZ-OD2 3.23Å; K665-L669 VanDerWaalsContact O-CB 3.27Å; K665-L669 WeakPolarHBondContact O-CB 3.35Å; K665-L669 PolarHBondContact O-N 2.81Å; K665-F690 HydrophobicContact CB-CE2 4.08Å; K665-F690 HydrophobicContact CB-CZ 3.67Å
666N91.5Very high91.5Very high19 Ų1976.8 Ų76.810%0.10237%0.374CS..Hα-helixtrans-68.8-32.8172.1-169.2-19.3000111.7Y662 T664 K670 F690Y662-N666 WeakPolarHBondContact O-CB 3.45Å; Y662-N666 PolarHBondContact O-N 3.03Å; Y662-N666 PolarHBondContact OH-ND2 3.04Å; T664-N666 VanDerWaalsContact C-N 3.31Å; T664-N666 PolarHBondContact O-N 3.4Å; N666-K670 WeakPolarHBondContact O-CD 3.11Å; N666-K670 VanDerWaalsContact O-CG 3.26Å; N666-K670 WeakPolarHBondContact O-CG 3.38Å; N666-K670 PolarHBondContact O-N 3.48Å; N666-K670 WeakPolarHBondContact OD1-CE 3.33Å; N666-K670 PolarHBondContact OD1-NZ 3.43Å; N666-F690 HydrophobicContact CB-CE1 4.02Å
667Q93.7Very high91.8Very high74 Ų7480.4 Ų80.435%0.34639%0.394SS..Hα-helixtrans-74.7-46.6174.6-170.154.536.300111.8Q663 T664 K665 L669 K670 D671Q663-Q667 WeakPolarHBondContact O-CB 3.48Å; Q663-Q667 PolarHBondContact O-N 3.18Å; T664-Q667 CarbonylContact O-C 3.57Å; T664-Q667 WeakPolarHBondContact O-CA 3.24Å; T664-Q667 WeakPolarHBondContact O-CB 3.31Å; T664-Q667 PolarHBondContact O-N 3.42Å; K665-Q667 VanDerWaalsContact C-N 3.34Å; Q667-L669 PolarHBondContact O-N 3.23Å; Q667-K670 WeakPolarHBondContact O-CB 3.19Å; Q667-K670 PolarHBondContact O-N 3.27Å; Q667-D671 PolarHBondContact NE2-OD1 3.14Å; Q667-D671 VanDerWaalsContact NE2-OD1 3.15Å; Q667-D671 PolarHBondContact NE2-OD2 2.95Å; Q667-D671 PolarHBondContact O-N 2.99Å
668D94.8Very high92.1Very high70 Ų7078.5 Ų78.537%0.37438%0.378SS..Hα-helixtrans-48.6-48.8170.6-58.8-12.8000110.4T664 K665 D671 F672T664-D668 PolarHBondContact O-N 3.33Å; K665-D668 WeakPolarHBondContact CD-OD2 3.32Å; K665-D668 IonicContact NZ-OD2 3.93Å; K665-D668 PolarHBondContact NZ-OD2 3.23Å; D668-D671 PolarHBondContact O-N 3.01Å; D668-F672 WeakPolarHBondContact O-CB 3.39Å; D668-F672 PolarHBondContact O-N 2.93Å
669L93.6Very high92.6Very high27 Ų2775 Ų7514%0.14137%0.372CS..Hα-helixtrans-64.8-40.5178.6178.257.8000112.6K665 Q667 T673 M686 L687 F690K665-L669 VanDerWaalsContact O-CB 3.27Å; K665-L669 WeakPolarHBondContact O-CB 3.35Å; K665-L669 PolarHBondContact O-N 2.81Å; Q667-L669 PolarHBondContact O-N 3.23Å; L669-T673 HydrophobicContact CD1-CG2 4.43Å; L669-T673 VanDerWaalsContact O-CG2 3.25Å; L669-T673 WeakPolarHBondContact O-CG2 3.24Å; L669-T673 PolarHBondContact O-N 2.99Å; L669-T673 PolarHBondContact O-OG1 2.8Å; L669-M686 HydrophobicContact CD1-CE 3.93Å; L669-L687 HydrophobicContact CD2-CD2 3.88Å; L669-L687 HydrophobicContact CG-CD2 4.24Å; L669-F690 HydrophobicContact CD2-CB 3.68Å; L669-F690 HydrophobicContact CD2-CD1 4.01Å; L669-F690 HydrophobicContact CD2-CD2 4.35Å; L669-F690 HydrophobicContact CD2-CG 3.74Å
670K92.1Very high92.8Very high74 Ų7476.9 Ų76.932%0.32238%0.384SS..Hα-helixtrans-64.1-41.9174.7-77.9163-176.7154.10111.7N666 Q667 T673 R674N666-K670 WeakPolarHBondContact O-CD 3.11Å; N666-K670 VanDerWaalsContact O-CG 3.26Å; N666-K670 WeakPolarHBondContact O-CG 3.38Å; N666-K670 PolarHBondContact O-N 3.48Å; N666-K670 WeakPolarHBondContact OD1-CE 3.33Å; N666-K670 PolarHBondContact OD1-NZ 3.43Å; Q667-K670 WeakPolarHBondContact O-CB 3.19Å; Q667-K670 PolarHBondContact O-N 3.27Å; K670-T673 PolarHBondContact O-N 3.13Å; K670-T673 PolarHBondContact O-OG1 3.18Å; K670-R674 WeakPolarHBondContact O-CD 3.34Å; K670-R674 VanDerWaalsContact O-CG 3.31Å; K670-R674 WeakPolarHBondContact O-CG 3.45Å; K670-R674 PolarHBondContact O-N 2.69Å
671D93.9Very high92.8Very high67 Ų6778.7 Ų78.736%0.35840%0.395SS..Hα-helixtrans-74.7-33.6-178.8-66.3-29.3000111.9Q667 D668 R674 A675Q667-D671 PolarHBondContact NE2-OD1 3.14Å; Q667-D671 VanDerWaalsContact NE2-OD1 3.15Å; Q667-D671 PolarHBondContact NE2-OD2 2.95Å; Q667-D671 PolarHBondContact O-N 2.99Å; D668-D671 PolarHBondContact O-N 3.01Å; D671-R674 WeakPolarHBondContact O-CB 3.29Å; D671-R674 PolarHBondContact O-N 2.64Å; D671-R674 VanDerWaalsContact OD1-CD 3.25Å; D671-R674 WeakPolarHBondContact OD1-CD 3.25Å; D671-R674 IonicContact OD1-CZ 2.7Å; D671-R674 IonicContact OD1-NE 2.77Å; D671-R674 IonicContact OD1-NH1 2.85Å; D671-R674 PolarHBondContact OD1-NH1 3.27Å; D671-A675 WeakPolarHBondContact O-CB 3.41Å; D671-A675 PolarHBondContact O-N 3.11Å
672F94.9Very high92.9Very high100 Ų10079.8 Ų79.844%0.43939%0.394SS..Hα-helixtrans-57.6-48.9165.3-177.9-95.5000112.1D668 R674 A675 H676 I678 M686D668-F672 WeakPolarHBondContact O-CB 3.39Å; D668-F672 PolarHBondContact O-N 2.93Å; F672-R674 PolarHBondContact O-N 3.22Å; F672-A675 PolarHBondContact O-N 3.08Å; F672-H676 AromaticContact CD2-CD2 3.61Å; F672-H676 AromaticContact CD2-NE2 3.92Å; F672-H676 AromaticContact CE2-CD2 3.34Å; F672-H676 WeakPolarHBondContact CE2-CD2 3.49Å; F672-H676 AromaticContact CE2-NE2 3.56Å; F672-H676 AromaticContact CZ-CD2 3.66Å; F672-H676 PolarHBondContact O-N 3.38Å; F672-H676 VanDerWaalsContact O-N 3.11Å; F672-I678 HydrophobicContact CD1-CD1 3.84Å; F672-I678 HydrophobicContact CE1-CD1 3.64Å; F672-M686 HydrophobicContact CD1-CE 4.14Å; F672-M686 HydrophobicContact CE1-CE 3.96Å
673T92.9Very high92.8Very high3 Ų379.8 Ų79.82%0.01840%0.395CS..Hα-helixtrans-66.5-23.1177.865.10000113.6L669 K670 I678 K683 M686L669-T673 HydrophobicContact CD1-CG2 4.43Å; L669-T673 VanDerWaalsContact O-CG2 3.25Å; L669-T673 WeakPolarHBondContact O-CG2 3.24Å; L669-T673 PolarHBondContact O-N 2.99Å; L669-T673 PolarHBondContact O-OG1 2.8Å; K670-T673 PolarHBondContact O-N 3.13Å; K670-T673 PolarHBondContact O-OG1 3.18Å; T673-I678 HydrophobicContact CG2-CB 4.46Å; T673-I678 HydrophobicContact CG2-CD1 4.08Å; T673-I678 PolarHBondContact O-N 3.2Å; T673-I678 VanDerWaalsContact O-N 3.12Å; T673-K683 HydrophobicContact CG2-CB 4.45Å; T673-K683 HydrophobicContact CG2-CD 4.31Å; T673-K683 HydrophobicContact CG2-CG 4Å; T673-K683 VanDerWaalsContact OG1-CE 3.27Å; T673-K683 WeakPolarHBondContact OG1-CE 3.49Å; T673-K683 PolarHBondContact OG1-NZ 3.42Å; T673-M686 HydrophobicContact CG2-SD 4.31Å
674R91.9Very high92.7Very high151 Ų15179.5 Ų79.557%0.5739%0.394SS*.Hα-helixtrans-76.5-51.2172.3-73.8159.4162.2173.6-8.2110.7K670 D671 F672 H676 H677K670-R674 WeakPolarHBondContact O-CD 3.34Å; K670-R674 VanDerWaalsContact O-CG 3.31Å; K670-R674 WeakPolarHBondContact O-CG 3.45Å; K670-R674 PolarHBondContact O-N 2.69Å; D671-R674 WeakPolarHBondContact O-CB 3.29Å; D671-R674 PolarHBondContact O-N 2.64Å; D671-R674 VanDerWaalsContact OD1-CD 3.25Å; D671-R674 WeakPolarHBondContact OD1-CD 3.25Å; D671-R674 IonicContact OD1-CZ 2.7Å; D671-R674 IonicContact OD1-NE 2.77Å; D671-R674 IonicContact OD1-NH1 2.85Å; D671-R674 PolarHBondContact OD1-NH1 3.27Å; F672-R674 PolarHBondContact O-N 3.22Å; R674-H676 VanDerWaalsContact C-N 3.3Å; R674-H676 PolarHBondContact O-N 2.96Å; R674-H677 PolarHBondContact O-N 3.27Å
675A94.8Very high92.5Very high60 Ų6081.3 Ų81.350%0.49639%0.393SS..Hα-helixtrans-63.4-31.6-175.400000113.8D671 F672D671-A675 WeakPolarHBondContact O-CB 3.41Å; D671-A675 PolarHBondContact O-N 3.11Å; F672-A675 PolarHBondContact O-N 3.08Å
676H94.6Very high92.5Very high80 Ų8078.5 Ų78.537%0.3738%0.382SS..THydrogen-bonded Turntrans-102.514.5177.2-63.9-52.6000114F672 R674 I678F672-H676 AromaticContact CD2-CD2 3.61Å; F672-H676 AromaticContact CD2-NE2 3.92Å; F672-H676 AromaticContact CE2-CD2 3.34Å; F672-H676 WeakPolarHBondContact CE2-CD2 3.49Å; F672-H676 AromaticContact CE2-NE2 3.56Å; F672-H676 AromaticContact CZ-CD2 3.66Å; F672-H676 PolarHBondContact O-N 3.38Å; F672-H676 VanDerWaalsContact O-N 3.11Å; R674-H676 VanDerWaalsContact C-N 3.3Å; R674-H676 PolarHBondContact O-N 2.96Å; H676-I678 HydrophobicContact CB-CD1 4.35Å; H676-I678 HydrophobicContact CB-CG1 3.94Å; H676-I678 PolarHBondContact O-N 3.03Å
677H92.9Very high92.4Very high168 Ų16878.6 Ų78.678%0.77838%0.383SS*.THydrogen-bonded Turntrans48.337.2177.6-62.3-81.1000114.5R674R674-H677 PolarHBondContact O-N 3.27Å
678I92.9Very high92.1Very high28 Ų2879.6 Ų79.614%0.14439%0.387CS..  trans-62.4129.6-169-61.7-172.1000110.6F672 T673 H676 L682 K683 M686F672-I678 HydrophobicContact CD1-CD1 3.84Å; F672-I678 HydrophobicContact CE1-CD1 3.64Å; T673-I678 HydrophobicContact CG2-CB 4.46Å; T673-I678 HydrophobicContact CG2-CD1 4.08Å; T673-I678 PolarHBondContact O-N 3.2Å; T673-I678 VanDerWaalsContact O-N 3.12Å; H676-I678 HydrophobicContact CB-CD1 4.35Å; H676-I678 HydrophobicContact CB-CG1 3.94Å; H676-I678 PolarHBondContact O-N 3.03Å; I678-L682 HydrophobicContact CG2-CB 4.06Å; I678-L682 HydrophobicContact CG2-CD2 3.99Å; I678-L682 HydrophobicContact CG2-CG 3.9Å; I678-K683 HydrophobicContact CG2-CB 4.2Å; I678-M686 HydrophobicContact CD1-CE 4.2Å; I678-M686 HydrophobicContact CD1-SD 3.94Å; I678-M686 HydrophobicContact CG2-SD 4.12Å
679P94.3Very high91.7Very high58 Ų5879.6 Ų79.638%0.37738%0.384SS..  trans-61.6144.6-175.823.5-33.4000112.1L682 K683P679-L682 HydrophobicContact CG-CB 4.17Å; P679-L682 PolarHBondContact O-N 3.01Å; P679-L682 VanDerWaalsContact O-N 3.15Å; P679-K683 WeakPolarHBondContact O-CB 3.34Å; P679-K683 PolarHBondContact O-N 2.92Å
680K91.3Very high91.5Very high183 Ų18380.2 Ų80.280%0.79639%0.385SS*.Hα-helixtrans-45.6-48.6-175.1-67.6-179.5-178.1173.90115.1K683 Q684K680-K683 PolarHBondContact O-N 3.31Å; K680-Q684 PolarHBondContact O-N 2.91Å
681P90.9Very high91.4Very high102 Ų10281.1 Ų81.166%0.66239%0.391SS*.Hα-helixtrans-63.5-46.9179.722.9-33.8000112.9K683 Q684 R685P681-K683 VanDerWaalsContact C-N 3.33Å; P681-K683 PolarHBondContact O-N 2.73Å; P681-Q684 PolarHBondContact O-N 3.32Å; P681-Q684 VanDerWaalsContact O-N 3.16Å; P681-R685 PolarHBondContact O-N 3.16Å
682L90.9Very high91Very high67 Ų6778.9 Ų78.935%0.35138%0.382SS..Hα-helixtrans-62.7-41.8177.3-179.955.7000111.2I678 P679 Q684 R685 M686I678-L682 HydrophobicContact CG2-CB 4.06Å; I678-L682 HydrophobicContact CG2-CD2 3.99Å; I678-L682 HydrophobicContact CG2-CG 3.9Å; P679-L682 HydrophobicContact CG-CB 4.17Å; P679-L682 PolarHBondContact O-N 3.01Å; P679-L682 VanDerWaalsContact O-N 3.15Å; L682-Q684 VanDerWaalsContact C-N 3.29Å; L682-Q684 PolarHBondContact O-N 3.04Å; L682-R685 PolarHBondContact O-N 2.99Å; L682-M686 HydrophobicContact CD1-CG 4.31Å; L682-M686 HydrophobicContact CG-CG 4.49Å; L682-M686 HydrophobicContact CG-SD 4.25Å; L682-M686 VanDerWaalsContact O-CG 3.25Å; L682-M686 WeakPolarHBondContact O-CG 3.4Å; L682-M686 PolarHBondContact O-N 3.16Å
683K90.7Very high90.5Very high57 Ų5776.9 Ų76.925%0.24837%0.374CS..Hα-helixtrans-58.7-38.5174.3174.2169.7-178.21470112.7T673 I678 P679 K680 P681 L687T673-K683 HydrophobicContact CG2-CB 4.45Å; T673-K683 HydrophobicContact CG2-CD 4.31Å; T673-K683 HydrophobicContact CG2-CG 4Å; T673-K683 VanDerWaalsContact OG1-CE 3.27Å; T673-K683 WeakPolarHBondContact OG1-CE 3.49Å; T673-K683 PolarHBondContact OG1-NZ 3.42Å; I678-K683 HydrophobicContact CG2-CB 4.2Å; P679-K683 WeakPolarHBondContact O-CB 3.34Å; P679-K683 PolarHBondContact O-N 2.92Å; K680-K683 PolarHBondContact O-N 3.31Å; P681-K683 VanDerWaalsContact C-N 3.33Å; P681-K683 PolarHBondContact O-N 2.73Å; K683-L687 HydrophobicContact CG-CD1 4.16Å; K683-L687 WeakPolarHBondContact O-CG 3.26Å; K683-L687 PolarHBondContact O-N 3.41Å
684Q90.1Very high90.3Very high98 Ų9879.4 Ų79.446%0.45838%0.384SS..Hα-helixtrans-67.2-50.9176.4-173.863.817.900110.9K680 P681 L682 M686 L687 E688K680-Q684 PolarHBondContact O-N 2.91Å; P681-Q684 PolarHBondContact O-N 3.32Å; P681-Q684 VanDerWaalsContact O-N 3.16Å; L682-Q684 VanDerWaalsContact C-N 3.29Å; L682-Q684 PolarHBondContact O-N 3.04Å; Q684-M686 VanDerWaalsContact C-N 3.3Å; Q684-M686 PolarHBondContact O-N 3.02Å; Q684-L687 PolarHBondContact O-N 3.3Å; Q684-E688 HydrophobicContact CG-CG 4.47Å; Q684-E688 WeakPolarHBondContact CG-OE1 3.4Å; Q684-E688 PolarHBondContact NE2-OE1 3.28Å; Q684-E688 WeakPolarHBondContact O-CG 3.25Å; Q684-E688 PolarHBondContact O-N 3.06Å
685R88.8Confident90Very high109 Ų10975.5 Ų75.541%0.41138%0.384SS..Hα-helixtrans-54.6-43.5175.5178.1173.7165.5-162.4-7.6112.2P681 L682 L687 E688 F689 E755P681-R685 PolarHBondContact O-N 3.16Å; L682-R685 PolarHBondContact O-N 2.99Å; R685-L687 PolarHBondContact O-N 3.37Å; R685-E688 PolarHBondContact O-N 3.45Å; R685-F689 VanDerWaalsContact O-CB 3.25Å; R685-F689 WeakPolarHBondContact O-CB 3.37Å; R685-F689 PolarHBondContact O-N 3.15Å; R685-E755 IonicContact CZ-OE1 2.89Å; R685-E755 IonicContact NE-OE1 2.72Å; R685-E755 PolarHBondContact NE-OE1 3.44Å; R685-E755 IonicContact NH2-OE1 2.87Å; R685-E755 PolarHBondContact NH2-OE1 3.27Å
686M90.6Very high89.3Confident53 Ų5377 Ų7726%0.26138%0.382SS..Hα-helixtrans-61-40.3175.6-70.8174.983.300113L669 F672 T673 I678 L682 Q684 F690L669-M686 HydrophobicContact CD1-CE 3.93Å; F672-M686 HydrophobicContact CD1-CE 4.14Å; F672-M686 HydrophobicContact CE1-CE 3.96Å; T673-M686 HydrophobicContact CG2-SD 4.31Å; I678-M686 HydrophobicContact CD1-CE 4.2Å; I678-M686 HydrophobicContact CD1-SD 3.94Å; I678-M686 HydrophobicContact CG2-SD 4.12Å; L682-M686 HydrophobicContact CD1-CG 4.31Å; L682-M686 HydrophobicContact CG-CG 4.49Å; L682-M686 HydrophobicContact CG-SD 4.25Å; L682-M686 VanDerWaalsContact O-CG 3.25Å; L682-M686 WeakPolarHBondContact O-CG 3.4Å; L682-M686 PolarHBondContact O-N 3.16Å; Q684-M686 VanDerWaalsContact C-N 3.3Å; Q684-M686 PolarHBondContact O-N 3.02Å; M686-F690 VanDerWaalsContact O-CB 3.29Å; M686-F690 WeakPolarHBondContact O-CB 3.41Å; M686-F690 PolarHBondContact O-N 3.38Å
687L90.1Very high88.8Confident22 Ų2276.7 Ų76.712%0.11538%0.384CS..Hα-helixtrans-73.5-37179.4-75167.4000112.2L669 K683 Q684 R685 Q691L669-L687 HydrophobicContact CD2-CD2 3.88Å; L669-L687 HydrophobicContact CG-CD2 4.24Å; K683-L687 HydrophobicContact CG-CD1 4.16Å; K683-L687 WeakPolarHBondContact O-CG 3.26Å; K683-L687 PolarHBondContact O-N 3.41Å; Q684-L687 PolarHBondContact O-N 3.3Å; R685-L687 PolarHBondContact O-N 3.37Å; L687-Q691 WeakPolarHBondContact O-CB 3.27Å; L687-Q691 VanDerWaalsContact O-CG 3.24Å; L687-Q691 WeakPolarHBondContact O-CG 3.49Å; L687-Q691 PolarHBondContact O-N 3.04Å; L687-Q691 PolarHBondContact O-NE2 3.17Å
688E87.3Confident88.2Confident95 Ų9577.1 Ų77.144%0.44438%0.379SS..Hα-helixtrans-69.4-47176.3-72.6169171.700111.2Q684 R685 F690 Q691 A692Q684-E688 HydrophobicContact CG-CG 4.47Å; Q684-E688 WeakPolarHBondContact CG-OE1 3.4Å; Q684-E688 PolarHBondContact NE2-OE1 3.28Å; Q684-E688 WeakPolarHBondContact O-CG 3.25Å; Q684-E688 PolarHBondContact O-N 3.06Å; R685-E688 PolarHBondContact O-N 3.45Å; E688-F690 PolarHBondContact O-N 3.47Å; E688-Q691 PolarHBondContact O-N 3.39Å; E688-A692 WeakPolarHBondContact O-CB 3.4Å; E688-A692 PolarHBondContact O-N 2.91Å
689F86.9Confident87.5Confident69 Ų6977.1 Ų77.130%0.30339%0.386SS..Hα-helixtrans-56.6-47.9172.7178.7-90.3000111.6R685 Q691 A692 M693 T752R685-F689 VanDerWaalsContact O-CB 3.25Å; R685-F689 WeakPolarHBondContact O-CB 3.37Å; R685-F689 PolarHBondContact O-N 3.15Å; F689-Q691 VanDerWaalsContact C-N 3.34Å; F689-Q691 PolarHBondContact O-N 3.13Å; F689-A692 PolarHBondContact O-N 2.94Å; F689-M693 HydrophobicContact CE1-CE 4.26Å; F689-M693 HydrophobicContact CE2-CE 4.37Å; F689-M693 HydrophobicContact CZ-CE 3.67Å; F689-M693 WeakPolarHBondContact O-CB 3.48Å; F689-M693 PolarHBondContact O-N 3.15Å; F689-T752 HydrophobicContact CD2-CG2 4.37Å
690F89.2Confident87Confident40 Ų4077.8 Ų77.818%0.17539%0.385CS..Hα-helixtrans-61.3-40.6177.4176.9-103000112.5Y662 K665 N666 L669 M686 E688 W694Y662-F690 AromaticContact CD2-CE1 3.85Å; Y662-F690 HydrophobicContact CD2-CE1 3.85Å; Y662-F690 HydrophobicContact CD2-CZ 4.16Å; Y662-F690 HydrophobicContact CE2-CD1 4.24Å; Y662-F690 AromaticContact CE2-CE1 3.52Å; Y662-F690 HydrophobicContact CE2-CE1 3.52Å; Y662-F690 HydrophobicContact CE2-CZ 4.27Å; K665-F690 HydrophobicContact CB-CE2 4.08Å; K665-F690 HydrophobicContact CB-CZ 3.67Å; N666-F690 HydrophobicContact CB-CE1 4.02Å; L669-F690 HydrophobicContact CD2-CB 3.68Å; L669-F690 HydrophobicContact CD2-CD1 4.01Å; L669-F690 HydrophobicContact CD2-CD2 4.35Å; L669-F690 HydrophobicContact CD2-CG 3.74Å; M686-F690 VanDerWaalsContact O-CB 3.29Å; M686-F690 WeakPolarHBondContact O-CB 3.41Å; M686-F690 PolarHBondContact O-N 3.38Å; E688-F690 PolarHBondContact O-N 3.47Å; F690-W694 HydrophobicContact CE2-CE3 4.23Å; F690-W694 HydrophobicContact CZ-CE3 4.02Å; F690-W694 WeakPolarHBondContact O-CB 3.38Å; F690-W694 PolarHBondContact O-N 3.38Å
691Q89.5Confident86.6Confident93 Ų9373.9 Ų73.944%0.43537%0.373SS..Hα-helixtrans-66.5-46.5177.4-78.7168.876.300112.2L687 E688 F689 W694 A695L687-Q691 WeakPolarHBondContact O-CB 3.27Å; L687-Q691 VanDerWaalsContact O-CG 3.24Å; L687-Q691 WeakPolarHBondContact O-CG 3.49Å; L687-Q691 PolarHBondContact O-N 3.04Å; L687-Q691 PolarHBondContact O-NE2 3.17Å; E688-Q691 PolarHBondContact O-N 3.39Å; F689-Q691 VanDerWaalsContact C-N 3.34Å; F689-Q691 PolarHBondContact O-N 3.13Å; Q691-W694 PolarHBondContact O-N 3.5Å; Q691-A695 WeakPolarHBondContact O-CB 3.27Å; Q691-A695 PolarHBondContact O-N 3.39Å
692A85.6Confident86.2Confident20 Ų2072.7 Ų72.717%0.16536%0.357CS..Hα-helixtrans-63.8-49177.900000111.7E688 F689 W694 A695 I696 F750E688-A692 WeakPolarHBondContact O-CB 3.4Å; E688-A692 PolarHBondContact O-N 2.91Å; F689-A692 PolarHBondContact O-N 2.94Å; A692-W694 VanDerWaalsContact C-N 3.31Å; A692-W694 PolarHBondContact O-N 2.85Å; A692-A695 PolarHBondContact O-N 2.98Å; A692-A695 VanDerWaalsContact O-N 3.13Å; A692-I696 WeakPolarHBondContact O-CG1 3.43Å; A692-I696 PolarHBondContact O-N 3.18Å; A692-F750 HydrophobicContact CB-CE1 3.7Å; A692-F750 HydrophobicContact CB-CZ 4.15Å
693M84.4Confident85.8Confident58 Ų5873.9 Ų73.929%0.28636%0.361SS..Hα-helixtrans-59.7-40.2176.7-17665.190.500111.8F689 N697 F750F689-M693 HydrophobicContact CE1-CE 4.26Å; F689-M693 HydrophobicContact CE2-CE 4.37Å; F689-M693 HydrophobicContact CZ-CE 3.67Å; F689-M693 WeakPolarHBondContact O-CB 3.48Å; F689-M693 PolarHBondContact O-N 3.15Å; M693-N697 WeakPolarHBondContact O-CB 3.33Å; M693-N697 PolarHBondContact O-N 3.41Å; M693-N697 PolarHBondContact SD-ND2 2.95Å; M693-F750 HydrophobicContact CE-CB 4.48Å
694W87.9Confident85.5Confident56 Ų5673.8 Ų73.821%0.21237%0.371CS..Hα-helixtrans-70-34.7175.7-171.4-83.1000112.9R658 A661 Y662 F690 Q691 A692 R698 G699R658-W694 HydrophobicContact CG-CZ2 4.26Å; A661-W694 HydrophobicContact CB-CH2 4.19Å; Y662-W694 HydrophobicContact CD2-CB 4.41Å; Y662-W694 AromaticContact CD2-CD1 3.62Å; Y662-W694 AromaticContact CD2-CD2 3.68Å; Y662-W694 HydrophobicContact CD2-CD2 3.68Å; Y662-W694 AromaticContact CD2-CE2 3.71Å; Y662-W694 HydrophobicContact CD2-CE3 4.34Å; Y662-W694 AromaticContact CD2-CG 3.66Å; Y662-W694 HydrophobicContact CD2-CG 3.66Å; Y662-W694 HydrophobicContact CD2-CZ2 4.4Å; Y662-W694 AromaticContact CD2-NE1 3.65Å; Y662-W694 HydrophobicContact CE2-CB 4.41Å; Y662-W694 HydrophobicContact CE2-CG 4.08Å; Y662-W694 HydrophobicContact CG-CD2 4.49Å; Y662-W694 HydrophobicContact CG-CZ2 4.45Å; Y662-W694 AromaticContact CG-NE1 3.96Å; F690-W694 HydrophobicContact CE2-CE3 4.23Å; F690-W694 HydrophobicContact CZ-CE3 4.02Å; F690-W694 WeakPolarHBondContact O-CB 3.38Å; F690-W694 PolarHBondContact O-N 3.38Å; Q691-W694 PolarHBondContact O-N 3.5Å; A692-W694 VanDerWaalsContact C-N 3.31Å; A692-W694 PolarHBondContact O-N 2.85Å; W694-R698 WeakPolarHBondContact O-CA 3.37Å; W694-R698 PolarHBondContact O-N 2.79Å; W694-G699 PolarHBondContact O-N 2.99Å
695A85.9Confident85.3Confident70 Ų7072.4 Ų72.458%0.57937%0.366SS*.Hα-helixtrans-66.1-43.9175.900000111.8Q691 A692Q691-A695 WeakPolarHBondContact O-CB 3.27Å; Q691-A695 PolarHBondContact O-N 3.39Å; A692-A695 PolarHBondContact O-N 2.98Å; A692-A695 VanDerWaalsContact O-N 3.13Å
696I81.3Confident85.1Confident90 Ų9068.5 Ų68.546%0.46235%0.353SS..Hα-helixtrans-66.1-58.6178-65.9164.1000110.4A692 R698 F750A692-I696 WeakPolarHBondContact O-CG1 3.43Å; A692-I696 PolarHBondContact O-N 3.18Å; I696-R698 PolarHBondContact O-N 3.05Å; I696-F750 HydrophobicContact CD1-CD1 4.26Å; I696-F750 HydrophobicContact CD1-CD2 3.65Å; I696-F750 HydrophobicContact CD1-CE1 4.01Å; I696-F750 HydrophobicContact CD1-CE2 3.36Å; I696-F750 HydrophobicContact CD1-CG 4.07Å; I696-F750 HydrophobicContact CD1-CZ 3.53Å
697N82.9Confident84.9Confident75 Ų7571.9 Ų71.940%0.40137%0.369SS..Hα-helixtrans-77.2-8-176.5-67.7-18.5000113.5M693 G699 I700M693-N697 WeakPolarHBondContact O-CB 3.33Å; M693-N697 PolarHBondContact O-N 3.41Å; M693-N697 PolarHBondContact SD-ND2 2.95Å; N697-G699 PolarHBondContact O-N 3.46Å; N697-G699 VanDerWaalsContact O-N 3.12Å; N697-I700 VanDerWaalsContact O-CB 3.26Å; N697-I700 WeakPolarHBondContact O-CB 3.36Å; N697-I700 WeakPolarHBondContact O-CG1 3.25Å; N697-I700 PolarHBondContact O-N 2.89Å
698R79.9Confident84.6Confident177 Ų17774.9 Ų74.967%0.66839%0.391SS*.THydrogen-bonded Turntrans53.629.8-177-58.2179.3174.2-175.7-3.4113.8R658 W694 I696R658-R698 VanDerWaalsContact CD-O 3.31Å; R658-R698 WeakPolarHBondContact CD-O 3.35Å; R658-R698 PolarHBondContact NE-O 3.17Å; W694-R698 WeakPolarHBondContact O-CA 3.37Å; W694-R698 PolarHBondContact O-N 2.79Å; I696-R698 PolarHBondContact O-N 3.05Å
699G78.8Confident84.7Confident28 Ų2873.5 Ų73.529%0.28938%0.384SS..THydrogen-bonded Turntrans6830.4-17400000114.5W694 N697W694-G699 PolarHBondContact O-N 2.99Å; N697-G699 PolarHBondContact O-N 3.46Å; N697-G699 VanDerWaalsContact O-N 3.12Å
700I85Confident84.8Confident72 Ų7274.3 Ų74.337%0.36940%0.396SS..  trans-107.9130.8176.8-57.7175.7000109N697 I705N697-I700 VanDerWaalsContact O-CB 3.26Å; N697-I700 WeakPolarHBondContact O-CB 3.36Å; N697-I700 WeakPolarHBondContact O-CG1 3.25Å; N697-I700 PolarHBondContact O-N 2.89Å; I700-I705 HydrophobicContact CG2-CD1 3.37Å; I700-I705 HydrophobicContact CG2-CG1 4.37Å
701D81.9Confident84.7Confident101 Ų10178.4 Ų78.454%0.5442%0.416SS..  trans-83.2122.3168.1-177.5-3.3000109.9E703 A704 I705D701-E703 PolarHBondContact OD1-N 3.13Å; D701-A704 HydrophobicContact CB-CB 4.09Å; D701-A704 WeakPolarHBondContact OD2-CB 3.44Å; D701-I705 WeakPolarHBondContact O-CG1 3.49Å
702K82.4Confident84.4Confident77 Ų7780.1 Ų80.134%0.33543%0.428SS..Hα-helixtrans-67.3-40.6178.3174.4175167.4178.60111.3L706 T748K702-L706 HydrophobicContact CG-CD1 3.99Å; K702-L706 WeakPolarHBondContact O-CG 3.34Å; K702-L706 PolarHBondContact O-N 3.03Å; K702-T748 PolarHBondContact NZ-OG1 3.13Å
703E82.6Confident84.6Confident91 Ų9182.7 Ų82.743%0.42544%0.438SS..Hα-helixtrans-78-46.4-170.6-177.252.1-150.600111.2D701 I705 L706 Q707D701-E703 PolarHBondContact OD1-N 3.13Å; E703-I705 PolarHBondContact O-N 3.27Å; E703-L706 PolarHBondContact O-N 2.89Å; E703-Q707 WeakPolarHBondContact O-CG 3.24Å; E703-Q707 PolarHBondContact O-N 3.36Å; E703-Q707 VanDerWaalsContact OE1-CG 3.3Å; E703-Q707 WeakPolarHBondContact OE1-CG 3.5Å; E703-Q707 PolarHBondContact OE1-NE2 3.38Å
704A84.4Confident84.8Confident56 Ų5683.2 Ų83.246%0.46344%0.437SS..Hα-helixtrans-57.9-31.3173.800000113.3D701D701-A704 HydrophobicContact CB-CB 4.09Å; D701-A704 WeakPolarHBondContact OD2-CB 3.44Å
705I86.4Confident84.8Confident69 Ų6980.6 Ų80.635%0.35443%0.428SS..Hα-helixtrans-73.6-45.8172.3-72.9-173.3000111.4I700 D701 E703 Q707 S708 F709I700-I705 HydrophobicContact CG2-CD1 3.37Å; I700-I705 HydrophobicContact CG2-CG1 4.37Å; D701-I705 WeakPolarHBondContact O-CG1 3.49Å; E703-I705 PolarHBondContact O-N 3.27Å; I705-Q707 VanDerWaalsContact C-N 3.33Å; I705-Q707 PolarHBondContact O-N 2.78Å; I705-S708 WeakPolarHBondContact O-CB 3.31Å; I705-S708 PolarHBondContact O-N 3.1Å; I705-S708 VanDerWaalsContact O-N 3.14Å; I705-S708 PolarHBondContact O-OG 2.7Å; I705-F709 HydrophobicContact CG2-CE2 3.92Å; I705-F709 WeakPolarHBondContact O-CD2 3.37Å
706L84.6Confident85Confident26 Ų2680.8 Ų80.814%0.13642%0.419CS..Hα-helixtrans-59-44.6179.6-75.1169.8000111.3K702 E703 S708 F709 R714 I717K702-L706 HydrophobicContact CG-CD1 3.99Å; K702-L706 WeakPolarHBondContact O-CG 3.34Å; K702-L706 PolarHBondContact O-N 3.03Å; E703-L706 PolarHBondContact O-N 2.89Å; L706-S708 PolarHBondContact O-N 2.87Å; L706-S708 VanDerWaalsContact O-N 3.08Å; L706-F709 PolarHBondContact O-N 3.22Å; L706-R714 WeakPolarHBondContact O-CD 3.4Å; L706-R714 VanDerWaalsContact O-CG 3.25Å; L706-R714 WeakPolarHBondContact O-CG 3.2Å; L706-I717 HydrophobicContact CD2-CB 4.29Å; L706-I717 HydrophobicContact CD2-CG2 3.75Å
707Q85.3Confident85.5Confident125 Ų12578.9 Ų78.958%0.58441%0.409SS*.THydrogen-bonded Turntrans-59.4-19.7178.1-68.7179.49.900114.4E703 I705 F709E703-Q707 WeakPolarHBondContact O-CG 3.24Å; E703-Q707 PolarHBondContact O-N 3.36Å; E703-Q707 VanDerWaalsContact OE1-CG 3.3Å; E703-Q707 WeakPolarHBondContact OE1-CG 3.5Å; E703-Q707 PolarHBondContact OE1-NE2 3.38Å; I705-Q707 VanDerWaalsContact C-N 3.33Å; I705-Q707 PolarHBondContact O-N 2.78Å; Q707-F709 PolarHBondContact O-N 3.18Å
708S85.5Confident85.8Confident85 Ų8575.6 Ų75.659%0.59439%0.393SS*.THydrogen-bonded Turntrans-74.8-9.8175.276.50000114.4I705 L706I705-S708 WeakPolarHBondContact O-CB 3.31Å; I705-S708 PolarHBondContact O-N 3.1Å; I705-S708 VanDerWaalsContact O-N 3.14Å; I705-S708 PolarHBondContact O-OG 2.7Å; L706-S708 PolarHBondContact O-N 2.87Å; L706-S708 VanDerWaalsContact O-N 3.08Å
709F88.5Confident86.3Confident65 Ų6569.8 Ų69.829%0.28537%0.374SS..SBendtrans-108.3149.1-177.5-63.9-65.7000113I705 L706 Q707 L713 R714 I717I705-F709 HydrophobicContact CG2-CE2 3.92Å; I705-F709 WeakPolarHBondContact O-CD2 3.37Å; L706-F709 PolarHBondContact O-N 3.22Å; Q707-F709 PolarHBondContact O-N 3.18Å; F709-L713 HydrophobicContact CB-CB 4.43Å; F709-L713 HydrophobicContact CB-CD2 4.29Å; F709-L713 HydrophobicContact CB-CG 4.4Å; F709-L713 HydrophobicContact CD1-CD2 3.64Å; F709-L713 HydrophobicContact CD1-CG 4.46Å; F709-L713 HydrophobicContact CE1-CD2 4.28Å; F709-L713 HydrophobicContact CG-CD2 4.16Å; F709-R714 HydrophobicContact CB-CG 4.01Å; F709-R714 WeakPolarHBondContact O-CD 3.27Å; F709-R714 WeakPolarHBondContact O-CG 3.39Å; F709-R714 PolarHBondContact O-NE 2.96Å; F709-I717 HydrophobicContact CD2-CD1 3.75Å; F709-I717 HydrophobicContact CE2-CD1 3.99Å; F709-I717 HydrophobicContact CG-CD1 4.2Å
710P89.9Confident86.8Confident87 Ų8774.4 Ų74.457%0.56539%0.388SS*.  trans-64.6149.4172.928.7-35.4000111N712 L713 R714P710-N712 VanDerWaalsContact C-N 3.33Å; P710-N712 PolarHBondContact O-N 3.28Å; P710-N712 VanDerWaalsContact O-N 3.17Å; P710-L713 HydrophobicContact CG-CB 4.1Å; P710-L713 WeakPolarHBondContact O-CA 3.12Å; P710-L713 WeakPolarHBondContact O-CB 3.19Å; P710-L713 PolarHBondContact O-N 3.24Å; P710-R714 PolarHBondContact O-N 3.06Å
711E85.8Confident86.9Confident126 Ų12675 Ų7559%0.58939%0.392SS*.Hα-helixtrans-50.8-43-172-168.9-178.9140.400115L713 R714 G715E711-L713 VanDerWaalsContact C-N 3.26Å; E711-L713 PolarHBondContact O-N 2.91Å; E711-R714 WeakPolarHBondContact O-CB 3.38Å; E711-R714 PolarHBondContact O-N 2.73Å; E711-R714 VanDerWaalsContact O-N 3.15Å; E711-G715 PolarHBondContact O-N 2.74Å
712N83.7Confident87.3Confident129 Ų12970.5 Ų70.569%0.6937%0.367SS*.Hα-helixtrans-54.1-43.7174.9-73.9-41.9000112.3P710 D716P710-N712 VanDerWaalsContact C-N 3.33Å; P710-N712 PolarHBondContact O-N 3.28Å; P710-N712 VanDerWaalsContact O-N 3.17Å; N712-D716 PolarHBondContact O-N 3.02Å; N712-D716 VanDerWaalsContact O-OD2 3.08Å
713L88.7Confident87.5Confident73 Ų7373.5 Ų73.538%0.38238%0.377SS..Hα-helixtrans-78.6-31.9179.8-174.159.4000111.9F709 P710 E711 G715 D716 I717F709-L713 HydrophobicContact CB-CB 4.43Å; F709-L713 HydrophobicContact CB-CD2 4.29Å; F709-L713 HydrophobicContact CB-CG 4.4Å; F709-L713 HydrophobicContact CD1-CD2 3.64Å; F709-L713 HydrophobicContact CD1-CG 4.46Å; F709-L713 HydrophobicContact CE1-CD2 4.28Å; F709-L713 HydrophobicContact CG-CD2 4.16Å; P710-L713 HydrophobicContact CG-CB 4.1Å; P710-L713 WeakPolarHBondContact O-CA 3.12Å; P710-L713 WeakPolarHBondContact O-CB 3.19Å; P710-L713 PolarHBondContact O-N 3.24Å; E711-L713 VanDerWaalsContact C-N 3.26Å; E711-L713 PolarHBondContact O-N 2.91Å; L713-G715 VanDerWaalsContact C-N 3.33Å; L713-D716 PolarHBondContact O-N 3.13Å; L713-I717 HydrophobicContact CD1-CD1 4.38Å; L713-I717 HydrophobicContact CD1-CG1 4.37Å; L713-I717 HydrophobicContact CG-CD1 3.99Å; L713-I717 HydrophobicContact CG-CG1 4.45Å; L713-I717 WeakPolarHBondContact O-CB 3.46Å; L713-I717 WeakPolarHBondContact O-CD1 3.16Å; L713-I717 VanDerWaalsContact O-CG1 3.23Å; L713-I717 WeakPolarHBondContact O-CG1 3.14Å; L713-I717 PolarHBondContact O-N 3.26Å
714R89.8Confident87.4Confident70 Ų7073.9 Ų73.926%0.26438%0.378SS..Hα-helixtrans-58.4-46.5168.2-66-170.6-70.2146.71110.6L706 F709 P710 E711 I717 A718L706-R714 WeakPolarHBondContact O-CD 3.4Å; L706-R714 VanDerWaalsContact O-CG 3.25Å; L706-R714 WeakPolarHBondContact O-CG 3.2Å; F709-R714 HydrophobicContact CB-CG 4.01Å; F709-R714 WeakPolarHBondContact O-CD 3.27Å; F709-R714 WeakPolarHBondContact O-CG 3.39Å; F709-R714 PolarHBondContact O-NE 2.96Å; P710-R714 PolarHBondContact O-N 3.06Å; E711-R714 WeakPolarHBondContact O-CB 3.38Å; E711-R714 PolarHBondContact O-N 2.73Å; E711-R714 VanDerWaalsContact O-N 3.15Å; R714-I717 PolarHBondContact O-N 3.15Å; R714-A718 VanDerWaalsContact O-CB 3.23Å; R714-A718 WeakPolarHBondContact O-CB 3.39Å; R714-A718 PolarHBondContact O-N 3.32Å
715G88.1Confident87.4Confident1 Ų171.5 Ų71.51%0.0136%0.358CS..Hα-helixtrans-62.7-40.5175.500000113.7E711 L713 L719E711-G715 PolarHBondContact O-N 2.74Å; L713-G715 VanDerWaalsContact C-N 3.33Å; G715-L719 WeakPolarHBondContact O-CB 3.26Å; G715-L719 PolarHBondContact O-N 3.31Å
716D89.9Confident87.3Confident74 Ų7468.6 Ų68.640%0.39634%0.343SS..Hα-helixtrans-68.6-38.8175.2-76.7-46.8000113N712 L713 H720 K740N712-D716 PolarHBondContact O-N 3.02Å; N712-D716 VanDerWaalsContact O-OD2 3.08Å; L713-D716 PolarHBondContact O-N 3.13Å; D716-H720 PolarHBondContact O-N 3.4Å; D716-H720 VanDerWaalsContact O-N 3.11Å; D716-K740 WeakPolarHBondContact OD1-CE 3.46Å; D716-K740 IonicContact OD1-NZ 2.64Å; D716-K740 PolarHBondContact OD1-NZ 3.33Å; D716-K740 IonicContact OD2-NZ 2.75Å; D716-K740 PolarHBondContact OD2-NZ 3.07Å
717I90.7Very high87.2Confident50 Ų5071 Ų7126%0.25636%0.362SS..Hα-helixtrans-66.1-46.4174-68.7165000110.3L706 F709 L713 R714 L719 H720 L721L706-I717 HydrophobicContact CD2-CB 4.29Å; L706-I717 HydrophobicContact CD2-CG2 3.75Å; F709-I717 HydrophobicContact CD2-CD1 3.75Å; F709-I717 HydrophobicContact CE2-CD1 3.99Å; F709-I717 HydrophobicContact CG-CD1 4.2Å; L713-I717 HydrophobicContact CD1-CD1 4.38Å; L713-I717 HydrophobicContact CD1-CG1 4.37Å; L713-I717 HydrophobicContact CG-CD1 3.99Å; L713-I717 HydrophobicContact CG-CG1 4.45Å; L713-I717 WeakPolarHBondContact O-CB 3.46Å; L713-I717 WeakPolarHBondContact O-CD1 3.16Å; L713-I717 VanDerWaalsContact O-CG1 3.23Å; L713-I717 WeakPolarHBondContact O-CG1 3.14Å; L713-I717 PolarHBondContact O-N 3.26Å; R714-I717 PolarHBondContact O-N 3.15Å; I717-L719 PolarHBondContact O-N 3.36Å; I717-H720 WeakPolarHBondContact O-CB 3.25Å; I717-H720 PolarHBondContact O-N 3.19Å; I717-H720 VanDerWaalsContact O-N 3.12Å; I717-L721 HydrophobicContact CG2-CD1 3.93Å; I717-L721 HydrophobicContact CG2-CG 4.31Å; I717-L721 WeakPolarHBondContact O-CG 3.17Å; I717-L721 PolarHBondContact O-N 3.05Å
718A89.9Confident87Confident6 Ų666.8 Ų66.85%0.0534%0.343CS..Hα-helixtrans-61.6-42.9178.500000111.7R714 H720 L721 N722 A743 Q744R714-A718 VanDerWaalsContact O-CB 3.23Å; R714-A718 WeakPolarHBondContact O-CB 3.39Å; R714-A718 PolarHBondContact O-N 3.32Å; A718-H720 VanDerWaalsContact C-N 3.26Å; A718-H720 PolarHBondContact O-N 3.27Å; A718-L721 PolarHBondContact O-N 3.38Å; A718-N722 WeakPolarHBondContact O-CB 3.26Å; A718-N722 PolarHBondContact O-N 3.39Å; A718-A743 HydrophobicContact CB-CB 3.79Å; A718-Q744 HydrophobicContact CB-CG 4.06Å
719L90Very high86.7Confident54 Ų5464.8 Ų64.828%0.28333%0.33SS..Hα-helixtrans-61.1-33.1174178.261.9000112.5G715 I717 R723 L726 K740 A743G715-L719 WeakPolarHBondContact O-CB 3.26Å; G715-L719 PolarHBondContact O-N 3.31Å; I717-L719 PolarHBondContact O-N 3.36Å; L719-R723 WeakPolarHBondContact O-CA 3.47Å; L719-R723 WeakPolarHBondContact O-CB 3.31Å; L719-R723 PolarHBondContact O-N 3Å; L719-L726 HydrophobicContact CD1-CD1 3.71Å; L719-K740 HydrophobicContact CD2-CG 4.4Å; L719-A743 HydrophobicContact CB-CB 4.46Å
720H89.8Confident86.4Confident126 Ų12662 Ų6258%0.58332%0.318SS*.Hα-helixtrans-75.2-43.6175.4-175.880.9000112.9D716 I717 A718 R723D716-H720 PolarHBondContact O-N 3.4Å; D716-H720 VanDerWaalsContact O-N 3.11Å; I717-H720 WeakPolarHBondContact O-CB 3.25Å; I717-H720 PolarHBondContact O-N 3.19Å; I717-H720 VanDerWaalsContact O-N 3.12Å; A718-H720 VanDerWaalsContact C-N 3.26Å; A718-H720 PolarHBondContact O-N 3.27Å; H720-R723 WeakPolarHBondContact O-CB 3.37Å; H720-R723 WeakPolarHBondContact O-CD 3.49Å; H720-R723 WeakPolarHBondContact O-CG 3.34Å
721L87.8Confident86.2Confident85 Ų8557.9 Ų57.945%0.44529%0.291SS..Hα-helixtrans-63.8-46.3177.3-68.9172.9000111.2I717 A718 R723I717-L721 HydrophobicContact CG2-CD1 3.93Å; I717-L721 HydrophobicContact CG2-CG 4.31Å; I717-L721 WeakPolarHBondContact O-CG 3.17Å; I717-L721 PolarHBondContact O-N 3.05Å; A718-L721 PolarHBondContact O-N 3.38Å; L721-R723 VanDerWaalsContact C-N 3.29Å; L721-R723 PolarHBondContact O-N 2.69Å
722N89.1Confident86Confident5 Ų558 Ų583%0.02729%0.289CS..THydrogen-bonded Turntrans-95.122.4-174.9-57.4-27.6000111.7A718 E724 I725 L726 A743 I746A718-N722 WeakPolarHBondContact O-CB 3.26Å; A718-N722 PolarHBondContact O-N 3.39Å; N722-E724 PolarHBondContact O-N 2.99Å; N722-E724 VanDerWaalsContact O-N 3.17Å; N722-I725 HydrophobicContact CB-CG2 3.93Å; N722-I725 WeakPolarHBondContact O-CG2 3.41Å; N722-L726 HydrophobicContact CB-CD1 4.03Å; N722-L726 VanDerWaalsContact O-CB 3.29Å; N722-L726 WeakPolarHBondContact O-CB 3.47Å; N722-L726 WeakPolarHBondContact O-CD1 3.43Å; N722-L726 VanDerWaalsContact O-CG 3.22Å; N722-L726 WeakPolarHBondContact O-CG 3.43Å; N722-L726 PolarHBondContact O-N 3.1Å; N722-A743 PolarHBondContact ND2-O 3.4Å; N722-I746 HydrophobicContact CB-CB 4.43Å; N722-I746 HydrophobicContact CB-CD1 4.24Å; N722-I746 HydrophobicContact CB-CG2 4.12Å; N722-I746 WeakPolarHBondContact ND2-CB 3.49Å; N722-I746 PolarHBondContact ND2-O 3.46Å
723R86.9Confident86Confident141 Ų14154.4 Ų54.453%0.53228%0.275SS..THydrogen-bonded Turntrans-59.2-27.7-176.171.9-174.9-172.21693.5114.1L719 H720 L721 S727L719-R723 WeakPolarHBondContact O-CA 3.47Å; L719-R723 WeakPolarHBondContact O-CB 3.31Å; L719-R723 PolarHBondContact O-N 3Å; H720-R723 WeakPolarHBondContact O-CB 3.37Å; H720-R723 WeakPolarHBondContact O-CD 3.49Å; H720-R723 WeakPolarHBondContact O-CG 3.34Å; L721-R723 VanDerWaalsContact C-N 3.29Å; L721-R723 PolarHBondContact O-N 2.69Å; R723-S727 PolarHBondContact O-N 2.81Å
724E80.8Confident86Confident98 Ų9851.1 Ų51.146%0.45826%0.258SS..THydrogen-bonded Turntrans-82.4-50.3-170.7-55.9-168.7-17800109.9N722 L726 S727N722-E724 PolarHBondContact O-N 2.99Å; N722-E724 VanDerWaalsContact O-N 3.17Å; E724-L726 VanDerWaalsContact C-N 3.32Å; E724-L726 PolarHBondContact O-N 3.4Å; E724-S727 WeakPolarHBondContact O-CB 3.48Å; E724-S727 PolarHBondContact O-N 3.18Å; E724-S727 VanDerWaalsContact O-N 3.11Å; E724-S727 PolarHBondContact O-OG 2.91Å
725I84.1Confident86Confident7 Ų750.1 Ų50.14%0.03626%0.262CS..G310 helixtrans-59.2-40.6167.8-172.5172.9000111.7N722 S727 L728 F731 I746 F769 Q820N722-I725 HydrophobicContact CB-CG2 3.93Å; N722-I725 WeakPolarHBondContact O-CG2 3.41Å; I725-S727 PolarHBondContact O-N 3.25Å; I725-S727 VanDerWaalsContact O-N 3.08Å; I725-L728 HydrophobicContact CG1-CD1 3.93Å; I725-L728 WeakPolarHBondContact O-CB 3.32Å; I725-L728 WeakPolarHBondContact O-CD1 3.03Å; I725-L728 VanDerWaalsContact O-CG 3.24Å; I725-L728 WeakPolarHBondContact O-CG 3.27Å; I725-L728 PolarHBondContact O-N 2.92Å; I725-L728 VanDerWaalsContact O-N 3.15Å; I725-F731 HydrophobicContact CG1-CE2 3.94Å; I725-F731 WeakPolarHBondContact O-CD2 3.2Å; I725-I746 HydrophobicContact CD1-CD1 4.35Å; I725-I746 HydrophobicContact CG2-CD1 3.87Å; I725-I746 HydrophobicContact CG2-CG2 4.35Å; I725-F769 HydrophobicContact CB-CD1 3.89Å; I725-F769 HydrophobicContact CB-CE1 4.05Å; I725-F769 HydrophobicContact CD1-CB 3.87Å; I725-F769 HydrophobicContact CD1-CD1 4.03Å; I725-F769 HydrophobicContact CD1-CG 4.14Å; I725-F769 HydrophobicContact CG1-CB 4.48Å; I725-F769 HydrophobicContact CG1-CD1 3.97Å; I725-F769 HydrophobicContact CG1-CE1 4.47Å; I725-F769 HydrophobicContact CG1-CG 4.25Å; I725-Q820 HydrophobicContact CD1-CB 4.2Å
726L84.4Confident86Confident7 Ų755.1 Ų55.14%0.03729%0.294CS..G310 helixtrans-73.64.5177.5-65.7167.3000114.4L719 N722 E724 F731 A743 I746L719-L726 HydrophobicContact CD1-CD1 3.71Å; N722-L726 HydrophobicContact CB-CD1 4.03Å; N722-L726 VanDerWaalsContact O-CB 3.29Å; N722-L726 WeakPolarHBondContact O-CB 3.47Å; N722-L726 WeakPolarHBondContact O-CD1 3.43Å; N722-L726 VanDerWaalsContact O-CG 3.22Å; N722-L726 WeakPolarHBondContact O-CG 3.43Å; N722-L726 PolarHBondContact O-N 3.1Å; E724-L726 VanDerWaalsContact C-N 3.32Å; E724-L726 PolarHBondContact O-N 3.4Å; L726-F731 HydrophobicContact CD2-CB 4.22Å; L726-F731 HydrophobicContact CD2-CD1 3.95Å; L726-F731 HydrophobicContact CD2-CD2 4.24Å; L726-F731 HydrophobicContact CD2-CE1 4.42Å; L726-F731 HydrophobicContact CD2-CG 3.85Å; L726-A743 HydrophobicContact CD1-CB 3.68Å; L726-I746 HydrophobicContact CD2-CD1 4.01Å; L726-I746 HydrophobicContact CG-CD1 4.16Å
727S81.6Confident85.9Confident77 Ų7753.1 Ų53.154%0.53829%0.291SS..G310 helixtrans-99.1-12.9170.5780000114R723 E724 I725 K732R723-S727 PolarHBondContact O-N 2.81Å; E724-S727 WeakPolarHBondContact O-CB 3.48Å; E724-S727 PolarHBondContact O-N 3.18Å; E724-S727 VanDerWaalsContact O-N 3.11Å; E724-S727 PolarHBondContact O-OG 2.91Å; I725-S727 PolarHBondContact O-N 3.25Å; I725-S727 VanDerWaalsContact O-N 3.08Å; S727-K732 VanDerWaalsContact O-CE 3.28Å; S727-K732 WeakPolarHBondContact O-CE 3.28Å
728L81.6Confident85.9Confident36 Ų3650.8 Ų50.819%0.18828%0.279CS..SBendtrans-60.6159.9173.5-60.4172.2000111.8I725 L730 F731 F769 I793I725-L728 HydrophobicContact CG1-CD1 3.93Å; I725-L728 WeakPolarHBondContact O-CB 3.32Å; I725-L728 WeakPolarHBondContact O-CD1 3.03Å; I725-L728 VanDerWaalsContact O-CG 3.24Å; I725-L728 WeakPolarHBondContact O-CG 3.27Å; I725-L728 PolarHBondContact O-N 2.92Å; I725-L728 VanDerWaalsContact O-N 3.15Å; L728-L730 VanDerWaalsContact C-N 3.3Å; L728-L730 PolarHBondContact O-N 3.16Å; L728-F731 HydrophobicContact CB-CD2 4.4Å; L728-F731 PolarHBondContact O-N 3.31Å; L728-F769 HydrophobicContact CD1-CD2 3.97Å; L728-F769 HydrophobicContact CD1-CE2 3.71Å; L728-F769 HydrophobicContact CD1-CG 4.5Å; L728-F769 HydrophobicContact CD1-CZ 4.07Å; L728-F769 HydrophobicContact CD2-CE2 4.19Å; L728-F769 HydrophobicContact CD2-CZ 4.35Å; L728-F769 HydrophobicContact CG-CE2 4.49Å; L728-I793 HydrophobicContact CD1-CD1 4.37Å
729S80.1Confident86Confident44 Ų4453.9 Ų53.931%0.30829%0.289SS..G310 helixtrans-65.1-36-175.1-33.20000112.4F731 K732 E849S729-F731 PolarHBondContact O-N 3.15Å; S729-K732 PolarHBondContact O-N 3.03Å; S729-K732 PolarHBondContact OG-NZ 2.88Å; S729-E849 WeakPolarHBondContact CB-OE1 3.27Å; S729-E849 PolarHBondContact OG-OE1 3.31Å
730L80.8Confident86Confident6 Ų653.9 Ų53.93%0.03129%0.287CS..G310 helixtrans-36.8-40.7169.6-57.1-173.7000114.2L728 I793 F838 F842 S845 I846 E849L728-L730 VanDerWaalsContact C-N 3.3Å; L728-L730 PolarHBondContact O-N 3.16Å; L730-I793 HydrophobicContact CD1-CD1 4.17Å; L730-F838 WeakPolarHBondContact O-CE2 3.5Å; L730-F842 HydrophobicContact CB-CD2 4.47Å; L730-F842 HydrophobicContact CB-CE2 4.31Å; L730-F842 HydrophobicContact CD1-CE2 4.36Å; L730-S845 VanDerWaalsContact CD2-C 3.48Å; L730-S845 VanDerWaalsContact CD2-O 3.26Å; L730-S845 WeakPolarHBondContact CD2-O 3.47Å; L730-I846 HydrophobicContact CD1-CD1 3.82Å; L730-I846 HydrophobicContact CD2-CB 4.48Å; L730-I846 HydrophobicContact CD2-CD1 4.15Å; L730-E849 HydrophobicContact CD2-CB 4.11Å; L730-E849 HydrophobicContact CD2-CG 4.33Å; L730-E849 WeakPolarHBondContact CD2-OE2 3.37Å; L730-E849 VanDerWaalsContact CG-OE2 3.3Å; L730-E849 WeakPolarHBondContact CG-OE2 3.44Å; L730-E849 PolarHBondContact N-OE2 3.46Å
731F85.6Confident85.9Confident1 Ų149.7 Ų49.70%0.00427%0.272CS..G310 helixtrans-106.6-0.3-173.1-53.9-73.5000114I725 L726 L728 S729 S733 A734 R739 L742 I822 F838 F842I725-F731 HydrophobicContact CG1-CE2 3.94Å; I725-F731 WeakPolarHBondContact O-CD2 3.2Å; L726-F731 HydrophobicContact CD2-CB 4.22Å; L726-F731 HydrophobicContact CD2-CD1 3.95Å; L726-F731 HydrophobicContact CD2-CD2 4.24Å; L726-F731 HydrophobicContact CD2-CE1 4.42Å; L726-F731 HydrophobicContact CD2-CG 3.85Å; L728-F731 HydrophobicContact CB-CD2 4.4Å; L728-F731 PolarHBondContact O-N 3.31Å; S729-F731 PolarHBondContact O-N 3.15Å; F731-S733 VanDerWaalsContact C-N 3.29Å; F731-S733 PolarHBondContact O-N 2.81Å; F731-A734 WeakPolarHBondContact O-CB 3.38Å; F731-A734 PolarHBondContact O-N 3.04Å; F731-R739 PolarHBondContact O-NE 2.97Å; F731-R739 VanDerWaalsContact O-NE 3.08Å; F731-R739 PolarHBondContact O-NH2 3.24Å; F731-L742 HydrophobicContact CD1-CD1 4.01Å; F731-L742 HydrophobicContact CE1-CD1 4.16Å; F731-I822 HydrophobicContact CE1-CD1 4.34Å; F731-I822 HydrophobicContact CZ-CD1 3.79Å; F731-F838 HydrophobicContact CD1-CZ 4.17Å; F731-F842 HydrophobicContact CE1-CD2 4.48Å; F731-F842 AromaticContact CE1-CE2 3.94Å; F731-F842 HydrophobicContact CE1-CE2 3.94Å; F731-F842 HydrophobicContact CZ-CE2 4.08Å
732K82.7Confident86.1Confident127 Ų12745.9 Ų45.955%0.55225%0.251SS*.THydrogen-bonded Turntrans-65.2-33.3179.2-71.3172.5-163.1147.30112S727 S729 R739S727-K732 VanDerWaalsContact O-CE 3.28Å; S727-K732 WeakPolarHBondContact O-CE 3.28Å; S729-K732 PolarHBondContact O-N 3.03Å; S729-K732 PolarHBondContact OG-NZ 2.88Å; K732-R739 PolarHBondContact O-NH2 3.26Å
733S84.2Confident86.2Confident55 Ų5545.7 Ų45.739%0.38525%0.251SS..SBendtrans-74.2-25.7174.752.50000114.2F731 S735 F838 Q841F731-S733 VanDerWaalsContact C-N 3.29Å; F731-S733 PolarHBondContact O-N 2.81Å; S733-S735 PolarHBondContact O-N 3.49Å; S733-F838 WeakPolarHBondContact OG-CE2 3.49Å; S733-Q841 VanDerWaalsContact CB-OE1 3.3Å
734A87.7Confident86.2Confident4 Ų442.3 Ų42.33%0.03324%0.241CC..SBendtrans-64.3133.2-176.600000112F731 C738 R739 L742 F838F731-A734 WeakPolarHBondContact O-CB 3.38Å; F731-A734 PolarHBondContact O-N 3.04Å; A734-C738 HydrophobicContact CB-CB 4.34Å; A734-R739 HydrophobicContact CB-CG 3.54Å; A734-R739 PolarHBondContact O-NE 3.24Å; A734-R739 PolarHBondContact O-NH2 2.99Å; A734-L742 HydrophobicContact CB-CD1 4.45Å; A734-F838 HydrophobicContact CB-CD2 3.86Å; A734-F838 HydrophobicContact CB-CE2 3.62Å; A734-F838 HydrophobicContact CB-CG 4.5Å; A734-F838 HydrophobicContact CB-CZ 4.05Å
735S90.4Very high86.6Confident49 Ų4938.9 Ų38.934%0.34323%0.225SC..  trans-63.7157.4174.576.90000111.6S733 G737 C738 R739S733-S735 PolarHBondContact O-N 3.49Å; S735-G737 PolarHBondContact O-N 3Å; S735-G737 VanDerWaalsContact O-N 3.15Å; S735-C738 PolarHBondContact O-N 2.64Å; S735-C738 VanDerWaalsContact O-N 3.09Å; S735-C738 WeakPolarHBondContact OG-CB 3.36Å; S735-C738 PolarHBondContact OG-N 3.36Å; S735-R739 WeakPolarHBondContact O-CG 3.45Å; S735-R739 PolarHBondContact O-N 2.61Å
736P88.2Confident86.9Confident106 Ų10638.8 Ų38.869%0.68823%0.225SC*.Hα-helixtrans-57.9-30.4179.4-26.835.7000114.2K740P736-K740 WeakPolarHBondContact O-CG 3.43Å; P736-K740 PolarHBondContact O-N 3.45Å
737G87.5Confident87.1Confident32 Ų3241.5 Ų41.533%0.3324%0.242SC..Hα-helixtrans-69.8-52.9171.800000111.8S735 R739 K740 C741S735-G737 PolarHBondContact O-N 3Å; S735-G737 VanDerWaalsContact O-N 3.15Å; G737-R739 VanDerWaalsContact C-N 3.31Å; G737-R739 PolarHBondContact O-N 3.2Å; G737-K740 WeakPolarHBondContact O-CB 3.38Å; G737-K740 PolarHBondContact O-N 3.21Å; G737-C741 PolarHBondContact O-N 2.89Å; G737-C741 VanDerWaalsContact O-N 3.09Å; G737-C741 PolarHBondContact O-SG 3Å; G737-C741 VanDerWaalsContact O-SG 3.38Å
738C91.1Very high87.4Confident1 Ų140.7 Ų40.71%0.00723%0.234CC..Hα-helixtrans-55-44177.9-174.50000112A734 S735 K740 C741 L742 Y835A734-C738 HydrophobicContact CB-CB 4.34Å; S735-C738 PolarHBondContact O-N 2.64Å; S735-C738 VanDerWaalsContact O-N 3.09Å; S735-C738 WeakPolarHBondContact OG-CB 3.36Å; S735-C738 PolarHBondContact OG-N 3.36Å; C738-K740 VanDerWaalsContact C-N 3.34Å; C738-K740 PolarHBondContact O-N 3.46Å; C738-C741 PolarHBondContact O-N 3.11Å; C738-L742 WeakPolarHBondContact O-CG 3.49Å; C738-L742 PolarHBondContact O-N 3.49Å; C738-Y835 HydrophobicContact CB-CD1 3.93Å; C738-Y835 HydrophobicContact CB-CD2 4.05Å; C738-Y835 HydrophobicContact CB-CE1 3.88Å; C738-Y835 HydrophobicContact CB-CE2 4.01Å; C738-Y835 HydrophobicContact CB-CG 4.01Å
739R91.1Very high87.7Confident70 Ų7043.3 Ų43.326%0.26424%0.241SC..Hα-helixtrans-59.8-38174.5-67.5-171.1-155.4-1577.8113.2F731 K732 A734 S735 G737 A743F731-R739 PolarHBondContact O-NE 2.97Å; F731-R739 VanDerWaalsContact O-NE 3.08Å; F731-R739 PolarHBondContact O-NH2 3.24Å; K732-R739 PolarHBondContact O-NH2 3.26Å; A734-R739 HydrophobicContact CB-CG 3.54Å; A734-R739 PolarHBondContact O-NE 3.24Å; A734-R739 PolarHBondContact O-NH2 2.99Å; S735-R739 WeakPolarHBondContact O-CG 3.45Å; S735-R739 PolarHBondContact O-N 2.61Å; G737-R739 VanDerWaalsContact C-N 3.31Å; G737-R739 PolarHBondContact O-N 3.2Å; R739-A743 WeakPolarHBondContact O-CB 3.33Å; R739-A743 PolarHBondContact O-N 2.78Å
740K89.7Confident88Confident54 Ų5442.9 Ų42.924%0.23523%0.234CC..Hα-helixtrans-69.9-32.4176.3-75-174176.7-160.30113D716 L719 P736 G737 C738 Q744D716-K740 WeakPolarHBondContact OD1-CE 3.46Å; D716-K740 IonicContact OD1-NZ 2.64Å; D716-K740 PolarHBondContact OD1-NZ 3.33Å; D716-K740 IonicContact OD2-NZ 2.75Å; D716-K740 PolarHBondContact OD2-NZ 3.07Å; L719-K740 HydrophobicContact CD2-CG 4.4Å; P736-K740 WeakPolarHBondContact O-CG 3.43Å; P736-K740 PolarHBondContact O-N 3.45Å; G737-K740 WeakPolarHBondContact O-CB 3.38Å; G737-K740 PolarHBondContact O-N 3.21Å; C738-K740 VanDerWaalsContact C-N 3.34Å; C738-K740 PolarHBondContact O-N 3.46Å; K740-Q744 WeakPolarHBondContact O-CG 3.3Å; K740-Q744 PolarHBondContact O-NE2 3.2Å; K740-Q744 VanDerWaalsContact O-NE2 3.09Å
741C88.9Confident88.4Confident39 Ų3942.6 Ų42.626%0.26423%0.233SC..Hα-helixtrans-70.2-51.7173.8-58.10000110.3G737 C738 A743 Q744 L745 I831G737-C741 PolarHBondContact O-N 2.89Å; G737-C741 VanDerWaalsContact O-N 3.09Å; G737-C741 PolarHBondContact O-SG 3Å; G737-C741 VanDerWaalsContact O-SG 3.38Å; C738-C741 PolarHBondContact O-N 3.11Å; C741-A743 VanDerWaalsContact C-N 3.3Å; C741-A743 PolarHBondContact O-N 3.39Å; C741-Q744 PolarHBondContact O-N 2.98Å; C741-Q744 VanDerWaalsContact O-N 3.07Å; C741-L745 PolarHBondContact O-N 3.24Å; C741-I831 HydrophobicContact CB-CD1 3.63Å; C741-I831 HydrophobicContact CB-CG1 4.18Å
742L91.1Very high88.6Confident4 Ų443.1 Ų43.12%0.02124%0.236CC..Hα-helixtrans-58.8-39.9176.2-67.1166.7000112.2F731 A734 C738 Q744 L745 I746 L828 I831 F838F731-L742 HydrophobicContact CD1-CD1 4.01Å; F731-L742 HydrophobicContact CE1-CD1 4.16Å; A734-L742 HydrophobicContact CB-CD1 4.45Å; C738-L742 WeakPolarHBondContact O-CG 3.49Å; C738-L742 PolarHBondContact O-N 3.49Å; L742-Q744 PolarHBondContact O-N 3.23Å; L742-L745 PolarHBondContact O-N 2.91Å; L742-I746 WeakPolarHBondContact O-CG1 3.16Å; L742-I746 PolarHBondContact O-N 3.42Å; L742-L828 HydrophobicContact CD2-CD1 3.74Å; L742-I831 HydrophobicContact CD2-CD1 4.22Å; L742-I831 HydrophobicContact CD2-CG2 4.06Å; L742-I831 HydrophobicContact CG-CG2 4.32Å; L742-F838 HydrophobicContact CD1-CD1 4.34Å; L742-F838 HydrophobicContact CD1-CE1 3.53Å; L742-F838 HydrophobicContact CD1-CZ 3.87Å
743A91.2Very high88.9Confident1 Ų140.2 Ų40.21%0.00823%0.23CC..Hα-helixtrans-56.9-33.2176.200000113.2A718 L719 N722 L726 R739 C741A718-A743 HydrophobicContact CB-CB 3.79Å; L719-A743 HydrophobicContact CB-CB 4.46Å; N722-A743 PolarHBondContact ND2-O 3.4Å; L726-A743 HydrophobicContact CD1-CB 3.68Å; R739-A743 WeakPolarHBondContact O-CB 3.33Å; R739-A743 PolarHBondContact O-N 2.78Å; C741-A743 VanDerWaalsContact C-N 3.3Å; C741-A743 PolarHBondContact O-N 3.39Å
744Q87.9Confident89.1Confident70 Ų7039.5 Ų39.533%0.32723%0.231SC..Hα-helixtrans-77.7-23.7178.1-71.4173.874.800112.8A718 K740 C741 L742A718-Q744 HydrophobicContact CB-CG 4.06Å; K740-Q744 WeakPolarHBondContact O-CG 3.3Å; K740-Q744 PolarHBondContact O-NE2 3.2Å; K740-Q744 VanDerWaalsContact O-NE2 3.09Å; C741-Q744 PolarHBondContact O-N 2.98Å; C741-Q744 VanDerWaalsContact O-N 3.07Å; L742-Q744 PolarHBondContact O-N 3.23Å
745L88.8Confident89.1Confident26 Ų2640.3 Ų40.314%0.13623%0.234CC..Hα-helixtrans-81.8-21.8174-57.7-167.6000113.5C741 L742 T747 Q827 L828 I831C741-L745 PolarHBondContact O-N 3.24Å; L742-L745 PolarHBondContact O-N 2.91Å; L745-T747 PolarHBondContact O-N 2.94Å; L745-T747 VanDerWaalsContact O-N 3.1Å; L745-Q827 HydrophobicContact CD1-CB 4.19Å; L745-Q827 HydrophobicContact CD2-CB 3.88Å; L745-Q827 VanDerWaalsContact CD2-OE1 3.3Å; L745-L828 HydrophobicContact CD1-CB 4.1Å; L745-L828 HydrophobicContact CD1-CD1 4.22Å; L745-I831 HydrophobicContact CD1-CD1 3.53Å; L745-I831 HydrophobicContact CG-CD1 4.01Å
746I90.2Very high89.2Confident6 Ų643 Ų433%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-70.5108.1-179.8-69162.1000109.9N722 I725 L726 L742 Q820 I822N722-I746 HydrophobicContact CB-CB 4.43Å; N722-I746 HydrophobicContact CB-CD1 4.24Å; N722-I746 HydrophobicContact CB-CG2 4.12Å; N722-I746 WeakPolarHBondContact ND2-CB 3.49Å; N722-I746 PolarHBondContact ND2-O 3.46Å; I725-I746 HydrophobicContact CD1-CD1 4.35Å; I725-I746 HydrophobicContact CG2-CD1 3.87Å; I725-I746 HydrophobicContact CG2-CG2 4.35Å; L726-I746 HydrophobicContact CD2-CD1 4.01Å; L726-I746 HydrophobicContact CG-CD1 4.16Å; L742-I746 WeakPolarHBondContact O-CG1 3.16Å; L742-I746 PolarHBondContact O-N 3.42Å; I746-Q820 HydrophobicContact CG2-CB 4.04Å; I746-Q820 HydrophobicContact CG2-CG 4.29Å; I746-I822 HydrophobicContact CD1-CD1 4.46Å; I746-I822 HydrophobicContact CG1-CD1 4.04Å; I746-I822 HydrophobicContact CG1-CG1 3.64Å
747T88.9Confident89.3Confident64 Ų6439.5 Ų39.539%0.39321%0.213SC..EExtended strand (participates in β ladder)trans-97.5154.4177.351.80000110.9L745 Q820 C821L745-T747 PolarHBondContact O-N 2.94Å; L745-T747 VanDerWaalsContact O-N 3.1Å; T747-Q820 CarbonylContact O-C 3.6Å; T747-Q820 WeakPolarHBondContact O-CA 3.32Å; T747-C821 PolarHBondContact N-O 3.02Å; T747-C821 PolarHBondContact O-N 3.32Å; T747-C821 PolarHBondContact OG1-O 3.17Å; T747-C821 VanDerWaalsContact OG1-O 3.08Å; T747-C821 PolarHBondContact OG1-SG 3.04Å
748T87.5Confident89.5Confident59 Ų5938.3 Ų38.336%0.36220%0.199SC..EExtended strand (participates in β ladder)trans-111.2119.9-17740.50000109.4K702 L819 Q820K702-T748 PolarHBondContact NZ-OG1 3.13Å; T748-L819 WeakPolarHBondContact CA-O 3.27Å; T748-Q820 HydrophobicContact CG2-CG 3.92Å
749R87.8Confident89.5Confident91 Ų9141.5 Ų41.534%0.34322%0.216SC..EExtended strand (participates in β ladder)trans-112.6154.9175-74-177.9-177.5-155.40.5110.8Y768 L819 C821R749-Y768 PolarHBondContact NH1-OH 3.28Å; R749-L819 HydrophobicContact CB-CB 4.38Å; R749-L819 PolarHBondContact N-O 3.34Å; R749-L819 PolarHBondContact O-N 3.11Å; R749-L819 VanDerWaalsContact O-O 3.12Å; R749-C821 VanDerWaalsContact CD-SG 3.58Å
750F87.7Confident89.4Confident36 Ų3640.7 Ų40.716%0.15822%0.216CC..EExtended strand (participates in β ladder)trans-132.3138.1179.9178.8-103.7000109A692 M693 I696 T752 Y816 C817A692-F750 HydrophobicContact CB-CE1 3.7Å; A692-F750 HydrophobicContact CB-CZ 4.15Å; M693-F750 HydrophobicContact CE-CB 4.48Å; I696-F750 HydrophobicContact CD1-CD1 4.26Å; I696-F750 HydrophobicContact CD1-CD2 3.65Å; I696-F750 HydrophobicContact CD1-CE1 4.01Å; I696-F750 HydrophobicContact CD1-CE2 3.36Å; I696-F750 HydrophobicContact CD1-CG 4.07Å; I696-F750 HydrophobicContact CD1-CZ 3.53Å; F750-T752 HydrophobicContact CE1-CG2 3.92Å; F750-Y816 HydrophobicContact CE1-CD1 4.09Å; F750-Y816 HydrophobicContact CE2-CD1 4.33Å; F750-Y816 AromaticContact CZ-CD1 3.46Å; F750-Y816 HydrophobicContact CZ-CD1 3.46Å; F750-Y816 VanDerWaalsContact CZ-CD1 3.46Å; F750-Y816 HydrophobicContact CZ-CE1 4.33Å; F750-Y816 HydrophobicContact CZ-CG 4.09Å; F750-C817 WeakPolarHBondContact CA-O 3.48Å; F750-C817 WeakPolarHBondContact CD2-O 3.18Å
751A88.8Confident89.2Confident0 Ų040 Ų400%022%0.224CC..EExtended strand (participates in β ladder)trans-121.9141.7177.600000110.8E755 L757 Y816 C817A751-E755 WeakPolarHBondContact CA-OE2 3.26Å; A751-L757 HydrophobicContact CB-CD1 3.86Å; A751-L757 HydrophobicContact CB-CD2 4.05Å; A751-L757 HydrophobicContact CB-CG 4.14Å; A751-Y816 WeakPolarHBondContact O-CA 3.46Å; A751-C817 HydrophobicContact CB-CB 4.21Å; A751-C817 PolarHBondContact N-O 2.88Å; A751-C817 PolarHBondContact O-N 2.79Å
752T88.7Confident89.2Confident12 Ų1240.6 Ų40.67%0.07422%0.224CC..  trans-95149.6173.556.50000111.8F689 F750 G754 E755 S813 Y816F689-T752 HydrophobicContact CD2-CG2 4.37Å; F750-T752 HydrophobicContact CE1-CG2 3.92Å; T752-G754 PolarHBondContact O-N 2.86Å; T752-E755 PolarHBondContact N-OE2 3.47Å; T752-E755 WeakPolarHBondContact O-CB 3.46Å; T752-E755 PolarHBondContact O-N 2.75Å; T752-E755 PolarHBondContact OG1-OE2 3.5Å; T752-S813 PolarHBondContact O-OG 3.36Å; T752-Y816 HydrophobicContact CG2-CD1 4.33Å; T752-Y816 HydrophobicContact CG2-CE1 4.1Å
753P89.8Confident89Confident65 Ų6542 Ų4242%0.42224%0.237SC..THydrogen-bonded Turntrans-49.5129.1-179.6-2730.9000113.4Y816P753-Y816 VanDerWaalsContact CD-CD1 3.41Å; P753-Y816 HydrophobicContact CG-CD1 4.28Å; P753-Y816 HydrophobicContact CG-CD2 4.23Å; P753-Y816 HydrophobicContact CG-CE1 4.23Å; P753-Y816 HydrophobicContact CG-CE2 4.16Å; P753-Y816 HydrophobicContact CG-CG 4.29Å
754G87.6Confident88.8Confident40 Ų4042.2 Ų42.241%0.41224%0.238SC..THydrogen-bonded Turntrans85.3-0-174.900000115T752 S813T752-G754 PolarHBondContact O-N 2.86Å; G754-S813 PolarHBondContact N-O 3.17Å
755E89Confident88.7Confident21 Ų2146 Ų4610%0.09825%0.249CC..  trans-81120.9-179.6-175.9146.9-114.600111.7R685 A751 T752 S813R685-E755 IonicContact CZ-OE1 2.89Å; R685-E755 IonicContact NE-OE1 2.72Å; R685-E755 PolarHBondContact NE-OE1 3.44Å; R685-E755 IonicContact NH2-OE1 2.87Å; R685-E755 PolarHBondContact NH2-OE1 3.27Å; A751-E755 WeakPolarHBondContact CA-OE2 3.26Å; T752-E755 PolarHBondContact N-OE2 3.47Å; T752-E755 WeakPolarHBondContact O-CB 3.46Å; T752-E755 PolarHBondContact O-N 2.75Å; T752-E755 PolarHBondContact OG1-OE2 3.5Å; E755-S813 PolarHBondContact N-OG 2.94Å; E755-S813 PolarHBondContact O-N 3.45Å; E755-S813 PolarHBondContact O-OG 2.96Å
756Y91Very high88.8Confident105 Ų10546.5 Ų46.541%0.41225%0.25SC..EExtended strand (participates in β ladder)trans-71.5134.5165.6-64.2-87.7000110.3L778 N810 V811 K812Y756-L778 HydrophobicContact CE1-CD1 4.03Å; Y756-N810 HydrophobicContact CD1-CB 4.26Å; Y756-N810 HydrophobicContact CE1-CB 4.27Å; Y756-V811 CarbonylContact C-O 3.44Å; Y756-V811 WeakPolarHBondContact CA-O 3.36Å; Y756-K812 HydrophobicContact CD1-CB 3.85Å; Y756-K812 HydrophobicContact CD1-CD 4.15Å; Y756-K812 HydrophobicContact CD1-CG 4.46Å; Y756-K812 HydrophobicContact CD2-CD 4.3Å; Y756-K812 HydrophobicContact CE1-CB 3.91Å; Y756-K812 HydrophobicContact CE1-CD 3.63Å; Y756-K812 HydrophobicContact CE1-CG 4.35Å; Y756-K812 HydrophobicContact CE2-CD 3.81Å; Y756-K812 HydrophobicContact CG-CB 4.45Å; Y756-K812 HydrophobicContact CG-CD 4.46Å; Y756-K812 VanDerWaalsContact CZ-CD 3.44Å
757L91.3Very high88.8Confident33 Ų3346.7 Ų46.717%0.17325%0.251CS..EExtended strand (participates in β ladder)trans-111.5-30.7-175.6-80.7154.3000113.4A751 L775 V811 L819A751-L757 HydrophobicContact CB-CD1 3.86Å; A751-L757 HydrophobicContact CB-CD2 4.05Å; A751-L757 HydrophobicContact CB-CG 4.14Å; L757-L775 HydrophobicContact CD1-CD2 3.42Å; L757-L775 VanDerWaalsContact CD1-CD2 3.42Å; L757-V811 PolarHBondContact N-O 2.96Å; L757-L819 HydrophobicContact CD1-CD1 3.66Å; L757-L819 HydrophobicContact CD2-CD1 3.97Å; L757-L819 HydrophobicContact CG-CD1 4.44Å
758V91.6Very high89Confident8 Ų844.1 Ų44.15%0.04823%0.234CC..EExtended strand (participates in β ladder)trans-145.2134.2174.5-176.90000105.3D762 L764 Y768 N810 V811 L854V758-D762 HydrophobicContact CG1-CB 3.88Å; V758-L764 HydrophobicContact CG1-CD2 4.07Å; V758-Y768 HydrophobicContact CG2-CE2 3.89Å; V758-N810 CarbonylContact O-C 3.58Å; V758-N810 WeakPolarHBondContact O-CA 3.33Å; V758-V811 HydrophobicContact CB-CB 4.33Å; V758-V811 HydrophobicContact CB-CG2 4.29Å; V758-V811 PolarHBondContact O-N 3.27Å; V758-L854 HydrophobicContact CG1-CD1 4.36Å
759N91.3Very high89.2Confident68 Ų6841.9 Ų41.936%0.36422%0.219SC..  trans-102.3162.1174.7-46.4-79.8000109.7G761 D762 S807 Y809 N810N759-G761 PolarHBondContact O-N 3.03Å; N759-D762 WeakPolarHBondContact CB-OD2 3.4Å; N759-D762 PolarHBondContact N-OD2 3.4Å; N759-D762 PolarHBondContact ND2-OD2 2.97Å; N759-D762 WeakPolarHBondContact O-CB 3.4Å; N759-D762 PolarHBondContact O-N 2.95Å; N759-S807 WeakPolarHBondContact O-CB 3.28Å; N759-Y809 CarbonylContact C-O 3.59Å; N759-N810 VanDerWaalsContact CA-OD1 3.29Å; N759-N810 WeakPolarHBondContact CA-OD1 3.41Å
760Q88.6Confident89.4Confident53 Ų5337.5 Ų37.525%0.24820%0.203CC..THydrogen-bonded Turntrans-58.4135.7166.5-176.9176.7-3.400109.3D762 E780 Y809 N810Q760-D762 VanDerWaalsContact C-N 3.31Å; Q760-D762 PolarHBondContact O-N 3.43Å; Q760-E780 PolarHBondContact NE2-OE1 3.17Å; Q760-Y809 PolarHBondContact N-O 2.92Å; Q760-N810 PolarHBondContact N-OD1 3.42Å
761G85.4Confident89.4Confident39 Ų3936.6 Ų36.640%0.40220%0.201SC..THydrogen-bonded Turntrans81.4-8-172.600000115.6N759 F806 S807N759-G761 PolarHBondContact O-N 3.03Å; G761-F806 WeakPolarHBondContact O-CD1 3.29Å; G761-S807 PolarHBondContact N-O 3.21Å
762D88.4Confident89.4Confident52 Ų5239.5 Ų39.528%0.27822%0.221SC..  trans-68.9139.7175.6-86.5-26.5000111.8V758 N759 Q760 L764 F806 S807V758-D762 HydrophobicContact CG1-CB 3.88Å; N759-D762 WeakPolarHBondContact CB-OD2 3.4Å; N759-D762 PolarHBondContact N-OD2 3.4Å; N759-D762 PolarHBondContact ND2-OD2 2.97Å; N759-D762 WeakPolarHBondContact O-CB 3.4Å; N759-D762 PolarHBondContact O-N 2.95Å; Q760-D762 VanDerWaalsContact C-N 3.31Å; Q760-D762 PolarHBondContact O-N 3.43Å; D762-L764 PolarHBondContact O-N 3.43Å; D762-F806 CarbonylContact O-C 3.46Å; D762-F806 WeakPolarHBondContact O-CA 3.26Å; D762-S807 PolarHBondContact O-N 3Å
763A87.3Confident89.6Confident34 Ų3439.7 Ų39.728%0.28123%0.226SC..BIsolated β-bridgetrans-72123.2175.300000111.6R765 L804 F806A763-R765 VanDerWaalsContact C-N 3.34Å; A763-R765 PolarHBondContact O-N 2.87Å; A763-L804 HydrophobicContact CB-CD2 3.87Å; A763-F806 HydrophobicContact CB-CD1 4.34Å; A763-F806 HydrophobicContact CB-CE1 4.35Å
764L86.9Confident89.8Confident5 Ų539 Ų393%0.02622%0.222CC..  trans-76.173.2-171-64.4175.5000112.7V758 D762 F766 L804 G805 L854 K855V758-L764 HydrophobicContact CG1-CD2 4.07Å; D762-L764 PolarHBondContact O-N 3.43Å; L764-F766 VanDerWaalsContact C-N 3.32Å; L764-F766 PolarHBondContact O-N 2.94Å; L764-L804 WeakPolarHBondContact O-CD1 3.48Å; L764-G805 WeakPolarHBondContact CB-O 3.25Å; L764-G805 PolarHBondContact N-O 3.14Å; L764-L854 HydrophobicContact CD1-CB 3.81Å; L764-L854 HydrophobicContact CD2-CB 3.8Å; L764-L854 HydrophobicContact CD2-CD1 3.68Å; L764-L854 HydrophobicContact CD2-CG 4.42Å; L764-L854 HydrophobicContact CG-CB 4.49Å; L764-K855 HydrophobicContact CD1-CB 4.04Å
765R86.7Confident90.2Very high149 Ų14937.1 Ų37.156%0.56220%0.203SC*.  trans-77.1-6.6-177.7-64.6177.4-162.3-166.74.5115.6A763 L804 L824A763-R765 VanDerWaalsContact C-N 3.34Å; A763-R765 PolarHBondContact O-N 2.87Å; R765-L804 HydrophobicContact CG-CD2 3.78Å; R765-L824 PolarHBondContact O-N 3.4Å
766F90.6Very high90.5Very high36 Ų3637.1 Ų37.116%0.15820%0.203CC..EExtended strand (participates in β ladder)trans-141.8137.9-170.2-59.3-84.4000111.9L764 Y768 C821 I822 A823L764-F766 VanDerWaalsContact C-N 3.32Å; L764-F766 PolarHBondContact O-N 2.94Å; F766-Y768 HydrophobicContact CB-CD2 4.19Å; F766-Y768 HydrophobicContact CB-CE1 4.22Å; F766-Y768 HydrophobicContact CB-CE2 3.71Å; F766-C821 HydrophobicContact CB-CB 4.27Å; F766-C821 HydrophobicContact CD1-CB 4.25Å; F766-I822 WeakPolarHBondContact CA-O 3.25Å; F766-A823 HydrophobicContact CD1-CB 3.99Å; F766-A823 HydrophobicContact CE1-CB 3.68Å
767I90.3Very high90.6Very high11 Ų1132.1 Ų32.16%0.05618%0.183CC..EExtended strand (participates in β ladder)trans-88.4129.8158.1-62.3171000107I793 M798 C821 I822 L824 F842 I846I767-I793 HydrophobicContact CG2-CG2 3.97Å; I767-M798 HydrophobicContact CD1-CG 4.49Å; I767-C821 VanDerWaalsContact O-CA 3.23Å; I767-C821 WeakPolarHBondContact O-CA 3.41Å; I767-I822 PolarHBondContact N-O 2.98Å; I767-I822 PolarHBondContact O-N 3.38Å; I767-L824 HydrophobicContact CD1-CD2 3.9Å; I767-L824 HydrophobicContact CG1-CD1 4.33Å; I767-L824 HydrophobicContact CG1-CD2 4.05Å; I767-L824 HydrophobicContact CG1-CG 4.43Å; I767-F842 HydrophobicContact CD1-CE1 4.39Å; I767-F842 HydrophobicContact CD1-CZ 4.42Å; I767-I846 HydrophobicContact CD1-CD1 4.32Å; I767-I846 HydrophobicContact CD1-CG1 4.19Å; I767-I846 HydrophobicContact CG2-CD1 4.28Å
768Y92.3Very high90.7Very high10 Ų1031.1 Ų31.14%0.03918%0.178CC..EExtended strand (participates in β ladder)trans-111.2142.3-177.7-64.7-87.7000111.6R749 V758 F766 I793 F794 L819 C821R749-Y768 PolarHBondContact NH1-OH 3.28Å; V758-Y768 HydrophobicContact CG2-CE2 3.89Å; F766-Y768 HydrophobicContact CB-CD2 4.19Å; F766-Y768 HydrophobicContact CB-CE1 4.22Å; F766-Y768 HydrophobicContact CB-CE2 3.71Å; Y768-I793 WeakPolarHBondContact O-CA 3.2Å; Y768-F794 HydrophobicContact CD1-CZ 4.24Å; Y768-F794 AromaticContact CD2-CD2 4Å; Y768-F794 HydrophobicContact CD2-CD2 4Å; Y768-F794 AromaticContact CD2-CE2 3.48Å; Y768-F794 HydrophobicContact CD2-CE2 3.48Å; Y768-F794 VanDerWaalsContact CD2-CE2 3.48Å; Y768-F794 AromaticContact CD2-CZ 3.86Å; Y768-F794 HydrophobicContact CD2-CZ 3.86Å; Y768-F794 HydrophobicContact CE2-CE2 4.18Å; Y768-F794 HydrophobicContact CG-CD2 4.39Å; Y768-F794 HydrophobicContact CG-CE1 4.11Å; Y768-F794 AromaticContact CG-CE2 3.75Å; Y768-F794 HydrophobicContact CG-CE2 3.75Å; Y768-F794 AromaticContact CG-CZ 3.6Å; Y768-F794 HydrophobicContact CG-CZ 3.6Å; Y768-F794 PolarHBondContact N-O 2.88Å; Y768-F794 PolarHBondContact O-N 3.48Å; Y768-L819 HydrophobicContact CD1-CD1 4.25Å; Y768-C821 HydrophobicContact CD1-CB 3.72Å; Y768-C821 HydrophobicContact CE1-CB 3.99Å; Y768-C821 HydrophobicContact CG-CB 4.43Å
769F91.6Very high90.6Very high11 Ų1131 Ų315%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-126125.6174.2174-113.2000110.2I725 L728 C771 C791 I793 L819 Q820I725-F769 HydrophobicContact CB-CD1 3.89Å; I725-F769 HydrophobicContact CB-CE1 4.05Å; I725-F769 HydrophobicContact CD1-CB 3.87Å; I725-F769 HydrophobicContact CD1-CD1 4.03Å; I725-F769 HydrophobicContact CD1-CG 4.14Å; I725-F769 HydrophobicContact CG1-CB 4.48Å; I725-F769 HydrophobicContact CG1-CD1 3.97Å; I725-F769 HydrophobicContact CG1-CE1 4.47Å; I725-F769 HydrophobicContact CG1-CG 4.25Å; L728-F769 HydrophobicContact CD1-CD2 3.97Å; L728-F769 HydrophobicContact CD1-CE2 3.71Å; L728-F769 HydrophobicContact CD1-CG 4.5Å; L728-F769 HydrophobicContact CD1-CZ 4.07Å; L728-F769 HydrophobicContact CD2-CE2 4.19Å; L728-F769 HydrophobicContact CD2-CZ 4.35Å; L728-F769 HydrophobicContact CG-CE2 4.49Å; F769-C771 VanDerWaalsContact CD1-SG 3.55Å; F769-C771 PolarHBondContact O-N 3.41Å; F769-C791 HydrophobicContact CE2-CB 4.27Å; F769-C791 HydrophobicContact CZ-CB 4.43Å; F769-I793 HydrophobicContact CD2-CG1 3.81Å; F769-I793 HydrophobicContact CE2-CG1 4.48Å; F769-L819 WeakPolarHBondContact O-CA 3.31Å; F769-Q820 HydrophobicContact CD1-CB 4.48Å; F769-Q820 PolarHBondContact N-O 2.92Å; F769-Q820 PolarHBondContact O-N 2.93Å
770V92.1Very high90.1Very high0 Ų034.7 Ų34.70%019%0.193CC..EExtended strand (participates in β ladder)trans-85.1102.6-174.8-173.10000110.5L775 L788 G789 C791 D792 F794 L819V770-L775 HydrophobicContact CB-CD1 4.42Å; V770-L775 HydrophobicContact CG1-CD1 3.79Å; V770-L775 HydrophobicContact CG2-CD1 3.66Å; V770-L788 HydrophobicContact CG2-CB 4.44Å; V770-G789 WeakPolarHBondContact CB-O 3.21Å; V770-G789 WeakPolarHBondContact CG1-O 3.5Å; V770-C791 PolarHBondContact O-N 3.21Å; V770-D792 HydrophobicContact CG2-CB 4.47Å; V770-D792 PolarHBondContact N-O 3.07Å; V770-F794 HydrophobicContact CG2-CD1 4.07Å; V770-F794 HydrophobicContact CG2-CE1 3.84Å; V770-L819 HydrophobicContact CB-CD2 4.22Å; V770-L819 HydrophobicContact CG1-CD2 4.21Å; V770-L819 HydrophobicContact CG2-CD2 3.93Å
771C88.2Confident89.8Confident17 Ų1740.6 Ų40.612%0.11522%0.221CC..EExtended strand (participates in β ladder)trans-80.6-33.5-178.7-610000112.3F769 K790 E818 Q820F769-C771 VanDerWaalsContact CD1-SG 3.55Å; F769-C771 PolarHBondContact O-N 3.41Å; C771-K790 WeakPolarHBondContact O-CD 3.19Å; C771-K790 VanDerWaalsContact O-CE 3.3Å; C771-K790 WeakPolarHBondContact O-CE 3.44Å; C771-K790 PolarHBondContact O-NZ 2.86Å; C771-E818 HydrophobicContact CB-CB 4.42Å; C771-E818 HydrophobicContact CB-CG 4.34Å; C771-E818 WeakPolarHBondContact CB-O 3.37Å; C771-E818 PolarHBondContact N-O 3.34Å; C771-Q820 VanDerWaalsContact SG-CG 3.54Å
772S89.4Confident89.6Confident60 Ų6041 Ų4142%0.4223%0.225SC..EExtended strand (participates in β ladder)trans-160.7151.5178.7-166.70000110.8C817 E818S772-C817 VanDerWaalsContact O-CA 3.32Å; S772-C817 WeakPolarHBondContact O-CA 3.41Å; S772-E818 PolarHBondContact N-O 2.76Å; S772-E818 PolarHBondContact O-N 3.41Å
773G91.5Very high89.7Confident17 Ų1741.9 Ų41.918%0.17523%0.232CC..SBendtrans97.8-169-179.300000114.3T815G773-T815 WeakPolarHBondContact CA-OG1 3.47Å
774S94.8Very high89.8Confident50 Ų5044.2 Ų44.235%0.3524%0.243SC..  trans-141.3142.7177.4-62.40000111.6L788 L814 T815 C817S774-L788 CarbonylContact C-O 3.43Å; S774-L788 VanDerWaalsContact CA-O 3.3Å; S774-L788 WeakPolarHBondContact CA-O 3.47Å; S774-L814 WeakPolarHBondContact O-CB 3.31Å; S774-L814 PolarHBondContact O-N 3.18Å; S774-T815 PolarHBondContact N-OG1 3.34Å; S774-T815 PolarHBondContact O-N 2.81Å; S774-C817 PolarHBondContact N-SG 2.98Å; S774-C817 PolarHBondContact O-SG 2.85Å
775L95.6Very high90Very high0 Ų047.2 Ų47.20%026%0.261CS..EExtended strand (participates in β ladder)trans-127153.3178.8-52.590.7000110.4L757 V770 L787 L788 F794 V811 K812 L819L757-L775 HydrophobicContact CD1-CD2 3.42Å; L757-L775 VanDerWaalsContact CD1-CD2 3.42Å; V770-L775 HydrophobicContact CB-CD1 4.42Å; V770-L775 HydrophobicContact CG1-CD1 3.79Å; V770-L775 HydrophobicContact CG2-CD1 3.66Å; L775-L787 CarbonylContact O-C 3.5Å; L775-L787 WeakPolarHBondContact O-CA 3.01Å; L775-L788 HydrophobicContact CB-CB 4.29Å; L775-L788 HydrophobicContact CD1-CB 4.3Å; L775-L788 PolarHBondContact N-O 3.06Å; L775-L788 PolarHBondContact O-N 3.23Å; L775-F794 HydrophobicContact CD2-CE1 4.4Å; L775-F794 HydrophobicContact CD2-CZ 4.19Å; L775-V811 HydrophobicContact CB-CG1 4.43Å; L775-V811 HydrophobicContact CD2-CG1 3.88Å; L775-K812 CarbonylContact C-O 3.42Å; L775-K812 VanDerWaalsContact CA-O 3.3Å; L775-K812 WeakPolarHBondContact CA-O 3.46Å; L775-K812 WeakPolarHBondContact CB-O 3.34Å; L775-L819 HydrophobicContact CD1-CD2 4.25Å; L775-L819 HydrophobicContact CD2-CD1 4.44Å
776E95.1Very high90.1Very high22 Ų2241 Ų4110%0.10324%0.244CC..EExtended strand (participates in β ladder)trans-112.3144.1169.665-169.7165.200110.2L778 V784 G786 L787 K812 L814E776-L778 HydrophobicContact CB-CD2 4.49Å; E776-L778 HydrophobicContact CG-CD1 4.36Å; E776-L778 HydrophobicContact CG-CD2 4.04Å; E776-L778 HydrophobicContact CG-CG 4.15Å; E776-V784 HydrophobicContact CB-CG1 4.38Å; E776-G786 WeakPolarHBondContact CA-O 3.34Å; E776-L787 HydrophobicContact CB-CD2 3.86Å; E776-K812 HydrophobicContact CG-CB 3.91Å; E776-K812 HydrophobicContact CG-CG 4.28Å; E776-K812 PolarHBondContact N-O 3.03Å; E776-K812 PolarHBondContact O-N 3.03Å; E776-K812 WeakPolarHBondContact OE1-CE 3.41Å; E776-K812 WeakPolarHBondContact OE1-CG 3.27Å; E776-K812 IonicContact OE1-NZ 3.67Å; E776-K812 PolarHBondContact OE1-NZ 3.27Å; E776-L814 HydrophobicContact CB-CD1 4.25Å; E776-L814 HydrophobicContact CB-CG 4.26Å; E776-L814 HydrophobicContact CG-CD2 4.21Å; E776-L814 HydrophobicContact CG-CG 4.27Å
777I94.5Very high90.3Very high0 Ų045 Ų450%027%0.266CS..EExtended strand (participates in β ladder)trans-107.6126.6173.9-54.2178.5000106.8V784 V785 G786 L788 Y809 N810 F852I777-V784 CarbonylContact O-C 3.58Å; I777-V784 WeakPolarHBondContact O-CA 3.33Å; I777-V785 HydrophobicContact CG2-CB 4.47Å; I777-V785 PolarHBondContact O-N 2.96Å; I777-G786 PolarHBondContact N-O 3.41Å; I777-G786 PolarHBondContact O-N 3.13Å; I777-L788 HydrophobicContact CD1-CD1 3.95Å; I777-L788 HydrophobicContact CD1-CD2 4.18Å; I777-L788 HydrophobicContact CD1-CG 3.96Å; I777-L788 HydrophobicContact CG1-CD1 4.21Å; I777-L788 HydrophobicContact CG1-CG 4.29Å; I777-Y809 HydrophobicContact CG2-CD1 4.32Å; I777-Y809 HydrophobicContact CG2-CD2 4.48Å; I777-Y809 HydrophobicContact CG2-CG 3.88Å; I777-N810 CarbonylContact C-O 3.56Å; I777-N810 WeakPolarHBondContact CA-O 3.38Å; I777-F852 HydrophobicContact CD1-CB 3.78Å; I777-F852 HydrophobicContact CD1-CD1 3.54Å; I777-F852 HydrophobicContact CD1-CD2 3.59Å; I777-F852 HydrophobicContact CD1-CE1 3.97Å; I777-F852 HydrophobicContact CD1-CE2 4Å; I777-F852 HydrophobicContact CD1-CG 3.32Å; I777-F852 HydrophobicContact CD1-CZ 4.18Å; I777-F852 HydrophobicContact CG2-CE1 4.06Å; I777-F852 HydrophobicContact CG2-CZ 4.07Å
778L93.4Very high90.4Very high11 Ų1144.9 Ų44.96%0.05827%0.265CS..EExtended strand (participates in β ladder)trans-118.8129.6-171.6-53.5169000110.3Y756 E776 T783 V784 N810 K812Y756-L778 HydrophobicContact CE1-CD1 4.03Å; E776-L778 HydrophobicContact CB-CD2 4.49Å; E776-L778 HydrophobicContact CG-CD1 4.36Å; E776-L778 HydrophobicContact CG-CD2 4.04Å; E776-L778 HydrophobicContact CG-CG 4.15Å; L778-T783 CarbonylContact C-O 3.59Å; L778-T783 VanDerWaalsContact CA-O 3.3Å; L778-T783 WeakPolarHBondContact CA-O 3.44Å; L778-V784 HydrophobicContact CD2-CB 4.41Å; L778-V784 HydrophobicContact CD2-CG2 3.7Å; L778-N810 HydrophobicContact CB-CB 4.25Å; L778-N810 PolarHBondContact N-O 3.4Å; L778-N810 PolarHBondContact O-N 3.22Å; L778-K812 HydrophobicContact CD1-CB 4.11Å; L778-K812 HydrophobicContact CD1-CD 4.24Å
779G88.4Confident90.4Very high6 Ų645.4 Ų45.46%0.06227%0.274CS..  trans-77.1-173.917200000113.1E781 G782 T783G779-E781 VanDerWaalsContact C-N 3.33Å; G779-E781 PolarHBondContact O-N 3.12Å; G779-G782 WeakPolarHBondContact O-CA 3.44Å; G779-G782 PolarHBondContact O-N 3.06Å; G779-T783 PolarHBondContact N-O 3.14Å
780E82Confident90.3Very high145 Ų14551 Ų5168%0.67830%0.298SS*.THydrogen-bonded Turntrans-59.3-41.8-174.1-44.5-162114.300112.5Q760 G782Q760-E780 PolarHBondContact NE2-OE1 3.17Å; E780-G782 PolarHBondContact O-N 2.82Å
781E81.2Confident89.9Confident177 Ų17754.3 Ų54.383%0.82732%0.321SS*.THydrogen-bonded Turntrans-77.67.1176.8-59.5-175.2148.300113.6G779 T783G779-E781 VanDerWaalsContact C-N 3.33Å; G779-E781 PolarHBondContact O-N 3.12Å; E781-T783 HydrophobicContact CB-CG2 4.04Å; E781-T783 PolarHBondContact O-N 2.67Å
782G82.5Confident90Very high47 Ų4755.8 Ų55.849%0.48533%0.327SS..SBendtrans70.913-171.100000114G779 E780G779-G782 WeakPolarHBondContact O-CA 3.44Å; G779-G782 PolarHBondContact O-N 3.06Å; E780-G782 PolarHBondContact O-N 2.82Å
783T88.9Confident90.1Very high71 Ų7153.3 Ų53.344%0.43631%0.31SS..  trans-71.2135.9177.843.70000111.3L778 G779 E781 V785L778-T783 CarbonylContact C-O 3.59Å; L778-T783 VanDerWaalsContact CA-O 3.3Å; L778-T783 WeakPolarHBondContact CA-O 3.44Å; G779-T783 PolarHBondContact N-O 3.14Å; E781-T783 HydrophobicContact CB-CG2 4.04Å; E781-T783 PolarHBondContact O-N 2.67Å; T783-V785 PolarHBondContact O-N 3.4Å; T783-V785 VanDerWaalsContact O-N 3.15Å
784V90.7Very high90.1Very high84 Ų8452.5 Ų52.551%0.50930%0.301SS..EExtended strand (participates in β ladder)trans-74.6105.7179.8-177.60000110E776 I777 L778 L787E776-V784 HydrophobicContact CB-CG1 4.38Å; I777-V784 CarbonylContact O-C 3.58Å; I777-V784 WeakPolarHBondContact O-CA 3.33Å; L778-V784 HydrophobicContact CD2-CB 4.41Å; L778-V784 HydrophobicContact CD2-CG2 3.7Å; V784-L787 HydrophobicContact CG1-CD2 4.28Å; V784-L787 HydrophobicContact CG1-CG 4.34Å
785V90.1Very high89.8Confident67 Ų6750.1 Ų50.141%0.40629%0.285SS..EExtended strand (participates in β ladder)trans-83-30.3179-179.60000111.4I777 T783 Y809 F852I777-V785 HydrophobicContact CG2-CB 4.47Å; I777-V785 PolarHBondContact O-N 2.96Å; T783-V785 PolarHBondContact O-N 3.4Å; T783-V785 VanDerWaalsContact O-N 3.15Å; V785-Y809 HydrophobicContact CB-CD1 4.47Å; V785-Y809 HydrophobicContact CB-CE1 4.38Å; V785-Y809 HydrophobicContact CG1-CD1 4.48Å; V785-Y809 HydrophobicContact CG1-CE1 4Å; V785-Y809 HydrophobicContact CG2-CD1 4.04Å; V785-Y809 HydrophobicContact CG2-CE1 3.91Å; V785-F852 HydrophobicContact CG1-CE2 4.04Å; V785-F852 HydrophobicContact CG1-CZ 3.96Å
786G89.3Confident89.3Confident19 Ų1950.5 Ų50.520%0.19629%0.287CS..EExtended strand (participates in β ladder)trans-162.4161.3-179.200000113.8E776 I777E776-G786 WeakPolarHBondContact CA-O 3.34Å; I777-G786 PolarHBondContact N-O 3.41Å; I777-G786 PolarHBondContact O-N 3.13Å
787L93.5Very high88.6Confident121 Ų12150.6 Ų50.663%0.63429%0.288SS*.EExtended strand (participates in β ladder)trans-124.7125.8172.8-70.3171.3000108.8L775 E776 V784 L814L775-L787 CarbonylContact O-C 3.5Å; L775-L787 WeakPolarHBondContact O-CA 3.01Å; E776-L787 HydrophobicContact CB-CD2 3.86Å; V784-L787 HydrophobicContact CG1-CD2 4.28Å; V784-L787 HydrophobicContact CG1-CG 4.34Å; L787-L814 HydrophobicContact CD2-CD1 3.7Å
788L93.4Very high87.5Confident7 Ų752.3 Ų52.34%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-103.5129.3176.5-57.9172.7000109.2V770 S774 L775 I777 D792 F794 F852V770-L788 HydrophobicContact CG2-CB 4.44Å; S774-L788 CarbonylContact C-O 3.43Å; S774-L788 VanDerWaalsContact CA-O 3.3Å; S774-L788 WeakPolarHBondContact CA-O 3.47Å; L775-L788 HydrophobicContact CB-CB 4.29Å; L775-L788 HydrophobicContact CD1-CB 4.3Å; L775-L788 PolarHBondContact N-O 3.06Å; L775-L788 PolarHBondContact O-N 3.23Å; I777-L788 HydrophobicContact CD1-CD1 3.95Å; I777-L788 HydrophobicContact CD1-CD2 4.18Å; I777-L788 HydrophobicContact CD1-CG 3.96Å; I777-L788 HydrophobicContact CG1-CD1 4.21Å; I777-L788 HydrophobicContact CG1-CG 4.29Å; L788-D792 HydrophobicContact CB-CB 4.29Å; L788-D792 HydrophobicContact CD2-CB 4.09Å; L788-F794 HydrophobicContact CD1-CB 3.78Å; L788-F794 HydrophobicContact CD1-CD1 3.43Å; L788-F794 VanDerWaalsContact CD1-CD1 3.43Å; L788-F794 HydrophobicContact CD1-CD2 4.24Å; L788-F794 HydrophobicContact CD1-CE1 3.97Å; L788-F794 HydrophobicContact CD1-CG 3.57Å; L788-F852 HydrophobicContact CD2-CB 4.14Å
789G92.1Very high86Confident21 Ų2157.3 Ų57.322%0.21632%0.324CS..  trans-111-167.5176.900000112.7V770 C791 D792V770-G789 WeakPolarHBondContact CB-O 3.21Å; V770-G789 WeakPolarHBondContact CG1-O 3.5Å; G789-C791 PolarHBondContact O-N 3.25Å; G789-D792 PolarHBondContact N-OD2 3.24Å; G789-D792 PolarHBondContact O-N 2.82Å
790K88.6Confident84.5Confident128 Ų12864.2 Ų64.256%0.55736%0.359SS*.THydrogen-bonded Turntrans-63.5135.7175.9173.3166.4179.8131.80111.2C771 D792C771-K790 WeakPolarHBondContact O-CD 3.19Å; C771-K790 VanDerWaalsContact O-CE 3.3Å; C771-K790 WeakPolarHBondContact O-CE 3.44Å; C771-K790 PolarHBondContact O-NZ 2.86Å; K790-D792 VanDerWaalsContact C-N 3.35Å
791C84.4Confident83.3Confident71 Ų7160.9 Ų60.948%0.4835%0.346SS..THydrogen-bonded Turntrans75.76.8-177.2-61.40000116.2F769 V770 G789F769-C791 HydrophobicContact CE2-CB 4.27Å; F769-C791 HydrophobicContact CZ-CB 4.43Å; V770-C791 PolarHBondContact O-N 3.21Å; G789-C791 PolarHBondContact O-N 3.25Å
792D91.1Very high82.1Confident47 Ų4758.2 Ų58.225%0.25134%0.343SS..  trans-76151.2170.4-74.4-54.7000113V770 L788 G789 K790 S851V770-D792 HydrophobicContact CG2-CB 4.47Å; V770-D792 PolarHBondContact N-O 3.07Å; L788-D792 HydrophobicContact CB-CB 4.29Å; L788-D792 HydrophobicContact CD2-CB 4.09Å; G789-D792 PolarHBondContact N-OD2 3.24Å; G789-D792 PolarHBondContact O-N 2.82Å; K790-D792 VanDerWaalsContact C-N 3.35Å; D792-S851 WeakPolarHBondContact CA-OG 3.41Å; D792-S851 WeakPolarHBondContact CB-OG 3.39Å; D792-S851 VanDerWaalsContact OD1-CB 3.29Å; D792-S851 WeakPolarHBondContact OD1-CB 3.45Å; D792-S851 PolarHBondContact OD1-OG 3.39Å
793I90.9Very high81.1Confident9 Ų962.7 Ų62.75%0.04636%0.355CS..EExtended strand (participates in β ladder)trans-117.2133.9177.4-59.2160.2000108.3L728 L730 I767 Y768 F769 I846 E849 L850 S851 F852L728-I793 HydrophobicContact CD1-CD1 4.37Å; L730-I793 HydrophobicContact CD1-CD1 4.17Å; I767-I793 HydrophobicContact CG2-CG2 3.97Å; Y768-I793 WeakPolarHBondContact O-CA 3.2Å; F769-I793 HydrophobicContact CD2-CG1 3.81Å; F769-I793 HydrophobicContact CE2-CG1 4.48Å; I793-I846 HydrophobicContact CG2-CD1 4.22Å; I793-E849 HydrophobicContact CD1-CB 4.14Å; I793-L850 HydrophobicContact CG2-CD1 3.96Å; I793-S851 PolarHBondContact N-OG 2.94Å; I793-S851 VanDerWaalsContact N-OG 3.17Å; I793-S851 WeakPolarHBondContact O-CA 3.47Å; I793-S851 VanDerWaalsContact O-CB 3.24Å; I793-S851 WeakPolarHBondContact O-CB 3.2Å; I793-S851 PolarHBondContact O-N 3.48Å; I793-F852 PolarHBondContact O-N 2.8Å
794F92.2Very high80.1Confident0 Ų062.7 Ų62.70%035%0.352CS..EExtended strand (participates in β ladder)trans-143.8151.2176.871.7-84.5000112.5Y768 V770 L775 L788 V811 L819 F852 L854Y768-F794 HydrophobicContact CD1-CZ 4.24Å; Y768-F794 AromaticContact CD2-CD2 4Å; Y768-F794 HydrophobicContact CD2-CD2 4Å; Y768-F794 AromaticContact CD2-CE2 3.48Å; Y768-F794 HydrophobicContact CD2-CE2 3.48Å; Y768-F794 VanDerWaalsContact CD2-CE2 3.48Å; Y768-F794 AromaticContact CD2-CZ 3.86Å; Y768-F794 HydrophobicContact CD2-CZ 3.86Å; Y768-F794 HydrophobicContact CE2-CE2 4.18Å; Y768-F794 HydrophobicContact CG-CD2 4.39Å; Y768-F794 HydrophobicContact CG-CE1 4.11Å; Y768-F794 AromaticContact CG-CE2 3.75Å; Y768-F794 HydrophobicContact CG-CE2 3.75Å; Y768-F794 AromaticContact CG-CZ 3.6Å; Y768-F794 HydrophobicContact CG-CZ 3.6Å; Y768-F794 PolarHBondContact N-O 2.88Å; Y768-F794 PolarHBondContact O-N 3.48Å; V770-F794 HydrophobicContact CG2-CD1 4.07Å; V770-F794 HydrophobicContact CG2-CE1 3.84Å; L775-F794 HydrophobicContact CD2-CE1 4.4Å; L775-F794 HydrophobicContact CD2-CZ 4.19Å; L788-F794 HydrophobicContact CD1-CB 3.78Å; L788-F794 HydrophobicContact CD1-CD1 3.43Å; L788-F794 VanDerWaalsContact CD1-CD1 3.43Å; L788-F794 HydrophobicContact CD1-CD2 4.24Å; L788-F794 HydrophobicContact CD1-CE1 3.97Å; L788-F794 HydrophobicContact CD1-CG 3.57Å; F794-V811 HydrophobicContact CE2-CG1 3.96Å; F794-V811 HydrophobicContact CE2-CG2 4.36Å; F794-V811 HydrophobicContact CZ-CG1 4.19Å; F794-L819 HydrophobicContact CE1-CD2 4.47Å; F794-L819 HydrophobicContact CZ-CD1 4.49Å; F794-F852 WeakPolarHBondContact CA-O 3.43Å; F794-F852 HydrophobicContact CB-CB 4.47Å; F794-L854 HydrophobicContact CD2-CD1 3.97Å; F794-L854 HydrophobicContact CE2-CD1 4.5Å
795G88.9Confident79.4Confident0 Ų059.1 Ų59.10%033%0.332CS..EExtended strand (participates in β ladder)trans155.7-148.3-173.300000111.6F852 N853 L854G795-F852 PolarHBondContact N-O 2.89Å; G795-N853 CarbonylContact O-C 3.56Å; G795-N853 WeakPolarHBondContact O-CA 3.36Å; G795-L854 PolarHBondContact O-N 3.42Å
796S84.7Confident79.2Confident7 Ų759.5 Ų59.55%0.04933%0.328CS..  trans-106.2150.6170.7580000111.6
797D80.4Confident79.2Confident25 Ų2558.6 Ų58.613%0.13432%0.319CS..  trans-69.3162.2162.8-144.3-27.7000112.1S847D797-S847 WeakPolarHBondContact OD2-CA 3.4Å; D797-S847 WeakPolarHBondContact OD2-CB 3.33Å
798M71.2Confident78.9Confident35 Ų3553.3 Ų53.317%0.17229%0.293CS..  trans-109.831.6-168-69.2-63.8-61.400114I767 D800 L801 L824 F832 I846I767-M798 HydrophobicContact CD1-CG 4.49Å; M798-D800 PolarHBondContact O-N 3.25Å; M798-L801 HydrophobicContact CE-CD1 3.79Å; M798-L824 HydrophobicContact CE-CD2 4.19Å; M798-L824 HydrophobicContact SD-CD1 4.07Å; M798-L824 HydrophobicContact SD-CD2 3.71Å; M798-F832 HydrophobicContact CE-CE2 4.46Å; M798-I846 HydrophobicContact CB-CG2 4.3Å; M798-I846 HydrophobicContact CG-CG2 4.24Å
799D61.6Low78.8Confident117 Ų11755.5 Ų55.563%0.62630%0.301SS*.  trans-64.1121.1171.6-61.9-50.7000111.6
800D55.7Low78.9Confident150 Ų15056 Ų5680%0.80230%0.299SS*.SBendtrans26.494.2173.8-73.1-29.1000117.9M798M798-D800 PolarHBondContact O-N 3.25Å
801L58.2Low79.1Confident76 Ų7649.9 Ų49.940%0.39827%0.272SS..THydrogen-bonded Turntrans-46.3147164.7-90.978.8000112.5M798 Q829M798-L801 HydrophobicContact CE-CD1 3.79Å; L801-Q829 HydrophobicContact CD2-CG 4.28Å
802P55.2Low79.6Confident120 Ų12049 Ų4978%0.77926%0.26SS*.THydrogen-bonded Turncis-124.413.828.442.2-31.7000116.2L804P802-L804 PolarHBondContact O-N 2.88Å
803I60.9Low79.7Confident141 Ų14146.8 Ų46.872%0.72325%0.248SC*.  trans-81.5114.2-175-54.3179.7000110.5
804L69.8Low79.8Confident72 Ų7250.1 Ų50.138%0.37727%0.266SS..PPolyproline II helixtrans-69.5126.8175.1-16768.6000110A763 L764 R765 P802A763-L804 HydrophobicContact CB-CD2 3.87Å; L764-L804 WeakPolarHBondContact O-CD1 3.48Å; R765-L804 HydrophobicContact CG-CD2 3.78Å; P802-L804 PolarHBondContact O-N 2.88Å
805G74.8Confident79.8Confident9 Ų952.8 Ų52.89%0.09328%0.282CS..PPolyproline II helixtrans-73.6154.7179.900000113.3L764L764-G805 WeakPolarHBondContact CB-O 3.25Å; L764-G805 PolarHBondContact N-O 3.14Å
806F86.8Confident79.9Confident75 Ų7559.5 Ų59.533%0.32931%0.308SS..BIsolated β-bridgetrans-96.6154.4167.9-61.7-74.9000110.6G761 D762 A763 F858G761-F806 WeakPolarHBondContact O-CD1 3.29Å; D762-F806 CarbonylContact O-C 3.46Å; D762-F806 WeakPolarHBondContact O-CA 3.26Å; A763-F806 HydrophobicContact CB-CD1 4.34Å; A763-F806 HydrophobicContact CB-CE1 4.35Å; F806-F858 HydrophobicContact CB-CD1 4.26Å; F806-F858 HydrophobicContact CB-CD2 3.79Å; F806-F858 HydrophobicContact CB-CE1 4.08Å; F806-F858 HydrophobicContact CB-CE2 3.58Å; F806-F858 HydrophobicContact CB-CG 4.13Å; F806-F858 HydrophobicContact CB-CZ 3.74Å; F806-F858 HydrophobicContact CD2-CD1 4.47Å; F806-F858 AromaticContact CD2-CE1 3.74Å; F806-F858 HydrophobicContact CD2-CE1 3.74Å; F806-F858 HydrophobicContact CD2-CE2 4.44Å; F806-F858 AromaticContact CD2-CZ 3.72Å; F806-F858 HydrophobicContact CD2-CZ 3.72Å; F806-F858 HydrophobicContact CG-CE1 4.31Å; F806-F858 HydrophobicContact CG-CE2 4.25Å; F806-F858 AromaticContact CG-CZ 3.97Å; F806-F858 HydrophobicContact CG-CZ 3.97Å
807S88.9Confident80.1Confident0 Ų059.2 Ų59.20%031%0.306CS..PPolyproline II helixtrans-79.4127.1175.6-162.40000111.3N759 G761 D762 Y809 L854N759-S807 WeakPolarHBondContact O-CB 3.28Å; G761-S807 PolarHBondContact N-O 3.21Å; D762-S807 PolarHBondContact O-N 3Å; S807-Y809 VanDerWaalsContact C-N 3.26Å; S807-Y809 PolarHBondContact OG-N 2.97Å; S807-Y809 PolarHBondContact OG-O 3.31Å; S807-L854 WeakPolarHBondContact CA-O 3.47Å
808A87.2Confident80.6Confident9 Ų962.4 Ų62.47%0.07432%0.32CS..SBendtrans-76.2-13.8168.400000113L854 F858A808-L854 PolarHBondContact N-O 3.41Å; A808-F858 HydrophobicContact CB-CB 4.15Å
809Y92Very high81.6Confident53 Ų5360.7 Ų60.721%0.20831%0.312CS..SBendtrans-134.6157.1-170.3-55-79000112.9N759 Q760 I777 V785 S807 F852 L854 A856N759-Y809 CarbonylContact C-O 3.59Å; Q760-Y809 PolarHBondContact N-O 2.92Å; I777-Y809 HydrophobicContact CG2-CD1 4.32Å; I777-Y809 HydrophobicContact CG2-CD2 4.48Å; I777-Y809 HydrophobicContact CG2-CG 3.88Å; V785-Y809 HydrophobicContact CB-CD1 4.47Å; V785-Y809 HydrophobicContact CB-CE1 4.38Å; V785-Y809 HydrophobicContact CG1-CD1 4.48Å; V785-Y809 HydrophobicContact CG1-CE1 4Å; V785-Y809 HydrophobicContact CG2-CD1 4.04Å; V785-Y809 HydrophobicContact CG2-CE1 3.91Å; S807-Y809 VanDerWaalsContact C-N 3.26Å; S807-Y809 PolarHBondContact OG-N 2.97Å; S807-Y809 PolarHBondContact OG-O 3.31Å; Y809-F852 AromaticContact CD2-CE1 3.53Å; Y809-F852 HydrophobicContact CD2-CE1 3.53Å; Y809-F852 AromaticContact CD2-CZ 3.87Å; Y809-F852 HydrophobicContact CD2-CZ 3.87Å; Y809-F852 AromaticContact CE2-CE1 3.64Å; Y809-F852 HydrophobicContact CE2-CE1 3.64Å; Y809-F852 AromaticContact CE2-CZ 3.66Å; Y809-F852 HydrophobicContact CE2-CZ 3.66Å; Y809-F852 HydrophobicContact CG-CE1 4.3Å; Y809-F852 HydrophobicContact CG-CZ 4.44Å; Y809-L854 HydrophobicContact CD2-CD2 4.47Å; Y809-A856 WeakPolarHBondContact CE2-O 3.21Å
810N92.8Very high83Confident32 Ų3255.9 Ų55.917%0.17129%0.286CS..EExtended strand (participates in β ladder)trans-88.4141167.2-56.2-81.4000109.7Y756 V758 N759 Q760 I777 L778Y756-N810 HydrophobicContact CD1-CB 4.26Å; Y756-N810 HydrophobicContact CE1-CB 4.27Å; V758-N810 CarbonylContact O-C 3.58Å; V758-N810 WeakPolarHBondContact O-CA 3.33Å; N759-N810 VanDerWaalsContact CA-OD1 3.29Å; N759-N810 WeakPolarHBondContact CA-OD1 3.41Å; Q760-N810 PolarHBondContact N-OD1 3.42Å; I777-N810 CarbonylContact C-O 3.56Å; I777-N810 WeakPolarHBondContact CA-O 3.38Å; L778-N810 HydrophobicContact CB-CB 4.25Å; L778-N810 PolarHBondContact N-O 3.4Å; L778-N810 PolarHBondContact O-N 3.22Å
811V94.4Very high84.7Confident0 Ų048.8 Ų48.80%025%0.248CC..EExtended strand (participates in β ladder)trans-118.4116.3175.9-1770000109.3Y756 L757 V758 L775 F794 L854Y756-V811 CarbonylContact C-O 3.44Å; Y756-V811 WeakPolarHBondContact CA-O 3.36Å; L757-V811 PolarHBondContact N-O 2.96Å; V758-V811 HydrophobicContact CB-CB 4.33Å; V758-V811 HydrophobicContact CB-CG2 4.29Å; V758-V811 PolarHBondContact O-N 3.27Å; L775-V811 HydrophobicContact CB-CG1 4.43Å; L775-V811 HydrophobicContact CD2-CG1 3.88Å; F794-V811 HydrophobicContact CE2-CG1 3.96Å; F794-V811 HydrophobicContact CE2-CG2 4.36Å; F794-V811 HydrophobicContact CZ-CG1 4.19Å; V811-L854 HydrophobicContact CG2-CD1 4.03Å; V811-L854 HydrophobicContact CG2-CD2 3.66Å
812K94.1Very high86.3Confident52 Ų5245.6 Ų45.623%0.22623%0.231CC..EExtended strand (participates in β ladder)trans-120.7142.1-176173156.8150.7-1000110.8Y756 L775 E776 L778Y756-K812 HydrophobicContact CD1-CB 3.85Å; Y756-K812 HydrophobicContact CD1-CD 4.15Å; Y756-K812 HydrophobicContact CD1-CG 4.46Å; Y756-K812 HydrophobicContact CD2-CD 4.3Å; Y756-K812 HydrophobicContact CE1-CB 3.91Å; Y756-K812 HydrophobicContact CE1-CD 3.63Å; Y756-K812 HydrophobicContact CE1-CG 4.35Å; Y756-K812 HydrophobicContact CE2-CD 3.81Å; Y756-K812 HydrophobicContact CG-CB 4.45Å; Y756-K812 HydrophobicContact CG-CD 4.46Å; Y756-K812 VanDerWaalsContact CZ-CD 3.44Å; L775-K812 CarbonylContact C-O 3.42Å; L775-K812 VanDerWaalsContact CA-O 3.3Å; L775-K812 WeakPolarHBondContact CA-O 3.46Å; L775-K812 WeakPolarHBondContact CB-O 3.34Å; E776-K812 HydrophobicContact CG-CB 3.91Å; E776-K812 HydrophobicContact CG-CG 4.28Å; E776-K812 PolarHBondContact N-O 3.03Å; E776-K812 PolarHBondContact O-N 3.03Å; E776-K812 WeakPolarHBondContact OE1-CE 3.41Å; E776-K812 WeakPolarHBondContact OE1-CG 3.27Å; E776-K812 IonicContact OE1-NZ 3.67Å; E776-K812 PolarHBondContact OE1-NZ 3.27Å; L778-K812 HydrophobicContact CD1-CB 4.11Å; L778-K812 HydrophobicContact CD1-CD 4.24Å
813S94Very high87.8Confident0 Ų040.7 Ų40.70%020%0.201CC..EExtended strand (participates in β ladder)trans-89.4131.9179.448.90000111.7T752 G754 E755T752-S813 PolarHBondContact O-OG 3.36Å; G754-S813 PolarHBondContact N-O 3.17Å; E755-S813 PolarHBondContact N-OG 2.94Å; E755-S813 PolarHBondContact O-N 3.45Å; E755-S813 PolarHBondContact O-OG 2.96Å
814L92.7Very high89Confident80 Ų8035.7 Ų35.742%0.41918%0.175SC..SBendtrans-88.5-32.7177.1-70.2171.9000111.9S774 E776 L787S774-L814 WeakPolarHBondContact O-CB 3.31Å; S774-L814 PolarHBondContact O-N 3.18Å; E776-L814 HydrophobicContact CB-CD1 4.25Å; E776-L814 HydrophobicContact CB-CG 4.26Å; E776-L814 HydrophobicContact CG-CD2 4.21Å; E776-L814 HydrophobicContact CG-CG 4.27Å; L787-L814 HydrophobicContact CD2-CD1 3.7Å
815T92.1Very high89.5Confident56 Ų5636.4 Ų36.434%0.34418%0.179SC..SBendtrans-121.6178.4178.867.50000110.4G773 S774 C817G773-T815 WeakPolarHBondContact CA-OG1 3.47Å; S774-T815 PolarHBondContact N-OG1 3.34Å; S774-T815 PolarHBondContact O-N 2.81Å; T815-C817 PolarHBondContact O-N 3.27Å; T815-C817 PolarHBondContact O-SG 2.84Å
816Y89.8Confident89.8Confident141 Ų14142.4 Ų42.455%0.55321%0.205SC*.  trans-58.4123.5156.7-63.7-71000108.3F750 A751 T752 P753F750-Y816 HydrophobicContact CE1-CD1 4.09Å; F750-Y816 HydrophobicContact CE2-CD1 4.33Å; F750-Y816 AromaticContact CZ-CD1 3.46Å; F750-Y816 HydrophobicContact CZ-CD1 3.46Å; F750-Y816 VanDerWaalsContact CZ-CD1 3.46Å; F750-Y816 HydrophobicContact CZ-CE1 4.33Å; F750-Y816 HydrophobicContact CZ-CG 4.09Å; A751-Y816 WeakPolarHBondContact O-CA 3.46Å; T752-Y816 HydrophobicContact CG2-CD1 4.33Å; T752-Y816 HydrophobicContact CG2-CE1 4.1Å; P753-Y816 VanDerWaalsContact CD-CD1 3.41Å; P753-Y816 HydrophobicContact CG-CD1 4.28Å; P753-Y816 HydrophobicContact CG-CD2 4.23Å; P753-Y816 HydrophobicContact CG-CE1 4.23Å; P753-Y816 HydrophobicContact CG-CE2 4.16Å; P753-Y816 HydrophobicContact CG-CG 4.29Å
817C90.5Very high89.7Confident0 Ų044.7 Ų44.70%022%0.217CC..EExtended strand (participates in β ladder)trans-120.2133.3-177.2-61.10000110.6F750 A751 S772 S774 T815 L819F750-C817 WeakPolarHBondContact CA-O 3.48Å; F750-C817 WeakPolarHBondContact CD2-O 3.18Å; A751-C817 HydrophobicContact CB-CB 4.21Å; A751-C817 PolarHBondContact N-O 2.88Å; A751-C817 PolarHBondContact O-N 2.79Å; S772-C817 VanDerWaalsContact O-CA 3.32Å; S772-C817 WeakPolarHBondContact O-CA 3.41Å; S774-C817 PolarHBondContact N-SG 2.98Å; S774-C817 PolarHBondContact O-SG 2.85Å; T815-C817 PolarHBondContact O-N 3.27Å; T815-C817 PolarHBondContact O-SG 2.84Å; C817-L819 HydrophobicContact CB-CD2 4.45Å
818E90.6Very high89.7Confident92 Ų9244.9 Ų44.943%0.4322%0.218SC..EExtended strand (participates in β ladder)trans-104.3120.5170-174176.5-177.800108.5C771 S772C771-E818 HydrophobicContact CB-CB 4.42Å; C771-E818 HydrophobicContact CB-CG 4.34Å; C771-E818 WeakPolarHBondContact CB-O 3.37Å; C771-E818 PolarHBondContact N-O 3.34Å; S772-E818 PolarHBondContact N-O 2.76Å; S772-E818 PolarHBondContact O-N 3.41Å
819L91.5Very high89.6Confident0 Ų046.2 Ų46.20%022%0.222CC..EExtended strand (participates in β ladder)trans-119.8138-175.2-56.7179.3000109.6T748 R749 L757 Y768 F769 V770 L775 F794 C817T748-L819 WeakPolarHBondContact CA-O 3.27Å; R749-L819 HydrophobicContact CB-CB 4.38Å; R749-L819 PolarHBondContact N-O 3.34Å; R749-L819 PolarHBondContact O-N 3.11Å; R749-L819 VanDerWaalsContact O-O 3.12Å; L757-L819 HydrophobicContact CD1-CD1 3.66Å; L757-L819 HydrophobicContact CD2-CD1 3.97Å; L757-L819 HydrophobicContact CG-CD1 4.44Å; Y768-L819 HydrophobicContact CD1-CD1 4.25Å; F769-L819 WeakPolarHBondContact O-CA 3.31Å; V770-L819 HydrophobicContact CB-CD2 4.22Å; V770-L819 HydrophobicContact CG1-CD2 4.21Å; V770-L819 HydrophobicContact CG2-CD2 3.93Å; L775-L819 HydrophobicContact CD1-CD2 4.25Å; L775-L819 HydrophobicContact CD2-CD1 4.44Å; F794-L819 HydrophobicContact CE1-CD2 4.47Å; F794-L819 HydrophobicContact CZ-CD1 4.49Å; C817-L819 HydrophobicContact CB-CD2 4.45Å
820Q91.7Very high89.4Confident16 Ų1647.9 Ų47.98%0.07523%0.232CC..EExtended strand (participates in β ladder)trans-105.6131.2165.2-75.917215.800108I725 I746 T747 T748 F769 C771I725-Q820 HydrophobicContact CD1-CB 4.2Å; I746-Q820 HydrophobicContact CG2-CB 4.04Å; I746-Q820 HydrophobicContact CG2-CG 4.29Å; T747-Q820 CarbonylContact O-C 3.6Å; T747-Q820 WeakPolarHBondContact O-CA 3.32Å; T748-Q820 HydrophobicContact CG2-CG 3.92Å; F769-Q820 HydrophobicContact CD1-CB 4.48Å; F769-Q820 PolarHBondContact N-O 2.92Å; F769-Q820 PolarHBondContact O-N 2.93Å; C771-Q820 VanDerWaalsContact SG-CG 3.54Å
821C91.4Very high89.2Confident0 Ų046.9 Ų46.90%023%0.226CC..EExtended strand (participates in β ladder)trans-129138.5-177.152.10000112.3T747 R749 F766 I767 Y768T747-C821 PolarHBondContact N-O 3.02Å; T747-C821 PolarHBondContact O-N 3.32Å; T747-C821 PolarHBondContact OG1-O 3.17Å; T747-C821 VanDerWaalsContact OG1-O 3.08Å; T747-C821 PolarHBondContact OG1-SG 3.04Å; R749-C821 VanDerWaalsContact CD-SG 3.58Å; F766-C821 HydrophobicContact CB-CB 4.27Å; F766-C821 HydrophobicContact CD1-CB 4.25Å; I767-C821 VanDerWaalsContact O-CA 3.23Å; I767-C821 WeakPolarHBondContact O-CA 3.41Å; Y768-C821 HydrophobicContact CD1-CB 3.72Å; Y768-C821 HydrophobicContact CE1-CB 3.99Å; Y768-C821 HydrophobicContact CG-CB 4.43Å
822I90.8Very high88.9Confident9 Ų947.2 Ų47.25%0.04623%0.228CC..EExtended strand (participates in β ladder)trans-103.3124.7172.2-63172.5000106.9F731 I746 F766 I767 L828F731-I822 HydrophobicContact CE1-CD1 4.34Å; F731-I822 HydrophobicContact CZ-CD1 3.79Å; I746-I822 HydrophobicContact CD1-CD1 4.46Å; I746-I822 HydrophobicContact CG1-CD1 4.04Å; I746-I822 HydrophobicContact CG1-CG1 3.64Å; F766-I822 WeakPolarHBondContact CA-O 3.25Å; I767-I822 PolarHBondContact N-O 2.98Å; I767-I822 PolarHBondContact O-N 3.38Å; I822-L828 HydrophobicContact CG2-CD1 4.04Å; I822-L828 HydrophobicContact CG2-CD2 3.89Å
823A88.2Confident88.7Confident18 Ų1850.9 Ų50.915%0.14925%0.246CC..EExtended strand (participates in β ladder)trans-75134.217600000110.6F766 D825 L828F766-A823 HydrophobicContact CD1-CB 3.99Å; F766-A823 HydrophobicContact CE1-CB 3.68Å; A823-D825 HydrophobicContact CB-CB 4.27Å; A823-D825 WeakPolarHBondContact CB-OD2 3.46Å; A823-D825 PolarHBondContact O-N 3.2Å; A823-D825 VanDerWaalsContact O-N 3.11Å; A823-L828 WeakPolarHBondContact O-CB 3.24Å
824L84.7Confident88.5Confident36 Ų3656 Ų5619%0.18827%0.27CS..  trans-83.534.3173.8-61.3-178.9000111.7R765 I767 M798 L828R765-L824 PolarHBondContact O-N 3.4Å; I767-L824 HydrophobicContact CD1-CD2 3.9Å; I767-L824 HydrophobicContact CG1-CD1 4.33Å; I767-L824 HydrophobicContact CG1-CD2 4.05Å; I767-L824 HydrophobicContact CG1-CG 4.43Å; M798-L824 HydrophobicContact CE-CD2 4.19Å; M798-L824 HydrophobicContact SD-CD1 4.07Å; M798-L824 HydrophobicContact SD-CD2 3.71Å; L824-L828 HydrophobicContact CD2-CD2 3.72Å
825D80.6Confident88.4Confident86 Ų8655.5 Ų55.546%0.4626%0.263SS..SBendtrans-85.7171-178.3-69.4-31.6000111.8A823 Q827 L828 Q829A823-D825 HydrophobicContact CB-CB 4.27Å; A823-D825 WeakPolarHBondContact CB-OD2 3.46Å; A823-D825 PolarHBondContact O-N 3.2Å; A823-D825 VanDerWaalsContact O-N 3.11Å; D825-Q827 PolarHBondContact O-N 2.89Å; D825-L828 PolarHBondContact O-N 3.18Å; D825-Q829 PolarHBondContact O-N 3.23Å
826H82.1Confident88.3Confident135 Ų13556.5 Ų56.563%0.62527%0.27SS*.Hα-helixtrans-45.5-34.1174.7-176.1-67.7000113.9L828 Q829 E830H826-L828 PolarHBondContact O-N 3.18Å; H826-Q829 PolarHBondContact O-N 2.92Å; H826-E830 WeakPolarHBondContact O-CB 3.29Å; H826-E830 PolarHBondContact O-N 3.18Å
827Q84.6Confident88.2Confident124 Ų12457.6 Ų57.658%0.57928%0.28SS*.Hα-helixtrans-64.9-35.8-179.9-63.8-177.1-2.100113.1L745 D825 I831L745-Q827 HydrophobicContact CD1-CB 4.19Å; L745-Q827 HydrophobicContact CD2-CB 3.88Å; L745-Q827 VanDerWaalsContact CD2-OE1 3.3Å; D825-Q827 PolarHBondContact O-N 2.89Å; Q827-I831 WeakPolarHBondContact O-CG1 3.45Å; Q827-I831 PolarHBondContact O-N 3.2Å
828L87.5Confident88.2Confident4 Ų458 Ų582%0.02128%0.282CS..Hα-helixtrans-72.7-41.6174.8-177.968000110.5L742 L745 I822 A823 L824 D825 H826 E830 I831 F832L742-L828 HydrophobicContact CD2-CD1 3.74Å; L745-L828 HydrophobicContact CD1-CB 4.1Å; L745-L828 HydrophobicContact CD1-CD1 4.22Å; I822-L828 HydrophobicContact CG2-CD1 4.04Å; I822-L828 HydrophobicContact CG2-CD2 3.89Å; A823-L828 WeakPolarHBondContact O-CB 3.24Å; L824-L828 HydrophobicContact CD2-CD2 3.72Å; D825-L828 PolarHBondContact O-N 3.18Å; H826-L828 PolarHBondContact O-N 3.18Å; L828-E830 VanDerWaalsContact C-N 3.31Å; L828-E830 PolarHBondContact O-N 3.39Å; L828-I831 PolarHBondContact O-N 3.03Å; L828-F832 HydrophobicContact CD1-CE1 4.27Å; L828-F832 HydrophobicContact CD1-CE2 4.13Å; L828-F832 HydrophobicContact CD1-CZ 3.87Å; L828-F832 HydrophobicContact CD2-CE2 3.71Å; L828-F832 HydrophobicContact CD2-CZ 3.98Å; L828-F832 HydrophobicContact CG-CD2 4.07Å; L828-F832 HydrophobicContact CG-CE2 3.56Å; L828-F832 HydrophobicContact CG-CZ 3.83Å; L828-F832 WeakPolarHBondContact O-CG 3.2Å; L828-F832 PolarHBondContact O-N 3.41Å
829Q85.4Confident88.1Confident36 Ų3657.6 Ų57.617%0.16828%0.277CS..Hα-helixtrans-61.6-38.3176.317754.622.400112L801 D825 H826 F832 E833L801-Q829 HydrophobicContact CD2-CG 4.28Å; D825-Q829 PolarHBondContact O-N 3.23Å; H826-Q829 PolarHBondContact O-N 2.92Å; Q829-F832 CarbonylContact O-C 3.52Å; Q829-F832 WeakPolarHBondContact O-CB 3.27Å; Q829-F832 PolarHBondContact O-N 3.16Å; Q829-F832 VanDerWaalsContact O-N 3.15Å; Q829-E833 PolarHBondContact NE2-OE1 3.33Å; Q829-E833 WeakPolarHBondContact O-CG 3.47Å; Q829-E833 PolarHBondContact O-N 2.94Å
830E87.5Confident87.8Confident88 Ų8865.2 Ų65.241%0.41131%0.31SS..Hα-helixtrans-62.9-42.5173.7-165.9-169.3147.100111.8H826 L828 F832 E833 Q834H826-E830 WeakPolarHBondContact O-CB 3.29Å; H826-E830 PolarHBondContact O-N 3.18Å; L828-E830 VanDerWaalsContact C-N 3.31Å; L828-E830 PolarHBondContact O-N 3.39Å; E830-F832 VanDerWaalsContact C-N 3.3Å; E830-F832 PolarHBondContact O-N 3.36Å; E830-E833 PolarHBondContact O-N 2.96Å; E830-Q834 WeakPolarHBondContact O-CG 3.32Å; E830-Q834 PolarHBondContact O-N 3.3Å; E830-Q834 PolarHBondContact OE1-NE2 3.28Å; E830-Q834 VanDerWaalsContact OE1-NE2 3.09Å
831I89Confident87.6Confident12 Ų1268.9 Ų68.96%0.06233%0.327CS..Hα-helixtrans-62-39.4172.5-66.7176.3000110.7C741 L742 L745 Q827 L828 E833 Q834 Y835C741-I831 HydrophobicContact CB-CD1 3.63Å; C741-I831 HydrophobicContact CB-CG1 4.18Å; L742-I831 HydrophobicContact CD2-CD1 4.22Å; L742-I831 HydrophobicContact CD2-CG2 4.06Å; L742-I831 HydrophobicContact CG-CG2 4.32Å; L745-I831 HydrophobicContact CD1-CD1 3.53Å; L745-I831 HydrophobicContact CG-CD1 4.01Å; Q827-I831 WeakPolarHBondContact O-CG1 3.45Å; Q827-I831 PolarHBondContact O-N 3.2Å; L828-I831 PolarHBondContact O-N 3.03Å; I831-E833 VanDerWaalsContact C-N 3.32Å; I831-E833 PolarHBondContact O-N 3.17Å; I831-Q834 PolarHBondContact O-N 3.41Å; I831-Y835 HydrophobicContact CG2-CD2 3.98Å; I831-Y835 WeakPolarHBondContact O-CD2 3.37Å; I831-Y835 PolarHBondContact O-N 2.8Å
832F89.1Confident87.5Confident6 Ų669.1 Ų69.13%0.02633%0.328CS..Hα-helixtrans-68.5-27.8176.8-71.8-29.1000113.8M798 L828 Q829 E830 Y835 P836 F838 R839 F842M798-F832 HydrophobicContact CE-CE2 4.46Å; L828-F832 HydrophobicContact CD1-CE1 4.27Å; L828-F832 HydrophobicContact CD1-CE2 4.13Å; L828-F832 HydrophobicContact CD1-CZ 3.87Å; L828-F832 HydrophobicContact CD2-CE2 3.71Å; L828-F832 HydrophobicContact CD2-CZ 3.98Å; L828-F832 HydrophobicContact CG-CD2 4.07Å; L828-F832 HydrophobicContact CG-CE2 3.56Å; L828-F832 HydrophobicContact CG-CZ 3.83Å; L828-F832 WeakPolarHBondContact O-CG 3.2Å; L828-F832 PolarHBondContact O-N 3.41Å; Q829-F832 CarbonylContact O-C 3.52Å; Q829-F832 WeakPolarHBondContact O-CB 3.27Å; Q829-F832 PolarHBondContact O-N 3.16Å; Q829-F832 VanDerWaalsContact O-N 3.15Å; E830-F832 VanDerWaalsContact C-N 3.3Å; E830-F832 PolarHBondContact O-N 3.36Å; F832-Y835 CarbonylContact O-C 3.58Å; F832-P836 WeakPolarHBondContact O-CA 3.05Å; F832-F838 HydrophobicContact CD1-CD1 4.38Å; F832-F838 HydrophobicContact CE1-CD1 4.18Å; F832-F838 HydrophobicContact CE1-CE1 4.05Å; F832-R839 HydrophobicContact CB-CB 3.86Å; F832-R839 HydrophobicContact CB-CG 3.77Å; F832-R839 HydrophobicContact CD1-CB 3.93Å; F832-R839 HydrophobicContact CD1-CG 4.15Å; F832-R839 HydrophobicContact CD2-CG 4.24Å; F832-R839 HydrophobicContact CG-CB 4.01Å; F832-R839 HydrophobicContact CG-CG 3.83Å; F832-F842 HydrophobicContact CE1-CB 4.28Å; F832-F842 AromaticContact CE1-CD1 3.98Å; F832-F842 HydrophobicContact CE1-CD1 3.98Å; F832-F842 HydrophobicContact CE1-CG 4.14Å; F832-F842 HydrophobicContact CE2-CD1 4.49Å; F832-F842 AromaticContact CZ-CD1 3.49Å; F832-F842 HydrophobicContact CZ-CD1 3.49Å; F832-F842 VanDerWaalsContact CZ-CD1 3.49Å; F832-F842 AromaticContact CZ-CE1 3.82Å; F832-F842 HydrophobicContact CZ-CE1 3.82Å; F832-F842 HydrophobicContact CZ-CG 4.11Å
833E88.9Confident87.2Confident130 Ų13070.3 Ų70.361%0.60734%0.339SS*.Hα-helixtrans-76.4-35.6171.2-74.3172.8-159.100112.4Q829 E830 I831Q829-E833 PolarHBondContact NE2-OE1 3.33Å; Q829-E833 WeakPolarHBondContact O-CG 3.47Å; Q829-E833 PolarHBondContact O-N 2.94Å; E830-E833 PolarHBondContact O-N 2.96Å; I831-E833 VanDerWaalsContact C-N 3.32Å; I831-E833 PolarHBondContact O-N 3.17Å
834Q89.6Confident87Confident108 Ų10874.9 Ų74.951%0.50536%0.36SS..Hα-helixtrans-70.7-32.7172.5-68177.628.600112.8E830 I831 P836E830-Q834 WeakPolarHBondContact O-CG 3.32Å; E830-Q834 PolarHBondContact O-N 3.3Å; E830-Q834 PolarHBondContact OE1-NE2 3.28Å; E830-Q834 VanDerWaalsContact OE1-NE2 3.09Å; I831-Q834 PolarHBondContact O-N 3.41Å; Q834-P836 VanDerWaalsContact C-CD 3.46Å; Q834-P836 WeakPolarHBondContact O-CD 3.42Å
835Y91.3Very high87.1Confident68 Ų6874.5 Ų74.527%0.26736%0.361SS..  trans-124.364.7-178.1-61-84.8000112.3C738 I831 F832 Q837 F838 R839C738-Y835 HydrophobicContact CB-CD1 3.93Å; C738-Y835 HydrophobicContact CB-CD2 4.05Å; C738-Y835 HydrophobicContact CB-CE1 3.88Å; C738-Y835 HydrophobicContact CB-CE2 4.01Å; C738-Y835 HydrophobicContact CB-CG 4.01Å; I831-Y835 HydrophobicContact CG2-CD2 3.98Å; I831-Y835 WeakPolarHBondContact O-CD2 3.37Å; I831-Y835 PolarHBondContact O-N 2.8Å; F832-Y835 CarbonylContact O-C 3.58Å; Y835-Q837 VanDerWaalsContact C-N 3.27Å; Y835-Q837 PolarHBondContact O-N 3.44Å; Y835-F838 WeakPolarHBondContact O-CA 3.31Å; Y835-F838 WeakPolarHBondContact O-CB 3.33Å; Y835-F838 PolarHBondContact O-N 3.46Å; Y835-R839 PolarHBondContact O-N 3.32Å
836P88.8Confident87.4Confident77 Ų7770.4 Ų70.450%0.534%0.339SS..Hα-helixtrans-66.9-23.2-171.726.8-35.9000114.2F832 Q834 K840F832-P836 WeakPolarHBondContact O-CA 3.05Å; Q834-P836 VanDerWaalsContact C-CD 3.46Å; Q834-P836 WeakPolarHBondContact O-CD 3.42Å; P836-K840 PolarHBondContact O-N 2.96Å
837Q88.7Confident87.3Confident164 Ų16466.6 Ų66.677%0.76633%0.328SS*.Hα-helixtrans-67.1-41.6170.4-68.7-179.5-11.400111.4Y835 Q841Y835-Q837 VanDerWaalsContact C-N 3.27Å; Y835-Q837 PolarHBondContact O-N 3.44Å; Q837-Q841 PolarHBondContact O-N 3.47Å
838F90.3Very high87.3Confident9 Ų968.3 Ų68.34%0.03934%0.335CS..Hα-helixtrans-69.4-40.5176.6178.9-108.6000111.3L730 F731 S733 A734 L742 F832 Y835 K840 Q841 F842L730-F838 WeakPolarHBondContact O-CE2 3.5Å; F731-F838 HydrophobicContact CD1-CZ 4.17Å; S733-F838 WeakPolarHBondContact OG-CE2 3.49Å; A734-F838 HydrophobicContact CB-CD2 3.86Å; A734-F838 HydrophobicContact CB-CE2 3.62Å; A734-F838 HydrophobicContact CB-CG 4.5Å; A734-F838 HydrophobicContact CB-CZ 4.05Å; L742-F838 HydrophobicContact CD1-CD1 4.34Å; L742-F838 HydrophobicContact CD1-CE1 3.53Å; L742-F838 HydrophobicContact CD1-CZ 3.87Å; F832-F838 HydrophobicContact CD1-CD1 4.38Å; F832-F838 HydrophobicContact CE1-CD1 4.18Å; F832-F838 HydrophobicContact CE1-CE1 4.05Å; Y835-F838 WeakPolarHBondContact O-CA 3.31Å; Y835-F838 WeakPolarHBondContact O-CB 3.33Å; Y835-F838 PolarHBondContact O-N 3.46Å; F838-K840 VanDerWaalsContact C-N 3.31Å; F838-K840 PolarHBondContact O-N 3.44Å; F838-Q841 PolarHBondContact O-N 3.43Å; F838-Q841 VanDerWaalsContact O-N 3.11Å; F838-F842 HydrophobicContact CD1-CB 4.49Å; F838-F842 HydrophobicContact CE1-CB 4.04Å; F838-F842 HydrophobicContact CE1-CD2 4.05Å; F838-F842 HydrophobicContact CE1-CG 4.23Å; F838-F842 HydrophobicContact CE2-CB 4.32Å; F838-F842 HydrophobicContact CE2-CD2 4.47Å; F838-F842 HydrophobicContact CZ-CB 3.95Å; F838-F842 AromaticContact CZ-CD2 3.63Å; F838-F842 HydrophobicContact CZ-CD2 3.63Å; F838-F842 HydrophobicContact CZ-CG 4.13Å; F838-F842 WeakPolarHBondContact O-CB 3.38Å; F838-F842 PolarHBondContact O-N 3.01Å
839R88.7Confident87.1Confident84 Ų8471 Ų7132%0.31735%0.348SS..Hα-helixtrans-48.8-50.8175.1-176.4-170.5177165.6-5.2112.1F832 Y835 Q841 F842 A843F832-R839 HydrophobicContact CB-CB 3.86Å; F832-R839 HydrophobicContact CB-CG 3.77Å; F832-R839 HydrophobicContact CD1-CB 3.93Å; F832-R839 HydrophobicContact CD1-CG 4.15Å; F832-R839 HydrophobicContact CD2-CG 4.24Å; F832-R839 HydrophobicContact CG-CB 4.01Å; F832-R839 HydrophobicContact CG-CG 3.83Å; Y835-R839 PolarHBondContact O-N 3.32Å; R839-Q841 PolarHBondContact O-N 3.14Å; R839-F842 PolarHBondContact O-N 3.34Å; R839-A843 WeakPolarHBondContact O-CB 3.36Å; R839-A843 PolarHBondContact O-N 3.39Å
840K85.8Confident87.1Confident159 Ų15970.7 Ų70.769%0.69135%0.347SS*.Hα-helixtrans-64.6-39.1-178.9-68.8-168.3175.8-1640112.8P836 F838 L844P836-K840 PolarHBondContact O-N 2.96Å; F838-K840 VanDerWaalsContact C-N 3.31Å; F838-K840 PolarHBondContact O-N 3.44Å; K840-L844 WeakPolarHBondContact O-CG 3.36Å; K840-L844 PolarHBondContact O-N 3.43Å
841Q86.9Confident87.1Confident94 Ų9469.1 Ų69.144%0.43935%0.346SS..Hα-helixtrans-71.9-40.3178.5-69.6171.7-19.600111.4S733 Q837 F838 R839 L844 S845S733-Q841 VanDerWaalsContact CB-OE1 3.3Å; Q837-Q841 PolarHBondContact O-N 3.47Å; F838-Q841 PolarHBondContact O-N 3.43Å; F838-Q841 VanDerWaalsContact O-N 3.11Å; R839-Q841 PolarHBondContact O-N 3.14Å; Q841-L844 PolarHBondContact O-N 2.84Å; Q841-S845 WeakPolarHBondContact O-CB 3.41Å; Q841-S845 PolarHBondContact O-N 2.8Å; Q841-S845 PolarHBondContact O-OG 2.74Å; Q841-S845 VanDerWaalsContact O-OG 3.11Å
842F88.3Confident87.1Confident5 Ų570.6 Ų70.62%0.02235%0.352CS..Hα-helixtrans-63.5-42176.5-175.2-93.1000112.1L730 F731 I767 F832 F838 R839 L844 S845 I846L730-F842 HydrophobicContact CB-CD2 4.47Å; L730-F842 HydrophobicContact CB-CE2 4.31Å; L730-F842 HydrophobicContact CD1-CE2 4.36Å; F731-F842 HydrophobicContact CE1-CD2 4.48Å; F731-F842 AromaticContact CE1-CE2 3.94Å; F731-F842 HydrophobicContact CE1-CE2 3.94Å; F731-F842 HydrophobicContact CZ-CE2 4.08Å; I767-F842 HydrophobicContact CD1-CE1 4.39Å; I767-F842 HydrophobicContact CD1-CZ 4.42Å; F832-F842 HydrophobicContact CE1-CB 4.28Å; F832-F842 AromaticContact CE1-CD1 3.98Å; F832-F842 HydrophobicContact CE1-CD1 3.98Å; F832-F842 HydrophobicContact CE1-CG 4.14Å; F832-F842 HydrophobicContact CE2-CD1 4.49Å; F832-F842 AromaticContact CZ-CD1 3.49Å; F832-F842 HydrophobicContact CZ-CD1 3.49Å; F832-F842 VanDerWaalsContact CZ-CD1 3.49Å; F832-F842 AromaticContact CZ-CE1 3.82Å; F832-F842 HydrophobicContact CZ-CE1 3.82Å; F832-F842 HydrophobicContact CZ-CG 4.11Å; F838-F842 HydrophobicContact CD1-CB 4.49Å; F838-F842 HydrophobicContact CE1-CB 4.04Å; F838-F842 HydrophobicContact CE1-CD2 4.05Å; F838-F842 HydrophobicContact CE1-CG 4.23Å; F838-F842 HydrophobicContact CE2-CB 4.32Å; F838-F842 HydrophobicContact CE2-CD2 4.47Å; F838-F842 HydrophobicContact CZ-CB 3.95Å; F838-F842 AromaticContact CZ-CD2 3.63Å; F838-F842 HydrophobicContact CZ-CD2 3.63Å; F838-F842 HydrophobicContact CZ-CG 4.13Å; F838-F842 WeakPolarHBondContact O-CB 3.38Å; F838-F842 PolarHBondContact O-N 3.01Å; R839-F842 PolarHBondContact O-N 3.34Å; F842-L844 VanDerWaalsContact C-N 3.33Å; F842-L844 PolarHBondContact O-N 2.92Å; F842-S845 PolarHBondContact O-N 3.35Å; F842-I846 HydrophobicContact CE1-CB 4.41Å; F842-I846 HydrophobicContact CZ-CD1 4.4Å; F842-I846 WeakPolarHBondContact O-CB 3.32Å; F842-I846 WeakPolarHBondContact O-CG2 3.39Å; F842-I846 PolarHBondContact O-N 3.27Å
843A85.3Confident87.1Confident34 Ų3472.5 Ų72.528%0.28136%0.363SS..Hα-helixtrans-63.1-36.117600000113.1R839 S847R839-A843 WeakPolarHBondContact O-CB 3.36Å; R839-A843 PolarHBondContact O-N 3.39Å; A843-S847 PolarHBondContact O-OG 3.15Å
844L85.1Confident87Confident113 Ų11366.3 Ų66.359%0.59233%0.334SS*.Hα-helixtrans-75.2-37.7174.4-69.1170.4000112.5K840 Q841 F842 S847 E848K840-L844 WeakPolarHBondContact O-CG 3.36Å; K840-L844 PolarHBondContact O-N 3.43Å; Q841-L844 PolarHBondContact O-N 2.84Å; F842-L844 VanDerWaalsContact C-N 3.33Å; F842-L844 PolarHBondContact O-N 2.92Å; L844-S847 PolarHBondContact O-OG 3.13Å; L844-S847 VanDerWaalsContact O-OG 3.05Å; L844-E848 WeakPolarHBondContact O-CG 3.22Å; L844-E848 PolarHBondContact O-N 2.67Å
845S85.8Confident86.7Confident29 Ų2964.9 Ų64.920%0.20333%0.326CS..Hα-helixtrans-78-25.9179.9-59.60000113.5L730 Q841 F842 E849L730-S845 VanDerWaalsContact CD2-C 3.48Å; L730-S845 VanDerWaalsContact CD2-O 3.26Å; L730-S845 WeakPolarHBondContact CD2-O 3.47Å; Q841-S845 WeakPolarHBondContact O-CB 3.41Å; Q841-S845 PolarHBondContact O-N 2.8Å; Q841-S845 PolarHBondContact O-OG 2.74Å; Q841-S845 VanDerWaalsContact O-OG 3.11Å; F842-S845 PolarHBondContact O-N 3.35Å; S845-E849 WeakPolarHBondContact O-CB 3.45Å; S845-E849 PolarHBondContact O-N 3.03Å
846I86.1Confident86Confident0 Ų064.1 Ų64.10%033%0.334CS..Hα-helixtrans-73.2-40.9177.8-162.266.7000111.2L730 I767 I793 M798 F842 E848 E849 L850L730-I846 HydrophobicContact CD1-CD1 3.82Å; L730-I846 HydrophobicContact CD2-CB 4.48Å; L730-I846 HydrophobicContact CD2-CD1 4.15Å; I767-I846 HydrophobicContact CD1-CD1 4.32Å; I767-I846 HydrophobicContact CD1-CG1 4.19Å; I767-I846 HydrophobicContact CG2-CD1 4.28Å; I793-I846 HydrophobicContact CG2-CD1 4.22Å; M798-I846 HydrophobicContact CB-CG2 4.3Å; M798-I846 HydrophobicContact CG-CG2 4.24Å; F842-I846 HydrophobicContact CE1-CB 4.41Å; F842-I846 HydrophobicContact CZ-CD1 4.4Å; F842-I846 WeakPolarHBondContact O-CB 3.32Å; F842-I846 WeakPolarHBondContact O-CG2 3.39Å; F842-I846 PolarHBondContact O-N 3.27Å; I846-E848 VanDerWaalsContact C-N 3.28Å; I846-E848 PolarHBondContact O-N 2.6Å; I846-E849 PolarHBondContact O-N 3.45Å; I846-L850 WeakPolarHBondContact O-CB 3.09Å; I846-L850 PolarHBondContact O-N 2.87Å
847S81.6Confident84.9Confident55 Ų5563.5 Ų63.539%0.38534%0.342SS..Hα-helixtrans-64.8-30.8174.755.50000112.8D797 A843 L844D797-S847 WeakPolarHBondContact OD2-CA 3.4Å; D797-S847 WeakPolarHBondContact OD2-CB 3.33Å; A843-S847 PolarHBondContact O-OG 3.15Å; L844-S847 PolarHBondContact O-OG 3.13Å; L844-S847 VanDerWaalsContact O-OG 3.05Å
848E83.2Confident84Confident159 Ų15959 Ų5974%0.74332%0.32SS*.Hα-helixtrans-77.8-34173.6-72.6178.5179.800114.6L844 I846L844-E848 WeakPolarHBondContact O-CG 3.22Å; L844-E848 PolarHBondContact O-N 2.67Å; I846-E848 VanDerWaalsContact C-N 3.28Å; I846-E848 PolarHBondContact O-N 2.6Å
849E83.6Confident82.7Confident62 Ų6263.9 Ų63.929%0.2935%0.346SS..Hα-helixtrans-102.50.4-175.1-63-164.7152.300114.8S729 L730 I793 S845 I846 S851S729-E849 WeakPolarHBondContact CB-OE1 3.27Å; S729-E849 PolarHBondContact OG-OE1 3.31Å; L730-E849 HydrophobicContact CD2-CB 4.11Å; L730-E849 HydrophobicContact CD2-CG 4.33Å; L730-E849 WeakPolarHBondContact CD2-OE2 3.37Å; L730-E849 VanDerWaalsContact CG-OE2 3.3Å; L730-E849 WeakPolarHBondContact CG-OE2 3.44Å; L730-E849 PolarHBondContact N-OE2 3.46Å; I793-E849 HydrophobicContact CD1-CB 4.14Å; S845-E849 WeakPolarHBondContact O-CB 3.45Å; S845-E849 PolarHBondContact O-N 3.03Å; I846-E849 PolarHBondContact O-N 3.45Å; E849-S851 PolarHBondContact O-N 3.19Å
850L85.3Confident81.4Confident28 Ų2864.8 Ų64.815%0.14736%0.363CS..  trans-75.8103.3-177.9-177.562.7000112.6I793 I846 F852 N853I793-L850 HydrophobicContact CG2-CD1 3.96Å; I846-L850 WeakPolarHBondContact O-CB 3.09Å; I846-L850 PolarHBondContact O-N 2.87Å; L850-F852 VanDerWaalsContact C-N 3.25Å; L850-F852 WeakPolarHBondContact CD1-O 3.28Å; L850-F852 PolarHBondContact O-N 3.39Å; L850-N853 HydrophobicContact CD2-CB 3.69Å; L850-N853 HydrophobicContact CG-CB 4.45Å
851S87.8Confident79.7Confident56 Ų5664.5 Ų64.539%0.39237%0.369SS..SBendtrans-57.9-32.5178.7-510000113.9D792 I793 E849D792-S851 WeakPolarHBondContact CA-OG 3.41Å; D792-S851 WeakPolarHBondContact CB-OG 3.39Å; D792-S851 VanDerWaalsContact OD1-CB 3.29Å; D792-S851 WeakPolarHBondContact OD1-CB 3.45Å; D792-S851 PolarHBondContact OD1-OG 3.39Å; I793-S851 PolarHBondContact N-OG 2.94Å; I793-S851 VanDerWaalsContact N-OG 3.17Å; I793-S851 WeakPolarHBondContact O-CA 3.47Å; I793-S851 VanDerWaalsContact O-CB 3.24Å; I793-S851 WeakPolarHBondContact O-CB 3.2Å; I793-S851 PolarHBondContact O-N 3.48Å; E849-S851 PolarHBondContact O-N 3.19Å
852F88.7Confident78Confident42 Ų4263 Ų6318%0.18437%0.369CS..EExtended strand (participates in β ladder)trans-152.8128.9173.7-161.9-81.3000113I777 V785 L788 I793 F794 G795 Y809 L850 L854I777-F852 HydrophobicContact CD1-CB 3.78Å; I777-F852 HydrophobicContact CD1-CD1 3.54Å; I777-F852 HydrophobicContact CD1-CD2 3.59Å; I777-F852 HydrophobicContact CD1-CE1 3.97Å; I777-F852 HydrophobicContact CD1-CE2 4Å; I777-F852 HydrophobicContact CD1-CG 3.32Å; I777-F852 HydrophobicContact CD1-CZ 4.18Å; I777-F852 HydrophobicContact CG2-CE1 4.06Å; I777-F852 HydrophobicContact CG2-CZ 4.07Å; V785-F852 HydrophobicContact CG1-CE2 4.04Å; V785-F852 HydrophobicContact CG1-CZ 3.96Å; L788-F852 HydrophobicContact CD2-CB 4.14Å; I793-F852 PolarHBondContact O-N 2.8Å; F794-F852 WeakPolarHBondContact CA-O 3.43Å; F794-F852 HydrophobicContact CB-CB 4.47Å; G795-F852 PolarHBondContact N-O 2.89Å; Y809-F852 AromaticContact CD2-CE1 3.53Å; Y809-F852 HydrophobicContact CD2-CE1 3.53Å; Y809-F852 AromaticContact CD2-CZ 3.87Å; Y809-F852 HydrophobicContact CD2-CZ 3.87Å; Y809-F852 AromaticContact CE2-CE1 3.64Å; Y809-F852 HydrophobicContact CE2-CE1 3.64Å; Y809-F852 AromaticContact CE2-CZ 3.66Å; Y809-F852 HydrophobicContact CE2-CZ 3.66Å; Y809-F852 HydrophobicContact CG-CE1 4.3Å; Y809-F852 HydrophobicContact CG-CZ 4.44Å; L850-F852 VanDerWaalsContact C-N 3.25Å; L850-F852 WeakPolarHBondContact CD1-O 3.28Å; L850-F852 PolarHBondContact O-N 3.39Å; F852-L854 HydrophobicContact CD1-CD2 3.93Å; F852-L854 HydrophobicContact CD1-CG 4.5Å; F852-L854 HydrophobicContact CE1-CD2 4.06Å
853N88.6Confident75.5Confident46 Ų4668.6 Ų68.625%0.24641%0.409CS..EExtended strand (participates in β ladder)trans-97.6106178.6-171.8-9.8000111.1G795 L850 K855 A856G795-N853 CarbonylContact O-C 3.56Å; G795-N853 WeakPolarHBondContact O-CA 3.36Å; L850-N853 HydrophobicContact CD2-CB 3.69Å; L850-N853 HydrophobicContact CG-CB 4.45Å; N853-K855 PolarHBondContact O-N 3.44Å; N853-K855 WeakPolarHBondContact OD1-CB 3.48Å; N853-K855 PolarHBondContact OD1-N 3.13Å; N853-K855 VanDerWaalsContact OD1-N 3.1Å; N853-A856 HydrophobicContact CB-CB 4.27Å; N853-A856 PolarHBondContact O-N 2.93Å
854L87.4Confident73.3Confident0 Ų072.5 Ų72.50%042%0.424CS..THydrogen-bonded Turntrans-69.3-16.2-179.3-66.1177.6000114V758 L764 F794 G795 S807 A808 Y809 V811 F852V758-L854 HydrophobicContact CG1-CD1 4.36Å; L764-L854 HydrophobicContact CD1-CB 3.81Å; L764-L854 HydrophobicContact CD2-CB 3.8Å; L764-L854 HydrophobicContact CD2-CD1 3.68Å; L764-L854 HydrophobicContact CD2-CG 4.42Å; L764-L854 HydrophobicContact CG-CB 4.49Å; F794-L854 HydrophobicContact CD2-CD1 3.97Å; F794-L854 HydrophobicContact CE2-CD1 4.5Å; G795-L854 PolarHBondContact O-N 3.42Å; S807-L854 WeakPolarHBondContact CA-O 3.47Å; A808-L854 PolarHBondContact N-O 3.41Å; Y809-L854 HydrophobicContact CD2-CD2 4.47Å; V811-L854 HydrophobicContact CG2-CD1 4.03Å; V811-L854 HydrophobicContact CG2-CD2 3.66Å; F852-L854 HydrophobicContact CD1-CD2 3.93Å; F852-L854 HydrophobicContact CD1-CG 4.5Å; F852-L854 HydrophobicContact CE1-CD2 4.06Å
855K84Confident71Confident78 Ų7874.9 Ų74.934%0.33943%0.432SS..THydrogen-bonded Turntrans-81.7-23.8176.9-172.6-173.4174.9-172.70111.9L764 N853 G857 F858L764-K855 HydrophobicContact CD1-CB 4.04Å; N853-K855 PolarHBondContact O-N 3.44Å; N853-K855 WeakPolarHBondContact OD1-CB 3.48Å; N853-K855 PolarHBondContact OD1-N 3.13Å; N853-K855 VanDerWaalsContact OD1-N 3.1Å; K855-G857 PolarHBondContact O-N 3.23Å; K855-F858 PolarHBondContact O-N 2.98Å
856A75.3Confident68.6Low52 Ų5280.6 Ų80.643%0.4346%0.46SS..THydrogen-bonded Turntrans-70.4127.5-179.500000110Y809 N853Y809-A856 WeakPolarHBondContact CE2-O 3.21Å; N853-A856 HydrophobicContact CB-CB 4.27Å; N853-A856 PolarHBondContact O-N 2.93Å
857G67Low66.1Low65 Ų6586.4 Ų86.467%0.6749%0.49SS*.THydrogen-bonded Turntrans92.10.4-175.700000115.4K855 D859K855-G857 PolarHBondContact O-N 3.23Å; G857-D859 PolarHBondContact O-N 3.47Å
858F70.3Confident63.7Low69 Ų6988.6 Ų88.630%0.30350%0.503SS..  trans-82.797.9169.7-173.8-90.2000110F806 A808 K855 P860F806-F858 HydrophobicContact CB-CD1 4.26Å; F806-F858 HydrophobicContact CB-CD2 3.79Å; F806-F858 HydrophobicContact CB-CE1 4.08Å; F806-F858 HydrophobicContact CB-CE2 3.58Å; F806-F858 HydrophobicContact CB-CG 4.13Å; F806-F858 HydrophobicContact CB-CZ 3.74Å; F806-F858 HydrophobicContact CD2-CD1 4.47Å; F806-F858 AromaticContact CD2-CE1 3.74Å; F806-F858 HydrophobicContact CD2-CE1 3.74Å; F806-F858 HydrophobicContact CD2-CE2 4.44Å; F806-F858 AromaticContact CD2-CZ 3.72Å; F806-F858 HydrophobicContact CD2-CZ 3.72Å; F806-F858 HydrophobicContact CG-CE1 4.31Å; F806-F858 HydrophobicContact CG-CE2 4.25Å; F806-F858 AromaticContact CG-CZ 3.97Å; F806-F858 HydrophobicContact CG-CZ 3.97Å; A808-F858 HydrophobicContact CB-CB 4.15Å; K855-F858 PolarHBondContact O-N 2.98Å; F858-P860 HydrophobicContact CE1-CB 4.4Å; F858-P860 WeakPolarHBondContact O-CD 3.22Å
859D62.7Low61.2Low112 Ų11285.5 Ų85.560%0.59950%0.504SS*.  trans-81.6114.5172.1-93.1-35.7000110.5G857 N861 S862G857-D859 PolarHBondContact O-N 3.47Å; D859-N861 PolarHBondContact O-N 3.3Å; D859-S862 PolarHBondContact O-N 2.95Å; D859-S862 VanDerWaalsContact O-N 3.09Å; D859-S862 PolarHBondContact O-OG 3.14Å; D859-S862 VanDerWaalsContact O-OG 3.05Å
860P60.3Low58.6Low103 Ų10389.5 Ų89.567%0.66953%0.526SS*.THydrogen-bonded Turntrans-69.2-4.3179.930.9-37.1000113.8F858F858-P860 HydrophobicContact CE1-CB 4.4Å; F858-P860 WeakPolarHBondContact O-CD 3.22Å
861N50.5Low56Low152 Ų15294.6 Ų94.681%0.81356%0.558SS**THydrogen-bonded Turntrans-100.4-4176.8-63.4-23.9000112.8D859 S863D859-N861 PolarHBondContact O-N 3.3Å; N861-S863 PolarHBondContact O-N 2.93Å
862S50.7Low53.1Low63 Ų6396.8 Ų96.844%0.44157%0.569SS.*SBendtrans-73.4126.1172.769.50000109.2D859 L864D859-S862 PolarHBondContact O-N 2.95Å; D859-S862 VanDerWaalsContact O-N 3.09Å; D859-S862 PolarHBondContact O-OG 3.14Å; D859-S862 VanDerWaalsContact O-OG 3.05Å; S862-L864 VanDerWaalsContact C-N 3.26Å; S862-L864 PolarHBondContact O-N 3.38Å
863S36.2Very low50.4Low123 Ų123102 Ų10286%0.8660%0.597SS**  trans-81.966.4-17160.70000112.3N861N861-S863 PolarHBondContact O-N 2.93Å
864L39.8Very low47.5Very low115 Ų115104.1 Ų104.160%0.60261%0.612SS**  trans-84.7127.6155.5-84.777.3000108.4S862 L866S862-L864 VanDerWaalsContact C-N 3.26Å; S862-L864 PolarHBondContact O-N 3.38Å; L864-L866 PolarHBondContact O-N 3.24Å
865E35.3Very low44.8Very low163 Ų163111.6 Ų111.676%0.76265%0.652SS**  trans-59.8130.3167.9-63.6-174.9138.300109.1I867E865-I867 HydrophobicContact CB-CD1 4.18Å; E865-I867 HydrophobicContact CB-CG1 3.98Å; E865-I867 PolarHBondContact O-N 3.45Å
866L36.1Very low42.3Very low149 Ų149115.9 Ų115.978%0.7867%0.67SS**  trans-77.751.3-173.5-154.886.5000112.2L864 P868L864-L866 PolarHBondContact O-N 3.24Å; L866-P868 WeakPolarHBondContact O-CD 3.42Å
867I34.3Very low40Very low123 Ų123120.9 Ų120.963%0.63169%0.69SS**  trans-65.5119.4-177.4-61169.6000108.6E865 A869E865-I867 HydrophobicContact CB-CD1 4.18Å; E865-I867 HydrophobicContact CB-CG1 3.98Å; E865-I867 PolarHBondContact O-N 3.45Å; I867-A869 PolarHBondContact O-N 3.06Å
868P31.6Very low38.4Very low101 Ų101123.8 Ų123.866%0.65669%0.689SS**  trans-66.3122.8178.626.8-33.4000109.8L866 I870L866-P868 WeakPolarHBondContact O-CD 3.42Å; P868-I870 VanDerWaalsContact C-N 3.29Å; P868-I870 PolarHBondContact O-N 3.4Å
869A30Very low36.3Very low93 Ų93127.4 Ų127.477%0.76971%0.712SS**SBendtrans-67.676.3-172.100000113.8I867I867-A869 PolarHBondContact O-N 3.06Å
870I29.4Very low34.7Very low147 Ų147131.4 Ų131.475%0.75472%0.724SS**  trans-131.961176.2-44-179000110.7P868P868-I870 VanDerWaalsContact C-N 3.29Å; P868-I870 PolarHBondContact O-N 3.4Å
871T29.5Very low33.1Very low134 Ų134133.3 Ų133.382%0.82273%0.729SS**  trans-154.7150.5157.23.80000112.6
872V27.5Very low32.1Very low102 Ų102132.7 Ų132.762%0.61873%0.725SS**  trans-85.5109.4172177.50000108.2T874V872-T874 HydrophobicContact CG1-CG2 4.08Å
873I31.4Very low31.1Very low152 Ų152138 Ų13878%0.77974%0.743SS**  trans-83.9123166.4-59.3-179.8000107.9
874T29Very low30.8Very low91 Ų91137.1 Ų137.156%0.55874%0.737SS**  trans-106.5121.5170.356.60000108.9V872 K876V872-T874 HydrophobicContact CG1-CG2 4.08Å; T874-K876 PolarHBondContact O-N 2.94Å; T874-K876 VanDerWaalsContact O-N 3.16Å
875D29.3Very low30.1Very low156 Ų156138.4 Ų138.483%0.83474%0.744SS**  trans-57.3120.5179.6-60.6-47.4000111.8
876K31.8Very low29.8Very low168 Ų168136.8 Ų136.873%0.7374%0.74SS**  trans-136.781.7168.7-87-168.2172.4-175.50109.4T874 I878T874-K876 PolarHBondContact O-N 2.94Å; T874-K876 VanDerWaalsContact O-N 3.16Å; K876-I878 PolarHBondContact O-N 2.85Å
877N27.3Very low29.4Very low158 Ų158135.3 Ų135.385%0.84573%0.734SS**  trans-65.2101.1160-74.1-9000108.7
878I33Very low29Very low126 Ų126136 Ų13665%0.64674%0.738SS**  trans-130.8109.8163.7-60.3-178000106.4K876K876-I878 PolarHBondContact O-N 2.85Å
879N26.2Very low28.8Very low145 Ų145137.6 Ų137.678%0.77574%0.74SS**  trans-63134.5-179.2-58.3-10.3000110.9
880F29.1Very low28.7Very low195 Ų195142.4 Ų142.486%0.85574%0.743SS**  trans-146.895.3151.8-96.8-73.6000109.8
881N27Very low28.6Very low144 Ų144140.6 Ų140.677%0.7774%0.744SS**  trans-81.6126.3150.6-68.4-1.1000106.4
882D30.3Very low28.4Very low138 Ų138141.8 Ų141.874%0.73875%0.745SS**  177129.4109-89.7-17.7000112.5
883H28.6Very low28.4Very low176 Ų176145.4 Ų145.482%0.81576%0.756SS**  trans49.5149.1146.1-76.1-77000124.5
884S29.6Very low28.3Very low104 Ų104146.1 Ų146.173%0.72776%0.759SS**  trans82111.4158.5630000119.2
885N25.8Very low28.4Very low142 Ų142148.4 Ų148.476%0.75977%0.766SS**  13.4132.4124.1-49.314.1000115.2
886D29.3Very low28.3Very low128 Ų128147.9 Ų147.968%0.68476%0.764SS**  -165.3156.354-114.9-27.9000114
887N27.5Very low28.2Very low119 Ų119147.9 Ų147.964%0.63677%0.766SS**  trans46.1113.1143.5-62.1-47.9000122.2
888N26.4Very low28.4Very low136 Ų136146.2 Ų146.273%0.72775%0.753SS**  89.3137.4120.8-87.3-35.4000123.6
889I27Very low28.1Very low136 Ų136144.9 Ų144.970%0.69775%0.754SS**  trans87.7126.1143.3-70.2161.9000119.6
890K27.6Very low28.2Very low193 Ų193141.6 Ų141.684%0.83974%0.743SS**  trans72.984.8163.1-73.3162.6-171.3177.70120
891S26.8Very low28.4Very low109 Ų109138.4 Ų138.476%0.76273%0.734SS**  trans-164.725.5142.9380000115.3
892N25.7Very low28.6Very low160 Ų160137.9 Ų137.986%0.85673%0.731SS**  trans-105.247.3-178-78.39.8000114.1
893E27.7Very low28.6Very low178 Ų178137.6 Ų137.683%0.83273%0.729SS**SBendtrans-136.2145166.3-75.1175.7146.100107.6
894I29.6Very low28.7Very low167 Ų167134.2 Ų134.286%0.85672%0.717SS**SBendtrans111.1-37.4-176.3-63.8162.1000115.6N896I894-N896 PolarHBondContact O-N 2.83Å
895I29.9Very low28.8Very low138 Ų138132.9 Ų132.971%0.70871%0.707SS**THydrogen-bonded Turntrans-78.9-15.5-168.9-63.9176.5000114.5E897I895-E897 PolarHBondContact O-N 3.28Å
896N27.9Very low29Very low146 Ų146133.7 Ų133.778%0.78171%0.706SS**THydrogen-bonded Turntrans-85.5-2.7-165.5-74.3-5.6000117I894I894-N896 PolarHBondContact O-N 2.83Å
897E30.5Very low29Very low167 Ų167134.3 Ų134.378%0.7871%0.71SS**SBendtrans-94-36.1-175.4-72.2-168.7117.500115I895 S900I895-E897 PolarHBondContact O-N 3.28Å; E897-S900 PolarHBondContact O-OG 3.31Å
898E30.1Very low29.1Very low123 Ų123135.1 Ų135.158%0.57571%0.707SS**THydrogen-bonded Turntrans-79-20.1-175.3-69.4-162.5115.700114.9S900 P997E898-S900 VanDerWaalsContact C-N 3.32Å; E898-S900 PolarHBondContact O-N 2.9Å; E898-P997 VanDerWaalsContact OE1-CB 3.26Å; E898-P997 WeakPolarHBondContact OE1-CB 3.33Å
899C28.2Very low29.2Very low98 Ų98135.1 Ų135.166%0.66271%0.713SS**THydrogen-bonded Turntrans-81.2-7.1179.9-70.80000114.5
900S28.4Very low29.3Very low77 Ų77135.7 Ų135.754%0.53872%0.716SS.*THydrogen-bonded Turntrans-80.6-28.2-176.364.30000113.9E897 E898E897-S900 PolarHBondContact O-OG 3.31Å; E898-S900 VanDerWaalsContact C-N 3.32Å; E898-S900 PolarHBondContact O-N 2.9Å
901L32.3Very low29.3Very low128 Ų128134.2 Ų134.267%0.6772%0.715SS**THydrogen-bonded Turntrans-86-14.2-168.9-70.5169.8000115.1
902L30.8Very low29.3Very low133 Ų133136.8 Ų136.870%0.69672%0.72SS**THydrogen-bonded Turntrans-89.9-35.4-175.4-81160000113.7D904 S905L902-D904 VanDerWaalsContact C-N 3.27Å; L902-D904 PolarHBondContact O-N 3.09Å; L902-S905 PolarHBondContact O-OG 2.98Å
903N30.5Very low29.5Very low132 Ų132136.2 Ų136.271%0.70672%0.717SS**G310 helixtrans-69.3-21.3-179.1-80.1-24.3000113.9S905N903-S905 PolarHBondContact O-N 3.42Å
904D30.8Very low29.5Very low105 Ų105137 Ų13756%0.56172%0.718SS**G310 helixtrans-78.70.9-174.8-157.441.2000114.1L902 K908L902-D904 VanDerWaalsContact C-N 3.27Å; L902-D904 PolarHBondContact O-N 3.09Å; D904-K908 PolarHBondContact O-NZ 2.92Å; D904-K908 IonicContact OD1-NZ 3.13Å; D904-K908 PolarHBondContact OD1-NZ 2.73Å; D904-K908 VanDerWaalsContact OD1-NZ 3.09Å; D904-K908 IonicContact OD2-NZ 2.6Å; D904-K908 PolarHBondContact OD2-NZ 3.43Å
905S31.9Very low29.5Very low75 Ų75137.2 Ų137.252%0.52472%0.721SS.*G310 helixtrans-93.7-29.3179.466.50000114.4L902 N903L902-S905 PolarHBondContact O-OG 2.98Å; N903-S905 PolarHBondContact O-N 3.42Å
906H31.3Very low29.4Very low160 Ų160137.4 Ų137.474%0.74172%0.723SS**THydrogen-bonded Turntrans-84.1-12.5-173.3-99.5-84.7000114.9
907N29.2Very low29.6Very low141 Ų141138.4 Ų138.475%0.75472%0.723SS**THydrogen-bonded Turntrans-101.420.3-178.3-78.7-31.8000114.4
908K28.4Very low29.5Very low135 Ų135137 Ų13759%0.58772%0.72SS**SBendtrans-122.339.8-173.3-73.1-178.5-177.4111.80115.4D904D904-K908 PolarHBondContact O-NZ 2.92Å; D904-K908 IonicContact OD1-NZ 3.13Å; D904-K908 PolarHBondContact OD1-NZ 2.73Å; D904-K908 VanDerWaalsContact OD1-NZ 3.09Å; D904-K908 IonicContact OD2-NZ 2.6Å; D904-K908 PolarHBondContact OD2-NZ 3.43Å
909T29.3Very low29.3Very low137 Ų137137.6 Ų137.684%0.8473%0.727SS**SBendtrans-140.86.1170.5-20.10000114.8
910I29.5Very low29.5Very low148 Ų148141.7 Ų141.776%0.75974%0.736SS**SBendtrans-130.8158.3172.2-54.7178.6000106.3
911I27.8Very low29.5Very low162 Ų162145.3 Ų145.383%0.83174%0.744SS**  trans67.380-171.4-44.4174000111.9
912N26.2Very low29.3Very low162 Ų162145.5 Ų145.587%0.86675%0.746SS**  trans-14657.9162.9-145.3-9.9000110.6
913N29.9Very low29.3Very low149 Ų149145.1 Ų145.180%0.79775%0.745SS**SBendtrans-162.8123.5171.4-113.6-43000110.3
914K27.5Very low29.2Very low193 Ų193146.4 Ų146.484%0.83975%0.746SS**  trans60.198.6176.1-54.9176.4-177.6177.30116.1
915D28.4Very low29.1Very low173 Ų173148.7 Ų148.793%0.92575%0.754SS**  -137.5137.9123.7-101.9-40.6000108.4
916N29.8Very low29Very low141 Ų141149.5 Ų149.575%0.75476%0.759SS**  trans-160108.1-174.2-155.814.1000109.9
917Q31.6Very low28.9Very low167 Ų167148.6 Ų148.678%0.7876%0.759SS**  trans70.5150.2172.5-52.7177.1-10.900116.1
918I28.5Very low28.8Very low137 Ų137148.3 Ų148.370%0.70376%0.756SS**  cis-159.2153.3-22.7-113.3160.3000107.2
919N26.1Very low28.8Very low136 Ų136148.5 Ų148.573%0.72776%0.763SS**  trans9.4127.1163.9-48.5-4.5000120.2
920H31.3Very low28.9Very low185 Ų185147.5 Ų147.586%0.85676%0.757SS**  -162163.3109-114.3-77.8000112.4
921E27.7Very low28.8Very low152 Ų152147 Ų14771%0.7175%0.754SS**  trans-106.9166.5-167.1-49.8167.211500113.8
922N30Very low28.8Very low132 Ų132146.2 Ų146.271%0.70675%0.752SS**  trans69.4139.6157.9-53.6-42.8000116.2
923N29Very low29Very low126 Ų126144.1 Ų144.167%0.67475%0.745SS**  cis-163.615519.2-128.9-14.5000112.7
924Q28.7Very low28.9Very low158 Ų158143.4 Ų143.474%0.73874%0.741SS**  trans57144.9144.2-70.9178.6-1200124.8
925Q28.9Very low28.9Very low153 Ų153140.1 Ų140.172%0.71573%0.733SS**  trans5384.3146.9-91.463.7-000122.2
926S29.3Very low28.8Very low92 Ų92138.1 Ų138.164%0.64372%0.722SS**  54141102.176.30000124.5
927I29.4Very low28.8Very low142 Ų142137.7 Ų137.773%0.72872%0.72SS**  trans94107.3132.1-80.1164.4000121.4
928I28.8Very low28.5Very low134 Ų134136.2 Ų136.269%0.68772%0.717SS**  trans47.5123.5130.3-49169.5000120
929N27.5Very low28.5Very low140 Ų140136.6 Ų136.675%0.74972%0.721SS**  -177.6163.9117.7-102.6-61.7000115
930T30.3Very low28.5Very low116 Ų116137.5 Ų137.571%0.71273%0.725SS**  trans65.3107161.3-49.80000117
931I28.9Very low28.3Very low136 Ų136137.5 Ų137.570%0.69772%0.722SS**  92.3112.952-67.1167.3000114.2
932N26.5Very low28.6Very low147 Ų147137 Ų13779%0.78672%0.723SS**  trans70.5161.7150.4-69.8-6.7000124.1
933T31.7Very low28.5Very low118 Ų118137.1 Ų137.172%0.72472%0.724SS**  trans79.793.2159.441.10000120.9
934N27.7Very low28.7Very low134 Ų134136.7 Ų136.772%0.71772%0.722SS**  62.2129.6112.8-65.32.8000122.3
935N28.2Very low28.8Very low124 Ų124135.8 Ų135.866%0.66372%0.717SS**  trans74.1108.6134.6-66.1-4.2000121
936N26.2Very low28.9Very low131 Ų131136.8 Ų136.870%0.70172%0.72SS**  81.8145.9123.6-61.4-12.7000120.9
937N28.1Very low28.9Very low131 Ų131137.8 Ų137.870%0.70172%0.718SS**  trans74.4107.4154.6-60.2-20.8000119.2
938N26.3Very low28.7Very low136 Ų136137.7 Ų137.773%0.72772%0.719SS**  50.4104.9118.8-50.1-17000118.4
939N28Very low28.7Very low145 Ų145139.4 Ų139.478%0.77572%0.724SS**  trans-178.2129.4131.9-87.6-48.5000106.8
940L26.5Very low28.6Very low156 Ų156140.7 Ų140.782%0.81772%0.723SS**  cis69.684.735.9-154.8156.9000112.7
941K27.7Very low28.4Very low184 Ų184141.7 Ų141.780%0.872%0.724SS**  trans175.9145.3176.4-103156.6-174175.20105.7
942I32.3Very low28.2Very low142 Ų142141.7 Ų141.773%0.72873%0.726SS**  cis-13814111.2-62.1-175.1000109.9
943N29Very low28.1Very low134 Ų134141.7 Ų141.772%0.71773%0.726SS**  trans6.8156.2142.2-38.5-11.6000119.6
944N33.3Very low27.8Very low118 Ų118143 Ų14363%0.63172%0.723SS**  cis-165.7150.927.9-138.32000112.8
945Q31.2Very low27.7Very low139 Ų139144.5 Ų144.565%0.6573%0.731SS**  trans58.3144.8150.7-67.4162.7-52.800119.6
946F29.3Very low27.6Very low173 Ų173144.7 Ų144.776%0.75973%0.728SS**  cis-130.4152.814.9-108.3-82.1000113.5
947D29.8Very low27.7Very low114 Ų114145 Ų14561%0.6173%0.725SS**  trans-8.2125.1162.9-70-77.3000120.3
948N26.2Very low27.5Very low139 Ų139146.1 Ų146.174%0.74373%0.731SS**  70.5109.778.7-76.6-49.8000115
949Q27.8Very low27.4Very low171 Ų171147.3 Ų147.380%0.79973%0.732SS**  -175.6156.3110.8-100.3-170.922.800113.8
950F26.2Very low27.3Very low167 Ų167146 Ų14673%0.73273%0.734SS**  trans9.8119.1169.7-61.9-86.9000119.5
951N24.7Very low27.3Very low136 Ų136145.1 Ų145.173%0.72773%0.729SS**  cis6573.148.5-16327.3000115
952N26.2Very low27.1Very low137 Ų137145.4 Ų145.473%0.73373%0.73SS**  trans-179.2128.4140.8-96.5-42000113.6H954N952-H954 PolarHBondContact O-N 3.35Å
953N23.6Very low26.7Very low147 Ų147146.2 Ų146.279%0.78673%0.734SS**  trans43.365.3148.3-62.4-18.1000121.6
954H25.2Very low26.6Very low144 Ų144148 Ų14867%0.66774%0.736SS**  trans-134.4140.1148.5-8710.8000108.2N952 H956N952-H954 PolarHBondContact O-N 3.35Å; H954-H956 WeakPolarHBondContact CB-CD2 3.49Å; H954-H956 AromaticContact CD2-CE1 3.91Å; H954-H956 AromaticContact CD2-NE2 3.44Å; H954-H956 PolarHBondContact CD2-NE2 3.23Å; H954-H956 AromaticContact CG-NE2 3.91Å
955N26.4Very low26.1Very low167 Ų167151.1 Ų151.189%0.89375%0.747SS**  cis57.34844.2-74.9-6.4000114
956H25.9Very low25.7Very low128 Ų128150.7 Ų150.759%0.59375%0.749SS**  trans-129.8158172.9-80.2-65.3000110H954H954-H956 WeakPolarHBondContact CB-CD2 3.49Å; H954-H956 AromaticContact CD2-CE1 3.91Å; H954-H956 AromaticContact CD2-NE2 3.44Å; H954-H956 PolarHBondContact CD2-NE2 3.23Å; H954-H956 AromaticContact CG-NE2 3.91Å
957H27.3Very low25.5Very low136 Ų136149.4 Ų149.463%0.6375%0.749SS**  cis-145.7122.5-2.1-132.4-53.7000111.1
958N24.3Very low25.2Very low156 Ų156150.6 Ų150.683%0.83476%0.756SS**  trans-78.8129145.3-88-42.3000107.3
959Q24.7Very low25.2Very low161 Ų161154.2 Ų154.275%0.75277%0.765SS**  trans175.292.4141.2-99167.79.500113.8
960S26.6Very low25.1Very low116 Ų116151.7 Ų151.781%0.81176%0.763SS**SBendtrans-155.554.3156.346.20000109.1
961I26.3Very low25Very low138 Ų138149.2 Ų149.271%0.70876%0.764SS**  91.2110.699.1-74.7164.6000112.1
962K23.5Very low25Very low190 Ų190152.4 Ų152.483%0.82677%0.771SS**  trans37.4101.7150-57.5174.9-177.8176.70117.6
963I24.2Very low25.1Very low159 Ų159153.2 Ų153.282%0.81578%0.776SS**  trans-159.8123.2132.8-105.5148.4000110.6
964F26.1Very low25.3Very low173 Ų173154.7 Ų154.776%0.75978%0.778SS**  trans45.6100.7159.8-72.4-101.8000120.1N966F964-N966 HydrophobicContact CD1-CB 4.42Å
965E22.8Very low25.5Very low183 Ų183156.7 Ų156.786%0.85579%0.785SS**  -57.1127.5119.6-64.5174.3107.900108.7
966N23.5Very low25.6Very low130 Ų130155.5 Ų155.570%0.69577%0.774SS**  trans158.7151.8143.4-95.2-71.6000112.4F964F964-N966 HydrophobicContact CD1-CB 4.42Å
967L24.2Very low25.7Very low145 Ų145157.3 Ų157.376%0.75978%0.78SS**  trans63.6104.9162.3-60.8158.3000116.3
968N23.3Very low25.8Very low140 Ų140159.1 Ų159.175%0.74979%0.786SS**  68.5124.382.6-76.7-27.7000115.7P970N968-P970 WeakPolarHBondContact O-CD 3.33Å
969F26.8Very low25.9Very low215 Ų215158.2 Ų158.294%0.94378%0.775SS**  trans-58.2134.1175.7-70-97.8000114
970P25.9Very low26.2Very low117 Ų117155.9 Ų155.976%0.7676%0.764SS**  trans-106.5156.6153.9-1.823.9000112N968N968-P970 WeakPolarHBondContact O-CD 3.33Å
971P24.6Very low26.2Very low115 Ų115155.2 Ų155.275%0.74775%0.751SS**  trans-99.1162.2-165.537.8-36.8000116.2N973P971-N973 PolarHBondContact O-N 2.98Å
972K24.4Very low26.4Very low203 Ų203151.4 Ų151.488%0.88374%0.737SS**SBendtrans7.196.2151.3-61.8177.9179.6178.90116.6
973N27Very low26.7Very low155 Ų155147.7 Ų147.783%0.82973%0.725SS**  trans-160.7-11.8153.7-108.6-19.9000117P971 F975P971-N973 PolarHBondContact O-N 2.98Å; N973-F975 PolarHBondContact O-N 2.9Å
974Q28.9Very low27Very low177 Ų177144.2 Ų144.283%0.82771%0.709SS**THydrogen-bonded Turntrans-79.4-12.4-177.3-69-170.6-4.800115.5H976 K977Q974-H976 PolarHBondContact O-N 3.16Å; Q974-H976 VanDerWaalsContact O-N 3.09Å; Q974-K977 PolarHBondContact O-N 3.17Å; Q974-K977 VanDerWaalsContact O-N 3.1Å
975F29.5Very low27.3Very low186 Ų186141.8 Ų141.882%0.81670%0.703SS**Hα-helixtrans-58.2-28.9-174.1-127.3-87.7000114.1N973 K979N973-F975 PolarHBondContact O-N 2.9Å; F975-K979 PolarHBondContact O-N 2.94Å
976H28.4Very low27.7Very low142 Ų142140.2 Ų140.266%0.65769%0.69SS**Hα-helixtrans-73.8-25.2-178.3-141.2-65.7000113.5Q974 Q980Q974-H976 PolarHBondContact O-N 3.16Å; Q974-H976 VanDerWaalsContact O-N 3.09Å; H976-Q980 PolarHBondContact O-N 3.16Å
977K28.4Very low27.9Very low167 Ų167136.6 Ų136.673%0.72668%0.675SS**Hα-helixtrans-82.3-34.8178.5-142.3174.8-173.1-177.90111.7Q974 Q980 N981Q974-K977 PolarHBondContact O-N 3.17Å; Q974-K977 VanDerWaalsContact O-N 3.1Å; K977-Q980 WeakPolarHBondContact O-CB 3.46Å; K977-Q980 PolarHBondContact O-N 2.81Å; K977-N981 PolarHBondContact O-N 3Å
978F27.6Very low28.2Very low173 Ų173134.1 Ų134.176%0.75966%0.663SS**Hα-helixtrans-64.7-41.3172.9-139.8-88.9000111.7Q980 N981 S982F978-Q980 VanDerWaalsContact C-N 3.26Å; F978-Q980 PolarHBondContact O-N 3.19Å; F978-N981 PolarHBondContact O-N 2.86Å; F978-S982 PolarHBondContact O-N 3.28Å; F978-S982 PolarHBondContact O-OG 3.26Å
979K27.5Very low28.5Very low138 Ų138136.2 Ų136.260%0.666%0.661SS**Hα-helixtrans-65.4-25.9176.8-163.9173.7-176.3-179.40113.8F975 S982 L983F975-K979 PolarHBondContact O-N 2.94Å; K979-S982 WeakPolarHBondContact CA-OG 3.42Å; K979-S982 PolarHBondContact O-OG 3.37Å; K979-L983 PolarHBondContact O-N 2.96Å
980Q30.2Very low28.6Very low111 Ų111130.7 Ų130.752%0.51964%0.641SS.*Hα-helixtrans-72.5-54.4173.1-151.793.523.200110H976 K977 F978 S982 L983 D984H976-Q980 PolarHBondContact O-N 3.16Å; K977-Q980 WeakPolarHBondContact O-CB 3.46Å; K977-Q980 PolarHBondContact O-N 2.81Å; F978-Q980 VanDerWaalsContact C-N 3.26Å; F978-Q980 PolarHBondContact O-N 3.19Å; Q980-S982 VanDerWaalsContact C-N 3.28Å; Q980-S982 PolarHBondContact O-N 3.47Å; Q980-L983 WeakPolarHBondContact O-CA 3.37Å; Q980-L983 WeakPolarHBondContact O-CB 3.36Å; Q980-L983 PolarHBondContact O-N 3.13Å; Q980-D984 PolarHBondContact O-N 3.39Å
981N28Very low28.7Very low102 Ų102132.3 Ų132.355%0.54564%0.636SS.*Hα-helixtrans-59.2-35.2178.8-76.329.2000113K977 F978 L983 D984 L985K977-N981 PolarHBondContact O-N 3Å; F978-N981 PolarHBondContact O-N 2.86Å; N981-L983 VanDerWaalsContact C-N 3.32Å; N981-L983 PolarHBondContact O-N 2.92Å; N981-D984 PolarHBondContact O-N 3Å; N981-L985 WeakPolarHBondContact O-CB 3.36Å; N981-L985 PolarHBondContact O-N 3.38Å
982S29.1Very low29Very low58 Ų58134.6 Ų134.641%0.40664%0.635SS.*Hα-helixtrans-66.3-32.8174.659.10000112.9F978 K979 Q980 Y986F978-S982 PolarHBondContact O-N 3.28Å; F978-S982 PolarHBondContact O-OG 3.26Å; K979-S982 WeakPolarHBondContact CA-OG 3.42Å; K979-S982 PolarHBondContact O-OG 3.37Å; Q980-S982 VanDerWaalsContact C-N 3.28Å; Q980-S982 PolarHBondContact O-N 3.47Å; S982-Y986 WeakPolarHBondContact O-CB 3.41Å; S982-Y986 PolarHBondContact O-N 3.04Å
983L31.1Very low29.3Very low112 Ų112127.8 Ų127.859%0.58661%0.612SS**Hα-helixtrans-73.2-35.8174.6-91163000111.9K979 Q980 N981 Y986 S987K979-L983 PolarHBondContact O-N 2.96Å; Q980-L983 WeakPolarHBondContact O-CA 3.37Å; Q980-L983 WeakPolarHBondContact O-CB 3.36Å; Q980-L983 PolarHBondContact O-N 3.13Å; N981-L983 VanDerWaalsContact C-N 3.32Å; N981-L983 PolarHBondContact O-N 2.92Å; L983-Y986 PolarHBondContact O-N 3.48Å; L983-S987 WeakPolarHBondContact O-CB 3.42Å; L983-S987 PolarHBondContact O-N 3.09Å; L983-S987 PolarHBondContact O-OG 2.95Å
984D29.8Very low29.4Very low87 Ų87126 Ų12647%0.46560%0.603SS.*Hα-helixtrans-72.9-31.6174.7-68.9-37.9000112.6Q980 N981 S987 N988Q980-D984 PolarHBondContact O-N 3.39Å; N981-D984 PolarHBondContact O-N 3Å; D984-S987 PolarHBondContact O-OG 2.86Å; D984-N988 WeakPolarHBondContact O-CB 3.45Å; D984-N988 PolarHBondContact O-N 3.31Å; D984-N988 VanDerWaalsContact O-N 3.12Å; D984-N988 PolarHBondContact O-ND2 2.66Å
985L33Very low29.5Very low121 Ų121124.8 Ų124.863%0.63460%0.597SS**Hα-helixtrans-64.5-45.4167.1-96145.2000111.4N981 N988 Y989N981-L985 WeakPolarHBondContact O-CB 3.36Å; N981-L985 PolarHBondContact O-N 3.38Å; L985-N988 PolarHBondContact O-N 3Å; L985-Y989 PolarHBondContact O-N 3.03Å
986Y29.7Very low29.6Very low150 Ų150118.2 Ų118.259%0.58857%0.574SS**Hα-helixtrans-66.3-37.5179-138.6-95.2000112.7S982 L983 Y989 L990S982-Y986 WeakPolarHBondContact O-CB 3.41Å; S982-Y986 PolarHBondContact O-N 3.04Å; L983-Y986 PolarHBondContact O-N 3.48Å; Y986-Y989 PolarHBondContact O-N 3.28Å; Y986-L990 HydrophobicContact CD1-CD1 3.77Å; Y986-L990 HydrophobicContact CD1-CG 4.39Å; Y986-L990 HydrophobicContact CE1-CD1 4.11Å; Y986-L990 WeakPolarHBondContact O-CB 3.35Å; Y986-L990 WeakPolarHBondContact O-CG 3.22Å; Y986-L990 PolarHBondContact O-N 2.96Å
987S29.3Very low29.6Very low54 Ų54114 Ų11438%0.37856%0.56SS.*Hα-helixtrans-71.7-31.6177.874.80000112.8L983 D984 K991L983-S987 WeakPolarHBondContact O-CB 3.42Å; L983-S987 PolarHBondContact O-N 3.09Å; L983-S987 PolarHBondContact O-OG 2.95Å; D984-S987 PolarHBondContact O-OG 2.86Å; S987-K991 WeakPolarHBondContact O-CG 3.41Å; S987-K991 PolarHBondContact O-N 2.74Å; S987-K991 VanDerWaalsContact O-N 3.14Å
988N29.6Very low29.7Very low94 Ų94111.7 Ų111.750%0.50355%0.554SS.*Hα-helixtrans-75.8-33.5171.3-75.9-61.7000112.5D984 L985 K991 K992D984-N988 WeakPolarHBondContact O-CB 3.45Å; D984-N988 PolarHBondContact O-N 3.31Å; D984-N988 VanDerWaalsContact O-N 3.12Å; D984-N988 PolarHBondContact O-ND2 2.66Å; L985-N988 PolarHBondContact O-N 3Å; N988-K991 PolarHBondContact O-N 3.45Å; N988-K992 PolarHBondContact O-N 2.7Å
989Y29.4Very low29.9Very low183 Ų183110 Ų11072%0.71855%0.547SS*.Hα-helixtrans-63.7-44.9171.1-123.9-91.3000111.6L985 Y986 K991 K992 S993L985-Y989 PolarHBondContact O-N 3.03Å; Y986-Y989 PolarHBondContact O-N 3.28Å; Y989-K991 PolarHBondContact O-N 3.43Å; Y989-K992 PolarHBondContact O-N 2.89Å; Y989-S993 PolarHBondContact O-N 3.06Å; Y989-S993 PolarHBondContact O-OG 3.23Å
990L28.5Very low30.1Very low100 Ų100106.5 Ų106.552%0.52454%0.539SS..Hα-helixtrans-68.5-15.8174.9-78.9166.7000114.2Y986 S993 N994Y986-L990 HydrophobicContact CD1-CD1 3.77Å; Y986-L990 HydrophobicContact CD1-CG 4.39Å; Y986-L990 HydrophobicContact CE1-CD1 4.11Å; Y986-L990 WeakPolarHBondContact O-CB 3.35Å; Y986-L990 WeakPolarHBondContact O-CG 3.22Å; Y986-L990 PolarHBondContact O-N 2.96Å; L990-S993 WeakPolarHBondContact CA-OG 3.32Å; L990-S993 PolarHBondContact O-OG 3.18Å; L990-N994 PolarHBondContact O-ND2 2.86Å
991K29.6Very low30.1Very low150 Ų150107.4 Ų107.465%0.65255%0.545SS*.Hα-helixtrans-80.6-48.8166.9-82.8-177.5172.1-175.90111.4S987 N988 Y989 S993 N994S987-K991 WeakPolarHBondContact O-CG 3.41Å; S987-K991 PolarHBondContact O-N 2.74Å; S987-K991 VanDerWaalsContact O-N 3.14Å; N988-K991 PolarHBondContact O-N 3.45Å; Y989-K991 PolarHBondContact O-N 3.43Å; K991-S993 VanDerWaalsContact C-N 3.28Å; K991-S993 PolarHBondContact O-N 3.02Å; K991-N994 PolarHBondContact O-N 3.47Å
992K30.1Very low30.4Very low164 Ų164105.4 Ų105.471%0.71353%0.534SS*.Hα-helixtrans-66.3-24.4178.9-85.9-166.8164.9-1670114.2N988 Y989 N994N988-K992 PolarHBondContact O-N 2.7Å; Y989-K992 PolarHBondContact O-N 2.89Å; K992-N994 PolarHBondContact O-N 3.34Å
993S30.3Very low30.5Very low59 Ų59104.9 Ų104.941%0.41353%0.53SS..THydrogen-bonded Turntrans-67.5-17174.358.20000114.1Y989 L990 K991Y989-S993 PolarHBondContact O-N 3.06Å; Y989-S993 PolarHBondContact O-OG 3.23Å; L990-S993 WeakPolarHBondContact CA-OG 3.32Å; L990-S993 PolarHBondContact O-OG 3.18Å; K991-S993 VanDerWaalsContact C-N 3.28Å; K991-S993 PolarHBondContact O-N 3.02Å
994N29.1Very low30.6Very low117 Ų117103.8 Ų103.863%0.62653%0.525SS*.THydrogen-bonded Turntrans-91.23.4-176.2-64.5-4.1000113.5L990 K991 K992L990-N994 PolarHBondContact O-ND2 2.86Å; K991-N994 PolarHBondContact O-N 3.47Å; K992-N994 PolarHBondContact O-N 3.34Å
995E30.4Very low30.9Very low152 Ų152105.7 Ų105.771%0.7153%0.531SS*.  trans-108.621.2-175.9-61.5178143.400112.6
996S31.8Very low30.8Very low49 Ų49107.1 Ų107.134%0.34353%0.529SS..  trans-84.4133.2178.758.60000112.4I998 F999 S1000S996-I998 PolarHBondContact O-N 3.02Å; S996-I998 VanDerWaalsContact O-N 3.14Å; S996-F999 PolarHBondContact O-N 2.91Å; S996-S1000 PolarHBondContact O-N 3.45Å
997P30.1Very low31.1Very low54 Ų54103.3 Ų103.335%0.35152%0.519SS..Hα-helixtrans-54.7-35-177.7-3036.2000114.6E898 F999 S1000 M1001E898-P997 VanDerWaalsContact OE1-CB 3.26Å; E898-P997 WeakPolarHBondContact OE1-CB 3.33Å; P997-F999 PolarHBondContact O-N 2.89Å; P997-S1000 WeakPolarHBondContact CA-OG 3.42Å; P997-S1000 PolarHBondContact O-N 2.97Å; P997-S1000 PolarHBondContact O-OG 2.89Å; P997-M1001 WeakPolarHBondContact O-CB 3.37Å; P997-M1001 PolarHBondContact O-N 3.46Å
998I30.6Very low31.5Very low117 Ų117105.3 Ų105.360%0.653%0.525SS*.Hα-helixtrans-61.5-32.9177.9-60.6168.5000111.4S996 I1002S996-I998 PolarHBondContact O-N 3.02Å; S996-I998 VanDerWaalsContact O-N 3.14Å; I998-I1002 HydrophobicContact CG2-CD1 3.93Å; I998-I1002 WeakPolarHBondContact O-CB 3.14Å; I998-I1002 WeakPolarHBondContact O-CD1 3.15Å; I998-I1002 VanDerWaalsContact O-CG1 3.26Å; I998-I1002 WeakPolarHBondContact O-CG1 3.46Å; I998-I1002 PolarHBondContact O-N 3.34Å; I998-I1002 VanDerWaalsContact O-N 3.1Å
999F31Very low31.7Very low139 Ų139105.1 Ų105.161%0.6152%0.521SS*.Hα-helixtrans-79-35.1178.9-144.7-84.7000112S996 P997 S1003S996-F999 PolarHBondContact O-N 2.91Å; P997-F999 PolarHBondContact O-N 2.89Å; F999-S1003 WeakPolarHBondContact O-CB 3.41Å; F999-S1003 PolarHBondContact O-N 2.86Å
1000S31.2Very low32.2Very low63 Ų6399.5 Ų99.544%0.44150%0.503SS..Hα-helixtrans-70.9-34.5171.347.60000112.2S996 P997 S1003 N1004S996-S1000 PolarHBondContact O-N 3.45Å; P997-S1000 WeakPolarHBondContact CA-OG 3.42Å; P997-S1000 PolarHBondContact O-N 2.97Å; P997-S1000 PolarHBondContact O-OG 2.89Å; S1000-S1003 PolarHBondContact O-N 2.99Å; S1000-N1004 VanDerWaalsContact O-CB 3.24Å; S1000-N1004 WeakPolarHBondContact O-CB 3.25Å; S1000-N1004 PolarHBondContact O-N 3.35Å
1001M30.7Very low32.6Very low131 Ų13198.7 Ų98.765%0.64550%0.499SS*.Hα-helixtrans-65.1-48.6174.4-160.7178.9-158.500111.5P997 S1003 N1004 E1005P997-M1001 WeakPolarHBondContact O-CB 3.37Å; P997-M1001 PolarHBondContact O-N 3.46Å; M1001-S1003 VanDerWaalsContact C-N 3.34Å; M1001-S1003 PolarHBondContact O-N 2.81Å; M1001-N1004 PolarHBondContact O-N 2.99Å; M1001-E1005 PolarHBondContact O-N 3.35Å
1002I33.1Very low33Very low60 Ų6098.8 Ų98.831%0.30850%0.502SS..Hα-helixtrans-65.1-36.5175.9-68.6168.4000111.5I998 Y1006I998-I1002 HydrophobicContact CG2-CD1 3.93Å; I998-I1002 WeakPolarHBondContact O-CB 3.14Å; I998-I1002 WeakPolarHBondContact O-CD1 3.15Å; I998-I1002 VanDerWaalsContact O-CG1 3.26Å; I998-I1002 WeakPolarHBondContact O-CG1 3.46Å; I998-I1002 PolarHBondContact O-N 3.34Å; I998-I1002 VanDerWaalsContact O-N 3.1Å; I1002-Y1006 WeakPolarHBondContact O-CB 3.47Å; I1002-Y1006 PolarHBondContact O-N 3.21Å; I1002-Y1006 VanDerWaalsContact O-N 3.14Å
1003S32.9Very low33.2Very low46 Ų4697.6 Ų97.632%0.32250%0.502SS..Hα-helixtrans-67.1-40174.4-171.60000111.8F999 S1000 M1001 Y1006 N1007F999-S1003 WeakPolarHBondContact O-CB 3.41Å; F999-S1003 PolarHBondContact O-N 2.86Å; S1000-S1003 PolarHBondContact O-N 2.99Å; M1001-S1003 VanDerWaalsContact C-N 3.34Å; M1001-S1003 PolarHBondContact O-N 2.81Å; S1003-Y1006 PolarHBondContact O-N 3.3Å; S1003-N1007 WeakPolarHBondContact O-CB 3.26Å; S1003-N1007 PolarHBondContact O-N 2.94Å; S1003-N1007 PolarHBondContact O-ND2 3.45Å; S1003-N1007 VanDerWaalsContact O-ND2 3.1Å; S1003-N1007 PolarHBondContact OG-ND2 2.87Å
1004N33.2Very low33.4Very low90 Ų90100.3 Ų100.348%0.48151%0.513SS..Hα-helixtrans-73.8-33.4179.4-72.6-8.2000112.7S1000 M1001 Y1006 N1008S1000-N1004 VanDerWaalsContact O-CB 3.24Å; S1000-N1004 WeakPolarHBondContact O-CB 3.25Å; S1000-N1004 PolarHBondContact O-N 3.35Å; M1001-N1004 PolarHBondContact O-N 2.99Å; N1004-Y1006 VanDerWaalsContact C-N 3.33Å; N1004-N1008 WeakPolarHBondContact O-CB 3.32Å; N1004-N1008 VanDerWaalsContact O-CG 3.23Å; N1004-N1008 PolarHBondContact O-N 2.66Å; N1004-N1008 PolarHBondContact O-ND2 3.31Å
1005E35.3Very low33.5Very low127 Ų127100.8 Ų100.859%0.59352%0.515SS*.Hα-helixtrans-60.6-43.8166.4-75.6-169.6123.200111.2M1001 E1009M1001-E1005 PolarHBondContact O-N 3.35Å; E1005-E1009 PolarHBondContact O-N 3.01Å; E1005-E1009 VanDerWaalsContact O-N 3.08Å
1006Y31.5Very low33.6Very low151 Ų15199.9 Ų99.959%0.59252%0.515SS*.Hα-helixtrans-68.6-41.6-178.5-155.4-102000112.5I1002 S1003 N1004 I1010I1002-Y1006 WeakPolarHBondContact O-CB 3.47Å; I1002-Y1006 PolarHBondContact O-N 3.21Å; I1002-Y1006 VanDerWaalsContact O-N 3.14Å; S1003-Y1006 PolarHBondContact O-N 3.3Å; N1004-Y1006 VanDerWaalsContact C-N 3.33Å; Y1006-I1010 HydrophobicContact CD1-CD1 3.66Å; Y1006-I1010 HydrophobicContact CE1-CD1 3.61Å; Y1006-I1010 WeakPolarHBondContact O-CG1 3.22Å; Y1006-I1010 PolarHBondContact O-N 3.28Å; Y1006-I1010 VanDerWaalsContact O-N 3.11Å
1007N36.4Very low33.4Very low70 Ų70103.2 Ų103.237%0.37454%0.536SS..Hα-helixtrans-71.2-39.7177-64.9-29.1000111.6S1003 E1009 I1010 D1011S1003-N1007 WeakPolarHBondContact O-CB 3.26Å; S1003-N1007 PolarHBondContact O-N 2.94Å; S1003-N1007 PolarHBondContact O-ND2 3.45Å; S1003-N1007 VanDerWaalsContact O-ND2 3.1Å; S1003-N1007 PolarHBondContact OG-ND2 2.87Å; N1007-E1009 VanDerWaalsContact C-N 3.35Å; N1007-E1009 PolarHBondContact O-N 3.03Å; N1007-I1010 PolarHBondContact O-N 2.92Å; N1007-D1011 WeakPolarHBondContact O-CB 3.35Å; N1007-D1011 PolarHBondContact O-N 3.43Å
1008N36.9Very low33.3Very low95 Ų95105.4 Ų105.451%0.50855%0.552SS.*Hα-helixtrans-65.4-34.5175.5-78.2-40.6000112.7N1004 Q1012N1004-N1008 WeakPolarHBondContact O-CB 3.32Å; N1004-N1008 VanDerWaalsContact O-CG 3.23Å; N1004-N1008 PolarHBondContact O-N 2.66Å; N1004-N1008 PolarHBondContact O-ND2 3.31Å; N1008-Q1012 WeakPolarHBondContact O-CB 3.5Å; N1008-Q1012 VanDerWaalsContact O-CG 3.25Å; N1008-Q1012 WeakPolarHBondContact O-CG 3.42Å; N1008-Q1012 PolarHBondContact O-N 3.49Å
1009E34.7Very low33.3Very low90 Ų90107.9 Ų107.942%0.42157%0.565SS.*Hα-helixtrans-67.6-39.8170.9-80.4-173.4162.900112.3E1005 N1007 Q1012 L1013 K1049E1005-E1009 PolarHBondContact O-N 3.01Å; E1005-E1009 VanDerWaalsContact O-N 3.08Å; N1007-E1009 VanDerWaalsContact C-N 3.35Å; N1007-E1009 PolarHBondContact O-N 3.03Å; E1009-Q1012 PolarHBondContact O-N 3.03Å; E1009-L1013 WeakPolarHBondContact O-CB 3.34Å; E1009-L1013 WeakPolarHBondContact O-CG 3.42Å; E1009-L1013 PolarHBondContact O-N 3.34Å; E1009-K1049 IonicContact OE1-NZ 2.76Å; E1009-K1049 PolarHBondContact OE1-NZ 3.25Å; E1009-K1049 IonicContact OE2-NZ 3.48Å; E1009-K1049 PolarHBondContact OE2-NZ 2.97Å
1010I38.9Very low33.1Very low66 Ų66110.7 Ų110.734%0.33858%0.58SS.*Hα-helixtrans-67.9-41.5177.6-73.8171.5000111.3Y1006 N1007 L1013 N1014Y1006-I1010 HydrophobicContact CD1-CD1 3.66Å; Y1006-I1010 HydrophobicContact CE1-CD1 3.61Å; Y1006-I1010 WeakPolarHBondContact O-CG1 3.22Å; Y1006-I1010 PolarHBondContact O-N 3.28Å; Y1006-I1010 VanDerWaalsContact O-N 3.11Å; N1007-I1010 PolarHBondContact O-N 2.92Å; I1010-L1013 PolarHBondContact O-N 2.86Å; I1010-N1014 WeakPolarHBondContact CG2-ND2 3.48Å; I1010-N1014 WeakPolarHBondContact O-CB 3.37Å; I1010-N1014 VanDerWaalsContact O-CG 3.27Å; I1010-N1014 PolarHBondContact O-N 3.34Å; I1010-N1014 PolarHBondContact O-ND2 2.81Å
1011D37Very low33Very low83 Ų83116.2 Ų116.244%0.44460%0.599SS.*Hα-helixtrans-71.4-30.1176.8-74.5-25.9000112.2N1007 N1014 N1015N1007-D1011 WeakPolarHBondContact O-CB 3.35Å; N1007-D1011 PolarHBondContact O-N 3.43Å; D1011-N1014 PolarHBondContact O-N 3.02Å; D1011-N1015 VanDerWaalsContact O-CB 3.31Å; D1011-N1015 WeakPolarHBondContact O-CB 3.31Å; D1011-N1015 PolarHBondContact O-N 3.1Å; D1011-N1015 VanDerWaalsContact O-N 3.11Å; D1011-N1015 PolarHBondContact O-ND2 3.05Å
1012Q37.6Very low32.8Very low152 Ų152118.1 Ų118.171%0.7161%0.611SS**Hα-helixtrans-72.1-27.5169.6-74.2177.836.200113N1008 E1009N1008-Q1012 WeakPolarHBondContact O-CB 3.5Å; N1008-Q1012 VanDerWaalsContact O-CG 3.25Å; N1008-Q1012 WeakPolarHBondContact O-CG 3.42Å; N1008-Q1012 PolarHBondContact O-N 3.49Å; E1009-Q1012 PolarHBondContact O-N 3.03Å
1013L34.7Very low32.6Very low138 Ų138123.1 Ų123.172%0.72364%0.638SS**Hα-helixtrans-77.6-31.1171.9-79.4163.7000113.1E1009 I1010E1009-L1013 WeakPolarHBondContact O-CB 3.34Å; E1009-L1013 WeakPolarHBondContact O-CG 3.42Å; E1009-L1013 PolarHBondContact O-N 3.34Å; I1010-L1013 PolarHBondContact O-N 2.86Å
1014N34.7Very low32.4Very low117 Ų117128.2 Ų128.263%0.62666%0.662SS**Hα-helixtrans-83.3-22.4179.6-71.8-31.5000114.1I1010 D1011 N1016I1010-N1014 WeakPolarHBondContact CG2-ND2 3.48Å; I1010-N1014 WeakPolarHBondContact O-CB 3.37Å; I1010-N1014 VanDerWaalsContact O-CG 3.27Å; I1010-N1014 PolarHBondContact O-N 3.34Å; I1010-N1014 PolarHBondContact O-ND2 2.81Å; D1011-N1014 PolarHBondContact O-N 3.02Å; N1014-N1016 VanDerWaalsContact C-N 3.34Å; N1014-N1016 PolarHBondContact O-N 3.02Å
1015N31.6Very low32.4Very low127 Ų127130.4 Ų130.468%0.67967%0.673SS**  trans-91.333.7-175.6-80.8-68.8000114.8D1011 P1017D1011-N1015 VanDerWaalsContact O-CB 3.31Å; D1011-N1015 WeakPolarHBondContact O-CB 3.31Å; D1011-N1015 PolarHBondContact O-N 3.1Å; D1011-N1015 VanDerWaalsContact O-N 3.11Å; D1011-N1015 PolarHBondContact O-ND2 3.05Å; N1015-P1017 WeakPolarHBondContact O-CD 3.5Å
1016N31.5Very low32.2Very low132 Ų132130.3 Ų130.371%0.70668%0.677SS**  trans-106.198.5178.4-140.3-18.1000110.6N1014 S1018N1014-N1016 VanDerWaalsContact C-N 3.34Å; N1014-N1016 PolarHBondContact O-N 3.02Å; N1016-S1018 PolarHBondContact O-N 2.99Å
1017P28Very low32Very low120 Ų120130 Ų13078%0.77969%0.686SS**  trans-78.888.9-165.631.5-36.1000111.9N1015N1015-P1017 WeakPolarHBondContact O-CD 3.5Å
1018S28.5Very low31.7Very low99 Ų99135.6 Ų135.669%0.69271%0.707SS**  trans-153.9139.8173.5-75.60000110.9N1016N1016-S1018 PolarHBondContact O-N 2.99Å
1019I30.8Very low31.4Very low170 Ų170136.2 Ų136.287%0.87271%0.714SS**  trans75.241.4176.9-38163.1000114.7
1020E26.3Very low31Very low198 Ų198138.4 Ų138.493%0.92573%0.728SS**  trans-11763.8152.2-84.7-149.2135.200111.4
1021Q29.6Very low30.5Very low178 Ų178140.7 Ų140.783%0.83275%0.746SS**  trans-140.1155.6162.2-69.6-166.3-2.300109.8
1022L26.5Very low30Very low172 Ų172141.9 Ų141.990%0.90176%0.756SS**  trans66.462176.7-63.3158.8000116.5
1023N28Very low29.6Very low165 Ų165140.9 Ų140.988%0.88276%0.756SS**  trans-148.473140.3-140-19.6000114.3
1024N28.5Very low29.3Very low153 Ų153140.2 Ų140.282%0.81875%0.753SS**  trans-148.376.5169.6-151.62.3000110.3
1025N32.3Very low28.9Very low135 Ų135140.4 Ų140.472%0.72276%0.758SS**  trans176.8124.9149.6-95.2-42.6000113.7
1026N31.8Very low28.7Very low126 Ų126139.7 Ų139.767%0.67476%0.759SS**  trans56.4107.8140.2-57.1-40000121.7
1027N28Very low28.4Very low145 Ų145140.6 Ų140.678%0.77576%0.763SS**  3699113.6-62.6-37.8000118.4
1028K30.5Very low28.4Very low187 Ų187141.7 Ų141.781%0.81377%0.768SS**  172.5148106.6-96.1173.2-178.9176.90115
1029T28.8Very low28.2Very low107 Ų107143.2 Ų143.266%0.65677%0.773SS**  trans50.4115.314658.10000121.5
1030N27.4Very low28.2Very low136 Ų136142.6 Ų142.673%0.72777%0.77SS**  87120.6119.9-65.26.7000121.4
1031T28Very low28.3Very low115 Ų115139.4 Ų139.471%0.70676%0.76SS**  79.1118.1129.554.80000121.6
1032T27.7Very low28.4Very low108 Ų108136.6 Ų136.666%0.66375%0.75SS**  81.1113129.353.80000121.3
1033N28.1Very low28.4Very low131 Ų131134.4 Ų134.470%0.70174%0.74SS**  96.1117.9120.8-67.35.1000120.6
1034N28.2Very low28.4Very low123 Ų123133.9 Ų133.966%0.65874%0.737SS**  85.990.2123.4-65.96.3000121.5
1035T27.3Very low28.5Very low121 Ų121134.1 Ų134.174%0.74274%0.738SS**  70.9162.1116.756.40000121.8
1036T26.1Very low28.2Very low113 Ų113137.5 Ų137.569%0.69375%0.746SS**  trans76.694.4164.552.80000118.9
1037N25.2Very low27.9Very low150 Ų150137.5 Ų137.580%0.80275%0.751SS**  48.2120.2119.4-51.8-3.4000119.6
1038T28.1Very low27.8Very low143 Ų143138.9 Ų138.988%0.87775%0.746SS**  trans-154.1154.2133.6-5.90000112.4
1039T25.7Very low27.6Very low131 Ų131137.1 Ų137.180%0.80474%0.739SS**  trans-91.3125.6-173.344.20000113.9
1040I30.9Very low27.3Very low157 Ų157141.7 Ų141.781%0.80574%0.744SS**  trans-142.4123.1151.9-73.9102000104.4
1041N27.8Very low27.1Very low132 Ų132144.3 Ų144.371%0.70674%0.743SS**  cis93.1143.134.8-161.721.9000113.9
1042N30.8Very low26.9Very low118 Ų118147.2 Ų147.263%0.63175%0.747SS**  trans70106174.2-67.5-39.6000120.7
1043N27.1Very low26.9Very low127 Ų127149.9 Ų149.968%0.67976%0.757SS**  38.3113.5114.6-56.2-35.2000119.6
1044N27.9Very low26.8Very low153 Ų153150.2 Ų150.282%0.81876%0.758SS**  -176.6178.3105.5-92.2-30.7000112.7
1045N31.5Very low26.6Very low159 Ų159151.8 Ų151.885%0.8577%0.766SS**  trans8180.9173.2-57.1-7000117.5
1046K25.7Very low26.6Very low206 Ų206154.9 Ų154.990%0.89677%0.766SS**  trans-77166.5143.2-72.3176.4177.81710109.5
1047V25.7Very low26.7Very low126 Ų126155.5 Ų155.576%0.76477%0.771SS**  trans117.3104.7162.6174.70000113.9
1048Y24.3Very low26.6Very low174 Ų174155.4 Ų155.468%0.68277%0.77SS**  trans37.3118.1149.4-67.5-108.5000120.9
1049K26.3Very low26.5Very low150 Ų150156.8 Ų156.865%0.65277%0.769SS**  -147.6150122.6-153.1151.4-171.4171.60112E1009E1009-K1049 IonicContact OE1-NZ 2.76Å; E1009-K1049 PolarHBondContact OE1-NZ 3.25Å; E1009-K1049 IonicContact OE2-NZ 3.48Å; E1009-K1049 PolarHBondContact OE2-NZ 2.97Å
1050R22.7Very low26.6Very low202 Ų202157.6 Ų157.676%0.76277%0.768SS**  trans-109.7132.4168.7-56.4173.4-175.4152.9-2.5108
1051R23.4Very low26.4Very low191 Ų191156.2 Ų156.272%0.72176%0.762SS**  177.3169128.3-102.6177.8175.8157.6-0.1111.8
1052F24.4Very low26.3Very low177 Ų177153 Ų15378%0.77675%0.75SS**  trans-37.7141.4171.6-72.1-112.7000115.5L1054F1052-L1054 HydrophobicContact CD1-CD1 4.02Å
1053D28.2Very low26.1Very low163 Ų163152.6 Ų152.687%0.87275%0.748SS**  trans-127.6120.1145-105-46.9000109.2
1054L24.6Very low26.1Very low138 Ų138150.2 Ų150.272%0.72374%0.741SS**  trans-96.4103.9159.9-96.176.2000107F1052F1052-L1054 HydrophobicContact CD1-CD1 4.02Å
1055N25.8Very low26.1Very low157 Ų157147.2 Ų147.284%0.8472%0.724SS**  trans-172.4149.1137-96.3-44.8000113.5
1056Y26.8Very low25.9Very low186 Ų186143.2 Ų143.273%0.72970%0.7SS**  trans-51.4155.6-176.6-85.8-81000116.6L1058Y1056-L1058 HydrophobicContact CD1-CD1 4.1Å; Y1056-L1058 HydrophobicContact CD1-CD2 4.49Å; Y1056-L1058 HydrophobicContact CD1-CG 3.69Å; Y1056-L1058 HydrophobicContact CE1-CD1 4.14Å; Y1056-L1058 HydrophobicContact CE1-CD2 4.04Å; Y1056-L1058 HydrophobicContact CE1-CG 3.71Å
1057P27.4Very low26.1Very low125 Ų125139.4 Ų139.481%0.81269%0.69SS**  -129.8140.794.635.5-28000116M1059P1057-M1059 PolarHBondContact O-N 3.42Å
1058L23.7Very low26.3Very low148 Ų148140.7 Ų140.778%0.77569%0.686SS**  trans-75.591.3172.5-76.2137.8000111.6Y1056Y1056-L1058 HydrophobicContact CD1-CD1 4.1Å; Y1056-L1058 HydrophobicContact CD1-CD2 4.49Å; Y1056-L1058 HydrophobicContact CD1-CG 3.69Å; Y1056-L1058 HydrophobicContact CE1-CD1 4.14Å; Y1056-L1058 HydrophobicContact CE1-CD2 4.04Å; Y1056-L1058 HydrophobicContact CE1-CG 3.71Å
1059M25.3Very low26.6Very low172 Ų172136.6 Ų136.685%0.84767%0.674SS**SBendtrans-156.4-32.8160.2-124.2168.5-178.500117.8P1057P1057-M1059 PolarHBondContact O-N 3.42Å
1060N28.3Very low26.8Very low149 Ų149133.2 Ų133.280%0.79766%0.663SS**SBendtrans-91.71.1-174.5-88.9-26.2000115.8
1061L26.5Very low27Very low128 Ų128127.8 Ų127.867%0.6766%0.656SS**Hα-helixtrans-78.2-22.4-173.3-140.377.3000114.2S1064 L1065L1061-S1064 PolarHBondContact O-N 3.46Å; L1061-L1065 HydrophobicContact CD2-CD1 3.91Å; L1061-L1065 HydrophobicContact CG-CD1 3.87Å; L1061-L1065 WeakPolarHBondContact O-CB 3.29Å; L1061-L1065 PolarHBondContact O-N 3.41Å
1062S25.6Very low27.2Very low64 Ų64122.5 Ų122.545%0.44865%0.649SS.*Hα-helixtrans-60.4-56.7-177.550.30000112.5S1064 L1065 E1066S1062-S1064 PolarHBondContact O-N 2.93Å; S1062-L1065 PolarHBondContact O-N 3.47Å; S1062-L1065 VanDerWaalsContact O-N 3.14Å; S1062-E1066 WeakPolarHBondContact O-CG 3.39Å; S1062-E1066 PolarHBondContact O-N 3.11Å
1063N26.9Very low27.3Very low110 Ų110119.3 Ų119.359%0.58864%0.635SS**Hα-helixtrans-67.5-23.5-174.9-63.2-2.9000112.3N1067N1063-N1067 PolarHBondContact O-ND2 3.43Å
1064S27.2Very low27.2Very low77 Ų77114.8 Ų114.854%0.53861%0.609SS.*Hα-helixtrans-79.3-43.2172.3-158.30000111.4L1061 S1062 E1066 N1067 F1068L1061-S1064 PolarHBondContact O-N 3.46Å; S1062-S1064 PolarHBondContact O-N 2.93Å; S1064-E1066 PolarHBondContact O-N 3.08Å; S1064-N1067 PolarHBondContact O-N 2.66Å; S1064-F1068 WeakPolarHBondContact O-CB 3.48Å; S1064-F1068 PolarHBondContact O-N 3.48Å
1065L28.2Very low27.2Very low90 Ų90115.6 Ų115.647%0.47161%0.607SS.*Hα-helixtrans-59-42.4174.5-108.973.3000112.4L1061 S1062 N1067 F1068 I1069L1061-L1065 HydrophobicContact CD2-CD1 3.91Å; L1061-L1065 HydrophobicContact CG-CD1 3.87Å; L1061-L1065 WeakPolarHBondContact O-CB 3.29Å; L1061-L1065 PolarHBondContact O-N 3.41Å; S1062-L1065 PolarHBondContact O-N 3.47Å; S1062-L1065 VanDerWaalsContact O-N 3.14Å; L1065-N1067 PolarHBondContact O-N 2.88Å; L1065-F1068 PolarHBondContact O-N 3.03Å; L1065-I1069 HydrophobicContact CB-CD1 4.18Å; L1065-I1069 HydrophobicContact CD2-CD1 4.32Å; L1065-I1069 HydrophobicContact CG-CD1 4.3Å; L1065-I1069 VanDerWaalsContact O-CB 3.26Å; L1065-I1069 WeakPolarHBondContact O-CB 3.4Å; L1065-I1069 WeakPolarHBondContact O-CD1 3.2Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.48Å; L1065-I1069 PolarHBondContact O-N 2.89Å
1066E27.5Very low27.2Very low74 Ų74115.5 Ų115.535%0.34660%0.603SS.*Hα-helixtrans-60.3-48.7-179.2-62-133.487.900111.9R194 S1062 S1064 F1068 I1069 D1070R194-E1066 VanDerWaalsContact CD-OE1 3.24Å; R194-E1066 WeakPolarHBondContact CD-OE1 3.28Å; R194-E1066 WeakPolarHBondContact CD-OE2 2.95Å; R194-E1066 IonicContact CZ-OE1 2.7Å; R194-E1066 IonicContact CZ-OE2 2.67Å; R194-E1066 IonicContact NE-OE1 2.75Å; R194-E1066 PolarHBondContact NE-OE1 3.19Å; R194-E1066 IonicContact NE-OE2 3.09Å; R194-E1066 IonicContact NH1-OE1 3.11Å; R194-E1066 PolarHBondContact NH1-OE1 3.41Å; R194-E1066 IonicContact NH1-OE2 3.85Å; R194-E1066 PolarHBondContact NH1-OE2 3.3Å; R194-E1066 IonicContact NH2-OE1 2.59Å; S1062-E1066 WeakPolarHBondContact O-CG 3.39Å; S1062-E1066 PolarHBondContact O-N 3.11Å; S1064-E1066 PolarHBondContact O-N 3.08Å; E1066-F1068 VanDerWaalsContact C-N 3.3Å; E1066-F1068 PolarHBondContact O-N 3.48Å; E1066-I1069 PolarHBondContact O-N 3.24Å; E1066-D1070 PolarHBondContact O-N 3.36Å
1067N28.9Very low27.1Very low127 Ų127109.3 Ų109.368%0.67959%0.587SS**Hα-helixtrans-64.7-33.1177.6-74.8-60.1000112.4N1063 S1064 L1065 S1071N1063-N1067 PolarHBondContact O-ND2 3.43Å; S1064-N1067 PolarHBondContact O-N 2.66Å; L1065-N1067 PolarHBondContact O-N 2.88Å; N1067-S1071 WeakPolarHBondContact O-CB 3.21Å; N1067-S1071 PolarHBondContact O-N 2.97Å
1068F30Very low27Very low153 Ų153106.6 Ų106.667%0.67157%0.568SS**Hα-helixtrans-73.1-43.1175.6-142.4-94.6000111.9S1064 L1065 E1066 D1070 S1071 S1072S1064-F1068 WeakPolarHBondContact O-CB 3.48Å; S1064-F1068 PolarHBondContact O-N 3.48Å; L1065-F1068 PolarHBondContact O-N 3.03Å; E1066-F1068 VanDerWaalsContact C-N 3.3Å; E1066-F1068 PolarHBondContact O-N 3.48Å; F1068-D1070 PolarHBondContact O-N 3.21Å; F1068-S1071 WeakPolarHBondContact O-CB 3.22Å; F1068-S1071 PolarHBondContact O-N 3.47Å; F1068-S1071 VanDerWaalsContact O-N 3.17Å; F1068-S1072 WeakPolarHBondContact O-CB 3.35Å; F1068-S1072 PolarHBondContact O-N 3.3Å; F1068-S1072 PolarHBondContact O-OG 3.49Å
1069I31.3Very low27Very low87 Ų87106.8 Ų106.845%0.44657%0.569SS.*Hα-helixtrans-65.2-35.1-177.1-74.6165.9000112.4L1065 E1066 K1073L1065-I1069 HydrophobicContact CB-CD1 4.18Å; L1065-I1069 HydrophobicContact CD2-CD1 4.32Å; L1065-I1069 HydrophobicContact CG-CD1 4.3Å; L1065-I1069 VanDerWaalsContact O-CB 3.26Å; L1065-I1069 WeakPolarHBondContact O-CB 3.4Å; L1065-I1069 WeakPolarHBondContact O-CD1 3.2Å; L1065-I1069 WeakPolarHBondContact O-CG1 3.48Å; L1065-I1069 PolarHBondContact O-N 2.89Å; E1066-I1069 PolarHBondContact O-N 3.24Å; I1069-K1073 WeakPolarHBondContact O-CE 3.5Å; I1069-K1073 WeakPolarHBondContact O-CG 3.42Å
1070D29.5Very low27Very low79 Ų79104.3 Ų104.342%0.42256%0.56SS.*Hα-helixtrans-78.6-28.2173.6-89.6-12.4000113.5E1066 F1068 K1073E1066-D1070 PolarHBondContact O-N 3.36Å; F1068-D1070 PolarHBondContact O-N 3.21Å; D1070-K1073 WeakPolarHBondContact OD1-CE 3.2Å; D1070-K1073 IonicContact OD1-NZ 2.74Å; D1070-K1073 PolarHBondContact OD1-NZ 2.95Å
1071S27.5Very low26.9Very low88 Ų88103.4 Ų103.462%0.61555%0.553SS**Hα-helixtrans-68.1-38.7170.7-161.10000112.1N1067 F1068 K1073N1067-S1071 WeakPolarHBondContact O-CB 3.21Å; N1067-S1071 PolarHBondContact O-N 2.97Å; F1068-S1071 WeakPolarHBondContact O-CB 3.22Å; F1068-S1071 PolarHBondContact O-N 3.47Å; F1068-S1071 VanDerWaalsContact O-N 3.17Å; S1071-K1073 VanDerWaalsContact C-N 3.29Å; S1071-K1073 PolarHBondContact O-N 2.8Å
1072S27.9Very low26.8Very low81 Ų81104.6 Ų104.657%0.56655%0.553SS**THydrogen-bonded Turntrans-70.3-10.4-177.1-63.30000115.8F1068 M1074F1068-S1072 WeakPolarHBondContact O-CB 3.35Å; F1068-S1072 PolarHBondContact O-N 3.3Å; F1068-S1072 PolarHBondContact O-OG 3.49Å; S1072-M1074 PolarHBondContact O-N 3.24Å
1073K26Very low26.8Very low109 Ų109112 Ų11247%0.47457%0.573SS.*THydrogen-bonded Turntrans-75.515.1-177.6-73.3165.1-169.2166.40114.7M1 I1069 D1070 S1071M1-K1073 HydrophobicContact CE-CB 4.03Å; M1-K1073 HydrophobicContact CE-CG 4.13Å; I1069-K1073 WeakPolarHBondContact O-CE 3.5Å; I1069-K1073 WeakPolarHBondContact O-CG 3.42Å; D1070-K1073 WeakPolarHBondContact OD1-CE 3.2Å; D1070-K1073 IonicContact OD1-NZ 2.74Å; D1070-K1073 PolarHBondContact OD1-NZ 2.95Å; S1071-K1073 VanDerWaalsContact C-N 3.29Å; S1071-K1073 PolarHBondContact O-N 2.8Å
1074M26.1Very low26.7Very low69 Ų69112.6 Ų112.634%0.3457%0.57SS.*SBendtrans-107.6114.2-174.5-104.8-68.3-167.300113.9Q529 S1072Q529-M1074 VanDerWaalsContact O-CE 3.32Å; Q529-M1074 WeakPolarHBondContact O-CE 3.4Å; S1072-M1074 PolarHBondContact O-N 3.24Å
1075K25.9Very low26.5Very low155 Ų155115.1 Ų115.167%0.67459%0.586SS**  trans62.788.1163.2-57.9-179.2-179.4-177.10118.2
1076M23.8Very low26.4Very low155 Ų155118.8 Ų118.876%0.76460%0.598SS**  trans-111.3115.6130.6-170.270.184.700107.5
1077S25.4Very low26.3Very low56 Ų56119.7 Ų119.739%0.39261%0.613SS.*  trans-107.1103.5-176.549.10000111.5F1346S1077-F1346 VanDerWaalsContact CB-CE1 3.46Å
1078T24.7Very low26.1Very low67 Ų67120.7 Ų120.741%0.41162%0.618SS.*  trans27.510214950.30000117.7P2P2-T1078 HydrophobicContact CG-CG2 4.4Å
1079L23.8Very low25.9Very low152 Ų152120.7 Ų120.780%0.79662%0.624SS**  trans-111.758.4157.8-112.5165.5000109.9I1081L1079-I1081 VanDerWaalsContact C-N 3.28Å; L1079-I1081 HydrophobicContact CD2-CD1 3.73Å; L1079-I1081 HydrophobicContact CD2-CG1 3.79Å; L1079-I1081 PolarHBondContact O-N 3.5Å
1080D25.9Very low25.6Very low120 Ų120122.4 Ų122.464%0.64264%0.635SS**  trans-70.475.7173-85.8-34.9000109.9K5K5-D1080 IonicContact NZ-OD2 2.64Å; K5-D1080 PolarHBondContact NZ-OD2 3.41Å
1081I25.3Very low25.5Very low130 Ų130125.7 Ų125.767%0.66765%0.651SS**  trans-81.8115171.7-63.7-178000109.7L1079 Y1083L1079-I1081 VanDerWaalsContact C-N 3.28Å; L1079-I1081 HydrophobicContact CD2-CD1 3.73Å; L1079-I1081 HydrophobicContact CD2-CG1 3.79Å; L1079-I1081 PolarHBondContact O-N 3.5Å; I1081-Y1083 HydrophobicContact CG2-CD2 4.17Å
1082K24.5Very low25.5Very low153 Ų153128.5 Ų128.567%0.66566%0.659SS**  trans-119.586.3-173.8-168.9167.7-174.8165.50112.9D380D380-K1082 IonicContact OD2-NZ 2.87Å; D380-K1082 PolarHBondContact OD2-NZ 2.89Å
1083Y27.1Very low25.4Very low219 Ų219133.7 Ų133.786%0.85967%0.674SS**  trans-132.8133164.3-67.2-79.6000108.1I1081I1081-Y1083 HydrophobicContact CG2-CD2 4.17Å
1084K24.1Very low25.5Very low124 Ų124136 Ų13654%0.53969%0.686SS.*  cis89.250.55.1-147.2-146172.5-167.40119.5L1339K1084-L1339 HydrophobicContact CD-CD1 4.36Å
1085C24Very low25.7Very low129 Ų129140.1 Ų140.187%0.87271%0.71SS**  trans-125.9135134.4-64.50000105.7
1086K24.9Very low25.7Very low167 Ų167136 Ų13673%0.72671%0.711SS**  cis78.382.313.3-144.3-160.4177.1-161.40116.8
1087S25Very low25.8Very low94 Ų94138.8 Ų138.866%0.65772%0.719SS**  trans56.3110148.962.20000119.5
1088L24.6Very low25.8Very low148 Ų148140.9 Ų140.978%0.77573%0.734SS**  trans-143.69.9151-14380.9000115.2D1090L1088-D1090 PolarHBondContact O-N 3.46Å
1089D26.5Very low25.8Very low152 Ų152147.3 Ų147.381%0.81376%0.757SS**  trans-97.466-176.8-58.6-58.7000113.8
1090D24.8Very low25.9Very low123 Ų123143.1 Ų143.166%0.65875%0.75SS**  trans-164.753164.9-100.6-33.9000113.2K370 L1088K370-D1090 IonicContact NZ-OD1 2.69Å; K370-D1090 PolarHBondContact NZ-OD1 3.26Å; K370-D1090 IonicContact NZ-OD2 3.47Å; K370-D1090 PolarHBondContact NZ-OD2 3.37Å; L1088-D1090 PolarHBondContact O-N 3.46Å
1091I26.9Very low25.7Very low148 Ų148144.7 Ų144.776%0.75976%0.757SS**  trans-136138.9168.1-68.6-174.4000109.9
1092N28.4Very low25.7Very low147 Ų147148.9 Ų148.979%0.78677%0.766SS**  trans66.962.4172.1-63-7.1000118.2H1094N1092-H1094 PolarHBondContact O-N 2.64Å
1093Q26Very low25.6Very low191 Ų191146.5 Ų146.589%0.89377%0.768SS**  -66.5103.5129.7-80-175.4-35.200108.6
1094H28.1Very low25.5Very low157 Ų157146.8 Ų146.873%0.72777%0.768SS**  trans166128.8139.4-104.2-80.3000110.9N1092N1092-H1094 PolarHBondContact O-N 2.64Å
1095N29.4Very low25.5Very low155 Ų155147.5 Ų147.583%0.82978%0.777SS**  trans63.8132.5167-42.6-20.9000114.9
1096G26.3Very low25.5Very low69 Ų69150.3 Ų150.371%0.71178%0.778SS**  cis151.8141.2-1.800000110.3
1097K26.5Very low25.5Very low213 Ų213154.4 Ų154.493%0.92679%0.789SS**  trans73.9105.3-179.9-54.2-179.2179.3-1790116.9
1098S24.2Very low25.4Very low101 Ų101155.4 Ų155.471%0.70679%0.786SS**  24.9119.4127.8-172.60000119.3
1099F26.1Very low25.5Very low202 Ų202153.8 Ų153.889%0.88677%0.77SS**  -161.8158.3101.5-112.1-84.4000109.5
1100G24.2Very low25.4Very low64 Ų64153.2 Ų153.266%0.6677%0.767SS**  trans-115.3-151.7-176.700000114.2
1101I23Very low25.5Very low152 Ų152154.5 Ų154.578%0.77978%0.78SS**  trans90.1108.3165.2-57.7178.1000117
1102Y24.9Very low25.4Very low219 Ų219150.6 Ų150.686%0.85978%0.776SS**  trans80.9113.1148.9-79.9-132.3000123
1103S23.3Very low25.3Very low102 Ų102150.6 Ų150.671%0.71378%0.776SS**  14128.1126.1-168.50000119.8
1104R24.1Very low25.3Very low225 Ų225150.8 Ų150.885%0.84977%0.769SS**  -178146.887.9-160.4164.8-172.6154.41.3113.9
1105N24.7Very low25.2Very low139 Ų139149.9 Ų149.974%0.74378%0.779SS**  trans-14.1139.1172.6-49.1-5.3000121.8
1106E24Very low25Very low188 Ų188149.2 Ų149.288%0.87977%0.771SS**  trans-147.2130.6141.4-117.6-166.7172.800110.7
1107W23.8Very low25Very low254 Ų254151.8 Ų151.896%0.96277%0.769SS**  trans-163.761.6-175.5-115.294.9000114.3
1108I24.7Very low24.9Very low115 Ų115150.7 Ų150.759%0.5977%0.767SS**  trans-145.7114.5171.7-34173.6000113H1325I1108-H1325 PolarHBondContact O-NE2 3.13Å
1109Y24.9Very low25Very low113 Ų113151.4 Ų151.444%0.44377%0.772SS.*  165.5115.6119.1-112.4-104.3000112.9H1323 H1324 H1325Y1109-H1323 PolarHBondContact OH-CE1 3.24Å; Y1109-H1323 VanDerWaalsContact OH-CE1 3.31Å; Y1109-H1323 PolarHBondContact OH-ND1 2.82Å; Y1109-H1324 AromaticContact CD2-CE1 3.71Å; Y1109-H1324 AromaticContact CD2-ND1 3.61Å; Y1109-H1324 HydrophobicContact CE2-CB 4.22Å; Y1109-H1324 AromaticContact CE2-CD2 3.77Å; Y1109-H1324 AromaticContact CE2-CE1 3.55Å; Y1109-H1324 AromaticContact CE2-CG 3.54Å; Y1109-H1324 AromaticContact CE2-ND1 3.38Å; Y1109-H1324 WeakPolarHBondContact CE2-ND1 3.13Å; Y1109-H1324 AromaticContact CE2-NE2 3.77Å; Y1109-H1325 WeakPolarHBondContact CB-NE2 3.38Å; Y1109-H1325 AromaticContact CD2-CD2 3.6Å; Y1109-H1325 AromaticContact CD2-NE2 3.01Å; Y1109-H1325 WeakPolarHBondContact CD2-NE2 3.49Å; Y1109-H1325 AromaticContact CE2-CD2 3.87Å; Y1109-H1325 AromaticContact CE2-NE2 3.73Å; Y1109-H1325 AromaticContact CG-CD2 3.79Å; Y1109-H1325 AromaticContact CG-NE2 3.25Å
1110N24.4Very low25.1Very low141 Ų141147.2 Ų147.275%0.75477%0.766SS**  165.8104.7113.2-100.2-50.6000113.2
1111T28.4Very low25Very low150 Ų150152.1 Ų152.192%0.9278%0.778SS**  trans-14670.4155.351.60000110.2
1112G23.8Very low25.2Very low65 Ų65155.1 Ų155.167%0.6778%0.779SS**  trans-82122.7168.400000111
1113N27Very low25.4Very low148 Ų148151.1 Ų151.179%0.79177%0.771SS**  trans-173.5123.3150.9-100.1-38.2000112.4
1114Y25.3Very low25.5Very low194 Ų194154.2 Ų154.276%0.76178%0.78SS**  trans37.7106.9152.8-70.4-88.2000120.2
1115C26.8Very low25.7Very low138 Ų138149 Ų14993%0.93277%0.768SS**  -129.4146.7118.3-1050000108.9
1116Q24.8Very low25.9Very low142 Ų142149.5 Ų149.566%0.66477%0.77SS**  trans-126163.5177.5-125.2-172.5-88.300108.7
1117D26.6Very low26Very low122 Ų122144.5 Ų144.565%0.65276%0.755SS**  trans78.2106.9160.4-48.3-19.9000119.1
1118E24Very low26.1Very low190 Ų190139 Ų13989%0.88874%0.743SS**  trans58.895.3132.9-55.6-162.4129.600120.8
1119S26.1Very low26.4Very low116 Ų116140.9 Ų140.981%0.81176%0.755SS**  trans-152.6149.213735.30000112.6
1120C27.9Very low26.4Very low114 Ų114142.6 Ų142.677%0.7777%0.771SS**  trans5970.3165.7-65.20000119.1R1122C1120-R1122 PolarHBondContact O-N 2.87Å
1121N23.1Very low26.7Very low168 Ų168141.4 Ų141.490%0.89877%0.772SS**  trans-57.9114.6131.6-84.7-40.4000109
1122R26.7Very low26.7Very low215 Ų215143.5 Ų143.581%0.81177%0.771SS**  trans-167.6137.4154-122.8-179.3-83.7-143.8-3113.6C1120C1120-R1122 PolarHBondContact O-N 2.87Å
1123I29Very low26.9Very low135 Ų135143.8 Ų143.869%0.69277%0.774SS**  trans65.6111.6161.5-55.8157.4000114.8D1125I1123-D1125 WeakPolarHBondContact CA-OD2 3.14Å
1124N25.1Very low26.9Very low167 Ų167143.8 Ų143.889%0.89377%0.774SS**  trans-144.784.9166-143.718000107.5
1125D28.5Very low27Very low114 Ų114141.6 Ų141.661%0.6178%0.775SS**  trans-159.7149.3-163.8-48.3-98.1000107I1123I1123-D1125 WeakPolarHBondContact CA-OD2 3.14Å
1126I29.2Very low27.1Very low151 Ų151141.5 Ų141.577%0.77477%0.771SS**  cis-167.4147.8-15.8-114.2165.3000105.5
1127S26.6Very low27.3Very low82 Ų82141.3 Ų141.357%0.57378%0.78SS**  cis-173.5153.3-27.557.90000109.8
1128I26.3Very low27.3Very low138 Ų138141.7 Ų141.771%0.70879%0.786SS**  trans72.8123.5158.3-64.5161.5000116.1
1129N29.6Very low27.5Very low156 Ų156138.4 Ų138.483%0.83478%0.779SS**  -162160.791.4-113.1-45.9000114.8
1130L25.8Very low27.7Very low148 Ų148139 Ų13978%0.77578%0.779SS**  trans-120.2156.2-178.7-62.186.8000112.8
1131C29.9Very low27.8Very low116 Ų116139.1 Ų139.178%0.78478%0.778SS**  trans-172116.2134.6-95.30000109.4
1132H27.8Very low28.1Very low194 Ų194137.2 Ų137.290%0.89877%0.773SS**  69.1118.194.2-86.8-40.1000115.8
1133G28.5Very low28.2Very low71 Ų71132.9 Ų132.973%0.73277%0.77SS**  trans-176.330.3-174.700000120.2
1134N28.3Very low28.3Very low149 Ų149131.9 Ų131.980%0.79777%0.77SS**  trans59.2144.7156.7-66-7.6000124.2
1135N27.2Very low28.4Very low147 Ų147129.4 Ų129.479%0.78676%0.762SS**  trans73.7102148-63.2-7.5000122.6
1136T27.2Very low28.5Very low136 Ų136129.9 Ų129.983%0.83477%0.769SS**  trans-142.3103.7133.626.50000112.4
1137T29.5Very low28.6Very low139 Ų139127.9 Ų127.985%0.85376%0.764SS**  trans33.8121.1146.1560000121.6
1138T27.8Very low29Very low129 Ų129129.6 Ų129.679%0.79177%0.771SS**  trans-102.6141.3160.340.90000112.4
1139T28.3Very low29.4Very low121 Ų121129.2 Ų129.274%0.74277%0.77SS**  trans31.9123.2144.264.50000118.8
1140T29.3Very low29.7Very low129 Ų129127.3 Ų127.379%0.79176%0.76SS**  -172.5165.753.641.70000112.1
1141P29.8Very low30.3Very low116 Ų116126.1 Ų126.175%0.75375%0.754SS**  trans-112.6139.3172.737.4-27.2000115.4
1142T30.5Very low30.6Very low129 Ų129126.5 Ų126.579%0.79175%0.749SS**  trans-164.9120.2156.313.30000115.3
1143T28.4Very low30.9Very low123 Ų123123.2 Ų123.276%0.75574%0.738SS**  trans53.9153.8139.640.80000126
1144T30.7Very low31.2Very low114 Ų114126.5 Ų126.570%0.69974%0.738SS**  trans86.192.8145.931.70000123
1145T28.1Very low31.4Very low116 Ų116125.7 Ų125.771%0.71273%0.734SS**  70.9143.1121.150.10000124.2
1146T30.3Very low31.7Very low123 Ų123125.1 Ų125.176%0.75573%0.731SS**  trans67139.9148.747.30000118.8
1147T31.8Very low31.9Very low110 Ų110126.8 Ų126.868%0.67574%0.735SS**  cis-167.8155.9-8.78.30000110.4
1148T33.6Very low32Very low117 Ų117124.8 Ų124.872%0.71873%0.727SS**  trans61.1155.5160.6570000117.1
1149N35.5Very low32.4Very low131 Ų131125.8 Ų125.870%0.70173%0.727SS**  cis-166.3170.8-13.4-102.85.3000106.6
1150N36.4Very low33Very low115 Ų115126.8 Ų126.862%0.61573%0.728SS**  cis-159.2163.2-0.3-129.12.2000109.9
1151N36.8Very low33.6Very low123 Ų123126 Ų12666%0.65872%0.719SS**  trans63.4144.7156.1-58.7-4.2000118.4
1152N36.1Very low34.1Very low125 Ų125126.8 Ų126.867%0.66872%0.717SS**  cis-157.5155.1-6.2-115.9-6.5000113
1153N35.4Very low35Very low125 Ų125124.9 Ų124.967%0.66870%0.702SS**  trans69114.7153.3-63.4-7.7000122.2
1154N34.6Very low35.7Very low139 Ų139128.1 Ų128.174%0.74370%0.7SS**  trans72.8138.8139.7-56.2-21.1000121.1
1155N33.1Very low36.3Very low133 Ų133127.5 Ų127.571%0.71169%0.692SS**  cis-170.2158.6-46.9-117.2-22.9000108.8
1156N32Very low37.3Very low135 Ų135125.8 Ų125.872%0.72268%0.682SS**  trans62.381.9161.5-55.5-13.5000118.7
1157N32.1Very low38.4Very low170 Ų170125.9 Ų125.991%0.90967%0.672SS**  17187.6123.6-87.4-21.5000111.8
1158S30.8Very low39.2Very low97 Ų97126.3 Ų126.368%0.67867%0.666SS**  trans-160.6114.5168.9-174.40000110.9
1159N37.4Very low40.2Very low151 Ų151125.4 Ų125.481%0.80766%0.657SS**SBendtrans-163.6-22.5162.6-105.9-22.3000114.5N1161N1159-N1161 PolarHBondContact O-N 3.49Å
1160D41Very low41.3Very low142 Ų142125.9 Ų125.976%0.75966%0.655SS**SBendtrans-76.6-15.5-178.6-72.5-49.4000115.6
1161N41.1Very low41.9Very low111 Ų111126 Ų12659%0.59466%0.655SS**Hα-helixtrans-78.4-32.5-167-75.7-27.2000114.6N1159N1159-N1161 PolarHBondContact O-N 3.49Å
1162N41.4Very low42.8Very low133 Ų133124.4 Ų124.471%0.71165%0.645SS**Hα-helixtrans-72.3-34.9-176.3-72.4-14.6000112.4R1164 L1165 T1166N1162-R1164 VanDerWaalsContact C-N 3.27Å; N1162-R1164 PolarHBondContact O-N 3.06Å; N1162-L1165 PolarHBondContact O-N 3.44Å; N1162-T1166 PolarHBondContact O-N 3.31Å
1163D48.2Very low43.5Very low90 Ų90122.1 Ų122.148%0.48164%0.639SS.*Hα-helixtrans-76.1-15.7-176.7-155.155.4000113T1166 K1167D1163-T1166 PolarHBondContact O-OG1 2.83Å; D1163-K1167 WeakPolarHBondContact O-CD 3.42Å; D1163-K1167 WeakPolarHBondContact O-CG 3.41Å; D1163-K1167 IonicContact OD2-NZ 3.74Å; D1163-K1167 PolarHBondContact OD2-NZ 3.26Å
1164R43.1Very low44.5Very low190 Ų190119.6 Ų119.672%0.71763%0.628SS**Hα-helixtrans-72.9-42.2166.2-81.7-177.7160.8-166.4-5.9112N1162 K1167 Q1168N1162-R1164 VanDerWaalsContact C-N 3.27Å; N1162-R1164 PolarHBondContact O-N 3.06Å; R1164-K1167 PolarHBondContact O-N 2.88Å; R1164-Q1168 WeakPolarHBondContact O-CB 3.46Å; R1164-Q1168 PolarHBondContact O-N 2.91Å
1165L43.4Very low45.1Very low101 Ų101118.2 Ų118.253%0.52962%0.62SS.*Hα-helixtrans-69.3-38.8-171.8-160.173.7000112.4N1162 Q1168 N1169N1162-L1165 PolarHBondContact O-N 3.44Å; L1165-Q1168 PolarHBondContact O-N 3.5Å; L1165-N1169 PolarHBondContact O-N 3.05Å; L1165-N1169 PolarHBondContact O-ND2 2.92Å
1166T49.1Very low46Very low81 Ų81119.3 Ų119.350%0.49762%0.619SS.*Hα-helixtrans-62.2-48.817344.90000111.8N1162 D1163 Q1168 N1169 Q1170N1162-T1166 PolarHBondContact O-N 3.31Å; D1163-T1166 PolarHBondContact O-OG1 2.83Å; T1166-Q1168 VanDerWaalsContact C-N 3.3Å; T1166-Q1168 PolarHBondContact O-N 2.86Å; T1166-N1169 PolarHBondContact O-N 3.41Å; T1166-Q1170 WeakPolarHBondContact O-CB 3.44Å; T1166-Q1170 PolarHBondContact O-N 3.47Å
1167K54.4Low47.3Very low125 Ų125117.3 Ų117.354%0.54361%0.612SS.*Hα-helixtrans-60.9-38.1177-72.5171.5-177.8152.90112.2D1163 R1164 L1171D1163-K1167 WeakPolarHBondContact O-CD 3.42Å; D1163-K1167 WeakPolarHBondContact O-CG 3.41Å; D1163-K1167 IonicContact OD2-NZ 3.74Å; D1163-K1167 PolarHBondContact OD2-NZ 3.26Å; R1164-K1167 PolarHBondContact O-N 2.88Å; K1167-L1171 PolarHBondContact O-N 3.18Å; K1167-L1171 VanDerWaalsContact O-N 3.1Å
1168Q47.9Very low48.1Very low119 Ų119114 Ų11456%0.55659%0.594SS**Hα-helixtrans-66-45.9177.1-164168.914.300112.1R1164 L1165 T1166 L1171 I1172R1164-Q1168 WeakPolarHBondContact O-CB 3.46Å; R1164-Q1168 PolarHBondContact O-N 2.91Å; L1165-Q1168 PolarHBondContact O-N 3.5Å; T1166-Q1168 VanDerWaalsContact C-N 3.3Å; T1166-Q1168 PolarHBondContact O-N 2.86Å; Q1168-L1171 WeakPolarHBondContact O-CB 3.45Å; Q1168-L1171 PolarHBondContact O-N 2.95Å; Q1168-I1172 WeakPolarHBondContact O-CG1 3.45Å; Q1168-I1172 PolarHBondContact O-N 3.45Å
1169N55.1Low48.7Very low98 Ų98114.3 Ų114.352%0.52458%0.583SS.*Hα-helixtrans-65.7-37.7176.9-73.9-26.6000112.9L1165 T1166 L1171 I1172 S1173L1165-N1169 PolarHBondContact O-N 3.05Å; L1165-N1169 PolarHBondContact O-ND2 2.92Å; T1166-N1169 PolarHBondContact O-N 3.41Å; N1169-L1171 VanDerWaalsContact C-N 3.35Å; N1169-I1172 PolarHBondContact O-N 3.03Å; N1169-S1173 PolarHBondContact O-N 2.87Å; N1169-S1173 VanDerWaalsContact O-N 3.16Å
1170Q58.4Low49.6Very low141 Ų141112.5 Ų112.566%0.65957%0.57SS**Hα-helixtrans-66.2-38.4177.4-158.6167.318.200111.5T1166 I1172 S1173 T1174T1166-Q1170 WeakPolarHBondContact O-CB 3.44Å; T1166-Q1170 PolarHBondContact O-N 3.47Å; Q1170-I1172 PolarHBondContact O-N 3.28Å; Q1170-S1173 PolarHBondContact O-N 3.5Å; Q1170-T1174 PolarHBondContact O-N 3.01Å; Q1170-T1174 PolarHBondContact O-OG1 2.81Å; Q1170-T1174 VanDerWaalsContact O-OG1 3.06Å
1171L49.6Very low50.2Low117 Ų117111.7 Ų111.761%0.61356%0.561SS**Hα-helixtrans-60.2-43.8173.1-155.389.9000112.2K1167 Q1168 N1169 S1173 T1174 L1175K1167-L1171 PolarHBondContact O-N 3.18Å; K1167-L1171 VanDerWaalsContact O-N 3.1Å; Q1168-L1171 WeakPolarHBondContact O-CB 3.45Å; Q1168-L1171 PolarHBondContact O-N 2.95Å; N1169-L1171 VanDerWaalsContact C-N 3.35Å; L1171-S1173 PolarHBondContact O-N 3.01Å; L1171-T1174 PolarHBondContact O-N 3.18Å; L1171-L1175 HydrophobicContact CD2-CD1 4.4Å; L1171-L1175 WeakPolarHBondContact O-CG 3.36Å; L1171-L1175 PolarHBondContact O-N 3.47Å
1172I55.4Low50.4Low89 Ų89109.1 Ų109.146%0.45655%0.55SS..Hα-helixtrans-62.2-42.5179.5-68.1164.3000111.2Q1168 N1169 Q1170 T1174 L1175 F1176Q1168-I1172 WeakPolarHBondContact O-CG1 3.45Å; Q1168-I1172 PolarHBondContact O-N 3.45Å; N1169-I1172 PolarHBondContact O-N 3.03Å; Q1170-I1172 PolarHBondContact O-N 3.28Å; I1172-T1174 PolarHBondContact O-N 2.83Å; I1172-L1175 PolarHBondContact O-N 3.39Å; I1172-F1176 PolarHBondContact O-N 2.93Å; I1172-F1176 VanDerWaalsContact O-N 3.09Å
1173S51.3Low50.8Low77 Ų77102.9 Ų102.954%0.53852%0.517SS..Hα-helixtrans-62.4-41.7176.9-174.90000112.6N1169 Q1170 L1171 F1176 T1177N1169-S1173 PolarHBondContact O-N 2.87Å; N1169-S1173 VanDerWaalsContact O-N 3.16Å; Q1170-S1173 PolarHBondContact O-N 3.5Å; L1171-S1173 PolarHBondContact O-N 3.01Å; S1173-F1176 PolarHBondContact O-N 3.17Å; S1173-T1177 PolarHBondContact O-N 2.75Å; S1173-T1177 PolarHBondContact O-OG1 2.97Å
1174T56Low51.2Low73 Ų73102.5 Ų102.545%0.44851%0.514SS..Hα-helixtrans-69.7-32.7177.5-48.40000112.7Q1170 L1171 I1172 T1177 N1178Q1170-T1174 PolarHBondContact O-N 3.01Å; Q1170-T1174 PolarHBondContact O-OG1 2.81Å; Q1170-T1174 VanDerWaalsContact O-OG1 3.06Å; L1171-T1174 PolarHBondContact O-N 3.18Å; I1172-T1174 PolarHBondContact O-N 2.83Å; T1174-T1177 PolarHBondContact O-OG1 3.48Å; T1174-N1178 PolarHBondContact O-N 2.9Å; T1174-N1178 PolarHBondContact O-ND2 2.85Å
1175L46.8Very low51.8Low109 Ų10998.8 Ų98.857%0.57151%0.505SS*.Hα-helixtrans-64.9-42.8171.9-76.2163.5000111.6L1171 I1172 T1177 F1179L1171-L1175 HydrophobicContact CD2-CD1 4.4Å; L1171-L1175 WeakPolarHBondContact O-CG 3.36Å; L1171-L1175 PolarHBondContact O-N 3.47Å; I1172-L1175 PolarHBondContact O-N 3.39Å; L1175-T1177 PolarHBondContact O-N 3.32Å; L1175-F1179 WeakPolarHBondContact O-CB 3.36Å; L1175-F1179 PolarHBondContact O-N 3Å
1176F51.5Low52.3Low157 Ų15796.8 Ų96.869%0.68949%0.494SS*.Hα-helixtrans-65.4-39.1-177.9-126.2-82.6000113.4I1172 S1173 H1180I1172-F1176 PolarHBondContact O-N 2.93Å; I1172-F1176 VanDerWaalsContact O-N 3.09Å; S1173-F1176 PolarHBondContact O-N 3.17Å; F1176-H1180 PolarHBondContact O-N 3.09Å
1177T59.8Low52.8Low92 Ų9296.5 Ų96.556%0.56449%0.493SS*.Hα-helixtrans-68.8-46.817828.70000112S1173 T1174 L1175 F1179 H1180 Q1181S1173-T1177 PolarHBondContact O-N 2.75Å; S1173-T1177 PolarHBondContact O-OG1 2.97Å; T1174-T1177 PolarHBondContact O-OG1 3.48Å; L1175-T1177 PolarHBondContact O-N 3.32Å; T1177-F1179 VanDerWaalsContact C-N 3.34Å; T1177-F1179 PolarHBondContact O-N 2.92Å; T1177-H1180 PolarHBondContact O-N 3.24Å; T1177-Q1181 PolarHBondContact O-N 2.96Å
1178N49.2Very low53.4Low100 Ų10095.7 Ų95.754%0.53549%0.493SS..Hα-helixtrans-61.4-39.9176.8-75.4-45.9000112.5T1174 H1180 Q1181 T1182T1174-N1178 PolarHBondContact O-N 2.9Å; T1174-N1178 PolarHBondContact O-ND2 2.85Å; N1178-H1180 VanDerWaalsContact C-N 3.31Å; N1178-H1180 PolarHBondContact O-N 2.99Å; N1178-Q1181 PolarHBondContact O-N 3.41Å; N1178-T1182 PolarHBondContact O-N 3.04Å; N1178-T1182 PolarHBondContact O-OG1 3.22Å
1179F43.2Very low53.9Low105 Ų10595 Ų9546%0.46149%0.492SS..Hα-helixtrans-60-39175.8-176.2-98.2000112.4L1175 T1177 Q1181 T1182 Q1183L1175-F1179 WeakPolarHBondContact O-CB 3.36Å; L1175-F1179 PolarHBondContact O-N 3Å; T1177-F1179 VanDerWaalsContact C-N 3.34Å; T1177-F1179 PolarHBondContact O-N 2.92Å; F1179-Q1181 VanDerWaalsContact C-N 3.28Å; F1179-Q1181 PolarHBondContact O-N 3.45Å; F1179-T1182 PolarHBondContact O-OG1 3.33Å; F1179-Q1183 HydrophobicContact CD1-CG 4.41Å; F1179-Q1183 HydrophobicContact CE1-CG 4.09Å; F1179-Q1183 HydrophobicContact CZ-CG 4.28Å; F1179-Q1183 WeakPolarHBondContact O-CG 3.33Å; F1179-Q1183 PolarHBondContact O-N 3.43Å
1180H55.1Low54.1Low112 Ų11297.4 Ų97.452%0.51950%0.498SS..Hα-helixtrans-70.2-25.2179.2-157.4-56.2000112.8F1176 T1177 N1178F1176-H1180 PolarHBondContact O-N 3.09Å; T1177-H1180 PolarHBondContact O-N 3.24Å; N1178-H1180 VanDerWaalsContact C-N 3.31Å; N1178-H1180 PolarHBondContact O-N 2.99Å
1181Q55.4Low54.6Low125 Ų12593 Ų9358%0.58448%0.483SS*.Hα-helixtrans-77.9-45.2178.2-172.4162.5-26.600112.4T1177 N1178 F1179 Q1183 N1184 E1185T1177-Q1181 PolarHBondContact O-N 2.96Å; N1178-Q1181 PolarHBondContact O-N 3.41Å; F1179-Q1181 VanDerWaalsContact C-N 3.28Å; F1179-Q1181 PolarHBondContact O-N 3.45Å; Q1181-Q1183 VanDerWaalsContact C-N 3.26Å; Q1181-Q1183 PolarHBondContact O-N 3.37Å; Q1181-N1184 WeakPolarHBondContact O-CB 3.42Å; Q1181-N1184 PolarHBondContact O-N 3.27Å; Q1181-N1184 VanDerWaalsContact O-N 3.08Å; Q1181-E1185 PolarHBondContact O-N 3.46Å
1182T44.4Very low55.5Low57 Ų5791.8 Ų91.835%0.3547%0.474SS..Hα-helixtrans-62.3-32.4177.145.30000112.9N1178 F1179 N1184 E1185 I1186N1178-T1182 PolarHBondContact O-N 3.04Å; N1178-T1182 PolarHBondContact O-OG1 3.22Å; F1179-T1182 PolarHBondContact O-OG1 3.33Å; T1182-N1184 VanDerWaalsContact C-N 3.27Å; T1182-N1184 PolarHBondContact O-N 2.69Å; T1182-E1185 PolarHBondContact O-N 3.04Å; T1182-I1186 WeakPolarHBondContact O-CG1 3.41Å; T1182-I1186 PolarHBondContact O-N 3.05Å
1183Q50.3Low55.7Low3 Ų392.2 Ų92.21%0.01448%0.477CS..Hα-helixtrans-63.1-29.7174.5-69.5-58.3-22.100113.8F1179 Q1181 T1187 T1321F1179-Q1183 HydrophobicContact CD1-CG 4.41Å; F1179-Q1183 HydrophobicContact CE1-CG 4.09Å; F1179-Q1183 HydrophobicContact CZ-CG 4.28Å; F1179-Q1183 WeakPolarHBondContact O-CG 3.33Å; F1179-Q1183 PolarHBondContact O-N 3.43Å; Q1181-Q1183 VanDerWaalsContact C-N 3.26Å; Q1181-Q1183 PolarHBondContact O-N 3.37Å; Q1183-T1187 PolarHBondContact O-N 3.08Å; Q1183-T1187 PolarHBondContact O-OG1 2.99Å; Q1183-T1321 VanDerWaalsContact CD-OG1 3.25Å; Q1183-T1321 PolarHBondContact NE2-OG1 3.19Å; Q1183-T1321 VanDerWaalsContact OE1-CG2 3.29Å; Q1183-T1321 PolarHBondContact OE1-OG1 2.79Å
1184N56.4Low56.7Low81 Ų8194.1 Ų94.143%0.43348%0.48SS..Hα-helixtrans-72.3-42.3175.3-72.8-14.9000111.3Q1181 T1182 T1187 I1188Q1181-N1184 WeakPolarHBondContact O-CB 3.42Å; Q1181-N1184 PolarHBondContact O-N 3.27Å; Q1181-N1184 VanDerWaalsContact O-N 3.08Å; T1182-N1184 VanDerWaalsContact C-N 3.27Å; T1182-N1184 PolarHBondContact O-N 2.69Å; N1184-T1187 WeakPolarHBondContact O-CB 3.42Å; N1184-T1187 PolarHBondContact O-N 2.91Å; N1184-I1188 WeakPolarHBondContact O-CG1 3.18Å; N1184-I1188 PolarHBondContact O-N 3.32Å; N1184-I1188 VanDerWaalsContact O-N 3.08Å
1185E55.3Low57.4Low112 Ų11295.3 Ų95.352%0.52348%0.479SS..Hα-helixtrans-65.3-42.5178.3-64.8-174.4177.200112.4Q1181 T1182 T1187 I1188 I1189Q1181-E1185 PolarHBondContact O-N 3.46Å; T1182-E1185 PolarHBondContact O-N 3.04Å; E1185-T1187 PolarHBondContact O-N 3.45Å; E1185-I1188 PolarHBondContact O-N 3.41Å; E1185-I1188 VanDerWaalsContact O-N 3.14Å; E1185-I1189 WeakPolarHBondContact O-CG1 3.12Å; E1185-I1189 PolarHBondContact O-N 3.02Å
1186I54.5Low58.5Low60 Ų6094.2 Ų94.231%0.30847%0.473SS..Hα-helixtrans-59.4-36.6173.9-67.4168.3000111.2T1182 I1189 K1190T1182-I1186 WeakPolarHBondContact O-CG1 3.41Å; T1182-I1186 PolarHBondContact O-N 3.05Å; I1186-I1189 PolarHBondContact O-N 3.09Å; I1186-K1190 PolarHBondContact O-N 2.94Å
1187T59.2Low59Low75 Ų7591.7 Ų91.746%0.4647%0.467SS..Hα-helixtrans-66.9-40.6177.1-56.80000111.4Q1183 N1184 E1185 K1190 S1191Q1183-T1187 PolarHBondContact O-N 3.08Å; Q1183-T1187 PolarHBondContact O-OG1 2.99Å; N1184-T1187 WeakPolarHBondContact O-CB 3.42Å; N1184-T1187 PolarHBondContact O-N 2.91Å; E1185-T1187 PolarHBondContact O-N 3.45Å; T1187-K1190 PolarHBondContact O-N 3.3Å; T1187-S1191 PolarHBondContact O-N 3.36Å
1188I66.8Low59.7Low108 Ų10893 Ų9355%0.55447%0.467SS*.Hα-helixtrans-63.2-47.9174.7-65.3166000110.6N1184 E1185 K1190 S1191 E1192N1184-I1188 WeakPolarHBondContact O-CG1 3.18Å; N1184-I1188 PolarHBondContact O-N 3.32Å; N1184-I1188 VanDerWaalsContact O-N 3.08Å; E1185-I1188 PolarHBondContact O-N 3.41Å; E1185-I1188 VanDerWaalsContact O-N 3.14Å; I1188-K1190 VanDerWaalsContact C-N 3.34Å; I1188-K1190 PolarHBondContact O-N 3.16Å; I1188-S1191 WeakPolarHBondContact O-CA 3.42Å; I1188-S1191 WeakPolarHBondContact O-CB 3.25Å; I1188-S1191 PolarHBondContact O-N 2.73Å; I1188-S1191 PolarHBondContact O-OG 3.02Å; I1188-E1192 PolarHBondContact O-N 3.36Å; I1188-E1192 VanDerWaalsContact O-N 3.15Å
1189I58.2Low60.7Low105 Ų10595.1 Ų95.154%0.53847%0.471SS..Hα-helixtrans-61.2-40.5-179.9-66.8168.3000111.6E1185 I1186 S1191 E1192 L1193E1185-I1189 WeakPolarHBondContact O-CG1 3.12Å; E1185-I1189 PolarHBondContact O-N 3.02Å; I1186-I1189 PolarHBondContact O-N 3.09Å; I1189-S1191 VanDerWaalsContact C-N 3.28Å; I1189-S1191 PolarHBondContact O-N 3.42Å; I1189-E1192 PolarHBondContact O-N 3.49Å; I1189-L1193 HydrophobicContact CG2-CD1 4.24Å; I1189-L1193 PolarHBondContact O-N 2.93Å
1190K58.5Low61.7Low147 Ų14794.5 Ų94.564%0.63947%0.472SS*.Hα-helixtrans-60-37.7172.7-93.1-170.5171.4-175.30112.5I1186 T1187 I1188 L1194I1186-K1190 PolarHBondContact O-N 2.94Å; T1187-K1190 PolarHBondContact O-N 3.3Å; I1188-K1190 VanDerWaalsContact C-N 3.34Å; I1188-K1190 PolarHBondContact O-N 3.16Å; K1190-L1194 PolarHBondContact O-N 2.8Å; K1190-L1194 VanDerWaalsContact O-N 3.09Å
1191S69.5Low62.3Low50 Ų5094.5 Ų94.535%0.3548%0.476SS..Hα-helixtrans-67.4-36.5178.782.40000112.8T1187 I1188 I1189 K1195T1187-S1191 PolarHBondContact O-N 3.36Å; I1188-S1191 WeakPolarHBondContact O-CA 3.42Å; I1188-S1191 WeakPolarHBondContact O-CB 3.25Å; I1188-S1191 PolarHBondContact O-N 2.73Å; I1188-S1191 PolarHBondContact O-OG 3.02Å; I1189-S1191 VanDerWaalsContact C-N 3.28Å; I1189-S1191 PolarHBondContact O-N 3.42Å; S1191-K1195 WeakPolarHBondContact O-CG 3.28Å; S1191-K1195 PolarHBondContact O-N 3.49Å
1192E69.5Low63.1Low90 Ų9095.5 Ų95.542%0.42148%0.478SS..Hα-helixtrans-73-39175.4-71-55.213500112.4I1188 I1189 L1194 K1195 I1196I1188-E1192 PolarHBondContact O-N 3.36Å; I1188-E1192 VanDerWaalsContact O-N 3.15Å; I1189-E1192 PolarHBondContact O-N 3.49Å; E1192-L1194 VanDerWaalsContact C-N 3.28Å; E1192-L1194 PolarHBondContact O-N 3.16Å; E1192-K1195 PolarHBondContact O-N 2.94Å; E1192-K1195 IonicContact OE1-NZ 2.66Å; E1192-K1195 PolarHBondContact OE1-NZ 2.78Å; E1192-I1196 WeakPolarHBondContact O-CG1 3.25Å; E1192-I1196 PolarHBondContact O-N 3.14Å
1193L60.1Low64.3Low98 Ų9897.9 Ų97.951%0.51349%0.488SS..Hα-helixtrans-60.3-37.4172.7-82.4168.5000112.3I1189 I1196 N1197I1189-L1193 HydrophobicContact CG2-CD1 4.24Å; I1189-L1193 PolarHBondContact O-N 2.93Å; L1193-I1196 PolarHBondContact O-N 3.28Å; L1193-N1197 PolarHBondContact O-N 3.13Å
1194L70.7Confident64.9Low118 Ų118104 Ų10462%0.61852%0.516SS*.Hα-helixtrans-62.7-46.1174.9-152.682.1000111.6K1190 E1192 I1196 N1197 E1198K1190-L1194 PolarHBondContact O-N 2.8Å; K1190-L1194 VanDerWaalsContact O-N 3.09Å; E1192-L1194 VanDerWaalsContact C-N 3.28Å; E1192-L1194 PolarHBondContact O-N 3.16Å; L1194-I1196 VanDerWaalsContact C-N 3.25Å; L1194-I1196 PolarHBondContact O-N 2.78Å; L1194-N1197 PolarHBondContact O-N 2.94Å; L1194-E1198 PolarHBondContact O-N 2.93Å
1195K71.9Confident65.5Low98 Ų98107.4 Ų107.443%0.42653%0.527SS..Hα-helixtrans-62.1-30.6175.3-65.5168.6-167.1172.80112.9S1191 E1192 K1199S1191-K1195 WeakPolarHBondContact O-CG 3.28Å; S1191-K1195 PolarHBondContact O-N 3.49Å; E1192-K1195 PolarHBondContact O-N 2.94Å; E1192-K1195 IonicContact OE1-NZ 2.66Å; E1192-K1195 PolarHBondContact OE1-NZ 2.78Å; K1195-K1199 WeakPolarHBondContact O-CG 3.31Å; K1195-K1199 PolarHBondContact O-N 3.34Å
1196I68.9Low66.3Low85 Ų85107.7 Ų107.744%0.43653%0.532SS..Hα-helixtrans-71.3-43.5175.3-70.9166.1000110.5E1192 L1193 L1194 K1199 L1200E1192-I1196 WeakPolarHBondContact O-CG1 3.25Å; E1192-I1196 PolarHBondContact O-N 3.14Å; L1193-I1196 PolarHBondContact O-N 3.28Å; L1194-I1196 VanDerWaalsContact C-N 3.25Å; L1194-I1196 PolarHBondContact O-N 2.78Å; I1196-K1199 WeakPolarHBondContact O-CB 3.34Å; I1196-K1199 PolarHBondContact O-N 2.64Å; I1196-L1200 HydrophobicContact CG2-CD1 4.31Å; I1196-L1200 PolarHBondContact O-N 3.26Å
1197N62.8Low66.5Low105 Ų105108.2 Ų108.256%0.56153%0.532SS*.Hα-helixtrans-63-43.9174.6-86.315.3000112.3L1193 L1194 K1199 L1200 D1201L1193-N1197 PolarHBondContact O-N 3.13Å; L1194-N1197 PolarHBondContact O-N 2.94Å; N1197-K1199 PolarHBondContact O-N 2.99Å; N1197-L1200 WeakPolarHBondContact O-CB 3.47Å; N1197-L1200 PolarHBondContact O-N 3.32Å; N1197-L1200 VanDerWaalsContact O-N 3.07Å; N1197-D1201 PolarHBondContact O-N 3.05Å
1198E74Confident66.8Low119 Ų119107.7 Ų107.756%0.55653%0.529SS*.Hα-helixtrans-60.1-31.1175.3-71.8-170.2154.500113.3L1194 K1202L1194-E1198 PolarHBondContact O-N 2.93Å; E1198-K1202 WeakPolarHBondContact O-CG 3.07Å; E1198-K1202 PolarHBondContact O-N 3.48Å
1199K71.1Confident67Low144 Ų144107.4 Ų107.463%0.62653%0.526SS*.Hα-helixtrans-72.6-41.3172.8-77.1174.1177.7176.30111.8K1195 I1196 N1197 K1202 I1203K1195-K1199 WeakPolarHBondContact O-CG 3.31Å; K1195-K1199 PolarHBondContact O-N 3.34Å; I1196-K1199 WeakPolarHBondContact O-CB 3.34Å; I1196-K1199 PolarHBondContact O-N 2.64Å; N1197-K1199 PolarHBondContact O-N 2.99Å; K1199-K1202 PolarHBondContact O-N 3.13Å; K1199-I1203 VanDerWaalsContact O-CG1 3.31Å; K1199-I1203 WeakPolarHBondContact O-CG1 3.23Å; K1199-I1203 PolarHBondContact O-N 2.9Å
1200L62.3Low67.1Low93 Ų93107 Ų10749%0.48752%0.52SS..Hα-helixtrans-61.1-45.7175.2-96.1156.3000111.8I1196 N1197 K1202 I1203 Q1204I1196-L1200 HydrophobicContact CG2-CD1 4.31Å; I1196-L1200 PolarHBondContact O-N 3.26Å; N1197-L1200 WeakPolarHBondContact O-CB 3.47Å; N1197-L1200 PolarHBondContact O-N 3.32Å; N1197-L1200 VanDerWaalsContact O-N 3.07Å; L1200-K1202 VanDerWaalsContact C-N 3.33Å; L1200-K1202 PolarHBondContact O-N 2.87Å; L1200-I1203 PolarHBondContact O-N 2.82Å; L1200-I1203 VanDerWaalsContact O-N 3.14Å; L1200-Q1204 WeakPolarHBondContact O-CB 3.42Å; L1200-Q1204 PolarHBondContact O-N 3.26Å
1201D69.3Low67.1Low111 Ų111101.9 Ų101.959%0.59450%0.501SS*.Hα-helixtrans-59.6-40.6175.3-97.74000112.6N1197 Q1204 K1205N1197-D1201 PolarHBondContact O-N 3.05Å; D1201-Q1204 PolarHBondContact O-N 2.98Å; D1201-K1205 WeakPolarHBondContact O-CB 3.17Å; D1201-K1205 PolarHBondContact O-N 2.58Å
1202K72.4Confident66.7Low146 Ų146104.9 Ų104.964%0.63551%0.508SS*.Hα-helixtrans-65.2-41.5174.1-80177.8177.3172.90112.1E1198 K1199 L1200 N1206E1198-K1202 WeakPolarHBondContact O-CG 3.07Å; E1198-K1202 PolarHBondContact O-N 3.48Å; K1199-K1202 PolarHBondContact O-N 3.13Å; L1200-K1202 VanDerWaalsContact C-N 3.33Å; L1200-K1202 PolarHBondContact O-N 2.87Å; K1202-N1206 WeakPolarHBondContact O-CB 3.42Å; K1202-N1206 VanDerWaalsContact O-CG 3.23Å; K1202-N1206 PolarHBondContact O-N 3.41Å; K1202-N1206 PolarHBondContact O-OD1 2.82Å
1203I69.5Low66.3Low108 Ų108106.4 Ų106.455%0.55451%0.513SS*.Hα-helixtrans-62.6-45.7174.9-69.2163.7000110.2K1199 L1200 N1206 F1207K1199-I1203 VanDerWaalsContact O-CG1 3.31Å; K1199-I1203 WeakPolarHBondContact O-CG1 3.23Å; K1199-I1203 PolarHBondContact O-N 2.9Å; L1200-I1203 PolarHBondContact O-N 2.82Å; L1200-I1203 VanDerWaalsContact O-N 3.14Å; I1203-N1206 PolarHBondContact O-N 3.16Å; I1203-F1207 WeakPolarHBondContact O-CB 3.23Å; I1203-F1207 PolarHBondContact O-N 3.17Å
1204Q62Low65.7Low130 Ų130107.4 Ų107.461%0.60751%0.514SS*.Hα-helixtrans-66.8-37.6-178.9-170.8162.4-44.700112.8L1200 D1201 F1207 T1208L1200-Q1204 WeakPolarHBondContact O-CB 3.42Å; L1200-Q1204 PolarHBondContact O-N 3.26Å; D1201-Q1204 PolarHBondContact O-N 2.98Å; Q1204-F1207 PolarHBondContact O-N 2.88Å; Q1204-T1208 WeakPolarHBondContact O-CB 3.46Å; Q1204-T1208 PolarHBondContact O-N 3.48Å; Q1204-T1208 PolarHBondContact O-OG1 3.22Å
1205K69.4Low64.8Low154 Ų154106.7 Ų106.767%0.6751%0.51SS*.Hα-helixtrans-62-50.4169.2-86.4-178.9173.81720112.2D1201 F1207 T1208 E1209D1201-K1205 WeakPolarHBondContact O-CB 3.17Å; D1201-K1205 PolarHBondContact O-N 2.58Å; K1205-F1207 VanDerWaalsContact C-N 3.25Å; K1205-F1207 PolarHBondContact O-N 3.32Å; K1205-T1208 WeakPolarHBondContact O-CB 3.25Å; K1205-T1208 PolarHBondContact O-N 2.88Å; K1205-T1208 VanDerWaalsContact O-N 3.09Å; K1205-E1209 PolarHBondContact O-N 3.39Å
1206N70.7Confident63.8Low117 Ų117108.8 Ų108.863%0.62652%0.519SS*.Hα-helixtrans-58.8-39.2178-71.60.2000111.6K1202 I1203 E1209 F1210K1202-N1206 WeakPolarHBondContact O-CB 3.42Å; K1202-N1206 VanDerWaalsContact O-CG 3.23Å; K1202-N1206 PolarHBondContact O-N 3.41Å; K1202-N1206 PolarHBondContact O-OD1 2.82Å; I1203-N1206 PolarHBondContact O-N 3.16Å; N1206-E1209 PolarHBondContact O-N 3.2Å; N1206-F1210 WeakPolarHBondContact O-CB 3.39Å; N1206-F1210 PolarHBondContact O-N 3.48Å
1207F60.4Low62.6Low71 Ų71107.9 Ų107.931%0.31152%0.515SS..Hα-helixtrans-67.5-35177.3-155.8-89.1000112.9I1203 Q1204 K1205 T1211 Q1356I1203-F1207 WeakPolarHBondContact O-CB 3.23Å; I1203-F1207 PolarHBondContact O-N 3.17Å; Q1204-F1207 PolarHBondContact O-N 2.88Å; K1205-F1207 VanDerWaalsContact C-N 3.25Å; K1205-F1207 PolarHBondContact O-N 3.32Å; F1207-T1211 HydrophobicContact CD1-CG2 4.43Å; F1207-T1211 HydrophobicContact CE1-CG2 3.96Å; F1207-T1211 PolarHBondContact O-N 3.36Å; F1207-T1211 PolarHBondContact O-OG1 3.18Å; F1207-Q1356 HydrophobicContact CE1-CB 4.17Å; F1207-Q1356 HydrophobicContact CE2-CB 4.36Å; F1207-Q1356 HydrophobicContact CZ-CB 3.48Å; F1207-Q1356 VanDerWaalsContact CZ-CB 3.48Å; F1207-Q1356 HydrophobicContact CZ-CG 4.12Å
1208T65.2Low61.7Low64 Ų64109.1 Ų109.139%0.39352%0.517SS..Hα-helixtrans-69.6-41.1175-54.30000111.7Q1204 K1205 T1211 K1212Q1204-T1208 WeakPolarHBondContact O-CB 3.46Å; Q1204-T1208 PolarHBondContact O-N 3.48Å; Q1204-T1208 PolarHBondContact O-OG1 3.22Å; K1205-T1208 WeakPolarHBondContact O-CB 3.25Å; K1205-T1208 PolarHBondContact O-N 2.88Å; K1205-T1208 VanDerWaalsContact O-N 3.09Å; T1208-T1211 WeakPolarHBondContact CA-OG1 3.25Å; T1208-T1211 PolarHBondContact O-OG1 3.49Å; T1208-T1211 VanDerWaalsContact O-OG1 3.1Å; T1208-K1212 WeakPolarHBondContact O-CG 3.44Å; T1208-K1212 PolarHBondContact O-N 2.93Å
1209E70.1Confident60.2Low103 Ų103108 Ų10848%0.48152%0.515SS..Hα-helixtrans-68.4-36.7173.2-65.7-51.4129.500112.3K1205 N1206 T1211 K1212 F1213K1205-E1209 PolarHBondContact O-N 3.39Å; N1206-E1209 PolarHBondContact O-N 3.2Å; E1209-T1211 PolarHBondContact O-N 2.85Å; E1209-K1212 PolarHBondContact O-N 3.19Å; E1209-K1212 IonicContact OE1-NZ 2.79Å; E1209-K1212 PolarHBondContact OE1-NZ 3.48Å; E1209-K1212 WeakPolarHBondContact OE2-CD 3.37Å; E1209-K1212 IonicContact OE2-NZ 3.69Å; E1209-F1213 WeakPolarHBondContact O-CB 3.29Å; E1209-F1213 PolarHBondContact O-N 3.01Å
1210F61Low58.9Low96 Ų96104.6 Ų104.642%0.42150%0.504SS..Hα-helixtrans-63.4-40.7175.1-173.6-96.4000112.3N1206 F1213 F1214N1206-F1210 WeakPolarHBondContact O-CB 3.39Å; N1206-F1210 PolarHBondContact O-N 3.48Å; F1210-F1213 PolarHBondContact O-N 3.45Å; F1210-F1214 HydrophobicContact CD1-CD2 4.19Å; F1210-F1214 AromaticContact CE1-CD2 3.76Å; F1210-F1214 HydrophobicContact CE1-CD2 3.76Å; F1210-F1214 AromaticContact CE1-CE2 3.72Å; F1210-F1214 HydrophobicContact CE1-CE2 3.72Å; F1210-F1214 HydrophobicContact CE2-CD2 4.34Å; F1210-F1214 AromaticContact CE2-CE2 3.94Å; F1210-F1214 HydrophobicContact CE2-CE2 3.94Å; F1210-F1214 AromaticContact CZ-CD2 3.86Å; F1210-F1214 HydrophobicContact CZ-CD2 3.86Å; F1210-F1214 AromaticContact CZ-CE2 3.38Å; F1210-F1214 HydrophobicContact CZ-CE2 3.38Å; F1210-F1214 HydrophobicContact CZ-CZ 4.37Å; F1210-F1214 PolarHBondContact O-N 3.44Å
1211T57.7Low57.8Low39 Ų39106.3 Ų106.324%0.23951%0.509CS..Hα-helixtrans-70.6-36.717537.50000112.7F1207 T1208 E1209 F1213 F1214 I1215F1207-T1211 HydrophobicContact CD1-CG2 4.43Å; F1207-T1211 HydrophobicContact CE1-CG2 3.96Å; F1207-T1211 PolarHBondContact O-N 3.36Å; F1207-T1211 PolarHBondContact O-OG1 3.18Å; T1208-T1211 WeakPolarHBondContact CA-OG1 3.25Å; T1208-T1211 PolarHBondContact O-OG1 3.49Å; T1208-T1211 VanDerWaalsContact O-OG1 3.1Å; E1209-T1211 PolarHBondContact O-N 2.85Å; T1211-F1213 VanDerWaalsContact C-N 3.34Å; T1211-F1214 PolarHBondContact O-N 2.95Å; T1211-I1215 WeakPolarHBondContact O-CD1 3.32Å; T1211-I1215 VanDerWaalsContact O-CG1 3.29Å; T1211-I1215 WeakPolarHBondContact O-CG1 3.43Å; T1211-I1215 PolarHBondContact O-N 3.4Å
1212K61.9Low56.4Low114 Ų114105.7 Ų105.750%0.49651%0.505SS..Hα-helixtrans-59.6-42.7168-73.6172.4-176.9173.70112.2T1208 E1209 I1215 K1216T1208-K1212 WeakPolarHBondContact O-CG 3.44Å; T1208-K1212 PolarHBondContact O-N 2.93Å; E1209-K1212 PolarHBondContact O-N 3.19Å; E1209-K1212 IonicContact OE1-NZ 2.79Å; E1209-K1212 PolarHBondContact OE1-NZ 3.48Å; E1209-K1212 WeakPolarHBondContact OE2-CD 3.37Å; E1209-K1212 IonicContact OE2-NZ 3.69Å; K1212-I1215 PolarHBondContact O-N 3.33Å; K1212-K1216 VanDerWaalsContact O-CB 3.31Å; K1212-K1216 WeakPolarHBondContact O-CB 3.48Å; K1212-K1216 PolarHBondContact O-N 3.11Å
1213F61.7Low55Low121 Ų121102.5 Ų102.553%0.53150%0.498SS..Hα-helixtrans-62.5-46.1179.5-173.2-91000111.3E1209 F1210 T1211 K1216 N1217E1209-F1213 WeakPolarHBondContact O-CB 3.29Å; E1209-F1213 PolarHBondContact O-N 3.01Å; F1210-F1213 PolarHBondContact O-N 3.45Å; T1211-F1213 VanDerWaalsContact C-N 3.34Å; F1213-K1216 PolarHBondContact O-N 3.33Å; F1213-N1217 PolarHBondContact O-N 3.48Å
1214F45.8Very low53.5Low119 Ų119101.9 Ų101.952%0.52250%0.496SS..Hα-helixtrans-61.2-48.2175-99.2-92.4000112.7F1210 T1211 K1216 N1217 E1218F1210-F1214 HydrophobicContact CD1-CD2 4.19Å; F1210-F1214 AromaticContact CE1-CD2 3.76Å; F1210-F1214 HydrophobicContact CE1-CD2 3.76Å; F1210-F1214 AromaticContact CE1-CE2 3.72Å; F1210-F1214 HydrophobicContact CE1-CE2 3.72Å; F1210-F1214 HydrophobicContact CE2-CD2 4.34Å; F1210-F1214 AromaticContact CE2-CE2 3.94Å; F1210-F1214 HydrophobicContact CE2-CE2 3.94Å; F1210-F1214 AromaticContact CZ-CD2 3.86Å; F1210-F1214 HydrophobicContact CZ-CD2 3.86Å; F1210-F1214 AromaticContact CZ-CE2 3.38Å; F1210-F1214 HydrophobicContact CZ-CE2 3.38Å; F1210-F1214 HydrophobicContact CZ-CZ 4.37Å; F1210-F1214 PolarHBondContact O-N 3.44Å; T1211-F1214 PolarHBondContact O-N 2.95Å; F1214-K1216 PolarHBondContact O-N 3.27Å; F1214-N1217 PolarHBondContact O-N 3.32Å; F1214-N1217 VanDerWaalsContact O-N 3.16Å; F1214-E1218 WeakPolarHBondContact O-CB 3.49Å; F1214-E1218 PolarHBondContact O-N 2.9Å
1215I53.6Low52.3Low103 Ų103100.8 Ų100.853%0.52849%0.494SS..Hα-helixtrans-61.9-33.2177.7-66.8165.6000111.2T1211 K1212 N1219T1211-I1215 WeakPolarHBondContact O-CD1 3.32Å; T1211-I1215 VanDerWaalsContact O-CG1 3.29Å; T1211-I1215 WeakPolarHBondContact O-CG1 3.43Å; T1211-I1215 PolarHBondContact O-N 3.4Å; K1212-I1215 PolarHBondContact O-N 3.33Å; I1215-N1219 PolarHBondContact O-N 3.35Å; I1215-N1219 PolarHBondContact O-ND2 2.97Å
1216K49.1Very low50.6Low143 Ų143102.7 Ų102.762%0.62250%0.498SS*.Hα-helixtrans-74.6-36.5175.9-167.5171.8-178.1179.60112.7K1212 F1213 F1214 N1220K1212-K1216 VanDerWaalsContact O-CB 3.31Å; K1212-K1216 WeakPolarHBondContact O-CB 3.48Å; K1212-K1216 PolarHBondContact O-N 3.11Å; F1213-K1216 PolarHBondContact O-N 3.33Å; F1214-K1216 PolarHBondContact O-N 3.27Å; K1216-N1220 WeakPolarHBondContact O-CB 3.42Å; K1216-N1220 PolarHBondContact O-N 3.39Å; K1216-N1220 VanDerWaalsContact O-N 3.14Å
1217N45.7Very low49.1Very low66 Ų66101.7 Ų101.735%0.35350%0.496SS..Hα-helixtrans-73.6-39.8176.5-96.224.5000112.8F1213 F1214 N1219 N1220 E1221F1213-N1217 PolarHBondContact O-N 3.48Å; F1214-N1217 PolarHBondContact O-N 3.32Å; F1214-N1217 VanDerWaalsContact O-N 3.16Å; N1217-N1219 VanDerWaalsContact C-N 3.29Å; N1217-N1219 PolarHBondContact O-N 3.37Å; N1217-N1220 CarbonylContact O-C 3.56Å; N1217-N1220 PolarHBondContact O-N 3.19Å; N1217-E1221 PolarHBondContact O-N 3.27Å
1218E42.4Very low47.9Very low130 Ų130102.6 Ų102.661%0.60751%0.508SS*.Hα-helixtrans-60.6-40.2178.8-163.6166-147.700110.9F1214 L1222F1214-E1218 WeakPolarHBondContact O-CB 3.49Å; F1214-E1218 PolarHBondContact O-N 2.9Å; E1218-L1222 WeakPolarHBondContact O-CB 3.24Å; E1218-L1222 PolarHBondContact O-N 2.68Å; E1218-L1222 VanDerWaalsContact O-N 3.13Å
1219N43.7Very low46.4Very low95 Ų95105.8 Ų105.851%0.50852%0.523SS..Hα-helixtrans-71-30.6172-73.9-62.6000113.9I1215 N1217 T1223I1215-N1219 PolarHBondContact O-N 3.35Å; I1215-N1219 PolarHBondContact O-ND2 2.97Å; N1217-N1219 VanDerWaalsContact C-N 3.29Å; N1217-N1219 PolarHBondContact O-N 3.37Å; N1219-T1223 PolarHBondContact O-N 2.79Å; N1219-T1223 VanDerWaalsContact O-N 3.17Å; N1219-T1223 PolarHBondContact O-OG1 3.01Å
1220N43.5Very low44.5Very low74 Ų74108.3 Ų108.340%0.39654%0.539SS..Hα-helixtrans-76.5-34.9176.1-83.12.4000112.7K1216 N1217 T1223 N1224K1216-N1220 WeakPolarHBondContact O-CB 3.42Å; K1216-N1220 PolarHBondContact O-N 3.39Å; K1216-N1220 VanDerWaalsContact O-N 3.14Å; N1217-N1220 CarbonylContact O-C 3.56Å; N1217-N1220 PolarHBondContact O-N 3.19Å; N1220-T1223 WeakPolarHBondContact CA-OG1 3.28Å; N1220-T1223 PolarHBondContact O-N 3.29Å; N1220-T1223 PolarHBondContact O-OG1 3.4Å; N1220-N1224 VanDerWaalsContact O-CB 3.29Å; N1220-N1224 WeakPolarHBondContact O-CB 3.42Å; N1220-N1224 VanDerWaalsContact O-CG 3.22Å; N1220-N1224 PolarHBondContact O-N 3Å; N1220-N1224 PolarHBondContact O-ND2 3.18Å
1221E39.7Very low43.2Very low128 Ų128108.1 Ų108.160%0.59855%0.55SS**Hα-helixtrans-69.8-39.9173-71.4-170.2149.300110.8N1217 T1223 N1224 L1225N1217-E1221 PolarHBondContact O-N 3.27Å; E1221-T1223 VanDerWaalsContact C-N 3.26Å; E1221-T1223 PolarHBondContact O-N 3.07Å; E1221-N1224 PolarHBondContact O-N 2.92Å; E1221-L1225 WeakPolarHBondContact O-CB 3.33Å; E1221-L1225 WeakPolarHBondContact O-CG 3.13Å; E1221-L1225 PolarHBondContact O-N 2.91Å
1222L39.3Very low41.9Very low98 Ų98114 Ų11451%0.51358%0.58SS.*Hα-helixtrans-64-24.3172.5-86.6160.2000114.1E1218 Y1226E1218-L1222 WeakPolarHBondContact O-CB 3.24Å; E1218-L1222 PolarHBondContact O-N 2.68Å; E1218-L1222 VanDerWaalsContact O-N 3.13Å; L1222-Y1226 VanDerWaalsContact O-CD2 3.25Å; L1222-Y1226 WeakPolarHBondContact O-CD2 3.45Å
1223T42.3Very low40.5Very low79 Ų79117.3 Ų117.349%0.48560%0.599SS.*Hα-helixtrans-91.7-31.8173.541.50000113.3N1219 N1220 E1221 Y1226 T1227N1219-T1223 PolarHBondContact O-N 2.79Å; N1219-T1223 VanDerWaalsContact O-N 3.17Å; N1219-T1223 PolarHBondContact O-OG1 3.01Å; N1220-T1223 WeakPolarHBondContact CA-OG1 3.28Å; N1220-T1223 PolarHBondContact O-N 3.29Å; N1220-T1223 PolarHBondContact O-OG1 3.4Å; E1221-T1223 VanDerWaalsContact C-N 3.26Å; E1221-T1223 PolarHBondContact O-N 3.07Å; T1223-Y1226 PolarHBondContact O-N 3.37Å; T1223-T1227 PolarHBondContact O-N 2.76Å; T1223-T1227 PolarHBondContact O-OG1 3.11Å
1224N39.4Very low38.8Very low95 Ų95116.8 Ų116.851%0.50861%0.611SS.*Hα-helixtrans-69.2-39.1172.6-73.7-26.9000112.5N1220 E1221 Y1226 T1227 T1228N1220-N1224 VanDerWaalsContact O-CB 3.29Å; N1220-N1224 WeakPolarHBondContact O-CB 3.42Å; N1220-N1224 VanDerWaalsContact O-CG 3.22Å; N1220-N1224 PolarHBondContact O-N 3Å; N1220-N1224 PolarHBondContact O-ND2 3.18Å; E1221-N1224 PolarHBondContact O-N 2.92Å; N1224-Y1226 PolarHBondContact O-N 3.17Å; N1224-T1227 WeakPolarHBondContact CA-OG1 3.04Å; N1224-T1227 PolarHBondContact O-N 3.5Å; N1224-T1227 VanDerWaalsContact O-N 3.1Å; N1224-T1227 PolarHBondContact O-OG1 3.16Å; N1224-T1228 PolarHBondContact O-N 2.75Å; N1224-T1228 VanDerWaalsContact O-N 3.13Å; N1224-T1228 PolarHBondContact O-OG1 2.88Å; N1224-T1228 VanDerWaalsContact O-OG1 3.11Å
1225L34.9Very low38.1Very low108 Ų108116.3 Ų116.357%0.56562%0.622SS**THydrogen-bonded Turntrans-64.5-24.6174.4-81162.4000113.5E1221 N1229E1221-L1225 WeakPolarHBondContact O-CB 3.33Å; E1221-L1225 WeakPolarHBondContact O-CG 3.13Å; E1221-L1225 PolarHBondContact O-N 2.91Å; L1225-N1229 PolarHBondContact O-ND2 3.13Å
1226Y34.8Very low37.1Very low194 Ų194118.5 Ų118.576%0.76163%0.633SS**THydrogen-bonded Turntrans-88.4-5.5174.9-92.3-97.1000114.1L1222 T1223 N1224L1222-Y1226 VanDerWaalsContact O-CD2 3.25Å; L1222-Y1226 WeakPolarHBondContact O-CD2 3.45Å; T1223-Y1226 PolarHBondContact O-N 3.37Å; N1224-Y1226 PolarHBondContact O-N 3.17Å
1227T38.7Very low36.3Very low95 Ų95118.5 Ų118.558%0.58364%0.64SS**THydrogen-bonded Turntrans-115.4-18.4-178.843.80000114.2T1223 N1224T1223-T1227 PolarHBondContact O-N 2.76Å; T1223-T1227 PolarHBondContact O-OG1 3.11Å; N1224-T1227 WeakPolarHBondContact CA-OG1 3.04Å; N1224-T1227 PolarHBondContact O-N 3.5Å; N1224-T1227 VanDerWaalsContact O-N 3.1Å; N1224-T1227 PolarHBondContact O-OG1 3.16Å
1228T34.9Very low35.5Very low91 Ų91122.4 Ų122.456%0.55866%0.661SS**SBendtrans-89.3-11.4179.452.50000115.4N1224N1224-T1228 PolarHBondContact O-N 2.75Å; N1224-T1228 VanDerWaalsContact O-N 3.13Å; N1224-T1228 PolarHBondContact O-OG1 2.88Å; N1224-T1228 VanDerWaalsContact O-OG1 3.11Å
1229N35.5Very low35.1Very low131 Ų131123.5 Ų123.570%0.70167%0.671SS**SBendtrans-93.113.1-176.9-79.3-51.4000115L1225L1225-N1229 PolarHBondContact O-ND2 3.13Å
1230N30.2Very low34.7Very low155 Ų155127.1 Ų127.183%0.82969%0.685SS**SBendtrans-105.725.8-173.4-117.8-1.4000114
1231S32.1Very low34.2Very low93 Ų93130.1 Ų130.165%0.6570%0.696SS**SBendtrans-145.846.7-174.255.20000114.7
1232N32Very low33.9Very low162 Ų162133.8 Ų133.887%0.86671%0.71SS**SBendtrans-166.9168.2154.3-100.5-40000112.1
1233M31Very low33.5Very low183 Ų183139.5 Ų139.590%0.90173%0.725SS**  trans65.670.8172.1-121.465.5167.400116.5
1234S27.4Very low33.1Very low110 Ų110142 Ų14277%0.76974%0.735SS**  trans-66.8163.6156.752.70000112.3
1235S29.3Very low32.8Very low109 Ų109145.1 Ų145.176%0.76274%0.744SS**  trans94.9149.3168.382.40000119.2
1236I33.1Very low32.6Very low149 Ų149145.3 Ų145.376%0.76475%0.749SS**SBendtrans79.2100.7169-52.3176.4000117.7
1237N31.7Very low32.6Very low143 Ų143141.5 Ų141.577%0.76574%0.741SS**  trans64.178.1148-63-9.4000121.3N1239N1237-N1239 PolarHBondContact O-N 3.1Å
1238N29.6Very low32.3Very low148 Ų148147.4 Ų147.479%0.79175%0.754SS**  11.4109.6114.8-63.5-21.6000117.2
1239N34.9Very low31.9Very low153 Ų153147.8 Ų147.882%0.81876%0.761SS**  178.2-22.1122.7-95.6-25.5000114.8N1237N1237-N1239 PolarHBondContact O-N 3.1Å
1240H35Very low31.6Very low171 Ų171147.7 Ų147.779%0.79276%0.764SS**SBendtrans-90-13.4-168.9-92.8-96.7000117K1242H1240-K1242 VanDerWaalsContact C-N 3.27Å; H1240-K1242 PolarHBondContact O-N 3.37Å
1241E32Very low31.5Very low138 Ų138146.2 Ų146.265%0.64576%0.761SS**G310 helixtrans-73.9-11.2-170-140.9-159128.800115.2R1243 K1245E1241-R1243 VanDerWaalsContact C-N 3.33Å; E1241-R1243 PolarHBondContact O-N 3.29Å; E1241-K1245 WeakPolarHBondContact OE1-CE 3.27Å; E1241-K1245 IonicContact OE1-NZ 3.23Å; E1241-K1245 PolarHBondContact OE1-NZ 3.34Å
1242K33.9Very low31.3Very low205 Ų205150.6 Ų150.689%0.89177%0.771SS**G310 helixtrans-83.85.6-179.3-82.4-175.9174.8176.70115.4H1240H1240-K1242 VanDerWaalsContact C-N 3.27Å; H1240-K1242 PolarHBondContact O-N 3.37Å
1243R31.1Very low31.2Very low218 Ų218149.6 Ų149.682%0.82377%0.766SS**G310 helixtrans-118.4-5.3-175.8-108.3-177.6173.3-175.6-2.7116.9E1241E1241-R1243 VanDerWaalsContact C-N 3.33Å; E1241-R1243 PolarHBondContact O-N 3.29Å
1244L33.4Very low31.3Very low132 Ų132148.4 Ų148.469%0.69176%0.764SS**SBendtrans-110.6-15.3-176.5-72.9165.5000114.4T1246L1244-T1246 PolarHBondContact O-N 3.4Å; L1244-T1246 VanDerWaalsContact O-N 3.14Å
1245K33.4Very low31.5Very low159 Ų159147.7 Ų147.769%0.69175%0.754SS**THydrogen-bonded Turntrans-84.533.7177.9-74.4173.4170.2168.30113.7E1241E1241-K1245 WeakPolarHBondContact OE1-CE 3.27Å; E1241-K1245 IonicContact OE1-NZ 3.23Å; E1241-K1245 PolarHBondContact OE1-NZ 3.34Å
1246T31.8Very low31.6Very low112 Ų112147.2 Ų147.269%0.68775%0.747SS**THydrogen-bonded Turntrans-138.88.6-176.7-37.70000112.8L1244L1244-T1246 PolarHBondContact O-N 3.4Å; L1244-T1246 VanDerWaalsContact O-N 3.14Å
1247I34.7Very low31.6Very low115 Ų115145.3 Ų145.359%0.5975%0.747SS**SBendtrans-117.1-10.3-171.2-64.1177.9000112.7
1248Y30.8Very low31.5Very low219 Ų219143 Ų14386%0.85974%0.742SS**SBendtrans-134.149.5-173.7-74-77.9000113.2
1249S27.7Very low31.5Very low98 Ų98142.3 Ų142.369%0.68574%0.744SS**  trans-150.546.6-178.467.50000114.6
1250V28.6Very low31.2Very low129 Ų129142.1 Ų142.178%0.78274%0.738SS**  trans-146.1155.3168.4-1580000109.1
1251T28.8Very low30.9Very low125 Ų125140.7 Ų140.777%0.76773%0.733SS**  trans73.841.6170.170.40000119.1
1252E27.3Very low30.7Very low184 Ų184140.6 Ų140.686%0.8674%0.737SS**SBend-101.7146.7124.9-77.9-164.9129.400107.9
1253N30.1Very low30.5Very low141 Ų141136.7 Ų136.775%0.75473%0.73SS**  trans64.7135.3-157.3-42.4-41.3000111.3
1254D33.4Very low30.4Very low159 Ų159131.7 Ų131.785%0.8572%0.724SS**  cis-133.1174.520.5-84.5-56.2000114.1
1255T30.9Very low30.3Very low94 Ų94133.5 Ų133.558%0.57773%0.729SS**  trans-120.6148.3169.960.80000113.2
1256T32.1Very low30.1Very low99 Ų99131.7 Ų131.761%0.60773%0.731SS**  trans95.7137.7167.371.80000117.4
1257S32.1Very low30.1Very low109 Ų109131.8 Ų131.876%0.76273%0.732SS**  trans57.4153172.846.40000119.4
1258S30.3Very low30Very low95 Ų95131.8 Ų131.866%0.66474%0.737SS**  cis-179.4131.5-48.242.30000109.1
1259T29.4Very low30Very low134 Ų134126.9 Ų126.982%0.82273%0.731SS**  trans59146.5164.848.60000116.3
1260Q29.1Very low30.3Very low149 Ų149127.6 Ų127.670%0.69673%0.731SS**  cis-159.215418.9-157.3170.4-48.700110.4
1261M28.9Very low30.6Very low140 Ų140127.3 Ų127.369%0.6973%0.73SS**  trans46.4125.4155.9-75.2159.4175.300121.7
1262D26.8Very low30.9Very low137 Ų137126.4 Ų126.473%0.73372%0.724SS**  32.9135.2118.7-35.6-38.5000118.9
1263T30.3Very low31.3Very low122 Ų122123.6 Ų123.675%0.74872%0.719SS**  cis-160.5154.447.441.70000115.9
1264T28.8Very low31.8Very low113 Ų113122.1 Ų122.169%0.69372%0.718SS**  trans56.1110.8143.458.50000123.6
1265H32.2Very low31.9Very low170 Ų170121.3 Ų121.379%0.78772%0.719SS**  56119123.8-73.2-81000123.9
1266T29Very low32.1Very low121 Ų121122.3 Ų122.374%0.74273%0.727SS**  trans59.2139.9139.455.10000119.2
1267T30.1Very low32.2Very low114 Ų114123.9 Ų123.970%0.69974%0.736SS**  cis-165.1159.643-34.30000111.8
1268T32.7Very low32.2Very low115 Ų115124.4 Ų124.471%0.70674%0.735SS**  trans55.3117.515536.50000122.3
1269T31.9Very low32.3Very low117 Ų117125.2 Ų125.272%0.71874%0.736SS**  20.4145.4120.658.70000119.9
1270T33.9Very low32.5Very low113 Ų113125.1 Ų125.169%0.69373%0.731SS**  cis-173.9144.932.7-13.40000113.1
1271T34Very low32.7Very low123 Ų123123.8 Ų123.876%0.75573%0.728SS**  trans53.9162.7148.442.30000121.1
1272T34.9Very low33Very low105 Ų105122.8 Ų122.864%0.64473%0.726SS**  cis-158.8127.4-0.510.30000108.5
1273T35.5Very low33.3Very low125 Ų125122.3 Ų122.377%0.76772%0.723SS**  71.6173.7100.1760000116.8
1274P41.1Very low33.3Very low110 Ų110123.4 Ų123.471%0.71473%0.725SS**  -140.4-177.4-103.840.9-19.5000117
1275T35.5Very low33.2Very low142 Ų142122.5 Ų122.587%0.87172%0.723SS**  trans-177.7157.7132.727.30000113.7
1276P36.4Very low32.9Very low116 Ų116118.6 Ų118.675%0.75372%0.715SS**  trans-132.1160.7-179.942-28.1000117
1277T34.2Very low32.9Very low131 Ų131119.7 Ų119.780%0.80472%0.716SS**  trans-158120.7160.970000115.7
1278T31.4Very low32.7Very low120 Ų120118.9 Ų118.974%0.73672%0.715SS**  trans53.6141.5139.146.70000126.1
1279T31.8Very low32.4Very low113 Ų113118.6 Ų118.669%0.69372%0.718SS**  trans86.1113.7139.541.80000124.1
1280N33.1Very low32.2Very low132 Ų132118.4 Ų118.471%0.70672%0.716SS**  91.7130.1123.7-769.4000124.5
1281N35Very low32Very low120 Ų120121.2 Ų121.264%0.64272%0.719SS**  trans86.6105.5134.5-68.64.9000123.1
1282N33.9Very low31.8Very low120 Ų120121.9 Ų121.964%0.64272%0.718SS**  87.1133115.2-64.6-4.7000122.7
1283N32.9Very low31.6Very low126 Ų126123.8 Ų123.867%0.67472%0.723SS**  trans72119.9143-63.7-6.3000117.5
1284N30.1Very low31.3Very low146 Ų146125.3 Ų125.378%0.78172%0.719SS**  6313380.3-64.4-17000113.1
1285S27Very low30.9Very low94 Ų94125.9 Ų125.966%0.65772%0.716SS**  cis-170.4175.2-952.90000108.5
1286S26.7Very low30.7Very low87 Ų87125.8 Ų125.861%0.60871%0.71SS**  trans50.7117.7153.156.20000118.2
1287N27.9Very low30.3Very low145 Ų145127 Ų12778%0.77571%0.71SS**  -174.115171.3-103.2-37.4000114.9
1288S26.8Very low30.3Very low96 Ų96125.5 Ų125.567%0.67170%0.702SS**  trans44.5132141.773.40000123.4
1289S26.4Very low30.1Very low110 Ų110125.4 Ų125.477%0.76970%0.702SS**  77.6147.8129.9-72.30000119.5
1290V27.9Very low29.8Very low112 Ų112128 Ų12868%0.67971%0.706SS**  cis-167.6156.2-9.4113.90000110.6
1291K30Very low29.6Very low172 Ų172129.1 Ų129.175%0.74870%0.704SS**  trans67.6118.9161-81.7163.7-168.6174.60122.1
1292N28.7Very low29.1Very low138 Ų138129.1 Ų129.174%0.73871%0.714SS**  92.1147.4117.2-70.28.7000124.5
1293L31.4Very low28.8Very low144 Ų144131.4 Ų131.475%0.75472%0.723SS**  trans70.7110.7165.4-9066.4000116.2
1294K30.1Very low28.5Very low158 Ų158134.6 Ų134.669%0.68773%0.73SS**  93.4128.373.8-89.2-165.7134.1-85.50110.7
1295D31Very low28.4Very low122 Ų122133.5 Ų133.565%0.65273%0.731SS**  cis-137.7-171.5-9.6-62.4-76000106.5
1296D31.7Very low28.3Very low140 Ų140132.9 Ų132.975%0.74973%0.727SS**  cis-150.4-98.37.3-176.237.2000112.7
1297L28.6Very low28.3Very low141 Ų141134.9 Ų134.974%0.73874%0.735SS**  trans-143.4175.8-160.3-114.362.7000113.2
1298P33.6Very low28.2Very low100 Ų100134.4 Ų134.465%0.64973%0.732SS**  cis-140165.3-4.934.4-13.1000119.2
1299T26.8Very low28.1Very low118 Ų118135.9 Ų135.972%0.72473%0.733SS**  trans79.2129145.743.80000125.5
1300H27.4Very low28.2Very low168 Ų168137.6 Ų137.678%0.77873%0.733SS**  trans69.497.5143-81.9-64.9000122.6
1301K26.8Very low28.1Very low155 Ų155137.1 Ų137.167%0.67474%0.735SS**  -178160.8121.4-104.2169.9-179.1-179.60113
1302S26Very low27.9Very low120 Ų120140.4 Ų140.484%0.83974%0.743SS**  trans68.5165.5168.389.30000116.2
1303M27.8Very low28Very low168 Ų168139.2 Ų139.283%0.82874%0.742SS**  cis-178128-30166.7169.1166.700109.3
1304K25.5Very low27.7Very low192 Ų192137.9 Ų137.984%0.83574%0.744SS**  trans-176.2122.8163.4-112.4167.8-173.7178.50113.4
1305P27.6Very low27.4Very low124 Ų124136.8 Ų136.881%0.80575%0.745SS**  trans-127.499.8161.834-18.1000111.4
1306S25.7Very low27.2Very low81 Ų81139 Ų13957%0.56675%0.751SS**  trans-163.8129-179.356.60000114
1307T26.4Very low26.9Very low128 Ų128138.7 Ų138.779%0.78575%0.745SS**  trans64.1150.4156.160.10000117.8
1308L26Very low26.8Very low136 Ų136141.2 Ų141.271%0.71275%0.746SS**  cis-152.3147.55.4-154.873.7000111.9
1309N25.4Very low26.4Very low126 Ų126141.4 Ų141.467%0.67474%0.741SS**  trans56.6148.1150.4-74.51.9000124.2
1310N27.3Very low26.4Very low147 Ų147142.2 Ų142.279%0.78673%0.731SS**  trans65.2145.1154.4-62.31.3000119.8
1311S25.8Very low26.3Very low102 Ų102136.6 Ų136.671%0.71371%0.709SS**  cis-175.3142-39.240.40000109
1312R25.8Very low26.3Very low241 Ų241136.5 Ų136.591%0.90971%0.71SS**  trans-15.9144.8162.1-82.1-177.2-179.6-170.20.9116.9
1313P30.7Very low26.4Very low112 Ų112135.5 Ų135.573%0.72769%0.692SS**  -152.815970.341.3-22.3000120.4
1314C24.8Very low26.4Very low116 Ų116132.1 Ų132.178%0.78467%0.674SS**  trans49.4124.4139.7-620000121.4
1315L24.5Very low26.5Very low135 Ų135126.9 Ų126.971%0.70765%0.652SS**  82.28459.2-166.1159.3000113.3
1316H27.2Very low26.8Very low168 Ų168128 Ų12878%0.77865%0.647SS**  trans-150.1125.3137.7-116.5-90.8000105.7
1317Q25Very low27Very low134 Ų134131.3 Ų131.363%0.62665%0.653SS**  cis75.875.740.3-164.9-178.2-12.800113
1318Y26.8Very low27.1Very low194 Ų194135.2 Ų135.276%0.76166%0.655SS**  -162.7122.8117-115.3-121.6000107
1319N25.7Very low27.4Very low104 Ų104133.3 Ų133.356%0.55665%0.653SS**  70.9137.392.5-81.1-17.9000115.2
1320R26.6Very low28Very low136 Ų136132.2 Ų132.251%0.51365%0.652SS.*  cis-164.8142.7-15.3-135.5176.6176.4173.4-3.9110.3
1321T25.5Very low28.3Very low50 Ų50133.1 Ų133.131%0.30765%0.652SS.*  trans28.2109.8144.453.40000119.4Q1183Q1183-T1321 VanDerWaalsContact CD-OG1 3.25Å; Q1183-T1321 PolarHBondContact NE2-OG1 3.19Å; Q1183-T1321 VanDerWaalsContact OE1-CG2 3.29Å; Q1183-T1321 PolarHBondContact OE1-OG1 2.79Å
1322H26.6Very low28.6Very low153 Ų153134.1 Ų134.171%0.70865%0.649SS**  48.1130.374.1-88.9-92.3000117.6
1323H26.9Very low28.8Very low98 Ų98133.7 Ų133.745%0.45465%0.648SS.*  trans66.6106.7152.3-65.3-58.5000122.7Y1109Y1109-H1323 PolarHBondContact OH-CE1 3.24Å; Y1109-H1323 VanDerWaalsContact OH-CE1 3.31Å; Y1109-H1323 PolarHBondContact OH-ND1 2.82Å
1324H27.8Very low28.9Very low98 Ų98134.6 Ų134.645%0.45465%0.651SS.*  55130.7104.8-89.8-92000123.6Y1109Y1109-H1324 AromaticContact CD2-CE1 3.71Å; Y1109-H1324 AromaticContact CD2-ND1 3.61Å; Y1109-H1324 HydrophobicContact CE2-CB 4.22Å; Y1109-H1324 AromaticContact CE2-CD2 3.77Å; Y1109-H1324 AromaticContact CE2-CE1 3.55Å; Y1109-H1324 AromaticContact CE2-CG 3.54Å; Y1109-H1324 AromaticContact CE2-ND1 3.38Å; Y1109-H1324 WeakPolarHBondContact CE2-ND1 3.13Å; Y1109-H1324 AromaticContact CE2-NE2 3.77Å
1325H29.3Very low29.2Very low81 Ų81135.7 Ų135.738%0.37565%0.654SS.*  trans101.9119.8134-86.1-55.3000123.4I1108 Y1109I1108-H1325 PolarHBondContact O-NE2 3.13Å; Y1109-H1325 WeakPolarHBondContact CB-NE2 3.38Å; Y1109-H1325 AromaticContact CD2-CD2 3.6Å; Y1109-H1325 AromaticContact CD2-NE2 3.01Å; Y1109-H1325 WeakPolarHBondContact CD2-NE2 3.49Å; Y1109-H1325 AromaticContact CE2-CD2 3.87Å; Y1109-H1325 AromaticContact CE2-NE2 3.73Å; Y1109-H1325 AromaticContact CG-CD2 3.79Å; Y1109-H1325 AromaticContact CG-NE2 3.25Å
1326H32Very low29.3Very low148 Ų148134.7 Ų134.769%0.68565%0.653SS**  trans71160.5144.3-68.9-40000118.1
1327H30.1Very low29.3Very low150 Ų150135.1 Ų135.169%0.69465%0.653SS**  cis-151.7-169.217.2-133.8-30.3000113.5
1328Y29Very low29.4Very low211 Ų211136.8 Ų136.883%0.82766%0.661SS**  trans72.8148172.5-64.2-80.3000118.2
1329S32.1Very low29.4Very low95 Ų95134 Ų13466%0.66466%0.659SS**  cis-177.9-175.5-23.1-120.30000109.4
1330P38.8Very low29.6Very low103 Ų103134.3 Ų134.367%0.66967%0.666SS**  -131.3-163.9-52.635-14.1000113.4
1331E34.1Very low29.5Very low166 Ų166133.5 Ų133.578%0.77668%0.678SS**  trans78.3141.1160.2-70.9-161.8-140.800120.1
1332N31.1Very low29.6Very low124 Ų124139.2 Ų139.266%0.66369%0.694SS**  cis-156.3165.3-8.1-139.1-41.7000113.9
1333R29.9Very low29.5Very low232 Ų232138.9 Ų138.988%0.87570%0.698SS**  trans68.6103.8168.4-59.2-177.2179.9-173.61.7121.4
1334V32.5Very low29.5Very low131 Ų131142 Ų14279%0.79471%0.707SS**  trans-140.5151.2152.2178.50000109.9
1335V32Very low29.4Very low139 Ų139144.2 Ų144.284%0.84272%0.722SS**  trans-91.1143-171.5179.40000113.9
1336T26.1Very low29.3Very low114 Ų114146.1 Ų146.170%0.69973%0.729SS**  trans-74.8154.6-173.138.20000116.3
1337F27.4Very low29Very low177 Ų177147.5 Ų147.578%0.77673%0.729SS**  trans-170.8116.9136.7-104.5-64.6000111.9
1338Q26.8Very low28.9Very low169 Ų169144 Ų14479%0.7972%0.721SS**  trans-57.3154.8-175.3-79109.4-48.900116.2
1339L28.1Very low28.9Very low136 Ų136140 Ų14071%0.71271%0.71SS**  trans-136.9153.2136.8-89.5110.4000109.5K1084K1084-L1339 HydrophobicContact CD-CD1 4.36Å
1340P29Very low28.7Very low110 Ų110140.9 Ų140.971%0.71472%0.716SS**  trans-86.8159.4-168.634.4-36.7000114.4
1341P24.2Very low28.3Very low118 Ų118142.3 Ų142.377%0.76672%0.717SS**  trans-75.5151.6-177.432-36.8000113.4
1342R27.2Very low28.1Very low170 Ų170137.7 Ų137.764%0.64270%0.7SS**  trans-143.3108.7164.3-81.4-174.2167.6171.9-0.5111.1L393L393-R1342 HydrophobicContact CD1-CG 4.34Å
1343N25Very low28Very low147 Ų147136.3 Ų136.379%0.78670%0.7SS**  trans-65.1133.6169-58.5-2.9000109.5
1344Y27.4Very low28Very low163 Ų163130.5 Ų130.564%0.63970%0.695SS**  trans-147.299.9157.1-96.1-66.8000110.6L393 F1346L393-Y1344 HydrophobicContact CD1-CE2 3.76Å; L393-Y1344 HydrophobicContact CD2-CE2 3.84Å; L393-Y1344 WeakPolarHBondContact CD2-OH 3.3Å; L393-Y1344 HydrophobicContact CG-CE2 4.44Å; Y1344-F1346 PolarHBondContact O-N 3.27Å
1345D25.7Very low27.8Very low144 Ų144134.5 Ų134.577%0.7770%0.696SS**  trans-60.5116.7164-88.4-66.8000110.2R1347D1345-R1347 HydrophobicContact CB-CB 4.3Å; D1345-R1347 PolarHBondContact O-N 2.71Å
1346F27.1Very low27.7Very low121 Ų121132.3 Ų132.353%0.53168%0.677SS.*  trans-90.243.1163.5-114.1-76.9000111.7S1077 Y1344 S1348S1077-F1346 VanDerWaalsContact CB-CE1 3.46Å; Y1344-F1346 PolarHBondContact O-N 3.27Å; F1346-S1348 PolarHBondContact O-N 2.69Å
1347R25.6Very low27.8Very low178 Ų178132 Ų13267%0.67267%0.669SS**  trans-72.763.3175.4-169.1174.8175.1148.41.5111.1D1345 Q1349D1345-R1347 HydrophobicContact CB-CB 4.3Å; D1345-R1347 PolarHBondContact O-N 2.71Å; R1347-Q1349 HydrophobicContact CG-CG 4.05Å; R1347-Q1349 VanDerWaalsContact CZ-OE1 3.28Å; R1347-Q1349 PolarHBondContact O-N 3.14Å
1348S27.1Very low27.8Very low75 Ų75128.6 Ų128.652%0.52467%0.668SS.*  trans-78.161.2172.679.80000111.1F1346 S1350F1346-S1348 PolarHBondContact O-N 2.69Å; S1348-S1350 PolarHBondContact O-N 2.62Å
1349Q29.4Very low28.1Very low128 Ų128125.3 Ų125.360%0.59866%0.661SS**  trans-64.3125.4172-81.3-173.4-58.400109.8R1347 L1351R1347-Q1349 HydrophobicContact CG-CG 4.05Å; R1347-Q1349 VanDerWaalsContact CZ-OE1 3.28Å; R1347-Q1349 PolarHBondContact O-N 3.14Å; Q1349-L1351 PolarHBondContact O-N 3.41Å; Q1349-L1351 VanDerWaalsContact O-N 3.15Å
1350S28.8Very low28.1Very low113 Ų113126.5 Ų126.579%0.7966%0.663SS**  trans-76.190.7164.549.20000109S1348 T1352S1348-S1350 PolarHBondContact O-N 2.62Å; S1350-T1352 PolarHBondContact O-N 3.2Å; S1350-T1352 VanDerWaalsContact O-N 3.13Å
1351L29.6Very low28.1Very low134 Ų134127.6 Ų127.670%0.70267%0.668SS**  trans-69.2102.1166-92.9163.2000109.5M655 Q1349M655-L1351 VanDerWaalsContact CE-O 3.27Å; M655-L1351 WeakPolarHBondContact CE-O 3.47Å; Q1349-L1351 PolarHBondContact O-N 3.41Å; Q1349-L1351 VanDerWaalsContact O-N 3.15Å
1352T31Very low28.6Very low68 Ų68127 Ų12742%0.41766%0.664SS.*  trans-79.7141.5141.247.80000108Y656 S1350Y656-T1352 HydrophobicContact CE1-CG2 3.72Å; S1350-T1352 PolarHBondContact O-N 3.2Å; S1350-T1352 VanDerWaalsContact O-N 3.13Å
1353S28.8Very low28.6Very low95 Ų95128.2 Ų128.266%0.66467%0.674SS**  trans-55.1148.7-177.453.60000112.7
1354S29.1Very low28.8Very low110 Ų110128.9 Ų128.977%0.76968%0.677SS**  -138135.873.6-72.90000116.8
1355R29.5Very low29Very low215 Ų215127.7 Ų127.781%0.81168%0.681SS**  trans13.6126.8133.2-79.7178.2175.5-172.5-2115.9
1356Q28.4Very low29.4Very low94 Ų94126 Ų12644%0.43968%0.678SS.*  179.9159.359.5-116.6157.8-76.100112.9F1207F1207-Q1356 HydrophobicContact CE1-CB 4.17Å; F1207-Q1356 HydrophobicContact CE2-CB 4.36Å; F1207-Q1356 HydrophobicContact CZ-CB 3.48Å; F1207-Q1356 VanDerWaalsContact CZ-CB 3.48Å; F1207-Q1356 HydrophobicContact CZ-CG 4.12Å
1357I28.4Very low29.4Very low106 Ų106128.2 Ų128.254%0.54469%0.694SS.*  trans45.3106.6134.5-63.4173.3000118.1
1358S27.8Very low29.5Very low106 Ų106129 Ų12974%0.74170%0.702SS**  84.9162.576.9-66.10000114.5
1359P32.4Very low29.7Very low101 Ų101135.3 Ų135.366%0.65672%0.72SS**  cis-136.7-177.7-32.136.1-16.6000115.2
1360E29Very low29.6Very low161 Ų161136.7 Ų136.775%0.75273%0.731SS**  trans58101.5140.7-75.6159.3-169.200124.7
1361T28.4Very low29.6Very low133 Ų133138.6 Ų138.682%0.81673%0.732SS**  trans68.3171.8130.472.50000120.3
1362P34.7Very low29.8Very low105 Ų105140.4 Ų140.468%0.68274%0.736SS**  -127.1-162.3-6839.6-24000112.3
1363K28.5Very low29.9Very low195 Ų195145.6 Ų145.685%0.84875%0.753SS**  trans80.8147.1-175-49.3163.7-177.5174.90112.7
1364L29.2Very low30.1Very low162 Ų162148.7 Ų148.785%0.84876%0.756SS**  cis-144.8152.2-3.1-156.472000110.4
1365N31.8Very low30.1Very low137 Ų137149.1 Ų149.173%0.73376%0.756SS**  trans-78.4173.9164.2-117.2-33000109.6
1366P33.1Very low30.3Very low109 Ų109144 Ų14471%0.70875%0.753SS**  cis-144.7140.530.637.8-16000118.4K1368P1366-K1368 PolarHBondContact O-N 3.5Å
1367I27.8Very low30.6Very low168 Ų168146.7 Ų146.786%0.86277%0.77SS**  trans-88.390.4146-61.9-179.2000108.4
1368K27.5Very low30.7Very low195 Ų195145.8 Ų145.885%0.84877%0.773SS**  trans-15466.3165-134.2-178-173.4-173.10112.2P1366P1366-K1368 PolarHBondContact O-N 3.5Å
1369K30.1Very low31Very low206 Ų206148.5 Ų148.590%0.89677%0.773SS**  trans-121.467.6174.8-162.6179.3-172.6179.80111.3
1370L28.8Very low31.1Very low158 Ų158149.5 Ų149.583%0.82777%0.773SS**SBendtrans-168.1137.1159.1-105.8161.5000109.8
1371L27.8Very low31.3Very low153 Ų153148.6 Ų148.680%0.80177%0.773SS**SBendtrans74.6141.4173.7-64.2151.3000118.7
1372H34.6Very low31.5Very low171 Ų171153.6 Ų153.679%0.79280%0.795SS**  trans67.768.4173.5-64.3-73.6000120.5
1373K32.4Very low31.3Very low178 Ų178156.1 Ų156.177%0.77480%0.8SS**  18.3133.9112.5-144.4-173.5-177.8-172.40118.6
1374H33.7Very low31.5Very low159 Ų159154 Ų15474%0.73680%0.798SS**  trans95.7120.4169.1-67-82.9000118
1375P29.2Very low31.6Very low119 Ų119153.6 Ų153.677%0.77380%0.795SS**  trans-105.7155.7175.639.5-32.7000113.6
1376S33.5Very low31.6Very low107 Ų107154.5 Ų154.575%0.74880%0.799SS**  trans170.8156.9138.656.10000111
1377I34.9Very low31.5Very low152 Ų152157.4 Ų157.478%0.77980%0.804SS**  trans64.6107.6169.8-50.2168.7000114.4
1378S29.8Very low31.8Very low87 Ų87156.7 Ų156.761%0.60880%0.8SS**  cis94.6131.826.784.90000115.8
1379H34.2Very low32.1Very low162 Ų162153.9 Ų153.975%0.7580%0.797SS**  trans66.5145.4175.1-58.5-77.9000117.2
1380D33.9Very low32.2Very low122 Ų122149.9 Ų149.965%0.65279%0.789SS**  cis-161.9165.6-19.5-118-15.7000113.8
1381L32.4Very low32.5Very low142 Ų142149.3 Ų149.374%0.74379%0.786SS**  trans50.580.2146.9-66.6163.2000121
1382N33.5Very low32.9Very low239 Ų239148.9 Ų148.9100%1.27879%0.785SS**  178.80109.6-98.8-28.9000112.2

Retrieved 1,382 of 1,382 residues in 1936.2 ms (Link to these results)

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