A0A087Y5U0_POEFO Loading...

Acetylserotonin O-methyltransferase-like

AlphaFold DB , UniProt , Accession A0A087Y5U0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 636 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
1M43.1Very low64.6Low174 Ų17476 Ų7686%0.85743%0.431SS*.  0118.80-70.1-178-56.300107L195 L202M1-L195 HydrophobicContact CE-CD1 4.15Å; M1-L202 HydrophobicContact CE-CD2 3.88Å
2V49.8Very low66Low90 Ų9076.7 Ų76.755%0.54547%0.467SS..  trans-109.4134.5174.9-176.80000106.2N4 I7V2-N4 HydrophobicContact CB-CB 4.46Å; V2-N4 HydrophobicContact CG1-CB 4.29Å; V2-N4 VanDerWaalsContact CG1-OD1 3.32Å; V2-N4 WeakPolarHBondContact CG1-OD1 3.48Å; V2-N4 PolarHBondContact O-N 3.44Å; V2-I7 HydrophobicContact CG1-CD1 3.56Å
3L60.3Low67.8Low12 Ų1276.2 Ų76.26%0.06346%0.455CS..  trans-64.146.3173.2-83.8155.4000112.2P5 V6 I7 A31 L33 C206 L209L3-P5 VanDerWaalsContact C-CD 3.49Å; L3-V6 PolarHBondContact O-N 3.12Å; L3-V6 VanDerWaalsContact O-N 3.1Å; L3-I7 HydrophobicContact CB-CD1 3.54Å; L3-I7 HydrophobicContact CB-CG1 3.51Å; L3-I7 WeakPolarHBondContact O-CG1 3.38Å; L3-I7 PolarHBondContact O-N 2.76Å; L3-A31 HydrophobicContact CD1-CB 3.63Å; L3-A31 HydrophobicContact CG-CB 4.06Å; L3-A31 PolarHBondContact N-O 3.16Å; L3-A31 VanDerWaalsContact N-O 3.14Å; L3-L33 HydrophobicContact CD1-CB 4.08Å; L3-C206 HydrophobicContact CD2-CB 4.04Å; L3-C206 WeakPolarHBondContact CD2-SG 3.42Å; L3-L209 HydrophobicContact CD2-CD1 4.42Å
4N56.1Low69.6Low119 Ų11972.7 Ų72.764%0.63643%0.433SS*.THydrogen-bonded Turntrans-66.4-24.6-159.2-109-12.2000117.3V2V2-N4 HydrophobicContact CB-CB 4.46Å; V2-N4 HydrophobicContact CG1-CB 4.29Å; V2-N4 VanDerWaalsContact CG1-OD1 3.32Å; V2-N4 WeakPolarHBondContact CG1-OD1 3.48Å; V2-N4 PolarHBondContact O-N 3.44Å
5P56.6Low71.3Confident83 Ų8368.2 Ų68.254%0.53941%0.406SS..THydrogen-bonded Turntrans-80.3-16.2172.625.3-25.5000113.9L3L3-P5 VanDerWaalsContact C-CD 3.49Å
6V64.8Low72.9Confident3 Ų363.9 Ų63.92%0.01838%0.38CS..THydrogen-bonded Turntrans-121.3-19.3-170.9-163.70000114.5L3 S8 K9 L10 L209 D210 Y213L3-V6 PolarHBondContact O-N 3.12Å; L3-V6 VanDerWaalsContact O-N 3.1Å; V6-S8 PolarHBondContact O-N 3.16Å; V6-K9 HydrophobicContact CG1-CB 4.32Å; V6-K9 WeakPolarHBondContact O-CB 3.41Å; V6-K9 PolarHBondContact O-N 3.06Å; V6-L10 HydrophobicContact CG1-CG 4.49Å; V6-L10 PolarHBondContact O-N 3Å; V6-L209 HydrophobicContact CB-CB 4.48Å; V6-L209 HydrophobicContact CG1-CB 4Å; V6-L209 HydrophobicContact CG2-CB 4.38Å; V6-D210 HydrophobicContact CG2-CB 4.19Å; V6-Y213 HydrophobicContact CG1-CD2 3.61Å; V6-Y213 HydrophobicContact CG1-CE2 4.35Å; V6-Y213 HydrophobicContact CG1-CG 4.17Å
7I71.9Confident74.4Confident51 Ų5160.2 Ų60.226%0.26236%0.358SS..G310 helixtrans-54-41177.8-80.6164.2000112.3V2 L3 K9 L10 S11V2-I7 HydrophobicContact CG1-CD1 3.56Å; L3-I7 HydrophobicContact CB-CD1 3.54Å; L3-I7 HydrophobicContact CB-CG1 3.51Å; L3-I7 WeakPolarHBondContact O-CG1 3.38Å; L3-I7 PolarHBondContact O-N 2.76Å; I7-K9 VanDerWaalsContact C-N 3.26Å; I7-K9 PolarHBondContact O-N 2.89Å; I7-L10 PolarHBondContact O-N 2.88Å; I7-L10 VanDerWaalsContact O-N 3.15Å; I7-S11 PolarHBondContact O-N 3.23Å
8S72.9Confident75.7Confident83 Ų8356.9 Ų56.958%0.5834%0.339SS*.G310 helixtrans-63.3-32.7179.658.50000112.6V6 L10 S11V6-S8 PolarHBondContact O-N 3.16Å; S8-L10 VanDerWaalsContact C-N 3.29Å; S8-L10 PolarHBondContact O-N 3.17Å; S8-S11 VanDerWaalsContact O-CB 3.23Å; S8-S11 WeakPolarHBondContact O-CB 3.28Å; S8-S11 PolarHBondContact O-N 2.98Å
9K76.4Confident76.7Confident105 Ų10554.4 Ų54.446%0.45733%0.325SS..G310 helixtrans-74.7-20.1177.7-58.5-67.6-172.21730113.1V6 I7 Y213V6-K9 HydrophobicContact CG1-CB 4.32Å; V6-K9 WeakPolarHBondContact O-CB 3.41Å; V6-K9 PolarHBondContact O-N 3.06Å; I7-K9 VanDerWaalsContact C-N 3.26Å; I7-K9 PolarHBondContact O-N 2.89Å; K9-Y213 HydrophobicContact CB-CD1 3.9Å; K9-Y213 HydrophobicContact CB-CE1 4.39Å; K9-Y213 HydrophobicContact CB-CG 4Å; K9-Y213 HydrophobicContact CG-CD1 4.47Å; K9-Y213 HydrophobicContact CG-CG 4.41Å
10L80.4Confident77.4Confident16 Ų1656.2 Ų56.28%0.08434%0.339CS..G310 helixtrans-94.1-3.5174.3-59.7-179.4000112.4V6 I7 S8 G12 K13 L33 I83 L209 Y213V6-L10 HydrophobicContact CG1-CG 4.49Å; V6-L10 PolarHBondContact O-N 3Å; I7-L10 PolarHBondContact O-N 2.88Å; I7-L10 VanDerWaalsContact O-N 3.15Å; S8-L10 VanDerWaalsContact C-N 3.29Å; S8-L10 PolarHBondContact O-N 3.17Å; L10-G12 PolarHBondContact O-N 2.9Å; L10-K13 HydrophobicContact CD2-CD 4.37Å; L10-K13 PolarHBondContact O-N 2.8Å; L10-L33 HydrophobicContact CD1-CD1 3.49Å; L10-L33 VanDerWaalsContact CD1-CD1 3.49Å; L10-I83 HydrophobicContact CD2-CD1 3.36Å; L10-L209 HydrophobicContact CD1-CD1 4.24Å; L10-Y213 HydrophobicContact CD2-CE2 3.74Å
11S78.4Confident78.1Confident100 Ų10054.1 Ų54.170%0.69933%0.328SS*.THydrogen-bonded Turntrans-64.8126.4177-172.60000110.6I7 S8 K13I7-S11 PolarHBondContact O-N 3.23Å; S8-S11 VanDerWaalsContact O-CB 3.23Å; S8-S11 WeakPolarHBondContact O-CB 3.28Å; S8-S11 PolarHBondContact O-N 2.98Å; S11-K13 VanDerWaalsContact C-N 3.31Å
12G81.2Confident80.4Confident84 Ų8449.9 Ų49.987%0.86631%0.313SS*.THydrogen-bonded Turntrans85.1-4.4-178.300000115L10L10-G12 PolarHBondContact O-N 2.9Å
13K89.4Confident82.4Confident71 Ų7147.4 Ų47.431%0.30929%0.294SS..  trans-89.2141.9174.7-64.1-165.2176.3-158.40111.9L10 S11 V15 D82 I83 Y213L10-K13 HydrophobicContact CD2-CD 4.37Å; L10-K13 PolarHBondContact O-N 2.8Å; S11-K13 VanDerWaalsContact C-N 3.31Å; K13-V15 PolarHBondContact O-N 2.94Å; K13-D82 WeakPolarHBondContact CA-OD2 3.4Å; K13-D82 HydrophobicContact CB-CB 3.85Å; K13-D82 HydrophobicContact CD-CB 4.2Å; K13-D82 HydrophobicContact CG-CB 4.25Å; K13-I83 HydrophobicContact CD-CD1 4.19Å; K13-Y213 PolarHBondContact NZ-OH 2.92Å
14L92.9Very high84.1Confident27 Ų2747.6 Ų47.614%0.14129%0.294CS..  trans-77.395.2166.7-177.561.6000110.3V16 E36 M73 K79 P81 D82 I83L14-V16 HydrophobicContact CG-CG2 4.16Å; L14-E36 HydrophobicContact CD1-CG 4.08Å; L14-M73 HydrophobicContact CD2-CE 4.38Å; L14-K79 HydrophobicContact CD2-CD 3.56Å; L14-K79 HydrophobicContact CD2-CG 3.65Å; L14-P81 HydrophobicContact CD2-CB 4.25Å; L14-P81 HydrophobicContact CG-CB 4.44Å; L14-D82 PolarHBondContact N-OD2 3.39Å; L14-D82 PolarHBondContact O-N 3.07Å; L14-I83 PolarHBondContact O-N 2.65Å
15V95.2Very high85.9Confident5 Ų543.5 Ų43.53%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-88.8133.2171.4-173.30000109.6K13 L33 F35 E36 I83 I85K13-V15 PolarHBondContact O-N 2.94Å; V15-L33 HydrophobicContact CG1-CD2 4.28Å; V15-F35 HydrophobicContact CB-CB 3.96Å; V15-F35 HydrophobicContact CG1-CB 3.84Å; V15-F35 CarbonylContact O-C 3.54Å; V15-F35 WeakPolarHBondContact O-CA 3.29Å; V15-F35 VanDerWaalsContact O-CB 3.3Å; V15-F35 WeakPolarHBondContact O-CB 3.5Å; V15-E36 PolarHBondContact O-N 2.85Å; V15-I83 CarbonylContact C-O 3.58Å; V15-I83 HydrophobicContact CG1-CB 4.43Å; V15-I83 HydrophobicContact CG2-CB 4.48Å; V15-I83 HydrophobicContact CG2-CD1 4.36Å; V15-I85 HydrophobicContact CG1-CD1 3.77Å
16V97.4Very high87.6Confident0 Ų043.8 Ų43.80%027%0.266CS..EExtended strand (participates in β ladder)trans-123.3133.1179.1178.20000110L14 E36 V38 V69 M73 P81 I83 V84 I85L14-V16 HydrophobicContact CG-CG2 4.16Å; V16-E36 CarbonylContact C-O 3.52Å; V16-E36 WeakPolarHBondContact CA-O 3.4Å; V16-E36 HydrophobicContact CG2-CB 4.46Å; V16-V38 HydrophobicContact CG1-CB 3.77Å; V16-V38 HydrophobicContact CG1-CG2 3.78Å; V16-V69 HydrophobicContact CG1-CG1 3.84Å; V16-M73 HydrophobicContact CB-SD 4.34Å; V16-M73 HydrophobicContact CG1-SD 3.87Å; V16-M73 HydrophobicContact CG2-CE 3.9Å; V16-M73 HydrophobicContact CG2-SD 3.79Å; V16-P81 HydrophobicContact CB-CB 4.47Å; V16-P81 HydrophobicContact CG2-CB 3.72Å; V16-I83 PolarHBondContact N-O 2.92Å; V16-V84 HydrophobicContact CB-CG2 4.29Å; V16-V84 HydrophobicContact CG1-CG1 4.47Å; V16-V84 CarbonylContact O-C 3.56Å; V16-V84 WeakPolarHBondContact O-CA 3.32Å; V16-I85 PolarHBondContact O-N 2.93Å
17L97.9Very high89Confident0 Ų044.2 Ų44.20%027%0.268CS..EExtended strand (participates in β ladder)trans-97.8116.2167.9-174.671.4000110S19 R24 L25 L28 F35 E36 V38 I85L17-S19 PolarHBondContact O-N 3.41Å; L17-R24 HydrophobicContact CD2-CB 4.3Å; L17-L25 HydrophobicContact CD2-CD1 3.46Å; L17-L25 VanDerWaalsContact CD2-CD1 3.46Å; L17-L28 HydrophobicContact CD1-CD1 3.56Å; L17-L28 HydrophobicContact CD2-CD1 4.22Å; L17-L28 HydrophobicContact CG-CD1 4.44Å; L17-F35 HydrophobicContact CB-CD2 3.53Å; L17-F35 HydrophobicContact CB-CE2 3.77Å; L17-F35 HydrophobicContact CB-CG 4.34Å; L17-F35 HydrophobicContact CD2-CD2 4.42Å; L17-F35 HydrophobicContact CD2-CE2 3.77Å; L17-F35 HydrophobicContact CD2-CZ 4.28Å; L17-F35 HydrophobicContact CG-CE2 4.4Å; L17-E36 PolarHBondContact N-O 3.28Å; L17-V38 PolarHBondContact O-N 3.14Å; L17-I85 HydrophobicContact CD1-CB 4Å; L17-I85 HydrophobicContact CD1-CG2 3.93Å
18A97.4Very high90Very high2 Ų241.8 Ų41.82%0.01726%0.256CS..  trans-79.844.1177.300000112.9V38 V69 V84 I85A18-V38 VanDerWaalsContact CA-O 3.3Å; A18-V38 WeakPolarHBondContact CA-O 3.36Å; A18-V69 HydrophobicContact CB-CB 4.04Å; A18-V69 HydrophobicContact CB-CG1 4.47Å; A18-V69 HydrophobicContact CB-CG2 3.69Å; A18-V84 HydrophobicContact CB-CG1 3.86Å; A18-I85 WeakPolarHBondContact CB-O 3.31Å; A18-I85 PolarHBondContact N-O 2.83Å
19S94.5Very high90.8Very high9 Ų944.6 Ų44.66%0.06325%0.254CS..  trans-145.5138.8-174.3-162.20000113.4L17 S21 R24 V37L17-S19 PolarHBondContact O-N 3.41Å; S19-S21 WeakPolarHBondContact OG-CB 3.48Å; S19-S21 PolarHBondContact OG-N 3Å; S19-R24 PolarHBondContact OG-NH1 3.26Å; S19-V37 WeakPolarHBondContact O-CG1 3.47Å
20S91.3Very high91.4Very high89 Ų8944.4 Ų44.462%0.62226%0.258SS*.  trans-89.9-1168.554.60000113.5P22S20-P22 VanDerWaalsContact O-CD 3.24Å; S20-P22 WeakPolarHBondContact O-CD 3.45Å
21S92.7Very high91.6Very high14 Ų1443.8 Ų43.810%0.09825%0.254CS..  trans-67.7117.3-177.31770000111S19 R23 R24 L25S19-S21 WeakPolarHBondContact OG-CB 3.48Å; S19-S21 PolarHBondContact OG-N 3Å; S21-R23 PolarHBondContact O-N 2.87Å; S21-R24 PolarHBondContact O-N 3.22Å; S21-L25 PolarHBondContact O-N 3.33Å
22P90.8Very high92Very high85 Ų8540.8 Ų40.855%0.55224%0.239SC*.Hα-helixtrans-59.6-32.6178.2-2434.8000112.4S20 L25 E26S20-P22 VanDerWaalsContact O-CD 3.24Å; S20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-L25 VanDerWaalsContact O-CB 3.27Å; P22-L25 WeakPolarHBondContact O-CB 3.37Å; P22-L25 PolarHBondContact O-N 3.05Å; P22-E26 PolarHBondContact O-N 3.37Å
23R92.1Very high92.3Very high37 Ų3737.2 Ų37.214%0.1420%0.2CC..Hα-helixtrans-66.2-42.6-179.1-65.6174.1-68.4-923.2112.1S21 L25 E26 I27 D172 Q180 V198S21-R23 PolarHBondContact O-N 2.87Å; R23-L25 VanDerWaalsContact C-N 3.34Å; R23-E26 PolarHBondContact O-N 3.13Å; R23-I27 VanDerWaalsContact O-CG1 3.25Å; R23-I27 WeakPolarHBondContact O-CG1 3.14Å; R23-I27 PolarHBondContact O-N 3.25Å; R23-D172 IonicContact CZ-OD2 2.76Å; R23-D172 IonicContact NH1-OD1 3.51Å; R23-D172 PolarHBondContact NH1-OD1 3.39Å; R23-D172 IonicContact NH1-OD2 3.96Å; R23-D172 PolarHBondContact NH1-OD2 3.09Å; R23-D172 PolarHBondContact NH2-O 2.97Å; R23-D172 IonicContact NH2-OD2 2.65Å; R23-Q180 VanDerWaalsContact CD-NE2 3.28Å; R23-V198 HydrophobicContact CB-CG1 4.25Å; R23-V198 VanDerWaalsContact CD-O 3.3Å; R23-V198 WeakPolarHBondContact CD-O 3.32Å; R23-V198 HydrophobicContact CG-CG1 4.44Å
24R94.9Very high92.3Very high17 Ų1744.8 Ų44.86%0.06423%0.227CC..Hα-helixtrans-68.1-38177.3-61.6-173.5-176.8135.4-1.9111.5L17 S19 S21 I27 L28 A87 T89 G199 F200L17-R24 HydrophobicContact CD2-CB 4.3Å; S19-R24 PolarHBondContact OG-NH1 3.26Å; S21-R24 PolarHBondContact O-N 3.22Å; R24-I27 PolarHBondContact O-N 3.46Å; R24-L28 WeakPolarHBondContact O-CB 3.41Å; R24-L28 PolarHBondContact O-N 2.61Å; R24-L28 VanDerWaalsContact O-N 3.07Å; R24-A87 VanDerWaalsContact CZ-O 3.27Å; R24-A87 PolarHBondContact NH1-O 3.09Å; R24-T89 VanDerWaalsContact NH2-N 3.15Å; R24-T89 PolarHBondContact NH2-OG1 2.84Å; R24-G199 WeakPolarHBondContact CG-O 3.4Å; R24-G199 PolarHBondContact NE-O 3.33Å; R24-F200 HydrophobicContact CG-CB 4.25Å; R24-F200 HydrophobicContact CG-CD2 4.41Å
25L94.4Very high92.4Very high33 Ų3344.9 Ų44.917%0.17323%0.226CC..Hα-helixtrans-55.7-51.4171.1-121.766.4000111.5L17 S21 P22 R23 R29 F35 V37L17-L25 HydrophobicContact CD2-CD1 3.46Å; L17-L25 VanDerWaalsContact CD2-CD1 3.46Å; S21-L25 PolarHBondContact O-N 3.33Å; P22-L25 VanDerWaalsContact O-CB 3.27Å; P22-L25 WeakPolarHBondContact O-CB 3.37Å; P22-L25 PolarHBondContact O-N 3.05Å; R23-L25 VanDerWaalsContact C-N 3.34Å; L25-R29 VanDerWaalsContact O-CB 3.25Å; L25-R29 WeakPolarHBondContact O-CB 3.45Å; L25-R29 VanDerWaalsContact O-CG 3.23Å; L25-R29 WeakPolarHBondContact O-CG 3.46Å; L25-R29 PolarHBondContact O-N 2.88Å; L25-F35 HydrophobicContact CD1-CE2 3.81Å; L25-F35 HydrophobicContact CD1-CZ 4.34Å; L25-F35 HydrophobicContact CG-CE2 4.2Å; L25-F35 HydrophobicContact CG-CZ 4.39Å; L25-V37 HydrophobicContact CD1-CB 4.37Å; L25-V37 HydrophobicContact CD1-CG1 3.84Å; L25-V37 HydrophobicContact CD1-CG2 3.58Å; L25-V37 HydrophobicContact CD2-CG2 4.16Å; L25-V37 HydrophobicContact CG-CG2 4.13Å
26E92.9Very high92.4Very high88 Ų8848.6 Ų48.641%0.41124%0.244SC..Hα-helixtrans-62.3-49-179.7-177.4-178.417100111.1P22 R23 L28 R29 N30 K436P22-E26 PolarHBondContact O-N 3.37Å; R23-E26 PolarHBondContact O-N 3.13Å; E26-L28 PolarHBondContact O-N 3.36Å; E26-R29 PolarHBondContact O-N 3.16Å; E26-N30 VanDerWaalsContact CG-ND2 3.27Å; E26-N30 WeakPolarHBondContact CG-ND2 3.08Å; E26-N30 WeakPolarHBondContact O-CB 3.42Å; E26-N30 PolarHBondContact O-N 2.82Å; E26-N30 PolarHBondContact O-ND2 3.32Å; E26-K436 IonicContact OE1-NZ 3.05Å; E26-K436 PolarHBondContact OE1-NZ 3.14Å
27I93.7Very high92.4Very high13 Ų1351.2 Ų51.27%0.06726%0.259CS..Hα-helixtrans-57.6-50.7-178.3-69.1166.5000111.1R23 R24 N30 A31 L195 V198 F200 L202R23-I27 VanDerWaalsContact O-CG1 3.25Å; R23-I27 WeakPolarHBondContact O-CG1 3.14Å; R23-I27 PolarHBondContact O-N 3.25Å; R24-I27 PolarHBondContact O-N 3.46Å; I27-N30 PolarHBondContact O-N 2.98Å; I27-A31 PolarHBondContact O-N 3.2Å; I27-A31 VanDerWaalsContact O-N 3.1Å; I27-L195 HydrophobicContact CD1-CD2 4.5Å; I27-L195 HydrophobicContact CG1-CD2 4.36Å; I27-V198 HydrophobicContact CD1-CB 4.18Å; I27-V198 HydrophobicContact CD1-CG1 3.93Å; I27-F200 HydrophobicContact CD1-CB 3.77Å; I27-F200 HydrophobicContact CG2-CB 4.22Å; I27-F200 HydrophobicContact CG2-CD1 4.26Å; I27-L202 HydrophobicContact CG2-CB 3.96Å; I27-L202 HydrophobicContact CG2-CD1 4.33Å; I27-L202 HydrophobicContact CG2-CD2 4.13Å; I27-L202 HydrophobicContact CG2-CG 4.36Å
28L92.6Very high92.3Very high0 Ų052 Ų520%026%0.264CS..Hα-helixtrans-72.5-36.9-176-69.1173.3000112.6L17 R24 E26 A31 G32 L33 F35 F200 L202 F205L17-L28 HydrophobicContact CD1-CD1 3.56Å; L17-L28 HydrophobicContact CD2-CD1 4.22Å; L17-L28 HydrophobicContact CG-CD1 4.44Å; R24-L28 WeakPolarHBondContact O-CB 3.41Å; R24-L28 PolarHBondContact O-N 2.61Å; R24-L28 VanDerWaalsContact O-N 3.07Å; E26-L28 PolarHBondContact O-N 3.36Å; L28-A31 WeakPolarHBondContact O-CB 3.3Å; L28-A31 PolarHBondContact O-N 3.27Å; L28-G32 PolarHBondContact O-N 2.99Å; L28-L33 HydrophobicContact CB-CD2 4.36Å; L28-L33 HydrophobicContact CD2-CD2 4.12Å; L28-L33 WeakPolarHBondContact O-CB 3.27Å; L28-L33 PolarHBondContact O-N 2.85Å; L28-L33 VanDerWaalsContact O-N 3.12Å; L28-F35 HydrophobicContact CB-CD1 4.36Å; L28-F35 HydrophobicContact CB-CE1 3.47Å; L28-F35 VanDerWaalsContact CB-CE1 3.47Å; L28-F35 HydrophobicContact CB-CZ 3.85Å; L28-F200 HydrophobicContact CD1-CE2 4.48Å; L28-F200 HydrophobicContact CD1-CZ 4.36Å; L28-F200 HydrophobicContact CD2-CD1 4.07Å; L28-F200 HydrophobicContact CD2-CE1 3.61Å; L28-F200 HydrophobicContact CD2-CZ 4.02Å; L28-F200 HydrophobicContact CG-CD1 4.47Å; L28-F200 HydrophobicContact CG-CE1 4.33Å; L28-L202 HydrophobicContact CD2-CD1 4.24Å; L28-F205 HydrophobicContact CD2-CD1 4.17Å; L28-F205 HydrophobicContact CD2-CE1 3.94Å
29R91.2Very high92.3Very high142 Ų14254.6 Ų54.654%0.53628%0.281SS..Hα-helixtrans-65.6-42.8174.1-75.9176.1177.4171.6-1.3111.7L25 E26 A31 G32 F35L25-R29 VanDerWaalsContact O-CB 3.25Å; L25-R29 WeakPolarHBondContact O-CB 3.45Å; L25-R29 VanDerWaalsContact O-CG 3.23Å; L25-R29 WeakPolarHBondContact O-CG 3.46Å; L25-R29 PolarHBondContact O-N 2.88Å; E26-R29 PolarHBondContact O-N 3.16Å; R29-A31 PolarHBondContact O-N 3.06Å; R29-G32 WeakPolarHBondContact O-CA 3.49Å; R29-G32 PolarHBondContact O-N 3.39Å; R29-F35 HydrophobicContact CG-CE1 3.89Å; R29-F35 HydrophobicContact CG-CZ 3.79Å
30N87.9Confident92.3Very high101 Ų10155.4 Ų55.454%0.5429%0.287SS..Hα-helixtrans-64.9-25.7176.9-72.2-13.7000112.4E26 I27 G32E26-N30 VanDerWaalsContact CG-ND2 3.27Å; E26-N30 WeakPolarHBondContact CG-ND2 3.08Å; E26-N30 WeakPolarHBondContact O-CB 3.42Å; E26-N30 PolarHBondContact O-N 2.82Å; E26-N30 PolarHBondContact O-ND2 3.32Å; I27-N30 PolarHBondContact O-N 2.98Å; N30-G32 PolarHBondContact O-N 2.96Å
31A85.6Confident92.5Very high2 Ų258.5 Ų58.52%0.01729%0.285CS..THydrogen-bonded Turntrans-76.2-7.9172.500000113.7L3 I27 L28 R29 L202L3-A31 HydrophobicContact CD1-CB 3.63Å; L3-A31 HydrophobicContact CG-CB 4.06Å; L3-A31 PolarHBondContact N-O 3.16Å; L3-A31 VanDerWaalsContact N-O 3.14Å; I27-A31 PolarHBondContact O-N 3.2Å; I27-A31 VanDerWaalsContact O-N 3.1Å; L28-A31 WeakPolarHBondContact O-CB 3.3Å; L28-A31 PolarHBondContact O-N 3.27Å; R29-A31 PolarHBondContact O-N 3.06Å; A31-L202 HydrophobicContact CB-CD1 3.82Å; A31-L202 HydrophobicContact CB-CD2 3.88Å; A31-L202 HydrophobicContact CB-CG 4.49Å
32G86Confident92.5Very high37 Ų3760.2 Ų60.238%0.38129%0.29SS..THydrogen-bonded Turntrans90.18.2-179.500000114.8L28 R29 N30L28-G32 PolarHBondContact O-N 2.99Å; R29-G32 WeakPolarHBondContact O-CA 3.49Å; R29-G32 PolarHBondContact O-N 3.39Å; N30-G32 PolarHBondContact O-N 2.96Å
33L88.5Confident92.1Very high9 Ų964.1 Ų64.15%0.04730%0.299CS..  trans-75.3128.5178.2-169.568.5000110.3L3 L10 V15 L28 F35 I85 F205L3-L33 HydrophobicContact CD1-CB 4.08Å; L10-L33 HydrophobicContact CD1-CD1 3.49Å; L10-L33 VanDerWaalsContact CD1-CD1 3.49Å; V15-L33 HydrophobicContact CG1-CD2 4.28Å; L28-L33 HydrophobicContact CB-CD2 4.36Å; L28-L33 HydrophobicContact CD2-CD2 4.12Å; L28-L33 WeakPolarHBondContact O-CB 3.27Å; L28-L33 PolarHBondContact O-N 2.85Å; L28-L33 VanDerWaalsContact O-N 3.12Å; L33-F35 HydrophobicContact CB-CD1 4.09Å; L33-F35 HydrophobicContact CB-CE1 4.36Å; L33-F35 HydrophobicContact CD2-CD1 3.91Å; L33-F35 HydrophobicContact CD2-CE1 4.48Å; L33-F35 HydrophobicContact CG-CD1 3.86Å; L33-F35 WeakPolarHBondContact O-CD1 3.41Å; L33-F35 WeakPolarHBondContact O-CE1 3.22Å; L33-I85 HydrophobicContact CD2-CD1 3.82Å; L33-F205 HydrophobicContact CD2-CE1 4.45Å
34R89.5Confident91.7Very high230 Ų23065.7 Ų65.787%0.86831%0.307SS*.  trans-94.2127.7170.3-63.8-177.3-179.5-179.1-0.6108.8
35F93.9Very high91.1Very high29 Ų2970.5 Ų70.513%0.12734%0.339CS..  trans-156.6155.6-178.755.8-90.3000111.7V15 L17 L25 L28 R29 L33 V37V15-F35 HydrophobicContact CB-CB 3.96Å; V15-F35 HydrophobicContact CG1-CB 3.84Å; V15-F35 CarbonylContact O-C 3.54Å; V15-F35 WeakPolarHBondContact O-CA 3.29Å; V15-F35 VanDerWaalsContact O-CB 3.3Å; V15-F35 WeakPolarHBondContact O-CB 3.5Å; L17-F35 HydrophobicContact CB-CD2 3.53Å; L17-F35 HydrophobicContact CB-CE2 3.77Å; L17-F35 HydrophobicContact CB-CG 4.34Å; L17-F35 HydrophobicContact CD2-CD2 4.42Å; L17-F35 HydrophobicContact CD2-CE2 3.77Å; L17-F35 HydrophobicContact CD2-CZ 4.28Å; L17-F35 HydrophobicContact CG-CE2 4.4Å; L25-F35 HydrophobicContact CD1-CE2 3.81Å; L25-F35 HydrophobicContact CD1-CZ 4.34Å; L25-F35 HydrophobicContact CG-CE2 4.2Å; L25-F35 HydrophobicContact CG-CZ 4.39Å; L28-F35 HydrophobicContact CB-CD1 4.36Å; L28-F35 HydrophobicContact CB-CE1 3.47Å; L28-F35 VanDerWaalsContact CB-CE1 3.47Å; L28-F35 HydrophobicContact CB-CZ 3.85Å; R29-F35 HydrophobicContact CG-CE1 3.89Å; R29-F35 HydrophobicContact CG-CZ 3.79Å; L33-F35 HydrophobicContact CB-CD1 4.09Å; L33-F35 HydrophobicContact CB-CE1 4.36Å; L33-F35 HydrophobicContact CD2-CD1 3.91Å; L33-F35 HydrophobicContact CD2-CE1 4.48Å; L33-F35 HydrophobicContact CG-CD1 3.86Å; L33-F35 WeakPolarHBondContact O-CD1 3.41Å; L33-F35 WeakPolarHBondContact O-CE1 3.22Å; F35-V37 HydrophobicContact CD2-CG2 4.11Å; F35-V37 HydrophobicContact CE2-CG2 3.89Å
36E95.9Very high90.9Very high84 Ų8471.2 Ų71.239%0.39334%0.343SS..EExtended strand (participates in β ladder)trans-86.9146.9167.6-71.7-178.1-175.900110.6L14 V15 V16 L17 K79L14-E36 HydrophobicContact CD1-CG 4.08Å; V15-E36 PolarHBondContact O-N 2.85Å; V16-E36 CarbonylContact C-O 3.52Å; V16-E36 WeakPolarHBondContact CA-O 3.4Å; V16-E36 HydrophobicContact CG2-CB 4.46Å; L17-E36 PolarHBondContact N-O 3.28Å; E36-K79 IonicContact OE1-NZ 3.43Å; E36-K79 PolarHBondContact OE1-NZ 2.96Å; E36-K79 IonicContact OE2-NZ 3.24Å; E36-K79 PolarHBondContact OE2-NZ 3.35Å
37V96.8Very high90.8Very high54 Ų5469.8 Ų69.833%0.32734%0.338SS..EExtended strand (participates in β ladder)trans-104.3112.8-178.1-173.60000108.2S19 L25 F35S19-V37 WeakPolarHBondContact O-CG1 3.47Å; L25-V37 HydrophobicContact CD1-CB 4.37Å; L25-V37 HydrophobicContact CD1-CG1 3.84Å; L25-V37 HydrophobicContact CD1-CG2 3.58Å; L25-V37 HydrophobicContact CD2-CG2 4.16Å; L25-V37 HydrophobicContact CG-CG2 4.13Å; F35-V37 HydrophobicContact CD2-CG2 4.11Å; F35-V37 HydrophobicContact CE2-CG2 3.89Å
38V96.9Very high90.7Very high17 Ų1772.6 Ų72.610%0.10335%0.35CS..  trans-128.592.7178.5-176.80000108V16 L17 A18 S40 V69 M73V16-V38 HydrophobicContact CG1-CB 3.77Å; V16-V38 HydrophobicContact CG1-CG2 3.78Å; L17-V38 PolarHBondContact O-N 3.14Å; A18-V38 VanDerWaalsContact CA-O 3.3Å; A18-V38 WeakPolarHBondContact CA-O 3.36Å; V38-S40 PolarHBondContact O-N 3.29Å; V38-V69 HydrophobicContact CB-CG1 3.99Å; V38-V69 HydrophobicContact CG1-CG1 3.89Å; V38-V69 HydrophobicContact CG1-CG2 4.41Å; V38-V69 WeakPolarHBondContact O-CG2 3.21Å; V38-M73 HydrophobicContact CB-SD 4.35Å; V38-M73 HydrophobicContact CG1-CG 4.49Å; V38-M73 HydrophobicContact CG1-SD 4.37Å; V38-M73 HydrophobicContact CG2-CE 4.31Å; V38-M73 HydrophobicContact CG2-SD 3.96Å
39P96.1Very high90.5Very high56 Ų5682.6 Ų82.636%0.36439%0.387SS..  trans-56.2136.9178.6-26.135.9000111.8R72P39-R72 PolarHBondContact O-NH2 3.35Å
40S95.8Very high90.5Very high27 Ų2782.2 Ų82.219%0.18940%0.395CS..  trans-71.6147.7175.4-177.90000111.6V38 F42 K65 E68V38-S40 PolarHBondContact O-N 3.29Å; S40-F42 WeakPolarHBondContact OG-CB 3.45Å; S40-F42 PolarHBondContact OG-N 3.45Å; S40-F42 VanDerWaalsContact OG-N 3.1Å; S40-K65 WeakPolarHBondContact OG-CA 3.4Å; S40-K65 PolarHBondContact OG-O 2.85Å; S40-E68 VanDerWaalsContact CA-OE2 3.24Å; S40-E68 WeakPolarHBondContact CA-OE2 3.1Å; S40-E68 WeakPolarHBondContact CB-OE2 3.34Å; S40-E68 PolarHBondContact OG-OE2 3.17Å
41W93.5Very high90.8Very high154 Ų15479.7 Ų79.758%0.58338%0.38SS*.  trans-94.72.4171.5-62.1-15.4000113.3K43 E68 K76W41-K43 PolarHBondContact O-N 3.29Å; W41-E68 PolarHBondContact N-OE2 2.97Å; W41-K76 HydrophobicContact CH2-CD 4.27Å; W41-K76 HydrophobicContact CZ3-CD 4.35Å
42F93.1Very high91Very high50 Ų5089.2 Ų89.222%0.21942%0.421CS..  trans-59.5122176.7-177.7-103.6000110.4S40 E44 L46 T61 Q64 K65S40-F42 WeakPolarHBondContact OG-CB 3.45Å; S40-F42 PolarHBondContact OG-N 3.45Å; S40-F42 VanDerWaalsContact OG-N 3.1Å; F42-E44 PolarHBondContact O-N 3.13Å; F42-L46 HydrophobicContact CE1-CD1 4.32Å; F42-L46 HydrophobicContact CE1-CG 4.24Å; F42-L46 HydrophobicContact CZ-CD1 4.15Å; F42-L46 HydrophobicContact CZ-CD2 3.95Å; F42-L46 HydrophobicContact CZ-CG 3.87Å; F42-T61 HydrophobicContact CE1-CG2 4.48Å; F42-Q64 HydrophobicContact CD1-CB 3.92Å; F42-Q64 HydrophobicContact CD2-CB 3.76Å; F42-Q64 HydrophobicContact CE1-CB 3.73Å; F42-Q64 HydrophobicContact CE1-CG 4.34Å; F42-Q64 HydrophobicContact CE2-CB 3.57Å; F42-Q64 HydrophobicContact CE2-CG 3.92Å; F42-Q64 HydrophobicContact CG-CB 3.93Å; F42-Q64 HydrophobicContact CZ-CB 3.55Å; F42-Q64 HydrophobicContact CZ-CG 3.79Å; F42-K65 HydrophobicContact CB-CG 4.23Å; F42-K65 HydrophobicContact CD1-CG 4.26Å
43K83.9Confident91.3Very high167 Ų16788.6 Ų88.673%0.72641%0.412SS*.  trans-77.8119.9174.8-63.8-175.9179.5-178.90107.8W41 T45W41-K43 PolarHBondContact O-N 3.29Å; K43-T45 HydrophobicContact CB-CG2 4.05Å; K43-T45 PolarHBondContact O-N 2.84Å; K43-T45 PolarHBondContact O-OG1 2.94Å
44E82.2Confident91.6Very high69 Ų6989.7 Ų89.732%0.32242%0.42SS..  trans-70.156.5-178.7-63.2171.1-159.300111.8F42 T61 K65F42-E44 PolarHBondContact O-N 3.13Å; E44-T61 HydrophobicContact CG-CG2 4.08Å; E44-K65 VanDerWaalsContact CD-NZ 3.25Å; E44-K65 WeakPolarHBondContact OE1-CE 3.5Å; E44-K65 IonicContact OE1-NZ 3.17Å; E44-K65 PolarHBondContact OE1-NZ 3.45Å; E44-K65 IonicContact OE2-NZ 3.76Å
45T83.8Confident91.9Very high119 Ų11981 Ų8173%0.7339%0.389SS*.  trans-112.522.4-172.1590000112.6K43K43-T45 HydrophobicContact CB-CG2 4.05Å; K43-T45 PolarHBondContact O-N 2.84Å; K43-T45 PolarHBondContact O-OG1 2.94Å
46L90.2Very high92Very high47 Ų4783.2 Ų83.225%0.24640%0.4CS..  trans-62.6136.8175.3-66178.1000110.1F42 K48 F51 Y57 E60F42-L46 HydrophobicContact CE1-CD1 4.32Å; F42-L46 HydrophobicContact CE1-CG 4.24Å; F42-L46 HydrophobicContact CZ-CD1 4.15Å; F42-L46 HydrophobicContact CZ-CD2 3.95Å; F42-L46 HydrophobicContact CZ-CG 3.87Å; L46-K48 PolarHBondContact O-N 2.92Å; L46-K48 VanDerWaalsContact O-N 3.13Å; L46-F51 HydrophobicContact CB-CE2 4.26Å; L46-F51 HydrophobicContact CD1-CZ 4.25Å; L46-Y57 HydrophobicContact CB-CD2 4.43Å; L46-Y57 HydrophobicContact CB-CE2 3.75Å; L46-E60 HydrophobicContact CD1-CB 4.45Å; L46-E60 HydrophobicContact CD1-CG 4.04Å
47D90.4Very high92Very high58 Ų5879.2 Ų79.231%0.3138%0.381SS..  trans-72.2108.1177.3-174.1-8.9000109.8R49 L50 F51D47-R49 PolarHBondContact O-N 3.19Å; D47-R49 WeakPolarHBondContact OD1-CB 3.4Å; D47-R49 WeakPolarHBondContact OD1-CG 3.14Å; D47-R49 IonicContact OD1-CZ 3.34Å; D47-R49 PolarHBondContact OD1-N 2.9Å; D47-R49 IonicContact OD1-NE 2.74Å; D47-R49 PolarHBondContact OD1-NE 3.07Å; D47-R49 IonicContact OD1-NH2 2.71Å; D47-R49 IonicContact OD2-CZ 3.23Å; D47-R49 IonicContact OD2-NE 3.58Å; D47-R49 PolarHBondContact OD2-NE 3.23Å; D47-R49 VanDerWaalsContact OD2-NE 3.17Å; D47-R49 IonicContact OD2-NH2 2.8Å; D47-R49 PolarHBondContact OD2-NH2 3.28Å; D47-L50 HydrophobicContact CB-CD1 3.96Å; D47-L50 HydrophobicContact CB-CG 4.04Å; D47-L50 WeakPolarHBondContact O-CB 3.48Å; D47-L50 PolarHBondContact O-N 3.36Å; D47-F51 WeakPolarHBondContact O-CD2 3.42Å; D47-F51 WeakPolarHBondContact O-CE2 3.35Å
48K91Very high92Very high72 Ų7276.6 Ų76.631%0.31337%0.365SS..G310 helixtrans-55.4-24.5-178.9-66.2173.7170.773.40113L46 L50 F51 Y57 I97 E99L46-K48 PolarHBondContact O-N 2.92Å; L46-K48 VanDerWaalsContact O-N 3.13Å; K48-L50 PolarHBondContact O-N 3.28Å; K48-F51 PolarHBondContact O-N 2.93Å; K48-Y57 HydrophobicContact CG-CD2 3.95Å; K48-Y57 HydrophobicContact CG-CE2 3.62Å; K48-I97 HydrophobicContact CB-CD1 4.44Å; K48-I97 HydrophobicContact CD-CB 4.2Å; K48-I97 HydrophobicContact CD-CD1 4.44Å; K48-I97 HydrophobicContact CD-CG2 4.3Å; K48-I97 HydrophobicContact CG-CD1 4.38Å; K48-E99 VanDerWaalsContact CE-OE1 3.23Å; K48-E99 WeakPolarHBondContact CE-OE1 3.26Å; K48-E99 IonicContact NZ-OE1 3.71Å; K48-E99 PolarHBondContact NZ-OE1 3.48Å; K48-E99 IonicContact NZ-OE2 2.94Å; K48-E99 PolarHBondContact NZ-OE2 2.99Å
49R89.5Confident92Very high210 Ų21076.7 Ų76.779%0.79237%0.366SS*.G310 helixtrans-72.4-13.9-180-60.9172.6-66.7-177.83.7113.9D47 F51D47-R49 PolarHBondContact O-N 3.19Å; D47-R49 WeakPolarHBondContact OD1-CB 3.4Å; D47-R49 WeakPolarHBondContact OD1-CG 3.14Å; D47-R49 IonicContact OD1-CZ 3.34Å; D47-R49 PolarHBondContact OD1-N 2.9Å; D47-R49 IonicContact OD1-NE 2.74Å; D47-R49 PolarHBondContact OD1-NE 3.07Å; D47-R49 IonicContact OD1-NH2 2.71Å; D47-R49 IonicContact OD2-CZ 3.23Å; D47-R49 IonicContact OD2-NE 3.58Å; D47-R49 PolarHBondContact OD2-NE 3.23Å; D47-R49 VanDerWaalsContact OD2-NE 3.17Å; D47-R49 IonicContact OD2-NH2 2.8Å; D47-R49 PolarHBondContact OD2-NH2 3.28Å; R49-F51 VanDerWaalsContact C-N 3.28Å
50L91Very high92.1Very high135 Ų13576.3 Ų76.371%0.70736%0.359SS*.G310 helixtrans-80.7-10.5179.6-62.3177000113.1D47 K48D47-L50 HydrophobicContact CB-CD1 3.96Å; D47-L50 HydrophobicContact CB-CG 4.04Å; D47-L50 WeakPolarHBondContact O-CB 3.48Å; D47-L50 PolarHBondContact O-N 3.36Å; K48-L50 PolarHBondContact O-N 3.28Å
51F92.7Very high92.1Very high47 Ų4775 Ų7521%0.20635%0.35CS..  trans-105.2134-175.1-58.6-85.1000110.1L46 D47 K48 R49 A53 E56 Y57 E60L46-F51 HydrophobicContact CB-CE2 4.26Å; L46-F51 HydrophobicContact CD1-CZ 4.25Å; D47-F51 WeakPolarHBondContact O-CD2 3.42Å; D47-F51 WeakPolarHBondContact O-CE2 3.35Å; K48-F51 PolarHBondContact O-N 2.93Å; R49-F51 VanDerWaalsContact C-N 3.28Å; F51-A53 VanDerWaalsContact C-N 3.33Å; F51-E56 HydrophobicContact CB-CB 4.26Å; F51-E56 HydrophobicContact CD1-CB 3.79Å; F51-E56 HydrophobicContact CG-CB 4.47Å; F51-Y57 AromaticContact CD2-CD2 3.67Å; F51-Y57 HydrophobicContact CD2-CD2 3.67Å; F51-Y57 HydrophobicContact CD2-CG 4.36Å; F51-Y57 AromaticContact CE2-CD2 3.59Å; F51-Y57 HydrophobicContact CE2-CD2 3.59Å; F51-Y57 HydrophobicContact CE2-CE2 4.33Å; F51-Y57 HydrophobicContact CG-CD2 4.44Å; F51-Y57 HydrophobicContact CZ-CD2 4.3Å; F51-E60 HydrophobicContact CE1-CB 3.69Å; F51-E60 HydrophobicContact CE1-CG 3.99Å; F51-E60 HydrophobicContact CZ-CB 4.06Å; F51-E60 HydrophobicContact CZ-CG 4.07Å
52K90.4Very high92.3Very high202 Ų20267.7 Ų67.788%0.87832%0.322SS*.SBendtrans-77.2-27-179.9-67.6-179.5-178.7175.90111.4E56K52-E56 PolarHBondContact N-OE2 2.92Å
53A93.3Very high92.5Very high24 Ų2467.8 Ų67.820%0.19832%0.322CS..SBendtrans-137.7149.717800000111.9F51 H55 E56F51-A53 VanDerWaalsContact C-N 3.33Å; A53-H55 VanDerWaalsContact C-N 3.3Å; A53-H55 WeakPolarHBondContact CB-CE1 3.43Å; A53-H55 WeakPolarHBondContact CB-ND1 3.45Å; A53-H55 PolarHBondContact O-N 2.83Å; A53-E56 HydrophobicContact CB-CG 4.27Å; A53-E56 PolarHBondContact N-OE2 2.92Å; A53-E56 WeakPolarHBondContact O-CB 3.4Å; A53-E56 PolarHBondContact O-N 3.13Å; A53-E56 VanDerWaalsContact O-N 3.13Å
54P94.2Very high93.2Very high33 Ų3362.4 Ų62.421%0.21430%0.3CS..Hα-helixtrans-60.3-33.9-178.5-26.735.3000115E56 Y57 A58 I90 T92 I97 F122P54-E56 VanDerWaalsContact C-N 3.27Å; P54-E56 PolarHBondContact O-N 2.81Å; P54-Y57 WeakPolarHBondContact O-CB 3.36Å; P54-Y57 PolarHBondContact O-N 2.9Å; P54-A58 PolarHBondContact O-N 3.26Å; P54-I90 HydrophobicContact CB-CD1 3.85Å; P54-I90 VanDerWaalsContact O-CD1 3.27Å; P54-I90 WeakPolarHBondContact O-CD1 3.38Å; P54-T92 HydrophobicContact CB-CG2 3.54Å; P54-T92 HydrophobicContact CG-CG2 3.83Å; P54-I97 HydrophobicContact CB-CD1 4.16Å; P54-I97 HydrophobicContact CB-CG1 4.11Å; P54-I97 HydrophobicContact CG-CG1 4.41Å; P54-F122 HydrophobicContact CB-CD2 4.17Å; P54-F122 HydrophobicContact CB-CE2 4.18Å
55H94.8Very high93.9Very high47 Ų4759.8 Ų59.822%0.21829%0.288CS..Hα-helixtrans-64.2-32.8178.263.2-95.8000112.2A53 Y57 A58 V59 F122 Y146A53-H55 VanDerWaalsContact C-N 3.3Å; A53-H55 WeakPolarHBondContact CB-CE1 3.43Å; A53-H55 WeakPolarHBondContact CB-ND1 3.45Å; A53-H55 PolarHBondContact O-N 2.83Å; H55-Y57 VanDerWaalsContact C-N 3.29Å; H55-Y57 PolarHBondContact O-N 3.35Å; H55-A58 PolarHBondContact O-N 2.89Å; H55-V59 WeakPolarHBondContact O-CB 3.41Å; H55-V59 VanDerWaalsContact O-CG2 3.29Å; H55-V59 WeakPolarHBondContact O-CG2 3.41Å; H55-V59 PolarHBondContact O-N 3.26Å; H55-F122 HydrophobicContact CB-CD1 3.72Å; H55-F122 HydrophobicContact CB-CE1 4.05Å; H55-F122 HydrophobicContact CB-CG 4.36Å; H55-Y146 HydrophobicContact CB-CD1 4.09Å; H55-Y146 HydrophobicContact CB-CD2 3.64Å; H55-Y146 HydrophobicContact CB-CE1 4.33Å; H55-Y146 HydrophobicContact CB-CE2 3.9Å; H55-Y146 HydrophobicContact CB-CG 3.74Å; H55-Y146 AromaticContact CD2-CD1 3.77Å; H55-Y146 AromaticContact CD2-CE1 3.51Å; H55-Y146 AromaticContact CD2-CZ 3.85Å; H55-Y146 AromaticContact CG-CE1 3.92Å; H55-Y146 AromaticContact CG-CE2 3.98Å; H55-Y146 AromaticContact CG-CZ 3.85Å
56E96.3Very high94.6Very high75 Ų7554.1 Ų54.135%0.3525%0.253SS..Hα-helixtrans-62.4-39.6176-59.1176165.400110.7F51 K52 A53 P54 E60F51-E56 HydrophobicContact CB-CB 4.26Å; F51-E56 HydrophobicContact CD1-CB 3.79Å; F51-E56 HydrophobicContact CG-CB 4.47Å; K52-E56 PolarHBondContact N-OE2 2.92Å; A53-E56 HydrophobicContact CB-CG 4.27Å; A53-E56 PolarHBondContact N-OE2 2.92Å; A53-E56 WeakPolarHBondContact O-CB 3.4Å; A53-E56 PolarHBondContact O-N 3.13Å; A53-E56 VanDerWaalsContact O-N 3.13Å; P54-E56 VanDerWaalsContact C-N 3.27Å; P54-E56 PolarHBondContact O-N 2.81Å; E56-E60 WeakPolarHBondContact O-CB 3.28Å; E56-E60 PolarHBondContact O-N 3.35Å
57Y96.3Very high94.9Very high0 Ų052.5 Ų52.50%024%0.244CC..Hα-helixtrans-62.5-47.3175176.3-92.6000112L46 K48 F51 P54 H55 E60 T61 I90 I97 E99L46-Y57 HydrophobicContact CB-CD2 4.43Å; L46-Y57 HydrophobicContact CB-CE2 3.75Å; K48-Y57 HydrophobicContact CG-CD2 3.95Å; K48-Y57 HydrophobicContact CG-CE2 3.62Å; F51-Y57 AromaticContact CD2-CD2 3.67Å; F51-Y57 HydrophobicContact CD2-CD2 3.67Å; F51-Y57 HydrophobicContact CD2-CG 4.36Å; F51-Y57 AromaticContact CE2-CD2 3.59Å; F51-Y57 HydrophobicContact CE2-CD2 3.59Å; F51-Y57 HydrophobicContact CE2-CE2 4.33Å; F51-Y57 HydrophobicContact CG-CD2 4.44Å; F51-Y57 HydrophobicContact CZ-CD2 4.3Å; P54-Y57 WeakPolarHBondContact O-CB 3.36Å; P54-Y57 PolarHBondContact O-N 2.9Å; H55-Y57 VanDerWaalsContact C-N 3.29Å; H55-Y57 PolarHBondContact O-N 3.35Å; Y57-E60 PolarHBondContact O-N 3.44Å; Y57-T61 WeakPolarHBondContact O-CB 3.41Å; Y57-T61 PolarHBondContact O-N 3.34Å; Y57-T61 PolarHBondContact O-OG1 3.48Å; Y57-I90 HydrophobicContact CD1-CD1 4.28Å; Y57-I90 HydrophobicContact CD1-CG2 4.2Å; Y57-I90 HydrophobicContact CE1-CG2 4.2Å; Y57-I97 HydrophobicContact CD1-CD1 4.38Å; Y57-I97 HydrophobicContact CG-CD1 4.26Å; Y57-E99 WeakPolarHBondContact CE1-OE1 3.44Å; Y57-E99 PolarHBondContact OH-OE1 3.43Å
58A96.3Very high95.2Very high0 Ų051.8 Ų51.80%024%0.239CC..Hα-helixtrans-64.2-42.918000000111.5P54 H55 T61 A62 D88 I90P54-A58 PolarHBondContact O-N 3.26Å; H55-A58 PolarHBondContact O-N 2.89Å; A58-T61 PolarHBondContact O-N 3.01Å; A58-A62 WeakPolarHBondContact O-CB 3.41Å; A58-A62 PolarHBondContact O-N 3.09Å; A58-D88 WeakPolarHBondContact O-CB 3.5Å; A58-I90 HydrophobicContact CB-CD1 4.1Å; A58-I90 HydrophobicContact CB-CG1 4.13Å
59V97.8Very high95.5Very high18 Ų1848.4 Ų48.411%0.10922%0.224CC..Hα-helixtrans-63.5-49.3177.2170.30000111.2H55 T61 A62 K63 D144H55-V59 WeakPolarHBondContact O-CB 3.41Å; H55-V59 VanDerWaalsContact O-CG2 3.29Å; H55-V59 WeakPolarHBondContact O-CG2 3.41Å; H55-V59 PolarHBondContact O-N 3.26Å; V59-T61 VanDerWaalsContact C-N 3.31Å; V59-T61 PolarHBondContact O-N 3.12Å; V59-A62 WeakPolarHBondContact O-CB 3.37Å; V59-A62 PolarHBondContact O-N 3.34Å; V59-K63 WeakPolarHBondContact O-CB 3.5Å; V59-K63 PolarHBondContact O-N 2.92Å; V59-D144 HydrophobicContact CG1-CB 3.84Å
60E97.6Very high95.8Very high48 Ų4838.4 Ų38.422%0.22419%0.187CC..Hα-helixtrans-63.6-39.2-179.4-17257.9-145.300111.1L46 F51 E56 Y57 K63 Q64L46-E60 HydrophobicContact CD1-CB 4.45Å; L46-E60 HydrophobicContact CD1-CG 4.04Å; F51-E60 HydrophobicContact CE1-CB 3.69Å; F51-E60 HydrophobicContact CE1-CG 3.99Å; F51-E60 HydrophobicContact CZ-CB 4.06Å; F51-E60 HydrophobicContact CZ-CG 4.07Å; E56-E60 WeakPolarHBondContact O-CB 3.28Å; E56-E60 PolarHBondContact O-N 3.35Å; Y57-E60 PolarHBondContact O-N 3.44Å; E60-K63 WeakPolarHBondContact O-CB 3.46Å; E60-K63 PolarHBondContact O-N 3.15Å; E60-K63 WeakPolarHBondContact OE2-CD 3.41Å; E60-K63 IonicContact OE2-NZ 3.55Å; E60-K63 PolarHBondContact OE2-NZ 3.09Å; E60-Q64 VanDerWaalsContact O-CG 3.29Å; E60-Q64 WeakPolarHBondContact O-CG 3.22Å; E60-Q64 PolarHBondContact O-N 2.91Å; E60-Q64 PolarHBondContact OE1-NE2 3.48Å
61T96.3Very high95.9Very high0 Ų038.4 Ų38.40%018%0.177CC..Hα-helixtrans-63.7-43.5174.9-57.10000112F42 E44 Y57 A58 V59 K63 Q64 K65 D88F42-T61 HydrophobicContact CE1-CG2 4.48Å; E44-T61 HydrophobicContact CG-CG2 4.08Å; Y57-T61 WeakPolarHBondContact O-CB 3.41Å; Y57-T61 PolarHBondContact O-N 3.34Å; Y57-T61 PolarHBondContact O-OG1 3.48Å; A58-T61 PolarHBondContact O-N 3.01Å; V59-T61 VanDerWaalsContact C-N 3.31Å; V59-T61 PolarHBondContact O-N 3.12Å; T61-K63 VanDerWaalsContact C-N 3.34Å; T61-K63 PolarHBondContact O-N 3.29Å; T61-Q64 PolarHBondContact O-N 2.99Å; T61-K65 HydrophobicContact CG2-CD 4.41Å; T61-K65 WeakPolarHBondContact O-CG 3.44Å; T61-K65 PolarHBondContact O-N 3.48Å; T61-K65 VanDerWaalsContact O-N 3.13Å; T61-D88 HydrophobicContact CG2-CB 3.96Å
62A97.6Very high96Very high0 Ų037.3 Ų37.30%017%0.172CC..Hα-helixtrans-61.8-42.117600000112.1A58 V59 K65 A66 D88 G124 A126A58-A62 WeakPolarHBondContact O-CB 3.41Å; A58-A62 PolarHBondContact O-N 3.09Å; V59-A62 WeakPolarHBondContact O-CB 3.37Å; V59-A62 PolarHBondContact O-N 3.34Å; A62-K65 PolarHBondContact O-N 3.27Å; A62-A66 PolarHBondContact O-N 3.13Å; A62-D88 HydrophobicContact CB-CB 4.12Å; A62-G124 WeakPolarHBondContact CB-O 3.2Å; A62-A126 HydrophobicContact CB-CB 4.39Å
63K97.8Very high96.1Very high52 Ų5227.8 Ų27.823%0.22613%0.131CC..Hα-helixtrans-63-48177171.3-175.8174-177.90112.3V59 E60 T61 K65 A66 L67 A126 L142V59-K63 WeakPolarHBondContact O-CB 3.5Å; V59-K63 PolarHBondContact O-N 2.92Å; E60-K63 WeakPolarHBondContact O-CB 3.46Å; E60-K63 PolarHBondContact O-N 3.15Å; E60-K63 WeakPolarHBondContact OE2-CD 3.41Å; E60-K63 IonicContact OE2-NZ 3.55Å; E60-K63 PolarHBondContact OE2-NZ 3.09Å; T61-K63 VanDerWaalsContact C-N 3.34Å; T61-K63 PolarHBondContact O-N 3.29Å; K63-K65 VanDerWaalsContact C-N 3.28Å; K63-K65 PolarHBondContact O-N 3.44Å; K63-A66 PolarHBondContact O-N 3.19Å; K63-L67 HydrophobicContact CG-CD1 3.79Å; K63-L67 HydrophobicContact CG-CG 4.44Å; K63-L67 WeakPolarHBondContact O-CB 3.41Å; K63-L67 WeakPolarHBondContact O-CG 3.35Å; K63-L67 PolarHBondContact O-N 3.07Å; K63-A126 HydrophobicContact CB-CB 4.13Å; K63-L142 HydrophobicContact CD-CD2 3.52Å; K63-L142 HydrophobicContact CG-CD1 4.2Å; K63-L142 HydrophobicContact CG-CD2 3.66Å
64Q97.7Very high95.9Very high55 Ų5528 Ų2826%0.25713%0.129SC..Hα-helixtrans-61.1-39.2177.7-68.1-59.5-35.800111.6F42 E60 T61 E68F42-Q64 HydrophobicContact CD1-CB 3.92Å; F42-Q64 HydrophobicContact CD2-CB 3.76Å; F42-Q64 HydrophobicContact CE1-CB 3.73Å; F42-Q64 HydrophobicContact CE1-CG 4.34Å; F42-Q64 HydrophobicContact CE2-CB 3.57Å; F42-Q64 HydrophobicContact CE2-CG 3.92Å; F42-Q64 HydrophobicContact CG-CB 3.93Å; F42-Q64 HydrophobicContact CZ-CB 3.55Å; F42-Q64 HydrophobicContact CZ-CG 3.79Å; E60-Q64 VanDerWaalsContact O-CG 3.29Å; E60-Q64 WeakPolarHBondContact O-CG 3.22Å; E60-Q64 PolarHBondContact O-N 2.91Å; E60-Q64 PolarHBondContact OE1-NE2 3.48Å; T61-Q64 PolarHBondContact O-N 2.99Å; Q64-E68 WeakPolarHBondContact O-CB 3.32Å; Q64-E68 PolarHBondContact O-N 2.93Å
65K97.2Very high95.6Very high14 Ų1431.8 Ų31.86%0.06115%0.152CC..Hα-helixtrans-61.7-46.3174.2-72.1169.7177.2176.80112.7S40 F42 E44 T61 A62 K63 V69 D88S40-K65 WeakPolarHBondContact OG-CA 3.4Å; S40-K65 PolarHBondContact OG-O 2.85Å; F42-K65 HydrophobicContact CB-CG 4.23Å; F42-K65 HydrophobicContact CD1-CG 4.26Å; E44-K65 VanDerWaalsContact CD-NZ 3.25Å; E44-K65 WeakPolarHBondContact OE1-CE 3.5Å; E44-K65 IonicContact OE1-NZ 3.17Å; E44-K65 PolarHBondContact OE1-NZ 3.45Å; E44-K65 IonicContact OE2-NZ 3.76Å; T61-K65 HydrophobicContact CG2-CD 4.41Å; T61-K65 WeakPolarHBondContact O-CG 3.44Å; T61-K65 PolarHBondContact O-N 3.48Å; T61-K65 VanDerWaalsContact O-N 3.13Å; A62-K65 PolarHBondContact O-N 3.27Å; K63-K65 VanDerWaalsContact C-N 3.28Å; K63-K65 PolarHBondContact O-N 3.44Å; K65-V69 PolarHBondContact O-N 2.87Å; K65-D88 IonicContact NZ-OD1 3.75Å; K65-D88 PolarHBondContact NZ-OD1 2.85Å
66A97.8Very high95.1Very high0 Ų036 Ų360%017%0.17CC..Hα-helixtrans-66.1-47.6-179.900000111.9A62 K63 E68 V69 A70 V84 A126 V128A62-A66 PolarHBondContact O-N 3.13Å; K63-A66 PolarHBondContact O-N 3.19Å; A66-E68 PolarHBondContact O-N 3.32Å; A66-V69 PolarHBondContact O-N 2.85Å; A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 3.43Å; A66-V84 HydrophobicContact CB-CG1 4.29Å; A66-V84 WeakPolarHBondContact O-CG1 3.4Å; A66-A126 HydrophobicContact CB-CB 4.1Å; A66-V128 HydrophobicContact CB-CG2 3.67Å
67L97Very high94.5Very high13 Ų1336.8 Ų36.87%0.06817%0.173CC..Hα-helixtrans-64.9-37.2-179.9-72.7172.8000112.6K63 A70 R71 V128K63-L67 HydrophobicContact CG-CD1 3.79Å; K63-L67 HydrophobicContact CG-CG 4.44Å; K63-L67 WeakPolarHBondContact O-CB 3.41Å; K63-L67 WeakPolarHBondContact O-CG 3.35Å; K63-L67 PolarHBondContact O-N 3.07Å; L67-A70 PolarHBondContact O-N 3.07Å; L67-R71 WeakPolarHBondContact O-CB 3.41Å; L67-R71 VanDerWaalsContact O-CG 3.28Å; L67-R71 WeakPolarHBondContact O-CG 3.46Å; L67-R71 PolarHBondContact O-N 2.74Å; L67-V128 HydrophobicContact CD2-CG1 4.22Å; L67-V128 HydrophobicContact CD2-CG2 3.92Å; L67-V128 HydrophobicContact CG-CG2 4.26Å
68E96.9Very high93.9Very high43 Ų4344.2 Ų44.220%0.20121%0.212CC..Hα-helixtrans-59.7-47.2175.8-175-80.8146.600111.2S40 W41 Q64 A66 R72S40-E68 VanDerWaalsContact CA-OE2 3.24Å; S40-E68 WeakPolarHBondContact CA-OE2 3.1Å; S40-E68 WeakPolarHBondContact CB-OE2 3.34Å; S40-E68 PolarHBondContact OG-OE2 3.17Å; W41-E68 PolarHBondContact N-OE2 2.97Å; Q64-E68 WeakPolarHBondContact O-CB 3.32Å; Q64-E68 PolarHBondContact O-N 2.93Å; A66-E68 PolarHBondContact O-N 3.32Å; E68-R72 WeakPolarHBondContact O-CB 2.92Å; E68-R72 PolarHBondContact O-N 3.45Å; E68-R72 WeakPolarHBondContact OE1-CD 3.36Å; E68-R72 IonicContact OE1-CZ 3.91Å; E68-R72 IonicContact OE1-NE 3.97Å; E68-R72 PolarHBondContact OE1-NE 3.19Å; E68-R72 IonicContact OE1-NH2 2.97Å; E68-R72 PolarHBondContact OE1-NH2 3.49Å; E68-R72 IonicContact OE2-NE 3.59Å; E68-R72 IonicContact OE2-NH2 3.61Å; E68-R72 PolarHBondContact OE2-NH2 3.11Å
69V96.8Very high93.4Very high0 Ų048 Ų480%023%0.229CC..Hα-helixtrans-66.6-46.2177.1172.50000110.9V16 A18 V38 K65 A66 R71 R72 M73 V84V16-V69 HydrophobicContact CG1-CG1 3.84Å; A18-V69 HydrophobicContact CB-CB 4.04Å; A18-V69 HydrophobicContact CB-CG1 4.47Å; A18-V69 HydrophobicContact CB-CG2 3.69Å; V38-V69 HydrophobicContact CB-CG1 3.99Å; V38-V69 HydrophobicContact CG1-CG1 3.89Å; V38-V69 HydrophobicContact CG1-CG2 4.41Å; V38-V69 WeakPolarHBondContact O-CG2 3.21Å; K65-V69 PolarHBondContact O-N 2.87Å; A66-V69 PolarHBondContact O-N 2.85Å; V69-R71 VanDerWaalsContact C-N 3.31Å; V69-R71 PolarHBondContact O-N 2.93Å; V69-R72 PolarHBondContact O-N 3.27Å; V69-M73 HydrophobicContact CG1-CG 3.98Å; V69-M73 HydrophobicContact CG1-SD 3.69Å; V69-M73 WeakPolarHBondContact O-CB 3.35Å; V69-M73 VanDerWaalsContact O-CG 3.28Å; V69-M73 WeakPolarHBondContact O-CG 3.42Å; V69-M73 PolarHBondContact O-N 3.37Å; V69-V84 HydrophobicContact CB-CG1 4Å; V69-V84 HydrophobicContact CG1-CG1 3.9Å
70A95.6Very high93Very high0 Ų048.8 Ų48.80%023%0.233CC..Hα-helixtrans-57-42.3179.900000112.5A66 L67 P74 V84 V128 Y140A66-A70 WeakPolarHBondContact O-CB 3.44Å; A66-A70 PolarHBondContact O-N 3.43Å; L67-A70 PolarHBondContact O-N 3.07Å; A70-P74 WeakPolarHBondContact O-CD 3.48Å; A70-V84 HydrophobicContact CB-CB 4.3Å; A70-V84 HydrophobicContact CB-CG2 3.78Å; A70-V128 HydrophobicContact CB-CB 4.46Å; A70-V128 HydrophobicContact CB-CG1 3.96Å; A70-Y140 HydrophobicContact CB-CD1 4.03Å; A70-Y140 HydrophobicContact CB-CE1 3.76Å
71R94.4Very high92.8Very high136 Ų13646.5 Ų46.551%0.51322%0.223SC..Hα-helixtrans-78.4-32.1179.2-67.8170.1-179.1161.1-0.4113.4L67 V69 Y140L67-R71 WeakPolarHBondContact O-CB 3.41Å; L67-R71 VanDerWaalsContact O-CG 3.28Å; L67-R71 WeakPolarHBondContact O-CG 3.46Å; L67-R71 PolarHBondContact O-N 2.74Å; V69-R71 VanDerWaalsContact C-N 3.31Å; V69-R71 PolarHBondContact O-N 2.93Å; R71-Y140 HydrophobicContact CG-CE1 4.41Å; R71-Y140 HydrophobicContact CG-CE2 4.11Å
72R94.3Very high92.7Very high24 Ų2449.5 Ų49.59%0.09124%0.239CC..Hα-helixtrans-77.5-36.4-177.7176.5169.149.687.2-2.8112.7P39 E68 V69 V75 K76 H77P39-R72 PolarHBondContact O-NH2 3.35Å; E68-R72 WeakPolarHBondContact O-CB 2.92Å; E68-R72 PolarHBondContact O-N 3.45Å; E68-R72 WeakPolarHBondContact OE1-CD 3.36Å; E68-R72 IonicContact OE1-CZ 3.91Å; E68-R72 IonicContact OE1-NE 3.97Å; E68-R72 PolarHBondContact OE1-NE 3.19Å; E68-R72 IonicContact OE1-NH2 2.97Å; E68-R72 PolarHBondContact OE1-NH2 3.49Å; E68-R72 IonicContact OE2-NE 3.59Å; E68-R72 IonicContact OE2-NH2 3.61Å; E68-R72 PolarHBondContact OE2-NH2 3.11Å; V69-R72 PolarHBondContact O-N 3.27Å; R72-V75 PolarHBondContact O-N 3.42Å; R72-K76 HydrophobicContact CG-CB 4.05Å; R72-K76 HydrophobicContact CG-CD 4.28Å; R72-K76 HydrophobicContact CG-CG 4.01Å; R72-K76 PolarHBondContact O-N 2.92Å; R72-H77 PolarHBondContact NH1-CE1 3.23Å
73M93.3Very high92.6Very high2 Ų249.6 Ų49.61%0.0124%0.239CC..Hα-helixtrans-61.1-46.4-173-76.8-169.56300114.3L14 V16 V38 V69 V75 H77 L78 K79 P81L14-M73 HydrophobicContact CD2-CE 4.38Å; V16-M73 HydrophobicContact CB-SD 4.34Å; V16-M73 HydrophobicContact CG1-SD 3.87Å; V16-M73 HydrophobicContact CG2-CE 3.9Å; V16-M73 HydrophobicContact CG2-SD 3.79Å; V38-M73 HydrophobicContact CB-SD 4.35Å; V38-M73 HydrophobicContact CG1-CG 4.49Å; V38-M73 HydrophobicContact CG1-SD 4.37Å; V38-M73 HydrophobicContact CG2-CE 4.31Å; V38-M73 HydrophobicContact CG2-SD 3.96Å; V69-M73 HydrophobicContact CG1-CG 3.98Å; V69-M73 HydrophobicContact CG1-SD 3.69Å; V69-M73 WeakPolarHBondContact O-CB 3.35Å; V69-M73 VanDerWaalsContact O-CG 3.28Å; V69-M73 WeakPolarHBondContact O-CG 3.42Å; V69-M73 PolarHBondContact O-N 3.37Å; M73-V75 VanDerWaalsContact C-N 3.26Å; M73-V75 PolarHBondContact O-N 3.31Å; M73-H77 CarbonylContact O-C 3.35Å; M73-H77 WeakPolarHBondContact O-CA 3.3Å; M73-H77 WeakPolarHBondContact O-CB 3.37Å; M73-H77 PolarHBondContact O-N 3.36Å; M73-L78 PolarHBondContact O-N 3.13Å; M73-K79 CarbonylContact C-O 3.59Å; M73-K79 WeakPolarHBondContact CB-O 3.36Å; M73-P81 HydrophobicContact CB-CG 4.49Å; M73-P81 HydrophobicContact SD-CB 4.47Å; M73-P81 HydrophobicContact SD-CG 4.28Å
74P88.6Confident92.6Very high27 Ų2747.1 Ų47.118%0.17523%0.228CC..Hα-helixtrans-56.3-41.2176-25.833.7000112.3A70 L78 T80 V138A70-P74 WeakPolarHBondContact O-CD 3.48Å; P74-L78 WeakPolarHBondContact O-CA 3.42Å; P74-L78 PolarHBondContact O-N 2.57Å; P74-T80 HydrophobicContact CG-CG2 4.38Å; P74-V138 HydrophobicContact CG-CG2 4.33Å
75V86.5Confident92.6Very high113 Ų11344.7 Ų44.769%0.68522%0.217SC*.Hα-helixtrans-79.9-43.4-175.1-176.20000113R72 M73R72-V75 PolarHBondContact O-N 3.42Å; M73-V75 VanDerWaalsContact C-N 3.26Å; M73-V75 PolarHBondContact O-N 3.31Å
76K85.4Confident92.7Very high137 Ų13744 Ų4460%0.59621%0.214SC*.Hα-helixtrans-98.2-28.8-172-73.8-143.1176-167.90114.7W41 R72W41-K76 HydrophobicContact CH2-CD 4.27Å; W41-K76 HydrophobicContact CZ3-CD 4.35Å; R72-K76 HydrophobicContact CG-CB 4.05Å; R72-K76 HydrophobicContact CG-CD 4.28Å; R72-K76 HydrophobicContact CG-CG 4.01Å; R72-K76 PolarHBondContact O-N 2.92Å
77H83.1Confident92.7Very high91 Ų9144 Ų4442%0.42121%0.214SC..Hα-helixtrans-107.5-1.7179.9-55.2150.7000112.2R72 M73 K79R72-H77 PolarHBondContact NH1-CE1 3.23Å; M73-H77 CarbonylContact O-C 3.35Å; M73-H77 WeakPolarHBondContact O-CA 3.3Å; M73-H77 WeakPolarHBondContact O-CB 3.37Å; M73-H77 PolarHBondContact O-N 3.36Å; H77-K79 PolarHBondContact O-N 3.32Å
78L83.6Confident92.6Very high156 Ų15643.7 Ų43.782%0.81721%0.213SC*.SBendtrans52.338.7-179.1-56.2176.1000111.6M73 P74M73-L78 PolarHBondContact O-N 3.13Å; P74-L78 WeakPolarHBondContact O-CA 3.42Å; P74-L78 PolarHBondContact O-N 2.57Å
79K86.7Confident92.6Very high80 Ų8042.7 Ų42.735%0.34821%0.209SC..  trans-149.4114.7-174.3-167.2-176.8-171.9-165.30110L14 E36 M73 H77L14-K79 HydrophobicContact CD2-CD 3.56Å; L14-K79 HydrophobicContact CD2-CG 3.65Å; E36-K79 IonicContact OE1-NZ 3.43Å; E36-K79 PolarHBondContact OE1-NZ 2.96Å; E36-K79 IonicContact OE2-NZ 3.24Å; E36-K79 PolarHBondContact OE2-NZ 3.35Å; M73-K79 CarbonylContact C-O 3.59Å; M73-K79 WeakPolarHBondContact CB-O 3.36Å; H77-K79 PolarHBondContact O-N 3.32Å
80T89.4Confident92.6Very high33 Ų3342.7 Ų42.720%0.20221%0.209CC..  trans-81.9119.7176.5-53.40000109.3P74 C130 E132 V138P74-T80 HydrophobicContact CG-CG2 4.38Å; T80-C130 HydrophobicContact CG2-CB 4.45Å; T80-E132 PolarHBondContact OG1-OE1 2.86Å; T80-V138 HydrophobicContact CG2-CG1 4.09Å; T80-V138 HydrophobicContact CG2-CG2 3.87Å
81P93.8Very high92.7Very high1 Ų142.8 Ų42.81%0.00621%0.21CC..  trans-70.2152.517230.5-32.9000110.8L14 V16 M73 V84 C130L14-P81 HydrophobicContact CD2-CB 4.25Å; L14-P81 HydrophobicContact CG-CB 4.44Å; V16-P81 HydrophobicContact CB-CB 4.47Å; V16-P81 HydrophobicContact CG2-CB 3.72Å; M73-P81 HydrophobicContact CB-CG 4.49Å; M73-P81 HydrophobicContact SD-CB 4.47Å; M73-P81 HydrophobicContact SD-CG 4.28Å; P81-V84 HydrophobicContact CB-CG2 3.81Å; P81-V84 HydrophobicContact CG-CG2 3.49Å; P81-V84 VanDerWaalsContact CG-CG2 3.49Å; P81-C130 WeakPolarHBondContact O-CB 3.25Å
82D94.1Very high92.9Very high62 Ų6237 Ų3733%0.33219%0.19SC..SBendtrans-82.1-36.8168.3-70.9-88.7000110.6K13 L14 L129 C130K13-D82 WeakPolarHBondContact CA-OD2 3.4Å; K13-D82 HydrophobicContact CB-CB 3.85Å; K13-D82 HydrophobicContact CD-CB 4.2Å; K13-D82 HydrophobicContact CG-CB 4.25Å; L14-D82 PolarHBondContact N-OD2 3.39Å; L14-D82 PolarHBondContact O-N 3.07Å; D82-L129 WeakPolarHBondContact O-CA 3.27Å; D82-C130 PolarHBondContact O-N 3.36Å
83I95.4Very high93Very high3 Ų336 Ų362%0.01519%0.186CC..EExtended strand (participates in β ladder)trans-142.2130.7-175-49.2-175.8000109.6L10 K13 L14 V15 V16 I85 I127 V128 L129 Y213L10-I83 HydrophobicContact CD2-CD1 3.36Å; K13-I83 HydrophobicContact CD-CD1 4.19Å; L14-I83 PolarHBondContact O-N 2.65Å; V15-I83 CarbonylContact C-O 3.58Å; V15-I83 HydrophobicContact CG1-CB 4.43Å; V15-I83 HydrophobicContact CG2-CB 4.48Å; V15-I83 HydrophobicContact CG2-CD1 4.36Å; V16-I83 PolarHBondContact N-O 2.92Å; I83-I85 HydrophobicContact CG2-CG1 4.21Å; I83-I127 HydrophobicContact CG2-CG2 3.76Å; I83-V128 CarbonylContact C-O 3.54Å; I83-V128 VanDerWaalsContact CA-O 3.31Å; I83-V128 WeakPolarHBondContact CA-O 3.22Å; I83-L129 HydrophobicContact CB-CD2 4.46Å; I83-L129 HydrophobicContact CD1-CD2 4.06Å; I83-L129 HydrophobicContact CG1-CD2 3.75Å; I83-L129 HydrophobicContact CG2-CD2 4.27Å; I83-Y213 VanDerWaalsContact CD1-OH 3.31Å; I83-Y213 WeakPolarHBondContact CD1-OH 3.45Å
84V97.5Very high92.8Very high0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-118.3125.5170.3-172.30000110.2V16 A18 A66 V69 A70 P81 I127 V128V16-V84 HydrophobicContact CB-CG2 4.29Å; V16-V84 HydrophobicContact CG1-CG1 4.47Å; V16-V84 CarbonylContact O-C 3.56Å; V16-V84 WeakPolarHBondContact O-CA 3.32Å; A18-V84 HydrophobicContact CB-CG1 3.86Å; A66-V84 HydrophobicContact CB-CG1 4.29Å; A66-V84 WeakPolarHBondContact O-CG1 3.4Å; V69-V84 HydrophobicContact CB-CG1 4Å; V69-V84 HydrophobicContact CG1-CG1 3.9Å; A70-V84 HydrophobicContact CB-CB 4.3Å; A70-V84 HydrophobicContact CB-CG2 3.78Å; P81-V84 HydrophobicContact CB-CG2 3.81Å; P81-V84 HydrophobicContact CG-CG2 3.49Å; P81-V84 VanDerWaalsContact CG-CG2 3.49Å; V84-I127 WeakPolarHBondContact O-CA 3.43Å; V84-V128 HydrophobicContact CB-CB 4.28Å; V84-V128 PolarHBondContact N-O 3.41Å; V84-V128 PolarHBondContact O-N 2.75Å
85I98Very high92.6Very high3 Ų343.4 Ų43.42%0.01524%0.241CC..EExtended strand (participates in β ladder)trans-107.1115.7-179.8-56.5164.3000108.5V15 V16 L17 A18 L33 I83 V125 A126 F200 F205V15-I85 HydrophobicContact CG1-CD1 3.77Å; V16-I85 PolarHBondContact O-N 2.93Å; L17-I85 HydrophobicContact CD1-CB 4Å; L17-I85 HydrophobicContact CD1-CG2 3.93Å; A18-I85 WeakPolarHBondContact CB-O 3.31Å; A18-I85 PolarHBondContact N-O 2.83Å; L33-I85 HydrophobicContact CD2-CD1 3.82Å; I83-I85 HydrophobicContact CG2-CG1 4.21Å; I85-V125 HydrophobicContact CG2-CG1 4.5Å; I85-A126 CarbonylContact C-O 3.57Å; I85-A126 WeakPolarHBondContact CA-O 3.47Å; I85-F200 HydrophobicContact CG2-CE2 4.1Å; I85-F200 HydrophobicContact CG2-CZ 4.14Å; I85-F205 HydrophobicContact CD1-CE2 4.05Å; I85-F205 HydrophobicContact CD1-CZ 3.62Å; I85-F205 HydrophobicContact CG1-CE2 4.26Å; I85-F205 HydrophobicContact CG1-CZ 4.31Å; I85-F205 HydrophobicContact CG2-CE2 4.22Å
86G97.8Very high92.8Very high0 Ų042.7 Ų42.70%023%0.231CC..EExtended strand (participates in β ladder)trans-106.7150170.100000111.2V125 A126G86-V125 WeakPolarHBondContact O-CA 3.34Å; G86-A126 PolarHBondContact N-O 2.62Å; G86-A126 PolarHBondContact O-N 2.67Å
87A97.7Very high93.3Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-150.5148.8172.700000111.5R24 T123 G124 V125 F200R24-A87 VanDerWaalsContact CZ-O 3.27Å; R24-A87 PolarHBondContact NH1-O 3.09Å; A87-T123 HydrophobicContact CB-CG2 4.37Å; A87-G124 CarbonylContact C-O 3.57Å; A87-G124 WeakPolarHBondContact CA-O 3.37Å; A87-V125 HydrophobicContact CB-CG2 4.29Å; A87-F200 HydrophobicContact CB-CD2 3.86Å; A87-F200 HydrophobicContact CB-CE2 3.92Å
88D96.6Very high93.9Very high7 Ų734.3 Ų34.34%0.03720%0.196CC..EExtended strand (participates in β ladder)trans-140137.9175.6-163.565.6000110.9A58 T61 A62 K65 T123 G124A58-D88 WeakPolarHBondContact O-CB 3.5Å; T61-D88 HydrophobicContact CG2-CB 3.96Å; A62-D88 HydrophobicContact CB-CB 4.12Å; K65-D88 IonicContact NZ-OD1 3.75Å; K65-D88 PolarHBondContact NZ-OD1 2.85Å; D88-T123 CarbonylContact O-C 3.5Å; D88-T123 WeakPolarHBondContact O-CA 3.27Å; D88-T123 WeakPolarHBondContact O-CG2 3.35Å; D88-G124 PolarHBondContact N-O 3.28Å; D88-G124 PolarHBondContact O-N 2.77Å
89T96.6Very high94.4Very high22 Ų2229.1 Ų29.114%0.13517%0.167CC..EExtended strand (participates in β ladder)trans-128.1128.2-173.5-570000108.4R24 V121 F122 T123 A174 G199R24-T89 VanDerWaalsContact NH2-N 3.15Å; R24-T89 PolarHBondContact NH2-OG1 2.84Å; T89-V121 HydrophobicContact CG2-CG1 3.82Å; T89-F122 CarbonylContact C-O 3.52Å; T89-F122 VanDerWaalsContact CA-O 3.29Å; T89-F122 WeakPolarHBondContact CA-O 3.42Å; T89-T123 WeakPolarHBondContact CG2-OG1 3.15Å; T89-T123 WeakPolarHBondContact OG1-CG2 3.47Å; T89-T123 PolarHBondContact OG1-OG1 3.3Å; T89-A174 HydrophobicContact CG2-CB 4.31Å; T89-A174 VanDerWaalsContact O-CB 3.22Å; T89-A174 WeakPolarHBondContact O-CB 3.39Å; T89-G199 PolarHBondContact OG1-O 2.97Å
90I96.6Very high94.8Very high0 Ų030.2 Ų30.20%017%0.172CC..EExtended strand (participates in β ladder)trans-129.5155.317863.6171.7000110.2P54 Y57 A58 T92 I97 E99 F122P54-I90 HydrophobicContact CB-CD1 3.85Å; P54-I90 VanDerWaalsContact O-CD1 3.27Å; P54-I90 WeakPolarHBondContact O-CD1 3.38Å; Y57-I90 HydrophobicContact CD1-CD1 4.28Å; Y57-I90 HydrophobicContact CD1-CG2 4.2Å; Y57-I90 HydrophobicContact CE1-CG2 4.2Å; A58-I90 HydrophobicContact CB-CD1 4.1Å; A58-I90 HydrophobicContact CB-CG1 4.13Å; I90-T92 HydrophobicContact CD1-CG2 4.2Å; I90-I97 HydrophobicContact CB-CG2 4.07Å; I90-I97 HydrophobicContact CD1-CD1 4.31Å; I90-I97 HydrophobicContact CD1-CG1 4.29Å; I90-I97 HydrophobicContact CD1-CG2 3.97Å; I90-I97 HydrophobicContact CG2-CG2 4.12Å; I90-E99 HydrophobicContact CG2-CG 4.4Å; I90-F122 HydrophobicContact CD1-CB 4.39Å; I90-F122 HydrophobicContact CG1-CB 3.87Å; I90-F122 PolarHBondContact N-O 3.3Å; I90-F122 PolarHBondContact O-N 3.03Å
91V97.9Very high95.1Very high2 Ų229.1 Ų29.11%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-110.8143.6170.9175.60000108.6L98 L114 S120 V121 A174 Y177V91-L98 HydrophobicContact CB-CB 4.25Å; V91-L98 HydrophobicContact CG1-CD1 4.47Å; V91-L98 PolarHBondContact N-O 2.79Å; V91-L98 WeakPolarHBondContact O-CA 3.48Å; V91-L98 PolarHBondContact O-N 3.21Å; V91-L114 HydrophobicContact CG1-CD1 4.35Å; V91-L114 HydrophobicContact CG1-CD2 4.11Å; V91-S120 CarbonylContact C-O 3.57Å; V91-S120 WeakPolarHBondContact CA-O 3.13Å; V91-V121 HydrophobicContact CG2-CG1 4.37Å; V91-V121 HydrophobicContact CG2-CG2 4.16Å; V91-A174 HydrophobicContact CG2-CB 4.11Å; V91-A174 WeakPolarHBondContact CG2-O 3.33Å; V91-Y177 HydrophobicContact CG1-CE1 4.45Å; V91-Y177 HydrophobicContact CG2-CE1 4.06Å
92T97.3Very high95.1Very high14 Ų1435 Ų359%0.08620%0.201CC..EExtended strand (participates in β ladder)trans-134132.8177.967.80000112.5P54 I90 M96 I97 H119 S120 F122P54-T92 HydrophobicContact CB-CG2 3.54Å; P54-T92 HydrophobicContact CG-CG2 3.83Å; I90-T92 HydrophobicContact CD1-CG2 4.2Å; T92-M96 WeakPolarHBondContact CA-O 3.44Å; T92-I97 HydrophobicContact CG2-CG1 4.13Å; T92-H119 VanDerWaalsContact O-CB 3.27Å; T92-H119 WeakPolarHBondContact O-CB 3.44Å; T92-S120 PolarHBondContact N-O 3.04Å; T92-S120 PolarHBondContact O-N 3.19Å; T92-S120 PolarHBondContact OG1-O 3.4Å; T92-F122 HydrophobicContact CG2-CD2 3.91Å; T92-F122 HydrophobicContact CG2-CE2 4.05Å; T92-F122 WeakPolarHBondContact OG1-CE2 3.32Å
93V96.4Very high95.2Very high3 Ų335.8 Ų35.82%0.01821%0.205CC..EExtended strand (participates in β ladder)trans-136.5133.7173.765.10000108.4G95 M96 L98 L114 K117 H119V93-G95 PolarHBondContact O-N 3.05Å; V93-G95 VanDerWaalsContact O-N 3.07Å; V93-M96 HydrophobicContact CG1-CE 4.36Å; V93-M96 PolarHBondContact N-O 3Å; V93-M96 WeakPolarHBondContact O-CB 3.22Å; V93-M96 PolarHBondContact O-N 3.45Å; V93-L98 HydrophobicContact CG1-CD1 4.09Å; V93-L114 HydrophobicContact CB-CD2 3.68Å; V93-L114 HydrophobicContact CG1-CD2 3.67Å; V93-L114 HydrophobicContact CG2-CD2 4.21Å; V93-K117 HydrophobicContact CG2-CB 4.4Å; V93-K117 HydrophobicContact CG2-CD 3.94Å; V93-H119 HydrophobicContact CB-CB 3.98Å; V93-H119 HydrophobicContact CG2-CB 4.26Å
94D90.4Very high95.3Very high115 Ų11540.1 Ų40.162%0.61522%0.224SC*.THydrogen-bonded Turntrans50.536179.9-56.9-34000114M96 K117D94-M96 VanDerWaalsContact C-N 3.27Å; D94-M96 PolarHBondContact O-N 3.39Å; D94-K117 IonicContact OD2-NZ 3.86Å; D94-K117 PolarHBondContact OD2-NZ 2.92Å
95G84.4Confident95.3Very high70 Ų7045.5 Ų45.572%0.72225%0.249SC*.THydrogen-bonded Turntrans78.3-1-178.700000115.6V93V93-G95 PolarHBondContact O-N 3.05Å; V93-G95 VanDerWaalsContact O-N 3.07Å
96M91.3Very high95.2Very high98 Ų9846.2 Ų46.248%0.48325%0.253SS..EExtended strand (participates in β ladder)trans-88.3132.7176.1-62.6-174.5-71.100111.3T92 V93 D94T92-M96 WeakPolarHBondContact CA-O 3.44Å; V93-M96 HydrophobicContact CG1-CE 4.36Å; V93-M96 PolarHBondContact N-O 3Å; V93-M96 WeakPolarHBondContact O-CB 3.22Å; V93-M96 PolarHBondContact O-N 3.45Å; D94-M96 VanDerWaalsContact C-N 3.27Å; D94-M96 PolarHBondContact O-N 3.39Å
97I95.3Very high95.2Very high37 Ų3746.2 Ų46.219%0.1925%0.253CS..EExtended strand (participates in β ladder)trans-87.6122.8173.7-63.2174.5000109.6K48 P54 Y57 I90 T92 E99K48-I97 HydrophobicContact CB-CD1 4.44Å; K48-I97 HydrophobicContact CD-CB 4.2Å; K48-I97 HydrophobicContact CD-CD1 4.44Å; K48-I97 HydrophobicContact CD-CG2 4.3Å; K48-I97 HydrophobicContact CG-CD1 4.38Å; P54-I97 HydrophobicContact CB-CD1 4.16Å; P54-I97 HydrophobicContact CB-CG1 4.11Å; P54-I97 HydrophobicContact CG-CG1 4.41Å; Y57-I97 HydrophobicContact CD1-CD1 4.38Å; Y57-I97 HydrophobicContact CG-CD1 4.26Å; I90-I97 HydrophobicContact CB-CG2 4.07Å; I90-I97 HydrophobicContact CD1-CD1 4.31Å; I90-I97 HydrophobicContact CD1-CG1 4.29Å; I90-I97 HydrophobicContact CD1-CG2 3.97Å; I90-I97 HydrophobicContact CG2-CG2 4.12Å; T92-I97 HydrophobicContact CG2-CG1 4.13Å; I97-E99 HydrophobicContact CG2-CG 4.39Å
98L95.4Very high95.2Very high14 Ų1448 Ų487%0.07326%0.26CS..EExtended strand (participates in β ladder)trans-109.2115.9175.5-50.6-176.7000109.6V91 V93 M110 L114V91-L98 HydrophobicContact CB-CB 4.25Å; V91-L98 HydrophobicContact CG1-CD1 4.47Å; V91-L98 PolarHBondContact N-O 2.79Å; V91-L98 WeakPolarHBondContact O-CA 3.48Å; V91-L98 PolarHBondContact O-N 3.21Å; V93-L98 HydrophobicContact CG1-CD1 4.09Å; L98-M110 HydrophobicContact CB-SD 4.45Å; L98-M110 HydrophobicContact CD1-CB 4.28Å; L98-M110 HydrophobicContact CD1-CG 4.36Å; L98-M110 HydrophobicContact CD2-CG 4.26Å; L98-L114 HydrophobicContact CD1-CD1 4.26Å; L98-L114 HydrophobicContact CD1-CD2 3.94Å; L98-L114 HydrophobicContact CD1-CG 4.18Å
99E93.6Very high95.3Very high48 Ų4855.4 Ų55.422%0.22429%0.287CS..  trans-92.9-145.3173.4-68171.8159.600109.7K48 Y57 I90 I97 A174 G175K48-E99 VanDerWaalsContact CE-OE1 3.23Å; K48-E99 WeakPolarHBondContact CE-OE1 3.26Å; K48-E99 IonicContact NZ-OE1 3.71Å; K48-E99 PolarHBondContact NZ-OE1 3.48Å; K48-E99 IonicContact NZ-OE2 2.94Å; K48-E99 PolarHBondContact NZ-OE2 2.99Å; Y57-E99 WeakPolarHBondContact CE1-OE1 3.44Å; Y57-E99 PolarHBondContact OH-OE1 3.43Å; I90-E99 HydrophobicContact CG2-CG 4.4Å; I97-E99 HydrophobicContact CG2-CG 4.39Å; E99-A174 CarbonylContact O-C 3.55Å; E99-A174 WeakPolarHBondContact O-CA 3.45Å; E99-G175 PolarHBondContact O-N 2.95Å
100K94.6Very high95.3Very high103 Ų10354.7 Ų54.745%0.44828%0.283SS..  trans-79.7139.2172.6-61.4168.7-171.2153.10109.4K173K100-K173 WeakPolarHBondContact CA-O 3.44Å
101P95.8Very high95.4Very high9 Ų954.7 Ų54.76%0.05828%0.283CS..  trans-65.4139.4175.629-34.9000110.2D106 A107 M110 M171 K173P101-D106 WeakPolarHBondContact CA-OD2 3.4Å; P101-D106 HydrophobicContact CB-CB 4.28Å; P101-A107 HydrophobicContact CB-CB 3.72Å; P101-A107 HydrophobicContact CG-CB 3.94Å; P101-M110 HydrophobicContact CB-CE 4.32Å; P101-M110 HydrophobicContact CB-SD 3.97Å; P101-M171 HydrophobicContact CB-CE 4.43Å; P101-M171 HydrophobicContact CG-CE 3.93Å; P101-K173 WeakPolarHBondContact CD-O 3.22Å
102V94.9Very high95.3Very high125 Ų12556.8 Ų56.876%0.75830%0.297SS*.SBendtrans-79.6-25.8177.8-61.40000112.6D106V102-D106 HydrophobicContact CG2-CB 4.02Å; V102-D106 PolarHBondContact N-OD2 3.39Å; V102-D106 VanDerWaalsContact N-OD2 3.11Å
103D96.2Very high95.3Very high79 Ų7957.4 Ų57.442%0.42230%0.302SS..SBendtrans-154.6178.9176.763.844.5000111.6Q105 D106 A107D103-Q105 VanDerWaalsContact C-N 3.3Å; D103-Q105 PolarHBondContact O-N 3.19Å; D103-Q105 WeakPolarHBondContact OD1-CA 3.32Å; D103-Q105 WeakPolarHBondContact OD1-CB 3.41Å; D103-Q105 PolarHBondContact OD1-N 2.91Å; D103-D106 PolarHBondContact O-N 3.5Å; D103-D106 PolarHBondContact OD1-N 3.32Å; D103-A107 PolarHBondContact O-N 3.44Å
104K96.8Very high95.4Very high94 Ų9457.3 Ų57.341%0.40930%0.302SS..Hα-helixtrans-62.4-33.9179.9-71.9-169.9170.4-170.60113.5A107 Y108 W162 I165 N166 M171K104-A107 PolarHBondContact O-N 3Å; K104-Y108 PolarHBondContact O-N 3.43Å; K104-W162 HydrophobicContact CB-CZ3 4.29Å; K104-I165 HydrophobicContact CB-CG2 3.69Å; K104-I165 HydrophobicContact CD-CG2 3.96Å; K104-I165 HydrophobicContact CG-CG2 3.64Å; K104-N166 PolarHBondContact NZ-OD1 3.05Å; K104-M171 HydrophobicContact CG-CE 4.44Å; K104-M171 HydrophobicContact CG-SD 4.45Å
105Q97.4Very high95.7Very high112 Ų11253.1 Ų53.152%0.52328%0.281SS..Hα-helixtrans-73.5-37.1-178.8-170.658.747.200110.7D103 Y108 R109D103-Q105 VanDerWaalsContact C-N 3.3Å; D103-Q105 PolarHBondContact O-N 3.19Å; D103-Q105 WeakPolarHBondContact OD1-CA 3.32Å; D103-Q105 WeakPolarHBondContact OD1-CB 3.41Å; D103-Q105 PolarHBondContact OD1-N 2.91Å; Q105-Y108 PolarHBondContact O-N 3.3Å; Q105-R109 PolarHBondContact O-N 2.93Å
106D97.3Very high96.3Very high18 Ų1850.6 Ų50.610%0.09626%0.256CS..Hα-helixtrans-64.2-42.6172.4-167.727.7000111.4P101 V102 D103 Y108 R109 M110P101-D106 WeakPolarHBondContact CA-OD2 3.4Å; P101-D106 HydrophobicContact CB-CB 4.28Å; V102-D106 HydrophobicContact CG2-CB 4.02Å; V102-D106 PolarHBondContact N-OD2 3.39Å; V102-D106 VanDerWaalsContact N-OD2 3.11Å; D103-D106 PolarHBondContact O-N 3.5Å; D103-D106 PolarHBondContact OD1-N 3.32Å; D106-Y108 VanDerWaalsContact C-N 3.33Å; D106-Y108 PolarHBondContact O-N 3.42Å; D106-R109 WeakPolarHBondContact O-CB 3.32Å; D106-R109 PolarHBondContact O-N 3.24Å; D106-R109 IonicContact OD1-CZ 2.69Å; D106-R109 VanDerWaalsContact OD1-CZ 3.23Å; D106-R109 IonicContact OD1-NE 3.32Å; D106-R109 PolarHBondContact OD1-NE 3.25Å; D106-R109 IonicContact OD1-NH2 3.88Å; D106-R109 PolarHBondContact OD1-NH2 3.37Å; D106-M110 WeakPolarHBondContact O-CG 3.06Å; D106-M110 PolarHBondContact O-N 3.08Å; D106-M110 WeakPolarHBondContact OD2-CE 3.08Å
107A97.3Very high96.6Very high0 Ų049.9 Ų49.90%025%0.25CC..Hα-helixtrans-59.9-42.3173.100000112.4P101 D103 K104 R109 M110 L111 I165 P170 M171P101-A107 HydrophobicContact CB-CB 3.72Å; P101-A107 HydrophobicContact CG-CB 3.94Å; D103-A107 PolarHBondContact O-N 3.44Å; K104-A107 PolarHBondContact O-N 3Å; A107-R109 PolarHBondContact O-N 2.85Å; A107-M110 PolarHBondContact O-N 2.99Å; A107-L111 WeakPolarHBondContact O-CB 3.49Å; A107-L111 VanDerWaalsContact O-CG 3.25Å; A107-L111 WeakPolarHBondContact O-CG 3.24Å; A107-L111 PolarHBondContact O-N 3.48Å; A107-I165 HydrophobicContact CB-CD1 4.34Å; A107-I165 HydrophobicContact CB-CG1 4.12Å; A107-P170 HydrophobicContact CB-CB 4.24Å; A107-M171 HydrophobicContact CB-CE 3.4Å; A107-M171 VanDerWaalsContact CB-CE 3.4Å
108Y97.8Very high96.7Very high38 Ų3851.8 Ų51.815%0.14926%0.258CS..Hα-helixtrans-60.1-45.1174.5-179.9-95.5000111.8K104 Q105 D106 S112 Q158 L161 W162 I165K104-Y108 PolarHBondContact O-N 3.43Å; Q105-Y108 PolarHBondContact O-N 3.3Å; D106-Y108 VanDerWaalsContact C-N 3.33Å; D106-Y108 PolarHBondContact O-N 3.42Å; Y108-S112 WeakPolarHBondContact CE1-OG 3.49Å; Y108-S112 WeakPolarHBondContact O-CB 3.42Å; Y108-S112 PolarHBondContact O-N 3.35Å; Y108-S112 PolarHBondContact O-OG 3.12Å; Y108-Q158 VanDerWaalsContact OH-CD 3.22Å; Y108-Q158 WeakPolarHBondContact OH-CG 3.22Å; Y108-Q158 PolarHBondContact OH-NE2 3.21Å; Y108-L161 HydrophobicContact CD2-CB 4.15Å; Y108-L161 HydrophobicContact CD2-CD1 4.35Å; Y108-L161 HydrophobicContact CE2-CB 4.18Å; Y108-L161 HydrophobicContact CE2-CD1 4.02Å; Y108-W162 HydrophobicContact CD2-CD2 4.26Å; Y108-W162 AromaticContact CD2-CE2 3.66Å; Y108-W162 AromaticContact CD2-CZ2 3.97Å; Y108-W162 HydrophobicContact CD2-CZ2 3.97Å; Y108-W162 AromaticContact CD2-NE1 3.53Å; Y108-W162 AromaticContact CE2-CD1 3.93Å; Y108-W162 AromaticContact CE2-NE1 3.46Å; Y108-W162 AromaticContact CG-CZ2 3.95Å; Y108-W162 HydrophobicContact CG-CZ2 3.95Å; Y108-I165 HydrophobicContact CD2-CD1 4.16Å; Y108-I165 HydrophobicContact CG-CD1 4.44Å
109R97.5Very high96.9Very high162 Ų16251.3 Ų51.361%0.61126%0.255SS*.Hα-helixtrans-59.3-47.5176178.7-175.568.9134.2-0.8111.6Q105 D106 A107 S113Q105-R109 PolarHBondContact O-N 2.93Å; D106-R109 WeakPolarHBondContact O-CB 3.32Å; D106-R109 PolarHBondContact O-N 3.24Å; D106-R109 IonicContact OD1-CZ 2.69Å; D106-R109 VanDerWaalsContact OD1-CZ 3.23Å; D106-R109 IonicContact OD1-NE 3.32Å; D106-R109 PolarHBondContact OD1-NE 3.25Å; D106-R109 IonicContact OD1-NH2 3.88Å; D106-R109 PolarHBondContact OD1-NH2 3.37Å; A107-R109 PolarHBondContact O-N 2.85Å; R109-S113 WeakPolarHBondContact O-CB 3.1Å; R109-S113 PolarHBondContact O-N 3.45Å; R109-S113 VanDerWaalsContact O-N 3.14Å
110M97.4Very high97.1Very high8 Ų849.8 Ų49.84%0.03925%0.25CS..Hα-helixtrans-60-56.9177.7-70.2-178.5-178.200110.8L98 P101 D106 A107 S112 S113 L114L98-M110 HydrophobicContact CB-SD 4.45Å; L98-M110 HydrophobicContact CD1-CB 4.28Å; L98-M110 HydrophobicContact CD1-CG 4.36Å; L98-M110 HydrophobicContact CD2-CG 4.26Å; P101-M110 HydrophobicContact CB-CE 4.32Å; P101-M110 HydrophobicContact CB-SD 3.97Å; D106-M110 WeakPolarHBondContact O-CG 3.06Å; D106-M110 PolarHBondContact O-N 3.08Å; D106-M110 WeakPolarHBondContact OD2-CE 3.08Å; A107-M110 PolarHBondContact O-N 2.99Å; M110-S112 VanDerWaalsContact C-N 3.34Å; M110-S112 PolarHBondContact O-N 3.35Å; M110-S113 WeakPolarHBondContact O-CB 3.1Å; M110-S113 PolarHBondContact O-N 3.45Å; M110-S113 PolarHBondContact O-OG 2.86Å; M110-L114 WeakPolarHBondContact O-CG 3.43Å; M110-L114 PolarHBondContact O-N 3.13Å
111L97.6Very high97.3Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-64.3-37.9-175.6-66167.3000112.6A107 S113 L114 S115 F153 L161 Y164 I165 P170 L186A107-L111 WeakPolarHBondContact O-CB 3.49Å; A107-L111 VanDerWaalsContact O-CG 3.25Å; A107-L111 WeakPolarHBondContact O-CG 3.24Å; A107-L111 PolarHBondContact O-N 3.48Å; L111-S113 VanDerWaalsContact C-N 3.26Å; L111-S113 PolarHBondContact O-N 3.15Å; L111-L114 PolarHBondContact O-N 3.48Å; L111-L114 VanDerWaalsContact O-N 3.16Å; L111-S115 PolarHBondContact O-N 3.07Å; L111-F153 HydrophobicContact CD2-CE2 4.1Å; L111-L161 HydrophobicContact CB-CD2 3.66Å; L111-L161 HydrophobicContact CD1-CD2 4.39Å; L111-Y164 HydrophobicContact CD1-CD1 3.71Å; L111-Y164 HydrophobicContact CD1-CE1 3.96Å; L111-Y164 HydrophobicContact CD2-CD1 4.49Å; L111-Y164 HydrophobicContact CD2-CE1 4.16Å; L111-I165 HydrophobicContact CD1-CD1 4.1Å; L111-I165 HydrophobicContact CD1-CG1 3.78Å; L111-P170 HydrophobicContact CD1-CG 4.48Å; L111-L186 HydrophobicContact CD2-CD1 4.08Å
112S97.1Very high97.4Very high45 Ų4545.1 Ų45.132%0.31523%0.229SC..Hα-helixtrans-61.9-35.5173.7-60.10000112Y108 M110 L114 L161Y108-S112 WeakPolarHBondContact CE1-OG 3.49Å; Y108-S112 WeakPolarHBondContact O-CB 3.42Å; Y108-S112 PolarHBondContact O-N 3.35Å; Y108-S112 PolarHBondContact O-OG 3.12Å; M110-S112 VanDerWaalsContact C-N 3.34Å; M110-S112 PolarHBondContact O-N 3.35Å; S112-L114 VanDerWaalsContact C-N 3.29Å; S112-L114 PolarHBondContact O-N 3.47Å; S112-L161 WeakPolarHBondContact OG-CD1 3.36Å
113S96.8Very high97.5Very high28 Ų2839.2 Ų39.220%0.19619%0.193CC..Hα-helixtrans-71.8-23.3177.576.50000113.6R109 M110 L111 K117R109-S113 WeakPolarHBondContact O-CB 3.1Å; R109-S113 PolarHBondContact O-N 3.45Å; R109-S113 VanDerWaalsContact O-N 3.14Å; M110-S113 WeakPolarHBondContact O-CB 3.1Å; M110-S113 PolarHBondContact O-N 3.45Å; M110-S113 PolarHBondContact O-OG 2.86Å; L111-S113 VanDerWaalsContact C-N 3.26Å; L111-S113 PolarHBondContact O-N 3.15Å; S113-K117 WeakPolarHBondContact O-CD 3.13Å
114L97.8Very high97.6Very high0 Ų035.4 Ų35.40%017%0.173CC..Hα-helixtrans-90.2-26.4178.6-59.9174.2000112.8V91 V93 L98 M110 L111 S112 G116 K117 H119 F153 Y177V91-L114 HydrophobicContact CG1-CD1 4.35Å; V91-L114 HydrophobicContact CG1-CD2 4.11Å; V93-L114 HydrophobicContact CB-CD2 3.68Å; V93-L114 HydrophobicContact CG1-CD2 3.67Å; V93-L114 HydrophobicContact CG2-CD2 4.21Å; L98-L114 HydrophobicContact CD1-CD1 4.26Å; L98-L114 HydrophobicContact CD1-CD2 3.94Å; L98-L114 HydrophobicContact CD1-CG 4.18Å; M110-L114 WeakPolarHBondContact O-CG 3.43Å; M110-L114 PolarHBondContact O-N 3.13Å; L111-L114 PolarHBondContact O-N 3.48Å; L111-L114 VanDerWaalsContact O-N 3.16Å; S112-L114 VanDerWaalsContact C-N 3.29Å; S112-L114 PolarHBondContact O-N 3.47Å; L114-G116 PolarHBondContact O-N 3.38Å; L114-K117 PolarHBondContact O-N 3.23Å; L114-H119 HydrophobicContact CD2-CB 3.83Å; L114-F153 HydrophobicContact CB-CD2 3.65Å; L114-F153 HydrophobicContact CB-CE2 3.81Å; L114-F153 HydrophobicContact CB-CG 4.43Å; L114-F153 HydrophobicContact CD1-CE2 4.08Å; L114-F153 HydrophobicContact CD1-CZ 4.41Å; L114-F153 WeakPolarHBondContact O-CB 3.38Å; L114-Y177 HydrophobicContact CD1-CD1 4.23Å; L114-Y177 HydrophobicContact CD1-CE1 4.26Å
115S97.4Very high97.7Very high27 Ų2731 Ų3119%0.18915%0.153CC..THydrogen-bonded Turntrans-48.9128-179.9179.10000112.3L111 K117 L156L111-S115 PolarHBondContact O-N 3.07Å; S115-K117 PolarHBondContact O-N 2.88Å; S115-K117 VanDerWaalsContact O-N 3.17Å; S115-L156 PolarHBondContact OG-N 3.34Å
116G96.8Very high97.7Very high18 Ų1825.6 Ų25.619%0.18613%0.129CC..THydrogen-bonded Turntrans67.75.1179.600000114.9L114 K152 F153 A154 D155L114-G116 PolarHBondContact O-N 3.38Å; G116-K152 PolarHBondContact O-NZ 3.35Å; G116-F153 WeakPolarHBondContact CA-O 3.45Å; G116-A154 PolarHBondContact N-O 3.29Å; G116-D155 WeakPolarHBondContact CA-OD1 3.27Å
117K97.8Very high97.7Very high83 Ų8324.8 Ų24.836%0.36112%0.124SC..  trans-112.4154.5-177.1-63.8-171-172.2173.40112.5V93 D94 S113 L114 S115 F153V93-K117 HydrophobicContact CG2-CB 4.4Å; V93-K117 HydrophobicContact CG2-CD 3.94Å; D94-K117 IonicContact OD2-NZ 3.86Å; D94-K117 PolarHBondContact OD2-NZ 2.92Å; S113-K117 WeakPolarHBondContact O-CD 3.13Å; L114-K117 PolarHBondContact O-N 3.23Å; S115-K117 PolarHBondContact O-N 2.88Å; S115-K117 VanDerWaalsContact O-N 3.17Å; K117-F153 PolarHBondContact O-N 2.89Å
118E98.1Very high97.7Very high76 Ų7624.8 Ų24.836%0.35512%0.124SC..EExtended strand (participates in β ladder)trans-86136.2162.3-178.3175.3100.100108.4K150 V151 K152 Y189E118-K150 HydrophobicContact CG-CB 4.22Å; E118-K150 WeakPolarHBondContact OE1-CD 3.39Å; E118-K150 IonicContact OE1-NZ 2.64Å; E118-K150 PolarHBondContact OE1-NZ 2.65Å; E118-V151 CarbonylContact C-O 3.42Å; E118-V151 WeakPolarHBondContact CA-O 3.12Å; E118-K152 HydrophobicContact CB-CD 4.36Å; E118-Y189 WeakPolarHBondContact OE2-CE2 3.38Å; E118-Y189 PolarHBondContact OE2-OH 2.86Å
119H98.3Very high97.5Very high4 Ų423.7 Ų23.72%0.01912%0.121CC..EExtended strand (participates in β ladder)trans-138.8161.1177.655.9-96.7000110.5T92 V93 L114 K150 V151 F153 Y177T92-H119 VanDerWaalsContact O-CB 3.27Å; T92-H119 WeakPolarHBondContact O-CB 3.44Å; V93-H119 HydrophobicContact CB-CB 3.98Å; V93-H119 HydrophobicContact CG2-CB 4.26Å; L114-H119 HydrophobicContact CD2-CB 3.83Å; H119-K150 CarbonylContact O-C 3.47Å; H119-K150 WeakPolarHBondContact O-CA 3.47Å; H119-V151 PolarHBondContact N-O 3.24Å; H119-V151 PolarHBondContact ND1-O 3Å; H119-V151 PolarHBondContact O-N 3.27Å; H119-F153 AromaticContact CE1-CD1 3.49Å; H119-F153 VanDerWaalsContact CE1-CD1 3.49Å; H119-F153 WeakPolarHBondContact CE1-CD1 3.15Å; H119-F153 AromaticContact CE1-CE1 3.56Å; H119-F153 AromaticContact CE1-CG 3.88Å; H119-F153 AromaticContact NE2-CE1 3.99Å; H119-Y177 AromaticContact NE2-CE1 3.5Å; H119-Y177 AromaticContact NE2-CZ 3.45Å; H119-Y177 PolarHBondContact NE2-OH 3.49Å
120S98.3Very high97.3Very high17 Ų1716.2 Ų16.212%0.1199%0.093CC..EExtended strand (participates in β ladder)trans-103.2138.1-179.4-64.20000110.9V91 T92 E148V91-S120 CarbonylContact C-O 3.57Å; V91-S120 WeakPolarHBondContact CA-O 3.13Å; T92-S120 PolarHBondContact N-O 3.04Å; T92-S120 PolarHBondContact O-N 3.19Å; T92-S120 PolarHBondContact OG1-O 3.4Å; S120-E148 VanDerWaalsContact CB-OE1 3.25Å; S120-E148 WeakPolarHBondContact CB-OE1 3.45Å; S120-E148 PolarHBondContact OG-OE1 3.15Å
121V98.3Very high96.8Very high2 Ų220.1 Ų20.11%0.01211%0.111CC..EExtended strand (participates in β ladder)trans-107.5119.5169-170.90000107.9T89 V91 E148 T149 V151 Y177 N196 V197T89-V121 HydrophobicContact CG2-CG1 3.82Å; V91-V121 HydrophobicContact CG2-CG1 4.37Å; V91-V121 HydrophobicContact CG2-CG2 4.16Å; V121-E148 CarbonylContact O-C 3.52Å; V121-E148 WeakPolarHBondContact O-CA 3.48Å; V121-T149 PolarHBondContact N-O 3.42Å; V121-T149 PolarHBondContact O-N 3.27Å; V121-V151 HydrophobicContact CG2-CG2 3.89Å; V121-Y177 WeakPolarHBondContact CG2-OH 3.37Å; V121-N196 PolarHBondContact O-ND2 3.05Å; V121-V197 HydrophobicContact CB-CG2 4.44Å; V121-V197 HydrophobicContact CG2-CG1 4.29Å; V121-V197 HydrophobicContact CG2-CG2 4.35Å
122F98.1Very high95.9Very high12 Ų1226 Ų265%0.05314%0.138CC..EExtended strand (participates in β ladder)trans-107.9130.2176.8-66.4-82.8000109.5P54 H55 T89 I90 T92 Y146 E147 E148P54-F122 HydrophobicContact CB-CD2 4.17Å; P54-F122 HydrophobicContact CB-CE2 4.18Å; H55-F122 HydrophobicContact CB-CD1 3.72Å; H55-F122 HydrophobicContact CB-CE1 4.05Å; H55-F122 HydrophobicContact CB-CG 4.36Å; T89-F122 CarbonylContact C-O 3.52Å; T89-F122 VanDerWaalsContact CA-O 3.29Å; T89-F122 WeakPolarHBondContact CA-O 3.42Å; I90-F122 HydrophobicContact CD1-CB 4.39Å; I90-F122 HydrophobicContact CG1-CB 3.87Å; I90-F122 PolarHBondContact N-O 3.3Å; I90-F122 PolarHBondContact O-N 3.03Å; T92-F122 HydrophobicContact CG2-CD2 3.91Å; T92-F122 HydrophobicContact CG2-CE2 4.05Å; T92-F122 WeakPolarHBondContact OG1-CE2 3.32Å; F122-Y146 HydrophobicContact CD1-CD2 4.1Å; F122-Y146 HydrophobicContact CD1-CE2 4.4Å; F122-Y146 HydrophobicContact CE1-CE2 4.34Å; F122-E147 WeakPolarHBondContact CA-O 3.12Å; F122-E148 HydrophobicContact CD1-CB 3.8Å; F122-E148 HydrophobicContact CD1-CG 3.93Å; F122-E148 HydrophobicContact CE1-CB 3.52Å; F122-E148 HydrophobicContact CE1-CG 3.39Å; F122-E148 WeakPolarHBondContact CE1-OE2 3.38Å; F122-E148 HydrophobicContact CE2-CG 4.45Å; F122-E148 HydrophobicContact CZ-CB 4.33Å; F122-E148 HydrophobicContact CZ-CG 3.68Å; F122-E148 WeakPolarHBondContact CZ-OE1 3.46Å
123T98.3Very high95Very high0 Ų028.9 Ų28.90%015%0.145CC..EExtended strand (participates in β ladder)trans-117118.8163-57.70000109.8A87 D88 T89 V125 Y146 E147 N196 P201A87-T123 HydrophobicContact CB-CG2 4.37Å; D88-T123 CarbonylContact O-C 3.5Å; D88-T123 WeakPolarHBondContact O-CA 3.27Å; D88-T123 WeakPolarHBondContact O-CG2 3.35Å; T89-T123 WeakPolarHBondContact CG2-OG1 3.15Å; T89-T123 WeakPolarHBondContact OG1-CG2 3.47Å; T89-T123 PolarHBondContact OG1-OG1 3.3Å; T123-V125 HydrophobicContact CG2-CG2 4.09Å; T123-Y146 VanDerWaalsContact O-CA 3.27Å; T123-Y146 WeakPolarHBondContact O-CA 3.41Å; T123-E147 PolarHBondContact N-O 2.95Å; T123-E147 VanDerWaalsContact N-O 3.08Å; T123-E147 PolarHBondContact O-N 2.81Å; T123-N196 WeakPolarHBondContact CB-OD1 3.34Å; T123-N196 PolarHBondContact N-OD1 2.81Å; T123-N196 PolarHBondContact OG1-O 2.96Å; T123-N196 PolarHBondContact OG1-OD1 3.17Å; T123-P201 HydrophobicContact CG2-CG 4.41Å
124G98.1Very high93.8Very high0 Ų035.9 Ų35.90%018%0.181CC..EExtended strand (participates in β ladder)trans-83.6139.8165.300000110.1A62 A87 D88A62-G124 WeakPolarHBondContact CB-O 3.2Å; A87-G124 CarbonylContact C-O 3.57Å; A87-G124 WeakPolarHBondContact CA-O 3.37Å; D88-G124 PolarHBondContact N-O 3.28Å; D88-G124 PolarHBondContact O-N 2.77Å
125V98.4Very high92.5Very high0 Ų042.6 Ų42.60%022%0.217CC..EExtended strand (participates in β ladder)trans-130.1136.5177.1-178.60000108.9I85 G86 A87 T123 D144 F145 F200 P201 F205I85-V125 HydrophobicContact CG2-CG1 4.5Å; G86-V125 WeakPolarHBondContact O-CA 3.34Å; A87-V125 HydrophobicContact CB-CG2 4.29Å; T123-V125 HydrophobicContact CG2-CG2 4.09Å; V125-D144 VanDerWaalsContact O-CA 3.23Å; V125-D144 WeakPolarHBondContact O-CA 3.12Å; V125-D144 WeakPolarHBondContact O-CB 3.34Å; V125-F145 HydrophobicContact CB-CD1 4.29Å; V125-F145 HydrophobicContact CB-CD2 4.38Å; V125-F145 HydrophobicContact CB-CE1 3.76Å; V125-F145 HydrophobicContact CB-CE2 3.85Å; V125-F145 HydrophobicContact CB-CZ 3.51Å; V125-F145 HydrophobicContact CG1-CE1 3.69Å; V125-F145 HydrophobicContact CG1-CE2 4.4Å; V125-F145 HydrophobicContact CG1-CZ 3.58Å; V125-F145 HydrophobicContact CG2-CE2 3.99Å; V125-F145 HydrophobicContact CG2-CZ 3.96Å; V125-F145 PolarHBondContact N-O 2.93Å; V125-F145 PolarHBondContact O-N 3.26Å; V125-F200 HydrophobicContact CG1-CE2 3.97Å; V125-F200 HydrophobicContact CG1-CZ 3.99Å; V125-F200 HydrophobicContact CG2-CD2 4.36Å; V125-F200 HydrophobicContact CG2-CE2 3.95Å; V125-F200 HydrophobicContact CG2-CZ 4.32Å; V125-P201 HydrophobicContact CG2-CG 3.68Å; V125-F205 HydrophobicContact CG1-CD2 4.3Å
126A98.2Very high91.1Very high0 Ų048.2 Ų48.20%024%0.244CC..EExtended strand (participates in β ladder)trans-125.4134174.500000110A62 K63 A66 I85 G86 L142 I143 D144A62-A126 HydrophobicContact CB-CB 4.39Å; K63-A126 HydrophobicContact CB-CB 4.13Å; A66-A126 HydrophobicContact CB-CB 4.1Å; I85-A126 CarbonylContact C-O 3.57Å; I85-A126 WeakPolarHBondContact CA-O 3.47Å; G86-A126 PolarHBondContact N-O 2.62Å; G86-A126 PolarHBondContact O-N 2.67Å; A126-L142 HydrophobicContact CB-CD1 4.07Å; A126-I143 CarbonylContact C-O 3.23Å; A126-I143 WeakPolarHBondContact CA-O 3.44Å; A126-D144 HydrophobicContact CB-CB 4.28Å
127I97.3Very high90.1Very high0 Ų053.6 Ų53.60%027%0.265CS..EExtended strand (participates in β ladder)trans-117.5115.8174.7-53.6176.3000106.7I83 V84 L129 I143 F145 F205 L209 M212I83-I127 HydrophobicContact CG2-CG2 3.76Å; V84-I127 WeakPolarHBondContact O-CA 3.43Å; I127-L129 HydrophobicContact CG2-CD2 4.45Å; I127-I143 HydrophobicContact CB-CB 4.46Å; I127-I143 PolarHBondContact N-O 3.11Å; I127-I143 PolarHBondContact O-N 3.44Å; I127-F145 HydrophobicContact CD1-CE1 4.26Å; I127-F205 HydrophobicContact CD1-CD2 3.8Å; I127-F205 HydrophobicContact CD1-CE2 3.53Å; I127-F205 HydrophobicContact CG1-CD2 4.36Å; I127-F205 HydrophobicContact CG1-CE2 3.94Å; I127-L209 HydrophobicContact CD1-CD2 4.25Å; I127-M212 HydrophobicContact CD1-SD 4.27Å; I127-M212 HydrophobicContact CG2-CE 4.23Å
128V96.9Very high89.3Confident0 Ų050.9 Ų50.90%026%0.255CS..EExtended strand (participates in β ladder)trans-104.7114.3175.2-177.10000107.8A66 L67 A70 I83 V84 Y140 Q141 L142A66-V128 HydrophobicContact CB-CG2 3.67Å; L67-V128 HydrophobicContact CD2-CG1 4.22Å; L67-V128 HydrophobicContact CD2-CG2 3.92Å; L67-V128 HydrophobicContact CG-CG2 4.26Å; A70-V128 HydrophobicContact CB-CB 4.46Å; A70-V128 HydrophobicContact CB-CG1 3.96Å; I83-V128 CarbonylContact C-O 3.54Å; I83-V128 VanDerWaalsContact CA-O 3.31Å; I83-V128 WeakPolarHBondContact CA-O 3.22Å; V84-V128 HydrophobicContact CB-CB 4.28Å; V84-V128 PolarHBondContact N-O 3.41Å; V84-V128 PolarHBondContact O-N 2.75Å; V128-Y140 HydrophobicContact CG1-CD1 3.76Å; V128-Y140 HydrophobicContact CG1-CG 4.38Å; V128-Q141 CarbonylContact C-O 3.58Å; V128-Q141 WeakPolarHBondContact CA-O 3.23Å; V128-L142 HydrophobicContact CG2-CD1 3.83Å
129L94.2Very high88.8Confident15 Ų1551 Ų518%0.07926%0.258CS..EExtended strand (participates in β ladder)trans-86131.5166.5-57.4179.2000108.4D82 I83 I127 Y140 Q141 M212D82-L129 WeakPolarHBondContact O-CA 3.27Å; I83-L129 HydrophobicContact CB-CD2 4.46Å; I83-L129 HydrophobicContact CD1-CD2 4.06Å; I83-L129 HydrophobicContact CG1-CD2 3.75Å; I83-L129 HydrophobicContact CG2-CD2 4.27Å; I127-L129 HydrophobicContact CG2-CD2 4.45Å; L129-Y140 WeakPolarHBondContact O-CA 3.45Å; L129-Q141 HydrophobicContact CB-CB 4.22Å; L129-Q141 PolarHBondContact N-O 3.11Å; L129-Q141 PolarHBondContact O-N 3.28Å; L129-M212 HydrophobicContact CD1-CE 3.65Å; L129-M212 HydrophobicContact CD2-CE 3.75Å; L129-M212 HydrophobicContact CG-CE 3.89Å
130C92.4Very high88.5Confident5 Ų553.9 Ų53.93%0.03427%0.269CS..EExtended strand (participates in β ladder)trans-113.8128.5179.6-51.70000108.7T80 P81 D82 V138 D139 Y140T80-C130 HydrophobicContact CG2-CB 4.45Å; P81-C130 WeakPolarHBondContact O-CB 3.25Å; D82-C130 PolarHBondContact O-N 3.36Å; C130-V138 HydrophobicContact CB-CG1 3.75Å; C130-D139 CarbonylContact C-O 3.56Å; C130-D139 WeakPolarHBondContact CA-O 3.45Å; C130-Y140 HydrophobicContact CB-CD1 4.4Å; C130-Y140 HydrophobicContact CB-CE1 4.45Å
131H86.9Confident88.3Confident90 Ų9058.1 Ų58.142%0.41729%0.287SS..EExtended strand (participates in β ladder)trans-121.8114.2179.7-63.7-68.2000109.3V138 D139H131-V138 WeakPolarHBondContact O-CA 3.48Å; H131-D139 HydrophobicContact CB-CB 4.42Å; H131-D139 PolarHBondContact N-O 3.23Å; H131-D139 PolarHBondContact O-N 3.5Å
132E78.4Confident88.1Confident123 Ų12360.6 Ų60.658%0.57530%0.3SS*.EExtended strand (participates in β ladder)trans-73.8129.5175.2-159.8159.1-120.600109.3T80T80-E132 PolarHBondContact OG1-OE1 2.86Å
133K77.8Confident88Confident106 Ų10661.6 Ų61.646%0.46131%0.306SS..  trans-100164.3175.2-68.3178.8175.4164.50110.3D135 D136 E137 D139K133-D135 PolarHBondContact O-N 2.89Å; K133-D136 PolarHBondContact O-N 3.04Å; K133-E137 WeakPolarHBondContact CB-O 3.42Å; K133-E137 PolarHBondContact N-O 2.72Å; K133-D139 IonicContact NZ-OD2 3.33Å
134D72.1Confident87.9Confident175 Ų17564.8 Ų64.894%0.93632%0.323SS*.THydrogen-bonded Turntrans-58.8-16.7-177.5-64.7-41.8000114.4
135D71.8Confident87.9Confident142 Ų14265.5 Ų65.576%0.75933%0.326SS*.THydrogen-bonded Turntrans-100.922-180-71-30.1000114.1K133 E137K133-D135 PolarHBondContact O-N 2.89Å; D135-E137 PolarHBondContact O-N 3.24Å
136D66.3Low87.9Confident144 Ų14469.9 Ų69.977%0.7734%0.343SS*.SBendtrans59.910.8-173.5-64.1-40.4000114.5K133K133-D136 PolarHBondContact O-N 3.04Å
137E75.6Confident87.9Confident131 Ų13172.3 Ų72.361%0.61236%0.355SS*.PPolyproline II helixtrans-82.1136.7170.7-72.6-161159.300111.2K133 D135K133-E137 WeakPolarHBondContact CB-O 3.42Å; K133-E137 PolarHBondContact N-O 2.72Å; D135-E137 PolarHBondContact O-N 3.24Å
138V81.1Confident87.9Confident26 Ų2675.8 Ų75.816%0.15837%0.371CS..EExtended strand (participates in β ladder)trans-103.9120.7176.7-175.20000109.5P74 T80 C130 H131 Y140P74-V138 HydrophobicContact CG-CG2 4.33Å; T80-V138 HydrophobicContact CG2-CG1 4.09Å; T80-V138 HydrophobicContact CG2-CG2 3.87Å; C130-V138 HydrophobicContact CB-CG1 3.75Å; H131-V138 WeakPolarHBondContact O-CA 3.48Å; V138-Y140 HydrophobicContact CB-CE1 4.35Å; V138-Y140 HydrophobicContact CB-CE2 4.22Å; V138-Y140 HydrophobicContact CG1-CD1 4.22Å; V138-Y140 HydrophobicContact CG1-CE1 3.66Å; V138-Y140 HydrophobicContact CG1-CE2 4.27Å; V138-Y140 WeakPolarHBondContact O-CD2 3.4Å; V138-Y140 WeakPolarHBondContact O-CE2 3.3Å
139D88.3Confident88Confident78 Ų7875.8 Ų75.842%0.41737%0.371SS..EExtended strand (participates in β ladder)trans-85.7141.2170.1-164.47.5000110.6C130 H131 K133C130-D139 CarbonylContact C-O 3.56Å; C130-D139 WeakPolarHBondContact CA-O 3.45Å; H131-D139 HydrophobicContact CB-CB 4.42Å; H131-D139 PolarHBondContact N-O 3.23Å; H131-D139 PolarHBondContact O-N 3.5Å; K133-D139 IonicContact NZ-OD2 3.33Å
140Y91.7Very high88.2Confident66 Ų6678.8 Ų78.826%0.25938%0.383SS..EExtended strand (participates in β ladder)trans-121.6108-175-58.1-80000110.3A70 R71 V128 L129 C130 V138A70-Y140 HydrophobicContact CB-CD1 4.03Å; A70-Y140 HydrophobicContact CB-CE1 3.76Å; R71-Y140 HydrophobicContact CG-CE1 4.41Å; R71-Y140 HydrophobicContact CG-CE2 4.11Å; V128-Y140 HydrophobicContact CG1-CD1 3.76Å; V128-Y140 HydrophobicContact CG1-CG 4.38Å; L129-Y140 WeakPolarHBondContact O-CA 3.45Å; C130-Y140 HydrophobicContact CB-CD1 4.4Å; C130-Y140 HydrophobicContact CB-CE1 4.45Å; V138-Y140 HydrophobicContact CB-CE1 4.35Å; V138-Y140 HydrophobicContact CB-CE2 4.22Å; V138-Y140 HydrophobicContact CG1-CD1 4.22Å; V138-Y140 HydrophobicContact CG1-CE1 3.66Å; V138-Y140 HydrophobicContact CG1-CE2 4.27Å; V138-Y140 WeakPolarHBondContact O-CD2 3.4Å; V138-Y140 WeakPolarHBondContact O-CE2 3.3Å
141Q93.8Very high88.4Confident106 Ų10678.6 Ų78.650%0.49538%0.382SS..EExtended strand (participates in β ladder)trans-92.5123.1169.2-173.8-178.29.800109.3V128 L129V128-Q141 CarbonylContact C-O 3.58Å; V128-Q141 WeakPolarHBondContact CA-O 3.23Å; L129-Q141 HydrophobicContact CB-CB 4.22Å; L129-Q141 PolarHBondContact N-O 3.11Å; L129-Q141 PolarHBondContact O-N 3.28Å
142L94.4Very high89Confident53 Ų5376.6 Ų76.628%0.27737%0.372SS..EExtended strand (participates in β ladder)trans-105.3132.9-178.5176.370.2000110.8K63 A126 V128K63-L142 HydrophobicContact CD-CD2 3.52Å; K63-L142 HydrophobicContact CG-CD1 4.2Å; K63-L142 HydrophobicContact CG-CD2 3.66Å; A126-L142 HydrophobicContact CB-CD1 4.07Å; V128-L142 HydrophobicContact CG2-CD1 3.83Å
143I95.6Very high89.9Confident33 Ų3370.7 Ų70.717%0.16934%0.344CS..EExtended strand (participates in β ladder)trans-126.7124.9168.5-62.1164.3000106.8A126 I127 M212A126-I143 CarbonylContact C-O 3.23Å; A126-I143 WeakPolarHBondContact CA-O 3.44Å; I127-I143 HydrophobicContact CB-CB 4.46Å; I127-I143 PolarHBondContact N-O 3.11Å; I127-I143 PolarHBondContact O-N 3.44Å; I143-M212 HydrophobicContact CD1-CE 3.5Å; I143-M212 VanDerWaalsContact CD1-CE 3.5Å; I143-M212 HydrophobicContact CD1-CG 3.52Å; I143-M212 HydrophobicContact CD1-SD 3.43Å; I143-M212 WeakPolarHBondContact CD1-SD 3.42Å
144D96.9Very high90.8Very high67 Ų6766.8 Ų66.836%0.35833%0.332SS..EExtended strand (participates in β ladder)trans-133.3153177.160.152.9000111.6V59 V125 A126V59-D144 HydrophobicContact CG1-CB 3.84Å; V125-D144 VanDerWaalsContact O-CA 3.23Å; V125-D144 WeakPolarHBondContact O-CA 3.12Å; V125-D144 WeakPolarHBondContact O-CB 3.34Å; A126-D144 HydrophobicContact CB-CB 4.28Å
145F97.6Very high91.9Very high15 Ų1565.2 Ų65.27%0.06632%0.323CS..EExtended strand (participates in β ladder)trans-158.9170.2-17963.2-85.1000109.6V125 I127 P201 H204 F205 Q208V125-F145 HydrophobicContact CB-CD1 4.29Å; V125-F145 HydrophobicContact CB-CD2 4.38Å; V125-F145 HydrophobicContact CB-CE1 3.76Å; V125-F145 HydrophobicContact CB-CE2 3.85Å; V125-F145 HydrophobicContact CB-CZ 3.51Å; V125-F145 HydrophobicContact CG1-CE1 3.69Å; V125-F145 HydrophobicContact CG1-CE2 4.4Å; V125-F145 HydrophobicContact CG1-CZ 3.58Å; V125-F145 HydrophobicContact CG2-CE2 3.99Å; V125-F145 HydrophobicContact CG2-CZ 3.96Å; V125-F145 PolarHBondContact N-O 2.93Å; V125-F145 PolarHBondContact O-N 3.26Å; I127-F145 HydrophobicContact CD1-CE1 4.26Å; F145-P201 HydrophobicContact CE2-CG 4.05Å; F145-H204 HydrophobicContact CD2-CB 4.18Å; F145-H204 AromaticContact CD2-CD2 3.59Å; F145-H204 AromaticContact CD2-CE1 3.64Å; F145-H204 AromaticContact CD2-CG 3.51Å; F145-H204 AromaticContact CD2-ND1 3.57Å; F145-H204 AromaticContact CD2-NE2 3.68Å; F145-H204 HydrophobicContact CE2-CB 3.8Å; F145-H204 AromaticContact CE2-CD2 3.89Å; F145-H204 AromaticContact CE2-CG 3.64Å; F145-H204 AromaticContact CG-NE2 3.94Å; F145-F205 HydrophobicContact CZ-CB 3.91Å; F145-F205 HydrophobicContact CZ-CD2 4.2Å; F145-Q208 HydrophobicContact CD1-CB 4.47Å; F145-Q208 HydrophobicContact CD1-CG 3.65Å; F145-Q208 HydrophobicContact CE1-CB 4.18Å; F145-Q208 HydrophobicContact CE1-CG 3.73Å; F145-Q208 HydrophobicContact CG-CG 4.11Å; F145-Q208 HydrophobicContact CZ-CG 4.25Å
146Y98.3Very high93.1Very high92 Ų9259.5 Ų59.536%0.36129%0.292SS..EExtended strand (participates in β ladder)trans-134163.9173.374-85.6000111.6H55 F122 T123 H204H55-Y146 HydrophobicContact CB-CD1 4.09Å; H55-Y146 HydrophobicContact CB-CD2 3.64Å; H55-Y146 HydrophobicContact CB-CE1 4.33Å; H55-Y146 HydrophobicContact CB-CE2 3.9Å; H55-Y146 HydrophobicContact CB-CG 3.74Å; H55-Y146 AromaticContact CD2-CD1 3.77Å; H55-Y146 AromaticContact CD2-CE1 3.51Å; H55-Y146 AromaticContact CD2-CZ 3.85Å; H55-Y146 AromaticContact CG-CE1 3.92Å; H55-Y146 AromaticContact CG-CE2 3.98Å; H55-Y146 AromaticContact CG-CZ 3.85Å; F122-Y146 HydrophobicContact CD1-CD2 4.1Å; F122-Y146 HydrophobicContact CD1-CE2 4.4Å; F122-Y146 HydrophobicContact CE1-CE2 4.34Å; T123-Y146 VanDerWaalsContact O-CA 3.27Å; T123-Y146 WeakPolarHBondContact O-CA 3.41Å; Y146-H204 PolarHBondContact O-CE1 3.08Å; Y146-H204 PolarHBondContact O-ND1 3.4Å
147E98.3Very high94.5Very high52 Ų5255.6 Ų55.624%0.24328%0.277CS..EExtended strand (participates in β ladder)trans-130.2138.2168.4-167.565.1-128.800109.4F122 T123 D193 N196 P201 H204F122-E147 WeakPolarHBondContact CA-O 3.12Å; T123-E147 PolarHBondContact N-O 2.95Å; T123-E147 VanDerWaalsContact N-O 3.08Å; T123-E147 PolarHBondContact O-N 2.81Å; E147-D193 HydrophobicContact CG-CB 4.15Å; E147-N196 HydrophobicContact CB-CB 4.3Å; E147-N196 HydrophobicContact CG-CB 4Å; E147-N196 PolarHBondContact O-ND2 3.14Å; E147-N196 VanDerWaalsContact O-ND2 3.14Å; E147-P201 HydrophobicContact CB-CB 3.37Å; E147-P201 HydrophobicContact CB-CG 3.85Å; E147-P201 HydrophobicContact CG-CB 3.77Å; E147-H204 WeakPolarHBondContact OE2-CB 3.43Å; E147-H204 IonicContact OE2-CE1 3.05Å; E147-H204 IonicContact OE2-CG 3.34Å; E147-H204 IonicContact OE2-ND1 3.14Å; E147-H204 PolarHBondContact OE2-ND1 3.02Å
148E98.2Very high95.5Very high73 Ų7355.4 Ų55.434%0.34128%0.276SS..EExtended strand (participates in β ladder)trans-108.4138173.2-175.3177.2-178.800109.6S120 V121 F122S120-E148 VanDerWaalsContact CB-OE1 3.25Å; S120-E148 WeakPolarHBondContact CB-OE1 3.45Å; S120-E148 PolarHBondContact OG-OE1 3.15Å; V121-E148 CarbonylContact O-C 3.52Å; V121-E148 WeakPolarHBondContact O-CA 3.48Å; F122-E148 HydrophobicContact CD1-CB 3.8Å; F122-E148 HydrophobicContact CD1-CG 3.93Å; F122-E148 HydrophobicContact CE1-CB 3.52Å; F122-E148 HydrophobicContact CE1-CG 3.39Å; F122-E148 WeakPolarHBondContact CE1-OE2 3.38Å; F122-E148 HydrophobicContact CE2-CG 4.45Å; F122-E148 HydrophobicContact CZ-CB 4.33Å; F122-E148 HydrophobicContact CZ-CG 3.68Å; F122-E148 WeakPolarHBondContact CZ-OE1 3.46Å
149T98.1Very high96.2Very high0 Ų060.3 Ų60.30%030%0.301CS..EExtended strand (participates in β ladder)trans-139.8128.9172-60.70000110.2V121 V190 D193 N196 V197V121-T149 PolarHBondContact N-O 3.42Å; V121-T149 PolarHBondContact O-N 3.27Å; T149-V190 HydrophobicContact CG2-CG1 3.43Å; T149-V190 VanDerWaalsContact CG2-CG1 3.43Å; T149-D193 PolarHBondContact OG1-N 3.21Å; T149-D193 VanDerWaalsContact OG1-N 3.08Å; T149-D193 PolarHBondContact OG1-O 2.86Å; T149-N196 WeakPolarHBondContact CB-ND2 3.41Å; T149-N196 PolarHBondContact N-ND2 3.32Å; T149-N196 PolarHBondContact OG1-ND2 3.27Å; T149-V197 HydrophobicContact CG2-CG2 3.38Å
150K98.4Very high96.5Very high78 Ų7860.1 Ų60.134%0.33930%0.299SS..EExtended strand (participates in β ladder)trans-87136.5-179.5-68.1173.6157-139.10110.2E118 H119 V190 H191E118-K150 HydrophobicContact CG-CB 4.22Å; E118-K150 WeakPolarHBondContact OE1-CD 3.39Å; E118-K150 IonicContact OE1-NZ 2.64Å; E118-K150 PolarHBondContact OE1-NZ 2.65Å; H119-K150 CarbonylContact O-C 3.47Å; H119-K150 WeakPolarHBondContact O-CA 3.47Å; K150-V190 CarbonylContact O-C 3.56Å; K150-V190 WeakPolarHBondContact O-CA 3.44Å; K150-H191 HydrophobicContact CB-CB 4.26Å; K150-H191 PolarHBondContact N-O 3.17Å; K150-H191 PolarHBondContact O-N 2.84Å
151V98.3Very high96.7Very high0 Ų057.1 Ų57.10%029%0.287CS..EExtended strand (participates in β ladder)trans-129.7133.4179.2-179.60000107.9E118 H119 V121 F153 Y177 V187 V190 V197E118-V151 CarbonylContact C-O 3.42Å; E118-V151 WeakPolarHBondContact CA-O 3.12Å; H119-V151 PolarHBondContact N-O 3.24Å; H119-V151 PolarHBondContact ND1-O 3Å; H119-V151 PolarHBondContact O-N 3.27Å; V121-V151 HydrophobicContact CG2-CG2 3.89Å; V151-F153 HydrophobicContact CG1-CD1 4.14Å; V151-F153 HydrophobicContact CG1-CE1 4.12Å; V151-Y177 HydrophobicContact CG1-CE2 4.42Å; V151-V187 HydrophobicContact CG1-CB 4.43Å; V151-V187 HydrophobicContact CG1-CG1 3.77Å; V151-V187 HydrophobicContact CG1-CG2 3.81Å; V151-V190 HydrophobicContact CG2-CG1 4.44Å; V151-V190 HydrophobicContact CG2-CG2 4.35Å; V151-V197 HydrophobicContact CG2-CG1 4.01Å; V151-V197 HydrophobicContact CG2-CG2 3.72Å
152K98.1Very high96.9Very high48 Ų4856 Ų5621%0.20928%0.278CS..EExtended strand (participates in β ladder)trans-107.1125.7174.2172.870.2177.1-171.60109.4G116 E118 V187 E188 Y189G116-K152 PolarHBondContact O-NZ 3.35Å; E118-K152 HydrophobicContact CB-CD 4.36Å; K152-V187 CarbonylContact O-C 3.53Å; K152-V187 WeakPolarHBondContact O-CA 3.15Å; K152-E188 HydrophobicContact CB-CB 4.47Å; K152-E188 WeakPolarHBondContact CE-OE2 3.3Å; K152-E188 HydrophobicContact CG-CB 4.03Å; K152-E188 HydrophobicContact CG-CG 4.44Å; K152-E188 WeakPolarHBondContact CG-OE2 3.2Å; K152-E188 PolarHBondContact O-N 2.98Å; K152-Y189 HydrophobicContact CB-CD1 3.58Å; K152-Y189 HydrophobicContact CB-CD2 3.95Å; K152-Y189 HydrophobicContact CB-CE1 3.3Å; K152-Y189 HydrophobicContact CB-CE2 3.66Å; K152-Y189 HydrophobicContact CB-CG 3.9Å; K152-Y189 HydrophobicContact CD-CE1 4.31Å; K152-Y189 HydrophobicContact CG-CD1 3.86Å; K152-Y189 HydrophobicContact CG-CE1 3.43Å; K152-Y189 VanDerWaalsContact CG-CE1 3.43Å; K152-Y189 PolarHBondContact N-O 3.45Å
153F98.1Very high96.9Very high0 Ų060.1 Ų60.10%030%0.296CS..EExtended strand (participates in β ladder)trans-88.3148.5168.7-84.114.2000111.8L111 L114 G116 K117 H119 V151 L156 Y177 L186 V187L111-F153 HydrophobicContact CD2-CE2 4.1Å; L114-F153 HydrophobicContact CB-CD2 3.65Å; L114-F153 HydrophobicContact CB-CE2 3.81Å; L114-F153 HydrophobicContact CB-CG 4.43Å; L114-F153 HydrophobicContact CD1-CE2 4.08Å; L114-F153 HydrophobicContact CD1-CZ 4.41Å; L114-F153 WeakPolarHBondContact O-CB 3.38Å; G116-F153 WeakPolarHBondContact CA-O 3.45Å; K117-F153 PolarHBondContact O-N 2.89Å; H119-F153 AromaticContact CE1-CD1 3.49Å; H119-F153 VanDerWaalsContact CE1-CD1 3.49Å; H119-F153 WeakPolarHBondContact CE1-CD1 3.15Å; H119-F153 AromaticContact CE1-CE1 3.56Å; H119-F153 AromaticContact CE1-CG 3.88Å; H119-F153 AromaticContact NE2-CE1 3.99Å; V151-F153 HydrophobicContact CG1-CD1 4.14Å; V151-F153 HydrophobicContact CG1-CE1 4.12Å; F153-L156 HydrophobicContact CD2-CD1 3.72Å; F153-L156 HydrophobicContact CE2-CD1 4.24Å; F153-Y177 HydrophobicContact CE1-CD1 4.23Å; F153-Y177 AromaticContact CE1-CD2 3.89Å; F153-Y177 HydrophobicContact CE1-CD2 3.89Å; F153-Y177 HydrophobicContact CE1-CE1 4.11Å; F153-Y177 AromaticContact CE1-CE2 3.78Å; F153-Y177 HydrophobicContact CE1-CE2 3.78Å; F153-Y177 HydrophobicContact CE1-CG 4.12Å; F153-Y177 AromaticContact CE1-CZ 3.9Å; F153-Y177 HydrophobicContact CE2-CD1 4.45Å; F153-Y177 AromaticContact CZ-CD1 3.54Å; F153-Y177 HydrophobicContact CZ-CD1 3.54Å; F153-Y177 AromaticContact CZ-CD2 3.73Å; F153-Y177 HydrophobicContact CZ-CD2 3.73Å; F153-Y177 AromaticContact CZ-CE1 3.82Å; F153-Y177 HydrophobicContact CZ-CE1 3.82Å; F153-Y177 HydrophobicContact CZ-CE2 4.02Å; F153-Y177 AromaticContact CZ-CG 3.5Å; F153-Y177 HydrophobicContact CZ-CG 3.5Å; F153-Y177 VanDerWaalsContact CZ-CG 3.5Å; F153-L186 CarbonylContact C-O 3.5Å; F153-L186 WeakPolarHBondContact CA-O 3.45Å; F153-L186 HydrophobicContact CD1-CB 4.27Å; F153-L186 HydrophobicContact CD2-CB 4.23Å; F153-L186 HydrophobicContact CE1-CB 4.1Å; F153-L186 HydrophobicContact CE2-CB 4.03Å; F153-L186 HydrophobicContact CE2-CD1 3.97Å; F153-L186 HydrophobicContact CG-CB 4.34Å; F153-L186 WeakPolarHBondContact CG-O 3.39Å; F153-L186 HydrophobicContact CZ-CB 3.96Å; F153-L186 HydrophobicContact CZ-CD1 4.02Å; F153-V187 HydrophobicContact CD1-CG2 3.89Å; F153-V187 HydrophobicContact CE1-CG2 3.6Å
154A96.2Very high97Very high24 Ų2458.9 Ų58.920%0.19829%0.289CS..  trans-67.3168.3166.400000110.5G116 L156 L186 E188G116-A154 PolarHBondContact N-O 3.29Å; A154-L156 HydrophobicContact CB-CD2 4.23Å; A154-L156 WeakPolarHBondContact O-CG 3.3Å; A154-L156 PolarHBondContact O-N 2.95Å; A154-L186 PolarHBondContact N-O 3.33Å; A154-E188 WeakPolarHBondContact CA-OE1 3.38Å; A154-E188 HydrophobicContact CB-CG 3.8Å
155D96.1Very high96.9Very high141 Ų14155.7 Ų55.775%0.75427%0.272SS*.  trans-70.9113.6166.7-69.7-55.1000109.7G116G116-D155 WeakPolarHBondContact CA-OD1 3.27Å
156L95.5Very high96.8Very high22 Ų2259 Ų5912%0.11529%0.291CS..  trans-101.3133.8-172.5-51175000111S115 F153 A154 M160 L161 L186S115-L156 PolarHBondContact OG-N 3.34Å; F153-L156 HydrophobicContact CD2-CD1 3.72Å; F153-L156 HydrophobicContact CE2-CD1 4.24Å; A154-L156 HydrophobicContact CB-CD2 4.23Å; A154-L156 WeakPolarHBondContact O-CG 3.3Å; A154-L156 PolarHBondContact O-N 2.95Å; L156-M160 HydrophobicContact CD2-SD 3.84Å; L156-L161 HydrophobicContact CB-CD2 3.94Å; L156-L161 HydrophobicContact CB-CG 4.13Å; L156-L161 HydrophobicContact CD1-CD2 3.6Å; L156-L161 HydrophobicContact CG-CD2 4.4Å; L156-L186 HydrophobicContact CD1-CB 4.21Å; L156-L186 HydrophobicContact CD1-CD2 3.96Å; L156-L186 HydrophobicContact CD1-CG 4.45Å; L156-L186 HydrophobicContact CD2-CB 4.26Å; L156-L186 HydrophobicContact CD2-CD2 3.86Å
157S96.1Very high96.6Very high63 Ų6357.4 Ų57.444%0.44129%0.293SS..  trans-79.4154.9172.765.60000111.5D159 M160 L161S157-D159 VanDerWaalsContact C-N 3.26Å; S157-D159 PolarHBondContact O-N 2.54Å; S157-M160 PolarHBondContact O-N 3.45Å; S157-M160 WeakPolarHBondContact OG-CB 3.46Å; S157-M160 PolarHBondContact OG-N 2.98Å; S157-L161 WeakPolarHBondContact O-CG 3.44Å; S157-L161 PolarHBondContact O-N 2.93Å
158Q96Very high96.4Very high126 Ų12656.7 Ų56.759%0.58930%0.3SS*.Hα-helixtrans-58.2-40.3177.5-65.5-165.3-8.800112.2Y108 M160 L161 W162Y108-Q158 VanDerWaalsContact OH-CD 3.22Å; Y108-Q158 WeakPolarHBondContact OH-CG 3.22Å; Y108-Q158 PolarHBondContact OH-NE2 3.21Å; Q158-M160 PolarHBondContact O-N 3.17Å; Q158-L161 PolarHBondContact O-N 3.45Å; Q158-W162 VanDerWaalsContact O-CD1 3.3Å; Q158-W162 PolarHBondContact O-N 3.2Å
159D96.1Very high96.1Very high129 Ų12954.5 Ų54.569%0.6929%0.29SS*.Hα-helixtrans-62.5-44.4179.2-63.4-21.4000111.1S157 L161 W162 E163S157-D159 VanDerWaalsContact C-N 3.26Å; S157-D159 PolarHBondContact O-N 2.54Å; D159-L161 VanDerWaalsContact C-N 3.34Å; D159-L161 PolarHBondContact O-N 3.14Å; D159-W162 PolarHBondContact O-N 2.91Å; D159-E163 WeakPolarHBondContact O-CB 3.31Å; D159-E163 WeakPolarHBondContact O-CG 3.34Å; D159-E163 PolarHBondContact O-N 2.95Å
160M94.8Very high95.9Very high74 Ų7454.5 Ų54.537%0.36529%0.29SS..Hα-helixtrans-61.9-42.2176.7-178.9-179.5-71.500111.9L156 S157 Q158 E163 Y164 L186L156-M160 HydrophobicContact CD2-SD 3.84Å; S157-M160 PolarHBondContact O-N 3.45Å; S157-M160 WeakPolarHBondContact OG-CB 3.46Å; S157-M160 PolarHBondContact OG-N 2.98Å; Q158-M160 PolarHBondContact O-N 3.17Å; M160-E163 PolarHBondContact O-N 2.94Å; M160-Y164 WeakPolarHBondContact O-CB 3.48Å; M160-Y164 PolarHBondContact O-N 2.81Å; M160-L186 HydrophobicContact CG-CD2 4.49Å; M160-L186 HydrophobicContact SD-CD2 4.3Å
161L96.6Very high95.7Very high4 Ų453.6 Ų53.62%0.02129%0.287CS..Hα-helixtrans-60.6-46.1176.8-69.6-178.1000111.4Y108 L111 S112 L156 S157 Q158 D159 Y164 I165Y108-L161 HydrophobicContact CD2-CB 4.15Å; Y108-L161 HydrophobicContact CD2-CD1 4.35Å; Y108-L161 HydrophobicContact CE2-CB 4.18Å; Y108-L161 HydrophobicContact CE2-CD1 4.02Å; L111-L161 HydrophobicContact CB-CD2 3.66Å; L111-L161 HydrophobicContact CD1-CD2 4.39Å; S112-L161 WeakPolarHBondContact OG-CD1 3.36Å; L156-L161 HydrophobicContact CB-CD2 3.94Å; L156-L161 HydrophobicContact CB-CG 4.13Å; L156-L161 HydrophobicContact CD1-CD2 3.6Å; L156-L161 HydrophobicContact CG-CD2 4.4Å; S157-L161 WeakPolarHBondContact O-CG 3.44Å; S157-L161 PolarHBondContact O-N 2.93Å; Q158-L161 PolarHBondContact O-N 3.45Å; D159-L161 VanDerWaalsContact C-N 3.34Å; D159-L161 PolarHBondContact O-N 3.14Å; L161-Y164 PolarHBondContact O-N 3.12Å; L161-I165 WeakPolarHBondContact O-CB 3.39Å; L161-I165 VanDerWaalsContact O-CD1 3.3Å; L161-I165 WeakPolarHBondContact O-CD1 3.45Å; L161-I165 WeakPolarHBondContact O-CG1 3.36Å; L161-I165 PolarHBondContact O-N 3.2Å
162W97.2Very high95.3Very high81 Ų8156.6 Ų56.631%0.30730%0.303SS..Hα-helixtrans-68.7-39179.8-81113.9000113.2K104 Y108 Q158 D159 Y164 I165 N166K104-W162 HydrophobicContact CB-CZ3 4.29Å; Y108-W162 HydrophobicContact CD2-CD2 4.26Å; Y108-W162 AromaticContact CD2-CE2 3.66Å; Y108-W162 AromaticContact CD2-CZ2 3.97Å; Y108-W162 HydrophobicContact CD2-CZ2 3.97Å; Y108-W162 AromaticContact CD2-NE1 3.53Å; Y108-W162 AromaticContact CE2-CD1 3.93Å; Y108-W162 AromaticContact CE2-NE1 3.46Å; Y108-W162 AromaticContact CG-CZ2 3.95Å; Y108-W162 HydrophobicContact CG-CZ2 3.95Å; Q158-W162 VanDerWaalsContact O-CD1 3.3Å; Q158-W162 PolarHBondContact O-N 3.2Å; D159-W162 PolarHBondContact O-N 2.91Å; W162-Y164 VanDerWaalsContact C-N 3.34Å; W162-I165 HydrophobicContact CE3-CB 4.39Å; W162-I165 HydrophobicContact CE3-CD1 4.27Å; W162-I165 HydrophobicContact CE3-CG2 4.25Å; W162-I165 HydrophobicContact CZ3-CG2 4.24Å; W162-I165 PolarHBondContact O-N 3.46Å; W162-N166 VanDerWaalsContact O-CB 3.28Å; W162-N166 WeakPolarHBondContact O-CB 3.37Å; W162-N166 PolarHBondContact O-N 2.69Å; W162-N166 PolarHBondContact O-ND2 3.34Å; W162-N166 VanDerWaalsContact O-ND2 3.12Å
163E95.4Very high95.1Very high141 Ų14155.2 Ų55.266%0.65930%0.297SS*.Hα-helixtrans-58.9-47.2172.3-76-63.1155.900111.1D159 M160 I165 N166 S167D159-E163 WeakPolarHBondContact O-CB 3.31Å; D159-E163 WeakPolarHBondContact O-CG 3.34Å; D159-E163 PolarHBondContact O-N 2.95Å; M160-E163 PolarHBondContact O-N 2.94Å; E163-I165 PolarHBondContact O-N 3.42Å; E163-N166 PolarHBondContact O-N 2.82Å; E163-S167 PolarHBondContact O-N 3.45Å; E163-S167 VanDerWaalsContact O-N 3.14Å
164Y96.1Very high94.8Very high6 Ų655.9 Ų55.92%0.02430%0.303CS..Hα-helixtrans-63.1-41177178.6-119.4000112.3L111 M160 L161 W162 N166 S167 E169 P170 G176 Y177 G178 L182 G183 L186L111-Y164 HydrophobicContact CD1-CD1 3.71Å; L111-Y164 HydrophobicContact CD1-CE1 3.96Å; L111-Y164 HydrophobicContact CD2-CD1 4.49Å; L111-Y164 HydrophobicContact CD2-CE1 4.16Å; M160-Y164 WeakPolarHBondContact O-CB 3.48Å; M160-Y164 PolarHBondContact O-N 2.81Å; L161-Y164 PolarHBondContact O-N 3.12Å; W162-Y164 VanDerWaalsContact C-N 3.34Å; Y164-N166 VanDerWaalsContact C-N 3.34Å; Y164-N166 PolarHBondContact O-N 3.24Å; Y164-S167 WeakPolarHBondContact O-CB 3.49Å; Y164-S167 PolarHBondContact O-N 2.96Å; Y164-S167 PolarHBondContact O-OG 3.3Å; Y164-E169 HydrophobicContact CE2-CB 4Å; Y164-E169 HydrophobicContact CE2-CG 4.2Å; Y164-E169 PolarHBondContact OH-OE1 2.76Å; Y164-P170 HydrophobicContact CD1-CG 3.78Å; Y164-P170 HydrophobicContact CE1-CB 4.44Å; Y164-P170 HydrophobicContact CE1-CG 3.42Å; Y164-P170 VanDerWaalsContact CE1-CG 3.42Å; Y164-P170 HydrophobicContact CE2-CG 4.4Å; Y164-P170 HydrophobicContact CG-CG 4.42Å; Y164-P170 WeakPolarHBondContact O-CD 3.49Å; Y164-G176 WeakPolarHBondContact CE1-O 3.37Å; Y164-G176 PolarHBondContact OH-O 2.79Å; Y164-Y177 VanDerWaalsContact OH-CA 3.22Å; Y164-Y177 WeakPolarHBondContact OH-CA 3.34Å; Y164-G178 PolarHBondContact OH-N 2.68Å; Y164-L182 HydrophobicContact CD2-CB 3.99Å; Y164-L182 HydrophobicContact CE2-CB 3.89Å; Y164-G183 VanDerWaalsContact CE2-N 3.33Å; Y164-L186 HydrophobicContact CD1-CD1 3.69Å; Y164-L186 HydrophobicContact CE1-CD1 3.58Å; Y164-L186 HydrophobicContact CG-CD1 4.36Å
165I96.3Very high94.8Very high0 Ų054.8 Ų54.80%029%0.294CS..Hα-helixtrans-64.9-38.2175-68.4161000111.9K104 A107 Y108 L111 L161 W162 E163 S167 G168 P170 M171K104-I165 HydrophobicContact CB-CG2 3.69Å; K104-I165 HydrophobicContact CD-CG2 3.96Å; K104-I165 HydrophobicContact CG-CG2 3.64Å; A107-I165 HydrophobicContact CB-CD1 4.34Å; A107-I165 HydrophobicContact CB-CG1 4.12Å; Y108-I165 HydrophobicContact CD2-CD1 4.16Å; Y108-I165 HydrophobicContact CG-CD1 4.44Å; L111-I165 HydrophobicContact CD1-CD1 4.1Å; L111-I165 HydrophobicContact CD1-CG1 3.78Å; L161-I165 WeakPolarHBondContact O-CB 3.39Å; L161-I165 VanDerWaalsContact O-CD1 3.3Å; L161-I165 WeakPolarHBondContact O-CD1 3.45Å; L161-I165 WeakPolarHBondContact O-CG1 3.36Å; L161-I165 PolarHBondContact O-N 3.2Å; W162-I165 HydrophobicContact CE3-CB 4.39Å; W162-I165 HydrophobicContact CE3-CD1 4.27Å; W162-I165 HydrophobicContact CE3-CG2 4.25Å; W162-I165 HydrophobicContact CZ3-CG2 4.24Å; W162-I165 PolarHBondContact O-N 3.46Å; E163-I165 PolarHBondContact O-N 3.42Å; I165-S167 VanDerWaalsContact C-N 3.25Å; I165-S167 PolarHBondContact O-N 3.31Å; I165-G168 PolarHBondContact O-N 2.79Å; I165-G168 VanDerWaalsContact O-N 3.11Å; I165-P170 HydrophobicContact CG1-CG 4.38Å; I165-M171 HydrophobicContact CG2-CE 4.44Å
166N95.6Very high94.7Very high86 Ų8648 Ų4846%0.4626%0.258SS..Hα-helixtrans-70.8-20.7-179.7-74.9-30.5000113.4K104 W162 E163 Y164 G168K104-N166 PolarHBondContact NZ-OD1 3.05Å; W162-N166 VanDerWaalsContact O-CB 3.28Å; W162-N166 WeakPolarHBondContact O-CB 3.37Å; W162-N166 PolarHBondContact O-N 2.69Å; W162-N166 PolarHBondContact O-ND2 3.34Å; W162-N166 VanDerWaalsContact O-ND2 3.12Å; E163-N166 PolarHBondContact O-N 2.82Å; Y164-N166 VanDerWaalsContact C-N 3.34Å; Y164-N166 PolarHBondContact O-N 3.24Å; N166-G168 PolarHBondContact O-N 3.39Å
167S93.9Very high94.8Very high57 Ų5747.6 Ų47.640%0.39926%0.255SS..THydrogen-bonded Turntrans-61.7-21.7169.179.40000113.6E163 Y164 I165 E169E163-S167 PolarHBondContact O-N 3.45Å; E163-S167 VanDerWaalsContact O-N 3.14Å; Y164-S167 WeakPolarHBondContact O-CB 3.49Å; Y164-S167 PolarHBondContact O-N 2.96Å; Y164-S167 PolarHBondContact O-OG 3.3Å; I165-S167 VanDerWaalsContact C-N 3.25Å; I165-S167 PolarHBondContact O-N 3.31Å; S167-E169 PolarHBondContact O-N 2.67Å; S167-E169 WeakPolarHBondContact OG-CB 3.38Å; S167-E169 PolarHBondContact OG-N 3.03Å; S167-E169 VanDerWaalsContact OG-N 3.16Å
168G93.4Very high94.6Very high38 Ų3844.7 Ų44.739%0.39224%0.235SC..SBendtrans80.6-9.6-174.500000114.5I165 N166 P170 M171I165-G168 PolarHBondContact O-N 2.79Å; I165-G168 VanDerWaalsContact O-N 3.11Å; N166-G168 PolarHBondContact O-N 3.39Å; G168-P170 VanDerWaalsContact C-CD 3.43Å; G168-M171 PolarHBondContact O-N 3.47Å
169E92.3Very high94.4Very high26 Ų2639.7 Ų39.712%0.12121%0.212CC..G310 helixtrans-56.4-38.7-180-172.7-179.8133.600114.3Y164 S167 M171 K173 G178 A181 L182 G183Y164-E169 HydrophobicContact CE2-CB 4Å; Y164-E169 HydrophobicContact CE2-CG 4.2Å; Y164-E169 PolarHBondContact OH-OE1 2.76Å; S167-E169 PolarHBondContact O-N 2.67Å; S167-E169 WeakPolarHBondContact OG-CB 3.38Å; S167-E169 PolarHBondContact OG-N 3.03Å; S167-E169 VanDerWaalsContact OG-N 3.16Å; E169-M171 VanDerWaalsContact C-N 3.26Å; E169-M171 PolarHBondContact O-N 2.81Å; E169-K173 HydrophobicContact CG-CD 4.37Å; E169-K173 VanDerWaalsContact CG-NZ 3.33Å; E169-K173 PolarHBondContact O-NZ 3.08Å; E169-G178 VanDerWaalsContact OE1-O 3.13Å; E169-A181 WeakPolarHBondContact OE1-CB 3.32Å; E169-A181 WeakPolarHBondContact OE2-CB 3.48Å; E169-L182 PolarHBondContact OE1-N 3.35Å; E169-L182 WeakPolarHBondContact OE2-CA 3.25Å; E169-L182 WeakPolarHBondContact OE2-CB 3.32Å; E169-L182 WeakPolarHBondContact OE2-CG 3.44Å; E169-L182 PolarHBondContact OE2-N 2.96Å; E169-G183 PolarHBondContact OE1-N 3.36Å
170P93.6Very high93.9Very high0 Ų037.3 Ų37.30%020%0.196CC..G310 helixtrans-60.9-28.8-176.9-34.743.8000116A107 L111 Y164 I165 G168 D172 K173 G176A107-P170 HydrophobicContact CB-CB 4.24Å; L111-P170 HydrophobicContact CD1-CG 4.48Å; Y164-P170 HydrophobicContact CD1-CG 3.78Å; Y164-P170 HydrophobicContact CE1-CB 4.44Å; Y164-P170 HydrophobicContact CE1-CG 3.42Å; Y164-P170 VanDerWaalsContact CE1-CG 3.42Å; Y164-P170 HydrophobicContact CE2-CG 4.4Å; Y164-P170 HydrophobicContact CG-CG 4.42Å; Y164-P170 WeakPolarHBondContact O-CD 3.49Å; I165-P170 HydrophobicContact CG1-CG 4.38Å; G168-P170 VanDerWaalsContact C-CD 3.43Å; P170-D172 VanDerWaalsContact C-N 3.31Å; P170-D172 PolarHBondContact O-N 3.01Å; P170-K173 PolarHBondContact O-N 2.92Å; P170-G176 VanDerWaalsContact CA-O 3.29Å; P170-G176 WeakPolarHBondContact CA-O 3.34Å; P170-G176 WeakPolarHBondContact CB-O 3.41Å; P170-G176 WeakPolarHBondContact CG-O 3.34Å
171M93.8Very high93.5Very high59 Ų5936.4 Ų36.429%0.29120%0.201SC..G310 helixtrans-66.6-28.5-156.8-62.8-67.2103.800114.3P101 K104 A107 I165 G168 E169P101-M171 HydrophobicContact CB-CE 4.43Å; P101-M171 HydrophobicContact CG-CE 3.93Å; K104-M171 HydrophobicContact CG-CE 4.44Å; K104-M171 HydrophobicContact CG-SD 4.45Å; A107-M171 HydrophobicContact CB-CE 3.4Å; A107-M171 VanDerWaalsContact CB-CE 3.4Å; I165-M171 HydrophobicContact CG2-CE 4.44Å; G168-M171 PolarHBondContact O-N 3.47Å; E169-M171 VanDerWaalsContact C-N 3.26Å; E169-M171 PolarHBondContact O-N 2.81Å
172D90.8Very high93.2Very high63 Ų6340.2 Ų40.234%0.33722%0.221SC..G310 helixtrans-102.713.2-176.980.3-46.7000113.5R23 P170R23-D172 IonicContact CZ-OD2 2.76Å; R23-D172 IonicContact NH1-OD1 3.51Å; R23-D172 PolarHBondContact NH1-OD1 3.39Å; R23-D172 IonicContact NH1-OD2 3.96Å; R23-D172 PolarHBondContact NH1-OD2 3.09Å; R23-D172 PolarHBondContact NH2-O 2.97Å; R23-D172 IonicContact NH2-OD2 2.65Å; P170-D172 VanDerWaalsContact C-N 3.31Å; P170-D172 PolarHBondContact O-N 3.01Å
173K93.1Very high92.8Very high19 Ų1936.4 Ų36.48%0.08321%0.206CC..SBendtrans-124.2141.6-168.2-56.8-175179.357.70112.9K100 P101 E169 P170 G176 Y177 G178K100-K173 WeakPolarHBondContact CA-O 3.44Å; P101-K173 WeakPolarHBondContact CD-O 3.22Å; E169-K173 HydrophobicContact CG-CD 4.37Å; E169-K173 VanDerWaalsContact CG-NZ 3.33Å; E169-K173 PolarHBondContact O-NZ 3.08Å; P170-K173 PolarHBondContact O-N 2.92Å; K173-G176 PolarHBondContact O-N 3.43Å; K173-Y177 WeakPolarHBondContact CB-O 3.17Å; K173-Y177 VanDerWaalsContact CD-C 3.41Å; K173-Y177 WeakPolarHBondContact CD-O 3.48Å; K173-G178 VanDerWaalsContact CD-CA 3.42Å
174A92.9Very high92.5Very high15 Ų1531 Ų3112%0.12419%0.189CC..G310 helixtrans-61.9135.9173.500000110.3T89 V91 E99 G176T89-A174 HydrophobicContact CG2-CB 4.31Å; T89-A174 VanDerWaalsContact O-CB 3.22Å; T89-A174 WeakPolarHBondContact O-CB 3.39Å; V91-A174 HydrophobicContact CG2-CB 4.11Å; V91-A174 WeakPolarHBondContact CG2-O 3.33Å; E99-A174 CarbonylContact O-C 3.55Å; E99-A174 WeakPolarHBondContact O-CA 3.45Å; A174-G176 PolarHBondContact O-N 3.49Å; A174-G176 VanDerWaalsContact O-N 3.12Å
175G94.6Very high92.4Very high0 Ų035.8 Ų35.80%021%0.212CC..G310 helixtrans65.46.7-174.100000114.6E99 Y177E99-G175 PolarHBondContact O-N 2.95Å; G175-Y177 PolarHBondContact O-N 2.83Å
176G95.6Very high92.4Very high0 Ų035.8 Ų35.80%021%0.212CC..G310 helixtrans7319.4179.100000114.8Y164 P170 K173 A174Y164-G176 WeakPolarHBondContact CE1-O 3.37Å; Y164-G176 PolarHBondContact OH-O 2.79Å; P170-G176 VanDerWaalsContact CA-O 3.29Å; P170-G176 WeakPolarHBondContact CA-O 3.34Å; P170-G176 WeakPolarHBondContact CB-O 3.41Å; P170-G176 WeakPolarHBondContact CG-O 3.34Å; K173-G176 PolarHBondContact O-N 3.43Å; A174-G176 PolarHBondContact O-N 3.49Å; A174-G176 VanDerWaalsContact O-N 3.12Å
177Y95.8Very high92.5Very high13 Ų1333 Ų335%0.05120%0.199CC..  trans-141.3154.4178.180.4-82.7000117.2V91 L114 H119 V121 V151 F153 Y164 K173 G175 V187 V197V91-Y177 HydrophobicContact CG1-CE1 4.45Å; V91-Y177 HydrophobicContact CG2-CE1 4.06Å; L114-Y177 HydrophobicContact CD1-CD1 4.23Å; L114-Y177 HydrophobicContact CD1-CE1 4.26Å; H119-Y177 AromaticContact NE2-CE1 3.5Å; H119-Y177 AromaticContact NE2-CZ 3.45Å; H119-Y177 PolarHBondContact NE2-OH 3.49Å; V121-Y177 WeakPolarHBondContact CG2-OH 3.37Å; V151-Y177 HydrophobicContact CG1-CE2 4.42Å; F153-Y177 HydrophobicContact CE1-CD1 4.23Å; F153-Y177 AromaticContact CE1-CD2 3.89Å; F153-Y177 HydrophobicContact CE1-CD2 3.89Å; F153-Y177 HydrophobicContact CE1-CE1 4.11Å; F153-Y177 AromaticContact CE1-CE2 3.78Å; F153-Y177 HydrophobicContact CE1-CE2 3.78Å; F153-Y177 HydrophobicContact CE1-CG 4.12Å; F153-Y177 AromaticContact CE1-CZ 3.9Å; F153-Y177 HydrophobicContact CE2-CD1 4.45Å; F153-Y177 AromaticContact CZ-CD1 3.54Å; F153-Y177 HydrophobicContact CZ-CD1 3.54Å; F153-Y177 AromaticContact CZ-CD2 3.73Å; F153-Y177 HydrophobicContact CZ-CD2 3.73Å; F153-Y177 AromaticContact CZ-CE1 3.82Å; F153-Y177 HydrophobicContact CZ-CE1 3.82Å; F153-Y177 HydrophobicContact CZ-CE2 4.02Å; F153-Y177 AromaticContact CZ-CG 3.5Å; F153-Y177 HydrophobicContact CZ-CG 3.5Å; F153-Y177 VanDerWaalsContact CZ-CG 3.5Å; Y164-Y177 VanDerWaalsContact OH-CA 3.22Å; Y164-Y177 WeakPolarHBondContact OH-CA 3.34Å; K173-Y177 WeakPolarHBondContact CB-O 3.17Å; K173-Y177 VanDerWaalsContact CD-C 3.41Å; K173-Y177 WeakPolarHBondContact CD-O 3.48Å; G175-Y177 PolarHBondContact O-N 2.83Å; Y177-V187 HydrophobicContact CE2-CG2 4.35Å; Y177-V197 HydrophobicContact CE2-CG1 4.25Å
178G92Very high92.6Very high2 Ų235.7 Ų35.72%0.02121%0.205CC..  trans-127.610617600000112.3Y164 E169 K173 Q180 A181 G183 G184Y164-G178 PolarHBondContact OH-N 2.68Å; E169-G178 VanDerWaalsContact OE1-O 3.13Å; K173-G178 VanDerWaalsContact CD-CA 3.42Å; G178-Q180 PolarHBondContact O-N 3.45Å; G178-Q180 VanDerWaalsContact O-N 3.16Å; G178-A181 PolarHBondContact O-N 2.86Å; G178-G183 CarbonylContact O-C 3.5Å; G178-G183 VanDerWaalsContact O-CA 3.27Å; G178-G183 WeakPolarHBondContact O-CA 3.46Å; G178-G183 PolarHBondContact O-N 3.14Å; G178-G184 PolarHBondContact O-N 2.96Å
179I91.9Very high92.8Very high20 Ų2038.9 Ų38.910%0.10321%0.206CC..THydrogen-bonded Turntrans-62.6-25.1-178.1-165.9169.3000113.8A181 G184 V187 V190 F194 V197 V198I179-A181 VanDerWaalsContact C-N 3.29Å; I179-A181 PolarHBondContact O-N 3.22Å; I179-G184 WeakPolarHBondContact O-CA 3.44Å; I179-V187 HydrophobicContact CD1-CB 4.3Å; I179-V187 HydrophobicContact CD1-CG1 3.93Å; I179-V187 HydrophobicContact CD1-CG2 4.06Å; I179-V187 HydrophobicContact CG1-CB 4.49Å; I179-V187 HydrophobicContact CG1-CG2 4.08Å; I179-V190 HydrophobicContact CD1-CG2 3.22Å; I179-F194 HydrophobicContact CB-CE2 4.45Å; I179-F194 HydrophobicContact CD1-CD2 4.21Å; I179-F194 HydrophobicContact CD1-CE2 3.82Å; I179-F194 HydrophobicContact CG1-CE2 3.96Å; I179-F194 HydrophobicContact CG2-CD2 4.42Å; I179-F194 HydrophobicContact CG2-CE2 3.7Å; I179-F194 HydrophobicContact CG2-CZ 3.92Å; I179-V197 HydrophobicContact CB-CG1 4.11Å; I179-V197 HydrophobicContact CD1-CG1 4.42Å; I179-V197 HydrophobicContact CG2-CB 4.18Å; I179-V197 HydrophobicContact CG2-CG1 3.64Å; I179-V198 HydrophobicContact CG2-CG2 3.98Å
180Q85.3Confident93.1Very high79 Ų7939.9 Ų39.937%0.36921%0.213SC..THydrogen-bonded Turntrans-80-4-178.870.7-75-10.300114.9R23 G178 V198R23-Q180 VanDerWaalsContact CD-NE2 3.28Å; G178-Q180 PolarHBondContact O-N 3.45Å; G178-Q180 VanDerWaalsContact O-N 3.16Å; Q180-V198 HydrophobicContact CB-CG2 4.28Å; Q180-V198 HydrophobicContact CG-CG1 4.33Å
181A87.9Confident93.2Very high55 Ų5546.3 Ų46.346%0.45524%0.243SC..THydrogen-bonded Turntrans-134.8-139.6-17700000110.3E169 G178 I179 G183 G184E169-A181 WeakPolarHBondContact OE1-CB 3.32Å; E169-A181 WeakPolarHBondContact OE2-CB 3.48Å; G178-A181 PolarHBondContact O-N 2.86Å; I179-A181 VanDerWaalsContact C-N 3.29Å; I179-A181 PolarHBondContact O-N 3.22Å; A181-G183 PolarHBondContact O-N 3.11Å; A181-G184 PolarHBondContact O-N 3.23Å; A181-G184 VanDerWaalsContact O-N 3.09Å
182L88.9Confident93.3Very high85 Ų8546.2 Ų46.245%0.44526%0.257SS..G310 helixtrans-60.5-33.6-177.4-60.6173.8000111.2Y164 E169 G184 M185Y164-L182 HydrophobicContact CD2-CB 3.99Å; Y164-L182 HydrophobicContact CE2-CB 3.89Å; E169-L182 PolarHBondContact OE1-N 3.35Å; E169-L182 WeakPolarHBondContact OE2-CA 3.25Å; E169-L182 WeakPolarHBondContact OE2-CB 3.32Å; E169-L182 WeakPolarHBondContact OE2-CG 3.44Å; E169-L182 PolarHBondContact OE2-N 2.96Å; L182-G184 PolarHBondContact O-N 2.87Å; L182-M185 HydrophobicContact CB-CE 3.99Å; L182-M185 HydrophobicContact CD2-CE 4.26Å; L182-M185 WeakPolarHBondContact O-CB 3.34Å; L182-M185 VanDerWaalsContact O-CE 3.31Å; L182-M185 WeakPolarHBondContact O-CE 3.43Å; L182-M185 WeakPolarHBondContact O-CG 3.5Å; L182-M185 PolarHBondContact O-N 2.81Å
183G88.6Confident93.5Very high0 Ų044.8 Ų44.80%025%0.249CC..G310 helixtrans-60.4-15.3177.700000114.4Y164 E169 G178 A181 M185 L186Y164-G183 VanDerWaalsContact CE2-N 3.33Å; E169-G183 PolarHBondContact OE1-N 3.36Å; G178-G183 CarbonylContact O-C 3.5Å; G178-G183 VanDerWaalsContact O-CA 3.27Å; G178-G183 WeakPolarHBondContact O-CA 3.46Å; G178-G183 PolarHBondContact O-N 3.14Å; A181-G183 PolarHBondContact O-N 3.11Å; G183-M185 PolarHBondContact O-N 3.46Å; G183-L186 WeakPolarHBondContact O-CB 3.29Å; G183-L186 WeakPolarHBondContact O-CG 3.38Å; G183-L186 PolarHBondContact O-N 3.23Å; G183-L186 VanDerWaalsContact O-N 3.13Å
184G91.1Very high93.7Very high28 Ų2848.5 Ų48.529%0.28927%0.266SS..G310 helixtrans-60.4-25.4170.700000113.5G178 I179 A181 L182 L186 V187G178-G184 PolarHBondContact O-N 2.96Å; I179-G184 WeakPolarHBondContact O-CA 3.44Å; A181-G184 PolarHBondContact O-N 3.23Å; A181-G184 VanDerWaalsContact O-N 3.09Å; L182-G184 PolarHBondContact O-N 2.87Å; G184-L186 PolarHBondContact O-N 3.46Å; G184-V187 PolarHBondContact O-N 3.47Å
185M93.7Very high93.8Very high106 Ų10649.8 Ų49.852%0.52227%0.27SS..G310 helixtrans-67.9-18.4176.180.9-179.465.400113.4L182 G183L182-M185 HydrophobicContact CB-CE 3.99Å; L182-M185 HydrophobicContact CD2-CE 4.26Å; L182-M185 WeakPolarHBondContact O-CB 3.34Å; L182-M185 VanDerWaalsContact O-CE 3.31Å; L182-M185 WeakPolarHBondContact O-CE 3.43Å; L182-M185 WeakPolarHBondContact O-CG 3.5Å; L182-M185 PolarHBondContact O-N 2.81Å; G183-M185 PolarHBondContact O-N 3.46Å
186L95.8Very high93.9Very high0 Ų049.8 Ų49.80%027%0.27CS..G310 helixtrans-84.8-18-177.8-48.5-180000112.2L111 F153 A154 L156 M160 Y164 G183 G184L111-L186 HydrophobicContact CD2-CD1 4.08Å; F153-L186 CarbonylContact C-O 3.5Å; F153-L186 WeakPolarHBondContact CA-O 3.45Å; F153-L186 HydrophobicContact CD1-CB 4.27Å; F153-L186 HydrophobicContact CD2-CB 4.23Å; F153-L186 HydrophobicContact CE1-CB 4.1Å; F153-L186 HydrophobicContact CE2-CB 4.03Å; F153-L186 HydrophobicContact CE2-CD1 3.97Å; F153-L186 HydrophobicContact CG-CB 4.34Å; F153-L186 WeakPolarHBondContact CG-O 3.39Å; F153-L186 HydrophobicContact CZ-CB 3.96Å; F153-L186 HydrophobicContact CZ-CD1 4.02Å; A154-L186 PolarHBondContact N-O 3.33Å; L156-L186 HydrophobicContact CD1-CB 4.21Å; L156-L186 HydrophobicContact CD1-CD2 3.96Å; L156-L186 HydrophobicContact CD1-CG 4.45Å; L156-L186 HydrophobicContact CD2-CB 4.26Å; L156-L186 HydrophobicContact CD2-CD2 3.86Å; M160-L186 HydrophobicContact CG-CD2 4.49Å; M160-L186 HydrophobicContact SD-CD2 4.3Å; Y164-L186 HydrophobicContact CD1-CD1 3.69Å; Y164-L186 HydrophobicContact CE1-CD1 3.58Å; Y164-L186 HydrophobicContact CG-CD1 4.36Å; G183-L186 WeakPolarHBondContact O-CB 3.29Å; G183-L186 WeakPolarHBondContact O-CG 3.38Å; G183-L186 PolarHBondContact O-N 3.23Å; G183-L186 VanDerWaalsContact O-N 3.13Å; G184-L186 PolarHBondContact O-N 3.46Å
187V96.9Very high94Very high28 Ų2850.5 Ų50.517%0.1728%0.275CS..EExtended strand (participates in β ladder)trans-100.2127.2-166.6178.40000111.1V151 K152 F153 Y177 I179 G184 Y189 V190V151-V187 HydrophobicContact CG1-CB 4.43Å; V151-V187 HydrophobicContact CG1-CG1 3.77Å; V151-V187 HydrophobicContact CG1-CG2 3.81Å; K152-V187 CarbonylContact O-C 3.53Å; K152-V187 WeakPolarHBondContact O-CA 3.15Å; F153-V187 HydrophobicContact CD1-CG2 3.89Å; F153-V187 HydrophobicContact CE1-CG2 3.6Å; Y177-V187 HydrophobicContact CE2-CG2 4.35Å; I179-V187 HydrophobicContact CD1-CB 4.3Å; I179-V187 HydrophobicContact CD1-CG1 3.93Å; I179-V187 HydrophobicContact CD1-CG2 4.06Å; I179-V187 HydrophobicContact CG1-CB 4.49Å; I179-V187 HydrophobicContact CG1-CG2 4.08Å; G184-V187 PolarHBondContact O-N 3.47Å; V187-Y189 WeakPolarHBondContact CG1-O 3.31Å; V187-V190 HydrophobicContact CG1-CG2 3.95Å
188E96.9Very high94Very high113 Ų11350.5 Ų50.553%0.52828%0.276SS..EExtended strand (participates in β ladder)trans-83.2-48.4171-68.5-176.2166.800111.7K152 A154K152-E188 HydrophobicContact CB-CB 4.47Å; K152-E188 WeakPolarHBondContact CE-OE2 3.3Å; K152-E188 HydrophobicContact CG-CB 4.03Å; K152-E188 HydrophobicContact CG-CG 4.44Å; K152-E188 WeakPolarHBondContact CG-OE2 3.2Å; K152-E188 PolarHBondContact O-N 2.98Å; A154-E188 WeakPolarHBondContact CA-OE1 3.38Å; A154-E188 HydrophobicContact CB-CG 3.8Å
189Y97.3Very high94.1Very high105 Ų10550.6 Ų50.641%0.41228%0.277SS..EExtended strand (participates in β ladder)trans-151.3161.1178.768.3-104.2000112.8E118 K152 V187E118-Y189 WeakPolarHBondContact OE2-CE2 3.38Å; E118-Y189 PolarHBondContact OE2-OH 2.86Å; K152-Y189 HydrophobicContact CB-CD1 3.58Å; K152-Y189 HydrophobicContact CB-CD2 3.95Å; K152-Y189 HydrophobicContact CB-CE1 3.3Å; K152-Y189 HydrophobicContact CB-CE2 3.66Å; K152-Y189 HydrophobicContact CB-CG 3.9Å; K152-Y189 HydrophobicContact CD-CE1 4.31Å; K152-Y189 HydrophobicContact CG-CD1 3.86Å; K152-Y189 HydrophobicContact CG-CE1 3.43Å; K152-Y189 VanDerWaalsContact CG-CE1 3.43Å; K152-Y189 PolarHBondContact N-O 3.45Å; V187-Y189 WeakPolarHBondContact CG1-O 3.31Å
190V97.6Very high94.3Very high47 Ų4749.7 Ų49.729%0.28527%0.272SS..EExtended strand (participates in β ladder)trans-125.4131.1171.9-178.20000108.4T149 K150 V151 I179 V187 V197T149-V190 HydrophobicContact CG2-CG1 3.43Å; T149-V190 VanDerWaalsContact CG2-CG1 3.43Å; K150-V190 CarbonylContact O-C 3.56Å; K150-V190 WeakPolarHBondContact O-CA 3.44Å; V151-V190 HydrophobicContact CG2-CG1 4.44Å; V151-V190 HydrophobicContact CG2-CG2 4.35Å; I179-V190 HydrophobicContact CD1-CG2 3.22Å; V187-V190 HydrophobicContact CG1-CG2 3.95Å; V190-V197 HydrophobicContact CG1-CG2 4.04Å
191H97.3Very high94.8Very high136 Ų13645.9 Ų45.963%0.6326%0.255SS*.EExtended strand (participates in β ladder)trans-120.3100.3174.9-170.990.9000109.7K150K150-H191 HydrophobicContact CB-CB 4.26Å; K150-H191 PolarHBondContact N-O 3.17Å; K150-H191 PolarHBondContact O-N 2.84Å
192G95.6Very high95.1Very high56 Ų5643.7 Ų43.758%0.57724%0.235SC*.SBendtrans134.5-154.3-177.200000112.6F194G192-F194 PolarHBondContact O-N 3.3Å
193D94.8Very high95.2Very high33 Ų3343.9 Ų43.918%0.17624%0.237CC..  trans-77.1111.2-179.4-175.2-7.7000111.3E147 T149 L195 N196 V197 P201E147-D193 HydrophobicContact CG-CB 4.15Å; T149-D193 PolarHBondContact OG1-N 3.21Å; T149-D193 VanDerWaalsContact OG1-N 3.08Å; T149-D193 PolarHBondContact OG1-O 2.86Å; D193-L195 VanDerWaalsContact C-N 3.27Å; D193-L195 PolarHBondContact O-N 3.04Å; D193-L195 WeakPolarHBondContact OD1-CB 3.48Å; D193-L195 PolarHBondContact OD1-N 3.18Å; D193-N196 HydrophobicContact CB-CB 3.84Å; D193-N196 VanDerWaalsContact O-CB 3.24Å; D193-N196 WeakPolarHBondContact O-CB 3.37Å; D193-N196 PolarHBondContact O-N 2.8Å; D193-N196 VanDerWaalsContact O-N 3.12Å; D193-V197 PolarHBondContact O-N 2.74Å; D193-P201 WeakPolarHBondContact OD2-CA 3.42Å
194F96.6Very high95.4Very high98 Ų9845.9 Ų45.943%0.4325%0.246SC..Hα-helixtrans-56.7-38.9175.6177.4-95.1000112.9I179 G192 N196 V197 V198I179-F194 HydrophobicContact CB-CE2 4.45Å; I179-F194 HydrophobicContact CD1-CD2 4.21Å; I179-F194 HydrophobicContact CD1-CE2 3.82Å; I179-F194 HydrophobicContact CG1-CE2 3.96Å; I179-F194 HydrophobicContact CG2-CD2 4.42Å; I179-F194 HydrophobicContact CG2-CE2 3.7Å; I179-F194 HydrophobicContact CG2-CZ 3.92Å; G192-F194 PolarHBondContact O-N 3.3Å; F194-N196 VanDerWaalsContact C-N 3.27Å; F194-N196 PolarHBondContact O-N 3.1Å; F194-V197 WeakPolarHBondContact O-CB 3.39Å; F194-V197 PolarHBondContact O-N 2.83Å; F194-V197 VanDerWaalsContact O-N 3.14Å; F194-V198 HydrophobicContact CD1-CG2 4Å; F194-V198 HydrophobicContact CE1-CG2 3.55Å; F194-V198 HydrophobicContact CZ-CG2 3.95Å; F194-V198 WeakPolarHBondContact O-CG2 3.48Å; F194-V198 PolarHBondContact O-N 2.87Å; F194-V198 VanDerWaalsContact O-N 3.14Å
195L96.1Very high95.5Very high41 Ų4144.6 Ų44.622%0.21523%0.233CC..Hα-helixtrans-70.7-26.5-179.1-64.8178.3000111.9M1 I27 D193 V197 V198 G199 F200 L202M1-L195 HydrophobicContact CE-CD1 4.15Å; I27-L195 HydrophobicContact CD1-CD2 4.5Å; I27-L195 HydrophobicContact CG1-CD2 4.36Å; D193-L195 VanDerWaalsContact C-N 3.27Å; D193-L195 PolarHBondContact O-N 3.04Å; D193-L195 WeakPolarHBondContact OD1-CB 3.48Å; D193-L195 PolarHBondContact OD1-N 3.18Å; L195-V197 VanDerWaalsContact C-N 3.33Å; L195-V198 PolarHBondContact O-N 3.46Å; L195-G199 PolarHBondContact O-N 3.02Å; L195-F200 CarbonylContact C-O 3.57Å; L195-F200 WeakPolarHBondContact CB-O 3.43Å; L195-F200 CarbonylContact O-C 3.59Å; L195-F200 PolarHBondContact O-N 3.5Å; L195-L202 HydrophobicContact CD1-CB 3.7Å; L195-L202 HydrophobicContact CD1-CD2 3.88Å; L195-L202 HydrophobicContact CD1-CG 4.43Å
196N97.2Very high95.3Very high0 Ų041.3 Ų41.30%022%0.22CC..Hα-helixtrans-59.9-43.9169.2-179.643.4000111.2V121 T123 E147 T149 D193 F194 V198 G199 P201V121-N196 PolarHBondContact O-ND2 3.05Å; T123-N196 WeakPolarHBondContact CB-OD1 3.34Å; T123-N196 PolarHBondContact N-OD1 2.81Å; T123-N196 PolarHBondContact OG1-O 2.96Å; T123-N196 PolarHBondContact OG1-OD1 3.17Å; E147-N196 HydrophobicContact CB-CB 4.3Å; E147-N196 HydrophobicContact CG-CB 4Å; E147-N196 PolarHBondContact O-ND2 3.14Å; E147-N196 VanDerWaalsContact O-ND2 3.14Å; T149-N196 WeakPolarHBondContact CB-ND2 3.41Å; T149-N196 PolarHBondContact N-ND2 3.32Å; T149-N196 PolarHBondContact OG1-ND2 3.27Å; D193-N196 HydrophobicContact CB-CB 3.84Å; D193-N196 VanDerWaalsContact O-CB 3.24Å; D193-N196 WeakPolarHBondContact O-CB 3.37Å; D193-N196 PolarHBondContact O-N 2.8Å; D193-N196 VanDerWaalsContact O-N 3.12Å; F194-N196 VanDerWaalsContact C-N 3.27Å; F194-N196 PolarHBondContact O-N 3.1Å; N196-V198 VanDerWaalsContact C-N 3.33Å; N196-V198 PolarHBondContact O-N 3.25Å; N196-G199 WeakPolarHBondContact O-CA 3.23Å; N196-G199 PolarHBondContact O-N 2.94Å; N196-G199 VanDerWaalsContact O-N 3.07Å; N196-P201 HydrophobicContact CB-CB 4.11Å
197V96.6Very high94.9Very high15 Ų1546.7 Ų46.79%0.09124%0.243CC..Hα-helixtrans-63.9-38.6175.9-175.30000111.8V121 T149 V151 Y177 I179 V190 D193 F194 L195 G199V121-V197 HydrophobicContact CB-CG2 4.44Å; V121-V197 HydrophobicContact CG2-CG1 4.29Å; V121-V197 HydrophobicContact CG2-CG2 4.35Å; T149-V197 HydrophobicContact CG2-CG2 3.38Å; V151-V197 HydrophobicContact CG2-CG1 4.01Å; V151-V197 HydrophobicContact CG2-CG2 3.72Å; Y177-V197 HydrophobicContact CE2-CG1 4.25Å; I179-V197 HydrophobicContact CB-CG1 4.11Å; I179-V197 HydrophobicContact CD1-CG1 4.42Å; I179-V197 HydrophobicContact CG2-CB 4.18Å; I179-V197 HydrophobicContact CG2-CG1 3.64Å; V190-V197 HydrophobicContact CG1-CG2 4.04Å; D193-V197 PolarHBondContact O-N 2.74Å; F194-V197 WeakPolarHBondContact O-CB 3.39Å; F194-V197 PolarHBondContact O-N 2.83Å; F194-V197 VanDerWaalsContact O-N 3.14Å; L195-V197 VanDerWaalsContact C-N 3.33Å; V197-G199 PolarHBondContact O-N 3.19Å
198V95.4Very high94.6Very high14 Ų1447.3 Ų47.39%0.08524%0.244CC..Hα-helixtrans-67-27.6175.2-178.70000111.5R23 I27 I179 Q180 F194 L195 N196R23-V198 HydrophobicContact CB-CG1 4.25Å; R23-V198 VanDerWaalsContact CD-O 3.3Å; R23-V198 WeakPolarHBondContact CD-O 3.32Å; R23-V198 HydrophobicContact CG-CG1 4.44Å; I27-V198 HydrophobicContact CD1-CB 4.18Å; I27-V198 HydrophobicContact CD1-CG1 3.93Å; I179-V198 HydrophobicContact CG2-CG2 3.98Å; Q180-V198 HydrophobicContact CB-CG2 4.28Å; Q180-V198 HydrophobicContact CG-CG1 4.33Å; F194-V198 HydrophobicContact CD1-CG2 4Å; F194-V198 HydrophobicContact CE1-CG2 3.55Å; F194-V198 HydrophobicContact CZ-CG2 3.95Å; F194-V198 WeakPolarHBondContact O-CG2 3.48Å; F194-V198 PolarHBondContact O-N 2.87Å; F194-V198 VanDerWaalsContact O-N 3.14Å; L195-V198 PolarHBondContact O-N 3.46Å; N196-V198 VanDerWaalsContact C-N 3.33Å; N196-V198 PolarHBondContact O-N 3.25Å
199G93.8Very high94.2Very high4 Ų442 Ų424%0.04122%0.219CC..THydrogen-bonded Turntrans131.712.8168.100000115.9R24 T89 L195 N196 V197R24-G199 WeakPolarHBondContact CG-O 3.4Å; R24-G199 PolarHBondContact NE-O 3.33Å; T89-G199 PolarHBondContact OG1-O 2.97Å; L195-G199 PolarHBondContact O-N 3.02Å; N196-G199 WeakPolarHBondContact O-CA 3.23Å; N196-G199 PolarHBondContact O-N 2.94Å; N196-G199 VanDerWaalsContact O-N 3.07Å; V197-G199 PolarHBondContact O-N 3.19Å
200F97.1Very high93.5Very high0 Ų039.3 Ų39.30%021%0.212CC..  trans-155.7121.6171.2-162.4-92.7000113.1R24 I27 L28 I85 A87 V125 L195 L202 F205R24-F200 HydrophobicContact CG-CB 4.25Å; R24-F200 HydrophobicContact CG-CD2 4.41Å; I27-F200 HydrophobicContact CD1-CB 3.77Å; I27-F200 HydrophobicContact CG2-CB 4.22Å; I27-F200 HydrophobicContact CG2-CD1 4.26Å; L28-F200 HydrophobicContact CD1-CE2 4.48Å; L28-F200 HydrophobicContact CD1-CZ 4.36Å; L28-F200 HydrophobicContact CD2-CD1 4.07Å; L28-F200 HydrophobicContact CD2-CE1 3.61Å; L28-F200 HydrophobicContact CD2-CZ 4.02Å; L28-F200 HydrophobicContact CG-CD1 4.47Å; L28-F200 HydrophobicContact CG-CE1 4.33Å; I85-F200 HydrophobicContact CG2-CE2 4.1Å; I85-F200 HydrophobicContact CG2-CZ 4.14Å; A87-F200 HydrophobicContact CB-CD2 3.86Å; A87-F200 HydrophobicContact CB-CE2 3.92Å; V125-F200 HydrophobicContact CG1-CE2 3.97Å; V125-F200 HydrophobicContact CG1-CZ 3.99Å; V125-F200 HydrophobicContact CG2-CD2 4.36Å; V125-F200 HydrophobicContact CG2-CE2 3.95Å; V125-F200 HydrophobicContact CG2-CZ 4.32Å; L195-F200 CarbonylContact C-O 3.57Å; L195-F200 WeakPolarHBondContact CB-O 3.43Å; L195-F200 CarbonylContact O-C 3.59Å; L195-F200 PolarHBondContact O-N 3.5Å; F200-L202 VanDerWaalsContact C-N 3.31Å; F200-L202 HydrophobicContact CD1-CB 4.5Å; F200-L202 PolarHBondContact O-N 2.84Å; F200-F205 HydrophobicContact CE1-CB 3.57Å; F200-F205 AromaticContact CE1-CD1 3.87Å; F200-F205 HydrophobicContact CE1-CD1 3.87Å; F200-F205 HydrophobicContact CE1-CD2 4.04Å; F200-F205 AromaticContact CE1-CG 3.55Å; F200-F205 HydrophobicContact CE1-CG 3.55Å; F200-F205 HydrophobicContact CZ-CB 4.04Å; F200-F205 HydrophobicContact CZ-CD1 4.27Å; F200-F205 AromaticContact CZ-CD2 3.71Å; F200-F205 HydrophobicContact CZ-CD2 3.71Å; F200-F205 HydrophobicContact CZ-CE2 4.2Å; F200-F205 AromaticContact CZ-CG 3.74Å; F200-F205 HydrophobicContact CZ-CG 3.74Å
201P96.5Very high92.9Very high0 Ų041.9 Ų41.90%022%0.222CC..  trans-78.877.4-178.233-36.3000111.4T123 V125 F145 E147 D193 N196 N203 H204 F205T123-P201 HydrophobicContact CG2-CG 4.41Å; V125-P201 HydrophobicContact CG2-CG 3.68Å; F145-P201 HydrophobicContact CE2-CG 4.05Å; E147-P201 HydrophobicContact CB-CB 3.37Å; E147-P201 HydrophobicContact CB-CG 3.85Å; E147-P201 HydrophobicContact CG-CB 3.77Å; D193-P201 WeakPolarHBondContact OD2-CA 3.42Å; N196-P201 HydrophobicContact CB-CB 4.11Å; P201-N203 VanDerWaalsContact C-N 3.28Å; P201-N203 PolarHBondContact O-N 2.8Å; P201-H204 HydrophobicContact CB-CB 4.33Å; P201-H204 PolarHBondContact O-N 2.81Å; P201-F205 WeakPolarHBondContact O-CB 3.49Å; P201-F205 PolarHBondContact O-N 2.8Å
202L93.2Very high92.2Very high8 Ų836.7 Ų36.74%0.04220%0.198CC..Hα-helixtrans-59.3-38.5-171.8-179.163.3000111.9M1 I27 L28 A31 L195 F200 F205 C206M1-L202 HydrophobicContact CE-CD2 3.88Å; I27-L202 HydrophobicContact CG2-CB 3.96Å; I27-L202 HydrophobicContact CG2-CD1 4.33Å; I27-L202 HydrophobicContact CG2-CD2 4.13Å; I27-L202 HydrophobicContact CG2-CG 4.36Å; L28-L202 HydrophobicContact CD2-CD1 4.24Å; A31-L202 HydrophobicContact CB-CD1 3.82Å; A31-L202 HydrophobicContact CB-CD2 3.88Å; A31-L202 HydrophobicContact CB-CG 4.49Å; L195-L202 HydrophobicContact CD1-CB 3.7Å; L195-L202 HydrophobicContact CD1-CD2 3.88Å; L195-L202 HydrophobicContact CD1-CG 4.43Å; F200-L202 VanDerWaalsContact C-N 3.31Å; F200-L202 HydrophobicContact CD1-CB 4.5Å; F200-L202 PolarHBondContact O-N 2.84Å; L202-F205 HydrophobicContact CD1-CD1 4.34Å; L202-F205 PolarHBondContact O-N 3.21Å; L202-C206 PolarHBondContact O-N 2.99Å; L202-C206 PolarHBondContact O-SG 3.07Å
203N91Very high91.5Very high90 Ų9036.3 Ų36.348%0.48118%0.18SC..Hα-helixtrans-61.9-49.6-179.3-178.1-93.2000111.8P201 C206 K207P201-N203 VanDerWaalsContact C-N 3.28Å; P201-N203 PolarHBondContact O-N 2.8Å; N203-C206 WeakPolarHBondContact O-CB 3.33Å; N203-C206 PolarHBondContact O-N 3.33Å; N203-K207 PolarHBondContact O-N 2.92Å; N203-K207 VanDerWaalsContact O-N 3.14Å; N203-K207 WeakPolarHBondContact OD1-CE 3.37Å; N203-K207 PolarHBondContact OD1-NZ 2.77Å
204H93.3Very high90.4Very high42 Ų4237.7 Ų37.719%0.19419%0.187CC..Hα-helixtrans-64.5-42.4179.1-162.8159.9000110.8F145 Y146 E147 P201 C206 K207 Q208F145-H204 HydrophobicContact CD2-CB 4.18Å; F145-H204 AromaticContact CD2-CD2 3.59Å; F145-H204 AromaticContact CD2-CE1 3.64Å; F145-H204 AromaticContact CD2-CG 3.51Å; F145-H204 AromaticContact CD2-ND1 3.57Å; F145-H204 AromaticContact CD2-NE2 3.68Å; F145-H204 HydrophobicContact CE2-CB 3.8Å; F145-H204 AromaticContact CE2-CD2 3.89Å; F145-H204 AromaticContact CE2-CG 3.64Å; F145-H204 AromaticContact CG-NE2 3.94Å; Y146-H204 PolarHBondContact O-CE1 3.08Å; Y146-H204 PolarHBondContact O-ND1 3.4Å; E147-H204 WeakPolarHBondContact OE2-CB 3.43Å; E147-H204 IonicContact OE2-CE1 3.05Å; E147-H204 IonicContact OE2-CG 3.34Å; E147-H204 IonicContact OE2-ND1 3.14Å; E147-H204 PolarHBondContact OE2-ND1 3.02Å; P201-H204 HydrophobicContact CB-CB 4.33Å; P201-H204 PolarHBondContact O-N 2.81Å; H204-C206 VanDerWaalsContact C-N 3.34Å; H204-C206 PolarHBondContact O-N 3Å; H204-K207 WeakPolarHBondContact O-CB 3.06Å; H204-K207 PolarHBondContact O-N 2.86Å; H204-K207 VanDerWaalsContact O-N 3.11Å; H204-Q208 PolarHBondContact NE2-NE2 3.29Å; H204-Q208 WeakPolarHBondContact O-CG 3.32Å; H204-Q208 PolarHBondContact O-N 3.21Å
205F93.4Very high88.8Confident1 Ų139 Ų390%0.00419%0.194CC..Hα-helixtrans-56.4-44.4173.6177.7-104.7000113L28 L33 I85 V125 I127 F145 F200 P201 L202 K207 Q208 L209L28-F205 HydrophobicContact CD2-CD1 4.17Å; L28-F205 HydrophobicContact CD2-CE1 3.94Å; L33-F205 HydrophobicContact CD2-CE1 4.45Å; I85-F205 HydrophobicContact CD1-CE2 4.05Å; I85-F205 HydrophobicContact CD1-CZ 3.62Å; I85-F205 HydrophobicContact CG1-CE2 4.26Å; I85-F205 HydrophobicContact CG1-CZ 4.31Å; I85-F205 HydrophobicContact CG2-CE2 4.22Å; V125-F205 HydrophobicContact CG1-CD2 4.3Å; I127-F205 HydrophobicContact CD1-CD2 3.8Å; I127-F205 HydrophobicContact CD1-CE2 3.53Å; I127-F205 HydrophobicContact CG1-CD2 4.36Å; I127-F205 HydrophobicContact CG1-CE2 3.94Å; F145-F205 HydrophobicContact CZ-CB 3.91Å; F145-F205 HydrophobicContact CZ-CD2 4.2Å; F200-F205 HydrophobicContact CE1-CB 3.57Å; F200-F205 AromaticContact CE1-CD1 3.87Å; F200-F205 HydrophobicContact CE1-CD1 3.87Å; F200-F205 HydrophobicContact CE1-CD2 4.04Å; F200-F205 AromaticContact CE1-CG 3.55Å; F200-F205 HydrophobicContact CE1-CG 3.55Å; F200-F205 HydrophobicContact CZ-CB 4.04Å; F200-F205 HydrophobicContact CZ-CD1 4.27Å; F200-F205 AromaticContact CZ-CD2 3.71Å; F200-F205 HydrophobicContact CZ-CD2 3.71Å; F200-F205 HydrophobicContact CZ-CE2 4.2Å; F200-F205 AromaticContact CZ-CG 3.74Å; F200-F205 HydrophobicContact CZ-CG 3.74Å; P201-F205 WeakPolarHBondContact O-CB 3.49Å; P201-F205 PolarHBondContact O-N 2.8Å; L202-F205 HydrophobicContact CD1-CD1 4.34Å; L202-F205 PolarHBondContact O-N 3.21Å; F205-K207 VanDerWaalsContact C-N 3.33Å; F205-K207 PolarHBondContact O-N 3.38Å; F205-Q208 PolarHBondContact O-N 3.42Å; F205-L209 HydrophobicContact CD1-CD1 4.01Å; F205-L209 HydrophobicContact CE1-CD1 3.36Å; F205-L209 HydrophobicContact CE1-CG 4.11Å; F205-L209 HydrophobicContact CE2-CD1 4.31Å; F205-L209 HydrophobicContact CE2-CD2 4.48Å; F205-L209 HydrophobicContact CE2-CG 4.27Å; F205-L209 HydrophobicContact CZ-CD1 3.53Å; F205-L209 HydrophobicContact CZ-CD2 4.27Å; F205-L209 HydrophobicContact CZ-CG 3.96Å; F205-L209 WeakPolarHBondContact O-CG 3.46Å; F205-L209 PolarHBondContact O-N 3.15Å
206C89.1Confident86.6Confident37 Ų3741.8 Ų41.825%0.2522%0.217CC..Hα-helixtrans-60.5-42.4176.1-630000112L3 L202 N203 H204 L209 D210L3-C206 HydrophobicContact CD2-CB 4.04Å; L3-C206 WeakPolarHBondContact CD2-SG 3.42Å; L202-C206 PolarHBondContact O-N 2.99Å; L202-C206 PolarHBondContact O-SG 3.07Å; N203-C206 WeakPolarHBondContact O-CB 3.33Å; N203-C206 PolarHBondContact O-N 3.33Å; H204-C206 VanDerWaalsContact C-N 3.34Å; H204-C206 PolarHBondContact O-N 3Å; C206-L209 PolarHBondContact O-N 2.8Å; C206-D210 WeakPolarHBondContact O-CB 3.3Å; C206-D210 PolarHBondContact O-N 2.99Å
207K87.7Confident83.7Confident113 Ų11346.5 Ų46.549%0.49125%0.249SC..Hα-helixtrans-63.1-42.8178.5-71.9169.5173.4162.10111.6N203 H204 F205 D210 M211N203-K207 PolarHBondContact O-N 2.92Å; N203-K207 VanDerWaalsContact O-N 3.14Å; N203-K207 WeakPolarHBondContact OD1-CE 3.37Å; N203-K207 PolarHBondContact OD1-NZ 2.77Å; H204-K207 WeakPolarHBondContact O-CB 3.06Å; H204-K207 PolarHBondContact O-N 2.86Å; H204-K207 VanDerWaalsContact O-N 3.11Å; F205-K207 VanDerWaalsContact C-N 3.33Å; F205-K207 PolarHBondContact O-N 3.38Å; K207-D210 PolarHBondContact O-N 3.17Å; K207-M211 WeakPolarHBondContact O-CG 3.33Å; K207-M211 PolarHBondContact O-N 2.9Å
208Q90.7Very high80.8Confident40 Ų4054.8 Ų54.819%0.18729%0.285CS..Hα-helixtrans-63-45.7177.2-67-62.7-22.500111.2F145 H204 F205 D210 M211 M212F145-Q208 HydrophobicContact CD1-CB 4.47Å; F145-Q208 HydrophobicContact CD1-CG 3.65Å; F145-Q208 HydrophobicContact CE1-CB 4.18Å; F145-Q208 HydrophobicContact CE1-CG 3.73Å; F145-Q208 HydrophobicContact CG-CG 4.11Å; F145-Q208 HydrophobicContact CZ-CG 4.25Å; H204-Q208 PolarHBondContact NE2-NE2 3.29Å; H204-Q208 WeakPolarHBondContact O-CG 3.32Å; H204-Q208 PolarHBondContact O-N 3.21Å; F205-Q208 PolarHBondContact O-N 3.42Å; Q208-D210 VanDerWaalsContact C-N 3.32Å; Q208-D210 PolarHBondContact O-N 3.4Å; Q208-M211 PolarHBondContact O-N 2.83Å; Q208-M212 WeakPolarHBondContact O-CG 3.41Å; Q208-M212 PolarHBondContact O-N 3.17Å
209L87.3Confident77.9Confident2 Ų261.3 Ų61.31%0.0132%0.317CS..Hα-helixtrans-59.5-41.4174.9-74-175.1000112.6L3 V6 L10 I127 F205 C206 M212 Y213L3-L209 HydrophobicContact CD2-CD1 4.42Å; V6-L209 HydrophobicContact CB-CB 4.48Å; V6-L209 HydrophobicContact CG1-CB 4Å; V6-L209 HydrophobicContact CG2-CB 4.38Å; L10-L209 HydrophobicContact CD1-CD1 4.24Å; I127-L209 HydrophobicContact CD1-CD2 4.25Å; F205-L209 HydrophobicContact CD1-CD1 4.01Å; F205-L209 HydrophobicContact CE1-CD1 3.36Å; F205-L209 HydrophobicContact CE1-CG 4.11Å; F205-L209 HydrophobicContact CE2-CD1 4.31Å; F205-L209 HydrophobicContact CE2-CD2 4.48Å; F205-L209 HydrophobicContact CE2-CG 4.27Å; F205-L209 HydrophobicContact CZ-CD1 3.53Å; F205-L209 HydrophobicContact CZ-CD2 4.27Å; F205-L209 HydrophobicContact CZ-CG 3.96Å; F205-L209 WeakPolarHBondContact O-CG 3.46Å; F205-L209 PolarHBondContact O-N 3.15Å; C206-L209 PolarHBondContact O-N 2.8Å; L209-M212 HydrophobicContact CD2-SD 4.17Å; L209-M212 PolarHBondContact O-N 3.12Å; L209-Y213 HydrophobicContact CD2-CE2 4.27Å; L209-Y213 VanDerWaalsContact O-CD2 3.31Å; L209-Y213 WeakPolarHBondContact O-CD2 3.34Å; L209-Y213 PolarHBondContact O-N 3.41Å; L209-Y213 VanDerWaalsContact O-N 3.08Å
210D84.4Confident74.7Confident48 Ų4868.6 Ų68.626%0.25736%0.355SS..Hα-helixtrans-63.8-44.9177.2-170.358.4000111.8V6 C206 K207 Q208 M212 Y213 N214V6-D210 HydrophobicContact CG2-CB 4.19Å; C206-D210 WeakPolarHBondContact O-CB 3.3Å; C206-D210 PolarHBondContact O-N 2.99Å; K207-D210 PolarHBondContact O-N 3.17Å; Q208-D210 VanDerWaalsContact C-N 3.32Å; Q208-D210 PolarHBondContact O-N 3.4Å; D210-M212 VanDerWaalsContact C-N 3.33Å; D210-M212 PolarHBondContact O-N 3.3Å; D210-Y213 PolarHBondContact O-N 2.95Å; D210-N214 WeakPolarHBondContact O-CA 3.45Å; D210-N214 WeakPolarHBondContact O-CB 3.49Å; D210-N214 PolarHBondContact O-N 3Å; D210-N214 PolarHBondContact OD1-ND2 3.13Å
211M84.6Confident71.7Confident102 Ų10274.1 Ų74.150%0.50239%0.391SS..Hα-helixtrans-58-45174.6-71175.6179.400112K207 Q208 Y213 H215K207-M211 WeakPolarHBondContact O-CG 3.33Å; K207-M211 PolarHBondContact O-N 2.9Å; Q208-M211 PolarHBondContact O-N 2.83Å; M211-Y213 PolarHBondContact O-N 3.07Å; M211-H215 WeakPolarHBondContact O-CB 3.32Å; M211-H215 PolarHBondContact O-N 3.27Å
212M82.7Confident68.6Low26 Ų2682.5 Ų82.513%0.12843%0.431CS..Hα-helixtrans-61.8-44.3179.4-68.6164.867.100112.9I127 L129 I143 Q208 L209 D210 C216I127-M212 HydrophobicContact CD1-SD 4.27Å; I127-M212 HydrophobicContact CG2-CE 4.23Å; L129-M212 HydrophobicContact CD1-CE 3.65Å; L129-M212 HydrophobicContact CD2-CE 3.75Å; L129-M212 HydrophobicContact CG-CE 3.89Å; I143-M212 HydrophobicContact CD1-CE 3.5Å; I143-M212 VanDerWaalsContact CD1-CE 3.5Å; I143-M212 HydrophobicContact CD1-CG 3.52Å; I143-M212 HydrophobicContact CD1-SD 3.43Å; I143-M212 WeakPolarHBondContact CD1-SD 3.42Å; Q208-M212 WeakPolarHBondContact O-CG 3.41Å; Q208-M212 PolarHBondContact O-N 3.17Å; L209-M212 HydrophobicContact CD2-SD 4.17Å; L209-M212 PolarHBondContact O-N 3.12Å; D210-M212 VanDerWaalsContact C-N 3.33Å; D210-M212 PolarHBondContact O-N 3.3Å; M212-C216 WeakPolarHBondContact O-CB 3.5Å
213Y79.5Confident65.7Low48 Ų4891.9 Ų91.919%0.18847%0.471CS..Hα-helixtrans-98.2-23.6-169.3-75.7-72000114.8V6 K9 L10 K13 I83 L209 D210 M211V6-Y213 HydrophobicContact CG1-CD2 3.61Å; V6-Y213 HydrophobicContact CG1-CE2 4.35Å; V6-Y213 HydrophobicContact CG1-CG 4.17Å; K9-Y213 HydrophobicContact CB-CD1 3.9Å; K9-Y213 HydrophobicContact CB-CE1 4.39Å; K9-Y213 HydrophobicContact CB-CG 4Å; K9-Y213 HydrophobicContact CG-CD1 4.47Å; K9-Y213 HydrophobicContact CG-CG 4.41Å; L10-Y213 HydrophobicContact CD2-CE2 3.74Å; K13-Y213 PolarHBondContact NZ-OH 2.92Å; I83-Y213 VanDerWaalsContact CD1-OH 3.31Å; I83-Y213 WeakPolarHBondContact CD1-OH 3.45Å; L209-Y213 HydrophobicContact CD2-CE2 4.27Å; L209-Y213 VanDerWaalsContact O-CD2 3.31Å; L209-Y213 WeakPolarHBondContact O-CD2 3.34Å; L209-Y213 PolarHBondContact O-N 3.41Å; L209-Y213 VanDerWaalsContact O-N 3.08Å; D210-Y213 PolarHBondContact O-N 2.95Å; M211-Y213 PolarHBondContact O-N 3.07Å
214N72.7Confident62.6Low63 Ų6394.6 Ų94.634%0.33749%0.491SS..Hα-helixtrans-114.9-18.2-175.5-65.3-34.6000113.5D210D210-N214 WeakPolarHBondContact O-CA 3.45Å; D210-N214 WeakPolarHBondContact O-CB 3.49Å; D210-N214 PolarHBondContact O-N 3Å; D210-N214 PolarHBondContact OD1-ND2 3.13Å
215H62.8Low59.5Low124 Ų124101.6 Ų101.657%0.57452%0.524SS*.SBendtrans-110.7-5-179.4-71.4-62.1000115.3M211 S217M211-H215 WeakPolarHBondContact O-CB 3.32Å; M211-H215 PolarHBondContact O-N 3.27Å; H215-S217 PolarHBondContact O-N 3.48Å; H215-S217 VanDerWaalsContact O-N 3.17Å
216C48.8Very low56.4Low101 Ų101106.5 Ų106.568%0.68256%0.558SS**THydrogen-bonded Turntrans-74.77.8174.1-85.40000115.6M212 F218M212-C216 WeakPolarHBondContact O-CB 3.5Å; C216-F218 VanDerWaalsContact C-N 3.34Å
217S37.2Very low53.3Low99 Ų99111.4 Ų111.469%0.69259%0.586SS**THydrogen-bonded Turntrans-85.53.2173-52.50000114.6H215H215-S217 PolarHBondContact O-N 3.48Å; H215-S217 VanDerWaalsContact O-N 3.17Å
218F35.8Very low50.3Low189 Ų189117 Ų11783%0.82961%0.606SS**SBendtrans-136.653.1-177.7-75.3-80.1000113.9C216C216-F218 VanDerWaalsContact C-N 3.34Å
219I33.5Very low47.1Very low150 Ų150122.2 Ų122.277%0.76964%0.635SS**  trans-139.696.5157.1-54.2-179.8000108.6
220N27.7Very low44.2Very low158 Ų158125.9 Ų125.985%0.84566%0.661SS**  trans-77.6127.9158.9-108.4-9.6000107.5E222N220-E222 VanDerWaalsContact C-N 3.35Å; N220-E222 PolarHBondContact O-N 3.45Å; N220-E222 VanDerWaalsContact O-N 3.08Å
221P33.4Very low41.6Very low116 Ų116132.2 Ų132.275%0.75369%0.689SS**  trans-86.774-178.334.9-32.4000110.3
222E31.8Very low38.8Very low176 Ų176133.1 Ų133.182%0.82271%0.705SS**  trans-142.3124.2159.9-74.9-165.4169.600110.1N220N220-E222 VanDerWaalsContact C-N 3.35Å; N220-E222 PolarHBondContact O-N 3.45Å; N220-E222 VanDerWaalsContact O-N 3.08Å
223K31.7Very low36Very low204 Ų204138.4 Ų138.489%0.88774%0.739SS**  trans89.879.3176.7-56-178.4179.6179.90116.7
224T27.3Very low34.2Very low147 Ų147141.4 Ų141.490%0.90276%0.764SS**  trans-126.798.6141.934.30000108.2
225E27.6Very low31.8Very low190 Ų190146.3 Ų146.389%0.88879%0.789SS**  trans-93.5130.7155-89.1-175162.400109.1
226S27.7Very low30Very low103 Ų103148 Ų14872%0.7280%0.801SS**  trans-5.4136.2162.357.20000119.4
227V24.5Very low28.8Very low140 Ų140150.2 Ų150.285%0.84881%0.805SS**  -153.8119109.5177.40000109
228Y24.1Very low28.2Very low232 Ų232154.1 Ų154.191%0.9181%0.812SS**  trans-83.2133.8154.2-90.8-92.5000107.6
229D24.2Very low27.6Very low149 Ų149154.6 Ų154.680%0.79782%0.817SS**  trans-158143.8136-134.3-19.6000116
230S26.8Very low27.2Very low79 Ų79156.4 Ų156.455%0.55282%0.819SS**  trans-8.5147.7167.748.40000126.8
231H28.6Very low27.1Very low181 Ų181155 Ų15584%0.83881%0.812SS**  trans49.9120.2135.9-63.4-60.5000121.4
232S25.6Very low26.6Very low120 Ų120156.3 Ų156.384%0.83982%0.818SS**  162.5139.9105.1-68.10000112.6
233T24.4Very low26.3Very low137 Ų137152.5 Ų152.584%0.8481%0.811SS**  trans-85.2-176.2-179.7-140000112.2
234P41.4Very low25.9Very low111 Ų111149 Ų14972%0.72181%0.806SS**  -115.9164.8-11340.8-24.5000114.5
235I23.2Very low25.8Very low166 Ų166146.3 Ų146.385%0.85179%0.793SS**  trans-141.9128.3165.3-60.3-177.3000112
236L25.4Very low25.6Very low160 Ų160144.9 Ų144.984%0.83879%0.79SS**  trans-63156.5169.7-75.6141.8000113.2
237I23.4Very low25.8Very low148 Ų148145.6 Ų145.676%0.75979%0.793SS**  trans-176.6104.4144.6-89.2143.7000106.3
238E23.3Very low25.9Very low181 Ų181148.3 Ų148.385%0.84679%0.793SS**  65112.399.9-88.8-174.3171.300115
239Q24.7Very low26.1Very low199 Ų199143.6 Ų143.693%0.9379%0.791SS**  trans-110.4117.5164-81.3-169.7-28.200110.3
240K25Very low26.1Very low188 Ų188141.5 Ų141.582%0.81779%0.788SS**  trans-157150.7154.2-91-172.8173.1-179.80104.9
241D24.9Very low26.2Very low128 Ų128143 Ų14368%0.68480%0.798SS**  cis-166154.7-4-108.7-37.9000103.1
242T24.2Very low26.3Very low143 Ų143140.7 Ų140.788%0.87780%0.8SS**  180119.1129.127.30000113.4
243S24.3Very low26.3Very low97 Ų97140.5 Ų140.568%0.67880%0.798SS**  trans-58.5152.3162.750.10000114.2
244T23.9Very low26.4Very low129 Ų129139 Ų13979%0.79180%0.8SS**  162.3166.999.4360000108.1
245S23.9Very low25.7Very low91 Ų91139.3 Ų139.364%0.63680%0.804SS**  -168.5132.6-56.449.40000108.4
246I25.2Very low26.2Very low160 Ų160136.5 Ų136.582%0.82180%0.797SS**  trans73.1152.4144.6-62.3170.4000117.2
247P30.6Very low26.2Very low119 Ų119135.8 Ų135.877%0.77379%0.793SS**  cis-138.4172.621.118.110.5000120.5
248K27.7Very low26.3Very low197 Ų197135.2 Ų135.286%0.85779%0.787SS**  trans-66.5165.2161.6-72.8176.6168.3175.50113
249P27.6Very low26.3Very low132 Ų132134.9 Ų134.986%0.85778%0.783SS**  -152.2175.292.135.2-13.3000116.5
250S25.1Very low26.3Very low106 Ų106131.6 Ų131.674%0.74178%0.776SS**  trans-88.5148.2-175.746.20000116
251S28.4Very low26.1Very low110 Ų110131.6 Ų131.677%0.76978%0.776SS**  trans31.6142.9151.861.50000122.6
252P29.6Very low26.1Very low133 Ų133133.5 Ų133.586%0.86478%0.778SS**  -145.5167.7111.236.7-20.3000116
253S27Very low26Very low116 Ų116133.7 Ų133.781%0.81177%0.767SS**  trans-93.6147.8174.559.20000113.9
254A25.2Very low26Very low105 Ų105133.6 Ų133.687%0.86876%0.758SS**  trans178.1138.4139.600000112.7
255S26.3Very low26Very low117 Ų117136 Ų13682%0.81875%0.753SS**  trans-80.8179.2174.7-36.50000112.7
256P34.8Very low26Very low108 Ų108138.3 Ų138.370%0.70175%0.754SS**  -160.517266.242.7-19.9000120.2
257L24.2Very low25.9Very low145 Ų145135.4 Ų135.476%0.75975%0.748SS**  trans61.3135.3147.3-68.5153.4000119.9
258H26.2Very low25.6Very low136 Ų136138.8 Ų138.863%0.6375%0.753SS**  -172.8141.958.9-118.3-39.3000113.4
259K23.7Very low25.4Very low174 Ų174132.7 Ų132.776%0.75774%0.74SS**  trans54.7131.3134.8-81.5173.6-178.9169.40119.1
260V24.3Very low25.2Very low129 Ų129133.1 Ų133.178%0.78274%0.735SS**  -171.8119.953.9170.20000104.8
261K21.4Very low25.1Very low188 Ų188134 Ų13482%0.81773%0.73SS**  52.1111.465.5-135-175.8-165.2178.30117.4
262K24.1Very low24.9Very low168 Ų168135.5 Ų135.573%0.7373%0.729SS**  trans128.4114.6141.6-78.9-171.7154.6-179.80111.7
263K23.5Very low24.6Very low148 Ų148133.3 Ų133.364%0.64372%0.717SS**  109.7149.882.7-93.7-173.5140.4-135.20106.1
264D24Very low24.4Very low94 Ų94135.5 Ų135.550%0.50372%0.719SS.*  cis-161.9134.614.4-111-23000103.6
265R22.9Very low24.3Very low179 Ų179135.1 Ų135.168%0.67571%0.71SS**  74.6116104.5-77.1-173.2145.2179.71.7114.9
266E23.4Very low24.2Very low141 Ų141138.5 Ų138.566%0.65971%0.71SS**  82.9121.9106.4-70.2165.6-173.300109.5
267S24.5Very low23.6Very low99 Ų99141.6 Ų141.669%0.69272%0.715SS**  178134.36831.50000105.7
268E24.1Very low23.6Very low189 Ų189142.5 Ų142.588%0.88372%0.721SS**  55.9136.6104-62.4-175161.800113.6
269A23.6Very low23.8Very low69 Ų69140.6 Ų140.657%0.5773%0.728SS**  cis-175.4173.7-2.800000106.1
270N22.6Very low23.8Very low142 Ų142135.7 Ų135.776%0.75973%0.728SS**  trans75.2143.8145.9-69.1-17000117.6
271I23.4Very low23.7Very low124 Ų124137.5 Ų137.564%0.63673%0.728SS**  cis-175.6165.9-1.3-109163.6000104.7
272N23.8Very low23.9Very low142 Ų142136.1 Ų136.176%0.75973%0.727SS**  trans10399.8164.2-65.7-28.8000114.6
273S22.7Very low23.8Very low87 Ų87136 Ų13661%0.60873%0.727SS**  78.6130.555.881.20000114.5
274L23.1Very low23.9Very low161 Ų161136.1 Ų136.184%0.84373%0.734SS**  trans78.3135.8163.9-59.2151.9000114.4
275S22.9Very low24.1Very low98 Ų98139.5 Ų139.569%0.68575%0.746SS**  cis-174145.61.9430000108.6
276K24.2Very low24.2Very low188 Ų188136.9 Ų136.982%0.81775%0.745SS**  trans35.4132.7142.9-72.9-177.5177178.90121.7
277Q23.6Very low24.7Very low172 Ų172135.9 Ų135.980%0.80475%0.754SS**  trans71.1107.8145-70.3174.2-55.400116.7
278D24.1Very low25.1Very low164 Ų164138 Ų13888%0.87775%0.753SS**  -155.4146.999.8-115.1-25000112.2G280D278-G280 PolarHBondContact O-N 2.9Å; D278-G280 VanDerWaalsContact O-N 3.12Å
279A29.8Very low25.6Very low96 Ų96135.3 Ų135.379%0.79375%0.75SS**  trans-65.9104.3176.600000109.3E281A279-E281 PolarHBondContact O-N 3.37Å; A279-E281 VanDerWaalsContact O-N 3.16Å
280G22.8Very low25.9Very low72 Ų72136.6 Ų136.674%0.74276%0.76SS**  trans-75.299.9171.600000110.2D278 I282D278-G280 PolarHBondContact O-N 2.9Å; D278-G280 VanDerWaalsContact O-N 3.12Å; G280-I282 PolarHBondContact O-N 3.06Å
281E23.3Very low26.8Very low167 Ų167136 Ų13678%0.7876%0.756SS**  trans-41.8118161.3-72.5176.6141.500110.1A279 K283A279-E281 PolarHBondContact O-N 3.37Å; A279-E281 VanDerWaalsContact O-N 3.16Å; E281-K283 VanDerWaalsContact C-N 3.27Å; E281-K283 PolarHBondContact O-N 2.91Å
282I24.9Very low27.5Very low159 Ų159137.3 Ų137.382%0.81576%0.764SS**  trans-69.196.2163.6-62.6174000105.5G280 L284G280-I282 PolarHBondContact O-N 3.06Å; I282-L284 VanDerWaalsContact C-N 3.33Å; I282-L284 PolarHBondContact O-N 3.45Å
283K23.2Very low27.9Very low165 Ų165142 Ų14272%0.71777%0.771SS**  trans-61.499.8163.6-79.9179.8177175.70107.2E281 H285E281-K283 VanDerWaalsContact C-N 3.27Å; E281-K283 PolarHBondContact O-N 2.91Å; K283-H285 PolarHBondContact O-N 3.46Å
284L25.3Very low28.6Very low150 Ų150143.1 Ų143.179%0.78578%0.778SS**  trans-5798.1150.4-106.190.5000105.7I282 N286I282-L284 VanDerWaalsContact C-N 3.33Å; I282-L284 PolarHBondContact O-N 3.45Å; L284-N286 PolarHBondContact O-N 3.41Å
285H27.3Very low29.3Very low166 Ų166145.2 Ų145.277%0.76978%0.775SS**  trans-66.7107.5164.2-112.3-48.1000106.2K283 S287K283-H285 PolarHBondContact O-N 3.46Å; H285-S287 PolarHBondContact O-N 3.45Å
286N26.1Very low30Very low123 Ų123149.6 Ų149.666%0.65879%0.785SS**  trans-46.8110.3156.8-79.8-11.3000107L284 E288L284-N286 PolarHBondContact O-N 3.41Å; N286-E288 PolarHBondContact O-N 3.2Å
287S33.1Very low30.9Very low121 Ų121144.6 Ų144.685%0.84679%0.786SS**THydrogen-bonded Turntrans-76.641.2178.275.90000111.4H285H285-S287 PolarHBondContact O-N 3.45Å
288E32.9Very low31.7Very low143 Ų143140 Ų14067%0.66878%0.778SS**THydrogen-bonded Turntrans-118.713.2179.2-87.6-170.1160.600112.8N286N286-E288 PolarHBondContact O-N 3.2Å
289T34.8Very low32.7Very low132 Ų132139.7 Ų139.781%0.8178%0.781SS**SBendtrans-150.619.4178.94.40000117.2
290A29.7Very low33.7Very low96 Ų96138.5 Ų138.579%0.79376%0.761SS**  trans-112.638.6177.700000113.4
291I42.8Very low35.1Very low130 Ų130141.1 Ų141.167%0.66776%0.758SS**SBendtrans-135.7116.6169.2-55.7-179.7000108.2
292L37.5Very low36.6Very low152 Ų152141.5 Ų141.580%0.79676%0.759SS**  trans70.476.9171-63.6156.6000116.9
293R31.2Very low38.4Very low241 Ų241137.9 Ų137.991%0.90975%0.748SS**  trans-82.4122.9141.7-77.9-171.8179-173.90.2108.4R295R293-R295 PolarHBondContact O-N 3.18Å; R293-R295 VanDerWaalsContact O-N 3.15Å
294S38.2Very low40.6Very low110 Ų110137.9 Ų137.977%0.76975%0.751SS**  trans-44.9112.3170.131.60000111.3
295R37.5Very low42.8Very low204 Ų204136.7 Ų136.777%0.7775%0.752SS**  trans-98.283.3159.1-81.1-174.7169.5179.8-1.7107.5R293R293-R295 PolarHBondContact O-N 3.18Å; R293-R295 VanDerWaalsContact O-N 3.15Å
296E37.7Very low45.5Very low191 Ų191133.4 Ų133.489%0.89374%0.737SS**  trans-72.3126.9158.7-77.3-177.215600108.4
297G43.1Very low48Very low82 Ų82135.2 Ų135.285%0.84574%0.739SS**SBendtrans85.757.4159.400000117.2
298A39.6Very low50.4Low76 Ų76131.5 Ų131.563%0.62872%0.72SS**  trans-145.3127.8152.100000109.3I300A298-I300 PolarHBondContact O-N 2.92Å
299V45.5Very low53Low157 Ų157129.1 Ų129.195%0.95271%0.712SS**  trans-66.8102.4168.5178.60000106.3
300I51.7Low55.6Low72 Ų72127.5 Ų127.537%0.36970%0.698SS.*  trans-85.4118.7178.2-58.8176.1000107.1A298 H302A298-I300 PolarHBondContact O-N 2.92Å; I300-H302 PolarHBondContact O-N 2.84Å
301D50.8Low58.4Low126 Ų126127.8 Ų127.867%0.67468%0.682SS**  trans-64.2116.9167.2-177.217.5000108.9S303D301-S303 VanDerWaalsContact CG-OG 3.31Å; D301-S303 PolarHBondContact O-N 3.11Å; D301-S303 PolarHBondContact OD1-OG 2.79Å; D301-S303 PolarHBondContact OD2-OG 2.91Å
302H56.5Low60.8Low175 Ų175125.5 Ų125.581%0.8167%0.671SS**  trans-84.818.5-173.8-74.3-67.1000113.6I300I300-H302 PolarHBondContact O-N 2.84Å
303S62.3Low63.4Low84 Ų84122.6 Ų122.659%0.58766%0.656SS**SBendtrans-83.8-24.3-168.162.30000115.2D301D301-S303 VanDerWaalsContact CG-OG 3.31Å; D301-S303 PolarHBondContact O-N 3.11Å; D301-S303 PolarHBondContact OD1-OG 2.79Å; D301-S303 PolarHBondContact OD2-OG 2.91Å
304E69.6Low66.3Low164 Ų164117.4 Ų117.477%0.76664%0.637SS**SBendtrans-123.3133.4179-73.7-17116500113.4Q306E304-Q306 PolarHBondContact O-N 2.68Å
305P72Confident68.9Low125 Ų125118.8 Ų118.881%0.81263%0.631SS**  trans-67.1127.6178.824.8-30.5000111.5
306Q82.2Confident71.6Confident97 Ų97115 Ų11545%0.45363%0.626SS.*  trans-73.6135.4177.9-59.6-173.710.500110.3E304 G308 D309 L310E304-Q306 PolarHBondContact O-N 2.68Å; Q306-G308 PolarHBondContact O-N 2.93Å; Q306-D309 PolarHBondContact O-N 2.85Å; Q306-L310 PolarHBondContact O-N 2.91Å
307K79.1Confident74.2Confident161 Ų161111.3 Ų111.370%0.761%0.61SS**Hα-helixtrans-54-38.9-179.2-175.2178.5173.6-173.10113.1L310 E311K307-L310 PolarHBondContact O-N 3.05Å; K307-E311 WeakPolarHBondContact CE-OE1 3.32Å; K307-E311 WeakPolarHBondContact O-CG 3.42Å; K307-E311 PolarHBondContact O-N 3.5Å; K307-E311 VanDerWaalsContact O-N 3.11Å
308G83.8Confident76.6Confident43 Ų43110.6 Ų110.644%0.44359%0.587SS.*Hα-helixtrans-67.8-33.3179.100000113.9Q306 L310 E311 L312Q306-G308 PolarHBondContact O-N 2.93Å; G308-L310 VanDerWaalsContact C-N 3.34Å; G308-E311 PolarHBondContact O-N 2.91Å; G308-L312 PolarHBondContact O-N 3.3Å; G308-L312 VanDerWaalsContact O-N 3.12Å
309D87.6Confident79.3Confident93 Ų93108.3 Ų108.350%0.49757%0.571SS.*Hα-helixtrans-68.2-38.8176.4-63.6-24000110.6Q306 L312 I313Q306-D309 PolarHBondContact O-N 2.85Å; D309-L312 PolarHBondContact O-N 3.21Å; D309-I313 WeakPolarHBondContact O-CG1 3.34Å; D309-I313 PolarHBondContact O-N 3.44Å; D309-I313 VanDerWaalsContact O-N 3.15Å
310L88.6Confident81.7Confident99 Ų99106.2 Ų106.252%0.51855%0.549SS..Hα-helixtrans-65.5-45.1177-172.163.3000111.6Q306 K307 G308 L312 I313 Y314Q306-L310 PolarHBondContact O-N 2.91Å; K307-L310 PolarHBondContact O-N 3.05Å; G308-L310 VanDerWaalsContact C-N 3.34Å; L310-L312 VanDerWaalsContact C-N 3.33Å; L310-L312 PolarHBondContact O-N 3.41Å; L310-I313 PolarHBondContact O-N 3.15Å; L310-Y314 HydrophobicContact CD1-CD2 3.95Å; L310-Y314 HydrophobicContact CD1-CE2 3.61Å; L310-Y314 HydrophobicContact CD2-CE2 4.33Å; L310-Y314 HydrophobicContact CG-CD2 3.88Å; L310-Y314 HydrophobicContact CG-CE2 3.8Å; L310-Y314 VanDerWaalsContact O-CD2 3.32Å; L310-Y314 WeakPolarHBondContact O-CD2 3.31Å; L310-Y314 PolarHBondContact O-N 2.73Å
311E90.2Very high83.8Confident101 Ų101108.1 Ų108.147%0.47255%0.554SS.*Hα-helixtrans-57.4-45.9176.6-74.8171.4-179.800111.2K307 G308 I313 Y314 E315K307-E311 WeakPolarHBondContact CE-OE1 3.32Å; K307-E311 WeakPolarHBondContact O-CG 3.42Å; K307-E311 PolarHBondContact O-N 3.5Å; K307-E311 VanDerWaalsContact O-N 3.11Å; G308-E311 PolarHBondContact O-N 2.91Å; E311-I313 PolarHBondContact O-N 3.48Å; E311-Y314 PolarHBondContact O-N 2.74Å; E311-E315 WeakPolarHBondContact O-CG 3.42Å; E311-E315 PolarHBondContact O-N 3.3Å
312L91.6Very high86.1Confident82 Ų82103.8 Ų103.843%0.42954%0.536SS..Hα-helixtrans-58.7-46176.6175.862.3000112.7G308 D309 L310 Y314 E315 L316G308-L312 PolarHBondContact O-N 3.3Å; G308-L312 VanDerWaalsContact O-N 3.12Å; D309-L312 PolarHBondContact O-N 3.21Å; L310-L312 VanDerWaalsContact C-N 3.33Å; L310-L312 PolarHBondContact O-N 3.41Å; L312-Y314 VanDerWaalsContact C-N 3.34Å; L312-Y314 PolarHBondContact O-N 2.92Å; L312-E315 PolarHBondContact O-N 3.1Å; L312-L316 HydrophobicContact CD1-CD1 4.4Å; L312-L316 HydrophobicContact CD1-CG 4.47Å; L312-L316 HydrophobicContact CG-CD1 4.43Å; L312-L316 WeakPolarHBondContact O-CG 3.48Å; L312-L316 PolarHBondContact O-N 3.38Å
313I92.8Very high88Confident92 Ų9297.9 Ų97.947%0.47251%0.514SS..Hα-helixtrans-64.1-41179.9-65.6-61.5000111D309 L310 E311 L316 M317D309-I313 WeakPolarHBondContact O-CG1 3.34Å; D309-I313 PolarHBondContact O-N 3.44Å; D309-I313 VanDerWaalsContact O-N 3.15Å; L310-I313 PolarHBondContact O-N 3.15Å; E311-I313 PolarHBondContact O-N 3.48Å; I313-L316 PolarHBondContact O-N 3.03Å; I313-M317 HydrophobicContact CG2-CG 4.36Å; I313-M317 HydrophobicContact CG2-SD 4.01Å; I313-M317 WeakPolarHBondContact O-CB 3.16Å; I313-M317 VanDerWaalsContact O-CG 3.31Å; I313-M317 WeakPolarHBondContact O-CG 3.45Å; I313-M317 PolarHBondContact O-N 3.5Å
314Y91.5Very high89.7Confident131 Ų13197.1 Ų97.151%0.51450%0.5SS..Hα-helixtrans-65-41.8175.8-87.5-72.7000112.5L310 E311 L312 L316 M317 D318L310-Y314 HydrophobicContact CD1-CD2 3.95Å; L310-Y314 HydrophobicContact CD1-CE2 3.61Å; L310-Y314 HydrophobicContact CD2-CE2 4.33Å; L310-Y314 HydrophobicContact CG-CD2 3.88Å; L310-Y314 HydrophobicContact CG-CE2 3.8Å; L310-Y314 VanDerWaalsContact O-CD2 3.32Å; L310-Y314 WeakPolarHBondContact O-CD2 3.31Å; L310-Y314 PolarHBondContact O-N 2.73Å; E311-Y314 PolarHBondContact O-N 2.74Å; L312-Y314 VanDerWaalsContact C-N 3.34Å; L312-Y314 PolarHBondContact O-N 2.92Å; Y314-L316 VanDerWaalsContact C-N 3.29Å; Y314-L316 PolarHBondContact O-N 3.29Å; Y314-M317 PolarHBondContact O-N 3.17Å; Y314-D318 WeakPolarHBondContact O-CB 3.38Å; Y314-D318 PolarHBondContact O-N 2.82Å
315E93.1Very high91.1Very high140 Ų14090 Ų9065%0.65447%0.47SS*.Hα-helixtrans-58.7-41.2175.4-75.6-178.5176.200111.8E311 L312 G319E311-E315 WeakPolarHBondContact O-CG 3.42Å; E311-E315 PolarHBondContact O-N 3.3Å; L312-E315 PolarHBondContact O-N 3.1Å; E315-G319 WeakPolarHBondContact O-CA 3.47Å; E315-G319 PolarHBondContact O-N 3.29Å
316L93.6Very high92.3Very high124 Ų12486 Ų8665%0.64944%0.441SS*.Hα-helixtrans-68.2-43.4175.5-69.1173.6000112.3L312 I313 Y314 D318 G319L312-L316 HydrophobicContact CD1-CD1 4.4Å; L312-L316 HydrophobicContact CD1-CG 4.47Å; L312-L316 HydrophobicContact CG-CD1 4.43Å; L312-L316 WeakPolarHBondContact O-CG 3.48Å; L312-L316 PolarHBondContact O-N 3.38Å; I313-L316 PolarHBondContact O-N 3.03Å; Y314-L316 VanDerWaalsContact C-N 3.29Å; Y314-L316 PolarHBondContact O-N 3.29Å; L316-D318 VanDerWaalsContact C-N 3.27Å; L316-D318 PolarHBondContact O-N 3.13Å; L316-G319 PolarHBondContact O-N 2.98Å
317M93.9Very high93.1Very high113 Ų11382.4 Ų82.456%0.55742%0.424SS*.Hα-helixtrans-62.2-35.3177.4-76-179.66400112.2I313 Y314 F320I313-M317 HydrophobicContact CG2-CG 4.36Å; I313-M317 HydrophobicContact CG2-SD 4.01Å; I313-M317 WeakPolarHBondContact O-CB 3.16Å; I313-M317 VanDerWaalsContact O-CG 3.31Å; I313-M317 WeakPolarHBondContact O-CG 3.45Å; I313-M317 PolarHBondContact O-N 3.5Å; Y314-M317 PolarHBondContact O-N 3.17Å; M317-F320 WeakPolarHBondContact O-CD1 3.19Å; M317-F320 WeakPolarHBondContact O-CE1 3.47Å
318D93.7Very high94Very high68 Ų6876.9 Ų76.936%0.36440%0.404SS..Hα-helixtrans-95.3-13.1-177.6-73.2-16.2000113.6Y314 L316 F320 K321 A322Y314-D318 WeakPolarHBondContact O-CB 3.38Å; Y314-D318 PolarHBondContact O-N 2.82Å; L316-D318 VanDerWaalsContact C-N 3.27Å; L316-D318 PolarHBondContact O-N 3.13Å; D318-F320 PolarHBondContact O-N 3.32Å; D318-F320 VanDerWaalsContact O-N 3.13Å; D318-K321 HydrophobicContact CB-CD 4.31Å; D318-K321 WeakPolarHBondContact O-CA 3.24Å; D318-K321 VanDerWaalsContact O-CB 3.22Å; D318-K321 WeakPolarHBondContact O-CB 3.45Å; D318-K321 PolarHBondContact O-N 3.44Å; D318-K321 WeakPolarHBondContact OD1-CE 3.49Å; D318-K321 IonicContact OD1-NZ 2.82Å; D318-K321 PolarHBondContact OD1-NZ 3.25Å; D318-A322 PolarHBondContact O-N 3.5Å
319G95.5Very high94.7Very high28 Ų2874.9 Ų74.929%0.28938%0.383SS..Hα-helixtrans-57.6-31-176.500000114.6E315 L316 K321 A322 S323E315-G319 WeakPolarHBondContact O-CA 3.47Å; E315-G319 PolarHBondContact O-N 3.29Å; L316-G319 PolarHBondContact O-N 2.98Å; G319-K321 VanDerWaalsContact C-N 3.29Å; G319-K321 PolarHBondContact O-N 2.88Å; G319-A322 PolarHBondContact O-N 3.25Å; G319-S323 PolarHBondContact O-N 3.3Å; G319-S323 PolarHBondContact O-OG 3.45Å
320F95.3Very high95.2Very high112 Ų11270.4 Ų70.449%0.49136%0.359SS..Hα-helixtrans-66-32.3174.482.6-88.5000112.2M317 D318 K324 W415M317-F320 WeakPolarHBondContact O-CD1 3.19Å; M317-F320 WeakPolarHBondContact O-CE1 3.47Å; D318-F320 PolarHBondContact O-N 3.32Å; D318-F320 VanDerWaalsContact O-N 3.13Å; F320-K324 WeakPolarHBondContact O-CB 3.48Å; F320-K324 PolarHBondContact O-N 3.18Å; F320-W415 HydrophobicContact CB-CH2 3.97Å; F320-W415 HydrophobicContact CB-CZ3 4.38Å; F320-W415 AromaticContact CD2-CH2 4Å; F320-W415 HydrophobicContact CD2-CH2 4Å; F320-W415 HydrophobicContact CG-CH2 4.49Å; F320-W415 WeakPolarHBondContact O-CH2 3.49Å
321K97.1Very high95.6Very high113 Ų11371.2 Ų71.249%0.49136%0.359SS..Hα-helixtrans-68-46.6177.7-55.4171.3-177.81670109.9D318 G319 S323 K324 A325D318-K321 HydrophobicContact CB-CD 4.31Å; D318-K321 WeakPolarHBondContact O-CA 3.24Å; D318-K321 VanDerWaalsContact O-CB 3.22Å; D318-K321 WeakPolarHBondContact O-CB 3.45Å; D318-K321 PolarHBondContact O-N 3.44Å; D318-K321 WeakPolarHBondContact OD1-CE 3.49Å; D318-K321 IonicContact OD1-NZ 2.82Å; D318-K321 PolarHBondContact OD1-NZ 3.25Å; G319-K321 VanDerWaalsContact C-N 3.29Å; G319-K321 PolarHBondContact O-N 2.88Å; K321-S323 PolarHBondContact O-N 2.62Å; K321-K324 PolarHBondContact O-N 2.94Å; K321-A325 PolarHBondContact O-N 2.83Å
322A97.8Very high95.9Very high35 Ų3570.3 Ų70.329%0.28935%0.353SS..Hα-helixtrans-59.2-46.1175.300000111.7D318 G319 K324 A325 L326 L370D318-A322 PolarHBondContact O-N 3.5Å; G319-A322 PolarHBondContact O-N 3.25Å; A322-K324 PolarHBondContact O-N 3.01Å; A322-A325 PolarHBondContact O-N 3.37Å; A322-L326 PolarHBondContact O-N 3.02Å; A322-L326 VanDerWaalsContact O-N 3.08Å; A322-L370 HydrophobicContact CB-CD1 4.22Å; A322-L370 HydrophobicContact CB-CD2 3.7Å
323S97.1Very high96.2Very high50 Ų5069.2 Ų69.235%0.3535%0.352SS..Hα-helixtrans-58-47175.7-60.20000111.5G319 K321 A325 L326 F327G319-S323 PolarHBondContact O-N 3.3Å; G319-S323 PolarHBondContact O-OG 3.45Å; K321-S323 PolarHBondContact O-N 2.62Å; S323-A325 PolarHBondContact O-N 3.23Å; S323-L326 PolarHBondContact O-N 3.02Å; S323-F327 WeakPolarHBondContact O-CD1 3.45Å; S323-F327 WeakPolarHBondContact O-CG 3.28Å; S323-F327 PolarHBondContact O-N 2.95Å
324K97.4Very high96.4Very high68 Ų6864.9 Ų64.930%0.29633%0.33SS..Hα-helixtrans-69.4-32.2-178.6-160.162.4169.6-175.30113F320 K321 A322 F327 T328 N411 W415F320-K324 WeakPolarHBondContact O-CB 3.48Å; F320-K324 PolarHBondContact O-N 3.18Å; K321-K324 PolarHBondContact O-N 2.94Å; A322-K324 PolarHBondContact O-N 3.01Å; K324-F327 HydrophobicContact CD-CD2 4.27Å; K324-F327 PolarHBondContact O-N 2.82Å; K324-T328 VanDerWaalsContact O-CB 3.27Å; K324-T328 WeakPolarHBondContact O-CB 3.41Å; K324-T328 PolarHBondContact O-N 2.76Å; K324-T328 PolarHBondContact O-OG1 3.09Å; K324-N411 PolarHBondContact NZ-OD1 3.39Å; K324-W415 HydrophobicContact CB-CH2 3.99Å; K324-W415 HydrophobicContact CB-CZ3 4.4Å; K324-W415 HydrophobicContact CD-CD2 4.31Å; K324-W415 HydrophobicContact CD-CE3 4.48Å; K324-W415 HydrophobicContact CD-CH2 4.11Å; K324-W415 HydrophobicContact CD-CZ2 3.98Å; K324-W415 HydrophobicContact CD-CZ3 4.37Å; K324-W415 HydrophobicContact CG-CH2 4.38Å; K324-W415 HydrophobicContact CG-CZ2 4.43Å
325A98.4Very high96.8Very high15 Ų1558.7 Ų58.712%0.12431%0.305CS..Hα-helixtrans-62.4-49.5171.900000111.1K321 A322 S323 F327 T328 A329 L363 L370K321-A325 PolarHBondContact O-N 2.83Å; A322-A325 PolarHBondContact O-N 3.37Å; S323-A325 PolarHBondContact O-N 3.23Å; A325-F327 VanDerWaalsContact C-N 3.32Å; A325-F327 PolarHBondContact O-N 3.03Å; A325-T328 PolarHBondContact O-N 2.77Å; A325-A329 WeakPolarHBondContact O-CB 3.36Å; A325-A329 PolarHBondContact O-N 2.78Å; A325-L363 HydrophobicContact CB-CD1 4.2Å; A325-L370 HydrophobicContact CB-CD1 4.12Å
326L98.5Very high97Very high41 Ų4152.9 Ų52.922%0.21528%0.279CS..Hα-helixtrans-56-45.9174.8171.863.7000112A322 S323 T328 S330 F335 L372 L395 I407A322-L326 PolarHBondContact O-N 3.02Å; A322-L326 VanDerWaalsContact O-N 3.08Å; S323-L326 PolarHBondContact O-N 3.02Å; L326-T328 VanDerWaalsContact C-N 3.35Å; L326-T328 PolarHBondContact O-N 3.03Å; L326-S330 WeakPolarHBondContact O-CB 3.42Å; L326-S330 PolarHBondContact O-N 3.15Å; L326-S330 PolarHBondContact O-OG 2.78Å; L326-F335 HydrophobicContact CD1-CZ 4.48Å; L326-L372 HydrophobicContact CB-CD1 4.39Å; L326-L372 HydrophobicContact CD1-CD1 3.88Å; L326-L395 HydrophobicContact CD1-CD1 3.66Å; L326-L395 HydrophobicContact CD1-CD2 3.86Å; L326-L395 HydrophobicContact CD1-CG 4.43Å; L326-I407 HydrophobicContact CD1-CD1 4.18Å; L326-I407 HydrophobicContact CD2-CD1 4.28Å; L326-I407 HydrophobicContact CG-CD1 4.32Å; L326-I407 HydrophobicContact CG-CG2 4.43Å
327F98.3Very high97.2Very high22 Ų2247.9 Ų47.910%0.09625%0.253CS..Hα-helixtrans-63.4-43.7-179.3-66-0.6000111.3S323 K324 A325 S330 K331 I407 C410 N411 W415S323-F327 WeakPolarHBondContact O-CD1 3.45Å; S323-F327 WeakPolarHBondContact O-CG 3.28Å; S323-F327 PolarHBondContact O-N 2.95Å; K324-F327 HydrophobicContact CD-CD2 4.27Å; K324-F327 PolarHBondContact O-N 2.82Å; A325-F327 VanDerWaalsContact C-N 3.32Å; A325-F327 PolarHBondContact O-N 3.03Å; F327-S330 PolarHBondContact O-N 3.38Å; F327-K331 WeakPolarHBondContact O-CB 3.46Å; F327-K331 PolarHBondContact O-N 2.84Å; F327-I407 HydrophobicContact CD1-CG2 3.61Å; F327-I407 HydrophobicContact CE1-CG2 4.24Å; F327-I407 HydrophobicContact CG-CG2 4.43Å; F327-C410 HydrophobicContact CE1-CB 3.99Å; F327-C410 HydrophobicContact CE2-CB 4.19Å; F327-C410 HydrophobicContact CZ-CB 3.63Å; F327-N411 HydrophobicContact CB-CB 3.82Å; F327-N411 HydrophobicContact CD2-CB 3.7Å; F327-N411 HydrophobicContact CE2-CB 4.48Å; F327-N411 HydrophobicContact CG-CB 3.85Å; F327-W415 HydrophobicContact CD2-CE3 4.27Å; F327-W415 AromaticContact CE2-CE3 3.78Å; F327-W415 HydrophobicContact CE2-CE3 3.78Å; F327-W415 HydrophobicContact CE2-CZ3 4.33Å
328T98.1Very high97.3Very high45 Ų4542.7 Ų42.728%0.27623%0.228SC..Hα-helixtrans-67.1-46.7-179.5-57.40000111.1K324 A325 L326 S330 K331 F332 L363K324-T328 VanDerWaalsContact O-CB 3.27Å; K324-T328 WeakPolarHBondContact O-CB 3.41Å; K324-T328 PolarHBondContact O-N 2.76Å; K324-T328 PolarHBondContact O-OG1 3.09Å; A325-T328 PolarHBondContact O-N 2.77Å; L326-T328 VanDerWaalsContact C-N 3.35Å; L326-T328 PolarHBondContact O-N 3.03Å; T328-S330 VanDerWaalsContact C-N 3.31Å; T328-S330 PolarHBondContact O-N 3.41Å; T328-K331 PolarHBondContact O-N 2.95Å; T328-F332 HydrophobicContact CG2-CD2 3.73Å; T328-F332 HydrophobicContact CG2-CE2 3.52Å; T328-F332 VanDerWaalsContact O-CD2 3.25Å; T328-F332 WeakPolarHBondContact O-CD2 3.32Å; T328-F332 PolarHBondContact O-N 2.84Å; T328-L363 HydrophobicContact CG2-CD2 4.04Å
329A98.4Very high97.5Very high0 Ų043.4 Ų43.40%023%0.229CC..Hα-helixtrans-58.6-42.3175.300000112.1A325 F332 C333 L334 F335 L363A325-A329 WeakPolarHBondContact O-CB 3.36Å; A325-A329 PolarHBondContact O-N 2.78Å; A329-F332 PolarHBondContact O-N 2.66Å; A329-C333 PolarHBondContact O-N 2.83Å; A329-L334 HydrophobicContact CB-CB 4.35Å; A329-L334 HydrophobicContact CB-CD2 3.92Å; A329-L334 VanDerWaalsContact O-CB 3.28Å; A329-L334 WeakPolarHBondContact O-CB 3.21Å; A329-L334 PolarHBondContact O-N 3.5Å; A329-F335 HydrophobicContact CB-CE2 3.91Å; A329-F335 HydrophobicContact CB-CZ 3.76Å; A329-L363 HydrophobicContact CB-CD2 4.46Å
330S98Very high97.5Very high0 Ų050.1 Ų50.10%025%0.25CS..Hα-helixtrans-66.1-39.9176.7-56.80000112.1L326 F327 T328 F332 C333L326-S330 WeakPolarHBondContact O-CB 3.42Å; L326-S330 PolarHBondContact O-N 3.15Å; L326-S330 PolarHBondContact O-OG 2.78Å; F327-S330 PolarHBondContact O-N 3.38Å; T328-S330 VanDerWaalsContact C-N 3.31Å; T328-S330 PolarHBondContact O-N 3.41Å; S330-F332 VanDerWaalsContact C-N 3.33Å; S330-F332 PolarHBondContact O-N 3.46Å; S330-C333 PolarHBondContact O-N 3.43Å
331K96.6Very high97.4Very high116 Ų11649.1 Ų49.150%0.50425%0.246SC..Hα-helixtrans-67.3-31.6178.2-172.3163.1-169.8156.50113.2F327 T328 C333 L408 D412F327-K331 WeakPolarHBondContact O-CB 3.46Å; F327-K331 PolarHBondContact O-N 2.84Å; T328-K331 PolarHBondContact O-N 2.95Å; K331-C333 PolarHBondContact O-N 2.88Å; K331-L408 HydrophobicContact CB-CD2 3.99Å; K331-L408 HydrophobicContact CG-CD2 4.46Å; K331-D412 IonicContact NZ-OD1 2.72Å; K331-D412 PolarHBondContact NZ-OD1 3.01Å; K331-D412 IonicContact NZ-OD2 3.49Å
332F97.7Very high96.9Very high81 Ų8147.9 Ų47.936%0.35525%0.249SC..THydrogen-bonded Turntrans-79.80.8171.6-77.4-58.9000113.8T328 A329 S330 L334 I353 A355 L363T328-F332 HydrophobicContact CG2-CD2 3.73Å; T328-F332 HydrophobicContact CG2-CE2 3.52Å; T328-F332 VanDerWaalsContact O-CD2 3.25Å; T328-F332 WeakPolarHBondContact O-CD2 3.32Å; T328-F332 PolarHBondContact O-N 2.84Å; A329-F332 PolarHBondContact O-N 2.66Å; S330-F332 VanDerWaalsContact C-N 3.33Å; S330-F332 PolarHBondContact O-N 3.46Å; F332-L334 PolarHBondContact O-N 3.45Å; F332-I353 HydrophobicContact CB-CB 4.13Å; F332-I353 HydrophobicContact CB-CD1 4.17Å; F332-I353 HydrophobicContact CB-CG2 4.27Å; F332-I353 HydrophobicContact CD1-CB 4.17Å; F332-I353 HydrophobicContact CD1-CD1 4.4Å; F332-I353 HydrophobicContact CD1-CG1 4.45Å; F332-I353 HydrophobicContact CD2-CD1 4.4Å; F332-I353 HydrophobicContact CG-CB 4.38Å; F332-I353 HydrophobicContact CG-CD1 4.1Å; F332-A355 HydrophobicContact CE1-CB 4.48Å; F332-A355 HydrophobicContact CZ-CB 4.47Å; F332-L363 HydrophobicContact CD2-CD2 4.3Å
333C97.5Very high96.5Very high59 Ų5947.4 Ų47.440%0.39925%0.248SC..THydrogen-bonded Turntrans53.832.5-173.5-550000112.8A329 S330 K331 F335 D336 V337A329-C333 PolarHBondContact O-N 2.83Å; S330-C333 PolarHBondContact O-N 3.43Å; K331-C333 PolarHBondContact O-N 2.88Å; C333-F335 VanDerWaalsContact C-N 3.31Å; C333-F335 PolarHBondContact O-N 3.04Å; C333-D336 HydrophobicContact CB-CB 4.44Å; C333-D336 PolarHBondContact O-N 3.29Å; C333-D336 VanDerWaalsContact O-N 3.09Å; C333-V337 PolarHBondContact O-N 2.8Å; C333-V337 VanDerWaalsContact O-N 3.12Å
334L98Very high96.4Very high2 Ų246.1 Ų46.11%0.0124%0.237CC..Hα-helixtrans-56.7-44.3-173.3175.459.7000112.2A329 F332 D336 V337 L338 I349 L364 L373A329-L334 HydrophobicContact CB-CB 4.35Å; A329-L334 HydrophobicContact CB-CD2 3.92Å; A329-L334 VanDerWaalsContact O-CB 3.28Å; A329-L334 WeakPolarHBondContact O-CB 3.21Å; A329-L334 PolarHBondContact O-N 3.5Å; F332-L334 PolarHBondContact O-N 3.45Å; L334-D336 VanDerWaalsContact C-N 3.27Å; L334-D336 PolarHBondContact O-N 3.12Å; L334-V337 WeakPolarHBondContact O-CB 3.07Å; L334-V337 PolarHBondContact O-N 2.81Å; L334-L338 HydrophobicContact CD1-CD1 4.07Å; L334-L338 HydrophobicContact CD1-CG 4.23Å; L334-L338 HydrophobicContact CG-CD1 4.19Å; L334-L338 PolarHBondContact O-N 2.88Å; L334-I349 HydrophobicContact CD1-CG2 3.44Å; L334-I349 VanDerWaalsContact CD1-CG2 3.44Å; L334-L364 HydrophobicContact CD1-CD2 4.02Å; L334-L364 HydrophobicContact CD2-CD2 3.94Å; L334-L373 HydrophobicContact CD2-CD1 4.14Å
335F98.2Very high96.3Very high1 Ų144.2 Ų44.20%0.00423%0.23CC..Hα-helixtrans-66.1-30.5-178.2-50.2-69.5000112.4L326 A329 C333 H339 L372 L373 N387 A391 L395 R396L326-F335 HydrophobicContact CD1-CZ 4.48Å; A329-F335 HydrophobicContact CB-CE2 3.91Å; A329-F335 HydrophobicContact CB-CZ 3.76Å; C333-F335 VanDerWaalsContact C-N 3.31Å; C333-F335 PolarHBondContact O-N 3.04Å; F335-H339 WeakPolarHBondContact O-CB 3.5Å; F335-H339 PolarHBondContact O-N 2.85Å; F335-L372 HydrophobicContact CE1-CB 4.17Å; F335-L372 HydrophobicContact CZ-CD1 4.37Å; F335-L373 HydrophobicContact CD1-CD2 4.02Å; F335-L373 HydrophobicContact CE1-CD2 4.02Å; F335-N387 WeakPolarHBondContact CA-OD1 3.37Å; F335-N387 WeakPolarHBondContact CD1-OD1 3.41Å; F335-N387 PolarHBondContact O-ND2 3Å; F335-A391 HydrophobicContact CD1-CB 3.84Å; F335-A391 HydrophobicContact CE1-CB 4.07Å; F335-L395 HydrophobicContact CB-CB 4.4Å; F335-L395 HydrophobicContact CD1-CB 4.28Å; F335-L395 HydrophobicContact CD1-CD1 4.37Å; F335-L395 HydrophobicContact CD2-CB 3.55Å; F335-L395 HydrophobicContact CD2-CD1 4.32Å; F335-L395 HydrophobicContact CE1-CD1 3.83Å; F335-L395 HydrophobicContact CE2-CB 3.81Å; F335-L395 HydrophobicContact CE2-CD1 3.78Å; F335-L395 HydrophobicContact CE2-CG 4.37Å; F335-L395 HydrophobicContact CG-CB 3.81Å; F335-L395 HydrophobicContact CZ-CB 4.29Å; F335-L395 HydrophobicContact CZ-CD1 3.51Å; F335-R396 HydrophobicContact CB-CG 4.3Å
336D98Very high96.2Very high17 Ų1744 Ų449%0.09123%0.228CC..Hα-helixtrans-74.8-39.5176.4-60.6-36.9000111.2C333 L334 H339 K340 R396 S397C333-D336 HydrophobicContact CB-CB 4.44Å; C333-D336 PolarHBondContact O-N 3.29Å; C333-D336 VanDerWaalsContact O-N 3.09Å; L334-D336 VanDerWaalsContact C-N 3.27Å; L334-D336 PolarHBondContact O-N 3.12Å; D336-H339 PolarHBondContact O-N 3.02Å; D336-K340 WeakPolarHBondContact O-CG 3.35Å; D336-K340 PolarHBondContact O-N 3.18Å; D336-R396 WeakPolarHBondContact OD1-CA 2.79Å; D336-S397 PolarHBondContact OD1-N 3.11Å; D336-S397 PolarHBondContact OD1-OG 3.08Å; D336-S397 VanDerWaalsContact OD1-OG 3.09Å; D336-S397 WeakPolarHBondContact OD2-CB 3.49Å; D336-S397 PolarHBondContact OD2-OG 3.44Å
337V97.8Very high96.1Very high20 Ų2046.1 Ų46.112%0.12124%0.237CC..Hα-helixtrans-58.5-51.1173.8171.10000110.1C333 L334 H339 K340 K341 L344 E352 I353C333-V337 PolarHBondContact O-N 2.8Å; C333-V337 VanDerWaalsContact O-N 3.12Å; L334-V337 WeakPolarHBondContact O-CB 3.07Å; L334-V337 PolarHBondContact O-N 2.81Å; V337-H339 VanDerWaalsContact C-N 3.28Å; V337-H339 PolarHBondContact O-N 2.81Å; V337-K340 PolarHBondContact O-N 3.46Å; V337-K341 PolarHBondContact O-N 3Å; V337-L344 HydrophobicContact CG1-CD1 4.03Å; V337-E352 HydrophobicContact CG1-CB 3.73Å; V337-E352 HydrophobicContact CG1-CG 3.92Å; V337-E352 HydrophobicContact CG2-CB 4.26Å; V337-I353 HydrophobicContact CG2-CG2 4.17Å
338L96.7Very high96Very high3 Ų349 Ų492%0.01625%0.251CS..Hα-helixtrans-67.1-28.2-179.8-70.3177000113.2L334 K341 P342 I349 L373 F385L334-L338 HydrophobicContact CD1-CD1 4.07Å; L334-L338 HydrophobicContact CD1-CG 4.23Å; L334-L338 HydrophobicContact CG-CD1 4.19Å; L334-L338 PolarHBondContact O-N 2.88Å; L338-K341 CarbonylContact O-C 3.56Å; L338-P342 VanDerWaalsContact O-CA 3.28Å; L338-P342 WeakPolarHBondContact O-CA 3.32Å; L338-I349 HydrophobicContact CD2-CD1 3.73Å; L338-I349 HydrophobicContact CD2-CG1 4.1Å; L338-L373 HydrophobicContact CD1-CD1 3.96Å; L338-L373 HydrophobicContact CD1-CD2 3.47Å; L338-L373 VanDerWaalsContact CD1-CD2 3.47Å; L338-L373 HydrophobicContact CD1-CG 4.37Å; L338-F385 HydrophobicContact CD1-CB 4.39Å; L338-F385 HydrophobicContact CD2-CB 4.23Å
339H96.3Very high96Very high84 Ų8446.9 Ų46.939%0.38924%0.238SC..Hα-helixtrans-69.8-45.2172.5-178.451000111.9F335 D336 V337 R396F335-H339 WeakPolarHBondContact O-CB 3.5Å; F335-H339 PolarHBondContact O-N 2.85Å; D336-H339 PolarHBondContact O-N 3.02Å; V337-H339 VanDerWaalsContact C-N 3.28Å; V337-H339 PolarHBondContact O-N 2.81Å; H339-R396 HydrophobicContact CB-CG 4.43Å; H339-R396 PolarHBondContact CD2-NH2 3.23Å; H339-R396 VanDerWaalsContact CE1-CZ 3.47Å; H339-R396 PolarHBondContact CE1-NH1 3.39Å; H339-R396 VanDerWaalsContact CG-CZ 3.43Å; H339-R396 PolarHBondContact ND1-NH1 3.08Å; H339-R396 PolarHBondContact NE2-NH1 2.89Å; H339-R396 PolarHBondContact NE2-NH2 2.86Å
340K96.2Very high96Very high169 Ų16947 Ų4774%0.73524%0.239SC*.Hα-helixtrans-69.5-34.7180-70.9173.6-177.1175.20112.4D336 V337D336-K340 WeakPolarHBondContact O-CG 3.35Å; D336-K340 PolarHBondContact O-N 3.18Å; V337-K340 PolarHBondContact O-N 3.46Å
341K93.8Very high96Very high91 Ų9153.3 Ų53.340%0.39627%0.268SS..SBendtrans-133.284.1-177.4-64.3176.6-178.7166.10108.9V337 L338 L344 E352V337-K341 PolarHBondContact O-N 3Å; L338-K341 CarbonylContact O-C 3.56Å; K341-L344 HydrophobicContact CB-CD1 3.69Å; K341-L344 HydrophobicContact CB-CD2 4.17Å; K341-L344 HydrophobicContact CB-CG 3.89Å; K341-L344 HydrophobicContact CD-CD1 4.19Å; K341-L344 WeakPolarHBondContact O-CG 3.49Å; K341-E352 IonicContact NZ-OE1 3.98Å; K341-E352 PolarHBondContact NZ-OE1 3.17Å; K341-E352 IonicContact NZ-OE2 2.65Å; K341-E352 PolarHBondContact NZ-OE2 3.4Å
342P86.8Confident96Very high86 Ų8652 Ų5256%0.55826%0.263SS*.THydrogen-bonded Turntrans-72.8142.7-178.828.4-34.1000111.7L338L338-P342 VanDerWaalsContact O-CA 3.28Å; L338-P342 WeakPolarHBondContact O-CA 3.32Å
343G88.3Confident96Very high26 Ų2648.9 Ų48.927%0.26825%0.251SS..THydrogen-bonded Turntrans82.416.9173.500000115.4F385G343-F385 WeakPolarHBondContact CA-O 3.48Å; G343-F385 PolarHBondContact N-O 3.11Å
344L95.1Very high96Very high22 Ų2255.2 Ų55.212%0.11527%0.271CS..  trans-63.1145.6171.1-65-180000111V337 K341 Q348 I349 E352 G384 F385V337-L344 HydrophobicContact CG1-CD1 4.03Å; K341-L344 HydrophobicContact CB-CD1 3.69Å; K341-L344 HydrophobicContact CB-CD2 4.17Å; K341-L344 HydrophobicContact CB-CG 3.89Å; K341-L344 HydrophobicContact CD-CD1 4.19Å; K341-L344 WeakPolarHBondContact O-CG 3.49Å; L344-Q348 HydrophobicContact CB-CB 4.14Å; L344-Q348 HydrophobicContact CD2-CB 4.04Å; L344-Q348 HydrophobicContact CG-CB 4.47Å; L344-I349 HydrophobicContact CB-CD1 4.14Å; L344-I349 HydrophobicContact CB-CG1 3.62Å; L344-I349 HydrophobicContact CD1-CG1 4.21Å; L344-E352 HydrophobicContact CD1-CG 4.18Å; L344-G384 CarbonylContact O-C 3.23Å; L344-G384 WeakPolarHBondContact O-CA 3.3Å; L344-F385 PolarHBondContact O-N 2.87Å
345D95.4Very high96Very high29 Ų2956.9 Ų56.916%0.15529%0.285CS..  trans-82.8171.9169.270.729.9000112E347 Q348 I349 K382D345-E347 VanDerWaalsContact C-N 3.26Å; D345-E347 PolarHBondContact O-N 3.33Å; D345-E347 PolarHBondContact OD1-N 2.93Å; D345-E347 VanDerWaalsContact OD1-N 3.07Å; D345-Q348 VanDerWaalsContact N-OE1 3.08Å; D345-Q348 PolarHBondContact O-N 3.12Å; D345-Q348 WeakPolarHBondContact OD1-CG 3.39Å; D345-Q348 PolarHBondContact OD1-N 2.88Å; D345-I349 WeakPolarHBondContact O-CD1 3.22Å; D345-I349 WeakPolarHBondContact O-CG1 3.46Å; D345-I349 PolarHBondContact O-N 3.22Å; D345-K382 HydrophobicContact CB-CB 4.05Å; D345-K382 WeakPolarHBondContact OD2-CD 3.32Å
346A95.7Very high96Very high11 Ų1160.6 Ų60.69%0.09131%0.311CS..Hα-helixtrans-60.6-32.6-176.300000113.8A350 E361 L364 F385A346-A350 VanDerWaalsContact O-CB 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.36Å; A346-A350 PolarHBondContact O-N 3.42Å; A346-E361 HydrophobicContact CB-CB 4.13Å; A346-E361 HydrophobicContact CB-CG 4.37Å; A346-L364 HydrophobicContact CB-CD1 3.79Å; A346-F385 HydrophobicContact CB-CE2 4.31Å
347E96.8Very high95.9Very high84 Ų8463 Ų6339%0.39333%0.326SS..Hα-helixtrans-72.6-43.6-179.2-176.5174-168.100110.8D345 A350 Q351 V357 K382D345-E347 VanDerWaalsContact C-N 3.26Å; D345-E347 PolarHBondContact O-N 3.33Å; D345-E347 PolarHBondContact OD1-N 2.93Å; D345-E347 VanDerWaalsContact OD1-N 3.07Å; E347-A350 PolarHBondContact O-N 3.33Å; E347-Q351 WeakPolarHBondContact O-CG 3.43Å; E347-Q351 PolarHBondContact O-N 3.03Å; E347-V357 HydrophobicContact CB-CG1 4.41Å; E347-V357 HydrophobicContact CG-CG2 4.24Å; E347-K382 IonicContact OE2-NZ 2.8Å; E347-K382 PolarHBondContact OE2-NZ 3.42Å
348Q97.4Very high95.9Very high84 Ų8469.9 Ų69.939%0.39336%0.355SS..Hα-helixtrans-64.3-43.4174.8-66.4172.4-39.300111.5L344 D345 A350 Q351 E352L344-Q348 HydrophobicContact CB-CB 4.14Å; L344-Q348 HydrophobicContact CD2-CB 4.04Å; L344-Q348 HydrophobicContact CG-CB 4.47Å; D345-Q348 VanDerWaalsContact N-OE1 3.08Å; D345-Q348 PolarHBondContact O-N 3.12Å; D345-Q348 WeakPolarHBondContact OD1-CG 3.39Å; D345-Q348 PolarHBondContact OD1-N 2.88Å; Q348-A350 VanDerWaalsContact C-N 3.33Å; Q348-A350 PolarHBondContact O-N 2.82Å; Q348-Q351 WeakPolarHBondContact O-CB 3.41Å; Q348-Q351 PolarHBondContact O-N 2.94Å; Q348-E352 WeakPolarHBondContact O-CG 3.46Å; Q348-E352 PolarHBondContact O-N 2.87Å; Q348-E352 VanDerWaalsContact O-N 3.14Å
349I97.8Very high96Very high0 Ų071.5 Ų71.50%037%0.372CS..Hα-helixtrans-61.7-44.3177.1-66.4162.1000110.4L334 L338 L344 D345 Q351 E352 I353 T360 L364 F385L334-I349 HydrophobicContact CD1-CG2 3.44Å; L334-I349 VanDerWaalsContact CD1-CG2 3.44Å; L338-I349 HydrophobicContact CD2-CD1 3.73Å; L338-I349 HydrophobicContact CD2-CG1 4.1Å; L344-I349 HydrophobicContact CB-CD1 4.14Å; L344-I349 HydrophobicContact CB-CG1 3.62Å; L344-I349 HydrophobicContact CD1-CG1 4.21Å; D345-I349 WeakPolarHBondContact O-CD1 3.22Å; D345-I349 WeakPolarHBondContact O-CG1 3.46Å; D345-I349 PolarHBondContact O-N 3.22Å; I349-Q351 PolarHBondContact O-N 2.91Å; I349-E352 PolarHBondContact O-N 3.19Å; I349-E352 VanDerWaalsContact O-N 3.09Å; I349-I353 HydrophobicContact CG2-CD1 4.35Å; I349-I353 HydrophobicContact CG2-CG2 4.42Å; I349-I353 WeakPolarHBondContact O-CG1 3.42Å; I349-I353 PolarHBondContact O-N 3.28Å; I349-T360 HydrophobicContact CB-CG2 4.11Å; I349-T360 HydrophobicContact CG2-CG2 3.68Å; I349-L364 HydrophobicContact CB-CD1 4.42Å; I349-L364 HydrophobicContact CD1-CD1 3.65Å; I349-L364 HydrophobicContact CD1-CD2 3.89Å; I349-L364 HydrophobicContact CD1-CG 4.45Å; I349-L364 HydrophobicContact CG2-CD1 4.42Å; I349-F385 HydrophobicContact CD1-CB 4.08Å; I349-F385 HydrophobicContact CD1-CD2 3.94Å; I349-F385 HydrophobicContact CD1-CG 4.32Å
350A98Very high96.1Very high2 Ų267.7 Ų67.72%0.01736%0.355CS..Hα-helixtrans-57.8-37.5178.900000112.1A346 E347 Q348 K354 A355 V357 T360A346-A350 VanDerWaalsContact O-CB 3.29Å; A346-A350 WeakPolarHBondContact O-CB 3.36Å; A346-A350 PolarHBondContact O-N 3.42Å; E347-A350 PolarHBondContact O-N 3.33Å; Q348-A350 VanDerWaalsContact C-N 3.33Å; Q348-A350 PolarHBondContact O-N 2.82Å; A350-K354 WeakPolarHBondContact O-CA 3.4Å; A350-K354 PolarHBondContact O-N 3.47Å; A350-A355 PolarHBondContact O-N 3.26Å; A350-V357 HydrophobicContact CB-CB 4.5Å; A350-V357 HydrophobicContact CB-CG2 4.08Å; A350-T360 HydrophobicContact CB-CG2 4.09Å; A350-T360 WeakPolarHBondContact CB-OG1 3.5Å
351Q97.8Very high96.1Very high133 Ų13364 Ų6462%0.62134%0.34SS*.Hα-helixtrans-65.8-46.1174.3-68.2172.9700112E347 Q348 I349 I353 K354E347-Q351 WeakPolarHBondContact O-CG 3.43Å; E347-Q351 PolarHBondContact O-N 3.03Å; Q348-Q351 WeakPolarHBondContact O-CB 3.41Å; Q348-Q351 PolarHBondContact O-N 2.94Å; I349-Q351 PolarHBondContact O-N 2.91Å; Q351-I353 PolarHBondContact O-N 2.81Å; Q351-K354 PolarHBondContact O-N 3.49Å
352E97.8Very high96.3Very high87 Ų8763.6 Ų63.641%0.40735%0.345SS..Hα-helixtrans-62.7-42.4180-64.1-72.3148.100112.2V337 K341 L344 Q348 I349 K354V337-E352 HydrophobicContact CG1-CB 3.73Å; V337-E352 HydrophobicContact CG1-CG 3.92Å; V337-E352 HydrophobicContact CG2-CB 4.26Å; K341-E352 IonicContact NZ-OE1 3.98Å; K341-E352 PolarHBondContact NZ-OE1 3.17Å; K341-E352 IonicContact NZ-OE2 2.65Å; K341-E352 PolarHBondContact NZ-OE2 3.4Å; L344-E352 HydrophobicContact CD1-CG 4.18Å; Q348-E352 WeakPolarHBondContact O-CG 3.46Å; Q348-E352 PolarHBondContact O-N 2.87Å; Q348-E352 VanDerWaalsContact O-N 3.14Å; I349-E352 PolarHBondContact O-N 3.19Å; I349-E352 VanDerWaalsContact O-N 3.09Å; E352-K354 VanDerWaalsContact C-N 3.35Å
353I96.8Very high96.8Very high17 Ų1760.7 Ų60.79%0.08733%0.325CS..Hα-helixtrans-89.5-0.2-178.673.8177.3000113.6F332 V337 I349 Q351 A355 T360F332-I353 HydrophobicContact CB-CB 4.13Å; F332-I353 HydrophobicContact CB-CD1 4.17Å; F332-I353 HydrophobicContact CB-CG2 4.27Å; F332-I353 HydrophobicContact CD1-CB 4.17Å; F332-I353 HydrophobicContact CD1-CD1 4.4Å; F332-I353 HydrophobicContact CD1-CG1 4.45Å; F332-I353 HydrophobicContact CD2-CD1 4.4Å; F332-I353 HydrophobicContact CG-CB 4.38Å; F332-I353 HydrophobicContact CG-CD1 4.1Å; V337-I353 HydrophobicContact CG2-CG2 4.17Å; I349-I353 HydrophobicContact CG2-CD1 4.35Å; I349-I353 HydrophobicContact CG2-CG2 4.42Å; I349-I353 WeakPolarHBondContact O-CG1 3.42Å; I349-I353 PolarHBondContact O-N 3.28Å; Q351-I353 PolarHBondContact O-N 2.81Å; I353-A355 HydrophobicContact CD1-CB 3.94Å; I353-A355 HydrophobicContact CG1-CB 3.75Å; I353-T360 HydrophobicContact CD1-CG2 3.97Å
354K97.4Very high97.3Very high192 Ų19259.5 Ų59.584%0.83531%0.313SS*.THydrogen-bonded Turntrans55.548.6-178.8-55.2177.5-178.1177.60113.2A350 Q351 E352A350-K354 WeakPolarHBondContact O-CA 3.4Å; A350-K354 PolarHBondContact O-N 3.47Å; Q351-K354 PolarHBondContact O-N 3.49Å; E352-K354 VanDerWaalsContact C-N 3.35Å
355A97.4Very high97.3Very high36 Ų3663.9 Ų63.930%0.29833%0.333SS..  trans-122.2173.1179.100000111.9F332 A350 I353F332-A355 HydrophobicContact CE1-CB 4.48Å; F332-A355 HydrophobicContact CZ-CB 4.47Å; A350-A355 PolarHBondContact O-N 3.26Å; I353-A355 HydrophobicContact CD1-CB 3.94Å; I353-A355 HydrophobicContact CG1-CB 3.75Å
356S98.2Very high97.5Very high79 Ų7964.3 Ų64.355%0.55234%0.34SS*.  trans-72.2144.5173.369.50000110.7K358 G359 T360S356-K358 PolarHBondContact O-N 2.9Å; S356-G359 PolarHBondContact O-N 3.03Å; S356-G359 PolarHBondContact OG-N 3.43Å; S356-G359 VanDerWaalsContact OG-N 3.17Å; S356-T360 WeakPolarHBondContact O-CB 3.38Å; S356-T360 PolarHBondContact O-N 3.12Å; S356-T360 PolarHBondContact O-OG1 2.92Å
357V97.5Very high97.6Very high67 Ų6763.8 Ų63.841%0.40634%0.335SS..Hα-helixtrans-57.5-49.8177.9-179.80000110.6E347 A350 G359 T360 E361E347-V357 HydrophobicContact CB-CG1 4.41Å; E347-V357 HydrophobicContact CG-CG2 4.24Å; A350-V357 HydrophobicContact CB-CB 4.5Å; A350-V357 HydrophobicContact CB-CG2 4.08Å; V357-G359 PolarHBondContact O-N 3.49Å; V357-T360 PolarHBondContact O-N 2.99Å; V357-E361 WeakPolarHBondContact O-CB 3.45Å; V357-E361 PolarHBondContact O-N 3.48Å
358K97.6Very high97.6Very high166 Ų16661.7 Ų61.772%0.72233%0.329SS*.Hα-helixtrans-59.3-41.6179.3-175.6178.6-178.5179.60113.5S356 T362S356-K358 PolarHBondContact O-N 2.9Å; K358-T362 PolarHBondContact O-N 2.92Å; K358-T362 PolarHBondContact O-OG1 3.23Å
359G97.7Very high97.6Very high37 Ų3762.9 Ų62.938%0.38135%0.346SS..Hα-helixtrans-68.6-40.4178.200000111.7S356 V357 L363S356-G359 PolarHBondContact O-N 3.03Å; S356-G359 PolarHBondContact OG-N 3.43Å; S356-G359 VanDerWaalsContact OG-N 3.17Å; V357-G359 PolarHBondContact O-N 3.49Å; G359-L363 WeakPolarHBondContact O-CB 3.02Å; G359-L363 PolarHBondContact O-N 3.22Å
360T98.3Very high97.6Very high4 Ų466.4 Ų66.43%0.02536%0.364CS..Hα-helixtrans-65.5-46.1178-54.70000111.2I349 A350 I353 S356 V357 L363 L364I349-T360 HydrophobicContact CB-CG2 4.11Å; I349-T360 HydrophobicContact CG2-CG2 3.68Å; A350-T360 HydrophobicContact CB-CG2 4.09Å; A350-T360 WeakPolarHBondContact CB-OG1 3.5Å; I353-T360 HydrophobicContact CD1-CG2 3.97Å; S356-T360 WeakPolarHBondContact O-CB 3.38Å; S356-T360 PolarHBondContact O-N 3.12Å; S356-T360 PolarHBondContact O-OG1 2.92Å; V357-T360 PolarHBondContact O-N 2.99Å; T360-L363 PolarHBondContact O-N 2.91Å; T360-L364 HydrophobicContact CG2-CD1 3.81Å; T360-L364 HydrophobicContact CG2-CG 4.22Å; T360-L364 WeakPolarHBondContact O-CB 3.41Å; T360-L364 WeakPolarHBondContact O-CG 3.46Å; T360-L364 PolarHBondContact O-N 3.4Å
361E96.5Very high97.6Very high90 Ų9068.2 Ų68.242%0.42138%0.383SS..Hα-helixtrans-57.1-52.4177.5-172.6170.7-147.600111.5A346 V357 L363 L364 E365A346-E361 HydrophobicContact CB-CB 4.13Å; A346-E361 HydrophobicContact CB-CG 4.37Å; V357-E361 WeakPolarHBondContact O-CB 3.45Å; V357-E361 PolarHBondContact O-N 3.48Å; E361-L363 VanDerWaalsContact C-N 3.28Å; E361-L363 PolarHBondContact O-N 3.21Å; E361-L364 PolarHBondContact O-N 3.34Å; E361-L364 VanDerWaalsContact O-N 3.13Å; E361-E365 WeakPolarHBondContact O-CG 3.28Å; E361-E365 PolarHBondContact O-N 3.07Å
362T97.6Very high97.6Very high83 Ų8362.9 Ų62.951%0.50936%0.359SS..Hα-helixtrans-57.6-40.3176.3-45.90000112.2K358 A366K358-T362 PolarHBondContact O-N 2.92Å; K358-T362 PolarHBondContact O-OG1 3.23Å; T362-A366 WeakPolarHBondContact O-CB 3.44Å; T362-A366 PolarHBondContact O-N 3.39Å
363L98.4Very high97.6Very high26 Ų2658.9 Ų58.914%0.13634%0.341CS..Hα-helixtrans-68.2-40.2178.5-18062.8000111.9A325 T328 A329 F332 G359 T360 E361 A366 C367A325-L363 HydrophobicContact CB-CD1 4.2Å; T328-L363 HydrophobicContact CG2-CD2 4.04Å; A329-L363 HydrophobicContact CB-CD2 4.46Å; F332-L363 HydrophobicContact CD2-CD2 4.3Å; G359-L363 WeakPolarHBondContact O-CB 3.02Å; G359-L363 PolarHBondContact O-N 3.22Å; T360-L363 PolarHBondContact O-N 2.91Å; E361-L363 VanDerWaalsContact C-N 3.28Å; E361-L363 PolarHBondContact O-N 3.21Å; L363-A366 PolarHBondContact O-N 2.8Å; L363-C367 WeakPolarHBondContact O-CB 3.28Å; L363-C367 PolarHBondContact O-N 2.92Å; L363-C367 PolarHBondContact O-SG 3.05Å
364L97.8Very high97.5Very high1 Ų162 Ų621%0.00535%0.353CS..Hα-helixtrans-64.4-46.4177.4-71.4167.7000111.1L334 A346 I349 T360 E361 A366 C367 V368 L373 F385L334-L364 HydrophobicContact CD1-CD2 4.02Å; L334-L364 HydrophobicContact CD2-CD2 3.94Å; A346-L364 HydrophobicContact CB-CD1 3.79Å; I349-L364 HydrophobicContact CB-CD1 4.42Å; I349-L364 HydrophobicContact CD1-CD1 3.65Å; I349-L364 HydrophobicContact CD1-CD2 3.89Å; I349-L364 HydrophobicContact CD1-CG 4.45Å; I349-L364 HydrophobicContact CG2-CD1 4.42Å; T360-L364 HydrophobicContact CG2-CD1 3.81Å; T360-L364 HydrophobicContact CG2-CG 4.22Å; T360-L364 WeakPolarHBondContact O-CB 3.41Å; T360-L364 WeakPolarHBondContact O-CG 3.46Å; T360-L364 PolarHBondContact O-N 3.4Å; E361-L364 PolarHBondContact O-N 3.34Å; E361-L364 VanDerWaalsContact O-N 3.13Å; L364-A366 VanDerWaalsContact C-N 3.33Å; L364-A366 PolarHBondContact O-N 3.14Å; L364-C367 PolarHBondContact O-N 3.05Å; L364-C367 VanDerWaalsContact O-N 3.13Å; L364-V368 WeakPolarHBondContact O-CG2 3.5Å; L364-V368 PolarHBondContact O-N 3.16Å; L364-L373 HydrophobicContact CD2-CD1 3.54Å; L364-F385 HydrophobicContact CB-CD1 4.06Å; L364-F385 HydrophobicContact CB-CE1 3.71Å; L364-F385 HydrophobicContact CB-CE2 4.4Å; L364-F385 HydrophobicContact CB-CZ 3.9Å; L364-F385 HydrophobicContact CD1-CD2 3.9Å; L364-F385 HydrophobicContact CD1-CE2 3.82Å; L364-F385 HydrophobicContact CD1-CG 4.33Å; L364-F385 HydrophobicContact CD1-CZ 4.16Å; L364-F385 HydrophobicContact CD2-CB 4.44Å; L364-F385 HydrophobicContact CD2-CD1 4.29Å; L364-F385 HydrophobicContact CD2-CG 4.17Å
365E96.5Very high97.4Very high114 Ų11455.7 Ų55.753%0.53333%0.331SS..Hα-helixtrans-58.2-44.8175.1-70.6175.6167.700111.7E361 C367 V368 S369E361-E365 WeakPolarHBondContact O-CG 3.28Å; E361-E365 PolarHBondContact O-N 3.07Å; E365-C367 PolarHBondContact O-N 3.29Å; E365-V368 PolarHBondContact O-N 2.99Å; E365-S369 WeakPolarHBondContact O-CB 3.4Å; E365-S369 PolarHBondContact O-N 3.07Å
366A98.1Very high96.8Very high37 Ų3759.5 Ų59.531%0.30634%0.338SS..Hα-helixtrans-60.9-43.7174.100000111.6T362 L363 L364 V368 S369 L370T362-A366 WeakPolarHBondContact O-CB 3.44Å; T362-A366 PolarHBondContact O-N 3.39Å; L363-A366 PolarHBondContact O-N 2.8Å; L364-A366 VanDerWaalsContact C-N 3.33Å; L364-A366 PolarHBondContact O-N 3.14Å; A366-V368 VanDerWaalsContact C-N 3.33Å; A366-V368 PolarHBondContact O-N 3.18Å; A366-S369 WeakPolarHBondContact O-CB 3.37Å; A366-S369 PolarHBondContact O-N 3.45Å; A366-L370 WeakPolarHBondContact O-CB 3.31Å; A366-L370 VanDerWaalsContact O-CG 3.22Å; A366-L370 WeakPolarHBondContact O-CG 3.38Å; A366-L370 PolarHBondContact O-N 3.48Å
367C98.3Very high95.9Very high0 Ų059.4 Ų59.40%033%0.331CS..Hα-helixtrans-66.5-33.1178-68.80000112.9L363 L364 E365 G371 L372 L373L363-C367 WeakPolarHBondContact O-CB 3.28Å; L363-C367 PolarHBondContact O-N 2.92Å; L363-C367 PolarHBondContact O-SG 3.05Å; L364-C367 PolarHBondContact O-N 3.05Å; L364-C367 VanDerWaalsContact O-N 3.13Å; E365-C367 PolarHBondContact O-N 3.29Å; C367-G371 PolarHBondContact O-N 2.8Å; C367-L372 HydrophobicContact CB-CB 4.25Å; C367-L372 WeakPolarHBondContact O-CA 3.19Å; C367-L372 WeakPolarHBondContact O-CB 3.29Å; C367-L372 PolarHBondContact O-N 3.21Å; C367-L373 HydrophobicContact CB-CB 4.37Å; C367-L373 HydrophobicContact CB-CD1 3.64Å; C367-L373 HydrophobicContact CB-CG 3.76Å; C367-L373 PolarHBondContact O-N 3.31Å; C367-L373 VanDerWaalsContact O-N 3.16Å
368V97.7Very high94.8Very high41 Ų4161.2 Ų61.225%0.24834%0.342CS..Hα-helixtrans-66.6-46.7172.11710000110.5L364 E365 A366 L370 G371 L373 T375 F385L364-V368 WeakPolarHBondContact O-CG2 3.5Å; L364-V368 PolarHBondContact O-N 3.16Å; E365-V368 PolarHBondContact O-N 2.99Å; A366-V368 VanDerWaalsContact C-N 3.33Å; A366-V368 PolarHBondContact O-N 3.18Å; V368-L370 VanDerWaalsContact C-N 3.27Å; V368-L370 PolarHBondContact O-N 3.43Å; V368-G371 PolarHBondContact O-N 3.42Å; V368-L373 WeakPolarHBondContact CA-O 3.43Å; V368-L373 HydrophobicContact CG2-CB 3.8Å; V368-T375 HydrophobicContact CG1-CG2 4.15Å; V368-T375 HydrophobicContact CG2-CG2 3.88Å; V368-F385 HydrophobicContact CG2-CD1 3.84Å; V368-F385 HydrophobicContact CG2-CE1 3.87Å
369S96.9Very high93.6Very high109 Ų10964.8 Ų64.876%0.76235%0.351SS*.Hα-helixtrans-58.7-38.4176.5179.60000112.4E365 A366 G371E365-S369 WeakPolarHBondContact O-CB 3.4Å; E365-S369 PolarHBondContact O-N 3.07Å; A366-S369 WeakPolarHBondContact O-CB 3.37Å; A366-S369 PolarHBondContact O-N 3.45Å; S369-G371 PolarHBondContact O-N 3.32Å
370L97.3Very high92.6Very high73 Ų7371 Ų7138%0.38236%0.363SS..THydrogen-bonded Turntrans-77.21.4175.9-65.9170.5000113.9A322 A325 A366 V368 L372A322-L370 HydrophobicContact CB-CD1 4.22Å; A322-L370 HydrophobicContact CB-CD2 3.7Å; A325-L370 HydrophobicContact CB-CD1 4.12Å; A366-L370 WeakPolarHBondContact O-CB 3.31Å; A366-L370 VanDerWaalsContact O-CG 3.22Å; A366-L370 WeakPolarHBondContact O-CG 3.38Å; A366-L370 PolarHBondContact O-N 3.48Å; V368-L370 VanDerWaalsContact C-N 3.27Å; V368-L370 PolarHBondContact O-N 3.43Å; L370-L372 HydrophobicContact CB-CD1 4.28Å; L370-L372 HydrophobicContact CB-CG 3.96Å; L370-L372 HydrophobicContact CD1-CD1 4.46Å; L370-L372 PolarHBondContact O-N 2.98Å
371G97.8Very high91.4Very high40 Ų4077.2 Ų77.241%0.41240%0.404SS..THydrogen-bonded Turntrans69.315.1-17900000114.6C367 V368 S369 A388C367-G371 PolarHBondContact O-N 2.8Å; V368-G371 PolarHBondContact O-N 3.42Å; S369-G371 PolarHBondContact O-N 3.32Å; G371-A388 WeakPolarHBondContact O-CB 3.31Å
372L98.4Very high90.7Very high22 Ų2278.2 Ų78.212%0.11541%0.406CS..SBendtrans-81.6-31177.2-53.1-178.1000111.4L326 F335 C367 L370 A388 A391 L395L326-L372 HydrophobicContact CB-CD1 4.39Å; L326-L372 HydrophobicContact CD1-CD1 3.88Å; F335-L372 HydrophobicContact CE1-CB 4.17Å; F335-L372 HydrophobicContact CZ-CD1 4.37Å; C367-L372 HydrophobicContact CB-CB 4.25Å; C367-L372 WeakPolarHBondContact O-CA 3.19Å; C367-L372 WeakPolarHBondContact O-CB 3.29Å; C367-L372 PolarHBondContact O-N 3.21Å; L370-L372 HydrophobicContact CB-CD1 4.28Å; L370-L372 HydrophobicContact CB-CG 3.96Å; L370-L372 HydrophobicContact CD1-CD1 4.46Å; L370-L372 PolarHBondContact O-N 2.98Å; L372-A388 VanDerWaalsContact O-CB 3.3Å; L372-A388 WeakPolarHBondContact O-CB 3.25Å; L372-A388 PolarHBondContact O-N 2.81Å; L372-A391 WeakPolarHBondContact O-CB 3.46Å; L372-L395 HydrophobicContact CD1-CD1 4.47Å; L372-L395 HydrophobicContact CD2-CD1 3.98Å
373L97.8Very high90.2Very high3 Ų376.3 Ų76.32%0.01640%0.396CS..EExtended strand (participates in β ladder)trans-124.6160.4177.3-60.1-179.1000110.8L334 F335 L338 L364 C367 V368 E386L334-L373 HydrophobicContact CD2-CD1 4.14Å; F335-L373 HydrophobicContact CD1-CD2 4.02Å; F335-L373 HydrophobicContact CE1-CD2 4.02Å; L338-L373 HydrophobicContact CD1-CD1 3.96Å; L338-L373 HydrophobicContact CD1-CD2 3.47Å; L338-L373 VanDerWaalsContact CD1-CD2 3.47Å; L338-L373 HydrophobicContact CD1-CG 4.37Å; L364-L373 HydrophobicContact CD2-CD1 3.54Å; C367-L373 HydrophobicContact CB-CB 4.37Å; C367-L373 HydrophobicContact CB-CD1 3.64Å; C367-L373 HydrophobicContact CB-CG 3.76Å; C367-L373 PolarHBondContact O-N 3.31Å; C367-L373 VanDerWaalsContact O-N 3.16Å; V368-L373 WeakPolarHBondContact CA-O 3.43Å; V368-L373 HydrophobicContact CG2-CB 3.8Å; L373-E386 CarbonylContact C-O 3.56Å; L373-E386 VanDerWaalsContact CA-O 3.27Å; L373-E386 WeakPolarHBondContact CA-O 3.5Å; L373-E386 WeakPolarHBondContact CB-O 3.39Å
374K95.7Very high90Very high82 Ų8275.4 Ų75.436%0.35739%0.393SS..EExtended strand (participates in β ladder)trans-117.9148.9168.5-59.6171.8-176.4168.20108.9E386 A388 D389K374-E386 HydrophobicContact CB-CG 3.77Å; K374-E386 PolarHBondContact N-O 3Å; K374-E386 PolarHBondContact O-N 3.39Å; K374-A388 HydrophobicContact CG-CB 4.24Å; K374-D389 IonicContact NZ-OD1 2.79Å; K374-D389 IonicContact NZ-OD2 3.82Å; K374-D389 PolarHBondContact NZ-OD2 2.69Å
375T93.4Very high90Very high59 Ų5975.9 Ų75.936%0.36240%0.395SS..EExtended strand (participates in β ladder)trans-89.2139.7170.349.80000110.1V368 G384 F385V368-T375 HydrophobicContact CG1-CG2 4.15Å; V368-T375 HydrophobicContact CG2-CG2 3.88Å; T375-G384 CarbonylContact C-O 3.59Å; T375-G384 WeakPolarHBondContact CA-O 3.38Å; T375-F385 HydrophobicContact CG2-CD1 4.16Å; T375-F385 HydrophobicContact CG2-CE1 3.88Å
376R86.4Confident90Very high116 Ų11673.6 Ų73.644%0.43838%0.384SS..EExtended strand (participates in β ladder)trans-113.9142.5177-174.9175.3174.7176.73.9109.9T378 G384R376-T378 PolarHBondContact O-N 3.2Å; R376-G384 PolarHBondContact N-O 2.72Å; R376-G384 PolarHBondContact O-N 2.85Å
377D78.2Confident89.9Confident77 Ų7772.6 Ų72.641%0.41237%0.374SS..  trans52.952.9175.6-65.5-37.6000113.4R379 R380D377-R379 PolarHBondContact O-N 2.97Å; D377-R380 HydrophobicContact CB-CG 4.22Å; D377-R380 WeakPolarHBondContact O-CB 3.28Å; D377-R380 PolarHBondContact O-N 3.36Å
378T74.5Confident89.9Confident105 Ų10572.9 Ų72.964%0.64438%0.376SS*.THydrogen-bonded Turntrans-57.5-8.9178.556.20000115.1R376R376-T378 PolarHBondContact O-N 3.2Å
379R73.3Confident89.9Confident241 Ų24176.4 Ų76.491%0.90939%0.394SS*.THydrogen-bonded Turntrans-83.1-10.7173.9-68.7-176.6-86.4-175.9-5.8113.3D377D377-R379 PolarHBondContact O-N 2.97Å
380R74.9Confident89.9Confident167 Ų16774.5 Ų74.563%0.6338%0.377SS*.SBendtrans-89.6152.1176-68.2-175.1179.3-163.31.1110.8D377 K382D377-R380 HydrophobicContact CB-CG 4.22Å; D377-R380 WeakPolarHBondContact O-CB 3.28Å; D377-R380 PolarHBondContact O-N 3.36Å; R380-K382 PolarHBondContact O-N 3.05Å
381P73.3Confident89.9Confident135 Ų13571 Ų7188%0.87736%0.359SS*.SBendtrans-60.8-28.6177.8-2131.8000113.7
382K82.8Confident89.8Confident111 Ų11170.9 Ų70.948%0.48335%0.352SS..SBendtrans-119.899.9174.1-64.8-173.1-179.6-177.90108.1D345 E347 R380D345-K382 HydrophobicContact CB-CB 4.05Å; D345-K382 WeakPolarHBondContact OD2-CD 3.32Å; E347-K382 IonicContact OE2-NZ 2.8Å; E347-K382 PolarHBondContact OE2-NZ 3.42Å; R380-K382 PolarHBondContact O-N 3.05Å
383P87.8Confident89.8Confident43 Ų4371.9 Ų71.928%0.27936%0.36SS..  trans-67.3142.8176.727.9-33000109.9F385P383-F385 WeakPolarHBondContact O-CE2 3.47Å
384G93.9Very high89.7Confident8 Ų875 Ų758%0.08237%0.374CS..EExtended strand (participates in β ladder)trans-81.5161.2171.100000110.8L344 T375 R376L344-G384 CarbonylContact O-C 3.23Å; L344-G384 WeakPolarHBondContact O-CA 3.3Å; T375-G384 CarbonylContact C-O 3.59Å; T375-G384 WeakPolarHBondContact CA-O 3.38Å; R376-G384 PolarHBondContact N-O 2.72Å; R376-G384 PolarHBondContact O-N 2.85Å
385F96.1Very high89.8Confident11 Ų1171.7 Ų71.75%0.04836%0.36CS..EExtended strand (participates in β ladder)trans-118.9149.6176.7-61.8-94.3000111.5L338 G343 L344 A346 I349 L364 V368 T375 P383L338-F385 HydrophobicContact CD1-CB 4.39Å; L338-F385 HydrophobicContact CD2-CB 4.23Å; G343-F385 WeakPolarHBondContact CA-O 3.48Å; G343-F385 PolarHBondContact N-O 3.11Å; L344-F385 PolarHBondContact O-N 2.87Å; A346-F385 HydrophobicContact CB-CE2 4.31Å; I349-F385 HydrophobicContact CD1-CB 4.08Å; I349-F385 HydrophobicContact CD1-CD2 3.94Å; I349-F385 HydrophobicContact CD1-CG 4.32Å; L364-F385 HydrophobicContact CB-CD1 4.06Å; L364-F385 HydrophobicContact CB-CE1 3.71Å; L364-F385 HydrophobicContact CB-CE2 4.4Å; L364-F385 HydrophobicContact CB-CZ 3.9Å; L364-F385 HydrophobicContact CD1-CD2 3.9Å; L364-F385 HydrophobicContact CD1-CE2 3.82Å; L364-F385 HydrophobicContact CD1-CG 4.33Å; L364-F385 HydrophobicContact CD1-CZ 4.16Å; L364-F385 HydrophobicContact CD2-CB 4.44Å; L364-F385 HydrophobicContact CD2-CD1 4.29Å; L364-F385 HydrophobicContact CD2-CG 4.17Å; V368-F385 HydrophobicContact CG2-CD1 3.84Å; V368-F385 HydrophobicContact CG2-CE1 3.87Å; T375-F385 HydrophobicContact CG2-CD1 4.16Å; T375-F385 HydrophobicContact CG2-CE1 3.88Å; P383-F385 WeakPolarHBondContact O-CE2 3.47Å
386E96.4Very high90Very high65 Ų6570.9 Ų70.930%0.30435%0.35SS..EExtended strand (participates in β ladder)trans-142.6156.2175.266-176-164.700111.1L373 K374L373-E386 CarbonylContact C-O 3.56Å; L373-E386 VanDerWaalsContact CA-O 3.27Å; L373-E386 WeakPolarHBondContact CA-O 3.5Å; L373-E386 WeakPolarHBondContact CB-O 3.39Å; K374-E386 HydrophobicContact CB-CG 3.77Å; K374-E386 PolarHBondContact N-O 3Å; K374-E386 PolarHBondContact O-N 3.39Å
387N97.8Very high90.3Very high16 Ų1668.6 Ų68.69%0.08635%0.352CS..EExtended strand (participates in β ladder)trans-65.3135.6174.3-71-33.8000110.5F335 A391 S392F335-N387 WeakPolarHBondContact CA-OD1 3.37Å; F335-N387 WeakPolarHBondContact CD1-OD1 3.41Å; F335-N387 PolarHBondContact O-ND2 3Å; N387-A391 HydrophobicContact CB-CB 4.22Å; N387-S392 VanDerWaalsContact CB-OG 3.32Å; N387-S392 WeakPolarHBondContact CB-OG 3.47Å
388A97.4Very high91Very high6 Ų669.6 Ų69.65%0.0536%0.357CS..  trans-68.8167.3162.600000110.9G371 L372 K374 V390 A391 S392G371-A388 WeakPolarHBondContact O-CB 3.31Å; L372-A388 VanDerWaalsContact O-CB 3.3Å; L372-A388 WeakPolarHBondContact O-CB 3.25Å; L372-A388 PolarHBondContact O-N 2.81Å; K374-A388 HydrophobicContact CG-CB 4.24Å; A388-V390 VanDerWaalsContact C-N 3.29Å; A388-V390 HydrophobicContact CB-CG1 4.25Å; A388-V390 PolarHBondContact O-N 3.1Å; A388-A391 PolarHBondContact O-N 2.75Å; A388-A391 VanDerWaalsContact O-N 3.13Å; A388-S392 PolarHBondContact O-N 3.47Å; A388-S392 PolarHBondContact O-OG 2.83Å
389D97.1Very high92Very high116 Ų11665.4 Ų65.462%0.6233%0.332SS*.Hα-helixtrans-62.9-38.9-177.4-56-56.9000111.4K374 A391 S392 C393K374-D389 IonicContact NZ-OD1 2.79Å; K374-D389 IonicContact NZ-OD2 3.82Å; K374-D389 PolarHBondContact NZ-OD2 2.69Å; D389-A391 PolarHBondContact O-N 3.12Å; D389-S392 PolarHBondContact O-N 2.96Å; D389-C393 WeakPolarHBondContact O-CB 3.31Å; D389-C393 PolarHBondContact O-N 3.47Å
390V96.9Very high92.8Very high69 Ų6960.9 Ų60.942%0.41832%0.315SS..Hα-helixtrans-61.8-42.4174.368.50000111.9A388 C393 F394A388-V390 VanDerWaalsContact C-N 3.29Å; A388-V390 HydrophobicContact CB-CG1 4.25Å; A388-V390 PolarHBondContact O-N 3.1Å; V390-C393 PolarHBondContact O-N 3.49Å; V390-F394 HydrophobicContact CG2-CD2 3.89Å; V390-F394 HydrophobicContact CG2-CE2 4.42Å; V390-F394 WeakPolarHBondContact O-CD2 3.48Å; V390-F394 PolarHBondContact O-N 3.35Å
391A97.4Very high93.7Very high0 Ų056.2 Ų56.20%030%0.3CS..Hα-helixtrans-69.5-38.8178.100000112F335 L372 N387 A388 D389 C393 L395 R396F335-A391 HydrophobicContact CD1-CB 3.84Å; F335-A391 HydrophobicContact CE1-CB 4.07Å; L372-A391 WeakPolarHBondContact O-CB 3.46Å; N387-A391 HydrophobicContact CB-CB 4.22Å; A388-A391 PolarHBondContact O-N 2.75Å; A388-A391 VanDerWaalsContact O-N 3.13Å; D389-A391 PolarHBondContact O-N 3.12Å; A391-C393 VanDerWaalsContact C-N 3.29Å; A391-C393 PolarHBondContact O-N 2.97Å; A391-L395 HydrophobicContact CB-CB 4.28Å; A391-L395 HydrophobicContact CB-CD1 3.88Å; A391-L395 HydrophobicContact CB-CG 4.28Å; A391-L395 WeakPolarHBondContact O-CA 3.39Å; A391-L395 WeakPolarHBondContact O-CB 3.14Å; A391-L395 PolarHBondContact O-N 3.02Å; A391-R396 PolarHBondContact O-N 3.43Å
392S96.9Very high94.8Very high37 Ų3750.2 Ų50.226%0.25926%0.261SS..Hα-helixtrans-63.4-36.9174.7-65.10000112.1N387 A388 D389N387-S392 VanDerWaalsContact CB-OG 3.32Å; N387-S392 WeakPolarHBondContact CB-OG 3.47Å; A388-S392 PolarHBondContact O-N 3.47Å; A388-S392 PolarHBondContact O-OG 2.83Å; D389-S392 PolarHBondContact O-N 2.96Å
393C96.6Very high95.4Very high43 Ų4346.7 Ų46.729%0.29125%0.247SC..Hα-helixtrans-77.1-43.1179.6-167.50000112.7D389 V390 A391 S399D389-C393 WeakPolarHBondContact O-CB 3.31Å; D389-C393 PolarHBondContact O-N 3.47Å; V390-C393 PolarHBondContact O-N 3.49Å; A391-C393 VanDerWaalsContact C-N 3.29Å; A391-C393 PolarHBondContact O-N 2.97Å; C393-S399 WeakPolarHBondContact O-CB 3.44Å; C393-S399 PolarHBondContact O-OG 3.47Å
394F97.6Very high95.8Very high69 Ų6945.5 Ų45.530%0.30324%0.238SC..Hα-helixtrans-118.1-18.8-166.5-60.1-71.2000115.6V390 F401 S402 L403V390-F394 HydrophobicContact CG2-CD2 3.89Å; V390-F394 HydrophobicContact CG2-CE2 4.42Å; V390-F394 WeakPolarHBondContact O-CD2 3.48Å; V390-F394 PolarHBondContact O-N 3.35Å; F394-F401 HydrophobicContact CD1-CB 3.97Å; F394-F401 WeakPolarHBondContact CD1-O 3.22Å; F394-F401 HydrophobicContact CE1-CB 3.93Å; F394-S402 CarbonylContact O-C 3.39Å; F394-S402 WeakPolarHBondContact O-CA 3.43Å; F394-L403 HydrophobicContact CB-CD1 4.45Å; F394-L403 HydrophobicContact CD1-CD1 4.41Å; F394-L403 PolarHBondContact O-N 3.39Å
395L97.7Very high95.9Very high12 Ų1246.2 Ų46.26%0.06324%0.243CC..THydrogen-bonded Turntrans-108.1-21.6-168.9-55.4-175000114.6L326 F335 L372 A391 I407L326-L395 HydrophobicContact CD1-CD1 3.66Å; L326-L395 HydrophobicContact CD1-CD2 3.86Å; L326-L395 HydrophobicContact CD1-CG 4.43Å; F335-L395 HydrophobicContact CB-CB 4.4Å; F335-L395 HydrophobicContact CD1-CB 4.28Å; F335-L395 HydrophobicContact CD1-CD1 4.37Å; F335-L395 HydrophobicContact CD2-CB 3.55Å; F335-L395 HydrophobicContact CD2-CD1 4.32Å; F335-L395 HydrophobicContact CE1-CD1 3.83Å; F335-L395 HydrophobicContact CE2-CB 3.81Å; F335-L395 HydrophobicContact CE2-CD1 3.78Å; F335-L395 HydrophobicContact CE2-CG 4.37Å; F335-L395 HydrophobicContact CG-CB 3.81Å; F335-L395 HydrophobicContact CZ-CB 4.29Å; F335-L395 HydrophobicContact CZ-CD1 3.51Å; L372-L395 HydrophobicContact CD1-CD1 4.47Å; L372-L395 HydrophobicContact CD2-CD1 3.98Å; A391-L395 HydrophobicContact CB-CB 4.28Å; A391-L395 HydrophobicContact CB-CD1 3.88Å; A391-L395 HydrophobicContact CB-CG 4.28Å; A391-L395 WeakPolarHBondContact O-CA 3.39Å; A391-L395 WeakPolarHBondContact O-CB 3.14Å; A391-L395 PolarHBondContact O-N 3.02Å; L395-I407 HydrophobicContact CD2-CD1 3.32Å
396R96.6Very high96Very high41 Ų4147.7 Ų47.716%0.15525%0.249CC..SBendtrans-64.7138.6169.8-74.3170.649-179.91111.4F335 D336 H339 A391 D398 S399 S402F335-R396 HydrophobicContact CB-CG 4.3Å; D336-R396 WeakPolarHBondContact OD1-CA 2.79Å; H339-R396 HydrophobicContact CB-CG 4.43Å; H339-R396 PolarHBondContact CD2-NH2 3.23Å; H339-R396 VanDerWaalsContact CE1-CZ 3.47Å; H339-R396 PolarHBondContact CE1-NH1 3.39Å; H339-R396 VanDerWaalsContact CG-CZ 3.43Å; H339-R396 PolarHBondContact ND1-NH1 3.08Å; H339-R396 PolarHBondContact NE2-NH1 2.89Å; H339-R396 PolarHBondContact NE2-NH2 2.86Å; A391-R396 PolarHBondContact O-N 3.43Å; R396-D398 VanDerWaalsContact C-N 3.3Å; R396-D398 WeakPolarHBondContact CB-OD1 3.23Å; R396-D398 IonicContact CZ-OD1 3.99Å; R396-D398 VanDerWaalsContact CZ-OD1 3.25Å; R396-D398 IonicContact CZ-OD2 2.81Å; R396-D398 IonicContact NE-OD1 2.78Å; R396-D398 PolarHBondContact NE-OD1 3.47Å; R396-D398 IonicContact NE-OD2 2.76Å; R396-D398 IonicContact NH2-OD1 2.92Å; R396-D398 PolarHBondContact NH2-OD1 3.13Å; R396-D398 IonicContact NH2-OD2 2.68Å; R396-D398 PolarHBondContact NH2-OD2 3.42Å; R396-D398 PolarHBondContact O-N 2.79Å; R396-S399 PolarHBondContact O-N 3.14Å; R396-S402 WeakPolarHBondContact O-CB 3.38Å; R396-S402 PolarHBondContact O-OG 3.17Å
397S93.8Very high96Very high69 Ų6945.2 Ų45.248%0.48324%0.238SC..THydrogen-bonded Turntrans-69.2-27.4-178.956.80000113.4D336D336-S397 PolarHBondContact OD1-N 3.11Å; D336-S397 PolarHBondContact OD1-OG 3.08Å; D336-S397 VanDerWaalsContact OD1-OG 3.09Å; D336-S397 WeakPolarHBondContact OD2-CB 3.49Å; D336-S397 PolarHBondContact OD2-OG 3.44Å
398D92.3Very high95.9Very high98 Ų9846.8 Ų46.852%0.52425%0.246SC..THydrogen-bonded Turntrans-90.4-5.3-179.969.2-15.5000114.2R396R396-D398 VanDerWaalsContact C-N 3.3Å; R396-D398 WeakPolarHBondContact CB-OD1 3.23Å; R396-D398 IonicContact CZ-OD1 3.99Å; R396-D398 VanDerWaalsContact CZ-OD1 3.25Å; R396-D398 IonicContact CZ-OD2 2.81Å; R396-D398 IonicContact NE-OD1 2.78Å; R396-D398 PolarHBondContact NE-OD1 3.47Å; R396-D398 IonicContact NE-OD2 2.76Å; R396-D398 IonicContact NH2-OD1 2.92Å; R396-D398 PolarHBondContact NH2-OD1 3.13Å; R396-D398 IonicContact NH2-OD2 2.68Å; R396-D398 PolarHBondContact NH2-OD2 3.42Å; R396-D398 PolarHBondContact O-N 2.79Å
399S94.5Very high95.7Very high17 Ų1747.4 Ų47.412%0.11925%0.247CC..SBendtrans-66.3144.3-179.1178.60000112C393 R396 F401 S402C393-S399 WeakPolarHBondContact O-CB 3.44Å; C393-S399 PolarHBondContact O-OG 3.47Å; R396-S399 PolarHBondContact O-N 3.14Å; S399-F401 PolarHBondContact O-N 3.32Å; S399-F401 PolarHBondContact OG-N 2.88Å; S399-S402 WeakPolarHBondContact O-CB 3.46Å; S399-S402 PolarHBondContact O-N 3.41Å; S399-S402 VanDerWaalsContact O-N 3.13Å
400R90.4Very high95.5Very high146 Ų14642.9 Ų42.955%0.55123%0.225SC*.THydrogen-bonded Turntrans-54.1-39.5172.9-179.2175.1173.7-171-8.5111.9K458R400-K458 WeakPolarHBondContact O-CE 3.46Å; R400-K458 PolarHBondContact O-NZ 3.16Å
401F94.3Very high95.4Very high69 Ų6940.3 Ų40.330%0.30321%0.209SC..THydrogen-bonded Turntrans-105.525.3-178.5-58-67.2000112.7F394 S399 L403 V459F394-F401 HydrophobicContact CD1-CB 3.97Å; F394-F401 WeakPolarHBondContact CD1-O 3.22Å; F394-F401 HydrophobicContact CE1-CB 3.93Å; S399-F401 PolarHBondContact O-N 3.32Å; S399-F401 PolarHBondContact OG-N 2.88Å; F401-L403 PolarHBondContact O-N 2.91Å; F401-V459 HydrophobicContact CB-CG2 4.38Å
402S95.9Very high95Very high8 Ų843.2 Ų43.26%0.05622%0.224CC..  trans-54.8129.2-179.2-169.60000112.2F394 R396 S399 N404 S455F394-S402 CarbonylContact O-C 3.39Å; F394-S402 WeakPolarHBondContact O-CA 3.43Å; R396-S402 WeakPolarHBondContact O-CB 3.38Å; R396-S402 PolarHBondContact O-OG 3.17Å; S399-S402 WeakPolarHBondContact O-CB 3.46Å; S399-S402 PolarHBondContact O-N 3.41Å; S399-S402 VanDerWaalsContact O-N 3.13Å; S402-N404 VanDerWaalsContact OG-CB 3.3Å; S402-N404 WeakPolarHBondContact OG-CB 3.19Å; S402-N404 PolarHBondContact OG-N 3.3Å; S402-S455 VanDerWaalsContact O-CB 3.26Å; S402-S455 WeakPolarHBondContact O-CB 3.49Å
403L97.1Very high94.6Very high38 Ų3844.1 Ų44.120%0.19923%0.228CC..  trans-101.56.3168.3-70.9175.2000111.8F394 F401 A405 Y406 I407 V459F394-L403 HydrophobicContact CB-CD1 4.45Å; F394-L403 HydrophobicContact CD1-CD1 4.41Å; F394-L403 PolarHBondContact O-N 3.39Å; F401-L403 PolarHBondContact O-N 2.91Å; L403-A405 PolarHBondContact O-N 2.9Å; L403-Y406 WeakPolarHBondContact O-CA 3.41Å; L403-Y406 WeakPolarHBondContact O-CB 3.47Å; L403-Y406 PolarHBondContact O-N 2.81Å; L403-I407 HydrophobicContact CB-CD1 4.35Å; L403-I407 WeakPolarHBondContact O-CG1 3.48Å; L403-I407 PolarHBondContact O-N 2.68Å; L403-V459 HydrophobicContact CD2-CG2 3.76Å; L403-V459 HydrophobicContact CG-CG2 4.11Å
404N96.2Very high94.2Very high18 Ų1843.4 Ų43.410%0.09622%0.222CC..Hα-helixtrans-53-49.6-174.3179.9-88.4000112.3S402 Y406 I407 L408S402-N404 VanDerWaalsContact OG-CB 3.3Å; S402-N404 WeakPolarHBondContact OG-CB 3.19Å; S402-N404 PolarHBondContact OG-N 3.3Å; N404-Y406 VanDerWaalsContact C-N 3.3Å; N404-Y406 PolarHBondContact O-N 3.45Å; N404-I407 WeakPolarHBondContact O-CB 3.33Å; N404-I407 PolarHBondContact O-N 2.88Å; N404-I407 VanDerWaalsContact O-N 3.17Å; N404-L408 WeakPolarHBondContact O-CG 3.27Å; N404-L408 PolarHBondContact O-N 3.44Å
405A95.8Very high93.9Very high22 Ų2244 Ų4418%0.18222%0.222CC..Hα-helixtrans-66.6-31.9179.700000112.9L403 L408 H409 H451 S455L403-A405 PolarHBondContact O-N 2.9Å; A405-L408 PolarHBondContact O-N 2.92Å; A405-H409 PolarHBondContact O-N 3.31Å; A405-H451 HydrophobicContact CB-CB 3.8Å; A405-S455 WeakPolarHBondContact CB-OG 3.4Å
406Y96.4Very high93.5Very high43 Ų4345 Ų4517%0.16923%0.229CC..Hα-helixtrans-68.4-40.2174.1-169-98.2000111.3L403 N404 H409 C410 A452 M453L403-Y406 WeakPolarHBondContact O-CA 3.41Å; L403-Y406 WeakPolarHBondContact O-CB 3.47Å; L403-Y406 PolarHBondContact O-N 2.81Å; N404-Y406 VanDerWaalsContact C-N 3.3Å; N404-Y406 PolarHBondContact O-N 3.45Å; Y406-H409 WeakPolarHBondContact O-CB 3.32Å; Y406-H409 PolarHBondContact O-N 3.3Å; Y406-C410 PolarHBondContact O-N 2.82Å; Y406-C410 PolarHBondContact O-SG 3.35Å; Y406-C410 VanDerWaalsContact O-SG 3.33Å; Y406-A452 HydrophobicContact CD2-CB 4.22Å; Y406-M453 HydrophobicContact CD2-CE 4.05Å; Y406-M453 HydrophobicContact CE2-CE 3.81Å
407I97.3Very high93.1Very high13 Ų1343.5 Ų43.57%0.06722%0.224CC..Hα-helixtrans-61.5-44.5174.3-70.7164.6000111.3L326 F327 L395 L403 N404 H409 C410 N411L326-I407 HydrophobicContact CD1-CD1 4.18Å; L326-I407 HydrophobicContact CD2-CD1 4.28Å; L326-I407 HydrophobicContact CG-CD1 4.32Å; L326-I407 HydrophobicContact CG-CG2 4.43Å; F327-I407 HydrophobicContact CD1-CG2 3.61Å; F327-I407 HydrophobicContact CE1-CG2 4.24Å; F327-I407 HydrophobicContact CG-CG2 4.43Å; L395-I407 HydrophobicContact CD2-CD1 3.32Å; L403-I407 HydrophobicContact CB-CD1 4.35Å; L403-I407 WeakPolarHBondContact O-CG1 3.48Å; L403-I407 PolarHBondContact O-N 2.68Å; N404-I407 WeakPolarHBondContact O-CB 3.33Å; N404-I407 PolarHBondContact O-N 2.88Å; N404-I407 VanDerWaalsContact O-N 3.17Å; I407-H409 VanDerWaalsContact C-N 3.32Å; I407-H409 PolarHBondContact O-N 3.21Å; I407-C410 WeakPolarHBondContact O-CB 3.43Å; I407-C410 PolarHBondContact O-N 3.13Å; I407-N411 PolarHBondContact O-N 2.91Å
408L95.2Very high92.9Very high48 Ų4843.7 Ų43.725%0.25122%0.217SC..Hα-helixtrans-62.9-39.4176.1-64.7179.5000111.6K331 N404 A405 N411 D412K331-L408 HydrophobicContact CB-CD2 3.99Å; K331-L408 HydrophobicContact CG-CD2 4.46Å; N404-L408 WeakPolarHBondContact O-CG 3.27Å; N404-L408 PolarHBondContact O-N 3.44Å; A405-L408 PolarHBondContact O-N 2.92Å; L408-N411 PolarHBondContact O-N 3.1Å; L408-D412 WeakPolarHBondContact O-CB 3.49Å; L408-D412 PolarHBondContact O-N 3.24Å
409H93.6Very high92.7Very high19 Ų1942.8 Ų42.89%0.08822%0.218CC..Hα-helixtrans-63.2-41.1172.417768000112.7A405 Y406 I407 N411 T413 L414 F449 A452A405-H409 PolarHBondContact O-N 3.31Å; Y406-H409 WeakPolarHBondContact O-CB 3.32Å; Y406-H409 PolarHBondContact O-N 3.3Å; I407-H409 VanDerWaalsContact C-N 3.32Å; I407-H409 PolarHBondContact O-N 3.21Å; H409-N411 VanDerWaalsContact C-N 3.29Å; H409-N411 PolarHBondContact O-N 3.1Å; H409-T413 PolarHBondContact ND1-OG1 3.03Å; H409-T413 WeakPolarHBondContact O-CA 3.47Å; H409-T413 VanDerWaalsContact O-CB 3.29Å; H409-T413 WeakPolarHBondContact O-CB 3.33Å; H409-T413 PolarHBondContact O-N 3.38Å; H409-L414 PolarHBondContact O-N 3.45Å; H409-F449 AromaticContact CE1-CD2 3.92Å; H409-A452 HydrophobicContact CB-CB 3.53Å
410C93.9Very high92.4Very high22 Ų2245.4 Ų45.415%0.14923%0.228CC..Iπ-helixtrans-58.1-43.2172.2-69.60000111.4F327 Y406 I407 L414 W415F327-C410 HydrophobicContact CE1-CB 3.99Å; F327-C410 HydrophobicContact CE2-CB 4.19Å; F327-C410 HydrophobicContact CZ-CB 3.63Å; Y406-C410 PolarHBondContact O-N 2.82Å; Y406-C410 PolarHBondContact O-SG 3.35Å; Y406-C410 VanDerWaalsContact O-SG 3.33Å; I407-C410 WeakPolarHBondContact O-CB 3.43Å; I407-C410 PolarHBondContact O-N 3.13Å; C410-L414 PolarHBondContact O-N 2.89Å; C410-W415 WeakPolarHBondContact O-CB 3.28Å; C410-W415 PolarHBondContact O-N 2.97Å
411N94.6Very high92.3Very high14 Ų1440.7 Ų40.78%0.07521%0.214CC..Iπ-helixtrans-70.5-46.9-179.3-176.162.6000114K324 F327 I407 L408 H409 W415K324-N411 PolarHBondContact NZ-OD1 3.39Å; F327-N411 HydrophobicContact CB-CB 3.82Å; F327-N411 HydrophobicContact CD2-CB 3.7Å; F327-N411 HydrophobicContact CE2-CB 4.48Å; F327-N411 HydrophobicContact CG-CB 3.85Å; I407-N411 PolarHBondContact O-N 2.91Å; L408-N411 PolarHBondContact O-N 3.1Å; H409-N411 VanDerWaalsContact C-N 3.29Å; H409-N411 PolarHBondContact O-N 3.1Å; N411-W415 WeakPolarHBondContact O-CB 3.5Å
412D88.9Confident91.9Very high62 Ų6245 Ų4533%0.33223%0.234SC..Iπ-helixtrans-91.4-19-169-65.7-19.7000112.1K331 L408K331-D412 IonicContact NZ-OD1 2.72Å; K331-D412 PolarHBondContact NZ-OD1 3.01Å; K331-D412 IonicContact NZ-OD2 3.49Å; L408-D412 WeakPolarHBondContact O-CB 3.49Å; L408-D412 PolarHBondContact O-N 3.24Å
413T87.2Confident91.4Very high56 Ų5646.1 Ų46.134%0.34424%0.242SC..Iπ-helixtrans-120.6-54.4-177.9-48.50000113.3H409 P416 V417H409-T413 PolarHBondContact ND1-OG1 3.03Å; H409-T413 WeakPolarHBondContact O-CA 3.47Å; H409-T413 VanDerWaalsContact O-CB 3.29Å; H409-T413 WeakPolarHBondContact O-CB 3.33Å; H409-T413 PolarHBondContact O-N 3.38Å; T413-P416 WeakPolarHBondContact O-CD 3.48Å; T413-V417 WeakPolarHBondContact O-CG2 3.3Å
414L89Confident90.8Very high28 Ų2844.9 Ų44.915%0.14724%0.238CC..Iπ-helixtrans-75.4-38.7-173.9-61.9178.6000112.6H409 C410 V417 F418H409-L414 PolarHBondContact O-N 3.45Å; C410-L414 PolarHBondContact O-N 2.89Å; L414-V417 WeakPolarHBondContact O-CA 3.34Å; L414-V417 WeakPolarHBondContact O-CB 3.26Å; L414-V417 PolarHBondContact O-N 3.22Å; L414-F418 WeakPolarHBondContact O-CD2 3.38Å; L414-F418 PolarHBondContact O-N 3.4Å
415W91.8Very high90.3Very high81 Ų8148.9 Ų48.931%0.30726%0.263SS..Hα-helixtrans-57.1-48-179.6178.9-80.1000112.9F320 K324 F327 C410 N411 V417 F418 S419F320-W415 HydrophobicContact CB-CH2 3.97Å; F320-W415 HydrophobicContact CB-CZ3 4.38Å; F320-W415 AromaticContact CD2-CH2 4Å; F320-W415 HydrophobicContact CD2-CH2 4Å; F320-W415 HydrophobicContact CG-CH2 4.49Å; F320-W415 WeakPolarHBondContact O-CH2 3.49Å; K324-W415 HydrophobicContact CB-CH2 3.99Å; K324-W415 HydrophobicContact CB-CZ3 4.4Å; K324-W415 HydrophobicContact CD-CD2 4.31Å; K324-W415 HydrophobicContact CD-CE3 4.48Å; K324-W415 HydrophobicContact CD-CH2 4.11Å; K324-W415 HydrophobicContact CD-CZ2 3.98Å; K324-W415 HydrophobicContact CD-CZ3 4.37Å; K324-W415 HydrophobicContact CG-CH2 4.38Å; K324-W415 HydrophobicContact CG-CZ2 4.43Å; F327-W415 HydrophobicContact CD2-CE3 4.27Å; F327-W415 AromaticContact CE2-CE3 3.78Å; F327-W415 HydrophobicContact CE2-CE3 3.78Å; F327-W415 HydrophobicContact CE2-CZ3 4.33Å; C410-W415 WeakPolarHBondContact O-CB 3.28Å; C410-W415 PolarHBondContact O-N 2.97Å; N411-W415 WeakPolarHBondContact O-CB 3.5Å; W415-V417 VanDerWaalsContact C-N 3.3Å; W415-V417 PolarHBondContact O-N 2.95Å; W415-F418 PolarHBondContact O-N 3.23Å; W415-S419 PolarHBondContact O-N 3.14Å
416P89.2Confident89.7Confident33 Ų3357.4 Ų57.421%0.21429%0.29CS..Hα-helixtrans-57.4-38.7171.2-27.234.9000114.1T413 F418 S419 H420 V435T413-P416 WeakPolarHBondContact O-CD 3.48Å; P416-F418 PolarHBondContact O-N 3.33Å; P416-S419 WeakPolarHBondContact O-CB 3.38Å; P416-S419 PolarHBondContact O-N 2.75Å; P416-S419 PolarHBondContact O-OG 2.91Å; P416-H420 PolarHBondContact O-CD2 3.35Å; P416-H420 VanDerWaalsContact O-CD2 3.3Å; P416-V435 HydrophobicContact CB-CB 4.34Å; P416-V435 HydrophobicContact CB-CG1 3.39Å; P416-V435 HydrophobicContact CB-CG2 3.92Å; P416-V435 HydrophobicContact CG-CG1 4.28Å
417V86.8Confident89Confident9 Ų959.7 Ų59.76%0.05530%0.303CS..Hα-helixtrans-63.2-44.9177.4175.20000110.7T413 L414 W415 S419 H420 R432 V435T413-V417 WeakPolarHBondContact O-CG2 3.3Å; L414-V417 WeakPolarHBondContact O-CA 3.34Å; L414-V417 WeakPolarHBondContact O-CB 3.26Å; L414-V417 PolarHBondContact O-N 3.22Å; W415-V417 VanDerWaalsContact C-N 3.3Å; W415-V417 PolarHBondContact O-N 2.95Å; V417-S419 VanDerWaalsContact C-N 3.27Å; V417-S419 PolarHBondContact O-N 2.73Å; V417-H420 PolarHBondContact O-N 3.05Å; V417-R432 HydrophobicContact CG1-CG 4.42Å; V417-R432 HydrophobicContact CG2-CG 3.81Å; V417-V435 HydrophobicContact CG2-CG2 4Å
418F90.1Very high88.1Confident74 Ų7462.4 Ų62.433%0.32533%0.333SS..Hα-helixtrans-68.2-25177.3-87.1-95.9000113.1L414 W415 P416 H420 L421 L591 L594L414-F418 WeakPolarHBondContact O-CD2 3.38Å; L414-F418 PolarHBondContact O-N 3.4Å; W415-F418 PolarHBondContact O-N 3.23Å; P416-F418 PolarHBondContact O-N 3.33Å; F418-H420 PolarHBondContact O-N 3.38Å; F418-L421 HydrophobicContact CD1-CD2 4.2Å; F418-L421 VanDerWaalsContact O-CB 3.23Å; F418-L421 WeakPolarHBondContact O-CB 3.36Å; F418-L421 PolarHBondContact O-N 3.03Å; F418-L421 VanDerWaalsContact O-N 3.09Å; F418-L591 WeakPolarHBondContact CZ-O 3.31Å; F418-L594 HydrophobicContact CE1-CB 4.25Å; F418-L594 HydrophobicContact CE1-CD1 4.43Å; F418-L594 HydrophobicContact CZ-CB 4.39Å
419S89.4Confident87Confident79 Ų7963.7 Ų63.755%0.55234%0.343SS*.THydrogen-bonded Turntrans-65.2-14.8171.279.10000113.5W415 P416 V417W415-S419 PolarHBondContact O-N 3.14Å; P416-S419 WeakPolarHBondContact O-CB 3.38Å; P416-S419 PolarHBondContact O-N 2.75Å; P416-S419 PolarHBondContact O-OG 2.91Å; V417-S419 VanDerWaalsContact C-N 3.27Å; V417-S419 PolarHBondContact O-N 2.73Å
420H86.9Confident86Confident71 Ų7163.8 Ų63.833%0.32935%0.346SS..THydrogen-bonded Turntrans-110.117.5174-63.1-64.2000113.2P416 V417 F418 E422 S423 A424 Q431P416-H420 PolarHBondContact O-CD2 3.35Å; P416-H420 VanDerWaalsContact O-CD2 3.3Å; V417-H420 PolarHBondContact O-N 3.05Å; F418-H420 PolarHBondContact O-N 3.38Å; H420-E422 PolarHBondContact O-N 3.19Å; H420-S423 WeakPolarHBondContact O-CB 3.43Å; H420-S423 PolarHBondContact O-N 3.02Å; H420-A424 PolarHBondContact O-N 3Å; H420-A424 VanDerWaalsContact O-N 3.16Å; H420-Q431 HydrophobicContact CB-CB 3.85Å; H420-Q431 HydrophobicContact CB-CG 4.16Å
421L88.6Confident85.1Confident48 Ų4862.9 Ų62.925%0.25134%0.34SS..Hα-helixtrans-56-36.6-175.5179.259.7000113.1F418 S423 A424 V425 L594F418-L421 HydrophobicContact CD1-CD2 4.2Å; F418-L421 VanDerWaalsContact O-CB 3.23Å; F418-L421 WeakPolarHBondContact O-CB 3.36Å; F418-L421 PolarHBondContact O-N 3.03Å; F418-L421 VanDerWaalsContact O-N 3.09Å; L421-S423 VanDerWaalsContact C-N 3.26Å; L421-S423 PolarHBondContact O-N 3.48Å; L421-A424 HydrophobicContact CD1-CB 4.29Å; L421-A424 WeakPolarHBondContact O-CA 3.44Å; L421-A424 WeakPolarHBondContact O-CB 3.32Å; L421-A424 PolarHBondContact O-N 2.98Å; L421-V425 HydrophobicContact CD1-CG2 4.05Å; L421-V425 HydrophobicContact CG-CG2 4.3Å; L421-V425 WeakPolarHBondContact O-CG2 3.3Å; L421-V425 PolarHBondContact O-N 3.31Å; L421-L594 HydrophobicContact CD1-CB 3.8Å; L421-L594 HydrophobicContact CD1-CD1 4.46Å; L421-L594 HydrophobicContact CD1-CD2 4.43Å; L421-L594 HydrophobicContact CD1-CG 4.46Å; L421-L594 HydrophobicContact CD2-CD1 4.23Å
422E87.1Confident83.9Confident158 Ų15867.3 Ų67.374%0.73836%0.355SS*.Hα-helixtrans-56.1-41.3175.8-64.1177.4-17400112.7H420 R426H420-E422 PolarHBondContact O-N 3.19Å; E422-R426 WeakPolarHBondContact O-CB 3.15Å; E422-R426 PolarHBondContact O-N 2.97Å
423S84.3Confident82.5Confident32 Ų3268 Ų6822%0.22438%0.377CS..Hα-helixtrans-70.8-39176.4-61.80000110.9H420 L421 V425 R426 E427 Q431H420-S423 WeakPolarHBondContact O-CB 3.43Å; H420-S423 PolarHBondContact O-N 3.02Å; L421-S423 VanDerWaalsContact C-N 3.26Å; L421-S423 PolarHBondContact O-N 3.48Å; S423-V425 VanDerWaalsContact C-N 3.32Å; S423-V425 PolarHBondContact O-N 3.02Å; S423-R426 PolarHBondContact O-N 3.14Å; S423-E427 VanDerWaalsContact O-CB 3.28Å; S423-E427 WeakPolarHBondContact O-CB 3.18Å; S423-E427 VanDerWaalsContact O-CG 3.32Å; S423-E427 WeakPolarHBondContact O-CG 3.22Å; S423-E427 PolarHBondContact O-N 3.21Å; S423-Q431 VanDerWaalsContact CB-OE1 3.25Å
424A84.4Confident81Confident12 Ų1270.1 Ų70.110%0.09938%0.382CS..Hα-helixtrans-58.2-46.3177.100000111.5H420 L421 G428 T429 Q431H420-A424 PolarHBondContact O-N 3Å; H420-A424 VanDerWaalsContact O-N 3.16Å; L421-A424 HydrophobicContact CD1-CB 4.29Å; L421-A424 WeakPolarHBondContact O-CA 3.44Å; L421-A424 WeakPolarHBondContact O-CB 3.32Å; L421-A424 PolarHBondContact O-N 2.98Å; A424-G428 WeakPolarHBondContact O-CA 3.46Å; A424-G428 PolarHBondContact O-N 3.28Å; A424-T429 WeakPolarHBondContact CA-O 3.46Å; A424-T429 PolarHBondContact O-N 3.19Å; A424-Q431 HydrophobicContact CB-CG 3.52Å
425V85.6Confident79.4Confident103 Ų10370.7 Ų70.762%0.62439%0.386SS*.Hα-helixtrans-66.6-44.1178.9174.20000111L421 S423 E427L421-V425 HydrophobicContact CD1-CG2 4.05Å; L421-V425 HydrophobicContact CG-CG2 4.3Å; L421-V425 WeakPolarHBondContact O-CG2 3.3Å; L421-V425 PolarHBondContact O-N 3.31Å; S423-V425 VanDerWaalsContact C-N 3.32Å; S423-V425 PolarHBondContact O-N 3.02Å; V425-E427 VanDerWaalsContact C-N 3.33Å; V425-E427 PolarHBondContact O-N 3Å
426R82.8Confident77.2Confident200 Ų20074.5 Ų74.576%0.75541%0.405SS*.Hα-helixtrans-65.3-36.4-180-172.7178.6-66.4150.43112.8E422 S423E422-R426 WeakPolarHBondContact O-CB 3.15Å; E422-R426 PolarHBondContact O-N 2.97Å; S423-R426 PolarHBondContact O-N 3.14Å
427E81.7Confident74.6Confident92 Ų9277.1 Ų77.143%0.4343%0.429SS..Hα-helixtrans-96.7-13.1-173-65170.4-173.500113.3S423 V425 T429 Q431 K434S423-E427 VanDerWaalsContact O-CB 3.28Å; S423-E427 WeakPolarHBondContact O-CB 3.18Å; S423-E427 VanDerWaalsContact O-CG 3.32Å; S423-E427 WeakPolarHBondContact O-CG 3.22Å; S423-E427 PolarHBondContact O-N 3.21Å; V425-E427 VanDerWaalsContact C-N 3.33Å; V425-E427 PolarHBondContact O-N 3Å; E427-T429 PolarHBondContact O-N 2.93Å; E427-Q431 PolarHBondContact OE2-NE2 3.37Å; E427-Q431 PolarHBondContact OE2-OE1 3.36Å; E427-K434 IonicContact OE1-NZ 3.32Å; E427-K434 PolarHBondContact OE1-NZ 3Å; E427-K434 IonicContact OE2-NZ 2.81Å; E427-K434 PolarHBondContact OE2-NZ 3.36Å
428G79Confident72.1Confident69 Ų6980.3 Ų80.371%0.71145%0.452SS*.THydrogen-bonded Turntrans64.121.9-174.900000113.8A424A424-G428 WeakPolarHBondContact O-CA 3.46Å; A424-G428 PolarHBondContact O-N 3.28Å
429T72.9Confident69.3Low75 Ų7584.5 Ų84.546%0.4648%0.484SS..SBendtrans-138148.6-175.955.30000111.5A424 E427 Q431A424-T429 WeakPolarHBondContact CA-O 3.46Å; A424-T429 PolarHBondContact O-N 3.19Å; E427-T429 PolarHBondContact O-N 2.93Å; T429-Q431 PolarHBondContact O-NE2 3.45Å
430S72.9Confident66.9Low22 Ų2288.4 Ų88.415%0.15449%0.494CS..  trans-64.5140.1177.3-177.80000112.2R432 S595 M596S430-R432 VanDerWaalsContact C-N 3.3Å; S430-R432 PolarHBondContact O-N 3.15Å; S430-R432 WeakPolarHBondContact OG-CG 3.4Å; S430-R432 PolarHBondContact OG-N 2.85Å; S430-S595 PolarHBondContact OG-O 3.41Å; S430-S595 VanDerWaalsContact OG-O 3.05Å; S430-M596 WeakPolarHBondContact CB-O 3.49Å
431Q74.6Confident65.3Low3 Ų390.5 Ų90.51%0.01451%0.506CS..G310 helixtrans-92.911.7-177.6-54.3-65.4-59.100112.6H420 S423 A424 E427 T429 G433 K434 V435H420-Q431 HydrophobicContact CB-CB 3.85Å; H420-Q431 HydrophobicContact CB-CG 4.16Å; S423-Q431 VanDerWaalsContact CB-OE1 3.25Å; A424-Q431 HydrophobicContact CB-CG 3.52Å; E427-Q431 PolarHBondContact OE2-NE2 3.37Å; E427-Q431 PolarHBondContact OE2-OE1 3.36Å; T429-Q431 PolarHBondContact O-NE2 3.45Å; Q431-G433 PolarHBondContact O-N 3.33Å; Q431-G433 VanDerWaalsContact O-N 3.14Å; Q431-K434 PolarHBondContact O-N 3.37Å; Q431-V435 PolarHBondContact O-N 3.45Å
432R69.1Low64.2Low106 Ų10691 Ų9140%0.451%0.513SS..G310 helixtrans-51.7-34.8174.9-76.7171.3-175.8-105.43.8112.5V417 S430 K434 S595V417-R432 HydrophobicContact CG1-CG 4.42Å; V417-R432 HydrophobicContact CG2-CG 3.81Å; S430-R432 VanDerWaalsContact C-N 3.3Å; S430-R432 PolarHBondContact O-N 3.15Å; S430-R432 WeakPolarHBondContact OG-CG 3.4Å; S430-R432 PolarHBondContact OG-N 2.85Å; R432-K434 VanDerWaalsContact C-N 3.33Å; R432-K434 PolarHBondContact O-N 2.76Å; R432-S595 PolarHBondContact NE-O 3.26Å
433G59Low63.7Low76 Ų7689.6 Ų89.678%0.78451%0.506SS*.G310 helixtrans-71.5-19.717600000115.2Q431Q431-G433 PolarHBondContact O-N 3.33Å; Q431-G433 VanDerWaalsContact O-N 3.14Å
434K55.7Low63.4Low102 Ų10293.7 Ų93.744%0.44352%0.522SS..THydrogen-bonded Turntrans-90.6-21.6178.2-61.8-164.9-168.7156.50113.1E427 Q431 R432 K436E427-K434 IonicContact OE1-NZ 3.32Å; E427-K434 PolarHBondContact OE1-NZ 3Å; E427-K434 IonicContact OE2-NZ 2.81Å; E427-K434 PolarHBondContact OE2-NZ 3.36Å; Q431-K434 PolarHBondContact O-N 3.37Å; R432-K434 VanDerWaalsContact C-N 3.33Å; R432-K434 PolarHBondContact O-N 2.76Å; K434-K436 PolarHBondContact O-N 3.21Å; K434-K436 VanDerWaalsContact O-N 3.13Å
435V55.3Low63.2Low39 Ų3994.3 Ų94.324%0.23653%0.527CS..SBendtrans-78.188.7170.71800000108.3P416 V417 Q431 A437P416-V435 HydrophobicContact CB-CB 4.34Å; P416-V435 HydrophobicContact CB-CG1 3.39Å; P416-V435 HydrophobicContact CB-CG2 3.92Å; P416-V435 HydrophobicContact CG-CG1 4.28Å; V417-V435 HydrophobicContact CG2-CG2 4Å; Q431-V435 PolarHBondContact O-N 3.45Å; V435-A437 PolarHBondContact O-N 3.09Å
436K46.3Very low63.2Low161 Ų16193 Ų9370%0.751%0.513SS*.  trans-63117.4175.7-87.2-170.4172.7-169.30111.3E26 K434E26-K436 IonicContact OE1-NZ 3.05Å; E26-K436 PolarHBondContact OE1-NZ 3.14Å; K434-K436 PolarHBondContact O-N 3.21Å; K434-K436 VanDerWaalsContact O-N 3.13Å
437A34.5Very low63.5Low88 Ų8886.3 Ų86.373%0.72749%0.492SS*.SBendtrans-157.8120.5131.600000109.9V435V435-A437 PolarHBondContact O-N 3.09Å
438S33.9Very low63.9Low77 Ų7787.9 Ų87.954%0.53849%0.494SS..  trans62.3107.8174.866.50000118.6E440S438-E440 CarbonylContact C-O 3.56Å; S438-E440 VanDerWaalsContact CB-O 3.28Å; S438-E440 WeakPolarHBondContact CB-O 3.37Å; S438-E440 CarbonylContact O-C 3.6Å; S438-E440 PolarHBondContact O-N 3.43Å; S438-E440 VanDerWaalsContact O-N 3.11Å; S438-E440 VanDerWaalsContact O-O 3.1Å; S438-E440 PolarHBondContact OG-O 3.27Å
439T32Very low64.5Low162 Ų16288.8 Ų88.899%0.99448%0.479SS*.SBendtrans-71.618.8166.56.50000114.5
440E38.5Very low65.6Low161 Ų16185.4 Ų85.475%0.75246%0.457SS*.SBendtrans-131135.2151.2-73.4-178.9154.400104.3S438 C442S438-E440 CarbonylContact C-O 3.56Å; S438-E440 VanDerWaalsContact CB-O 3.28Å; S438-E440 WeakPolarHBondContact CB-O 3.37Å; S438-E440 CarbonylContact O-C 3.6Å; S438-E440 PolarHBondContact O-N 3.43Å; S438-E440 VanDerWaalsContact O-N 3.11Å; S438-E440 VanDerWaalsContact O-O 3.1Å; S438-E440 PolarHBondContact OG-O 3.27Å; E440-C442 PolarHBondContact O-N 3.13Å
441I52.3Low66.6Low114 Ų11488.2 Ų88.259%0.58547%0.468SS*.  trans-66.590.4164.6-48.6174.1000105A445 K446I441-A445 HydrophobicContact CG2-CB 3.79Å; I441-K446 HydrophobicContact CB-CG 4.03Å; I441-K446 HydrophobicContact CG2-CB 4.37Å; I441-K446 HydrophobicContact CG2-CD 4.38Å; I441-K446 HydrophobicContact CG2-CG 3.34Å; I441-K446 VanDerWaalsContact O-CE 3.28Å; I441-K446 WeakPolarHBondContact O-CE 3.49Å
442C65.9Low67.6Low59 Ų5988 Ų8840%0.39947%0.467SS..  trans-49.8145.4176.8172.10000107.8E440 E444 A445 K446E440-C442 PolarHBondContact O-N 3.13Å; C442-E444 PolarHBondContact O-N 3.36Å; C442-A445 WeakPolarHBondContact O-CA 3.43Å; C442-A445 WeakPolarHBondContact O-CB 3.39Å; C442-A445 PolarHBondContact O-N 3.43Å; C442-K446 PolarHBondContact O-N 2.94Å; C442-K446 VanDerWaalsContact O-N 3.12Å
443Q75.9Confident68.9Low129 Ų12984.6 Ų84.660%0.60346%0.456SS*.Hα-helixtrans-47.3-36.6178.1-165.8177.33.600111.6K446 L447 M510Q443-K446 PolarHBondContact O-N 3.28Å; Q443-L447 WeakPolarHBondContact O-CB 3.47Å; Q443-L447 PolarHBondContact O-N 2.99Å; Q443-M510 HydrophobicContact CG-CG 4.32Å; Q443-M510 HydrophobicContact CG-SD 3.47Å; Q443-M510 WeakPolarHBondContact CG-SD 3.45Å
444E78.7Confident70.6Confident117 Ų11781.5 Ų81.555%0.54742%0.421SS..Hα-helixtrans-63.2-42.5174.7-168.9-170.6164.700114C442 L447 R448C442-E444 PolarHBondContact O-N 3.36Å; E444-L447 PolarHBondContact O-N 2.82Å; E444-R448 WeakPolarHBondContact O-CB 3.45Å; E444-R448 WeakPolarHBondContact O-CG 3.32Å; E444-R448 PolarHBondContact O-N 2.65Å; E444-R448 IonicContact OE1-CZ 2.65Å
445A79.9Confident72.5Confident26 Ų2677.2 Ų77.222%0.21540%0.404CS..Hα-helixtrans-66.9-39.5177.100000111.4I441 C442 R448 F449I441-A445 HydrophobicContact CG2-CB 3.79Å; C442-A445 WeakPolarHBondContact O-CA 3.43Å; C442-A445 WeakPolarHBondContact O-CB 3.39Å; C442-A445 PolarHBondContact O-N 3.43Å; A445-R448 PolarHBondContact O-N 3.29Å; A445-F449 PolarHBondContact O-N 3.1Å
446K86.3Confident74.4Confident75 Ų7575.6 Ų75.633%0.32640%0.395SS..Hα-helixtrans-62.5-46.4172.7-62.2-176.8-177.5167.70111I441 C442 Q443 R448 F449 M450 M510I441-K446 HydrophobicContact CB-CG 4.03Å; I441-K446 HydrophobicContact CG2-CB 4.37Å; I441-K446 HydrophobicContact CG2-CD 4.38Å; I441-K446 HydrophobicContact CG2-CG 3.34Å; I441-K446 VanDerWaalsContact O-CE 3.28Å; I441-K446 WeakPolarHBondContact O-CE 3.49Å; C442-K446 PolarHBondContact O-N 2.94Å; C442-K446 VanDerWaalsContact O-N 3.12Å; Q443-K446 PolarHBondContact O-N 3.28Å; K446-R448 PolarHBondContact O-N 3.06Å; K446-F449 WeakPolarHBondContact O-CB 3.27Å; K446-F449 PolarHBondContact O-N 3.2Å; K446-M450 VanDerWaalsContact O-CG 3.31Å; K446-M450 WeakPolarHBondContact O-CG 3.19Å; K446-M450 PolarHBondContact O-N 2.92Å; K446-M510 HydrophobicContact CB-CE 3.66Å; K446-M510 HydrophobicContact CB-SD 4.26Å; K446-M510 HydrophobicContact CD-CE 3.83Å; K446-M510 HydrophobicContact CG-CE 4.37Å
447L89.6Confident76.7Confident60 Ų6068.3 Ų68.331%0.31436%0.364SS..Hα-helixtrans-62.9-42.3-179.9-173.661.1000111.7Q443 E444 F449 M450 H451 M510 F514Q443-L447 WeakPolarHBondContact O-CB 3.47Å; Q443-L447 PolarHBondContact O-N 2.99Å; E444-L447 PolarHBondContact O-N 2.82Å; L447-F449 VanDerWaalsContact C-N 3.34Å; L447-F449 PolarHBondContact O-N 3.32Å; L447-M450 WeakPolarHBondContact O-CB 3.35Å; L447-M450 PolarHBondContact O-N 2.82Å; L447-H451 PolarHBondContact O-CD2 2.67Å; L447-H451 PolarHBondContact O-N 3.36Å; L447-M510 HydrophobicContact CB-SD 4.46Å; L447-F514 HydrophobicContact CD1-CE2 4.01Å; L447-F514 HydrophobicContact CD1-CZ 4.34Å
448R89.6Confident79.5Confident124 Ų12467.2 Ų67.247%0.46834%0.343SS..Hα-helixtrans-58.8-44172.9-77.2-175.5-71.1-174.9-5.7112.1E444 A445 K446 H451 A452E444-R448 WeakPolarHBondContact O-CB 3.45Å; E444-R448 WeakPolarHBondContact O-CG 3.32Å; E444-R448 PolarHBondContact O-N 2.65Å; E444-R448 IonicContact OE1-CZ 2.65Å; A445-R448 PolarHBondContact O-N 3.29Å; K446-R448 PolarHBondContact O-N 3.06Å; R448-H451 PolarHBondContact O-N 3.14Å; R448-A452 PolarHBondContact O-N 2.77Å
449F91.7Very high82.4Confident89 Ų8964.6 Ų64.639%0.3932%0.324SS..Hα-helixtrans-61.7-44.2174.4179.2-97.1000111.9H409 A445 K446 L447 H451 A452 M453H409-F449 AromaticContact CE1-CD2 3.92Å; A445-F449 PolarHBondContact O-N 3.1Å; K446-F449 WeakPolarHBondContact O-CB 3.27Å; K446-F449 PolarHBondContact O-N 3.2Å; L447-F449 VanDerWaalsContact C-N 3.34Å; L447-F449 PolarHBondContact O-N 3.32Å; F449-H451 PolarHBondContact O-N 2.75Å; F449-A452 WeakPolarHBondContact O-CB 3.25Å; F449-A452 PolarHBondContact O-N 3.12Å; F449-M453 HydrophobicContact CD1-CG 4.07Å; F449-M453 HydrophobicContact CD2-CE 4.25Å; F449-M453 HydrophobicContact CD2-CG 4.48Å; F449-M453 HydrophobicContact CE1-CG 3.57Å; F449-M453 HydrophobicContact CE2-CE 3.81Å; F449-M453 HydrophobicContact CE2-CG 4.03Å; F449-M453 HydrophobicContact CE2-SD 4.11Å; F449-M453 HydrophobicContact CZ-CE 4.22Å; F449-M453 HydrophobicContact CZ-CG 3.56Å; F449-M453 HydrophobicContact CZ-SD 3.89Å; F449-M453 WeakPolarHBondContact O-CG 3.48Å; F449-M453 PolarHBondContact O-N 2.92Å
450M95.3Very high85.4Confident3 Ų357 Ų572%0.01528%0.277CS..Hα-helixtrans-60-44.2176.6-69.217265.700112K446 L447 A452 M453 H454 T483 V507 M510 F514K446-M450 VanDerWaalsContact O-CG 3.31Å; K446-M450 WeakPolarHBondContact O-CG 3.19Å; K446-M450 PolarHBondContact O-N 2.92Å; L447-M450 WeakPolarHBondContact O-CB 3.35Å; L447-M450 PolarHBondContact O-N 2.82Å; M450-A452 VanDerWaalsContact C-N 3.33Å; M450-A452 PolarHBondContact O-N 3.29Å; M450-M453 PolarHBondContact O-N 3.46Å; M450-H454 VanDerWaalsContact O-CB 3.23Å; M450-H454 WeakPolarHBondContact O-CB 3.44Å; M450-H454 PolarHBondContact O-N 3.48Å; M450-T483 HydrophobicContact CB-CG2 4.19Å; M450-T483 HydrophobicContact CE-CG2 4.1Å; M450-V507 HydrophobicContact CE-CG1 3.9Å; M450-V507 WeakPolarHBondContact CE-O 3.25Å; M450-V507 HydrophobicContact SD-CG1 4.1Å; M450-M510 HydrophobicContact CE-CB 3.93Å; M450-M510 HydrophobicContact SD-CB 3.85Å; M450-M510 HydrophobicContact SD-CE 3.91Å; M450-M510 HydrophobicContact SD-SD 4.39Å; M450-F514 HydrophobicContact CB-CE2 4.42Å; M450-F514 HydrophobicContact CB-CZ 4.24Å; M450-F514 HydrophobicContact CE-CD2 4.48Å; M450-F514 HydrophobicContact CE-CE2 4.1Å
451H94.9Very high88.2Confident81 Ų8149.5 Ų49.538%0.37524%0.243SC..Hα-helixtrans-61.5-40174.8-81.8-73.9000112.7A405 L447 R448 F449 S455 F514A405-H451 HydrophobicContact CB-CB 3.8Å; L447-H451 PolarHBondContact O-CD2 2.67Å; L447-H451 PolarHBondContact O-N 3.36Å; R448-H451 PolarHBondContact O-N 3.14Å; F449-H451 PolarHBondContact O-N 2.75Å; H451-S455 WeakPolarHBondContact O-CB 3.45Å; H451-S455 PolarHBondContact O-N 3.44Å; H451-S455 PolarHBondContact O-OG 3.5Å; H451-F514 AromaticContact CD2-CZ 3.79Å; H451-F514 AromaticContact CE1-CE1 3.61Å; H451-F514 AromaticContact CE1-CZ 3.42Å; H451-F514 VanDerWaalsContact CE1-CZ 3.42Å; H451-F514 WeakPolarHBondContact CE1-CZ 3.25Å; H451-F514 AromaticContact CG-CE1 3.97Å; H451-F514 AromaticContact CG-CZ 3.69Å; H451-F514 AromaticContact ND1-CE1 3.41Å; H451-F514 WeakPolarHBondContact ND1-CE1 3.48Å; H451-F514 AromaticContact ND1-CZ 3.48Å; H451-F514 WeakPolarHBondContact ND1-CZ 3.23Å; H451-F514 AromaticContact NE2-CZ 3.62Å
452A95.3Very high90.2Very high0 Ų046 Ų460%023%0.231CC..Hα-helixtrans-63.9-47.6176.400000111.7Y406 H409 R448 F449 M450 S455 S456Y406-A452 HydrophobicContact CD2-CB 4.22Å; H409-A452 HydrophobicContact CB-CB 3.53Å; R448-A452 PolarHBondContact O-N 2.77Å; F449-A452 WeakPolarHBondContact O-CB 3.25Å; F449-A452 PolarHBondContact O-N 3.12Å; M450-A452 VanDerWaalsContact C-N 3.33Å; M450-A452 PolarHBondContact O-N 3.29Å; A452-S455 PolarHBondContact O-N 3.32Å; A452-S456 PolarHBondContact O-N 3.01Å; A452-S456 VanDerWaalsContact O-N 3.1Å
453M95.5Very high91.7Very high33 Ų3344.1 Ų44.116%0.16322%0.22CC..Hα-helixtrans-66-39.4177.8-66.4-50.5102.800111.7Y406 F449 M450 S455 S456 A457Y406-M453 HydrophobicContact CD2-CE 4.05Å; Y406-M453 HydrophobicContact CE2-CE 3.81Å; F449-M453 HydrophobicContact CD1-CG 4.07Å; F449-M453 HydrophobicContact CD2-CE 4.25Å; F449-M453 HydrophobicContact CD2-CG 4.48Å; F449-M453 HydrophobicContact CE1-CG 3.57Å; F449-M453 HydrophobicContact CE2-CE 3.81Å; F449-M453 HydrophobicContact CE2-CG 4.03Å; F449-M453 HydrophobicContact CE2-SD 4.11Å; F449-M453 HydrophobicContact CZ-CE 4.22Å; F449-M453 HydrophobicContact CZ-CG 3.56Å; F449-M453 HydrophobicContact CZ-SD 3.89Å; F449-M453 WeakPolarHBondContact O-CG 3.48Å; F449-M453 PolarHBondContact O-N 2.92Å; M450-M453 PolarHBondContact O-N 3.46Å; M453-S455 VanDerWaalsContact C-N 3.34Å; M453-S455 PolarHBondContact O-N 3.29Å; M453-S456 PolarHBondContact O-N 3.45Å; M453-A457 WeakPolarHBondContact O-CB 3.4Å; M453-A457 PolarHBondContact O-N 2.87Å
454H95.7Very high92.8Very high12 Ų1238.1 Ų38.16%0.05619%0.192CC..Hα-helixtrans-58.9-45.3174.3-174.182.7000111.7M450 S456 A457 K458 T483 F514M450-H454 VanDerWaalsContact O-CB 3.23Å; M450-H454 WeakPolarHBondContact O-CB 3.44Å; M450-H454 PolarHBondContact O-N 3.48Å; H454-S456 PolarHBondContact O-N 3.32Å; H454-A457 PolarHBondContact O-N 2.84Å; H454-K458 WeakPolarHBondContact O-CG 3.47Å; H454-K458 PolarHBondContact O-N 3.24Å; H454-T483 HydrophobicContact CB-CG2 4.03Å; H454-T483 PolarHBondContact ND1-OG1 3.29Å; H454-F514 HydrophobicContact CB-CD1 4.15Å; H454-F514 HydrophobicContact CB-CE1 3.91Å; H454-F514 AromaticContact CD2-CD1 3.97Å; H454-F514 AromaticContact CE1-CD1 3.93Å; H454-F514 AromaticContact CG-CD1 3.66Å; H454-F514 AromaticContact CG-CE1 3.87Å; H454-F514 AromaticContact ND1-CD1 3.63Å
455S94.9Very high93.6Very high12 Ų1232.5 Ų32.58%0.08417%0.166CC..Hα-helixtrans-60.5-44.6177.6-60.80000112S402 A405 H451 A452 M453 K458S402-S455 VanDerWaalsContact O-CB 3.26Å; S402-S455 WeakPolarHBondContact O-CB 3.49Å; A405-S455 WeakPolarHBondContact CB-OG 3.4Å; H451-S455 WeakPolarHBondContact O-CB 3.45Å; H451-S455 PolarHBondContact O-N 3.44Å; H451-S455 PolarHBondContact O-OG 3.5Å; A452-S455 PolarHBondContact O-N 3.32Å; M453-S455 VanDerWaalsContact C-N 3.34Å; M453-S455 PolarHBondContact O-N 3.29Å; S455-K458 PolarHBondContact O-N 3.36Å
456S94.5Very high94.4Very high5 Ų535.2 Ų35.24%0.03518%0.179CC..Hα-helixtrans-62.5-43.7175.1-169.80000111.9A452 M453 H454 K458 V459 A460A452-S456 PolarHBondContact O-N 3.01Å; A452-S456 VanDerWaalsContact O-N 3.1Å; M453-S456 PolarHBondContact O-N 3.45Å; H454-S456 PolarHBondContact O-N 3.32Å; S456-K458 PolarHBondContact O-N 2.6Å; S456-V459 PolarHBondContact O-N 3.35Å; S456-A460 PolarHBondContact O-N 3.14Å
457A95.2Very high95Very high8 Ų832 Ų327%0.06617%0.167CC..Hα-helixtrans-62.6-41178.800000112.4M453 H454 V459 A460 A461 A485 F486M453-A457 WeakPolarHBondContact O-CB 3.4Å; M453-A457 PolarHBondContact O-N 2.87Å; H454-A457 PolarHBondContact O-N 2.84Å; A457-V459 PolarHBondContact O-N 2.78Å; A457-V459 VanDerWaalsContact O-N 3.11Å; A457-A460 PolarHBondContact O-N 3.11Å; A457-A460 VanDerWaalsContact O-N 3.14Å; A457-A461 WeakPolarHBondContact O-CB 3.35Å; A457-A461 PolarHBondContact O-N 3.48Å; A457-A485 HydrophobicContact CB-CB 3.59Å; A457-F486 HydrophobicContact CB-CD2 3.84Å; A457-F486 HydrophobicContact CB-CE2 3.44Å; A457-F486 VanDerWaalsContact CB-CE2 3.44Å; A457-F486 HydrophobicContact CB-CZ 4.21Å
458K92.8Very high95.3Very high65 Ų6529.8 Ų29.828%0.28316%0.155SC..Hα-helixtrans-58.3-27177.8-71.6179.494.8-172.20113.6R400 H454 S455 S456R400-K458 WeakPolarHBondContact O-CE 3.46Å; R400-K458 PolarHBondContact O-NZ 3.16Å; H454-K458 WeakPolarHBondContact O-CG 3.47Å; H454-K458 PolarHBondContact O-N 3.24Å; S455-K458 PolarHBondContact O-N 3.36Å; S456-K458 PolarHBondContact O-N 2.6Å
459V94.8Very high95.6Very high22 Ų2229.3 Ų29.313%0.13316%0.161CC..Hα-helixtrans-83.3-40.1177.6179.60000111.6F401 L403 S456 A457 N626 L627F401-V459 HydrophobicContact CB-CG2 4.38Å; L403-V459 HydrophobicContact CD2-CG2 3.76Å; L403-V459 HydrophobicContact CG-CG2 4.11Å; S456-V459 PolarHBondContact O-N 3.35Å; A457-V459 PolarHBondContact O-N 2.78Å; A457-V459 VanDerWaalsContact O-N 3.11Å; V459-N626 PolarHBondContact O-ND2 3.35Å; V459-N626 PolarHBondContact O-OD1 2.82Å; V459-L627 HydrophobicContact CB-CD1 3.94Å; V459-L627 HydrophobicContact CG1-CD1 3.78Å; V459-L627 HydrophobicContact CG1-CG 4.1Å
460A96.3Very high95.8Very high1 Ų125.1 Ų25.11%0.00814%0.143CC..Hα-helixtrans-89.3-29.2-173.600000114.5S456 A457 A462 A463 V464 F486 L627 L628S456-A460 PolarHBondContact O-N 3.14Å; A457-A460 PolarHBondContact O-N 3.11Å; A457-A460 VanDerWaalsContact O-N 3.14Å; A460-A462 PolarHBondContact O-N 3.44Å; A460-A463 PolarHBondContact O-N 2.9Å; A460-A463 VanDerWaalsContact O-N 3.11Å; A460-V464 PolarHBondContact O-N 3.38Å; A460-F486 HydrophobicContact CB-CE1 4.46Å; A460-F486 HydrophobicContact CB-CZ 4.07Å; A460-L627 HydrophobicContact CB-CB 4.21Å; A460-L628 HydrophobicContact CB-CD1 3.96Å; A460-L628 HydrophobicContact CB-CG 4.2Å
461A96.2Very high95.8Very high4 Ų427.8 Ų27.83%0.03316%0.162CC..Hα-helixtrans-60.6-39.6-164.800000113.9A457 A463 V464 A465 F486 E489A457-A461 WeakPolarHBondContact O-CB 3.35Å; A457-A461 PolarHBondContact O-N 3.48Å; A461-A463 VanDerWaalsContact C-N 3.33Å; A461-A463 PolarHBondContact O-N 3.39Å; A461-V464 PolarHBondContact O-N 3.22Å; A461-A465 WeakPolarHBondContact O-CB 3.39Å; A461-A465 PolarHBondContact O-N 2.97Å; A461-F486 VanDerWaalsContact CA-CE1 3.44Å; A461-F486 HydrophobicContact CB-CD1 3.72Å; A461-F486 HydrophobicContact CB-CE1 3.83Å; A461-F486 HydrophobicContact CB-CG 4.25Å; A461-F486 HydrophobicContact CB-CZ 4.41Å; A461-E489 HydrophobicContact CB-CB 3.77Å; A461-E489 HydrophobicContact CB-CG 4.09Å
462A96.1Very high95.7Very high41 Ų4128.2 Ų28.234%0.33917%0.174SC..Hα-helixtrans-65.1-38.3179.600000112.1A460 T466 E489A460-A462 PolarHBondContact O-N 3.44Å; A462-T466 WeakPolarHBondContact O-CB 3.32Å; A462-T466 WeakPolarHBondContact O-CG2 3.45Å; A462-T466 PolarHBondContact O-N 3.07Å; A462-T466 VanDerWaalsContact O-N 3.11Å; A462-T466 PolarHBondContact O-OG1 3.49Å; A462-E489 HydrophobicContact CB-CG 4.22Å
463A97.3Very high95.8Very high20 Ų2029.2 Ų29.217%0.16518%0.178CC..Hα-helixtrans-69-38.2179.400000111.5A460 A461 A467 T624 N626A460-A463 PolarHBondContact O-N 2.9Å; A460-A463 VanDerWaalsContact O-N 3.11Å; A461-A463 VanDerWaalsContact C-N 3.33Å; A461-A463 PolarHBondContact O-N 3.39Å; A463-A467 PolarHBondContact O-N 3.29Å; A463-T624 HydrophobicContact CB-CG2 4.43Å; A463-N626 HydrophobicContact CB-CB 3.87Å
464V97.5Very high95.9Very high2 Ų232.1 Ų32.11%0.01219%0.19CC..Hα-helixtrans-71.7-44.1175177.70000111.3A460 A461 T466 A467 F486 L573 S575 L628 A630A460-V464 PolarHBondContact O-N 3.38Å; A461-V464 PolarHBondContact O-N 3.22Å; V464-T466 PolarHBondContact O-N 2.8Å; V464-A467 WeakPolarHBondContact O-CB 3.48Å; V464-A467 PolarHBondContact O-N 2.91Å; V464-F486 HydrophobicContact CB-CD1 4.46Å; V464-F486 HydrophobicContact CB-CE1 4.08Å; V464-F486 HydrophobicContact CG1-CE1 4.43Å; V464-F486 HydrophobicContact CG2-CE1 4.02Å; V464-L573 HydrophobicContact CG1-CD2 4.3Å; V464-S575 VanDerWaalsContact CG2-OG 3.3Å; V464-S575 WeakPolarHBondContact CG2-OG 3.47Å; V464-L628 HydrophobicContact CG2-CB 4.31Å; V464-A630 HydrophobicContact CG1-CB 4.48Å
465A96.9Very high96Very high0 Ų034.3 Ų34.30%020%0.204CC..Hα-helixtrans-64.2-29.2-178.900000113A461 E489 L490 T493 H494A461-A465 WeakPolarHBondContact O-CB 3.39Å; A461-A465 PolarHBondContact O-N 2.97Å; A465-E489 HydrophobicContact CB-CG 4.25Å; A465-L490 HydrophobicContact CB-CD2 3.84Å; A465-L490 HydrophobicContact CB-CG 4.22Å; A465-T493 HydrophobicContact CB-CG2 4.36Å; A465-H494 PolarHBondContact O-NE2 3.35Å
466T97Very high96.2Very high82 Ų8233.9 Ų33.950%0.50320%0.201SC..THydrogen-bonded Turntrans-98.49.417659.60000112.9A462 V464 F468 T493 K622A462-T466 WeakPolarHBondContact O-CB 3.32Å; A462-T466 WeakPolarHBondContact O-CG2 3.45Å; A462-T466 PolarHBondContact O-N 3.07Å; A462-T466 VanDerWaalsContact O-N 3.11Å; A462-T466 PolarHBondContact O-OG1 3.49Å; V464-T466 PolarHBondContact O-N 2.8Å; T466-F468 VanDerWaalsContact C-N 3.33Å; T466-F468 PolarHBondContact O-N 3.25Å; T466-T493 HydrophobicContact CG2-CG2 3.75Å; T466-K622 PolarHBondContact O-NZ 3.26Å
467A97.3Very high96.4Very high7 Ų733.6 Ų33.66%0.05820%0.199CC..SBendtrans-65.1-41.6-179.700000111.4A463 V464 K622 A630A463-A467 PolarHBondContact O-N 3.29Å; V464-A467 WeakPolarHBondContact O-CB 3.48Å; V464-A467 PolarHBondContact O-N 2.91Å; A467-K622 HydrophobicContact CB-CD 3.96Å; A467-K622 WeakPolarHBondContact O-CD 3.48Å; A467-K622 PolarHBondContact O-NZ 2.95Å; A467-A630 HydrophobicContact CB-CB 3.74Å
468F97.1Very high96.6Very high14 Ų1433.3 Ų33.36%0.06120%0.197CC..SBendtrans-135.1159.4-175.4-51.1-68.1000111.1T466 L470 L573 Q620 K622 A630 L632T466-F468 VanDerWaalsContact C-N 3.33Å; T466-F468 PolarHBondContact O-N 3.25Å; F468-L470 HydrophobicContact CB-CD2 4.04Å; F468-L470 PolarHBondContact O-N 2.87Å; F468-L573 HydrophobicContact CD2-CD1 3.81Å; F468-L573 HydrophobicContact CE2-CD1 3.83Å; F468-Q620 HydrophobicContact CD1-CB 3.94Å; F468-Q620 HydrophobicContact CE1-CB 3.45Å; F468-Q620 VanDerWaalsContact CE1-CB 3.45Å; F468-Q620 HydrophobicContact CZ-CB 4.27Å; F468-K622 HydrophobicContact CE1-CB 4.02Å; F468-K622 HydrophobicContact CZ-CB 3.96Å; F468-A630 HydrophobicContact CE2-CB 3.68Å; F468-A630 HydrophobicContact CZ-CB 4.21Å; F468-L632 HydrophobicContact CB-CD2 4.08Å; F468-L632 HydrophobicContact CD1-CB 4.31Å; F468-L632 HydrophobicContact CD2-CB 3.76Å; F468-L632 HydrophobicContact CE1-CB 4.39Å; F468-L632 HydrophobicContact CE2-CB 3.82Å; F468-L632 HydrophobicContact CG-CB 4.01Å; F468-L632 HydrophobicContact CG-CD2 4.2Å; F468-L632 HydrophobicContact CZ-CB 4.14Å
469D95Very high96.8Very high114 Ų11430.2 Ų30.261%0.6118%0.183SC*.  trans-75.5115.4164-178.47.8000108.9S471D469-S471 WeakPolarHBondContact OD1-CB 3.42Å; D469-S471 PolarHBondContact OD1-N 3.16Å; D469-S471 PolarHBondContact OD1-OG 3.05Å; D469-S471 PolarHBondContact OD2-OG 3.17Å
470L96.6Very high96.9Very high1 Ų129.8 Ų29.81%0.00518%0.183CC..  trans-109.710.2179.9-55.3178.6000111.8F468 S472 Y473 L490 H494 L540 L573 L632F468-L470 HydrophobicContact CB-CD2 4.04Å; F468-L470 PolarHBondContact O-N 2.87Å; L470-S472 PolarHBondContact O-N 2.97Å; L470-S472 VanDerWaalsContact O-N 3.13Å; L470-Y473 HydrophobicContact CB-CD2 4.18Å; L470-Y473 HydrophobicContact CD2-CD2 4.19Å; L470-Y473 HydrophobicContact CD2-CE2 4.17Å; L470-Y473 PolarHBondContact O-N 3.32Å; L470-L490 HydrophobicContact CD1-CD2 3.71Å; L470-H494 PolarHBondContact N-CE1 3.02Å; L470-L540 HydrophobicContact CD1-CD2 4.17Å; L470-L540 HydrophobicContact CD2-CD2 4.4Å; L470-L573 HydrophobicContact CD1-CD2 4.2Å; L470-L632 HydrophobicContact CD2-CD1 4.18Å; L470-L632 HydrophobicContact CD2-CD2 4.17Å
471S94.2Very high96.9Very high60 Ų6030.2 Ų30.242%0.4219%0.187SC..THydrogen-bonded Turntrans-61.5-23-173.861.90000114.5D469 Y473 K474D469-S471 WeakPolarHBondContact OD1-CB 3.42Å; D469-S471 PolarHBondContact OD1-N 3.16Å; D469-S471 PolarHBondContact OD1-OG 3.05Å; D469-S471 PolarHBondContact OD2-OG 3.17Å; S471-Y473 VanDerWaalsContact C-N 3.29Å; S471-K474 PolarHBondContact O-NZ 2.93Å
472S93.9Very high96.9Very high89 Ų8931 Ų3162%0.62219%0.192SC*.THydrogen-bonded Turntrans-70.7-22.1175.158.20000113.5L470L470-S472 PolarHBondContact O-N 2.97Å; L470-S472 VanDerWaalsContact O-N 3.13Å
473Y97.3Very high96.9Very high21 Ų2129.2 Ų29.28%0.08218%0.177CC..  trans-93.1130.4179.5-54.9-72.5000110L470 S471 L497 D539 L540 L632L470-Y473 HydrophobicContact CB-CD2 4.18Å; L470-Y473 HydrophobicContact CD2-CD2 4.19Å; L470-Y473 HydrophobicContact CD2-CE2 4.17Å; L470-Y473 PolarHBondContact O-N 3.32Å; S471-Y473 VanDerWaalsContact C-N 3.29Å; Y473-L497 WeakPolarHBondContact O-CD1 3.48Å; Y473-D539 HydrophobicContact CD1-CB 4Å; Y473-D539 WeakPolarHBondContact CD1-O 3.33Å; Y473-L540 HydrophobicContact CD1-CB 3.99Å; Y473-L540 HydrophobicContact CD2-CB 4.42Å; Y473-L540 HydrophobicContact CD2-CD1 4.42Å; Y473-L540 HydrophobicContact CD2-CD2 4.21Å; Y473-L540 HydrophobicContact CE2-CD1 4.38Å; Y473-L540 HydrophobicContact CG-CB 3.87Å; Y473-L540 HydrophobicContact CG-CD2 4.37Å; Y473-L632 HydrophobicContact CE2-CD1 4.49Å
474K97.7Very high96.8Very high95 Ų9528.2 Ų28.241%0.41317%0.169SC..  trans-103-31179.4-60.5-54-176.8-163.90112.1S471 D496 S498 D539S471-K474 PolarHBondContact O-NZ 2.93Å; K474-D496 HydrophobicContact CD-CB 3.98Å; K474-D496 IonicContact NZ-OD2 2.74Å; K474-D496 PolarHBondContact NZ-OD2 3.1Å; K474-S498 PolarHBondContact O-N 3.39Å; K474-D539 PolarHBondContact N-OD2 2.68Å
475T98.4Very high96.7Very high57 Ų5728.6 Ų28.635%0.3517%0.173SC..EExtended strand (participates in β ladder)trans-121.9138.7176.460.70000111.3S498 A538 D539 L540T475-S498 CarbonylContact C-O 3.5Å; T475-S498 WeakPolarHBondContact CA-O 3.24Å; T475-A538 WeakPolarHBondContact OG1-CA 3.19Å; T475-D539 PolarHBondContact N-OD2 3.05Å; T475-D539 PolarHBondContact O-N 3.42Å; T475-D539 PolarHBondContact OG1-N 3.48Å; T475-D539 PolarHBondContact OG1-OD2 3Å; T475-L540 PolarHBondContact O-N 2.88Å
476A98.6Very high96.7Very high3 Ų329.6 Ų29.63%0.02518%0.177CC..EExtended strand (participates in β ladder)trans-131.4152.5173.300000112.9L497 S498 V499 A500 L540 I542A476-L497 HydrophobicContact CB-CD1 4Å; A476-L497 HydrophobicContact CB-CD2 4.46Å; A476-L497 HydrophobicContact CB-CG 4.43Å; A476-S498 PolarHBondContact N-O 2.94Å; A476-V499 HydrophobicContact CB-CG1 4.36Å; A476-V499 HydrophobicContact CB-CG2 4.19Å; A476-V499 CarbonylContact O-C 3.48Å; A476-V499 WeakPolarHBondContact O-CA 3.24Å; A476-A500 PolarHBondContact O-N 3.11Å; A476-L540 CarbonylContact C-O 3.51Å; A476-L540 WeakPolarHBondContact CA-O 3.22Å; A476-L540 HydrophobicContact CB-CB 3.97Å; A476-L540 HydrophobicContact CB-CD2 4.21Å; A476-L540 HydrophobicContact CB-CG 4.26Å; A476-L540 WeakPolarHBondContact CB-O 3.44Å; A476-I542 HydrophobicContact CB-CD1 3.7Å; A476-I542 HydrophobicContact CB-CG1 4.44Å
477C98.6Very high96.7Very high0 Ų025.7 Ų25.70%015%0.153CC..EExtended strand (participates in β ladder)trans-118.2113170.7179.40000109.6V479 A500 P536 A538 L540 Y541 I542C477-V479 PolarHBondContact O-N 2.88Å; C477-A500 CarbonylContact C-O 3.57Å; C477-A500 VanDerWaalsContact CA-O 3.32Å; C477-A500 WeakPolarHBondContact CA-O 3.13Å; C477-P536 HydrophobicContact CB-CB 4.27Å; C477-A538 HydrophobicContact CB-CB 3.84Å; C477-L540 PolarHBondContact N-O 3.32Å; C477-Y541 HydrophobicContact CB-CD1 3.67Å; C477-Y541 HydrophobicContact CB-CE1 3.67Å; C477-I542 PolarHBondContact O-N 3.45Å
478D98.6Very high96.7Very high2 Ų226.2 Ų26.21%0.01115%0.154CC..EExtended strand (participates in β ladder)trans-8898.4174.1-171.77000109.5G480 G481 V499 A500 V501 L502 I542D478-G480 PolarHBondContact O-N 3.32Å; D478-G481 VanDerWaalsContact CG-CA 3.46Å; D478-G481 PolarHBondContact O-N 3Å; D478-G481 WeakPolarHBondContact OD1-CA 3.36Å; D478-G481 WeakPolarHBondContact OD2-CA 3.47Å; D478-V499 HydrophobicContact CB-CG1 3.85Å; D478-A500 PolarHBondContact N-O 3.43Å; D478-V501 HydrophobicContact CB-CG2 4.35Å; D478-L502 PolarHBondContact O-N 3.27Å; D478-I542 HydrophobicContact CB-CB 4.45Å; D478-I542 HydrophobicContact CB-CD1 4.4Å
479V98.4Very high96.6Very high0 Ų027.4 Ų27.40%016%0.16CC..EExtended strand (participates in β ladder)trans-83.7116.8-173.2-179.60000109C477 F530 Y541 I542 L543 I546 L558C477-V479 PolarHBondContact O-N 2.88Å; V479-F530 HydrophobicContact CG1-CB 3.62Å; V479-F530 HydrophobicContact CG1-CD1 3.72Å; V479-F530 HydrophobicContact CG1-CD2 4.46Å; V479-F530 HydrophobicContact CG1-CG 3.69Å; V479-Y541 HydrophobicContact CG2-CD1 4.21Å; V479-I542 PolarHBondContact N-O 3.27Å; V479-L543 HydrophobicContact CB-CD2 3.84Å; V479-L543 HydrophobicContact CG1-CD2 4.16Å; V479-I546 VanDerWaalsContact O-CG1 3.32Å; V479-I546 WeakPolarHBondContact O-CG1 3.47Å; V479-L558 HydrophobicContact CG1-CD1 4.17Å
480G96.9Very high96.7Very high13 Ų1322.1 Ų22.113%0.13413%0.131CC..THydrogen-bonded Turntrans71.130.6-170.700000113.1D478 C482 L502 D503D478-G480 PolarHBondContact O-N 3.32Å; G480-C482 PolarHBondContact O-N 3.45Å; G480-C482 VanDerWaalsContact O-N 3.08Å; G480-L502 WeakPolarHBondContact CA-O 3.45Å; G480-L502 PolarHBondContact N-O 3.14Å; G480-D503 WeakPolarHBondContact CA-OD2 3.27Å
481G96.1Very high96.7Very high9 Ų922.1 Ų22.19%0.09313%0.131CC..  trans-69.8-1.1-173.900000115.5D478 T483 G484D478-G481 VanDerWaalsContact CG-CA 3.46Å; D478-G481 PolarHBondContact O-N 3Å; D478-G481 WeakPolarHBondContact OD1-CA 3.36Å; D478-G481 WeakPolarHBondContact OD2-CA 3.47Å; G481-T483 PolarHBondContact O-N 2.89Å; G481-G484 PolarHBondContact O-N 2.94Å
482C96Very high96.7Very high20 Ų2024.7 Ų24.714%0.13514%0.135CC..THydrogen-bonded Turntrans54.9-108.4172.2-173.20000113.3G480 G484 D503G480-C482 PolarHBondContact O-N 3.45Å; G480-C482 VanDerWaalsContact O-N 3.08Å; C482-G484 VanDerWaalsContact C-N 3.26Å; C482-G484 PolarHBondContact O-N 3.41Å; C482-D503 WeakPolarHBondContact CA-OD2 3.49Å; C482-D503 PolarHBondContact N-OD2 3.41Å
483T95.6Very high96.8Very high4 Ų422.7 Ų22.73%0.02512%0.119CC..THydrogen-bonded Turntrans-81.4-3.3-179.958.80000113.5M450 H454 G481 A485 F514M450-T483 HydrophobicContact CB-CG2 4.19Å; M450-T483 HydrophobicContact CE-CG2 4.1Å; H454-T483 HydrophobicContact CB-CG2 4.03Å; H454-T483 PolarHBondContact ND1-OG1 3.29Å; G481-T483 PolarHBondContact O-N 2.89Å; T483-A485 VanDerWaalsContact C-N 3.3Å; T483-A485 PolarHBondContact O-N 3.42Å; T483-F514 HydrophobicContact CG2-CB 4.24Å; T483-F514 HydrophobicContact CG2-CD1 3.66Å; T483-F514 HydrophobicContact CG2-CD2 3.71Å; T483-F514 HydrophobicContact CG2-CE1 3.81Å; T483-F514 HydrophobicContact CG2-CE2 3.87Å; T483-F514 HydrophobicContact CG2-CG 3.6Å; T483-F514 HydrophobicContact CG2-CZ 3.91Å
484G96.1Very high96.8Very high0 Ų022.6 Ų22.60%012%0.119CC..SBendtrans75.412.3-176.700000114.3G481 C482 F486 A487 Y488G481-G484 PolarHBondContact O-N 2.94Å; C482-G484 VanDerWaalsContact C-N 3.26Å; C482-G484 PolarHBondContact O-N 3.41Å; G484-F486 VanDerWaalsContact C-N 3.29Å; G484-F486 PolarHBondContact O-N 3.14Å; G484-A487 WeakPolarHBondContact O-CA 3.41Å; G484-A487 WeakPolarHBondContact O-CB 3.43Å; G484-A487 PolarHBondContact O-N 2.85Å; G484-A487 VanDerWaalsContact O-N 3.07Å; G484-Y488 WeakPolarHBondContact O-CD2 3.48Å; G484-Y488 PolarHBondContact O-N 2.97Å
485A95.3Very high96.5Very high10 Ų1022.5 Ų22.58%0.08313%0.128CC..Hα-helixtrans-56.4-40.1-177.500000113.1A457 T483 E489A457-A485 HydrophobicContact CB-CB 3.59Å; T483-A485 VanDerWaalsContact C-N 3.3Å; T483-A485 PolarHBondContact O-N 3.42Å; A485-E489 PolarHBondContact O-N 2.94Å
486F96.6Very high96.4Very high21 Ų2124.9 Ų24.99%0.09214%0.139CC..Hα-helixtrans-68.1-45.5173.2-78.7-84.4000111.7A457 A460 A461 V464 G484 Y488 E489 L490 V544 L628A457-F486 HydrophobicContact CB-CD2 3.84Å; A457-F486 HydrophobicContact CB-CE2 3.44Å; A457-F486 VanDerWaalsContact CB-CE2 3.44Å; A457-F486 HydrophobicContact CB-CZ 4.21Å; A460-F486 HydrophobicContact CB-CE1 4.46Å; A460-F486 HydrophobicContact CB-CZ 4.07Å; A461-F486 VanDerWaalsContact CA-CE1 3.44Å; A461-F486 HydrophobicContact CB-CD1 3.72Å; A461-F486 HydrophobicContact CB-CE1 3.83Å; A461-F486 HydrophobicContact CB-CG 4.25Å; A461-F486 HydrophobicContact CB-CZ 4.41Å; V464-F486 HydrophobicContact CB-CD1 4.46Å; V464-F486 HydrophobicContact CB-CE1 4.08Å; V464-F486 HydrophobicContact CG1-CE1 4.43Å; V464-F486 HydrophobicContact CG2-CE1 4.02Å; G484-F486 VanDerWaalsContact C-N 3.29Å; G484-F486 PolarHBondContact O-N 3.14Å; F486-Y488 VanDerWaalsContact C-N 3.32Å; F486-Y488 PolarHBondContact O-N 2.82Å; F486-E489 PolarHBondContact O-N 3.5Å; F486-L490 WeakPolarHBondContact O-CB 3.17Å; F486-L490 VanDerWaalsContact O-CG 3.32Å; F486-L490 WeakPolarHBondContact O-CG 3.43Å; F486-L490 PolarHBondContact O-N 3.12Å; F486-V544 HydrophobicContact CD1-CG1 4.4Å; F486-V544 HydrophobicContact CD1-CG2 4.12Å; F486-V544 HydrophobicContact CD2-CB 4.3Å; F486-V544 HydrophobicContact CD2-CG1 4.03Å; F486-V544 HydrophobicContact CD2-CG2 4.37Å; F486-V544 HydrophobicContact CE1-CG1 3.94Å; F486-V544 HydrophobicContact CE1-CG2 4.38Å; F486-V544 HydrophobicContact CE2-CB 4.31Å; F486-V544 HydrophobicContact CE2-CG1 3.56Å; F486-V544 HydrophobicContact CG-CG1 4.45Å; F486-V544 HydrophobicContact CG-CG2 4.12Å; F486-V544 HydrophobicContact CZ-CG1 3.53Å; F486-L628 HydrophobicContact CZ-CD1 3.85Å
487A97.1Very high96.4Very high0 Ų024.8 Ų24.80%014%0.138CC..Hα-helixtrans-54.7-44.1175.500000113G484 L490 T491 V499 V501 V523G484-A487 WeakPolarHBondContact O-CA 3.41Å; G484-A487 WeakPolarHBondContact O-CB 3.43Å; G484-A487 PolarHBondContact O-N 2.85Å; G484-A487 VanDerWaalsContact O-N 3.07Å; A487-L490 PolarHBondContact O-N 3.46Å; A487-T491 WeakPolarHBondContact O-CG2 3.08Å; A487-T491 PolarHBondContact O-N 2.88Å; A487-T491 PolarHBondContact O-OG1 3.12Å; A487-V499 HydrophobicContact CB-CB 3.89Å; A487-V499 HydrophobicContact CB-CG1 3.54Å; A487-V499 HydrophobicContact CB-CG2 4.41Å; A487-V501 HydrophobicContact CB-CG2 3.62Å; A487-V523 HydrophobicContact CB-CG1 3.87Å; A487-V523 HydrophobicContact CB-CG2 4.16Å
488Y96.3Very high96.4Very high18 Ų1827.2 Ų27.27%0.07116%0.155CC..Hα-helixtrans-66.8-40.5177.3-73-62.6000113.1G484 F486 T491 K492 H518 D520 V523 F525G484-Y488 WeakPolarHBondContact O-CD2 3.48Å; G484-Y488 PolarHBondContact O-N 2.97Å; F486-Y488 VanDerWaalsContact C-N 3.32Å; F486-Y488 PolarHBondContact O-N 2.82Å; Y488-T491 WeakPolarHBondContact CA-OG1 3.29Å; Y488-T491 PolarHBondContact O-OG1 2.83Å; Y488-K492 VanDerWaalsContact O-CB 3.27Å; Y488-K492 WeakPolarHBondContact O-CB 3.25Å; Y488-K492 PolarHBondContact O-N 3.29Å; Y488-K492 VanDerWaalsContact O-N 3.08Å; Y488-H518 HydrophobicContact CD1-CB 3.5Å; Y488-H518 HydrophobicContact CD2-CB 4Å; Y488-H518 AromaticContact CD2-CD2 3.79Å; Y488-H518 AromaticContact CD2-CG 3.9Å; Y488-H518 HydrophobicContact CE1-CB 3.41Å; Y488-H518 VanDerWaalsContact CE1-CB 3.41Å; Y488-H518 HydrophobicContact CE2-CB 3.94Å; Y488-H518 HydrophobicContact CG-CB 3.81Å; Y488-H518 AromaticContact CG-CG 3.82Å; Y488-D520 HydrophobicContact CD1-CB 4.06Å; Y488-D520 HydrophobicContact CE1-CB 4.12Å; Y488-V523 HydrophobicContact CD1-CB 3.97Å; Y488-V523 HydrophobicContact CD1-CG1 4.37Å; Y488-V523 HydrophobicContact CD1-CG2 3.53Å; Y488-V523 HydrophobicContact CE1-CB 3.57Å; Y488-V523 HydrophobicContact CE1-CG1 3.96Å; Y488-V523 HydrophobicContact CE1-CG2 3.7Å; Y488-V523 HydrophobicContact CE2-CG1 4.26Å; Y488-V523 HydrophobicContact CG-CG2 4.18Å; Y488-F525 HydrophobicContact CE2-CZ 4.49Å
489E95.8Very high96.3Very high39 Ų3927.2 Ų27.218%0.18216%0.155CC..Hα-helixtrans-72-33.3177.2-163.764.9-152.100111.8A461 A462 A465 A485 F486 K492 T493A461-E489 HydrophobicContact CB-CB 3.77Å; A461-E489 HydrophobicContact CB-CG 4.09Å; A462-E489 HydrophobicContact CB-CG 4.22Å; A465-E489 HydrophobicContact CB-CG 4.25Å; A485-E489 PolarHBondContact O-N 2.94Å; F486-E489 PolarHBondContact O-N 3.5Å; E489-K492 PolarHBondContact O-N 3.21Å; E489-K492 IonicContact OE1-NZ 2.84Å; E489-K492 PolarHBondContact OE1-NZ 3Å; E489-K492 IonicContact OE2-NZ 2.61Å; E489-K492 PolarHBondContact OE2-NZ 3.02Å; E489-T493 WeakPolarHBondContact O-CB 3.38Å; E489-T493 PolarHBondContact O-N 2.94Å; E489-T493 PolarHBondContact O-OG1 3.3Å
490L96.7Very high96.3Very high3 Ų328.1 Ų28.12%0.01616%0.162CC..Hα-helixtrans-64.5-49.7174.5-79.5166.2000111.9A465 L470 F486 A487 K492 T493 H494 L497 I542 L573A465-L490 HydrophobicContact CB-CD2 3.84Å; A465-L490 HydrophobicContact CB-CG 4.22Å; L470-L490 HydrophobicContact CD1-CD2 3.71Å; F486-L490 WeakPolarHBondContact O-CB 3.17Å; F486-L490 VanDerWaalsContact O-CG 3.32Å; F486-L490 WeakPolarHBondContact O-CG 3.43Å; F486-L490 PolarHBondContact O-N 3.12Å; A487-L490 PolarHBondContact O-N 3.46Å; L490-K492 VanDerWaalsContact C-N 3.28Å; L490-K492 PolarHBondContact O-N 3.08Å; L490-T493 PolarHBondContact O-N 3.42Å; L490-T493 VanDerWaalsContact O-N 3.17Å; L490-H494 WeakPolarHBondContact O-CB 3.41Å; L490-H494 PolarHBondContact O-CD2 3.15Å; L490-H494 PolarHBondContact O-N 2.82Å; L490-L497 HydrophobicContact CB-CD2 4.22Å; L490-I542 HydrophobicContact CD1-CD1 3.5Å; L490-I542 HydrophobicContact CD1-CG1 4.43Å; L490-L573 HydrophobicContact CD2-CD2 4.49Å
491T96.3Very high96.4Very high0 Ų027.5 Ų27.50%016%0.156CC..Hα-helixtrans-63.2-34.817749.40000112.1A487 Y488 H494 L497 V499 D520 R522 V523A487-T491 WeakPolarHBondContact O-CG2 3.08Å; A487-T491 PolarHBondContact O-N 2.88Å; A487-T491 PolarHBondContact O-OG1 3.12Å; Y488-T491 WeakPolarHBondContact CA-OG1 3.29Å; Y488-T491 PolarHBondContact O-OG1 2.83Å; T491-H494 CarbonylContact O-C 3.56Å; T491-H494 VanDerWaalsContact O-O 3.07Å; T491-L497 WeakPolarHBondContact CG2-O 3.37Å; T491-V499 HydrophobicContact CG2-CB 4.32Å; T491-V499 HydrophobicContact CG2-CG2 3.63Å; T491-D520 PolarHBondContact OG1-OD2 2.74Å; T491-R522 VanDerWaalsContact C-NH2 3.33Å; T491-R522 HydrophobicContact CG2-CB 4.11Å; T491-R522 VanDerWaalsContact O-CZ 3.24Å; T491-R522 PolarHBondContact O-NH1 3.06Å; T491-R522 PolarHBondContact O-NH2 3.37Å; T491-V523 HydrophobicContact CG2-CG2 3.72Å
492K94.5Very high96.5Very high115 Ų11527.1 Ų27.150%0.515%0.152SC..Hα-helixtrans-66.8-39.2173.1178.9-174.9161.5-144.40112.9Y488 E489 L490Y488-K492 VanDerWaalsContact O-CB 3.27Å; Y488-K492 WeakPolarHBondContact O-CB 3.25Å; Y488-K492 PolarHBondContact O-N 3.29Å; Y488-K492 VanDerWaalsContact O-N 3.08Å; E489-K492 PolarHBondContact O-N 3.21Å; E489-K492 IonicContact OE1-NZ 2.84Å; E489-K492 PolarHBondContact OE1-NZ 3Å; E489-K492 IonicContact OE2-NZ 2.61Å; E489-K492 PolarHBondContact OE2-NZ 3.02Å; L490-K492 VanDerWaalsContact C-N 3.28Å; L490-K492 PolarHBondContact O-N 3.08Å
493T96.1Very high96.6Very high46 Ų4627 Ų2728%0.28215%0.149SC..Hα-helixtrans-77.8-33.9-179.7-55.10000111.9A465 T466 E489 L490 P495A465-T493 HydrophobicContact CB-CG2 4.36Å; T466-T493 HydrophobicContact CG2-CG2 3.75Å; E489-T493 WeakPolarHBondContact O-CB 3.38Å; E489-T493 PolarHBondContact O-N 2.94Å; E489-T493 PolarHBondContact O-OG1 3.3Å; L490-T493 PolarHBondContact O-N 3.42Å; L490-T493 VanDerWaalsContact O-N 3.17Å; T493-P495 WeakPolarHBondContact O-CD 3.34Å
494H96.5Very high96.6Very high20 Ų2030.7 Ų30.79%0.09317%0.169CC..SBendtrans-120.991-177.5-58.6-75.1000109.3A465 L470 L490 T491 D496 L497 R522A465-H494 PolarHBondContact O-NE2 3.35Å; L470-H494 PolarHBondContact N-CE1 3.02Å; L490-H494 WeakPolarHBondContact O-CB 3.41Å; L490-H494 PolarHBondContact O-CD2 3.15Å; L490-H494 PolarHBondContact O-N 2.82Å; T491-H494 CarbonylContact O-C 3.56Å; T491-H494 VanDerWaalsContact O-O 3.07Å; H494-D496 PolarHBondContact O-N 2.96Å; H494-D496 VanDerWaalsContact O-N 3.12Å; H494-L497 HydrophobicContact CB-CB 3.89Å; H494-L497 HydrophobicContact CB-CD2 4.38Å; H494-L497 WeakPolarHBondContact O-CB 3.45Å; H494-L497 PolarHBondContact O-N 3.26Å; H494-R522 PolarHBondContact O-NH1 2.72Å
495P92.5Very high96.6Very high92 Ų9234.3 Ų34.360%0.59719%0.192SC*.THydrogen-bonded Turntrans-61.7-22.5-170.3-27.136.4000115.6T493 R522T493-P495 WeakPolarHBondContact O-CD 3.34Å; P495-R522 VanDerWaalsContact CA-NH1 3.32Å; P495-R522 PolarHBondContact O-NH1 3.2Å
496D95.9Very high96.5Very high107 Ų10735.4 Ų35.457%0.57220%0.201SC*.THydrogen-bonded Turntrans-90.6-7.7179.1-70.2-7.2000113.5K474 H494K474-D496 HydrophobicContact CD-CB 3.98Å; K474-D496 IonicContact NZ-OD2 2.74Å; K474-D496 PolarHBondContact NZ-OD2 3.1Å; H494-D496 PolarHBondContact O-N 2.96Å; H494-D496 VanDerWaalsContact O-N 3.12Å
497L98Very high96.4Very high1 Ų135.3 Ų35.31%0.00520%0.203CC..  trans-82.9134.7-177.3-171.165.7000110.3Y473 A476 L490 T491 H494 V499 R522Y473-L497 WeakPolarHBondContact O-CD1 3.48Å; A476-L497 HydrophobicContact CB-CD1 4Å; A476-L497 HydrophobicContact CB-CD2 4.46Å; A476-L497 HydrophobicContact CB-CG 4.43Å; L490-L497 HydrophobicContact CB-CD2 4.22Å; T491-L497 WeakPolarHBondContact CG2-O 3.37Å; H494-L497 HydrophobicContact CB-CB 3.89Å; H494-L497 HydrophobicContact CB-CD2 4.38Å; H494-L497 WeakPolarHBondContact O-CB 3.45Å; H494-L497 PolarHBondContact O-N 3.26Å; L497-V499 HydrophobicContact CD2-CG2 4.04Å; L497-V499 HydrophobicContact CG-CG2 4.06Å; L497-R522 PolarHBondContact O-NH1 3.21Å
498S98.3Very high96.3Very high51 Ų5136.5 Ų36.536%0.35721%0.21SC..EExtended strand (participates in β ladder)trans-113.7138165.6-59.80000110.1K474 T475 A476 R522K474-S498 PolarHBondContact O-N 3.39Å; T475-S498 CarbonylContact C-O 3.5Å; T475-S498 WeakPolarHBondContact CA-O 3.24Å; A476-S498 PolarHBondContact N-O 2.94Å; S498-R522 CarbonylContact C-O 3.53Å; S498-R522 WeakPolarHBondContact CA-O 3.42Å
499V98.4Very high96.1Very high2 Ų243 Ų431%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-124.6124.5-172.3-171.50000110.6A476 D478 A487 T491 L497 R522 V523 T524 I542A476-V499 HydrophobicContact CB-CG1 4.36Å; A476-V499 HydrophobicContact CB-CG2 4.19Å; A476-V499 CarbonylContact O-C 3.48Å; A476-V499 WeakPolarHBondContact O-CA 3.24Å; D478-V499 HydrophobicContact CB-CG1 3.85Å; A487-V499 HydrophobicContact CB-CB 3.89Å; A487-V499 HydrophobicContact CB-CG1 3.54Å; A487-V499 HydrophobicContact CB-CG2 4.41Å; T491-V499 HydrophobicContact CG2-CB 4.32Å; T491-V499 HydrophobicContact CG2-CG2 3.63Å; L497-V499 HydrophobicContact CD2-CG2 4.04Å; L497-V499 HydrophobicContact CG-CG2 4.06Å; V499-R522 PolarHBondContact N-O 3.44Å; V499-V523 WeakPolarHBondContact O-CA 3.44Å; V499-T524 PolarHBondContact O-N 3.25Å; V499-I542 HydrophobicContact CG1-CD1 4.33Å
500A98.2Very high96Very high19 Ų1941.9 Ų41.916%0.15724%0.236CC..EExtended strand (participates in β ladder)trans-95114.1167.600000109.6A476 C477 D478 T524 P536A476-A500 PolarHBondContact O-N 3.11Å; C477-A500 CarbonylContact C-O 3.57Å; C477-A500 VanDerWaalsContact CA-O 3.32Å; C477-A500 WeakPolarHBondContact CA-O 3.13Å; D478-A500 PolarHBondContact N-O 3.43Å; A500-T524 CarbonylContact C-O 3.4Å; A500-P536 HydrophobicContact CB-CB 4.08Å; A500-P536 HydrophobicContact CB-CG 4.2Å
501V98.2Very high95.7Very high0 Ų041.8 Ų41.80%024%0.235CC..EExtended strand (participates in β ladder)trans-82115.3173.1178.90000108.5D478 A487 V523 T524 F525 K526D478-V501 HydrophobicContact CB-CG2 4.35Å; A487-V501 HydrophobicContact CB-CG2 3.62Å; V501-V523 HydrophobicContact CG2-CG1 4.01Å; V501-T524 PolarHBondContact N-O 3.25Å; V501-F525 HydrophobicContact CB-CD1 3.85Å; V501-F525 HydrophobicContact CB-CE1 3.96Å; V501-F525 HydrophobicContact CB-CG 4.26Å; V501-F525 HydrophobicContact CB-CZ 4.45Å; V501-F525 HydrophobicContact CG1-CD1 3.81Å; V501-F525 HydrophobicContact CG1-CE1 3.76Å; V501-F525 HydrophobicContact CG2-CE1 4.25Å; V501-F525 HydrophobicContact CG2-CZ 4.3Å; V501-F525 CarbonylContact O-C 3.59Å; V501-F525 WeakPolarHBondContact O-CA 3.38Å; V501-K526 PolarHBondContact O-N 3.07Å
502L98.4Very high95.3Very high2 Ų242.7 Ų42.71%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-100.9119.3174.3175.967.8000109.1D478 G480 K526 F530 L535 P536D478-L502 PolarHBondContact O-N 3.27Å; G480-L502 WeakPolarHBondContact CA-O 3.45Å; G480-L502 PolarHBondContact N-O 3.14Å; L502-K526 WeakPolarHBondContact CA-O 3.27Å; L502-K526 HydrophobicContact CD1-CB 4.31Å; L502-K526 HydrophobicContact CD1-CD 4.34Å; L502-K526 HydrophobicContact CD1-CG 4.31Å; L502-F530 HydrophobicContact CD2-CB 3.84Å; L502-L535 HydrophobicContact CD2-CD2 3.45Å; L502-L535 VanDerWaalsContact CD2-CD2 3.45Å; L502-P536 HydrophobicContact CB-CG 4.44Å
503D98Very high94.9Very high16 Ų1640.5 Ų40.59%0.08624%0.242CC..EExtended strand (participates in β ladder)trans-148.5170.8174.2-145.8-61000110.9G480 C482 V507 V508 K526 A527 G528G480-D503 WeakPolarHBondContact CA-OD2 3.27Å; C482-D503 WeakPolarHBondContact CA-OD2 3.49Å; C482-D503 PolarHBondContact N-OD2 3.41Å; D503-V507 HydrophobicContact CB-CB 4.2Å; D503-V507 HydrophobicContact CB-CG1 4.06Å; D503-V507 WeakPolarHBondContact OD1-CB 3.46Å; D503-V507 WeakPolarHBondContact OD1-CG2 3.3Å; D503-V508 HydrophobicContact CB-CG2 4.06Å; D503-K526 PolarHBondContact N-O 2.85Å; D503-A527 CarbonylContact O-C 3.51Å; D503-A527 WeakPolarHBondContact O-CA 3.4Å; D503-G528 CarbonylContact C-O 3.44Å; D503-G528 VanDerWaalsContact C-O 3.23Å; D503-G528 PolarHBondContact O-N 3.14Å; D503-G528 VanDerWaalsContact O-O 3.05Å
504L96.5Very high94.5Very high82 Ų8238.5 Ų38.543%0.42923%0.23SC..  trans-56.4145.9179.8-66.4174.9000110.9A506 V507 V508 G528 D529L504-A506 VanDerWaalsContact C-N 3.28Å; L504-A506 PolarHBondContact O-N 3.28Å; L504-A506 VanDerWaalsContact O-N 3.11Å; L504-V507 HydrophobicContact CB-CG2 4.23Å; L504-V507 WeakPolarHBondContact O-CA 3.42Å; L504-V507 WeakPolarHBondContact O-CB 3.42Å; L504-V507 PolarHBondContact O-N 3.49Å; L504-V508 PolarHBondContact O-N 3.31Å; L504-G528 PolarHBondContact N-O 2.96Å; L504-D529 HydrophobicContact CD2-CB 4.2Å
505P95.1Very high93.8Very high76 Ų7640.4 Ų40.449%0.49424%0.238SC..Hα-helixtrans-50.2-44.2-175.9-28.933.3000114.5V507 V508 E509 A527P505-V507 VanDerWaalsContact C-N 3.34Å; P505-V507 PolarHBondContact O-N 2.99Å; P505-V508 PolarHBondContact O-N 2.71Å; P505-E509 WeakPolarHBondContact O-CB 3.13Å; P505-E509 PolarHBondContact O-N 2.89Å; P505-A527 HydrophobicContact CB-CB 4.1Å; P505-A527 HydrophobicContact CG-CB 4.17Å
506A92.6Very high92.5Very high33 Ų3346.2 Ų46.227%0.27325%0.248SC..Hα-helixtrans-63.8-37.1178.100000112.9L504 M510L504-A506 VanDerWaalsContact C-N 3.28Å; L504-A506 PolarHBondContact O-N 3.28Å; L504-A506 VanDerWaalsContact O-N 3.11Å; A506-M510 HydrophobicContact CB-CE 4.19Å; A506-M510 WeakPolarHBondContact O-CB 2.95Å; A506-M510 WeakPolarHBondContact O-CE 3.38Å; A506-M510 WeakPolarHBondContact O-CG 3.48Å; A506-M510 PolarHBondContact O-N 3.21Å; A506-M510 VanDerWaalsContact O-N 3.12Å
507V94.7Very high91.1Very high20 Ų2047.2 Ų47.212%0.12125%0.25CC..Hα-helixtrans-69-43.7178.8177.30000110.1M450 D503 L504 P505 M510 S511M450-V507 HydrophobicContact CE-CG1 3.9Å; M450-V507 WeakPolarHBondContact CE-O 3.25Å; M450-V507 HydrophobicContact SD-CG1 4.1Å; D503-V507 HydrophobicContact CB-CB 4.2Å; D503-V507 HydrophobicContact CB-CG1 4.06Å; D503-V507 WeakPolarHBondContact OD1-CB 3.46Å; D503-V507 WeakPolarHBondContact OD1-CG2 3.3Å; L504-V507 HydrophobicContact CB-CG2 4.23Å; L504-V507 WeakPolarHBondContact O-CA 3.42Å; L504-V507 WeakPolarHBondContact O-CB 3.42Å; L504-V507 PolarHBondContact O-N 3.49Å; P505-V507 VanDerWaalsContact C-N 3.34Å; P505-V507 PolarHBondContact O-N 2.99Å; V507-M510 PolarHBondContact O-N 3.2Å; V507-S511 WeakPolarHBondContact O-CB 3.47Å; V507-S511 PolarHBondContact O-N 3.2Å
508V95Very high89.7Confident25 Ų2550.7 Ų50.715%0.15227%0.266CS..Hα-helixtrans-60.7-46.4176.2172.90000111D503 L504 P505 M510 S511 F525 A527D503-V508 HydrophobicContact CB-CG2 4.06Å; L504-V508 PolarHBondContact O-N 3.31Å; P505-V508 PolarHBondContact O-N 2.71Å; V508-M510 VanDerWaalsContact C-N 3.32Å; V508-M510 PolarHBondContact O-N 2.85Å; V508-S511 WeakPolarHBondContact O-CB 3.3Å; V508-S511 PolarHBondContact O-N 3.21Å; V508-S511 VanDerWaalsContact O-N 3.15Å; V508-S511 PolarHBondContact O-OG 2.71Å; V508-F525 HydrophobicContact CG1-CB 3.86Å; V508-A527 HydrophobicContact CB-CB 4.3Å; V508-A527 HydrophobicContact CG1-CB 4.46Å; V508-A527 HydrophobicContact CG2-CB 4.33Å
509E93.4Very high88.3Confident155 Ų15553.6 Ų53.672%0.72429%0.293SS*.Hα-helixtrans-57.8-43.3176.9-173.1-178.1178.400112.3P505 S511P505-E509 WeakPolarHBondContact O-CB 3.13Å; P505-E509 PolarHBondContact O-N 2.89Å; E509-S511 VanDerWaalsContact C-N 3.3Å; E509-S511 PolarHBondContact O-N 3.4Å
510M92.7Very high87.7Confident15 Ų1555.5 Ų55.57%0.07430%0.303CS..Hα-helixtrans-78.5-8.5179.9-69.1-177.3-74.100114.4Q443 K446 L447 M450 A506 V507 V508 G512 P513Q443-M510 HydrophobicContact CG-CG 4.32Å; Q443-M510 HydrophobicContact CG-SD 3.47Å; Q443-M510 WeakPolarHBondContact CG-SD 3.45Å; K446-M510 HydrophobicContact CB-CE 3.66Å; K446-M510 HydrophobicContact CB-SD 4.26Å; K446-M510 HydrophobicContact CD-CE 3.83Å; K446-M510 HydrophobicContact CG-CE 4.37Å; L447-M510 HydrophobicContact CB-SD 4.46Å; M450-M510 HydrophobicContact CE-CB 3.93Å; M450-M510 HydrophobicContact SD-CB 3.85Å; M450-M510 HydrophobicContact SD-CE 3.91Å; M450-M510 HydrophobicContact SD-SD 4.39Å; A506-M510 HydrophobicContact CB-CE 4.19Å; A506-M510 WeakPolarHBondContact O-CB 2.95Å; A506-M510 WeakPolarHBondContact O-CE 3.38Å; A506-M510 WeakPolarHBondContact O-CG 3.48Å; A506-M510 PolarHBondContact O-N 3.21Å; A506-M510 VanDerWaalsContact O-N 3.12Å; V507-M510 PolarHBondContact O-N 3.2Å; V508-M510 VanDerWaalsContact C-N 3.32Å; V508-M510 PolarHBondContact O-N 2.85Å; M510-G512 VanDerWaalsContact C-N 3.3Å; M510-G512 PolarHBondContact O-N 2.68Å; M510-P513 WeakPolarHBondContact O-CD 3.23Å
511S91Very high87.3Confident0 Ų064 Ų640%034%0.337CS..THydrogen-bonded Turntrans-76.4-15.6-174.669.40000113.8V507 V508 E509 F514 Q515V507-S511 WeakPolarHBondContact O-CB 3.47Å; V507-S511 PolarHBondContact O-N 3.2Å; V508-S511 WeakPolarHBondContact O-CB 3.3Å; V508-S511 PolarHBondContact O-N 3.21Å; V508-S511 VanDerWaalsContact O-N 3.15Å; V508-S511 PolarHBondContact O-OG 2.71Å; E509-S511 VanDerWaalsContact C-N 3.3Å; E509-S511 PolarHBondContact O-N 3.4Å; S511-F514 WeakPolarHBondContact O-CB 3.42Å; S511-F514 PolarHBondContact O-N 3.18Å; S511-Q515 WeakPolarHBondContact O-CG 3.31Å; S511-Q515 PolarHBondContact O-N 2.88Å; S511-Q515 VanDerWaalsContact O-N 3.12Å; S511-Q515 PolarHBondContact OG-NE2 2.99Å
512G87.1Confident87.2Confident19 Ų1967.1 Ų67.120%0.19635%0.348CS..Hα-helixtrans-49.3-46.7-175.500000116.1M510 F514 Q515 R516M510-G512 VanDerWaalsContact C-N 3.3Å; M510-G512 PolarHBondContact O-N 2.68Å; G512-F514 VanDerWaalsContact C-N 3.26Å; G512-F514 PolarHBondContact O-N 3.34Å; G512-Q515 WeakPolarHBondContact O-CB 3.46Å; G512-Q515 PolarHBondContact O-N 3.37Å; G512-R516 WeakPolarHBondContact O-CG 3.5Å; G512-R516 PolarHBondContact O-N 3.16Å; G512-R516 VanDerWaalsContact O-N 3.09Å
513P87Confident87.1Confident70 Ų7067.5 Ų67.546%0.45535%0.351SS..Hα-helixtrans-60.3-31.3176.6-25.536.1000114.3M510M510-P513 WeakPolarHBondContact O-CD 3.23Å
514F87.4Confident87Confident4 Ų470.4 Ų70.42%0.01837%0.369CS..Hα-helixtrans-75.5-37.7175.9-57.3-91.8000111L447 M450 H451 H454 T483 S511 G512 Q517L447-F514 HydrophobicContact CD1-CE2 4.01Å; L447-F514 HydrophobicContact CD1-CZ 4.34Å; M450-F514 HydrophobicContact CB-CE2 4.42Å; M450-F514 HydrophobicContact CB-CZ 4.24Å; M450-F514 HydrophobicContact CE-CD2 4.48Å; M450-F514 HydrophobicContact CE-CE2 4.1Å; H451-F514 AromaticContact CD2-CZ 3.79Å; H451-F514 AromaticContact CE1-CE1 3.61Å; H451-F514 AromaticContact CE1-CZ 3.42Å; H451-F514 VanDerWaalsContact CE1-CZ 3.42Å; H451-F514 WeakPolarHBondContact CE1-CZ 3.25Å; H451-F514 AromaticContact CG-CE1 3.97Å; H451-F514 AromaticContact CG-CZ 3.69Å; H451-F514 AromaticContact ND1-CE1 3.41Å; H451-F514 WeakPolarHBondContact ND1-CE1 3.48Å; H451-F514 AromaticContact ND1-CZ 3.48Å; H451-F514 WeakPolarHBondContact ND1-CZ 3.23Å; H451-F514 AromaticContact NE2-CZ 3.62Å; H454-F514 HydrophobicContact CB-CD1 4.15Å; H454-F514 HydrophobicContact CB-CE1 3.91Å; H454-F514 AromaticContact CD2-CD1 3.97Å; H454-F514 AromaticContact CE1-CD1 3.93Å; H454-F514 AromaticContact CG-CD1 3.66Å; H454-F514 AromaticContact CG-CE1 3.87Å; H454-F514 AromaticContact ND1-CD1 3.63Å; T483-F514 HydrophobicContact CG2-CB 4.24Å; T483-F514 HydrophobicContact CG2-CD1 3.66Å; T483-F514 HydrophobicContact CG2-CD2 3.71Å; T483-F514 HydrophobicContact CG2-CE1 3.81Å; T483-F514 HydrophobicContact CG2-CE2 3.87Å; T483-F514 HydrophobicContact CG2-CG 3.6Å; T483-F514 HydrophobicContact CG2-CZ 3.91Å; S511-F514 WeakPolarHBondContact O-CB 3.42Å; S511-F514 PolarHBondContact O-N 3.18Å; G512-F514 VanDerWaalsContact C-N 3.26Å; G512-F514 PolarHBondContact O-N 3.34Å; F514-Q517 PolarHBondContact O-N 3.38Å
515Q81.1Confident87.1Confident59 Ų5968.6 Ų68.628%0.27636%0.358SS..Hα-helixtrans-64.8-38.5177.6-61.5174.614.600112.5S511 G512 Q517 H518 F525S511-Q515 WeakPolarHBondContact O-CG 3.31Å; S511-Q515 PolarHBondContact O-N 2.88Å; S511-Q515 VanDerWaalsContact O-N 3.12Å; S511-Q515 PolarHBondContact OG-NE2 2.99Å; G512-Q515 WeakPolarHBondContact O-CB 3.46Å; G512-Q515 PolarHBondContact O-N 3.37Å; Q515-Q517 PolarHBondContact O-N 2.63Å; Q515-H518 CarbonylContact O-C 3.6Å; Q515-H518 WeakPolarHBondContact O-CA 3.34Å; Q515-H518 PolarHBondContact O-N 3.22Å; Q515-F525 HydrophobicContact CG-CD2 4.27Å; Q515-F525 HydrophobicContact CG-CE2 3.58Å; Q515-F525 HydrophobicContact CG-CZ 3.8Å
516R64.9Low87.2Confident214 Ų21469 Ų6981%0.80835%0.352SS*.THydrogen-bonded Turntrans-58.8-18.4-179.4-70.8177.6-166.2148.53.6113.9G512 H518G512-R516 WeakPolarHBondContact O-CG 3.5Å; G512-R516 PolarHBondContact O-N 3.16Å; G512-R516 VanDerWaalsContact O-N 3.09Å; R516-H518 VanDerWaalsContact C-N 3.27Å
517Q66.6Low87.4Confident129 Ų12970 Ų7060%0.60336%0.36SS*.THydrogen-bonded Turntrans-79.4-11.1175.2-56.4-176.710.800112.7F514 Q515F514-Q517 PolarHBondContact O-N 3.38Å; Q515-Q517 PolarHBondContact O-N 2.63Å
518H68.9Low87.5Confident74 Ų7469.1 Ų69.134%0.34336%0.355SS..  trans-135.9111.9-174.2-61.1-73.8000111.1Y488 Q515 R516 D520Y488-H518 HydrophobicContact CD1-CB 3.5Å; Y488-H518 HydrophobicContact CD2-CB 4Å; Y488-H518 AromaticContact CD2-CD2 3.79Å; Y488-H518 AromaticContact CD2-CG 3.9Å; Y488-H518 HydrophobicContact CE1-CB 3.41Å; Y488-H518 VanDerWaalsContact CE1-CB 3.41Å; Y488-H518 HydrophobicContact CE2-CB 3.94Å; Y488-H518 HydrophobicContact CG-CB 3.81Å; Y488-H518 AromaticContact CG-CG 3.82Å; Q515-H518 CarbonylContact O-C 3.6Å; Q515-H518 WeakPolarHBondContact O-CA 3.34Å; Q515-H518 PolarHBondContact O-N 3.22Å; R516-H518 VanDerWaalsContact C-N 3.27Å; H518-D520 VanDerWaalsContact C-N 3.33Å; H518-D520 PolarHBondContact O-N 3.03Å
519A68.2Low87.6Confident112 Ų11269.5 Ų69.593%0.92636%0.356SS*.  trans-9443.1-178.800000113.1
520D86.3Confident87.7Confident41 Ų4163.4 Ų63.422%0.21933%0.327CS..  trans-98.8107.4-179.9-159.7-27.7000111.9Y488 T491 H518 R522 V523Y488-D520 HydrophobicContact CD1-CB 4.06Å; Y488-D520 HydrophobicContact CE1-CB 4.12Å; T491-D520 PolarHBondContact OG1-OD2 2.74Å; H518-D520 VanDerWaalsContact C-N 3.33Å; H518-D520 PolarHBondContact O-N 3.03Å; D520-R522 PolarHBondContact O-N 3.49Å; D520-R522 VanDerWaalsContact O-N 3.15Å; D520-R522 VanDerWaalsContact OD1-CB 3.24Å; D520-R522 WeakPolarHBondContact OD1-CB 3.15Å; D520-R522 WeakPolarHBondContact OD1-CG 3.33Å; D520-R522 IonicContact OD1-CZ 3.81Å; D520-R522 PolarHBondContact OD1-N 3.48Å; D520-R522 IonicContact OD1-NE 2.9Å; D520-R522 PolarHBondContact OD1-NE 3.47Å; D520-R522 IonicContact OD1-NH2 3.98Å; D520-R522 IonicContact OD2-CZ 3.89Å; D520-R522 VanDerWaalsContact OD2-CZ 3.32Å; D520-R522 IonicContact OD2-NE 3.25Å; D520-R522 PolarHBondContact OD2-NE 3.12Å; D520-R522 IonicContact OD2-NH2 2.81Å; D520-R522 PolarHBondContact OD2-NH2 2.96Å; D520-V523 PolarHBondContact O-N 3.14Å; D520-V523 VanDerWaalsContact O-N 3.17Å
521K90.1Very high87.9Confident199 Ų19964.6 Ų64.687%0.86533%0.334SS*.THydrogen-bonded Turntrans-66.5-11.9179.6-65.9-178.8174.9177.70113.7V523K521-V523 VanDerWaalsContact C-N 3.27Å
522R95.6Very high88Confident64 Ų6471.7 Ų71.724%0.24237%0.365CS..THydrogen-bonded Turntrans-79.4-11.6176.6-61.8175.9-66146.6-7.4112.7T491 H494 P495 L497 S498 V499 D520T491-R522 VanDerWaalsContact C-NH2 3.33Å; T491-R522 HydrophobicContact CG2-CB 4.11Å; T491-R522 VanDerWaalsContact O-CZ 3.24Å; T491-R522 PolarHBondContact O-NH1 3.06Å; T491-R522 PolarHBondContact O-NH2 3.37Å; H494-R522 PolarHBondContact O-NH1 2.72Å; P495-R522 VanDerWaalsContact CA-NH1 3.32Å; P495-R522 PolarHBondContact O-NH1 3.2Å; L497-R522 PolarHBondContact O-NH1 3.21Å; S498-R522 CarbonylContact C-O 3.53Å; S498-R522 WeakPolarHBondContact CA-O 3.42Å; V499-R522 PolarHBondContact N-O 3.44Å; D520-R522 PolarHBondContact O-N 3.49Å; D520-R522 VanDerWaalsContact O-N 3.15Å; D520-R522 VanDerWaalsContact OD1-CB 3.24Å; D520-R522 WeakPolarHBondContact OD1-CB 3.15Å; D520-R522 WeakPolarHBondContact OD1-CG 3.33Å; D520-R522 IonicContact OD1-CZ 3.81Å; D520-R522 PolarHBondContact OD1-N 3.48Å; D520-R522 IonicContact OD1-NE 2.9Å; D520-R522 PolarHBondContact OD1-NE 3.47Å; D520-R522 IonicContact OD1-NH2 3.98Å; D520-R522 IonicContact OD2-CZ 3.89Å; D520-R522 VanDerWaalsContact OD2-CZ 3.32Å; D520-R522 IonicContact OD2-NE 3.25Å; D520-R522 PolarHBondContact OD2-NE 3.12Å; D520-R522 IonicContact OD2-NH2 2.81Å; D520-R522 PolarHBondContact OD2-NH2 2.96Å
523V96.9Very high88.4Confident11 Ų1174.6 Ų74.67%0.06738%0.376CS..EExtended strand (participates in β ladder)trans-98.7120.1171.5-177.60000109.1A487 Y488 T491 V499 V501 D520 K521 F525A487-V523 HydrophobicContact CB-CG1 3.87Å; A487-V523 HydrophobicContact CB-CG2 4.16Å; Y488-V523 HydrophobicContact CD1-CB 3.97Å; Y488-V523 HydrophobicContact CD1-CG1 4.37Å; Y488-V523 HydrophobicContact CD1-CG2 3.53Å; Y488-V523 HydrophobicContact CE1-CB 3.57Å; Y488-V523 HydrophobicContact CE1-CG1 3.96Å; Y488-V523 HydrophobicContact CE1-CG2 3.7Å; Y488-V523 HydrophobicContact CE2-CG1 4.26Å; Y488-V523 HydrophobicContact CG-CG2 4.18Å; T491-V523 HydrophobicContact CG2-CG2 3.72Å; V499-V523 WeakPolarHBondContact O-CA 3.44Å; V501-V523 HydrophobicContact CG2-CG1 4.01Å; D520-V523 PolarHBondContact O-N 3.14Å; D520-V523 VanDerWaalsContact O-N 3.17Å; K521-V523 VanDerWaalsContact C-N 3.27Å; V523-F525 HydrophobicContact CG1-CE2 3.94Å
524T96.6Very high88.7Confident77 Ų7777.8 Ų77.847%0.47238%0.384SS..EExtended strand (participates in β ladder)trans-121.915417858.80000110V499 A500 V501V499-T524 PolarHBondContact O-N 3.25Å; A500-T524 CarbonylContact C-O 3.4Å; V501-T524 PolarHBondContact N-O 3.25Å
525F97Very high89.2Confident44 Ų4478 Ų7819%0.19339%0.386CS..EExtended strand (participates in β ladder)trans-116131.5179.7-72.3-105000110.1Y488 V501 V508 Q515 V523Y488-F525 HydrophobicContact CE2-CZ 4.49Å; V501-F525 HydrophobicContact CB-CD1 3.85Å; V501-F525 HydrophobicContact CB-CE1 3.96Å; V501-F525 HydrophobicContact CB-CG 4.26Å; V501-F525 HydrophobicContact CB-CZ 4.45Å; V501-F525 HydrophobicContact CG1-CD1 3.81Å; V501-F525 HydrophobicContact CG1-CE1 3.76Å; V501-F525 HydrophobicContact CG2-CE1 4.25Å; V501-F525 HydrophobicContact CG2-CZ 4.3Å; V501-F525 CarbonylContact O-C 3.59Å; V501-F525 WeakPolarHBondContact O-CA 3.38Å; V508-F525 HydrophobicContact CG1-CB 3.86Å; Q515-F525 HydrophobicContact CG-CD2 4.27Å; Q515-F525 HydrophobicContact CG-CE2 3.58Å; Q515-F525 HydrophobicContact CG-CZ 3.8Å; V523-F525 HydrophobicContact CG1-CE2 3.94Å
526K97.3Very high89.9Confident85 Ų8576 Ų7637%0.3738%0.378SS..EExtended strand (participates in β ladder)trans-120.3123174.9-169.7-176.8-177.4-169.70108.9V501 L502 D503 E534 P536V501-K526 PolarHBondContact O-N 3.07Å; L502-K526 WeakPolarHBondContact CA-O 3.27Å; L502-K526 HydrophobicContact CD1-CB 4.31Å; L502-K526 HydrophobicContact CD1-CD 4.34Å; L502-K526 HydrophobicContact CD1-CG 4.31Å; D503-K526 PolarHBondContact N-O 2.85Å; K526-E534 PolarHBondContact NZ-O 3.37Å; K526-P536 HydrophobicContact CD-CG 3.69Å
527A97.7Very high91.4Very high53 Ų5374.2 Ų74.244%0.43838%0.376SS..EExtended strand (participates in β ladder)trans-75.8130.6172.300000110.4D503 P505 V508D503-A527 CarbonylContact O-C 3.51Å; D503-A527 WeakPolarHBondContact O-CA 3.4Å; P505-A527 HydrophobicContact CB-CB 4.1Å; P505-A527 HydrophobicContact CG-CB 4.17Å; V508-A527 HydrophobicContact CB-CB 4.3Å; V508-A527 HydrophobicContact CG1-CB 4.46Å; V508-A527 HydrophobicContact CG2-CB 4.33Å
528G97Very high92.8Very high2 Ų268.5 Ų68.52%0.02135%0.351CS..  trans174.9160.2174.200000113.9D503 L504 D533D503-G528 CarbonylContact C-O 3.44Å; D503-G528 VanDerWaalsContact C-O 3.23Å; D503-G528 PolarHBondContact O-N 3.14Å; D503-G528 VanDerWaalsContact O-O 3.05Å; L504-G528 PolarHBondContact N-O 2.96Å; G528-D533 VanDerWaalsContact CA-OD2 3.3Å; G528-D533 WeakPolarHBondContact CA-OD2 3.38Å
529D96.5Very high94.2Very high32 Ų3268 Ų6817%0.17135%0.351CS..  trans-91.3108170.1-179-15.8000109L504 L531 K532 D533L504-D529 HydrophobicContact CD2-CB 4.2Å; D529-L531 PolarHBondContact O-N 3.04Å; D529-L531 WeakPolarHBondContact OD1-CB 3.41Å; D529-L531 PolarHBondContact OD1-N 2.9Å; D529-K532 HydrophobicContact CB-CB 4.36Å; D529-K532 PolarHBondContact O-N 3.07Å; D529-K532 WeakPolarHBondContact OD2-CD 3.49Å; D529-K532 VanDerWaalsContact OD2-CE 3.26Å; D529-K532 WeakPolarHBondContact OD2-CE 3.34Å; D529-K532 IonicContact OD2-NZ 2.83Å; D529-K532 PolarHBondContact OD2-NZ 2.89Å; D529-D533 PolarHBondContact N-OD2 3.5Å; D529-D533 WeakPolarHBondContact O-CB 3.47Å; D529-D533 PolarHBondContact O-N 3.3Å
530F96.4Very high95.7Very high28 Ų2862.7 Ų62.712%0.12331%0.307CS..THydrogen-bonded Turntrans-61.7-15.9-176.655.1-113.7000114.5V479 L502 L535 I546 L558 R561V479-F530 HydrophobicContact CG1-CB 3.62Å; V479-F530 HydrophobicContact CG1-CD1 3.72Å; V479-F530 HydrophobicContact CG1-CD2 4.46Å; V479-F530 HydrophobicContact CG1-CG 3.69Å; L502-F530 HydrophobicContact CD2-CB 3.84Å; F530-L535 HydrophobicContact CB-CD2 4Å; F530-I546 HydrophobicContact CZ-CG2 4.44Å; F530-L558 HydrophobicContact CB-CD1 4.26Å; F530-L558 HydrophobicContact CD2-CD1 3.83Å; F530-L558 HydrophobicContact CD2-CD2 4.13Å; F530-L558 HydrophobicContact CD2-CG 4.47Å; F530-L558 HydrophobicContact CE2-CD2 4.12Å; F530-L558 HydrophobicContact CG-CD1 4.31Å; F530-R561 WeakPolarHBondContact O-CD 3.43Å; F530-R561 PolarHBondContact O-NE 2.76Å; F530-R561 VanDerWaalsContact O-NE 3.14Å
531L95.8Very high96.2Very high40 Ų4060.8 Ų60.821%0.20930%0.296CS..THydrogen-bonded Turntrans-81-17.9174.7-62.5176.1000112.4D529 K554 I557 L558D529-L531 PolarHBondContact O-N 3.04Å; D529-L531 WeakPolarHBondContact OD1-CB 3.41Å; D529-L531 PolarHBondContact OD1-N 2.9Å; L531-K554 HydrophobicContact CD1-CB 4.35Å; L531-K554 HydrophobicContact CD1-CD 4.33Å; L531-K554 HydrophobicContact CD1-CG 4.21Å; L531-K554 HydrophobicContact CD2-CB 4.4Å; L531-I557 HydrophobicContact CD2-CG2 4.28Å; L531-L558 HydrophobicContact CD2-CB 4.05Å
532K94.3Very high96.7Very high149 Ų14951.3 Ų51.365%0.64826%0.255SS*.THydrogen-bonded Turntrans-126.4-48.6-170.9-59.2178.3-167.81370112.9D529 R561D529-K532 HydrophobicContact CB-CB 4.36Å; D529-K532 PolarHBondContact O-N 3.07Å; D529-K532 WeakPolarHBondContact OD2-CD 3.49Å; D529-K532 VanDerWaalsContact OD2-CE 3.26Å; D529-K532 WeakPolarHBondContact OD2-CE 3.34Å; D529-K532 IonicContact OD2-NZ 2.83Å; D529-K532 PolarHBondContact OD2-NZ 2.89Å; K532-R561 VanDerWaalsContact C-NH2 3.28Å; K532-R561 PolarHBondContact O-NH1 2.88Å; K532-R561 PolarHBondContact O-NH2 2.77Å
533D95.1Very high96.8Very high79 Ų7948.2 Ų48.242%0.42224%0.244SC..SBendtrans-84.9153.4-171.3-59.7-28.5000112.3G528 D529 L535 R561G528-D533 VanDerWaalsContact CA-OD2 3.3Å; G528-D533 WeakPolarHBondContact CA-OD2 3.38Å; D529-D533 PolarHBondContact N-OD2 3.5Å; D529-D533 WeakPolarHBondContact O-CB 3.47Å; D529-D533 PolarHBondContact O-N 3.3Å; D533-L535 PolarHBondContact O-N 2.61Å; D533-R561 PolarHBondContact O-NH2 2.79Å
534E93.6Very high96.8Very high137 Ų13748.3 Ų48.364%0.6424%0.244SC*.PPolyproline II helixtrans-61.9124-177.5-168.4-176.2179.200112K526K526-E534 PolarHBondContact NZ-O 3.37Å
535L96.5Very high96.8Very high10 Ų1046.5 Ų46.55%0.05223%0.229CC..PPolyproline II helixtrans-67.8138.1177.1-58.6179.4000110.1L502 F530 D533 K537 Y541 R561 I562L502-L535 HydrophobicContact CD2-CD2 3.45Å; L502-L535 VanDerWaalsContact CD2-CD2 3.45Å; F530-L535 HydrophobicContact CB-CD2 4Å; D533-L535 PolarHBondContact O-N 2.61Å; L535-K537 PolarHBondContact O-N 3.29Å; L535-Y541 HydrophobicContact CB-CE1 4.21Å; L535-Y541 HydrophobicContact CD1-CE1 4.32Å; L535-R561 HydrophobicContact CD1-CB 4.08Å; L535-I562 HydrophobicContact CD1-CB 4.41Å; L535-I562 HydrophobicContact CD1-CG1 3.69Å
536P96.3Very high96.7Very high16 Ų1645.4 Ų45.410%0.10422%0.224CC..PPolyproline II helixtrans-49.4133.4165.3-23.130.2000111.1C477 A500 L502 K526 A538 Y541C477-P536 HydrophobicContact CB-CB 4.27Å; A500-P536 HydrophobicContact CB-CB 4.08Å; A500-P536 HydrophobicContact CB-CG 4.2Å; L502-P536 HydrophobicContact CB-CG 4.44Å; K526-P536 HydrophobicContact CD-CG 3.69Å; P536-A538 PolarHBondContact O-N 3.14Å; P536-Y541 WeakPolarHBondContact O-CE1 3.18Å; P536-Y541 PolarHBondContact O-OH 2.87Å
537K95.9Very high96.7Very high177 Ų17741.3 Ų41.377%0.7721%0.207SC*.PPolyproline II helixtrans-68.7129.6171.4-66.2-173.8179.8-177.60108.9L535L535-K537 PolarHBondContact O-N 3.29Å
538A97.6Very high96.5Very high9 Ų938.9 Ų38.97%0.07419%0.186CC..  trans-153155.1-178.500000111.6T475 C477 P536 L540 Y541T475-A538 WeakPolarHBondContact OG1-CA 3.19Å; C477-A538 HydrophobicContact CB-CB 3.84Å; P536-A538 PolarHBondContact O-N 3.14Å; A538-L540 VanDerWaalsContact C-N 3.32Å; A538-Y541 HydrophobicContact CB-CE2 4.46Å; A538-Y541 PolarHBondContact N-OH 3.35Å
539D97.8Very high96.1Very high64 Ų6442.4 Ų42.434%0.34221%0.205SC..SBendtrans-79.1-21174.5-44.5-47.8000111.6Y473 K474 T475 C570 G571Y473-D539 HydrophobicContact CD1-CB 4Å; Y473-D539 WeakPolarHBondContact CD1-O 3.33Å; K474-D539 PolarHBondContact N-OD2 2.68Å; T475-D539 PolarHBondContact N-OD2 3.05Å; T475-D539 PolarHBondContact O-N 3.42Å; T475-D539 PolarHBondContact OG1-N 3.48Å; T475-D539 PolarHBondContact OG1-OD2 3Å; D539-C570 CarbonylContact O-C 3.38Å; D539-C570 VanDerWaalsContact O-CA 3.3Å; D539-C570 WeakPolarHBondContact O-CA 3.49Å; D539-G571 PolarHBondContact O-N 3.08Å
540L98.6Very high95.9Very high0 Ų041.8 Ų41.80%020%0.201CC..EExtended strand (participates in β ladder)trans-134.1124.2178.9177.265.1000110.8L470 Y473 T475 A476 C477 A538 I542 G571 L573 L632L470-L540 HydrophobicContact CD1-CD2 4.17Å; L470-L540 HydrophobicContact CD2-CD2 4.4Å; Y473-L540 HydrophobicContact CD1-CB 3.99Å; Y473-L540 HydrophobicContact CD2-CB 4.42Å; Y473-L540 HydrophobicContact CD2-CD1 4.42Å; Y473-L540 HydrophobicContact CD2-CD2 4.21Å; Y473-L540 HydrophobicContact CE2-CD1 4.38Å; Y473-L540 HydrophobicContact CG-CB 3.87Å; Y473-L540 HydrophobicContact CG-CD2 4.37Å; T475-L540 PolarHBondContact O-N 2.88Å; A476-L540 CarbonylContact C-O 3.51Å; A476-L540 WeakPolarHBondContact CA-O 3.22Å; A476-L540 HydrophobicContact CB-CB 3.97Å; A476-L540 HydrophobicContact CB-CD2 4.21Å; A476-L540 HydrophobicContact CB-CG 4.26Å; A476-L540 WeakPolarHBondContact CB-O 3.44Å; C477-L540 PolarHBondContact N-O 3.32Å; A538-L540 VanDerWaalsContact C-N 3.32Å; L540-I542 HydrophobicContact CD2-CD1 4.48Å; L540-I542 HydrophobicContact CD2-CG1 4.2Å; L540-I542 HydrophobicContact CG-CG1 4.12Å; L540-G571 CarbonylContact C-O 3.59Å; L540-G571 WeakPolarHBondContact CA-O 3.49Å; L540-L573 HydrophobicContact CD1-CB 4.09Å; L540-L632 HydrophobicContact CD1-CD1 4.17Å
541Y98.7Very high95.6Very high0 Ų041.5 Ų41.50%020%0.203CC..EExtended strand (participates in β ladder)trans-97.4138.5167.6-71.4-90.2000109.8C477 V479 L535 P536 A538 I562 A565 C566 G571 L572 L573C477-Y541 HydrophobicContact CB-CD1 3.67Å; C477-Y541 HydrophobicContact CB-CE1 3.67Å; V479-Y541 HydrophobicContact CG2-CD1 4.21Å; L535-Y541 HydrophobicContact CB-CE1 4.21Å; L535-Y541 HydrophobicContact CD1-CE1 4.32Å; P536-Y541 WeakPolarHBondContact O-CE1 3.18Å; P536-Y541 PolarHBondContact O-OH 2.87Å; A538-Y541 HydrophobicContact CB-CE2 4.46Å; A538-Y541 PolarHBondContact N-OH 3.35Å; Y541-I562 HydrophobicContact CD1-CG1 4.43Å; Y541-I562 HydrophobicContact CD1-CG2 4.15Å; Y541-I562 HydrophobicContact CD2-CG2 3.87Å; Y541-I562 HydrophobicContact CG-CG2 3.65Å; Y541-A565 HydrophobicContact CE2-CB 4.44Å; Y541-A565 WeakPolarHBondContact OH-CB 3.4Å; Y541-C566 VanDerWaalsContact CD2-SG 3.55Å; Y541-G571 PolarHBondContact N-O 2.64Å; Y541-L572 CarbonylContact O-C 3.59Å; Y541-L572 VanDerWaalsContact O-CA 3.32Å; Y541-L572 WeakPolarHBondContact O-CA 3.34Å; Y541-L573 PolarHBondContact O-N 2.99Å
542I98.7Very high95.4Very high0 Ų044.1 Ų44.10%022%0.217CC..EExtended strand (participates in β ladder)trans-119128.3-177.8-57.1155.1000108A476 C477 D478 V479 L490 V499 L540 V544 L573A476-I542 HydrophobicContact CB-CD1 3.7Å; A476-I542 HydrophobicContact CB-CG1 4.44Å; C477-I542 PolarHBondContact O-N 3.45Å; D478-I542 HydrophobicContact CB-CB 4.45Å; D478-I542 HydrophobicContact CB-CD1 4.4Å; V479-I542 PolarHBondContact N-O 3.27Å; L490-I542 HydrophobicContact CD1-CD1 3.5Å; L490-I542 HydrophobicContact CD1-CG1 4.43Å; V499-I542 HydrophobicContact CG1-CD1 4.33Å; L540-I542 HydrophobicContact CD2-CD1 4.48Å; L540-I542 HydrophobicContact CD2-CG1 4.2Å; L540-I542 HydrophobicContact CG-CG1 4.12Å; I542-V544 HydrophobicContact CG2-CG2 3.7Å; I542-L573 WeakPolarHBondContact CA-O 3.42Å; I542-L573 HydrophobicContact CG1-CB 4.29Å; I542-L573 HydrophobicContact CG1-CD2 4.4Å; I542-L573 HydrophobicContact CG2-CD2 4.34Å
543L98.5Very high95.4Very high0 Ų043.9 Ų43.90%022%0.218CC..EExtended strand (participates in β ladder)trans-125.6101175.5-68174000108V479 I546 L547 L558 L559 I562 L572 L573 L574 S575V479-L543 HydrophobicContact CB-CD2 3.84Å; V479-L543 HydrophobicContact CG1-CD2 4.16Å; L543-I546 HydrophobicContact CD2-CB 4.23Å; L543-I546 HydrophobicContact CD2-CG1 4.36Å; L543-I546 HydrophobicContact CD2-CG2 4.19Å; L543-L547 HydrophobicContact CD1-CD1 4.09Å; L543-L547 HydrophobicContact CD1-CD2 3.97Å; L543-L547 HydrophobicContact CD1-CG 4.05Å; L543-L558 HydrophobicContact CD2-CD2 4.08Å; L543-L559 HydrophobicContact CD1-CD2 4.19Å; L543-I562 HydrophobicContact CD1-CD1 3.89Å; L543-I562 HydrophobicContact CD2-CD1 4.05Å; L543-I562 HydrophobicContact CG-CD1 4.22Å; L543-L572 HydrophobicContact CD1-CD1 3.87Å; L543-L572 HydrophobicContact CG-CD1 4.12Å; L543-L573 PolarHBondContact N-O 3.36Å; L543-L574 HydrophobicContact CB-CD1 3.95Å; L543-L574 CarbonylContact O-C 3.58Å; L543-L574 WeakPolarHBondContact O-CA 3.43Å; L543-S575 PolarHBondContact O-N 2.84Å
544V98.1Very high95.5Very high13 Ų1343.6 Ų43.68%0.07921%0.213CC..EExtended strand (participates in β ladder)trans-111.5118.3174.6-173.50000109.4F486 I542 I546 S575 L628F486-V544 HydrophobicContact CD1-CG1 4.4Å; F486-V544 HydrophobicContact CD1-CG2 4.12Å; F486-V544 HydrophobicContact CD2-CB 4.3Å; F486-V544 HydrophobicContact CD2-CG1 4.03Å; F486-V544 HydrophobicContact CD2-CG2 4.37Å; F486-V544 HydrophobicContact CE1-CG1 3.94Å; F486-V544 HydrophobicContact CE1-CG2 4.38Å; F486-V544 HydrophobicContact CE2-CB 4.31Å; F486-V544 HydrophobicContact CE2-CG1 3.56Å; F486-V544 HydrophobicContact CG-CG1 4.45Å; F486-V544 HydrophobicContact CG-CG2 4.12Å; F486-V544 HydrophobicContact CZ-CG1 3.53Å; I542-V544 HydrophobicContact CG2-CG2 3.7Å; V544-I546 VanDerWaalsContact C-N 3.29Å; V544-I546 WeakPolarHBondContact O-CG1 3.39Å; V544-I546 PolarHBondContact O-N 3.21Å; V544-S575 WeakPolarHBondContact CA-O 3.41Å; V544-L628 HydrophobicContact CG1-CD1 3.71Å
545R95.8Very high95.6Very high38 Ų3837.1 Ų37.114%0.14318%0.183CC..SBendtrans56.941.4175.9-71.1-15872.4-146.5-18.5113.5H548 S575 E576 L628R545-H548 VanDerWaalsContact CA-CE1 3.44Å; R545-H548 WeakPolarHBondContact CA-CE1 3.29Å; R545-H548 PolarHBondContact NH2-NE2 3.29Å; R545-H548 PolarHBondContact O-CE1 3.26Å; R545-S575 PolarHBondContact N-O 2.8Å; R545-E576 WeakPolarHBondContact CA-OE2 3.3Å; R545-L628 HydrophobicContact CG-CD1 3.97Å; R545-L628 HydrophobicContact CG-CD2 3.72Å
546I95.7Very high95.6Very high21 Ų2140.5 Ų40.511%0.10820%0.198CC..  trans-112.9-51.1-179.5-61.5-60000111.6V479 F530 L543 V544 H548 D549 L550 L558 E576V479-I546 VanDerWaalsContact O-CG1 3.32Å; V479-I546 WeakPolarHBondContact O-CG1 3.47Å; F530-I546 HydrophobicContact CZ-CG2 4.44Å; L543-I546 HydrophobicContact CD2-CB 4.23Å; L543-I546 HydrophobicContact CD2-CG1 4.36Å; L543-I546 HydrophobicContact CD2-CG2 4.19Å; V544-I546 VanDerWaalsContact C-N 3.29Å; V544-I546 WeakPolarHBondContact O-CG1 3.39Å; V544-I546 PolarHBondContact O-N 3.21Å; I546-H548 VanDerWaalsContact C-N 3.26Å; I546-H548 PolarHBondContact O-N 3.34Å; I546-D549 PolarHBondContact O-N 3.5Å; I546-L550 HydrophobicContact CG2-CD1 4.16Å; I546-L558 HydrophobicContact CG2-CD2 3.84Å; I546-E576 PolarHBondContact N-OE1 3.04Å
547L95.4Very high95.7Very high0 Ų043 Ų430%021%0.21CC..THydrogen-bonded Turntrans-70.4-25.4-168.6-64.1-169.9000112.5L543 D549 L550 L555 L558 L559 L574 E576 R602 Y607L543-L547 HydrophobicContact CD1-CD1 4.09Å; L543-L547 HydrophobicContact CD1-CD2 3.97Å; L543-L547 HydrophobicContact CD1-CG 4.05Å; L547-D549 VanDerWaalsContact C-N 3.3Å; L547-D549 PolarHBondContact O-N 3.35Å; L547-L550 HydrophobicContact CD2-CD1 4.39Å; L547-L555 HydrophobicContact CB-CD1 4.04Å; L547-L555 HydrophobicContact CD2-CD1 4.3Å; L547-L555 HydrophobicContact CD2-CG 4.21Å; L547-L558 HydrophobicContact CD2-CD2 4.12Å; L547-L559 HydrophobicContact CD1-CD2 4.22Å; L547-L559 HydrophobicContact CD2-CD2 4.33Å; L547-L574 HydrophobicContact CD1-CD1 3.67Å; L547-L574 HydrophobicContact CD1-CD2 4.29Å; L547-L574 HydrophobicContact CG-CD1 4.04Å; L547-E576 PolarHBondContact N-OE1 2.88Å; L547-R602 PolarHBondContact O-NH1 3.35Å; L547-Y607 HydrophobicContact CB-CE1 3.99Å; L547-Y607 HydrophobicContact CD1-CD1 4.29Å; L547-Y607 HydrophobicContact CD1-CE1 4.09Å
548H93.5Very high95.8Very high1 Ų134.6 Ų34.61%0.00517%0.174CC..THydrogen-bonded Turntrans-67.3-30.2176.571.8-83.3000112.3R545 I546 E576 M596 G599 K600R545-H548 VanDerWaalsContact CA-CE1 3.44Å; R545-H548 WeakPolarHBondContact CA-CE1 3.29Å; R545-H548 PolarHBondContact NH2-NE2 3.29Å; R545-H548 PolarHBondContact O-CE1 3.26Å; I546-H548 VanDerWaalsContact C-N 3.26Å; I546-H548 PolarHBondContact O-N 3.34Å; H548-E576 IonicContact CE1-OE2 3.5Å; H548-E576 IonicContact CG-OE2 2.87Å; H548-E576 PolarHBondContact N-OE1 2.85Å; H548-E576 IonicContact ND1-OE1 2.64Å; H548-E576 PolarHBondContact ND1-OE1 2.78Å; H548-E576 IonicContact ND1-OE2 4Å; H548-E576 PolarHBondContact ND1-OE2 3.19Å; H548-M596 HydrophobicContact CB-CE 3.95Å; H548-M596 WeakPolarHBondContact O-CE 3.19Å; H548-G599 CarbonylContact O-C 3.6Å; H548-G599 VanDerWaalsContact O-C 3.23Å; H548-G599 WeakPolarHBondContact O-CA 3.38Å; H548-K600 PolarHBondContact O-N 2.99Å
549D89.3Confident95.8Very high77 Ų7734.2 Ų34.241%0.41217%0.17SC..THydrogen-bonded Turntrans-86.7-13.4-176.2-79.3-25.3000113.9I546 L547I546-D549 PolarHBondContact O-N 3.5Å; L547-D549 VanDerWaalsContact C-N 3.3Å; L547-D549 PolarHBondContact O-N 3.35Å
550L91.8Very high95.8Very high19 Ų1938.3 Ų38.310%0.09918%0.181CC..SBendtrans-86.7141-177.4-62-179.6000112.5I546 L547 K554 L555 L558 G599I546-L550 HydrophobicContact CG2-CD1 4.16Å; L547-L550 HydrophobicContact CD2-CD1 4.39Å; L550-K554 HydrophobicContact CB-CB 4.26Å; L550-K554 HydrophobicContact CD2-CB 4.22Å; L550-L555 HydrophobicContact CB-CB 4.02Å; L550-L555 HydrophobicContact CD1-CB 4.5Å; L550-L558 HydrophobicContact CD1-CB 4.38Å; L550-L558 HydrophobicContact CD1-CD2 3.75Å; L550-G599 VanDerWaalsContact O-CA 3.31Å; L550-G599 WeakPolarHBondContact O-CA 3.47Å
551S91.4Very high95.8Very high22 Ų2241.8 Ų41.815%0.15419%0.194CC..  trans-59.3154.4162.370.30000110.6E553 K554 L555 E598S551-E553 PolarHBondContact O-N 3.08Å; S551-K554 PolarHBondContact O-N 3.4Å; S551-K554 VanDerWaalsContact O-N 3.15Å; S551-K554 WeakPolarHBondContact OG-CG 3.4Å; S551-K554 PolarHBondContact OG-N 3.39Å; S551-L555 VanDerWaalsContact O-CB 3.23Å; S551-L555 WeakPolarHBondContact O-CB 3.34Å; S551-L555 PolarHBondContact O-N 2.95Å; S551-E598 WeakPolarHBondContact CA-O 3.49Å
552D91.4Very high95.7Very high95 Ų9541.8 Ų41.851%0.50819%0.194SC..Hα-helixtrans-55.4-39.1-179.8-76-18.3000111.8L555 H556 R602D552-L555 PolarHBondContact O-N 2.85Å; D552-H556 PolarHBondContact O-CD2 3.41Å; D552-H556 PolarHBondContact O-N 3.18Å; D552-R602 IonicContact OD1-CZ 3.36Å; D552-R602 IonicContact OD1-NH2 2.86Å; D552-R602 PolarHBondContact OD1-NH2 2.92Å
553E94.6Very high95.7Very high144 Ų14442.5 Ų42.567%0.67320%0.199SC*.Hα-helixtrans-59.3-55.1175.1-176.1-175.9-177.100112.4S551 L555 H556 I557S551-E553 PolarHBondContact O-N 3.08Å; E553-L555 VanDerWaalsContact C-N 3.27Å; E553-L555 PolarHBondContact O-N 3.39Å; E553-H556 PolarHBondContact O-N 3.01Å; E553-I557 HydrophobicContact CG-CD1 4.23Å; E553-I557 WeakPolarHBondContact O-CG1 3.38Å; E553-I557 PolarHBondContact O-N 3.34Å
554K95.7Very high95.5Very high73 Ų7348.3 Ų48.332%0.31723%0.23SC..Hα-helixtrans-63.1-37.2-179.5-69.6172.1-174.8161.90111.4L531 L550 S551 I557 L558 E598L531-K554 HydrophobicContact CD1-CB 4.35Å; L531-K554 HydrophobicContact CD1-CD 4.33Å; L531-K554 HydrophobicContact CD1-CG 4.21Å; L531-K554 HydrophobicContact CD2-CB 4.4Å; L550-K554 HydrophobicContact CB-CB 4.26Å; L550-K554 HydrophobicContact CD2-CB 4.22Å; S551-K554 PolarHBondContact O-N 3.4Å; S551-K554 VanDerWaalsContact O-N 3.15Å; S551-K554 WeakPolarHBondContact OG-CG 3.4Å; S551-K554 PolarHBondContact OG-N 3.39Å; K554-I557 PolarHBondContact O-N 2.97Å; K554-L558 PolarHBondContact O-N 3.36Å; K554-E598 IonicContact NZ-OE1 2.68Å; K554-E598 IonicContact NZ-OE2 3.83Å; K554-E598 PolarHBondContact NZ-OE2 3.28Å
555L96.4Very high95.4Very high0 Ų049.6 Ų49.60%024%0.242CC..Hα-helixtrans-60.9-47.7175.2178.3151.7000111L547 L550 S551 D552 E553 I557 L558 L559 L610L547-L555 HydrophobicContact CB-CD1 4.04Å; L547-L555 HydrophobicContact CD2-CD1 4.3Å; L547-L555 HydrophobicContact CD2-CG 4.21Å; L550-L555 HydrophobicContact CB-CB 4.02Å; L550-L555 HydrophobicContact CD1-CB 4.5Å; S551-L555 VanDerWaalsContact O-CB 3.23Å; S551-L555 WeakPolarHBondContact O-CB 3.34Å; S551-L555 PolarHBondContact O-N 2.95Å; D552-L555 PolarHBondContact O-N 2.85Å; E553-L555 VanDerWaalsContact C-N 3.27Å; E553-L555 PolarHBondContact O-N 3.39Å; L555-I557 VanDerWaalsContact C-N 3.31Å; L555-I557 PolarHBondContact O-N 3.28Å; L555-L558 PolarHBondContact O-N 2.8Å; L555-L559 HydrophobicContact CD2-CD1 3.6Å; L555-L559 HydrophobicContact CD2-CG 4.33Å; L555-L559 HydrophobicContact CG-CD1 4.29Å; L555-L559 WeakPolarHBondContact O-CG 3.2Å; L555-L559 PolarHBondContact O-N 3.39Å; L555-L610 HydrophobicContact CD1-CD2 3.85Å; L555-L610 HydrophobicContact CD2-CD1 3.55Å; L555-L610 HydrophobicContact CD2-CD2 3.44Å; L555-L610 VanDerWaalsContact CD2-CD2 3.44Å; L555-L610 HydrophobicContact CD2-CG 3.91Å; L555-L610 HydrophobicContact CG-CD2 4.23Å
556H97.3Very high95.5Very high82 Ų8248.5 Ų48.538%0.3824%0.24SC..Hα-helixtrans-65.7-35.4178.9-81.4-72.2000111.9D552 E553 R560 H614D552-H556 PolarHBondContact O-CD2 3.41Å; D552-H556 PolarHBondContact O-N 3.18Å; E553-H556 PolarHBondContact O-N 3.01Å; H556-R560 WeakPolarHBondContact O-CB 3.41Å; H556-R560 PolarHBondContact O-N 3.44Å; H556-H614 AromaticContact CE1-NE2 3.85Å; H556-H614 AromaticContact CG-NE2 3.93Å; H556-H614 AromaticContact ND1-CE1 3.56Å; H556-H614 AromaticContact ND1-NE2 3Å; H556-H614 PolarHBondContact ND1-NE2 3Å; H556-H614 PolarHBondContact O-CE1 3.28Å; H556-H614 VanDerWaalsContact O-CE1 3.28Å
557I97.9Very high95.3Very high69 Ų6951.8 Ų51.835%0.35426%0.261SS..Hα-helixtrans-60.5-52.2172.9-68.9166.8000110.2L531 E553 K554 L555 L559 R560 R561L531-I557 HydrophobicContact CD2-CG2 4.28Å; E553-I557 HydrophobicContact CG-CD1 4.23Å; E553-I557 WeakPolarHBondContact O-CG1 3.38Å; E553-I557 PolarHBondContact O-N 3.34Å; K554-I557 PolarHBondContact O-N 2.97Å; L555-I557 VanDerWaalsContact C-N 3.31Å; L555-I557 PolarHBondContact O-N 3.28Å; I557-L559 PolarHBondContact O-N 2.86Å; I557-R560 PolarHBondContact O-N 3.02Å; I557-R561 VanDerWaalsContact O-CG 3.3Å; I557-R561 WeakPolarHBondContact O-CG 3.36Å; I557-R561 PolarHBondContact O-N 3.18Å
558L98Very high95.3Very high0 Ų056.6 Ų56.60%029%0.293CS..Hα-helixtrans-59.6-49.3-179.117656.3000111.8V479 F530 L531 L543 I546 L547 L550 K554 L555 R560 R561 I562V479-L558 HydrophobicContact CG1-CD1 4.17Å; F530-L558 HydrophobicContact CB-CD1 4.26Å; F530-L558 HydrophobicContact CD2-CD1 3.83Å; F530-L558 HydrophobicContact CD2-CD2 4.13Å; F530-L558 HydrophobicContact CD2-CG 4.47Å; F530-L558 HydrophobicContact CE2-CD2 4.12Å; F530-L558 HydrophobicContact CG-CD1 4.31Å; L531-L558 HydrophobicContact CD2-CB 4.05Å; L543-L558 HydrophobicContact CD2-CD2 4.08Å; I546-L558 HydrophobicContact CG2-CD2 3.84Å; L547-L558 HydrophobicContact CD2-CD2 4.12Å; L550-L558 HydrophobicContact CD1-CB 4.38Å; L550-L558 HydrophobicContact CD1-CD2 3.75Å; K554-L558 PolarHBondContact O-N 3.36Å; L555-L558 PolarHBondContact O-N 2.8Å; L558-R560 VanDerWaalsContact C-N 3.31Å; L558-R560 PolarHBondContact O-N 3Å; L558-R561 PolarHBondContact O-N 3.48Å; L558-I562 HydrophobicContact CD1-CD1 3.81Å; L558-I562 HydrophobicContact CD1-CG1 4.09Å; L558-I562 HydrophobicContact CG-CD1 3.94Å; L558-I562 WeakPolarHBondContact O-CG1 3.27Å; L558-I562 PolarHBondContact O-N 2.82Å
559L98Very high95.3Very high0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-63.4-36.6-179-69.5-178.8000112.6L543 L547 L555 I557 S563 L610 L611 H614L543-L559 HydrophobicContact CD1-CD2 4.19Å; L547-L559 HydrophobicContact CD1-CD2 4.22Å; L547-L559 HydrophobicContact CD2-CD2 4.33Å; L555-L559 HydrophobicContact CD2-CD1 3.6Å; L555-L559 HydrophobicContact CD2-CG 4.33Å; L555-L559 HydrophobicContact CG-CD1 4.29Å; L555-L559 WeakPolarHBondContact O-CG 3.2Å; L555-L559 PolarHBondContact O-N 3.39Å; I557-L559 PolarHBondContact O-N 2.86Å; L559-S563 VanDerWaalsContact O-CB 3.25Å; L559-S563 WeakPolarHBondContact O-CB 3.43Å; L559-S563 PolarHBondContact O-N 3Å; L559-L610 HydrophobicContact CD1-CD1 4.08Å; L559-L610 HydrophobicContact CD1-CD2 4.03Å; L559-L610 HydrophobicContact CD1-CG 3.72Å; L559-L611 HydrophobicContact CD1-CD2 4.04Å; L559-L611 HydrophobicContact CD2-CD2 3.61Å; L559-L611 HydrophobicContact CG-CD2 4.47Å; L559-H614 HydrophobicContact CB-CB 4.34Å; L559-H614 VanDerWaalsContact CB-CD2 3.48Å; L559-H614 WeakPolarHBondContact CB-CD2 3.45Å
560R97.8Very high95.7Very high151 Ų15155.6 Ų55.657%0.5730%0.299SS*.Hα-helixtrans-63-47.6173.4-176.1179.8-62167.12.2111H556 I557 L558 I562 S563 D564H556-R560 WeakPolarHBondContact O-CB 3.41Å; H556-R560 PolarHBondContact O-N 3.44Å; I557-R560 PolarHBondContact O-N 3.02Å; L558-R560 VanDerWaalsContact C-N 3.31Å; L558-R560 PolarHBondContact O-N 3Å; R560-I562 VanDerWaalsContact C-N 3.33Å; R560-I562 PolarHBondContact O-N 3.28Å; R560-S563 CarbonylContact O-C 3.59Å; R560-S563 WeakPolarHBondContact O-CA 3.4Å; R560-S563 VanDerWaalsContact O-CB 3.31Å; R560-S563 WeakPolarHBondContact O-CB 3.23Å; R560-S563 PolarHBondContact O-N 3.23Å; R560-S563 VanDerWaalsContact O-N 3.13Å; R560-D564 WeakPolarHBondContact O-CB 3.33Å; R560-D564 PolarHBondContact O-N 2.97Å
561R97.6Very high96Very high73 Ų7354.7 Ų54.728%0.27529%0.294SS..Hα-helixtrans-60-42.2178.8-68.3175.871.378.15.4112.3F530 K532 D533 L535 I557 L558 D564 A565F530-R561 WeakPolarHBondContact O-CD 3.43Å; F530-R561 PolarHBondContact O-NE 2.76Å; F530-R561 VanDerWaalsContact O-NE 3.14Å; K532-R561 VanDerWaalsContact C-NH2 3.28Å; K532-R561 PolarHBondContact O-NH1 2.88Å; K532-R561 PolarHBondContact O-NH2 2.77Å; D533-R561 PolarHBondContact O-NH2 2.79Å; L535-R561 HydrophobicContact CD1-CB 4.08Å; I557-R561 VanDerWaalsContact O-CG 3.3Å; I557-R561 WeakPolarHBondContact O-CG 3.36Å; I557-R561 PolarHBondContact O-N 3.18Å; L558-R561 PolarHBondContact O-N 3.48Å; R561-D564 PolarHBondContact O-N 2.77Å; R561-A565 WeakPolarHBondContact O-CB 3.31Å; R561-A565 PolarHBondContact O-N 3.07Å; R561-A565 VanDerWaalsContact O-N 3.1Å
562I97.9Very high96.3Very high0 Ų053.6 Ų53.60%029%0.287CS..Hα-helixtrans-64.3-46.3174.8-65.9169.9000110L535 Y541 L543 L558 R560 D564 A565 C566 L572 F616L535-I562 HydrophobicContact CD1-CB 4.41Å; L535-I562 HydrophobicContact CD1-CG1 3.69Å; Y541-I562 HydrophobicContact CD1-CG1 4.43Å; Y541-I562 HydrophobicContact CD1-CG2 4.15Å; Y541-I562 HydrophobicContact CD2-CG2 3.87Å; Y541-I562 HydrophobicContact CG-CG2 3.65Å; L543-I562 HydrophobicContact CD1-CD1 3.89Å; L543-I562 HydrophobicContact CD2-CD1 4.05Å; L543-I562 HydrophobicContact CG-CD1 4.22Å; L558-I562 HydrophobicContact CD1-CD1 3.81Å; L558-I562 HydrophobicContact CD1-CG1 4.09Å; L558-I562 HydrophobicContact CG-CD1 3.94Å; L558-I562 WeakPolarHBondContact O-CG1 3.27Å; L558-I562 PolarHBondContact O-N 2.82Å; R560-I562 VanDerWaalsContact C-N 3.33Å; R560-I562 PolarHBondContact O-N 3.28Å; I562-D564 VanDerWaalsContact C-N 3.31Å; I562-D564 PolarHBondContact O-N 2.74Å; I562-A565 PolarHBondContact O-N 2.9Å; I562-C566 PolarHBondContact O-N 3.02Å; I562-C566 VanDerWaalsContact O-N 3.1Å; I562-C566 PolarHBondContact O-SG 3.19Å; I562-L572 HydrophobicContact CG2-CD1 4.26Å; I562-F616 HydrophobicContact CG2-CZ 3.97Å
563S97.2Very high96.7Very high15 Ų1549.1 Ų49.111%0.10526%0.263CS..Hα-helixtrans-55.3-44.6175.7156.60000112.5L559 R560 A565 C566 H614 K635L559-S563 VanDerWaalsContact O-CB 3.25Å; L559-S563 WeakPolarHBondContact O-CB 3.43Å; L559-S563 PolarHBondContact O-N 3Å; R560-S563 CarbonylContact O-C 3.59Å; R560-S563 WeakPolarHBondContact O-CA 3.4Å; R560-S563 VanDerWaalsContact O-CB 3.31Å; R560-S563 WeakPolarHBondContact O-CB 3.23Å; R560-S563 PolarHBondContact O-N 3.23Å; R560-S563 VanDerWaalsContact O-N 3.13Å; S563-A565 VanDerWaalsContact C-N 3.31Å; S563-C566 PolarHBondContact O-N 3Å; S563-H614 WeakPolarHBondContact CB-O 3.22Å; S563-H614 PolarHBondContact OG-O 2.89Å; S563-K635 PolarHBondContact OG-NZ 2.86Å
564D95.8Very high96.8Very high121 Ų12142.2 Ų42.265%0.64723%0.231SC*.Hα-helixtrans-71.3-27.7-177.9-63.9-14000112R560 R561 I562R560-D564 WeakPolarHBondContact O-CB 3.33Å; R560-D564 PolarHBondContact O-N 2.97Å; R561-D564 PolarHBondContact O-N 2.77Å; I562-D564 VanDerWaalsContact C-N 3.31Å; I562-D564 PolarHBondContact O-N 2.74Å
565A95.8Very high97Very high40 Ų4038.8 Ų38.833%0.33122%0.216SC..Hα-helixtrans-79.6-18.217400000113.2Y541 R561 I562 S563Y541-A565 HydrophobicContact CE2-CB 4.44Å; Y541-A565 WeakPolarHBondContact OH-CB 3.4Å; R561-A565 WeakPolarHBondContact O-CB 3.31Å; R561-A565 PolarHBondContact O-N 3.07Å; R561-A565 VanDerWaalsContact O-N 3.1Å; I562-A565 PolarHBondContact O-N 2.9Å; S563-A565 VanDerWaalsContact C-N 3.31Å
566C96.2Very high97Very high15 Ų1538.8 Ų38.810%0.10122%0.216CC..PPolyproline II helixtrans-84.7141.4-177.7-73.90000112.7Y541 I562 S563 C570 K635Y541-C566 VanDerWaalsContact CD2-SG 3.55Å; I562-C566 PolarHBondContact O-N 3.02Å; I562-C566 VanDerWaalsContact O-N 3.1Å; I562-C566 PolarHBondContact O-SG 3.19Å; S563-C566 PolarHBondContact O-N 3Å; C566-C570 HydrophobicContact CB-CB 3.68Å; C566-K635 HydrophobicContact CB-CB 4.08Å; C566-K635 HydrophobicContact CB-CD 4.04Å; C566-K635 HydrophobicContact CB-CG 3.89Å
567T93.1Very high97Very high91 Ų9135.2 Ų35.256%0.55820%0.199SC*.PPolyproline II helixtrans-96.6162.4162.561.80000110.5G569 C570 K635T567-G569 PolarHBondContact O-N 2.79Å; T567-C570 PolarHBondContact N-SG 2.93Å; T567-C570 VanDerWaalsContact O-CB 3.22Å; T567-C570 WeakPolarHBondContact O-CB 3.5Å; T567-C570 PolarHBondContact O-N 2.85Å; T567-C570 PolarHBondContact O-SG 2.88Å; T567-C570 VanDerWaalsContact O-SG 3.32Å; T567-C570 PolarHBondContact OG1-SG 2.92Å; T567-C570 VanDerWaalsContact OG1-SG 3.42Å; T567-K635 WeakPolarHBondContact O-CB 3.43Å
568P94.9Very high96.9Very high101 Ų10132 Ų3266%0.65618%0.183SC*.THydrogen-bonded Turntrans-53.6131175.1-27.136000111.6
569G93.4Very high96.8Very high49 Ų4932.2 Ų32.251%0.50518%0.184SC..THydrogen-bonded Turntrans91.4-11.5-17400000115.5T567 G571 K635T567-G569 PolarHBondContact O-N 2.79Å; G569-G571 PolarHBondContact O-N 2.86Å; G569-K635 PolarHBondContact N-O 2.86Å
570C97.3Very high96.6Very high7 Ų735.6 Ų35.65%0.04720%0.202CC..  trans-58137169.9-76.20000110.8D539 C566 T567 T634 K635D539-C570 CarbonylContact O-C 3.38Å; D539-C570 VanDerWaalsContact O-CA 3.3Å; D539-C570 WeakPolarHBondContact O-CA 3.49Å; C566-C570 HydrophobicContact CB-CB 3.68Å; T567-C570 PolarHBondContact N-SG 2.93Å; T567-C570 VanDerWaalsContact O-CB 3.22Å; T567-C570 WeakPolarHBondContact O-CB 3.5Å; T567-C570 PolarHBondContact O-N 2.85Å; T567-C570 PolarHBondContact O-SG 2.88Å; T567-C570 VanDerWaalsContact O-SG 3.32Å; T567-C570 PolarHBondContact OG1-SG 2.92Å; T567-C570 VanDerWaalsContact OG1-SG 3.42Å; C570-T634 CarbonylContact O-C 3.14Å; C570-T634 WeakPolarHBondContact O-CA 3.49Å; C570-K635 HydrophobicContact CB-CB 4.26Å; C570-K635 PolarHBondContact O-N 3.04Å
571G97.9Very high96.3Very high0 Ų033.9 Ų33.90%020%0.201CC..EExtended strand (participates in β ladder)trans-88.7153.5178.500000113D539 L540 Y541 G569 C633D539-G571 PolarHBondContact O-N 3.08Å; L540-G571 CarbonylContact C-O 3.59Å; L540-G571 WeakPolarHBondContact CA-O 3.49Å; Y541-G571 PolarHBondContact N-O 2.64Å; G569-G571 PolarHBondContact O-N 2.86Å; G571-C633 CarbonylContact C-O 3.56Å; G571-C633 WeakPolarHBondContact CA-O 3.43Å
572L98.4Very high96.1Very high0 Ų036.2 Ų36.20%022%0.218CC..EExtended strand (participates in β ladder)trans-130.9111.7165.6179.566.6000108.8Y541 L543 I562 L611 F616 C633Y541-L572 CarbonylContact O-C 3.59Å; Y541-L572 VanDerWaalsContact O-CA 3.32Å; Y541-L572 WeakPolarHBondContact O-CA 3.34Å; L543-L572 HydrophobicContact CD1-CD1 3.87Å; L543-L572 HydrophobicContact CG-CD1 4.12Å; I562-L572 HydrophobicContact CG2-CD1 4.26Å; L572-L611 HydrophobicContact CD2-CD1 4.18Å; L572-L611 HydrophobicContact CD2-CD2 3.48Å; L572-L611 VanDerWaalsContact CD2-CD2 3.48Å; L572-L611 HydrophobicContact CD2-CG 4.44Å; L572-F616 HydrophobicContact CB-CD1 4.05Å; L572-F616 HydrophobicContact CB-CE1 3.99Å; L572-F616 HydrophobicContact CD2-CD1 4.35Å; L572-F616 HydrophobicContact CD2-CD2 4.27Å; L572-F616 HydrophobicContact CD2-CE1 4.4Å; L572-F616 HydrophobicContact CD2-CE2 4.31Å; L572-F616 HydrophobicContact CD2-CG 4.29Å; L572-F616 HydrophobicContact CD2-CZ 4.39Å; L572-C633 HydrophobicContact CB-CB 4.3Å; L572-C633 PolarHBondContact N-O 3.29Å; L572-C633 PolarHBondContact O-N 2.87Å
573L98.6Very high95.7Very high0 Ų040.9 Ų40.90%024%0.236CC..EExtended strand (participates in β ladder)trans-92.8109.3172.6177.663000109.1V464 F468 L470 L490 L540 Y541 I542 L543 A630 L632V464-L573 HydrophobicContact CG1-CD2 4.3Å; F468-L573 HydrophobicContact CD2-CD1 3.81Å; F468-L573 HydrophobicContact CE2-CD1 3.83Å; L470-L573 HydrophobicContact CD1-CD2 4.2Å; L490-L573 HydrophobicContact CD2-CD2 4.49Å; L540-L573 HydrophobicContact CD1-CB 4.09Å; Y541-L573 PolarHBondContact O-N 2.99Å; I542-L573 WeakPolarHBondContact CA-O 3.42Å; I542-L573 HydrophobicContact CG1-CB 4.29Å; I542-L573 HydrophobicContact CG1-CD2 4.4Å; I542-L573 HydrophobicContact CG2-CD2 4.34Å; L543-L573 PolarHBondContact N-O 3.36Å; L573-A630 HydrophobicContact CD1-CB 4.44Å; L573-L632 HydrophobicContact CB-CD1 4.47Å
574L98.6Very high95.4Very high0 Ų043 Ų430%025%0.251CS..EExtended strand (participates in β ladder)trans-101.3128.3174.1176.865.2000109.7L543 L547 E576 F578 Y607 L611 A630 M631L543-L574 HydrophobicContact CB-CD1 3.95Å; L543-L574 CarbonylContact O-C 3.58Å; L543-L574 WeakPolarHBondContact O-CA 3.43Å; L547-L574 HydrophobicContact CD1-CD1 3.67Å; L547-L574 HydrophobicContact CD1-CD2 4.29Å; L547-L574 HydrophobicContact CG-CD1 4.04Å; L574-E576 HydrophobicContact CD1-CG 3.76Å; L574-E576 HydrophobicContact CG-CG 4.23Å; L574-F578 HydrophobicContact CD2-CE1 4.45Å; L574-Y607 HydrophobicContact CD2-CD1 3.57Å; L574-Y607 HydrophobicContact CD2-CD2 4.12Å; L574-Y607 HydrophobicContact CD2-CE1 4.08Å; L574-Y607 HydrophobicContact CD2-CG 3.59Å; L574-L611 HydrophobicContact CD2-CD1 4.17Å; L574-A630 CarbonylContact O-C 3.6Å; L574-A630 WeakPolarHBondContact O-CA 3.34Å; L574-M631 HydrophobicContact CB-CB 4.42Å; L574-M631 PolarHBondContact N-O 3.03Å; L574-M631 PolarHBondContact O-N 3.17Å
575S98.3Very high95.2Very high0 Ų037.6 Ų37.60%022%0.223CC..EExtended strand (participates in β ladder)trans-131.3117.1172.7-173.60000111.8V464 L543 V544 R545 L628 D629V464-S575 VanDerWaalsContact CG2-OG 3.3Å; V464-S575 WeakPolarHBondContact CG2-OG 3.47Å; L543-S575 PolarHBondContact O-N 2.84Å; V544-S575 WeakPolarHBondContact CA-O 3.41Å; R545-S575 PolarHBondContact N-O 2.8Å; S575-L628 WeakPolarHBondContact OG-CB 3.48Å; S575-D629 WeakPolarHBondContact CA-O 3.09Å; S575-D629 WeakPolarHBondContact CB-O 3.23Å; S575-D629 PolarHBondContact OG-O 2.8Å
576E97.2Very high95.1Very high1 Ų137.9 Ų37.91%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-146.1176.8-175.1-66.7-72.4-169.700109R545 I546 L547 H548 L574 F578 Y607 D629R545-E576 WeakPolarHBondContact CA-OE2 3.3Å; I546-E576 PolarHBondContact N-OE1 3.04Å; L547-E576 PolarHBondContact N-OE1 2.88Å; H548-E576 IonicContact CE1-OE2 3.5Å; H548-E576 IonicContact CG-OE2 2.87Å; H548-E576 PolarHBondContact N-OE1 2.85Å; H548-E576 IonicContact ND1-OE1 2.64Å; H548-E576 PolarHBondContact ND1-OE1 2.78Å; H548-E576 IonicContact ND1-OE2 4Å; H548-E576 PolarHBondContact ND1-OE2 3.19Å; L574-E576 HydrophobicContact CD1-CG 3.76Å; L574-E576 HydrophobicContact CG-CG 4.23Å; E576-F578 HydrophobicContact CB-CD1 4.14Å; E576-F578 HydrophobicContact CB-CE1 3.91Å; E576-F578 PolarHBondContact O-N 2.79Å; E576-Y607 HydrophobicContact CB-CE2 4.05Å; E576-Y607 HydrophobicContact CG-CE2 4.23Å; E576-D629 PolarHBondContact N-O 2.91Å; E576-D629 PolarHBondContact O-N 2.89Å
577I96.3Very high94.9Very high6 Ų640.3 Ų40.33%0.03124%0.239CC..  trans-83.3109.2165.7-57.5174.5000106.9P586 R588 Q601 L628I577-P586 HydrophobicContact CG2-CG 3.57Å; I577-R588 HydrophobicContact CD1-CG 4.22Å; I577-Q601 PolarHBondContact O-OE1 3.19Å; I577-L628 HydrophobicContact CG1-CD2 3.95Å
578F96.6Very high94.7Very high2 Ų239.9 Ų39.91%0.00923%0.227CC..PPolyproline II helixtrans-81.7127.7178.4-63.4-21.5000110.1L574 E576 P586 A604 Y607 V621 D629 M631L574-F578 HydrophobicContact CD2-CE1 4.45Å; E576-F578 HydrophobicContact CB-CD1 4.14Å; E576-F578 HydrophobicContact CB-CE1 3.91Å; E576-F578 PolarHBondContact O-N 2.79Å; F578-P586 WeakPolarHBondContact O-CD 3.32Å; F578-A604 HydrophobicContact CD2-CB 3.96Å; F578-A604 HydrophobicContact CE2-CB 4.44Å; F578-A604 HydrophobicContact CG-CB 4.26Å; F578-Y607 AromaticContact CD1-CD2 3.77Å; F578-Y607 HydrophobicContact CD1-CD2 3.77Å; F578-Y607 AromaticContact CD1-CE2 3.82Å; F578-Y607 HydrophobicContact CD1-CE2 3.82Å; F578-Y607 AromaticContact CE1-CD2 3.67Å; F578-Y607 HydrophobicContact CE1-CD2 3.67Å; F578-Y607 AromaticContact CE1-CE2 3.87Å; F578-Y607 HydrophobicContact CE1-CE2 3.87Å; F578-V621 HydrophobicContact CD2-CG1 4.04Å; F578-V621 HydrophobicContact CE2-CG1 3.86Å; F578-D629 HydrophobicContact CB-CB 4.16Å; F578-D629 WeakPolarHBondContact CB-OD2 3.45Å; F578-D629 HydrophobicContact CD1-CB 4.43Å; F578-D629 HydrophobicContact CD2-CB 3.31Å; F578-D629 HydrophobicContact CE2-CB 3.67Å; F578-D629 HydrophobicContact CG-CB 3.73Å; F578-D629 HydrophobicContact CZ-CB 4.38Å; F578-D629 PolarHBondContact N-OD2 3.13Å; F578-M631 HydrophobicContact CE2-CB 4.01Å; F578-M631 HydrophobicContact CE2-CE 4.47Å; F578-M631 HydrophobicContact CZ-CB 3.7Å; F578-M631 HydrophobicContact CZ-CE 4.34Å
579L96.1Very high94.6Very high5 Ų535.1 Ų35.13%0.02620%0.196CC..BIsolated β-bridgetrans-77.2151.3172.4-59.7-177.1000111.1G585 L590 Q601 R602 S603L579-G585 CarbonylContact C-O 3.53Å; L579-G585 VanDerWaalsContact CA-O 3.27Å; L579-G585 WeakPolarHBondContact CA-O 3.29Å; L579-L590 HydrophobicContact CD1-CD2 3.94Å; L579-L590 HydrophobicContact CD2-CD2 3.99Å; L579-L590 HydrophobicContact CD2-CG 4.12Å; L579-Q601 HydrophobicContact CD1-CB 3.76Å; L579-Q601 HydrophobicContact CD2-CB 4.36Å; L579-Q601 HydrophobicContact CG-CB 4.1Å; L579-R602 PolarHBondContact N-O 3.49Å; L579-R602 VanDerWaalsContact N-O 3.15Å; L579-S603 VanDerWaalsContact O-CA 3.3Å; L579-S603 WeakPolarHBondContact O-CA 3.44Å; L579-S603 WeakPolarHBondContact O-CB 3.39Å
580D93Very high94.6Very high71 Ų7135.3 Ų35.338%0.3819%0.185SC..PPolyproline II helixtrans-56.5149.5163.5-61.2-27.6000109.8N582 R583 S584 G585D580-N582 VanDerWaalsContact C-N 3.27Å; D580-N582 WeakPolarHBondContact CB-OD1 3.47Å; D580-N582 PolarHBondContact O-N 3Å; D580-R583 VanDerWaalsContact O-CA 3.31Å; D580-R583 WeakPolarHBondContact O-CA 3.27Å; D580-R583 PolarHBondContact O-N 2.69Å; D580-S584 PolarHBondContact OD2-OG 2.78Å; D580-G585 PolarHBondContact N-O 2.93Å; D580-G585 VanDerWaalsContact OD2-CA 3.3Å; D580-G585 WeakPolarHBondContact OD2-CA 3.33Å; D580-G585 PolarHBondContact OD2-N 2.76Å
581E92.3Very high94.4Very high115 Ų11539.8 Ų39.854%0.53721%0.208SC..THydrogen-bonded Turntrans-63.6-32.6-178.2-64.8-57.8154.400113.1R583 S603 A605E581-R583 PolarHBondContact O-N 2.83Å; E581-S603 VanDerWaalsContact CD-OG 3.26Å; E581-S603 WeakPolarHBondContact OE1-CB 3.35Å; E581-S603 PolarHBondContact OE1-OG 2.97Å; E581-S603 WeakPolarHBondContact OE2-CB 3.48Å; E581-S603 PolarHBondContact OE2-OG 3.17Å; E581-A605 WeakPolarHBondContact OE1-CB 3.36Å; E581-A605 PolarHBondContact OE1-N 3.13Å; E581-A605 VanDerWaalsContact OE1-N 3.1Å; E581-A605 WeakPolarHBondContact OE2-CB 3.5Å
582N92.3Very high94Very high121 Ų12141.4 Ų41.465%0.64722%0.216SC*.THydrogen-bonded Turntrans-81.2-0.4172.367.8-7.3000113D580 S584D580-N582 VanDerWaalsContact C-N 3.27Å; D580-N582 WeakPolarHBondContact CB-OD1 3.47Å; D580-N582 PolarHBondContact O-N 3Å; N582-S584 VanDerWaalsContact C-N 3.29Å; N582-S584 VanDerWaalsContact CG-OG 3.32Å; N582-S584 PolarHBondContact ND2-OG 3.11Å; N582-S584 PolarHBondContact O-N 2.64Å; N582-S584 WeakPolarHBondContact OD1-CB 3.36Å; N582-S584 PolarHBondContact OD1-N 2.63Å; N582-S584 PolarHBondContact OD1-OG 3.05Å
583R90.4Very high93.6Very high99 Ų9943.4 Ų43.437%0.37423%0.232SC..SBendtrans59.230.5-176.2-50.2179.567.683.85114.3D580 E581 L590 Q601 E606D580-R583 VanDerWaalsContact O-CA 3.31Å; D580-R583 WeakPolarHBondContact O-CA 3.27Å; D580-R583 PolarHBondContact O-N 2.69Å; E581-R583 PolarHBondContact O-N 2.83Å; R583-L590 WeakPolarHBondContact O-CD1 3.4Å; R583-Q601 PolarHBondContact NH2-O 3.39Å; R583-E606 IonicContact NH1-OE1 2.63Å; R583-E606 IonicContact NH1-OE2 2.99Å; R583-E606 PolarHBondContact NH1-OE2 3.08Å
584S90.9Very high93.1Very high60 Ų6046.9 Ų46.942%0.4225%0.251SS..  trans-78.1-22.9175.3540000114.3D580 N582D580-S584 PolarHBondContact OD2-OG 2.78Å; N582-S584 VanDerWaalsContact C-N 3.29Å; N582-S584 VanDerWaalsContact CG-OG 3.32Å; N582-S584 PolarHBondContact ND2-OG 3.11Å; N582-S584 PolarHBondContact O-N 2.64Å; N582-S584 WeakPolarHBondContact OD1-CB 3.36Å; N582-S584 PolarHBondContact OD1-N 2.63Å; N582-S584 PolarHBondContact OD1-OG 3.05Å
585G91.4Very high92.3Very high6 Ų647.2 Ų47.26%0.06225%0.253CS..  trans-166.1-177.4-175.200000112.7L579 D580L579-G585 CarbonylContact C-O 3.53Å; L579-G585 VanDerWaalsContact CA-O 3.27Å; L579-G585 WeakPolarHBondContact CA-O 3.29Å; D580-G585 PolarHBondContact N-O 2.93Å; D580-G585 VanDerWaalsContact OD2-CA 3.3Å; D580-G585 WeakPolarHBondContact OD2-CA 3.33Å; D580-G585 PolarHBondContact OD2-N 2.76Å
586P93Very high91.6Very high47 Ų4748.2 Ų48.231%0.30526%0.258SS..  cis-69.9146.6-10.129.6-34.4000111.3I577 F578 R588 G589 L590I577-P586 HydrophobicContact CG2-CG 3.57Å; F578-P586 WeakPolarHBondContact O-CD 3.32Å; P586-R588 PolarHBondContact O-N 2.65Å; P586-R588 VanDerWaalsContact O-N 3.08Å; P586-G589 PolarHBondContact O-N 3.27Å; P586-L590 PolarHBondContact O-N 3.35Å
587S92Very high90.3Very high66 Ų6651.7 Ų51.746%0.46228%0.282SS..Hα-helixtrans-55.3-33.2-176.4-52.40000112.8G589 L590 L591S587-G589 VanDerWaalsContact C-N 3.35Å; S587-G589 PolarHBondContact O-N 2.81Å; S587-L590 PolarHBondContact O-N 3.22Å; S587-L591 VanDerWaalsContact O-CB 3.31Å; S587-L591 WeakPolarHBondContact O-CB 3.47Å; S587-L591 VanDerWaalsContact O-CG 3.22Å; S587-L591 WeakPolarHBondContact O-CG 3.25Å; S587-L591 PolarHBondContact O-N 3.41Å
588R90.8Very high89.4Confident82 Ų8256.8 Ų56.831%0.30931%0.306SS..Hα-helixtrans-58.7-42.3177.2-179.9176.1167-136-5.4113.1I577 P586 Q592 L627I577-R588 HydrophobicContact CD1-CG 4.22Å; P586-R588 PolarHBondContact O-N 2.65Å; P586-R588 VanDerWaalsContact O-N 3.08Å; R588-Q592 WeakPolarHBondContact O-CB 3.48Å; R588-Q592 PolarHBondContact O-N 3.19Å; R588-L627 PolarHBondContact NH1-O 2.92Å
589G92.1Very high88.8Confident0 Ų057.6 Ų57.60%031%0.314CS..Hα-helixtrans-66.9-44.9177.600000111.3P586 S587 Q592 A593P586-G589 PolarHBondContact O-N 3.27Å; S587-G589 VanDerWaalsContact C-N 3.35Å; S587-G589 PolarHBondContact O-N 2.81Å; G589-Q592 WeakPolarHBondContact O-CB 3.49Å; G589-Q592 PolarHBondContact O-N 2.96Å; G589-A593 PolarHBondContact O-N 3.5Å
590L93.1Very high88.6Confident53 Ų5361.3 Ų61.328%0.27733%0.331SS..Hα-helixtrans-66.1-41.7179.1-63.4173.5000112.6L579 R583 P586 S587 Q592 A593L579-L590 HydrophobicContact CD1-CD2 3.94Å; L579-L590 HydrophobicContact CD2-CD2 3.99Å; L579-L590 HydrophobicContact CD2-CG 4.12Å; R583-L590 WeakPolarHBondContact O-CD1 3.4Å; P586-L590 PolarHBondContact O-N 3.35Å; S587-L590 PolarHBondContact O-N 3.22Å; L590-Q592 VanDerWaalsContact C-N 3.34Å; L590-A593 WeakPolarHBondContact O-CB 3.49Å; L590-A593 PolarHBondContact O-N 2.81Å
591L92.4Very high88.6Confident101 Ų10158 Ų5853%0.52931%0.313SS..Hα-helixtrans-65.4-38.3174.7-70.8173.1000111.2F418 S587 A593 L594F418-L591 WeakPolarHBondContact CZ-O 3.31Å; S587-L591 VanDerWaalsContact O-CB 3.31Å; S587-L591 WeakPolarHBondContact O-CB 3.47Å; S587-L591 VanDerWaalsContact O-CG 3.22Å; S587-L591 WeakPolarHBondContact O-CG 3.25Å; S587-L591 PolarHBondContact O-N 3.41Å; L591-A593 VanDerWaalsContact C-N 3.3Å; L591-A593 PolarHBondContact O-N 3.04Å; L591-L594 HydrophobicContact CD2-CD1 4.09Å; L591-L594 WeakPolarHBondContact O-CB 3.42Å; L591-L594 PolarHBondContact O-N 3.34Å
592Q89.9Confident88.7Confident35 Ų3553 Ų5316%0.16429%0.289CS..Hα-helixtrans-61.3-40.9174.2-178.1171.141.900111.7R588 G589 L590 L594 S595 M596R588-Q592 WeakPolarHBondContact O-CB 3.48Å; R588-Q592 PolarHBondContact O-N 3.19Å; G589-Q592 WeakPolarHBondContact O-CB 3.49Å; G589-Q592 PolarHBondContact O-N 2.96Å; L590-Q592 VanDerWaalsContact C-N 3.34Å; Q592-L594 PolarHBondContact O-N 2.89Å; Q592-L594 VanDerWaalsContact O-N 3.13Å; Q592-S595 PolarHBondContact O-N 3.19Å; Q592-S595 PolarHBondContact O-OG 3.37Å; Q592-M596 HydrophobicContact CG-CG 4.44Å; Q592-M596 HydrophobicContact CG-SD 4.26Å; Q592-M596 WeakPolarHBondContact O-CG 3.09Å
593A89.9Confident89Confident41 Ų4147.4 Ų47.434%0.33926%0.259SS..Hα-helixtrans-56.5-28.5179.900000113.5G589 L590 L591 S595 M596 Q601G589-A593 PolarHBondContact O-N 3.5Å; L590-A593 WeakPolarHBondContact O-CB 3.49Å; L590-A593 PolarHBondContact O-N 2.81Å; L591-A593 VanDerWaalsContact C-N 3.3Å; L591-A593 PolarHBondContact O-N 3.04Å; A593-S595 PolarHBondContact O-N 3.22Å; A593-S595 VanDerWaalsContact O-N 3.14Å; A593-M596 HydrophobicContact CB-SD 4.31Å; A593-M596 PolarHBondContact O-N 3.2Å; A593-Q601 HydrophobicContact CB-CG 4.14Å
594L88.4Confident89.3Confident74 Ų7443.3 Ų43.339%0.38725%0.247SC..THydrogen-bonded Turntrans-63-17.7176.1-63.8175.8000114.2F418 L421 L591 Q592F418-L594 HydrophobicContact CE1-CB 4.25Å; F418-L594 HydrophobicContact CE1-CD1 4.43Å; F418-L594 HydrophobicContact CZ-CB 4.39Å; L421-L594 HydrophobicContact CD1-CB 3.8Å; L421-L594 HydrophobicContact CD1-CD1 4.46Å; L421-L594 HydrophobicContact CD1-CD2 4.43Å; L421-L594 HydrophobicContact CD1-CG 4.46Å; L421-L594 HydrophobicContact CD2-CD1 4.23Å; L591-L594 HydrophobicContact CD2-CD1 4.09Å; L591-L594 WeakPolarHBondContact O-CB 3.42Å; L591-L594 PolarHBondContact O-N 3.34Å; Q592-L594 PolarHBondContact O-N 2.89Å; Q592-L594 VanDerWaalsContact O-N 3.13Å
595S82.9Confident89.5Confident7 Ų742.2 Ų42.25%0.04924%0.241CC..THydrogen-bonded Turntrans-112.4-3.7-177.270.70000114.5S430 R432 Q592 A593S430-S595 PolarHBondContact OG-O 3.41Å; S430-S595 VanDerWaalsContact OG-O 3.05Å; R432-S595 PolarHBondContact NE-O 3.26Å; Q592-S595 PolarHBondContact O-N 3.19Å; Q592-S595 PolarHBondContact O-OG 3.37Å; A593-S595 PolarHBondContact O-N 3.22Å; A593-S595 VanDerWaalsContact O-N 3.14Å
596M82.4Confident89.8Confident21 Ų2143.8 Ų43.810%0.10325%0.247CC..  trans-76.7143.9-176-68.8173.763.400111.3S430 H548 Q592 A593 Q601S430-M596 WeakPolarHBondContact CB-O 3.49Å; H548-M596 HydrophobicContact CB-CE 3.95Å; H548-M596 WeakPolarHBondContact O-CE 3.19Å; Q592-M596 HydrophobicContact CG-CG 4.44Å; Q592-M596 HydrophobicContact CG-SD 4.26Å; Q592-M596 WeakPolarHBondContact O-CG 3.09Å; A593-M596 HydrophobicContact CB-SD 4.31Å; A593-M596 PolarHBondContact O-N 3.2Å; M596-Q601 HydrophobicContact SD-CG 3.86Å
597S69.7Low90Very high73 Ų7341.6 Ų41.651%0.5123%0.232SC..SBendtrans-90.8-59.9-173.749.60000114.1
598E77.9Confident90.2Very high113 Ų11339.7 Ų39.753%0.52822%0.219SC..SBendtrans-120.2-14.1-173.3-63.6-175.2173.700113S551 K554S551-E598 WeakPolarHBondContact CA-O 3.49Å; K554-E598 IonicContact NZ-OE1 2.68Å; K554-E598 IonicContact NZ-OE2 3.83Å; K554-E598 PolarHBondContact NZ-OE2 3.28Å
599G84.8Confident90.5Very high19 Ų1943.9 Ų43.920%0.19624%0.235CC..  trans-105-178.5-170.800000114.6H548 L550H548-G599 CarbonylContact O-C 3.6Å; H548-G599 VanDerWaalsContact O-C 3.23Å; H548-G599 WeakPolarHBondContact O-CA 3.38Å; L550-G599 VanDerWaalsContact O-CA 3.31Å; L550-G599 WeakPolarHBondContact O-CA 3.47Å
600K90.6Very high90.8Very high84 Ų8445.1 Ų45.137%0.36524%0.241SC..  trans-144.8136.6-170-178.6-176.1172.1-161.90112.3H548 R602 E606H548-K600 PolarHBondContact O-N 2.99Å; K600-R602 HydrophobicContact CD-CG 4.41Å; K600-R602 HydrophobicContact CG-CG 4.29Å; K600-R602 PolarHBondContact O-NH1 2.95Å; K600-E606 IonicContact NZ-OE1 3.23Å; K600-E606 PolarHBondContact NZ-OE1 2.89Å
601Q92.8Very high91Very high1 Ų142.6 Ų42.61%0.00523%0.228CC..  trans-78136.1166.1-64.2-66.3-13.100111.1I577 L579 R583 A593 M596I577-Q601 PolarHBondContact O-OE1 3.19Å; L579-Q601 HydrophobicContact CD1-CB 3.76Å; L579-Q601 HydrophobicContact CD2-CB 4.36Å; L579-Q601 HydrophobicContact CG-CB 4.1Å; R583-Q601 PolarHBondContact NH2-O 3.39Å; A593-Q601 HydrophobicContact CB-CG 4.14Å; M596-Q601 HydrophobicContact SD-CG 3.86Å
602R95.9Very high91.2Very high11 Ų1145.3 Ų45.34%0.04224%0.236CC..  trans-131.9151.5-169.8-63.1178.5-175.987.6-5.8111.7L547 D552 L579 K600 E606 Y607L547-R602 PolarHBondContact O-NH1 3.35Å; D552-R602 IonicContact OD1-CZ 3.36Å; D552-R602 IonicContact OD1-NH2 2.86Å; D552-R602 PolarHBondContact OD1-NH2 2.92Å; L579-R602 PolarHBondContact N-O 3.49Å; L579-R602 VanDerWaalsContact N-O 3.15Å; K600-R602 HydrophobicContact CD-CG 4.41Å; K600-R602 HydrophobicContact CG-CG 4.29Å; K600-R602 PolarHBondContact O-NH1 2.95Å; R602-E606 WeakPolarHBondContact CA-OE2 3.24Å; R602-E606 HydrophobicContact CB-CB 3.85Å; R602-E606 HydrophobicContact CG-CB 4.38Å; R602-Y607 HydrophobicContact CB-CD1 4.4Å; R602-Y607 HydrophobicContact CB-CD2 3.89Å; R602-Y607 HydrophobicContact CB-CE1 4.16Å; R602-Y607 HydrophobicContact CB-CE2 3.6Å; R602-Y607 HydrophobicContact CB-CG 4.27Å; R602-Y607 HydrophobicContact CG-CE1 4.47Å
603S97Very high91.5Very high2 Ų246.9 Ų46.91%0.01426%0.261CS..BIsolated β-bridgetrans-73.6165.716975.20000111.7L579 E581 A605 E606 Y607L579-S603 VanDerWaalsContact O-CA 3.3Å; L579-S603 WeakPolarHBondContact O-CA 3.44Å; L579-S603 WeakPolarHBondContact O-CB 3.39Å; E581-S603 VanDerWaalsContact CD-OG 3.26Å; E581-S603 WeakPolarHBondContact OE1-CB 3.35Å; E581-S603 PolarHBondContact OE1-OG 2.97Å; E581-S603 WeakPolarHBondContact OE2-CB 3.48Å; E581-S603 PolarHBondContact OE2-OG 3.17Å; S603-A605 VanDerWaalsContact C-N 3.27Å; S603-A605 PolarHBondContact O-N 3.27Å; S603-A605 PolarHBondContact OG-N 2.83Å; S603-E606 PolarHBondContact N-OE2 3.22Å; S603-E606 PolarHBondContact O-N 3.01Å; S603-E606 PolarHBondContact OG-N 2.83Å; S603-E606 VanDerWaalsContact OG-N 3.12Å; S603-Y607 VanDerWaalsContact O-CD2 3.32Å; S603-Y607 WeakPolarHBondContact O-CD2 3.42Å; S603-Y607 PolarHBondContact O-N 3.47Å
604A96.5Very high91.9Very high14 Ų1445.9 Ų45.912%0.11625%0.25CC..Hα-helixtrans-60.2-36.6173.400000111.9F578 Y607 S608 V621 M631F578-A604 HydrophobicContact CD2-CB 3.96Å; F578-A604 HydrophobicContact CE2-CB 4.44Å; F578-A604 HydrophobicContact CG-CB 4.26Å; A604-Y607 PolarHBondContact O-N 3.43Å; A604-S608 WeakPolarHBondContact O-CB 3.28Å; A604-S608 PolarHBondContact O-N 3.24Å; A604-S608 PolarHBondContact O-OG 2.94Å; A604-V621 HydrophobicContact CB-CG1 3.89Å; A604-V621 HydrophobicContact CB-CG2 4.5Å; A604-M631 HydrophobicContact CB-CE 3.92Å; A604-M631 VanDerWaalsContact O-CE 3.25Å; A604-M631 WeakPolarHBondContact O-CE 3.42Å
605A96.4Very high92.3Very high36 Ų3643.6 Ų43.630%0.29824%0.244SC..Hα-helixtrans-71.3-34.6175.600000113E581 S603 S608 R609E581-A605 WeakPolarHBondContact OE1-CB 3.36Å; E581-A605 PolarHBondContact OE1-N 3.13Å; E581-A605 VanDerWaalsContact OE1-N 3.1Å; E581-A605 WeakPolarHBondContact OE2-CB 3.5Å; S603-A605 VanDerWaalsContact C-N 3.27Å; S603-A605 PolarHBondContact O-N 3.27Å; S603-A605 PolarHBondContact OG-N 2.83Å; A605-S608 PolarHBondContact O-N 2.69Å; A605-R609 WeakPolarHBondContact O-CG 3.44Å; A605-R609 PolarHBondContact O-N 2.83Å; A605-R609 PolarHBondContact O-NE 2.74Å
606E96.8Very high93Very high40 Ų4043.3 Ų43.319%0.18724%0.242CC..Hα-helixtrans-61.7-47.7171.5-77.1-178.1118.400111.1R583 K600 R602 S603 R609 L610R583-E606 IonicContact NH1-OE1 2.63Å; R583-E606 IonicContact NH1-OE2 2.99Å; R583-E606 PolarHBondContact NH1-OE2 3.08Å; K600-E606 IonicContact NZ-OE1 3.23Å; K600-E606 PolarHBondContact NZ-OE1 2.89Å; R602-E606 WeakPolarHBondContact CA-OE2 3.24Å; R602-E606 HydrophobicContact CB-CB 3.85Å; R602-E606 HydrophobicContact CG-CB 4.38Å; S603-E606 PolarHBondContact N-OE2 3.22Å; S603-E606 PolarHBondContact O-N 3.01Å; S603-E606 PolarHBondContact OG-N 2.83Å; S603-E606 VanDerWaalsContact OG-N 3.12Å; E606-R609 PolarHBondContact O-N 2.79Å; E606-L610 WeakPolarHBondContact O-CB 3.47Å; E606-L610 PolarHBondContact O-N 3.1Å; E606-L610 VanDerWaalsContact O-N 3.08Å
607Y97.6Very high93.6Very high0 Ų047.1 Ų47.10%026%0.262CS..Hα-helixtrans-61.9-43174.8-78-60.4000112.4L547 L574 E576 F578 R602 S603 A604 R609 L610 L611L547-Y607 HydrophobicContact CB-CE1 3.99Å; L547-Y607 HydrophobicContact CD1-CD1 4.29Å; L547-Y607 HydrophobicContact CD1-CE1 4.09Å; L574-Y607 HydrophobicContact CD2-CD1 3.57Å; L574-Y607 HydrophobicContact CD2-CD2 4.12Å; L574-Y607 HydrophobicContact CD2-CE1 4.08Å; L574-Y607 HydrophobicContact CD2-CG 3.59Å; E576-Y607 HydrophobicContact CB-CE2 4.05Å; E576-Y607 HydrophobicContact CG-CE2 4.23Å; F578-Y607 AromaticContact CD1-CD2 3.77Å; F578-Y607 HydrophobicContact CD1-CD2 3.77Å; F578-Y607 AromaticContact CD1-CE2 3.82Å; F578-Y607 HydrophobicContact CD1-CE2 3.82Å; F578-Y607 AromaticContact CE1-CD2 3.67Å; F578-Y607 HydrophobicContact CE1-CD2 3.67Å; F578-Y607 AromaticContact CE1-CE2 3.87Å; F578-Y607 HydrophobicContact CE1-CE2 3.87Å; R602-Y607 HydrophobicContact CB-CD1 4.4Å; R602-Y607 HydrophobicContact CB-CD2 3.89Å; R602-Y607 HydrophobicContact CB-CE1 4.16Å; R602-Y607 HydrophobicContact CB-CE2 3.6Å; R602-Y607 HydrophobicContact CB-CG 4.27Å; R602-Y607 HydrophobicContact CG-CE1 4.47Å; S603-Y607 VanDerWaalsContact O-CD2 3.32Å; S603-Y607 WeakPolarHBondContact O-CD2 3.42Å; S603-Y607 PolarHBondContact O-N 3.47Å; A604-Y607 PolarHBondContact O-N 3.43Å; Y607-R609 PolarHBondContact O-N 2.74Å; Y607-L610 HydrophobicContact CD1-CD2 4.39Å; Y607-L610 WeakPolarHBondContact O-CB 3.49Å; Y607-L610 PolarHBondContact O-N 3.47Å; Y607-L611 WeakPolarHBondContact O-CB 3.33Å; Y607-L611 VanDerWaalsContact O-CG 3.28Å; Y607-L611 WeakPolarHBondContact O-CG 3.39Å; Y607-L611 PolarHBondContact O-N 3.43Å
608S97.4Very high94.6Very high26 Ų2645.6 Ų45.618%0.18225%0.249CC..Hα-helixtrans-60.7-43.7179-63.50000112.4A604 A605 K612 T618 M631A604-S608 WeakPolarHBondContact O-CB 3.28Å; A604-S608 PolarHBondContact O-N 3.24Å; A604-S608 PolarHBondContact O-OG 2.94Å; A605-S608 PolarHBondContact O-N 2.69Å; S608-K612 VanDerWaalsContact O-CB 3.29Å; S608-K612 WeakPolarHBondContact O-CB 3.17Å; S608-K612 PolarHBondContact O-N 3.46Å; S608-T618 WeakPolarHBondContact CA-OG1 3.43Å; S608-T618 WeakPolarHBondContact CB-OG1 3.45Å; S608-T618 PolarHBondContact OG-OG1 3.32Å; S608-M631 VanDerWaalsContact OG-CE 3.32Å; S608-M631 WeakPolarHBondContact OG-CE 3.2Å
609R96.9Very high94.8Very high170 Ų17042.8 Ų42.864%0.64225%0.245SC*.Hα-helixtrans-63.4-42.8175.9-76.5-176.6-71.5-179.4-2.9111.9A605 E606 Y607 K612 G613A605-R609 WeakPolarHBondContact O-CG 3.44Å; A605-R609 PolarHBondContact O-N 2.83Å; A605-R609 PolarHBondContact O-NE 2.74Å; E606-R609 PolarHBondContact O-N 2.79Å; Y607-R609 PolarHBondContact O-N 2.74Å; R609-K612 PolarHBondContact O-N 3.34Å; R609-G613 PolarHBondContact O-N 3.24Å
610L96.9Very high95.2Very high26 Ų2647 Ų4714%0.13626%0.26CS..Hα-helixtrans-62.1-49.1178.517462.5000111.7L555 L559 E606 Y607 K612 G613 H614L555-L610 HydrophobicContact CD1-CD2 3.85Å; L555-L610 HydrophobicContact CD2-CD1 3.55Å; L555-L610 HydrophobicContact CD2-CD2 3.44Å; L555-L610 VanDerWaalsContact CD2-CD2 3.44Å; L555-L610 HydrophobicContact CD2-CG 3.91Å; L555-L610 HydrophobicContact CG-CD2 4.23Å; L559-L610 HydrophobicContact CD1-CD1 4.08Å; L559-L610 HydrophobicContact CD1-CD2 4.03Å; L559-L610 HydrophobicContact CD1-CG 3.72Å; E606-L610 WeakPolarHBondContact O-CB 3.47Å; E606-L610 PolarHBondContact O-N 3.1Å; E606-L610 VanDerWaalsContact O-N 3.08Å; Y607-L610 HydrophobicContact CD1-CD2 4.39Å; Y607-L610 WeakPolarHBondContact O-CB 3.49Å; Y607-L610 PolarHBondContact O-N 3.47Å; L610-K612 VanDerWaalsContact C-N 3.35Å; L610-K612 PolarHBondContact O-N 3.4Å; L610-G613 PolarHBondContact O-N 3.36Å; L610-H614 PolarHBondContact O-CD2 3.13Å
611L97.5Very high95.5Very high0 Ų046 Ų460%026%0.261CS..Hα-helixtrans-65.7-36.7179.4-69.2178000112.1L559 L572 L574 Y607 G613 H614 G615 F616 M631 C633L559-L611 HydrophobicContact CD1-CD2 4.04Å; L559-L611 HydrophobicContact CD2-CD2 3.61Å; L559-L611 HydrophobicContact CG-CD2 4.47Å; L572-L611 HydrophobicContact CD2-CD1 4.18Å; L572-L611 HydrophobicContact CD2-CD2 3.48Å; L572-L611 VanDerWaalsContact CD2-CD2 3.48Å; L572-L611 HydrophobicContact CD2-CG 4.44Å; L574-L611 HydrophobicContact CD2-CD1 4.17Å; Y607-L611 WeakPolarHBondContact O-CB 3.33Å; Y607-L611 VanDerWaalsContact O-CG 3.28Å; Y607-L611 WeakPolarHBondContact O-CG 3.39Å; Y607-L611 PolarHBondContact O-N 3.43Å; L611-G613 VanDerWaalsContact C-N 3.26Å; L611-G613 PolarHBondContact O-N 3.48Å; L611-H614 CarbonylContact O-C 3.47Å; L611-H614 WeakPolarHBondContact O-CA 3.48Å; L611-H614 PolarHBondContact O-N 3.49Å; L611-G615 PolarHBondContact O-N 3.42Å; L611-F616 HydrophobicContact CB-CB 4.08Å; L611-F616 PolarHBondContact O-N 3.24Å; L611-F616 VanDerWaalsContact O-N 3.12Å; L611-M631 HydrophobicContact CD1-SD 4.04Å; L611-C633 VanDerWaalsContact CD1-SG 3.53Å
612K97.5Very high95.7Very high159 Ų15950.1 Ų50.169%0.69128%0.279SS*.Hα-helixtrans-58.5-37.1172.1-174.4176.5179.9178.60112.9S608 R609 L610 H614 G615 F616S608-K612 VanDerWaalsContact O-CB 3.29Å; S608-K612 WeakPolarHBondContact O-CB 3.17Å; S608-K612 PolarHBondContact O-N 3.46Å; R609-K612 PolarHBondContact O-N 3.34Å; L610-K612 VanDerWaalsContact C-N 3.35Å; L610-K612 PolarHBondContact O-N 3.4Å; K612-H614 PolarHBondContact O-N 3.21Å; K612-H614 VanDerWaalsContact O-N 3.14Å; K612-G615 PolarHBondContact O-N 2.9Å; K612-F616 WeakPolarHBondContact CA-O 3.28Å; K612-F616 PolarHBondContact N-O 3.33Å
613G96.6Very high95.6Very high68 Ų6854.8 Ų54.870%0.70130%0.301SS*.THydrogen-bonded Turntrans-60.4-18.6173.700000114.4R609 L610 L611R609-G613 PolarHBondContact O-N 3.24Å; L610-G613 PolarHBondContact O-N 3.36Å; L611-G613 VanDerWaalsContact C-N 3.26Å; L611-G613 PolarHBondContact O-N 3.48Å
614H97.3Very high95.4Very high19 Ų1955.8 Ų55.89%0.08831%0.307CS..THydrogen-bonded Turntrans-110.818.7176.6-63.7-85000112.8H556 L559 S563 L610 L611 K612 F616 K635H556-H614 AromaticContact CE1-NE2 3.85Å; H556-H614 AromaticContact CG-NE2 3.93Å; H556-H614 AromaticContact ND1-CE1 3.56Å; H556-H614 AromaticContact ND1-NE2 3Å; H556-H614 PolarHBondContact ND1-NE2 3Å; H556-H614 PolarHBondContact O-CE1 3.28Å; H556-H614 VanDerWaalsContact O-CE1 3.28Å; L559-H614 HydrophobicContact CB-CB 4.34Å; L559-H614 VanDerWaalsContact CB-CD2 3.48Å; L559-H614 WeakPolarHBondContact CB-CD2 3.45Å; S563-H614 WeakPolarHBondContact CB-O 3.22Å; S563-H614 PolarHBondContact OG-O 2.89Å; L610-H614 PolarHBondContact O-CD2 3.13Å; L611-H614 CarbonylContact O-C 3.47Å; L611-H614 WeakPolarHBondContact O-CA 3.48Å; L611-H614 PolarHBondContact O-N 3.49Å; K612-H614 PolarHBondContact O-N 3.21Å; K612-H614 VanDerWaalsContact O-N 3.14Å; H614-F616 HydrophobicContact CB-CD2 4.19Å; H614-F616 HydrophobicContact CB-CE2 4.38Å; H614-K635 PolarHBondContact O-NZ 3.18Å
615G96.6Very high95Very high27 Ų2761.9 Ų61.928%0.27834%0.338SS..THydrogen-bonded Turntrans77.720.3174.100000115L611 K612 A636L611-G615 PolarHBondContact O-N 3.42Å; K612-G615 PolarHBondContact O-N 2.9Å; G615-A636 PolarHBondContact O-N 3.01Å
616F97.8Very high94.7Very high1 Ų163.2 Ų63.20%0.00434%0.34CS..EExtended strand (participates in β ladder)trans-97.9138.2170-65.8-81.5000110.8I562 L572 L611 K612 H614 C633 T634 K635I562-F616 HydrophobicContact CG2-CZ 3.97Å; L572-F616 HydrophobicContact CB-CD1 4.05Å; L572-F616 HydrophobicContact CB-CE1 3.99Å; L572-F616 HydrophobicContact CD2-CD1 4.35Å; L572-F616 HydrophobicContact CD2-CD2 4.27Å; L572-F616 HydrophobicContact CD2-CE1 4.4Å; L572-F616 HydrophobicContact CD2-CE2 4.31Å; L572-F616 HydrophobicContact CD2-CG 4.29Å; L572-F616 HydrophobicContact CD2-CZ 4.39Å; L611-F616 HydrophobicContact CB-CB 4.08Å; L611-F616 PolarHBondContact O-N 3.24Å; L611-F616 VanDerWaalsContact O-N 3.12Å; K612-F616 WeakPolarHBondContact CA-O 3.28Å; K612-F616 PolarHBondContact N-O 3.33Å; H614-F616 HydrophobicContact CB-CD2 4.19Å; H614-F616 HydrophobicContact CB-CE2 4.38Å; F616-C633 HydrophobicContact CB-CB 4.09Å; F616-T634 CarbonylContact C-O 3.58Å; F616-T634 WeakPolarHBondContact CA-O 3.42Å; F616-K635 HydrophobicContact CD1-CB 4.25Å; F616-K635 HydrophobicContact CD1-CD 4.4Å; F616-K635 HydrophobicContact CE1-CB 4.04Å; F616-K635 HydrophobicContact CE1-CD 4.08Å; F616-K635 HydrophobicContact CZ-CD 4.21Å
617I95.9Very high94.5Very high100 Ų10063.4 Ų63.451%0.51334%0.342SS..EExtended strand (participates in β ladder)trans-104125.1173.1-60.2169.7000107.6A619 C633 T634 A636I617-A619 PolarHBondContact O-N 3.34Å; I617-C633 CarbonylContact O-C 3.53Å; I617-C633 VanDerWaalsContact O-CA 3.24Å; I617-C633 WeakPolarHBondContact O-CA 3.38Å; I617-C633 WeakPolarHBondContact O-CB 3.35Å; I617-T634 PolarHBondContact N-O 2.73Å; I617-T634 PolarHBondContact O-N 3Å; I617-A636 HydrophobicContact CD1-CB 3.71Å; I617-A636 HydrophobicContact CG1-CB 4.09Å
618T90.4Very high94.4Very high41 Ų4163.5 Ų63.525%0.25234%0.343SS..EExtended strand (participates in β ladder)trans-66.1114.9173.9-53.70000109.3S608 V621 M631S608-T618 WeakPolarHBondContact CA-OG1 3.43Å; S608-T618 WeakPolarHBondContact CB-OG1 3.45Å; S608-T618 PolarHBondContact OG-OG1 3.32Å; T618-V621 HydrophobicContact CG2-CG2 3.81Å; T618-M631 HydrophobicContact CG2-CE 4.16Å; T618-M631 HydrophobicContact CG2-CG 3.76Å; T618-M631 HydrophobicContact CG2-SD 3.77Å
619A80.7Confident94.4Very high54 Ų5463 Ų6345%0.44634%0.338SS..EExtended strand (participates in β ladder)trans-88.4-46.9179.100000110.7I617 L632I617-A619 PolarHBondContact O-N 3.34Å; A619-L632 WeakPolarHBondContact CB-O 3.29Å; A619-L632 PolarHBondContact N-O 3.46Å
620Q93.7Very high94.5Very high107 Ų10755 Ų5550%0.531%0.307SS..EExtended strand (participates in β ladder)trans-148.7146.2-174.1-57.2-179.842.300111.5F468 M631 L632F468-Q620 HydrophobicContact CD1-CB 3.94Å; F468-Q620 HydrophobicContact CE1-CB 3.45Å; F468-Q620 VanDerWaalsContact CE1-CB 3.45Å; F468-Q620 HydrophobicContact CZ-CB 4.27Å; Q620-M631 WeakPolarHBondContact O-CA 3.5Å; Q620-L632 PolarHBondContact N-O 3.05Å; Q620-L632 VanDerWaalsContact N-O 3.11Å; Q620-L632 PolarHBondContact O-N 3.06Å
621V96.9Very high94.5Very high65 Ų6553.7 Ų53.739%0.39430%0.301SS..EExtended strand (participates in β ladder)trans-128.4134.4173.2-177.40000107.9F578 A604 T618 M631F578-V621 HydrophobicContact CD2-CG1 4.04Å; F578-V621 HydrophobicContact CE2-CG1 3.86Å; A604-V621 HydrophobicContact CB-CG1 3.89Å; A604-V621 HydrophobicContact CB-CG2 4.5Å; T618-V621 HydrophobicContact CG2-CG2 3.81Å; V621-M631 HydrophobicContact CG2-CE 3.6Å; V621-M631 HydrophobicContact CG2-CG 4.06Å; V621-M631 HydrophobicContact CG2-CB 4.44Å
622K96.6Very high94.6Very high86 Ų8654.2 Ų54.237%0.37430%0.304SS..EExtended strand (participates in β ladder)trans-136.2122.3-180-169.8175.8-175.5177.40110.8T466 A467 F468 A630T466-K622 PolarHBondContact O-NZ 3.26Å; A467-K622 HydrophobicContact CB-CD 3.96Å; A467-K622 WeakPolarHBondContact O-CD 3.48Å; A467-K622 PolarHBondContact O-NZ 2.95Å; F468-K622 HydrophobicContact CE1-CB 4.02Å; F468-K622 HydrophobicContact CZ-CB 3.96Å; K622-A630 PolarHBondContact N-O 2.98Å; K622-A630 PolarHBondContact O-N 2.94Å
623H94.9Very high94.6Very high109 Ų10946.6 Ų46.651%0.50527%0.271SS..  trans-78.8120.1164.9-65.1-70.7000108.9N625 D629H623-N625 VanDerWaalsContact C-N 3.34Å; H623-D629 VanDerWaalsContact CA-OD1 3.22Å; H623-D629 WeakPolarHBondContact CA-OD1 3.34Å; H623-D629 IonicContact CG-OD1 3.56Å; H623-D629 IonicContact ND1-OD1 3.58Å; H623-D629 PolarHBondContact ND1-OD1 3.44Å; H623-D629 VanDerWaalsContact ND1-OD1 3.14Å; H623-D629 IonicContact ND1-OD2 2.83Å
624T92.8Very high94.6Very high24 Ų2445.6 Ų45.615%0.14725%0.251CS..  trans-86.7-7.5-170.974.50000113.5A463 N626 L628 D629 A630A463-T624 HydrophobicContact CB-CG2 4.43Å; T624-N626 PolarHBondContact O-N 2.92Å; T624-N626 PolarHBondContact OG1-N 3.32Å; T624-N626 WeakPolarHBondContact OG1-CB 3.39Å; T624-N626 VanDerWaalsContact OG1-CB 3.32Å; T624-L628 WeakPolarHBondContact CB-O 3.03Å; T624-L628 VanDerWaalsContact CG2-O 3.22Å; T624-L628 WeakPolarHBondContact CG2-O 3.34Å; T624-L628 PolarHBondContact OG1-O 3.37Å; T624-D629 PolarHBondContact N-OD1 2.91Å; T624-A630 HydrophobicContact CG2-CB 4.47Å
625N87.7Confident94.6Very high141 Ų14146.3 Ų46.375%0.75425%0.254SS*.SBendtrans52.331.2-168.6-55.4-34000112.2H623H623-N625 VanDerWaalsContact C-N 3.34Å
626N91.3Very high94.3Very high64 Ų6449.4 Ų49.434%0.34228%0.277SS..SBendtrans-129.8-164.4175.3-157.7-54.8000108V459 A463 T624 L628V459-N626 PolarHBondContact O-ND2 3.35Å; V459-N626 PolarHBondContact O-OD1 2.82Å; A463-N626 HydrophobicContact CB-CB 3.87Å; T624-N626 PolarHBondContact O-N 2.92Å; T624-N626 PolarHBondContact OG1-N 3.32Å; T624-N626 WeakPolarHBondContact OG1-CB 3.39Å; T624-N626 VanDerWaalsContact OG1-CB 3.32Å; N626-L628 PolarHBondContact O-N 2.94Å; N626-L628 VanDerWaalsContact O-N 3.14Å
627L91.1Very high94.1Very high45 Ų4551.9 Ų51.924%0.23629%0.29CS..SBendtrans-66.5-15.9-174.2-63.3-175.9000114.7V459 A460 R588V459-L627 HydrophobicContact CB-CD1 3.94Å; V459-L627 HydrophobicContact CG1-CD1 3.78Å; V459-L627 HydrophobicContact CG1-CG 4.1Å; A460-L627 HydrophobicContact CB-CB 4.21Å; R588-L627 PolarHBondContact NH1-O 2.92Å
628L96.4Very high94Very high2 Ų249.3 Ų49.31%0.0128%0.279CS..  trans-144.8144.5-176.1-62.7174.6000111A460 V464 F486 V544 R545 S575 I577 T624 N626A460-L628 HydrophobicContact CB-CD1 3.96Å; A460-L628 HydrophobicContact CB-CG 4.2Å; V464-L628 HydrophobicContact CG2-CB 4.31Å; F486-L628 HydrophobicContact CZ-CD1 3.85Å; V544-L628 HydrophobicContact CG1-CD1 3.71Å; R545-L628 HydrophobicContact CG-CD1 3.97Å; R545-L628 HydrophobicContact CG-CD2 3.72Å; S575-L628 WeakPolarHBondContact OG-CB 3.48Å; I577-L628 HydrophobicContact CG1-CD2 3.95Å; T624-L628 WeakPolarHBondContact CB-O 3.03Å; T624-L628 VanDerWaalsContact CG2-O 3.22Å; T624-L628 WeakPolarHBondContact CG2-O 3.34Å; T624-L628 PolarHBondContact OG1-O 3.37Å; N626-L628 PolarHBondContact O-N 2.94Å; N626-L628 VanDerWaalsContact O-N 3.14Å
629D97.4Very high94.2Very high16 Ų1649.8 Ų49.89%0.08628%0.28CS..EExtended strand (participates in β ladder)trans-91.8168.8170-57-57000110.3S575 E576 F578 H623 T624S575-D629 WeakPolarHBondContact CA-O 3.09Å; S575-D629 WeakPolarHBondContact CB-O 3.23Å; S575-D629 PolarHBondContact OG-O 2.8Å; E576-D629 PolarHBondContact N-O 2.91Å; E576-D629 PolarHBondContact O-N 2.89Å; F578-D629 HydrophobicContact CB-CB 4.16Å; F578-D629 WeakPolarHBondContact CB-OD2 3.45Å; F578-D629 HydrophobicContact CD1-CB 4.43Å; F578-D629 HydrophobicContact CD2-CB 3.31Å; F578-D629 HydrophobicContact CE2-CB 3.67Å; F578-D629 HydrophobicContact CG-CB 3.73Å; F578-D629 HydrophobicContact CZ-CB 4.38Å; F578-D629 PolarHBondContact N-OD2 3.13Å; H623-D629 VanDerWaalsContact CA-OD1 3.22Å; H623-D629 WeakPolarHBondContact CA-OD1 3.34Å; H623-D629 IonicContact CG-OD1 3.56Å; H623-D629 IonicContact ND1-OD1 3.58Å; H623-D629 PolarHBondContact ND1-OD1 3.44Å; H623-D629 VanDerWaalsContact ND1-OD1 3.14Å; H623-D629 IonicContact ND1-OD2 2.83Å; T624-D629 PolarHBondContact N-OD1 2.91Å
630A98.1Very high95Very high0 Ų049.5 Ų49.50%027%0.27CS..EExtended strand (participates in β ladder)trans-136.5145.3-179.100000111.9V464 A467 F468 L573 L574 K622 T624V464-A630 HydrophobicContact CG1-CB 4.48Å; A467-A630 HydrophobicContact CB-CB 3.74Å; F468-A630 HydrophobicContact CE2-CB 3.68Å; F468-A630 HydrophobicContact CZ-CB 4.21Å; L573-A630 HydrophobicContact CD1-CB 4.44Å; L574-A630 CarbonylContact O-C 3.6Å; L574-A630 WeakPolarHBondContact O-CA 3.34Å; K622-A630 PolarHBondContact N-O 2.98Å; K622-A630 PolarHBondContact O-N 2.94Å; T624-A630 HydrophobicContact CG2-CB 4.47Å
631M98.1Very high95.1Very high0 Ų045.9 Ų45.90%026%0.256CS..EExtended strand (participates in β ladder)trans-135.9132.2175.1175-175-6600109L574 F578 A604 S608 L611 T618 Q620 V621 C633L574-M631 HydrophobicContact CB-CB 4.42Å; L574-M631 PolarHBondContact N-O 3.03Å; L574-M631 PolarHBondContact O-N 3.17Å; F578-M631 HydrophobicContact CE2-CB 4.01Å; F578-M631 HydrophobicContact CE2-CE 4.47Å; F578-M631 HydrophobicContact CZ-CB 3.7Å; F578-M631 HydrophobicContact CZ-CE 4.34Å; A604-M631 HydrophobicContact CB-CE 3.92Å; A604-M631 VanDerWaalsContact O-CE 3.25Å; A604-M631 WeakPolarHBondContact O-CE 3.42Å; S608-M631 VanDerWaalsContact OG-CE 3.32Å; S608-M631 WeakPolarHBondContact OG-CE 3.2Å; L611-M631 HydrophobicContact CD1-SD 4.04Å; T618-M631 HydrophobicContact CG2-CE 4.16Å; T618-M631 HydrophobicContact CG2-CG 3.76Å; T618-M631 HydrophobicContact CG2-SD 3.77Å; Q620-M631 WeakPolarHBondContact O-CA 3.5Å; V621-M631 HydrophobicContact CG2-CE 3.6Å; V621-M631 HydrophobicContact CG2-CG 4.06Å; V621-M631 HydrophobicContact CG2-CB 4.44Å; M631-C633 VanDerWaalsContact SD-SG 3.65Å
632L98.3Very high94.9Very high10 Ų1044.7 Ų44.75%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-109.2124.7173.2-176.164.6000109.2F468 L470 Y473 L540 L573 A619 Q620F468-L632 HydrophobicContact CB-CD2 4.08Å; F468-L632 HydrophobicContact CD1-CB 4.31Å; F468-L632 HydrophobicContact CD2-CB 3.76Å; F468-L632 HydrophobicContact CE1-CB 4.39Å; F468-L632 HydrophobicContact CE2-CB 3.82Å; F468-L632 HydrophobicContact CG-CB 4.01Å; F468-L632 HydrophobicContact CG-CD2 4.2Å; F468-L632 HydrophobicContact CZ-CB 4.14Å; L470-L632 HydrophobicContact CD2-CD1 4.18Å; L470-L632 HydrophobicContact CD2-CD2 4.17Å; Y473-L632 HydrophobicContact CE2-CD1 4.49Å; L540-L632 HydrophobicContact CD1-CD1 4.17Å; L573-L632 HydrophobicContact CB-CD1 4.47Å; A619-L632 WeakPolarHBondContact CB-O 3.29Å; A619-L632 PolarHBondContact N-O 3.46Å; Q620-L632 PolarHBondContact N-O 3.05Å; Q620-L632 VanDerWaalsContact N-O 3.11Å; Q620-L632 PolarHBondContact O-N 3.06Å
633C97.9Very high94.8Very high0 Ų041.7 Ų41.70%024%0.238CC..EExtended strand (participates in β ladder)trans-119.4156.5176.4-56.40000110.6G571 L572 L611 F616 I617 M631G571-C633 CarbonylContact C-O 3.56Å; G571-C633 WeakPolarHBondContact CA-O 3.43Å; L572-C633 HydrophobicContact CB-CB 4.3Å; L572-C633 PolarHBondContact N-O 3.29Å; L572-C633 PolarHBondContact O-N 2.87Å; L611-C633 VanDerWaalsContact CD1-SG 3.53Å; F616-C633 HydrophobicContact CB-CB 4.09Å; I617-C633 CarbonylContact O-C 3.53Å; I617-C633 VanDerWaalsContact O-CA 3.24Å; I617-C633 WeakPolarHBondContact O-CA 3.38Å; I617-C633 WeakPolarHBondContact O-CB 3.35Å; M631-C633 VanDerWaalsContact SD-SG 3.65Å
634T97.3Very high94.8Very high46 Ų4636.5 Ų36.528%0.28222%0.217SC..EExtended strand (participates in β ladder)trans-124.6139.1177.153.80000110.5C570 F616 I617 A636C570-T634 CarbonylContact O-C 3.14Å; C570-T634 WeakPolarHBondContact O-CA 3.49Å; F616-T634 CarbonylContact C-O 3.58Å; F616-T634 WeakPolarHBondContact CA-O 3.42Å; I617-T634 PolarHBondContact N-O 2.73Å; I617-T634 PolarHBondContact O-N 3Å; T634-A636 PolarHBondContact O-N 2.71Å
635K96.9Very high95Very high35 Ų3537.6 Ų37.615%0.15222%0.223CC..EExtended strand (participates in β ladder)trans-66.4124.8172.5-17572.3-168.9-179.50109.3S563 C566 T567 G569 C570 H614 F616S563-K635 PolarHBondContact OG-NZ 2.86Å; C566-K635 HydrophobicContact CB-CB 4.08Å; C566-K635 HydrophobicContact CB-CD 4.04Å; C566-K635 HydrophobicContact CB-CG 3.89Å; T567-K635 WeakPolarHBondContact O-CB 3.43Å; G569-K635 PolarHBondContact N-O 2.86Å; C570-K635 HydrophobicContact CB-CB 4.26Å; C570-K635 PolarHBondContact O-N 3.04Å; H614-K635 PolarHBondContact O-NZ 3.18Å; F616-K635 HydrophobicContact CD1-CB 4.25Å; F616-K635 HydrophobicContact CD1-CD 4.4Å; F616-K635 HydrophobicContact CE1-CB 4.04Å; F616-K635 HydrophobicContact CE1-CD 4.08Å; F616-K635 HydrophobicContact CZ-CD 4.21Å
636A89.4Confident95.7Very high92 Ų9228.2 Ų28.276%0.7618%0.175SC*.  trans-67.80178.900000112.8G615 I617 T634G615-A636 PolarHBondContact O-N 3.01Å; I617-A636 HydrophobicContact CD1-CB 3.71Å; I617-A636 HydrophobicContact CG1-CB 4.09Å; T634-A636 PolarHBondContact O-N 2.71Å

Retrieved 636 of 636 residues in 496.8 ms (Link to these results)

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