A0A077YX60_TRITR Loading...

Cell division control protein 2-like protein

AlphaFold DB , UniProt , Accession A0A077YX60, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 600 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
1M43.8Very low71.5Confident173 Ų17381.8 Ų81.885%0.85243%0.434SS*.  0-8.10-92.8-169.7-97.600114.2G3 M4 R73M1-G3 PolarHBondContact O-N 2.74Å; M1-M4 PolarHBondContact O-N 2.68Å; M1-R73 PolarHBondContact SD-NH2 2.98Å
2S46.2Very low73.4Confident105 Ų10576.3 Ų76.373%0.73441%0.405SS*.Hα-helixtrans-58.5-45.8178.551.80000113.1M4 R5S2-M4 PolarHBondContact O-N 3.1Å; S2-M4 VanDerWaalsContact O-N 3.09Å; S2-R5 PolarHBondContact O-N 3.1Å; S2-R5 VanDerWaalsContact O-N 3.1Å
3G50.4Low75.2Confident20 Ų2076.4 Ų76.421%0.20640%0.401CS..Hα-helixtrans-63.3-17.6-178.500000115.6M1M1-G3 PolarHBondContact O-N 2.74Å
4M60Low76.7Confident22 Ų2277.4 Ų77.411%0.10840%0.401CS..Hα-helixtrans-83.1-22.5177.4-122.2177.2175.200113.1M1 S2 M7 T36 F38 M75 K76M1-M4 PolarHBondContact O-N 2.68Å; S2-M4 PolarHBondContact O-N 3.1Å; S2-M4 VanDerWaalsContact O-N 3.09Å; M4-M7 HydrophobicContact CG-CE 4.45Å; M4-T36 HydrophobicContact CE-CG2 3.78Å; M4-T36 HydrophobicContact SD-CG2 4.41Å; M4-F38 HydrophobicContact CE-CB 4.4Å; M4-F38 HydrophobicContact CE-CD1 3.65Å; M4-F38 HydrophobicContact CE-CE1 4.28Å; M4-F38 HydrophobicContact CE-CG 4.35Å; M4-M75 HydrophobicContact CE-CE 3.4Å; M4-M75 HydrophobicContact CE-SD 3.63Å; M4-M75 HydrophobicContact SD-CE 3.19Å; M4-M75 WeakPolarHBondContact SD-CE 3.43Å; M4-M75 HydrophobicContact SD-SD 4.11Å; M4-K76 VanDerWaalsContact O-CD 3.28Å; M4-K76 WeakPolarHBondContact O-CD 3.33Å
5R63.8Low78.1Confident215 Ų21576.7 Ų76.781%0.81140%0.397SS*.Hα-helixtrans-70.2-38.8178.7-77.7-173.5177.4177.20.8111.5S2 K76S2-R5 PolarHBondContact O-N 3.1Å; S2-R5 VanDerWaalsContact O-N 3.1Å; R5-K76 PolarHBondContact O-NZ 3.38Å
6E72.3Confident79.2Confident165 Ų16577.6 Ų77.677%0.77140%0.399SS*.SBendtrans-87.9-8.8-176.7-67.1178.7179.600114.3T8E6-T8 PolarHBondContact O-N 3.08Å
7M82Confident80.1Confident1 Ų179.9 Ų79.91%0.00541%0.405CS..  trans-55.5125.7-176.9-168.9175.567.500113.1M4 D11 S31 F38 K76 I87M4-M7 HydrophobicContact CG-CE 4.45Å; M7-D11 WeakPolarHBondContact CA-OD2 3.43Å; M7-D11 HydrophobicContact CG-CB 3.59Å; M7-S31 PolarHBondContact SD-OG 2.93Å; M7-F38 HydrophobicContact CE-CE1 3.96Å; M7-F38 HydrophobicContact CE-CZ 3.94Å; M7-F38 HydrophobicContact SD-CE1 4.02Å; M7-F38 HydrophobicContact SD-CZ 4.24Å; M7-K76 HydrophobicContact CE-CD 4.48Å; M7-K76 PolarHBondContact O-NZ 3.13Å; M7-I87 HydrophobicContact CE-CD1 3.25Å
8T90.1Very high80.7Confident53 Ų5379.3 Ų79.333%0.32540%0.403SS..  trans-101.8177.9176.363.20000111.2E6 S10 D11 E80E6-T8 PolarHBondContact O-N 3.08Å; T8-S10 PolarHBondContact O-N 3.37Å; T8-S10 PolarHBondContact OG1-OG 3.49Å; T8-D11 PolarHBondContact N-OD2 3.16Å; T8-D11 PolarHBondContact O-N 2.89Å; T8-D11 PolarHBondContact OG1-OD2 3.18Å; T8-E80 WeakPolarHBondContact CA-OE1 3.45Å; T8-E80 VanDerWaalsContact CB-OE1 3.26Å; T8-E80 WeakPolarHBondContact CB-OE1 3.16Å
9S90.7Very high81Confident33 Ų3376.6 Ų76.623%0.23140%0.397CS..G310 helixtrans-60.6-32.1176.973.90000112.7D11 I12 E80 F83S9-D11 PolarHBondContact O-N 3.39Å; S9-I12 WeakPolarHBondContact O-CB 3.43Å; S9-I12 PolarHBondContact O-N 3.14Å; S9-E80 WeakPolarHBondContact CB-OE2 3.34Å; S9-E80 PolarHBondContact N-OE1 2.72Å; S9-E80 PolarHBondContact OG-OE2 3.23Å; S9-F83 VanDerWaalsContact CB-CD1 3.49Å
10S92.6Very high81.2Confident77 Ų7778.4 Ų78.454%0.53840%0.403SS..G310 helixtrans-65.6-25178.656.80000113.3T8 I12 K32T8-S10 PolarHBondContact O-N 3.37Å; T8-S10 PolarHBondContact OG1-OG 3.49Å; S10-I12 VanDerWaalsContact C-N 3.26Å; S10-I12 PolarHBondContact O-N 2.67Å; S10-K32 PolarHBondContact O-NZ 3.34Å
11D94.1Very high80.8Confident36 Ų3675.4 Ų75.419%0.19339%0.391CS..G310 helixtrans-84.5-1-178.9-58.2-33.3000113M7 T8 S9 K32 I33M7-D11 WeakPolarHBondContact CA-OD2 3.43Å; M7-D11 HydrophobicContact CG-CB 3.59Å; T8-D11 PolarHBondContact N-OD2 3.16Å; T8-D11 PolarHBondContact O-N 2.89Å; T8-D11 PolarHBondContact OG1-OD2 3.18Å; S9-D11 PolarHBondContact O-N 3.39Å; D11-K32 WeakPolarHBondContact O-CB 3.43Å; D11-K32 WeakPolarHBondContact O-CG 3.28Å; D11-K32 PolarHBondContact O-N 3.41Å; D11-I33 HydrophobicContact CB-CD1 4.06Å; D11-I33 HydrophobicContact CB-CG1 4.29Å; D11-I33 WeakPolarHBondContact OD2-CD1 3.3Å
12I95.1Very high82.4Confident16 Ų1670.9 Ų70.98%0.08237%0.374CS..EExtended strand (participates in β ladder)trans-94.2127.6-178.8-58.8-173.7000110S9 S10 K14 A29 K32 F38 L40 I78 F83 I87S9-I12 WeakPolarHBondContact O-CB 3.43Å; S9-I12 PolarHBondContact O-N 3.14Å; S10-I12 VanDerWaalsContact C-N 3.26Å; S10-I12 PolarHBondContact O-N 2.67Å; I12-K14 HydrophobicContact CG2-CG 4.39Å; I12-A29 HydrophobicContact CG2-CB 3.86Å; I12-K32 WeakPolarHBondContact O-CE 3.45Å; I12-F38 HydrophobicContact CB-CZ 4.48Å; I12-F38 HydrophobicContact CD1-CE2 4.36Å; I12-F38 HydrophobicContact CD1-CZ 4.33Å; I12-F38 HydrophobicContact CG1-CZ 4.03Å; I12-F38 HydrophobicContact CG2-CE2 4.15Å; I12-F38 HydrophobicContact CG2-CZ 4.02Å; I12-L40 HydrophobicContact CD1-CD1 4.41Å; I12-L40 HydrophobicContact CD1-CD2 4.33Å; I12-L40 HydrophobicContact CG2-CD2 4.07Å; I12-I78 HydrophobicContact CD1-CD1 3.68Å; I12-F83 HydrophobicContact CD1-CE1 4.45Å; I12-F83 HydrophobicContact CD1-CZ 4.36Å; I12-I87 HydrophobicContact CD1-CD1 4.02Å
13E96.6Very high84Confident77 Ų7768.6 Ų68.636%0.3635%0.349SS..EExtended strand (participates in β ladder)trans-103.4109.8164.8-177.7-171.4-169.200108.5L15 A29 R30 K32E13-L15 HydrophobicContact CG-CD2 3.98Å; E13-L15 PolarHBondContact O-N 3.4Å; E13-A29 CarbonylContact O-C 3.56Å; E13-A29 WeakPolarHBondContact O-CA 3.34Å; E13-A29 WeakPolarHBondContact O-CB 3.44Å; E13-R30 HydrophobicContact CB-CB 4.33Å; E13-R30 PolarHBondContact N-O 2.97Å; E13-R30 PolarHBondContact O-N 3.15Å; E13-R30 WeakPolarHBondContact OE2-CD 3.35Å; E13-R30 IonicContact OE2-NE 2.72Å; E13-R30 IonicContact OE2-NH1 2.91Å; E13-K32 HydrophobicContact CB-CG 4.18Å
14K96.6Very high85.6Confident91 Ų9167.7 Ų67.740%0.39634%0.34SS..EExtended strand (participates in β ladder)trans-74.9122.2173.4-63.7-179.3-172.3177.40108.4I12 Y27 L40 E42I12-K14 HydrophobicContact CG2-CG 4.39Å; K14-Y27 HydrophobicContact CB-CD1 4.4Å; K14-Y27 HydrophobicContact CD-CD1 4.28Å; K14-Y27 HydrophobicContact CD-CD2 4.13Å; K14-Y27 HydrophobicContact CD-CE1 4.39Å; K14-Y27 HydrophobicContact CD-CE2 4.22Å; K14-Y27 HydrophobicContact CD-CG 4.16Å; K14-Y27 HydrophobicContact CG-CG 4.38Å; K14-L40 HydrophobicContact CG-CD2 4.42Å; K14-E42 IonicContact NZ-OE1 3.94Å; K14-E42 PolarHBondContact NZ-OE1 2.93Å; K14-E42 IonicContact NZ-OE2 2.64Å; K14-E42 PolarHBondContact NZ-OE2 3.14Å
15L96.8Very high87.2Confident66 Ų6667.2 Ų67.235%0.34634%0.339SS..EExtended strand (participates in β ladder)trans-95-56.6-176.8-59.6178.2000111.6E13 K28 R30 I37E13-L15 HydrophobicContact CG-CD2 3.98Å; E13-L15 PolarHBondContact O-N 3.4Å; L15-K28 WeakPolarHBondContact CB-O 3.25Å; L15-K28 HydrophobicContact CD1-CD 4.47Å; L15-K28 HydrophobicContact CD1-CG 4.33Å; L15-K28 PolarHBondContact N-O 3.44Å; L15-R30 HydrophobicContact CD1-CB 4.14Å; L15-R30 HydrophobicContact CD2-CB 4.43Å; L15-R30 HydrophobicContact CG-CB 4.35Å; L15-I37 HydrophobicContact CD1-CD1 3.69Å
16E95.8Very high88.6Confident91 Ų9159 Ų5943%0.42531%0.31SS..EExtended strand (participates in β ladder)trans-147.8146.7-178.158.6-178.5163.500110.7I18 Y27 K28E16-I18 HydrophobicContact CG-CG2 3.76Å; E16-I18 PolarHBondContact O-N 2.82Å; E16-Y27 CarbonylContact O-C 3.2Å; E16-Y27 VanDerWaalsContact O-CA 3.23Å; E16-Y27 WeakPolarHBondContact O-CA 3.1Å; E16-K28 HydrophobicContact CG-CB 3.71Å; E16-K28 HydrophobicContact CG-CD 3.82Å; E16-K28 HydrophobicContact CG-CG 4.44Å; E16-K28 PolarHBondContact N-O 2.85Å; E16-K28 PolarHBondContact O-N 2.91Å; E16-K28 WeakPolarHBondContact OE1-CD 3.34Å; E16-K28 IonicContact OE1-NZ 2.93Å; E16-K28 PolarHBondContact OE1-NZ 3.19Å
17K95.4Very high89.7Confident117 Ų11753.4 Ų53.451%0.50928%0.283SS..EExtended strand (participates in β ladder)trans-79.5117.1170.4-175178.1175.5177.80108.4G19 E20 P25 Y27K17-G19 WeakPolarHBondContact CE-O 3.41Å; K17-E20 WeakPolarHBondContact CE-OE2 3.47Å; K17-E20 IonicContact NZ-OE2 2.83Å; K17-E20 PolarHBondContact NZ-OE2 2.95Å; K17-P25 HydrophobicContact CD-CB 4.33Å; K17-Y27 HydrophobicContact CB-CD1 3.92Å; K17-Y27 HydrophobicContact CB-CE1 3.77Å; K17-Y27 HydrophobicContact CG-CD1 4.42Å; K17-Y27 HydrophobicContact CG-CE1 4.13Å
18I90.7Very high90.4Very high70 Ų7055.9 Ų55.936%0.35929%0.293SS..EExtended strand (participates in β ladder)trans-103.9-9.9-175.862.3178.3000113.4E16 I26 K28 A39 Y90E16-I18 HydrophobicContact CG-CG2 3.76Å; E16-I18 PolarHBondContact O-N 2.82Å; I18-I26 HydrophobicContact CD1-CG2 3.86Å; I18-I26 HydrophobicContact CG1-CB 4.18Å; I18-I26 HydrophobicContact CG1-CG2 3.73Å; I18-I26 WeakPolarHBondContact CG1-O 3.08Å; I18-I26 PolarHBondContact N-O 2.85Å; I18-K28 HydrophobicContact CD1-CB 4.38Å; I18-K28 HydrophobicContact CG2-CB 3.76Å; I18-A39 HydrophobicContact CD1-CB 4.26Å; I18-Y90 HydrophobicContact CD1-CD2 4.02Å; I18-Y90 HydrophobicContact CD1-CE2 3.76Å; I18-Y90 HydrophobicContact CG2-CE2 4.38Å
19G85.7Confident90.8Very high28 Ų2853.3 Ų53.329%0.28928%0.278SS..EExtended strand (participates in β ladder)trans-179.6-178.7176.300000114.5K17 I26K17-G19 WeakPolarHBondContact CE-O 3.41Å; G19-I26 PolarHBondContact N-O 3.01Å; G19-I26 PolarHBondContact O-N 3.02Å
20E84.6Confident91.1Very high112 Ų11256.5 Ų56.552%0.52329%0.285SS..EExtended strand (participates in β ladder)trans-122.3119.5171.9-160.982.2-164.600108.1K17 K44K17-E20 WeakPolarHBondContact CE-OE2 3.47Å; K17-E20 IonicContact NZ-OE2 2.83Å; K17-E20 PolarHBondContact NZ-OE2 2.95Å; E20-K44 IonicContact OE1-NZ 3.73Å
21G74.6Confident91.1Very high15 Ų1552.8 Ų52.816%0.15526%0.259CS..EExtended strand (participates in β ladder)trans-93.1172.6172.100000111.8Y23 G24G21-Y23 PolarHBondContact O-N 3.02Å; G21-Y23 VanDerWaalsContact O-N 3.08Å; G21-G24 WeakPolarHBondContact CA-O 3.34Å; G21-G24 PolarHBondContact N-O 3.21Å; G21-G24 PolarHBondContact O-N 2.96Å
22T76.6Confident91.1Very high79 Ų7957.4 Ų57.449%0.48528%0.277SS..THydrogen-bonded Turntrans-54.3-32.6-178-45.80000114T156T22-T156 HydrophobicContact CG2-CG2 4Å; T22-T156 WeakPolarHBondContact OG1-CG2 3.44Å
23Y79.9Confident90.9Very high56 Ų5661.2 Ų61.222%0.2230%0.297CS..THydrogen-bonded Turntrans-12010.8-175.1-54.3-59.6000113.8G21 K44 P52 A54 A55 T156G21-Y23 PolarHBondContact O-N 3.02Å; G21-Y23 VanDerWaalsContact O-N 3.08Å; Y23-K44 WeakPolarHBondContact O-CB 3.49Å; Y23-K44 PolarHBondContact O-N 2.9Å; Y23-P52 HydrophobicContact CD1-CB 4.01Å; Y23-P52 HydrophobicContact CD1-CG 4.1Å; Y23-P52 HydrophobicContact CE1-CB 4.29Å; Y23-P52 HydrophobicContact CG-CB 4.19Å; Y23-P52 HydrophobicContact CG-CG 4.21Å; Y23-A54 HydrophobicContact CE1-CB 4.4Å; Y23-A54 HydrophobicContact CE2-CB 3.42Å; Y23-A54 VanDerWaalsContact CE2-CB 3.42Å; Y23-A54 WeakPolarHBondContact OH-CB 3.3Å; Y23-A55 HydrophobicContact CD2-CB 4.32Å; Y23-T156 HydrophobicContact CD2-CG2 4.18Å; Y23-T156 HydrophobicContact CE2-CG2 3.35Å
24G84.3Confident90.6Very high1 Ų160.4 Ų60.41%0.0130%0.297CS..EExtended strand (participates in β ladder)trans153.5175175.700000114.7G21 E42G21-G24 WeakPolarHBondContact CA-O 3.34Å; G21-G24 PolarHBondContact N-O 3.21Å; G21-G24 PolarHBondContact O-N 2.96Å; G24-E42 CarbonylContact C-O 3.23Å; G24-E42 VanDerWaalsContact CA-O 3.28Å; G24-E42 WeakPolarHBondContact CA-O 3.25Å
25P92Very high90.4Very high13 Ų1358.2 Ų58.28%0.08430%0.3CS..EExtended strand (participates in β ladder)trans-65.5149.2-176.527.7-35.7000112.6K17 Y27 E42K17-P25 HydrophobicContact CD-CB 4.33Å; P25-Y27 HydrophobicContact CB-CD2 4.39Å; P25-Y27 HydrophobicContact CB-CE2 3.6Å; P25-Y27 HydrophobicContact CG-CE2 3.51Å; P25-E42 HydrophobicContact CG-CB 4.32Å; P25-E42 PolarHBondContact O-N 3.35Å
26I93.5Very high90.1Very high41 Ų4157.8 Ų57.821%0.2130%0.3CS..EExtended strand (participates in β ladder)trans-109.3127.3173.2-52.1176.7000108I18 G19 L40 K41I18-I26 HydrophobicContact CD1-CG2 3.86Å; I18-I26 HydrophobicContact CG1-CB 4.18Å; I18-I26 HydrophobicContact CG1-CG2 3.73Å; I18-I26 WeakPolarHBondContact CG1-O 3.08Å; I18-I26 PolarHBondContact N-O 2.85Å; G19-I26 PolarHBondContact N-O 3.01Å; G19-I26 PolarHBondContact O-N 3.02Å; I26-L40 CarbonylContact C-O 3.54Å; I26-L40 VanDerWaalsContact CA-O 3.3Å; I26-L40 WeakPolarHBondContact CA-O 3.23Å; I26-K41 HydrophobicContact CG1-CB 4.3Å; I26-K41 HydrophobicContact CG1-CG 4.21Å
27Y96.4Very high90.1Very high49 Ų4956.2 Ų56.219%0.19230%0.295CS..EExtended strand (participates in β ladder)trans-115.1144.7178.3-62.1-87.8000110.8K14 E16 K17 P25 A39 L40 E42K14-Y27 HydrophobicContact CB-CD1 4.4Å; K14-Y27 HydrophobicContact CD-CD1 4.28Å; K14-Y27 HydrophobicContact CD-CD2 4.13Å; K14-Y27 HydrophobicContact CD-CE1 4.39Å; K14-Y27 HydrophobicContact CD-CE2 4.22Å; K14-Y27 HydrophobicContact CD-CG 4.16Å; K14-Y27 HydrophobicContact CG-CG 4.38Å; E16-Y27 CarbonylContact O-C 3.2Å; E16-Y27 VanDerWaalsContact O-CA 3.23Å; E16-Y27 WeakPolarHBondContact O-CA 3.1Å; K17-Y27 HydrophobicContact CB-CD1 3.92Å; K17-Y27 HydrophobicContact CB-CE1 3.77Å; K17-Y27 HydrophobicContact CG-CD1 4.42Å; K17-Y27 HydrophobicContact CG-CE1 4.13Å; P25-Y27 HydrophobicContact CB-CD2 4.39Å; P25-Y27 HydrophobicContact CB-CE2 3.6Å; P25-Y27 HydrophobicContact CG-CE2 3.51Å; Y27-A39 CarbonylContact O-C 3.14Å; Y27-A39 WeakPolarHBondContact O-CA 3.4Å; Y27-L40 PolarHBondContact N-O 3.19Å; Y27-L40 PolarHBondContact O-N 3.46Å; Y27-E42 HydrophobicContact CE2-CB 4.38Å; Y27-E42 VanDerWaalsContact CE2-OE2 3.22Å; Y27-E42 WeakPolarHBondContact CE2-OE2 3.3Å
28K97.1Very high90.2Very high52 Ų5250.7 Ų50.723%0.22627%0.27CS..EExtended strand (participates in β ladder)trans-77.4131.5152.7-179.8-170.9-173.7-178.60107.3L15 E16 I18 I37 Y90L15-K28 WeakPolarHBondContact CB-O 3.25Å; L15-K28 HydrophobicContact CD1-CD 4.47Å; L15-K28 HydrophobicContact CD1-CG 4.33Å; L15-K28 PolarHBondContact N-O 3.44Å; E16-K28 HydrophobicContact CG-CB 3.71Å; E16-K28 HydrophobicContact CG-CD 3.82Å; E16-K28 HydrophobicContact CG-CG 4.44Å; E16-K28 PolarHBondContact N-O 2.85Å; E16-K28 PolarHBondContact O-N 2.91Å; E16-K28 WeakPolarHBondContact OE1-CD 3.34Å; E16-K28 IonicContact OE1-NZ 2.93Å; E16-K28 PolarHBondContact OE1-NZ 3.19Å; I18-K28 HydrophobicContact CD1-CB 4.38Å; I18-K28 HydrophobicContact CG2-CB 3.76Å; K28-I37 HydrophobicContact CD-CG2 4.46Å; K28-I37 HydrophobicContact CG-CG2 3.85Å; K28-Y90 HydrophobicContact CB-CD2 4.11Å; K28-Y90 HydrophobicContact CB-CE2 3.82Å; K28-Y90 HydrophobicContact CD-CD2 4.48Å; K28-Y90 HydrophobicContact CD-CE1 4.22Å; K28-Y90 HydrophobicContact CD-CE2 3.91Å; K28-Y90 HydrophobicContact CG-CD2 3.89Å; K28-Y90 HydrophobicContact CG-CE2 3.75Å; K28-Y90 HydrophobicContact CG-CG 4.34Å
29A97.3Very high90.4Very high0 Ų047.8 Ų47.80%026%0.257CS..EExtended strand (participates in β ladder)trans-139.5164.8-175.400000110.9I12 E13 I37 F38 L40I12-A29 HydrophobicContact CG2-CB 3.86Å; E13-A29 CarbonylContact O-C 3.56Å; E13-A29 WeakPolarHBondContact O-CA 3.34Å; E13-A29 WeakPolarHBondContact O-CB 3.44Å; A29-I37 WeakPolarHBondContact O-CA 3.14Å; A29-F38 HydrophobicContact CB-CD2 3.81Å; A29-F38 HydrophobicContact CB-CE2 3.35Å; A29-F38 HydrophobicContact CB-CZ 3.88Å; A29-F38 PolarHBondContact N-O 2.64Å; A29-F38 PolarHBondContact O-N 3.17Å; A29-L40 HydrophobicContact CB-CB 4.27Å
30R96.5Very high90.8Very high99 Ų9946.5 Ų46.537%0.37424%0.243SC..EExtended strand (participates in β ladder)trans-126.3140.8179.8-174.5-173.4-66164.8-5.4109.8E13 L15 K32 T36 I37 F38E13-R30 HydrophobicContact CB-CB 4.33Å; E13-R30 PolarHBondContact N-O 2.97Å; E13-R30 PolarHBondContact O-N 3.15Å; E13-R30 WeakPolarHBondContact OE2-CD 3.35Å; E13-R30 IonicContact OE2-NE 2.72Å; E13-R30 IonicContact OE2-NH1 2.91Å; L15-R30 HydrophobicContact CD1-CB 4.14Å; L15-R30 HydrophobicContact CD2-CB 4.43Å; L15-R30 HydrophobicContact CG-CB 4.35Å; R30-K32 PolarHBondContact O-N 2.98Å; R30-T36 WeakPolarHBondContact CA-O 3.14Å; R30-I37 HydrophobicContact CB-CD1 3.94Å; R30-I37 HydrophobicContact CG-CD1 4.03Å; R30-F38 VanDerWaalsContact C-CE1 3.49Å
31S94.5Very high91.3Very high0 Ų041.5 Ų41.50%022%0.22CC..EExtended strand (participates in β ladder)trans-75.4122.1167.3177.70000108.7M7 I33 T34 G35 T36M7-S31 PolarHBondContact SD-OG 2.93Å; S31-I33 PolarHBondContact O-N 3.23Å; S31-I33 PolarHBondContact OG-N 3.01Å; S31-T34 VanDerWaalsContact CB-OG1 3.27Å; S31-T34 WeakPolarHBondContact CB-OG1 3.45Å; S31-T34 PolarHBondContact OG-N 3.2Å; S31-T34 PolarHBondContact OG-OG1 3.14Å; S31-G35 VanDerWaalsContact O-CA 3.25Å; S31-G35 WeakPolarHBondContact O-CA 3.45Å; S31-G35 PolarHBondContact O-N 3.07Å; S31-T36 PolarHBondContact N-O 3.16Å
32K94.1Very high92.1Very high132 Ų13242.8 Ų42.857%0.57422%0.222SC*.THydrogen-bonded Turntrans-62.7-26.1172.8-66.2176-172.3166.60112.2S10 D11 I12 E13 R30S10-K32 PolarHBondContact O-NZ 3.34Å; D11-K32 WeakPolarHBondContact O-CB 3.43Å; D11-K32 WeakPolarHBondContact O-CG 3.28Å; D11-K32 PolarHBondContact O-N 3.41Å; I12-K32 WeakPolarHBondContact O-CE 3.45Å; E13-K32 HydrophobicContact CB-CG 4.18Å; R30-K32 PolarHBondContact O-N 2.98Å
33I89.4Confident92.7Very high97 Ų9739.4 Ų39.450%0.49720%0.201SC..THydrogen-bonded Turntrans-80.1-50.4-179.3-58.2173.4000110.9D11 S31D11-I33 HydrophobicContact CB-CD1 4.06Å; D11-I33 HydrophobicContact CB-CG1 4.29Å; D11-I33 WeakPolarHBondContact OD2-CD1 3.3Å; S31-I33 PolarHBondContact O-N 3.23Å; S31-I33 PolarHBondContact OG-N 3.01Å
34T90.3Very high92.6Very high60 Ų6043.2 Ų43.237%0.36822%0.219SC..THydrogen-bonded Turntrans-106.1-9.3-169.668.50000114.4S31 T36S31-T34 VanDerWaalsContact CB-OG1 3.27Å; S31-T34 WeakPolarHBondContact CB-OG1 3.45Å; S31-T34 PolarHBondContact OG-N 3.2Å; S31-T34 PolarHBondContact OG-OG1 3.14Å; T34-T36 PolarHBondContact O-N 3.15Å; T34-T36 VanDerWaalsContact O-N 3.15Å; T34-T36 VanDerWaalsContact OG1-CB 3.29Å; T34-T36 WeakPolarHBondContact OG1-CB 3.18Å; T34-T36 PolarHBondContact OG1-N 3.45Å; T34-T36 PolarHBondContact OG1-OG1 3.45Å
35G91.9Very high91.9Very high45 Ų4546 Ų4646%0.46424%0.238SC..  trans68.42.1-171.400000114.4S31 I37S31-G35 VanDerWaalsContact O-CA 3.25Å; S31-G35 WeakPolarHBondContact O-CA 3.45Å; S31-G35 PolarHBondContact O-N 3.07Å; G35-I37 PolarHBondContact O-N 3.43Å
36T92.3Very high90.5Very high56 Ų5649.5 Ų49.534%0.34426%0.255SS..  trans-69131.7-176.4-53.10000110.9M4 R30 S31 T34 F38M4-T36 HydrophobicContact CE-CG2 3.78Å; M4-T36 HydrophobicContact SD-CG2 4.41Å; R30-T36 WeakPolarHBondContact CA-O 3.14Å; S31-T36 PolarHBondContact N-O 3.16Å; T34-T36 PolarHBondContact O-N 3.15Å; T34-T36 VanDerWaalsContact O-N 3.15Å; T34-T36 VanDerWaalsContact OG1-CB 3.29Å; T34-T36 WeakPolarHBondContact OG1-CB 3.18Å; T34-T36 PolarHBondContact OG1-N 3.45Å; T34-T36 PolarHBondContact OG1-OG1 3.45Å; T36-F38 WeakPolarHBondContact O-CD1 3.25Å
37I95.7Very high88.7Confident59 Ų5955.5 Ų55.530%0.30329%0.288SS..EExtended strand (participates in β ladder)trans-83.8136.7173.7-57.4-63.1000110L15 K28 A29 R30 G35 Y90L15-I37 HydrophobicContact CD1-CD1 3.69Å; K28-I37 HydrophobicContact CD-CG2 4.46Å; K28-I37 HydrophobicContact CG-CG2 3.85Å; A29-I37 WeakPolarHBondContact O-CA 3.14Å; R30-I37 HydrophobicContact CB-CD1 3.94Å; R30-I37 HydrophobicContact CG-CD1 4.03Å; G35-I37 PolarHBondContact O-N 3.43Å; I37-Y90 HydrophobicContact CG2-CD1 3.89Å; I37-Y90 HydrophobicContact CG2-CG 3.94Å
38F95.6Very high87Confident0 Ų062.1 Ų62.10%032%0.317CS..EExtended strand (participates in β ladder)trans-147.9163.9179.254.2-101000111.9M4 M7 I12 A29 R30 T36 L40 M75 I87 F88M4-F38 HydrophobicContact CE-CB 4.4Å; M4-F38 HydrophobicContact CE-CD1 3.65Å; M4-F38 HydrophobicContact CE-CE1 4.28Å; M4-F38 HydrophobicContact CE-CG 4.35Å; M7-F38 HydrophobicContact CE-CE1 3.96Å; M7-F38 HydrophobicContact CE-CZ 3.94Å; M7-F38 HydrophobicContact SD-CE1 4.02Å; M7-F38 HydrophobicContact SD-CZ 4.24Å; I12-F38 HydrophobicContact CB-CZ 4.48Å; I12-F38 HydrophobicContact CD1-CE2 4.36Å; I12-F38 HydrophobicContact CD1-CZ 4.33Å; I12-F38 HydrophobicContact CG1-CZ 4.03Å; I12-F38 HydrophobicContact CG2-CE2 4.15Å; I12-F38 HydrophobicContact CG2-CZ 4.02Å; A29-F38 HydrophobicContact CB-CD2 3.81Å; A29-F38 HydrophobicContact CB-CE2 3.35Å; A29-F38 HydrophobicContact CB-CZ 3.88Å; A29-F38 PolarHBondContact N-O 2.64Å; A29-F38 PolarHBondContact O-N 3.17Å; R30-F38 VanDerWaalsContact C-CE1 3.49Å; T36-F38 WeakPolarHBondContact O-CD1 3.25Å; F38-L40 HydrophobicContact CD2-CB 4.35Å; F38-L40 HydrophobicContact CE2-CB 4.22Å; F38-M75 HydrophobicContact CB-SD 4Å; F38-I87 HydrophobicContact CB-CG2 3.79Å; F38-I87 HydrophobicContact CD1-CG2 4.42Å; F38-I87 HydrophobicContact CD2-CG2 3.54Å; F38-I87 HydrophobicContact CE2-CD1 4.14Å; F38-I87 HydrophobicContact CE2-CG1 4.47Å; F38-I87 HydrophobicContact CE2-CG2 4.15Å; F38-I87 HydrophobicContact CG-CG2 3.69Å; F38-I87 HydrophobicContact CZ-CD1 4.48Å; F38-F88 VanDerWaalsContact CB-O 3.29Å; F38-F88 WeakPolarHBondContact CB-O 3.48Å
39A95.5Very high85.3Confident10 Ų1065.7 Ų65.78%0.08334%0.339CS..EExtended strand (participates in β ladder)trans-95.3127.4169.900000109.3I18 Y27 I87 F88 Y90I18-A39 HydrophobicContact CD1-CB 4.26Å; Y27-A39 CarbonylContact O-C 3.14Å; Y27-A39 WeakPolarHBondContact O-CA 3.4Å; A39-I87 WeakPolarHBondContact O-CA 3.27Å; A39-F88 HydrophobicContact CB-CB 4.36Å; A39-F88 PolarHBondContact N-O 3.33Å; A39-F88 PolarHBondContact O-N 3.05Å; A39-Y90 HydrophobicContact CB-CD2 4.34Å
40L95.5Very high84Confident0 Ų067.5 Ų67.50%036%0.358CS..EExtended strand (participates in β ladder)trans-110.2113.4177.2171.467.3000109.2I12 K14 I26 Y27 A29 F38 F83 I87I12-L40 HydrophobicContact CD1-CD1 4.41Å; I12-L40 HydrophobicContact CD1-CD2 4.33Å; I12-L40 HydrophobicContact CG2-CD2 4.07Å; K14-L40 HydrophobicContact CG-CD2 4.42Å; I26-L40 CarbonylContact C-O 3.54Å; I26-L40 VanDerWaalsContact CA-O 3.3Å; I26-L40 WeakPolarHBondContact CA-O 3.23Å; Y27-L40 PolarHBondContact N-O 3.19Å; Y27-L40 PolarHBondContact O-N 3.46Å; A29-L40 HydrophobicContact CB-CB 4.27Å; F38-L40 HydrophobicContact CD2-CB 4.35Å; F38-L40 HydrophobicContact CE2-CB 4.22Å; L40-F83 HydrophobicContact CD1-CZ 3.95Å; L40-F83 HydrophobicContact CD2-CE2 4.43Å; L40-F83 HydrophobicContact CD2-CZ 3.96Å; L40-I87 HydrophobicContact CD1-CG1 3.98Å
41K93.5Very high83Confident8 Ų864.4 Ų64.44%0.03535%0.348CS..EExtended strand (participates in β ladder)trans-89105165.3-177.9-173-82.4-179.10107.9I26 L43 E58 G85 I86 F88 T156I26-K41 HydrophobicContact CG1-CB 4.3Å; I26-K41 HydrophobicContact CG1-CG 4.21Å; K41-L43 HydrophobicContact CD-CD2 4.41Å; K41-L43 HydrophobicContact CG-CD2 4.42Å; K41-E58 VanDerWaalsContact NZ-CD 3.33Å; K41-E58 IonicContact NZ-OE1 2.81Å; K41-E58 PolarHBondContact NZ-OE1 2.9Å; K41-E58 IonicContact NZ-OE2 2.61Å; K41-E58 PolarHBondContact NZ-OE2 2.81Å; K41-G85 CarbonylContact O-C 3.52Å; K41-G85 VanDerWaalsContact O-CA 3.29Å; K41-G85 WeakPolarHBondContact O-CA 3.4Å; K41-I86 HydrophobicContact CB-CB 4.42Å; K41-I86 PolarHBondContact N-O 2.91Å; K41-I86 PolarHBondContact O-N 3.42Å; K41-F88 HydrophobicContact CB-CE2 3.94Å; K41-T156 PolarHBondContact NZ-OG1 3.49Å
42E92.3Very high82.1Confident42 Ų4265.7 Ų65.720%0.19636%0.357CS..EExtended strand (participates in β ladder)trans-79.5132.1176.4-173.7167.9-149.500109.4K14 G24 P25 Y27 F83K14-E42 IonicContact NZ-OE1 3.94Å; K14-E42 PolarHBondContact NZ-OE1 2.93Å; K14-E42 IonicContact NZ-OE2 2.64Å; K14-E42 PolarHBondContact NZ-OE2 3.14Å; G24-E42 CarbonylContact C-O 3.23Å; G24-E42 VanDerWaalsContact CA-O 3.28Å; G24-E42 WeakPolarHBondContact CA-O 3.25Å; P25-E42 HydrophobicContact CG-CB 4.32Å; P25-E42 PolarHBondContact O-N 3.35Å; Y27-E42 HydrophobicContact CE2-CB 4.38Å; Y27-E42 VanDerWaalsContact CE2-OE2 3.22Å; Y27-E42 WeakPolarHBondContact CE2-OE2 3.3Å; E42-F83 HydrophobicContact CG-CE2 4.02Å; E42-F83 WeakPolarHBondContact OE1-CE2 3.43Å
43L88Confident81.3Confident8 Ų863.6 Ų63.64%0.04236%0.356CS..EExtended strand (participates in β ladder)trans-97.9122.3-177.5-55.5178.2000108.4K41 C45 I51 A55 A84 I86K41-L43 HydrophobicContact CD-CD2 4.41Å; K41-L43 HydrophobicContact CG-CD2 4.42Å; L43-C45 PolarHBondContact O-N 2.74Å; L43-I51 HydrophobicContact CD1-CG2 4.04Å; L43-A55 HydrophobicContact CD1-CB 3.78Å; L43-A55 HydrophobicContact CD2-CB 3.87Å; L43-A55 HydrophobicContact CG-CB 4.45Å; L43-A84 HydrophobicContact CB-CB 3.99Å; L43-A84 WeakPolarHBondContact CB-O 3.47Å; L43-A84 HydrophobicContact CD1-CB 4.14Å; L43-A84 HydrophobicContact CG-CB 4.49Å; L43-A84 PolarHBondContact N-O 2.86Å; L43-I86 HydrophobicContact CD1-CD1 4.31Å; L43-I86 HydrophobicContact CD1-CG1 4.06Å; L43-I86 HydrophobicContact CD2-CD1 4.14Å; L43-I86 HydrophobicContact CD2-CG1 4.3Å; L43-I86 HydrophobicContact CG-CG1 4.36Å
44K79.6Confident80.8Confident136 Ų13659.2 Ų59.259%0.59134%0.335SS*.  trans-64.7106.1169.5-68.9-179.9-178.1172.90108.3E20 Y23E20-K44 IonicContact OE1-NZ 3.73Å; Y23-K44 WeakPolarHBondContact O-CB 3.49Å; Y23-K44 PolarHBondContact O-N 2.9Å
45C68.2Low80.3Confident60 Ų6056.4 Ų56.441%0.40532%0.318SS..  trans-86.6128.5165.5-68.60000107.8L43 A84L43-C45 PolarHBondContact O-N 2.74Å; C45-A84 VanDerWaalsContact SG-CB 3.52Å
46D62.7Low79.9Confident86 Ų8658.2 Ų58.246%0.4632%0.316SS..BIsolated β-bridgetrans-102.7126.8168.5179.612.3000106.3K48 N49 G50D46-K48 PolarHBondContact O-N 3.18Å; D46-N49 HydrophobicContact CB-CB 4.43Å; D46-N49 PolarHBondContact O-N 3.23Å; D46-N49 PolarHBondContact OD2-ND2 3.48Å; D46-G50 PolarHBondContact O-N 3.46Å
47D56.9Low79.6Confident167 Ų16760.2 Ų60.289%0.89332%0.317SS*.THydrogen-bonded Turntrans-52.7-25.1-172.6-64.2-25.3000112.7
48K61Low79.3Confident187 Ų18757.4 Ų57.481%0.81330%0.303SS*.THydrogen-bonded Turntrans-85.6-25.7178.9-68.9-178.9-179.9178.40114.8D46D46-K48 PolarHBondContact O-N 3.18Å
49N61.2Low78.9Confident128 Ų12858 Ų5868%0.68431%0.306SS*.THydrogen-bonded Turntrans-120.1-12.4-166.4-67-54000113.9D46D46-N49 HydrophobicContact CB-CB 4.43Å; D46-N49 PolarHBondContact O-N 3.23Å; D46-N49 PolarHBondContact OD2-ND2 3.48Å
50G69.8Low78.5Confident38 Ų3860.2 Ų60.239%0.39232%0.32SS..BIsolated β-bridgetrans65.5-154.9-178.500000113.1D46D46-G50 PolarHBondContact O-N 3.46Å
51I74.8Confident78.3Confident33 Ų3360.7 Ų60.717%0.16932%0.322CS..SBendtrans-72.2131-179.4-62173.8000109.9L43 A55 I56 I79 A84L43-I51 HydrophobicContact CD1-CG2 4.04Å; I51-A55 HydrophobicContact CG2-CB 4.04Å; I51-I56 HydrophobicContact CB-CD1 4.4Å; I51-I56 HydrophobicContact CB-CG1 4.37Å; I51-I56 HydrophobicContact CG2-CD1 4.37Å; I51-I56 HydrophobicContact CG2-CG1 3.81Å; I51-I79 HydrophobicContact CD1-CB 4.24Å; I51-I79 HydrophobicContact CD1-CD1 3.56Å; I51-I79 HydrophobicContact CD1-CG1 3.64Å; I51-I79 HydrophobicContact CD1-CG2 3.62Å; I51-A84 HydrophobicContact CD1-CB 4.01Å; I51-A84 HydrophobicContact CG1-CB 4.09Å
52P75.4Confident78.1Confident27 Ų2760.4 Ų60.418%0.17532%0.321CS..  trans-52.6129177-28.335.1000112.2Y23 A54 A55 I56Y23-P52 HydrophobicContact CD1-CB 4.01Å; Y23-P52 HydrophobicContact CD1-CG 4.1Å; Y23-P52 HydrophobicContact CE1-CB 4.29Å; Y23-P52 HydrophobicContact CG-CB 4.19Å; Y23-P52 HydrophobicContact CG-CG 4.21Å; P52-A54 PolarHBondContact O-N 3.38Å; P52-A55 HydrophobicContact CB-CB 4.35Å; P52-A55 WeakPolarHBondContact O-CB 3.48Å; P52-A55 PolarHBondContact O-N 2.92Å; P52-I56 PolarHBondContact O-N 2.98Å
53P77.6Confident77.7Confident88 Ų8863.3 Ų63.357%0.57134%0.335SS*.Hα-helixtrans-56.1-26.1-179.9-29.335000114R57P53-R57 WeakPolarHBondContact O-CG 3.41Å; P53-R57 PolarHBondContact O-N 3.43Å; P53-R57 PolarHBondContact O-NH1 3.21Å
54A78.4Confident77.5Confident6 Ų666.2 Ų66.25%0.0535%0.348CS..Hα-helixtrans-70.5-35.7174.500000113.6Y23 P52 R57 E58Y23-A54 HydrophobicContact CE1-CB 4.4Å; Y23-A54 HydrophobicContact CE2-CB 3.42Å; Y23-A54 VanDerWaalsContact CE2-CB 3.42Å; Y23-A54 WeakPolarHBondContact OH-CB 3.3Å; P52-A54 PolarHBondContact O-N 3.38Å; A54-R57 VanDerWaalsContact CA-NH2 3.31Å; A54-R57 VanDerWaalsContact CB-NH2 3.29Å; A54-R57 PolarHBondContact O-N 3.08Å; A54-E58 WeakPolarHBondContact O-CB 3.44Å; A54-E58 PolarHBondContact O-N 3.46Å
55A81.1Confident77.8Confident0 Ų059.8 Ų59.80%032%0.321CS..Hα-helixtrans-66.9-41.7174.100000110.7Y23 L43 I51 P52 R57 E58 I59Y23-A55 HydrophobicContact CD2-CB 4.32Å; L43-A55 HydrophobicContact CD1-CB 3.78Å; L43-A55 HydrophobicContact CD2-CB 3.87Å; L43-A55 HydrophobicContact CG-CB 4.45Å; I51-A55 HydrophobicContact CG2-CB 4.04Å; P52-A55 HydrophobicContact CB-CB 4.35Å; P52-A55 WeakPolarHBondContact O-CB 3.48Å; P52-A55 PolarHBondContact O-N 2.92Å; A55-R57 VanDerWaalsContact C-N 3.34Å; A55-R57 PolarHBondContact O-N 3.09Å; A55-E58 WeakPolarHBondContact O-CB 3.38Å; A55-E58 PolarHBondContact O-N 3.16Å; A55-I59 WeakPolarHBondContact O-CG1 3.45Å; A55-I59 PolarHBondContact O-N 3.14Å
56I82.4Confident78.2Confident83 Ų8360.3 Ų60.343%0.42632%0.319SS..Hα-helixtrans-59.5-45.4173.5-58.5177.9000110.6I51 P52 E58 I59 C60I51-I56 HydrophobicContact CB-CD1 4.4Å; I51-I56 HydrophobicContact CB-CG1 4.37Å; I51-I56 HydrophobicContact CG2-CD1 4.37Å; I51-I56 HydrophobicContact CG2-CG1 3.81Å; P52-I56 PolarHBondContact O-N 2.98Å; I56-E58 PolarHBondContact O-N 3.43Å; I56-I59 PolarHBondContact O-N 3.43Å; I56-C60 PolarHBondContact O-N 3.46Å; I56-C60 PolarHBondContact O-SG 3.45Å
57R86.9Confident78.5Confident98 Ų9861.5 Ų61.537%0.3732%0.321SS..Hα-helixtrans-60.9-42.8175.1-76.3-170.1-54.1-89.43.9112.8P53 A54 A55 I59 C60 I61P53-R57 WeakPolarHBondContact O-CG 3.41Å; P53-R57 PolarHBondContact O-N 3.43Å; P53-R57 PolarHBondContact O-NH1 3.21Å; A54-R57 VanDerWaalsContact CA-NH2 3.31Å; A54-R57 VanDerWaalsContact CB-NH2 3.29Å; A54-R57 PolarHBondContact O-N 3.08Å; A55-R57 VanDerWaalsContact C-N 3.34Å; A55-R57 PolarHBondContact O-N 3.09Å; R57-I59 VanDerWaalsContact C-N 3.34Å; R57-C60 PolarHBondContact O-N 2.98Å; R57-I61 WeakPolarHBondContact O-CB 3.39Å; R57-I61 WeakPolarHBondContact O-CG1 3.37Å; R57-I61 PolarHBondContact O-N 3.45Å
58E88.9Confident79.8Confident1 Ų154.9 Ų54.91%0.00529%0.285CS..Hα-helixtrans-57.8-48.3176.8-174.8176.4-163.300110K41 A54 A55 I56 C60 I61 L62 F155 T156K41-E58 VanDerWaalsContact NZ-CD 3.33Å; K41-E58 IonicContact NZ-OE1 2.81Å; K41-E58 PolarHBondContact NZ-OE1 2.9Å; K41-E58 IonicContact NZ-OE2 2.61Å; K41-E58 PolarHBondContact NZ-OE2 2.81Å; A54-E58 WeakPolarHBondContact O-CB 3.44Å; A54-E58 PolarHBondContact O-N 3.46Å; A55-E58 WeakPolarHBondContact O-CB 3.38Å; A55-E58 PolarHBondContact O-N 3.16Å; I56-E58 PolarHBondContact O-N 3.43Å; E58-C60 PolarHBondContact O-N 3.27Å; E58-I61 PolarHBondContact O-N 3.48Å; E58-L62 HydrophobicContact CG-CD1 3.82Å; E58-L62 HydrophobicContact CG-CG 4.45Å; E58-L62 WeakPolarHBondContact O-CB 3.42Å; E58-L62 WeakPolarHBondContact O-CD1 3.44Å; E58-L62 VanDerWaalsContact O-CG 3.26Å; E58-L62 WeakPolarHBondContact O-CG 3.44Å; E58-L62 PolarHBondContact O-N 3.31Å; E58-F155 HydrophobicContact CG-CB 4.02Å; E58-F155 PolarHBondContact OE1-N 3.42Å; E58-T156 PolarHBondContact OE1-N 3.15Å; E58-T156 PolarHBondContact OE2-OG1 3.12Å
59I87.1Confident81Confident12 Ų1248.3 Ų48.36%0.06226%0.259CS..Hα-helixtrans-57.5-49.7175.9-64.8164000111A55 I56 R57 I61 L62 Q63 F74 I86A55-I59 WeakPolarHBondContact O-CG1 3.45Å; A55-I59 PolarHBondContact O-N 3.14Å; I56-I59 PolarHBondContact O-N 3.43Å; R57-I59 VanDerWaalsContact C-N 3.34Å; I59-I61 VanDerWaalsContact C-N 3.31Å; I59-I61 PolarHBondContact O-N 2.92Å; I59-L62 PolarHBondContact O-N 3.05Å; I59-Q63 HydrophobicContact CG2-CG 4.48Å; I59-Q63 WeakPolarHBondContact O-CB 3.49Å; I59-Q63 WeakPolarHBondContact O-CG 3.39Å; I59-Q63 PolarHBondContact O-N 3.49Å; I59-F74 HydrophobicContact CG2-CE2 4.5Å; I59-F74 HydrophobicContact CG2-CZ 4.12Å; I59-I86 HydrophobicContact CD1-CD1 4.07Å; I59-I86 HydrophobicContact CD1-CG1 4.07Å; I59-I86 HydrophobicContact CG1-CD1 3.67Å; I59-I86 HydrophobicContact CG1-CG1 3.97Å
60C87.6Confident82.5Confident57 Ų5742.8 Ų42.839%0.38523%0.229SC..Hα-helixtrans-64-33.8-179.9-66.40000113.4I56 R57 E58 Q64I56-C60 PolarHBondContact O-N 3.46Å; I56-C60 PolarHBondContact O-SG 3.45Å; R57-C60 PolarHBondContact O-N 2.98Å; E58-C60 PolarHBondContact O-N 3.27Å; C60-Q64 PolarHBondContact O-NE2 3.34Å
61I90.2Very high83.6Confident9 Ų941.2 Ų41.25%0.04621%0.212CC..Hα-helixtrans-69.3-49.3175.3-76173.8000109.7R57 E58 I59 Q63 Q64 L65 I132 F155 A158R57-I61 WeakPolarHBondContact O-CB 3.39Å; R57-I61 WeakPolarHBondContact O-CG1 3.37Å; R57-I61 PolarHBondContact O-N 3.45Å; E58-I61 PolarHBondContact O-N 3.48Å; I59-I61 VanDerWaalsContact C-N 3.31Å; I59-I61 PolarHBondContact O-N 2.92Å; I61-Q63 VanDerWaalsContact C-N 3.26Å; I61-Q63 PolarHBondContact O-N 2.82Å; I61-Q64 WeakPolarHBondContact O-CB 3.39Å; I61-Q64 PolarHBondContact O-N 3.26Å; I61-L65 HydrophobicContact CG2-CD1 3.81Å; I61-L65 HydrophobicContact CG2-CG 4.48Å; I61-L65 WeakPolarHBondContact O-CG 3.39Å; I61-L65 PolarHBondContact O-N 3.11Å; I61-I132 HydrophobicContact CG2-CD1 4.21Å; I61-I132 HydrophobicContact CG2-CG2 3.84Å; I61-F155 HydrophobicContact CG2-CB 4.33Å; I61-F155 HydrophobicContact CG2-CD1 3.88Å; I61-F155 HydrophobicContact CG2-CG 4.38Å; I61-A158 VanDerWaalsContact CD1-C 3.49Å; I61-A158 HydrophobicContact CD1-CB 3.76Å; I61-A158 VanDerWaalsContact CD1-O 3.28Å; I61-A158 WeakPolarHBondContact CD1-O 3.43Å; I61-A158 HydrophobicContact CG2-CB 4.3Å
62L89Confident84.4Confident3 Ų340.3 Ų40.32%0.01621%0.207CC..Hα-helixtrans-59.3-38.6179.6-73164.8000112E58 I59 Q64 L65 I66 F74 F88 F155E58-L62 HydrophobicContact CG-CD1 3.82Å; E58-L62 HydrophobicContact CG-CG 4.45Å; E58-L62 WeakPolarHBondContact O-CB 3.42Å; E58-L62 WeakPolarHBondContact O-CD1 3.44Å; E58-L62 VanDerWaalsContact O-CG 3.26Å; E58-L62 WeakPolarHBondContact O-CG 3.44Å; E58-L62 PolarHBondContact O-N 3.31Å; I59-L62 PolarHBondContact O-N 3.05Å; L62-Q64 PolarHBondContact O-N 3.17Å; L62-L65 CarbonylContact O-C 3.48Å; L62-L65 PolarHBondContact O-N 2.94Å; L62-I66 WeakPolarHBondContact O-CG1 3.47Å; L62-I66 PolarHBondContact O-N 3.29Å; L62-I66 VanDerWaalsContact O-N 3.13Å; L62-F74 HydrophobicContact CB-CB 3.91Å; L62-F74 HydrophobicContact CB-CD2 4.35Å; L62-F74 HydrophobicContact CB-CG 4.02Å; L62-F74 HydrophobicContact CD1-CB 4.48Å; L62-F74 HydrophobicContact CD1-CD2 4.17Å; L62-F74 HydrophobicContact CD2-CB 4.48Å; L62-F88 HydrophobicContact CD1-CE1 3.49Å; L62-F88 VanDerWaalsContact CD1-CE1 3.49Å; L62-F88 HydrophobicContact CD1-CZ 3.96Å; L62-F88 HydrophobicContact CD2-CE1 4.35Å; L62-F155 HydrophobicContact CD2-CB 4.37Å; L62-F155 HydrophobicContact CD2-CD2 3.64Å; L62-F155 HydrophobicContact CD2-CE2 4.18Å; L62-F155 HydrophobicContact CD2-CG 4.13Å; L62-F155 HydrophobicContact CG-CB 4.44Å
63Q85Confident85.2Confident102 Ų10244.6 Ų44.648%0.47722%0.22SC..Hα-helixtrans-60.7-24.9174.2-76.7175.6-18.100114I59 I61 I66 F74I59-Q63 HydrophobicContact CG2-CG 4.48Å; I59-Q63 WeakPolarHBondContact O-CB 3.49Å; I59-Q63 WeakPolarHBondContact O-CG 3.39Å; I59-Q63 PolarHBondContact O-N 3.49Å; I61-Q63 VanDerWaalsContact C-N 3.26Å; I61-Q63 PolarHBondContact O-N 2.82Å; Q63-I66 WeakPolarHBondContact O-CG1 3.3Å; Q63-F74 HydrophobicContact CG-CD1 4.31Å; Q63-F74 HydrophobicContact CG-CE1 3.77Å; Q63-F74 HydrophobicContact CG-CZ 4.45Å
64Q84.1Confident85.8Confident69 Ų6941.2 Ų41.232%0.32220%0.196SC..Hα-helixtrans-87.9-11.6175.3-68.3168.473.200113.2C60 I61 L62 R130 I132C60-Q64 PolarHBondContact O-NE2 3.34Å; I61-Q64 WeakPolarHBondContact O-CB 3.39Å; I61-Q64 PolarHBondContact O-N 3.26Å; L62-Q64 PolarHBondContact O-N 3.17Å; Q64-R130 WeakPolarHBondContact O-CD 3.48Å; Q64-R130 PolarHBondContact O-NE 3.21Å; Q64-I132 HydrophobicContact CB-CD1 4.16Å
65L85.3Confident86.3Confident2 Ų243.5 Ų43.51%0.0121%0.207CC..SBendtrans-111.15.2-176.7-60.4177.1000113.1I61 L62 V71 F126 I132 F155I61-L65 HydrophobicContact CG2-CD1 3.81Å; I61-L65 HydrophobicContact CG2-CG 4.48Å; I61-L65 WeakPolarHBondContact O-CG 3.39Å; I61-L65 PolarHBondContact O-N 3.11Å; L62-L65 CarbonylContact O-C 3.48Å; L62-L65 PolarHBondContact O-N 2.94Å; L65-V71 HydrophobicContact CB-CG1 3.98Å; L65-V71 HydrophobicContact CB-CG2 4.45Å; L65-V71 HydrophobicContact CD1-CG1 4.32Å; L65-F126 HydrophobicContact CB-CE1 4.31Å; L65-F126 HydrophobicContact CD2-CD1 3.94Å; L65-F126 HydrophobicContact CD2-CE1 3.63Å; L65-I132 HydrophobicContact CD1-CD1 4.28Å; L65-I132 HydrophobicContact CD1-CG2 4.36Å; L65-I132 HydrophobicContact CD2-CD1 3.61Å; L65-I132 HydrophobicContact CG-CD1 3.85Å; L65-F155 HydrophobicContact CD1-CD1 3.82Å; L65-F155 HydrophobicContact CD1-CE1 3.32Å; L65-F155 HydrophobicContact CD1-CZ 3.73Å
66I76.5Confident86.6Confident71 Ų7145.5 Ų45.536%0.36422%0.215SC..THydrogen-bonded Turntrans-53.8143.7176-50.8177.3000108.3L62 Q63 H68 F74L62-I66 WeakPolarHBondContact O-CG1 3.47Å; L62-I66 PolarHBondContact O-N 3.29Å; L62-I66 VanDerWaalsContact O-N 3.13Å; Q63-I66 WeakPolarHBondContact O-CG1 3.3Å; I66-H68 PolarHBondContact O-N 3.44Å; I66-F74 HydrophobicContact CD1-CD1 4.37Å
67E70.3Confident87Confident110 Ų11043.2 Ų43.251%0.51421%0.207SC..THydrogen-bonded Turntrans81.3-7.3172.2-61.2155.8-159.700117N69E67-N69 PolarHBondContact O-N 2.98Å
68H83.4Confident87.1Confident28 Ų2838.9 Ų38.913%0.1319%0.191CC..  trans-78.3127.9172.4-164.4-90000111.7I66 N70 V71 F126I66-H68 PolarHBondContact O-N 3.44Å; H68-N70 PolarHBondContact CE1-OD1 3.24Å; H68-N70 VanDerWaalsContact CE1-OD1 3.31Å; H68-N70 PolarHBondContact ND1-N 3.46Å; H68-N70 VanDerWaalsContact ND1-N 3.16Å; H68-N70 PolarHBondContact O-N 3.41Å; H68-N70 VanDerWaalsContact O-N 3.16Å; H68-V71 HydrophobicContact CB-CB 4.39Å; H68-V71 HydrophobicContact CB-CG2 4.11Å; H68-V71 PolarHBondContact O-N 2.91Å; H68-F126 HydrophobicContact CB-CD1 3.66Å; H68-F126 HydrophobicContact CB-CD2 4.3Å; H68-F126 HydrophobicContact CB-CE1 3.44Å; H68-F126 VanDerWaalsContact CB-CE1 3.44Å; H68-F126 HydrophobicContact CB-CE2 4.07Å; H68-F126 HydrophobicContact CB-CG 4.08Å; H68-F126 HydrophobicContact CB-CZ 3.66Å; H68-F126 AromaticContact CD2-CD1 3.76Å; H68-F126 AromaticContact CD2-CD2 3.22Å; H68-F126 WeakPolarHBondContact CD2-CD2 3.04Å; H68-F126 AromaticContact CD2-CE2 3.68Å; H68-F126 AromaticContact CD2-CG 3.24Å; H68-F126 WeakPolarHBondContact CD2-CG 3.49Å; H68-F126 AromaticContact CG-CD1 3.61Å; H68-F126 AromaticContact CG-CD2 3.92Å; H68-F126 AromaticContact CG-CE1 3.92Å; H68-F126 AromaticContact CG-CG 3.6Å; H68-F126 AromaticContact NE2-CD2 3.97Å; H68-F126 AromaticContact NE2-CG 3.79Å
69N86.1Confident86.9Confident50 Ų5043.9 Ų43.927%0.26722%0.216SC..THydrogen-bonded Turntrans-69-19-173.4-84.9-96.2000114.6E67 V149 K151 E455E67-N69 PolarHBondContact O-N 2.98Å; N69-V149 WeakPolarHBondContact O-CG1 3.49Å; N69-K151 WeakPolarHBondContact O-CG 3.48Å; N69-E455 VanDerWaalsContact CB-CD 3.46Å; N69-E455 VanDerWaalsContact CB-OE1 3.26Å; N69-E455 WeakPolarHBondContact CB-OE1 3.33Å; N69-E455 WeakPolarHBondContact CB-OE2 3.49Å; N69-E455 WeakPolarHBondContact ND2-CG 3.46Å; N69-E455 PolarHBondContact ND2-OE1 3.18Å; N69-E455 PolarHBondContact ND2-OE2 2.89Å; N69-E455 VanDerWaalsContact ND2-OE2 3.12Å
70N91.8Very high86.8Confident11 Ų1146.4 Ų46.46%0.05923%0.228CC..THydrogen-bonded Turntrans-93.914.4172.2-52.1116000114.7H68 Q119 V149 I150 F152H68-N70 PolarHBondContact CE1-OD1 3.24Å; H68-N70 VanDerWaalsContact CE1-OD1 3.31Å; H68-N70 PolarHBondContact ND1-N 3.46Å; H68-N70 VanDerWaalsContact ND1-N 3.16Å; H68-N70 PolarHBondContact O-N 3.41Å; H68-N70 VanDerWaalsContact O-N 3.16Å; N70-Q119 WeakPolarHBondContact ND2-CB 3.38Å; N70-Q119 PolarHBondContact OD1-O 3.46Å; N70-V149 WeakPolarHBondContact ND2-CG1 3.25Å; N70-I150 VanDerWaalsContact CA-O 3.26Å; N70-I150 WeakPolarHBondContact CA-O 3.44Å; N70-I150 WeakPolarHBondContact CB-O 3.46Å; N70-I150 PolarHBondContact ND2-O 3.05Å; N70-F152 WeakPolarHBondContact O-CB 3.41Å; N70-F152 WeakPolarHBondContact O-CD1 3.17Å; N70-F152 WeakPolarHBondContact O-CG 3.28Å; N70-F152 PolarHBondContact O-N 3.04Å
71V93.9Very high86.4Confident6 Ų652.3 Ų52.34%0.03626%0.256CS..BIsolated β-bridgetrans-120138.1171.7179.10000108.5L65 H68 R73 F155L65-V71 HydrophobicContact CB-CG1 3.98Å; L65-V71 HydrophobicContact CB-CG2 4.45Å; L65-V71 HydrophobicContact CD1-CG1 4.32Å; H68-V71 HydrophobicContact CB-CB 4.39Å; H68-V71 HydrophobicContact CB-CG2 4.11Å; H68-V71 PolarHBondContact O-N 2.91Å; V71-R73 PolarHBondContact O-N 3.49Å; V71-F155 HydrophobicContact CG1-CE2 3.76Å; V71-F155 HydrophobicContact CG1-CZ 3.8Å; V71-F155 HydrophobicContact CG2-CZ 4.37Å
72I92.5Very high86Confident14 Ų1457.4 Ų57.47%0.07229%0.292CS..  trans-59.7131177.9-161.9157.6000109.8F74 F88 E89 F152I72-F74 PolarHBondContact O-N 3.37Å; I72-F88 HydrophobicContact CG1-CB 4.44Å; I72-F88 HydrophobicContact CG2-CD1 3.99Å; I72-F88 HydrophobicContact CG2-CE1 4.36Å; I72-E89 HydrophobicContact CG1-CG 3.75Å; I72-F152 VanDerWaalsContact CB-O 3.28Å; I72-F152 WeakPolarHBondContact CB-O 3.48Å; I72-F152 VanDerWaalsContact CG2-O 3.31Å; I72-F152 WeakPolarHBondContact CG2-O 3.26Å; I72-F152 PolarHBondContact N-O 2.96Å
73R90.6Very high85.8Confident117 Ų11758.3 Ų58.344%0.44230%0.296SS..  trans-69.2105.7-176.1-174.3-178.4-178.61684.8110.1M1 V71 M75 F88 E89M1-R73 PolarHBondContact SD-NH2 2.98Å; V71-R73 PolarHBondContact O-N 3.49Å; R73-M75 PolarHBondContact O-N 3Å; R73-F88 CarbonylContact O-C 3.48Å; R73-F88 VanDerWaalsContact O-CA 3.31Å; R73-F88 WeakPolarHBondContact O-CA 3.3Å; R73-E89 HydrophobicContact CB-CB 4.02Å; R73-E89 HydrophobicContact CB-CG 3.75Å; R73-E89 VanDerWaalsContact CB-OE1 3.29Å; R73-E89 WeakPolarHBondContact CB-OE1 3.32Å; R73-E89 PolarHBondContact N-OE1 2.97Å; R73-E89 PolarHBondContact O-N 3.19Å
74F90Very high86Confident17 Ų1753.5 Ų53.58%0.07527%0.274CS..EExtended strand (participates in β ladder)trans-67.4124.8163.5170.1-105.7000109.6I59 L62 Q63 I66 I72 K76 I86I59-F74 HydrophobicContact CG2-CE2 4.5Å; I59-F74 HydrophobicContact CG2-CZ 4.12Å; L62-F74 HydrophobicContact CB-CB 3.91Å; L62-F74 HydrophobicContact CB-CD2 4.35Å; L62-F74 HydrophobicContact CB-CG 4.02Å; L62-F74 HydrophobicContact CD1-CB 4.48Å; L62-F74 HydrophobicContact CD1-CD2 4.17Å; L62-F74 HydrophobicContact CD2-CB 4.48Å; Q63-F74 HydrophobicContact CG-CD1 4.31Å; Q63-F74 HydrophobicContact CG-CE1 3.77Å; Q63-F74 HydrophobicContact CG-CZ 4.45Å; I66-F74 HydrophobicContact CD1-CD1 4.37Å; I72-F74 PolarHBondContact O-N 3.37Å; F74-K76 WeakPolarHBondContact CE2-O 3.44Å; F74-K76 VanDerWaalsContact CZ-C 3.43Å; F74-I86 HydrophobicContact CD2-CG2 3.84Å; F74-I86 HydrophobicContact CE2-CG2 3.73Å
75M89.4Confident86.3Confident54 Ų5450.2 Ų50.227%0.26626%0.258SS..EExtended strand (participates in β ladder)trans-97.1-54.9-178.7-52.4-172.59100110.9M4 F38 R73 I87M4-M75 HydrophobicContact CE-CE 3.4Å; M4-M75 HydrophobicContact CE-SD 3.63Å; M4-M75 HydrophobicContact SD-CE 3.19Å; M4-M75 WeakPolarHBondContact SD-CE 3.43Å; M4-M75 HydrophobicContact SD-SD 4.11Å; F38-M75 HydrophobicContact CB-SD 4Å; R73-M75 PolarHBondContact O-N 3Å; M75-I87 HydrophobicContact CB-CB 4.38Å; M75-I87 HydrophobicContact CB-CG2 4.01Å; M75-I87 WeakPolarHBondContact CB-O 3.23Å; M75-I87 HydrophobicContact CG-CG2 4.33Å; M75-I87 PolarHBondContact N-O 2.81Å; M75-I87 HydrophobicContact SD-CG2 3.99Å
76K88.5Confident86.6Confident42 Ų4250.1 Ų50.118%0.18326%0.258CS..EExtended strand (participates in β ladder)trans-166.2168.9172.768.3177.9-70179.60111.7M4 R5 M7 F74 I78 I87M4-K76 VanDerWaalsContact O-CD 3.28Å; M4-K76 WeakPolarHBondContact O-CD 3.33Å; R5-K76 PolarHBondContact O-NZ 3.38Å; M7-K76 HydrophobicContact CE-CD 4.48Å; M7-K76 PolarHBondContact O-NZ 3.13Å; F74-K76 WeakPolarHBondContact CE2-O 3.44Å; F74-K76 VanDerWaalsContact CZ-C 3.43Å; K76-I78 HydrophobicContact CD-CG1 4.26Å; K76-I87 HydrophobicContact CD-CD1 4.47Å; K76-I87 HydrophobicContact CG-CB 4.28Å; K76-I87 HydrophobicContact CG-CD1 4.01Å; K76-I87 HydrophobicContact CG-CG1 4.39Å; K76-I87 PolarHBondContact N-O 2.73Å; K76-I87 WeakPolarHBondContact O-CB 3.41Å; K76-I87 PolarHBondContact O-N 3Å
77S89.5Confident87.4Confident34 Ų3446.8 Ų46.824%0.23824%0.241CC..EExtended strand (participates in β ladder)trans-106.9149.3159.7540000109.8G85S77-G85 CarbonylContact C-O 3.23Å; S77-G85 VanDerWaalsContact CA-O 3.29Å; S77-G85 WeakPolarHBondContact CA-O 3.4Å
78I89.3Confident88.5Confident7 Ų742.2 Ų42.24%0.03622%0.219CC..EExtended strand (participates in β ladder)trans-117.5129.9169.8-62175.7000106.6I12 K76 E80 F83 A84 G85 I87I12-I78 HydrophobicContact CD1-CD1 3.68Å; K76-I78 HydrophobicContact CD-CG1 4.26Å; I78-E80 HydrophobicContact CG2-CG 3.88Å; I78-E80 VanDerWaalsContact CG2-OE1 3.26Å; I78-E80 WeakPolarHBondContact CG2-OE1 3.31Å; I78-F83 HydrophobicContact CB-CD1 4.24Å; I78-F83 HydrophobicContact CB-CE1 4.01Å; I78-F83 HydrophobicContact CD1-CE1 4.47Å; I78-F83 HydrophobicContact CG2-CD1 3.76Å; I78-F83 HydrophobicContact CG2-CE1 3.97Å; I78-A84 CarbonylContact O-C 3.5Å; I78-A84 VanDerWaalsContact O-CA 3.3Å; I78-A84 WeakPolarHBondContact O-CA 3.46Å; I78-G85 PolarHBondContact N-O 3.04Å; I78-G85 PolarHBondContact O-N 3.05Å; I78-I87 HydrophobicContact CD1-CD1 3.73Å; I78-I87 HydrophobicContact CG1-CD1 4.26Å
79I85.6Confident88.9Confident106 Ų10642.5 Ų42.554%0.54422%0.22SC..EExtended strand (participates in β ladder)trans-135109.4176.3-60.8172.4000106.1I51I51-I79 HydrophobicContact CD1-CB 4.24Å; I51-I79 HydrophobicContact CD1-CD1 3.56Å; I51-I79 HydrophobicContact CD1-CG1 3.64Å; I51-I79 HydrophobicContact CD1-CG2 3.62Å
80E85.2Confident89.3Confident66 Ų6643.1 Ų43.131%0.30822%0.22SC..EExtended strand (participates in β ladder)trans-131.7164179.9-66.4171.3-162.700108.3T8 S9 I78 S82 F83T8-E80 WeakPolarHBondContact CA-OE1 3.45Å; T8-E80 VanDerWaalsContact CB-OE1 3.26Å; T8-E80 WeakPolarHBondContact CB-OE1 3.16Å; S9-E80 WeakPolarHBondContact CB-OE2 3.34Å; S9-E80 PolarHBondContact N-OE1 2.72Å; S9-E80 PolarHBondContact OG-OE2 3.23Å; I78-E80 HydrophobicContact CG2-CG 3.88Å; I78-E80 VanDerWaalsContact CG2-OE1 3.26Å; I78-E80 WeakPolarHBondContact CG2-OE1 3.31Å; E80-S82 PolarHBondContact O-N 3.03Å; E80-F83 HydrophobicContact CB-CB 4.44Å; E80-F83 PolarHBondContact N-O 3.46Å; E80-F83 PolarHBondContact O-N 3.07Å; E80-F83 VanDerWaalsContact O-N 3.12Å; E80-F83 VanDerWaalsContact O-O 3.05Å
81D78.5Confident89.4Confident181 Ų18143.8 Ų43.897%0.96822%0.223SC*.THydrogen-bonded Turntrans-53.2-36-171.3-65-23.5000113.9
82S80.8Confident89.1Confident115 Ų11548 Ų4880%0.80425%0.253SS*.THydrogen-bonded Turntrans-114.83.8-178.859.90000114E80E80-S82 PolarHBondContact O-N 3.03Å
83F86.7Confident89Confident22 Ų2250.3 Ų50.310%0.09626%0.264CS..EExtended strand (participates in β ladder)trans-147128-174.1-178.9-94.3000112.4S9 I12 L40 E42 I78 E80S9-F83 VanDerWaalsContact CB-CD1 3.49Å; I12-F83 HydrophobicContact CD1-CE1 4.45Å; I12-F83 HydrophobicContact CD1-CZ 4.36Å; L40-F83 HydrophobicContact CD1-CZ 3.95Å; L40-F83 HydrophobicContact CD2-CE2 4.43Å; L40-F83 HydrophobicContact CD2-CZ 3.96Å; E42-F83 HydrophobicContact CG-CE2 4.02Å; E42-F83 WeakPolarHBondContact OE1-CE2 3.43Å; I78-F83 HydrophobicContact CB-CD1 4.24Å; I78-F83 HydrophobicContact CB-CE1 4.01Å; I78-F83 HydrophobicContact CD1-CE1 4.47Å; I78-F83 HydrophobicContact CG2-CD1 3.76Å; I78-F83 HydrophobicContact CG2-CE1 3.97Å; E80-F83 HydrophobicContact CB-CB 4.44Å; E80-F83 PolarHBondContact N-O 3.46Å; E80-F83 PolarHBondContact O-N 3.07Å; E80-F83 VanDerWaalsContact O-N 3.12Å; E80-F83 VanDerWaalsContact O-O 3.05Å
84A88.2Confident89.2Confident2 Ų246.1 Ų46.12%0.01725%0.251CS..EExtended strand (participates in β ladder)trans-128.9134.516700000110.3L43 C45 I51 I78L43-A84 HydrophobicContact CB-CB 3.99Å; L43-A84 WeakPolarHBondContact CB-O 3.47Å; L43-A84 HydrophobicContact CD1-CB 4.14Å; L43-A84 HydrophobicContact CG-CB 4.49Å; L43-A84 PolarHBondContact N-O 2.86Å; C45-A84 VanDerWaalsContact SG-CB 3.52Å; I51-A84 HydrophobicContact CD1-CB 4.01Å; I51-A84 HydrophobicContact CG1-CB 4.09Å; I78-A84 CarbonylContact O-C 3.5Å; I78-A84 VanDerWaalsContact O-CA 3.3Å; I78-A84 WeakPolarHBondContact O-CA 3.46Å
85G91.2Very high89.5Confident0 Ų045.3 Ų45.30%025%0.247CC..EExtended strand (participates in β ladder)trans-155.9150.4-176.800000113.5K41 S77 I78K41-G85 CarbonylContact O-C 3.52Å; K41-G85 VanDerWaalsContact O-CA 3.29Å; K41-G85 WeakPolarHBondContact O-CA 3.4Å; S77-G85 CarbonylContact C-O 3.23Å; S77-G85 VanDerWaalsContact CA-O 3.29Å; S77-G85 WeakPolarHBondContact CA-O 3.4Å; I78-G85 PolarHBondContact N-O 3.04Å; I78-G85 PolarHBondContact O-N 3.05Å
86I91.9Very high89.6Confident0 Ų045.1 Ų45.10%025%0.245CC..EExtended strand (participates in β ladder)trans-113.7126.5175.6-48.2178000108.2K41 L43 I59 F74 F88K41-I86 HydrophobicContact CB-CB 4.42Å; K41-I86 PolarHBondContact N-O 2.91Å; K41-I86 PolarHBondContact O-N 3.42Å; L43-I86 HydrophobicContact CD1-CD1 4.31Å; L43-I86 HydrophobicContact CD1-CG1 4.06Å; L43-I86 HydrophobicContact CD2-CD1 4.14Å; L43-I86 HydrophobicContact CD2-CG1 4.3Å; L43-I86 HydrophobicContact CG-CG1 4.36Å; I59-I86 HydrophobicContact CD1-CD1 4.07Å; I59-I86 HydrophobicContact CD1-CG1 4.07Å; I59-I86 HydrophobicContact CG1-CD1 3.67Å; I59-I86 HydrophobicContact CG1-CG1 3.97Å; F74-I86 HydrophobicContact CD2-CG2 3.84Å; F74-I86 HydrophobicContact CE2-CG2 3.73Å; I86-F88 HydrophobicContact CB-CE2 3.74Å; I86-F88 HydrophobicContact CB-CZ 3.97Å; I86-F88 HydrophobicContact CG2-CD2 4.29Å; I86-F88 HydrophobicContact CG2-CE1 3.95Å; I86-F88 HydrophobicContact CG2-CE2 3.48Å; I86-F88 VanDerWaalsContact CG2-CE2 3.48Å; I86-F88 HydrophobicContact CG2-CZ 3.28Å
87I92.9Very high89.8Confident0 Ų046.2 Ų46.20%026%0.255CS..EExtended strand (participates in β ladder)trans-107.3128-176.1-55.9-174.8000110M7 I12 F38 A39 L40 M75 K76 I78M7-I87 HydrophobicContact CE-CD1 3.25Å; I12-I87 HydrophobicContact CD1-CD1 4.02Å; F38-I87 HydrophobicContact CB-CG2 3.79Å; F38-I87 HydrophobicContact CD1-CG2 4.42Å; F38-I87 HydrophobicContact CD2-CG2 3.54Å; F38-I87 HydrophobicContact CE2-CD1 4.14Å; F38-I87 HydrophobicContact CE2-CG1 4.47Å; F38-I87 HydrophobicContact CE2-CG2 4.15Å; F38-I87 HydrophobicContact CG-CG2 3.69Å; F38-I87 HydrophobicContact CZ-CD1 4.48Å; A39-I87 WeakPolarHBondContact O-CA 3.27Å; L40-I87 HydrophobicContact CD1-CG1 3.98Å; M75-I87 HydrophobicContact CB-CB 4.38Å; M75-I87 HydrophobicContact CB-CG2 4.01Å; M75-I87 WeakPolarHBondContact CB-O 3.23Å; M75-I87 HydrophobicContact CG-CG2 4.33Å; M75-I87 PolarHBondContact N-O 2.81Å; M75-I87 HydrophobicContact SD-CG2 3.99Å; K76-I87 HydrophobicContact CD-CD1 4.47Å; K76-I87 HydrophobicContact CG-CB 4.28Å; K76-I87 HydrophobicContact CG-CD1 4.01Å; K76-I87 HydrophobicContact CG-CG1 4.39Å; K76-I87 PolarHBondContact N-O 2.73Å; K76-I87 WeakPolarHBondContact O-CB 3.41Å; K76-I87 PolarHBondContact O-N 3Å; I78-I87 HydrophobicContact CD1-CD1 3.73Å; I78-I87 HydrophobicContact CG1-CD1 4.26Å
88F92.4Very high89.9Confident15 Ų1547.2 Ų47.27%0.06625%0.254CS..EExtended strand (participates in β ladder)trans-124.8161.9-179.9-53.3-90.9000110.9F38 A39 K41 L62 I72 R73 I86 Y90F38-F88 VanDerWaalsContact CB-O 3.29Å; F38-F88 WeakPolarHBondContact CB-O 3.48Å; A39-F88 HydrophobicContact CB-CB 4.36Å; A39-F88 PolarHBondContact N-O 3.33Å; A39-F88 PolarHBondContact O-N 3.05Å; K41-F88 HydrophobicContact CB-CE2 3.94Å; L62-F88 HydrophobicContact CD1-CE1 3.49Å; L62-F88 VanDerWaalsContact CD1-CE1 3.49Å; L62-F88 HydrophobicContact CD1-CZ 3.96Å; L62-F88 HydrophobicContact CD2-CE1 4.35Å; I72-F88 HydrophobicContact CG1-CB 4.44Å; I72-F88 HydrophobicContact CG2-CD1 3.99Å; I72-F88 HydrophobicContact CG2-CE1 4.36Å; R73-F88 CarbonylContact O-C 3.48Å; R73-F88 VanDerWaalsContact O-CA 3.31Å; R73-F88 WeakPolarHBondContact O-CA 3.3Å; I86-F88 HydrophobicContact CB-CE2 3.74Å; I86-F88 HydrophobicContact CB-CZ 3.97Å; I86-F88 HydrophobicContact CG2-CD2 4.29Å; I86-F88 HydrophobicContact CG2-CE1 3.95Å; I86-F88 HydrophobicContact CG2-CE2 3.48Å; I86-F88 VanDerWaalsContact CG2-CE2 3.48Å; I86-F88 HydrophobicContact CG2-CZ 3.28Å; F88-Y90 PolarHBondContact O-N 2.93Å
89E92Very high90Very high33 Ų3347 Ų4715%0.15425%0.253CS..EExtended strand (participates in β ladder)trans-54.5140.7160.867.6-174.9149.100110.4I72 R73 L91 K151I72-E89 HydrophobicContact CG1-CG 3.75Å; R73-E89 HydrophobicContact CB-CB 4.02Å; R73-E89 HydrophobicContact CB-CG 3.75Å; R73-E89 VanDerWaalsContact CB-OE1 3.29Å; R73-E89 WeakPolarHBondContact CB-OE1 3.32Å; R73-E89 PolarHBondContact N-OE1 2.97Å; R73-E89 PolarHBondContact O-N 3.19Å; E89-L91 HydrophobicContact CG-CD1 4.47Å; E89-L91 HydrophobicContact CG-CG 4.3Å; E89-K151 VanDerWaalsContact CD-NZ 3.3Å; E89-K151 WeakPolarHBondContact OE1-CD 3.22Å; E89-K151 WeakPolarHBondContact OE1-CE 3.37Å; E89-K151 IonicContact OE1-NZ 3.33Å; E89-K151 PolarHBondContact OE1-NZ 3.28Å; E89-K151 IonicContact OE2-NZ 2.92Å; E89-K151 PolarHBondContact OE2-NZ 3.44Å
90Y94.7Very high90.2Very high64 Ų6446.5 Ų46.525%0.25125%0.251SS..  trans-87.7126.8174.4176.4-101.1000109.9I18 K28 I37 A39 F88I18-Y90 HydrophobicContact CD1-CD2 4.02Å; I18-Y90 HydrophobicContact CD1-CE2 3.76Å; I18-Y90 HydrophobicContact CG2-CE2 4.38Å; K28-Y90 HydrophobicContact CB-CD2 4.11Å; K28-Y90 HydrophobicContact CB-CE2 3.82Å; K28-Y90 HydrophobicContact CD-CD2 4.48Å; K28-Y90 HydrophobicContact CD-CE1 4.22Å; K28-Y90 HydrophobicContact CD-CE2 3.91Å; K28-Y90 HydrophobicContact CG-CD2 3.89Å; K28-Y90 HydrophobicContact CG-CE2 3.75Å; K28-Y90 HydrophobicContact CG-CG 4.34Å; I37-Y90 HydrophobicContact CG2-CD1 3.89Å; I37-Y90 HydrophobicContact CG2-CG 3.94Å; A39-Y90 HydrophobicContact CB-CD2 4.34Å; F88-Y90 PolarHBondContact O-N 2.93Å
91L92.9Very high90.4Very high24 Ų2447 Ų4713%0.12626%0.262CS..  trans-126.5129.6172.7-62.5177.4000108.4E89 F143 D145 K151E89-L91 HydrophobicContact CG-CD1 4.47Å; E89-L91 HydrophobicContact CG-CG 4.3Å; L91-F143 HydrophobicContact CB-CB 3.92Å; L91-F143 HydrophobicContact CB-CD1 3.56Å; L91-F143 HydrophobicContact CB-CE1 4.46Å; L91-F143 HydrophobicContact CB-CG 4.07Å; L91-F143 HydrophobicContact CD1-CB 3.48Å; L91-F143 VanDerWaalsContact CD1-CB 3.48Å; L91-F143 HydrophobicContact CD1-CG 4.32Å; L91-F143 HydrophobicContact CG-CB 4.34Å; L91-F143 WeakPolarHBondContact O-CD1 3.25Å; L91-F143 VanDerWaalsContact O-CE1 3.31Å; L91-F143 WeakPolarHBondContact O-CE1 3.08Å; L91-D145 HydrophobicContact CD2-CB 3.76Å; L91-K151 HydrophobicContact CD1-CB 4.24Å; L91-K151 HydrophobicContact CD1-CD 3.98Å; L91-K151 HydrophobicContact CD1-CG 4.23Å
92S88.5Confident90.7Very high96 Ų9639.3 Ų39.367%0.67122%0.221SC*.SBendtrans-84.3-20.7-173.251.70000114.1
93M91.4Very high90.9Very high62 Ų6235.1 Ų35.131%0.30520%0.196SC..EExtended strand (participates in β ladder)trans-120.2125.6-173.4-17065.87200110.6T97 F143 I144M93-T97 HydrophobicContact SD-CG2 3.64Å; M93-F143 WeakPolarHBondContact O-CA 3.34Å; M93-F143 WeakPolarHBondContact O-CD1 3.48Å; M93-I144 PolarHBondContact O-N 2.91Å
94N94.6Very high90.7Very high29 Ų2940 Ų4016%0.15523%0.23CC..EExtended strand (participates in β ladder)trans-103.9163164.56862.5000110.6K96 T97 Y98 L142 F143N94-K96 PolarHBondContact O-N 3.35Å; N94-K96 WeakPolarHBondContact OD1-CA 3.5Å; N94-K96 VanDerWaalsContact OD1-CB 3.28Å; N94-K96 WeakPolarHBondContact OD1-CB 3.49Å; N94-K96 PolarHBondContact OD1-N 3.41Å; N94-T97 PolarHBondContact ND2-OG1 3.04Å; N94-T97 PolarHBondContact O-N 3.35Å; N94-T97 PolarHBondContact OD1-N 3.21Å; N94-T97 PolarHBondContact OD1-OG1 2.91Å; N94-Y98 PolarHBondContact O-N 3.37Å; N94-L142 CarbonylContact C-O 3.25Å; N94-L142 VanDerWaalsContact CA-O 3.29Å; N94-L142 WeakPolarHBondContact CA-O 3.47Å; N94-F143 HydrophobicContact CB-CD1 4.14Å; N94-F143 HydrophobicContact CB-CD2 4.38Å; N94-F143 HydrophobicContact CB-CE1 4.1Å; N94-F143 HydrophobicContact CB-CE2 4.31Å; N94-F143 HydrophobicContact CB-CG 4.3Å; N94-F143 HydrophobicContact CB-CZ 4.19Å
95L94.7Very high90.4Very high0 Ų047.2 Ų47.20%027%0.268CS..Hα-helixtrans-62.6-32.8-175.3-179.562.9000111.9Y98 I99 M108 F116 P139 L142 I144 I150 I201 M205L95-Y98 PolarHBondContact O-N 3.29Å; L95-I99 HydrophobicContact CD1-CD1 4.15Å; L95-I99 HydrophobicContact CD1-CG1 4.25Å; L95-I99 HydrophobicContact CG-CD1 3.92Å; L95-I99 HydrophobicContact CG-CG1 4.46Å; L95-I99 VanDerWaalsContact O-CG1 3.26Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 3.33Å; L95-M108 HydrophobicContact CD1-CE 4.39Å; L95-F116 HydrophobicContact CD1-CD2 4Å; L95-F116 HydrophobicContact CD1-CE2 4.09Å; L95-P139 HydrophobicContact CB-CB 4.18Å; L95-P139 WeakPolarHBondContact CB-O 3.42Å; L95-P139 HydrophobicContact CD2-CB 4.35Å; L95-P139 HydrophobicContact CG-CB 4.23Å; L95-P139 PolarHBondContact N-O 3.31Å; L95-L142 HydrophobicContact CB-CB 4.05Å; L95-L142 HydrophobicContact CD2-CB 4.45Å; L95-L142 HydrophobicContact CD2-CD1 3.87Å; L95-L142 PolarHBondContact N-O 2.84Å; L95-I144 HydrophobicContact CD1-CD1 4.25Å; L95-I150 HydrophobicContact CD1-CD1 4.49Å; L95-I201 HydrophobicContact CD2-CG2 3.64Å; L95-M205 HydrophobicContact CD1-CG 4.23Å; L95-M205 HydrophobicContact CD1-SD 3.88Å; L95-M205 HydrophobicContact CD2-CG 4.09Å; L95-M205 HydrophobicContact CD2-SD 3.75Å; L95-M205 HydrophobicContact CG-SD 4.4Å
96K93.1Very high90Very high49 Ų4951.1 Ų51.121%0.21329%0.286CS..Hα-helixtrans-62.3-52.2175.1-171.966.517984.50110.9N94 Y98 I99 D100 P139 E140N94-K96 PolarHBondContact O-N 3.35Å; N94-K96 WeakPolarHBondContact OD1-CA 3.5Å; N94-K96 VanDerWaalsContact OD1-CB 3.28Å; N94-K96 WeakPolarHBondContact OD1-CB 3.49Å; N94-K96 PolarHBondContact OD1-N 3.41Å; K96-Y98 PolarHBondContact O-N 3.16Å; K96-I99 PolarHBondContact O-N 3.36Å; K96-D100 IonicContact NZ-OD1 3.84Å; K96-D100 PolarHBondContact NZ-OD1 2.83Å; K96-D100 IonicContact NZ-OD2 2.83Å; K96-D100 PolarHBondContact NZ-OD2 3.41Å; K96-D100 WeakPolarHBondContact O-CB 3.37Å; K96-D100 VanDerWaalsContact O-CG 3.24Å; K96-D100 PolarHBondContact O-N 3.44Å; K96-P139 HydrophobicContact CB-CB 3.86Å; K96-P139 HydrophobicContact CD-CB 4.28Å; K96-P139 PolarHBondContact N-O 3.46Å; K96-E140 HydrophobicContact CB-CG 3.9Å; K96-E140 HydrophobicContact CG-CG 4.16Å
97T92.9Very high89.6Confident65 Ų6555.7 Ų55.740%0.39931%0.309SS..Hα-helixtrans-60.9-37.2178.7-52.90000111.3M93 N94 D100 S101M93-T97 HydrophobicContact SD-CG2 3.64Å; N94-T97 PolarHBondContact ND2-OG1 3.04Å; N94-T97 PolarHBondContact O-N 3.35Å; N94-T97 PolarHBondContact OD1-N 3.21Å; N94-T97 PolarHBondContact OD1-OG1 2.91Å; T97-D100 PolarHBondContact O-N 2.95Å; T97-S101 WeakPolarHBondContact O-CB 3.41Å; T97-S101 PolarHBondContact O-N 3.39Å
98Y91.3Very high89.3Confident56 Ų5656.3 Ų56.322%0.2231%0.312CS..Hα-helixtrans-62-51.2174.5-175.8-94.3000111.7N94 L95 K96 D100 S101 M108 L112 I144N94-Y98 PolarHBondContact O-N 3.37Å; L95-Y98 PolarHBondContact O-N 3.29Å; K96-Y98 PolarHBondContact O-N 3.16Å; Y98-D100 VanDerWaalsContact C-N 3.28Å; Y98-D100 PolarHBondContact O-N 3.31Å; Y98-S101 PolarHBondContact O-N 3.48Å; Y98-S101 VanDerWaalsContact O-N 3.13Å; Y98-S101 PolarHBondContact O-OG 3.12Å; Y98-M108 HydrophobicContact CD1-CE 4.21Å; Y98-M108 HydrophobicContact CD1-SD 4.28Å; Y98-M108 HydrophobicContact CE1-CE 3.87Å; Y98-M108 HydrophobicContact CE1-CG 4.13Å; Y98-M108 HydrophobicContact CE1-SD 4.21Å; Y98-L112 HydrophobicContact CE1-CD2 4Å; Y98-L112 WeakPolarHBondContact OH-CD2 3.35Å; Y98-I144 HydrophobicContact CD1-CD1 4.44Å; Y98-I144 HydrophobicContact CD2-CD1 4.21Å; Y98-I144 HydrophobicContact CG-CD1 3.9Å
99I90.3Very high88.7Confident3 Ų358.3 Ų58.32%0.01532%0.323CS..Hα-helixtrans-60.7-37.9178.1-67.5165.3000111.6L95 K96 S101 M108 M205 R208L95-I99 HydrophobicContact CD1-CD1 4.15Å; L95-I99 HydrophobicContact CD1-CG1 4.25Å; L95-I99 HydrophobicContact CG-CD1 3.92Å; L95-I99 HydrophobicContact CG-CG1 4.46Å; L95-I99 VanDerWaalsContact O-CG1 3.26Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 3.33Å; K96-I99 PolarHBondContact O-N 3.36Å; I99-S101 VanDerWaalsContact C-N 3.31Å; I99-M108 HydrophobicContact CD1-SD 4.5Å; I99-M108 HydrophobicContact CG1-SD 3.85Å; I99-M205 HydrophobicContact CD1-CG 4.06Å; I99-R208 HydrophobicContact CG2-CG 4.3Å; I99-R208 PolarHBondContact O-NE 3.29Å; I99-R208 PolarHBondContact O-NH2 3.24Å
100D90.3Very high88Confident95 Ų9560 Ų6051%0.50834%0.339SS..Hα-helixtrans-73-23.9179.2-69.4-18.3000112.9K96 T97 Y98 L102K96-D100 IonicContact NZ-OD1 3.84Å; K96-D100 PolarHBondContact NZ-OD1 2.83Å; K96-D100 IonicContact NZ-OD2 2.83Å; K96-D100 PolarHBondContact NZ-OD2 3.41Å; K96-D100 WeakPolarHBondContact O-CB 3.37Å; K96-D100 VanDerWaalsContact O-CG 3.24Å; K96-D100 PolarHBondContact O-N 3.44Å; T97-D100 PolarHBondContact O-N 2.95Å; Y98-D100 VanDerWaalsContact C-N 3.28Å; Y98-D100 PolarHBondContact O-N 3.31Å; D100-L102 VanDerWaalsContact C-N 3.34Å
101S90.2Very high86.7Confident77 Ų7759.5 Ų59.554%0.53834%0.34SS..Hα-helixtrans-77.4-17.2178.972.80000114.2T97 Y98 I99T97-S101 WeakPolarHBondContact O-CB 3.41Å; T97-S101 PolarHBondContact O-N 3.39Å; Y98-S101 PolarHBondContact O-N 3.48Å; Y98-S101 VanDerWaalsContact O-N 3.13Å; Y98-S101 PolarHBondContact O-OG 3.12Å; I99-S101 VanDerWaalsContact C-N 3.31Å
102L84.7Confident86Confident18 Ų1859.8 Ų59.89%0.09434%0.342CS..SBendtrans-67.9141.4178.4-61.5172000111D100 E106 M108 R208D100-L102 VanDerWaalsContact C-N 3.34Å; L102-E106 HydrophobicContact CB-CB 4.23Å; L102-E106 HydrophobicContact CB-CG 4.39Å; L102-E106 HydrophobicContact CD2-CG 4.18Å; L102-M108 HydrophobicContact CD1-CG 3.58Å; L102-R208 PolarHBondContact O-NH2 3.41Å
103G84.1Confident85.9Confident28 Ų2855.4 Ų55.429%0.28931%0.311SS..  trans-57.5161.117700000112.9D105 E106 R208G103-D105 VanDerWaalsContact C-N 3.28Å; G103-D105 PolarHBondContact O-N 2.8Å; G103-D105 VanDerWaalsContact O-N 3.09Å; G103-E106 PolarHBondContact N-OE2 3.24Å; G103-E106 WeakPolarHBondContact O-CB 3.25Å; G103-E106 PolarHBondContact O-N 2.74Å; G103-R208 PolarHBondContact O-NH1 2.89Å
104P82.3Confident85.6Confident124 Ų12453.9 Ų53.981%0.80530%0.302SS*.THydrogen-bonded Turntrans-52.4-39.8-169.1-26.333.2000115.2R208P104-R208 PolarHBondContact O-NH1 3.25Å
105D82.2Confident84.9Confident153 Ų15356.1 Ų56.182%0.81831%0.311SS*.THydrogen-bonded Turntrans-1040.2-179.5-57-54.3000112.9G103G103-D105 VanDerWaalsContact C-N 3.28Å; G103-D105 PolarHBondContact O-N 2.8Å; G103-D105 VanDerWaalsContact O-N 3.09Å
106E82.8Confident84.7Confident82 Ų8256.3 Ų56.338%0.38331%0.312SS..PPolyproline II helixtrans-79.3126.9-179.9-170.3179.2-168.700110L102 G103 R208L102-E106 HydrophobicContact CB-CB 4.23Å; L102-E106 HydrophobicContact CB-CG 4.39Å; L102-E106 HydrophobicContact CD2-CG 4.18Å; G103-E106 PolarHBondContact N-OE2 3.24Å; G103-E106 WeakPolarHBondContact O-CB 3.25Å; G103-E106 PolarHBondContact O-N 2.74Å; E106-R208 WeakPolarHBondContact O-CD 3.22Å; E106-R208 PolarHBondContact O-NH1 3.21Å
107M84.4Confident84.8Confident97 Ų9754 Ų5448%0.47830%0.301SS..PPolyproline II helixtrans-103.7153.6174.4-65-61.9120.400110D109 R208M107-D109 PolarHBondContact O-N 2.93Å; M107-R208 HydrophobicContact CE-CB 4.5Å; M107-R208 HydrophobicContact CE-CG 4.12Å; M107-R208 HydrophobicContact SD-CB 4.43Å; M107-R208 HydrophobicContact SD-CG 3.84Å
108M86.3Confident84.5Confident13 Ų1353.2 Ų53.26%0.06429%0.293CS..PPolyproline II helixtrans-61.9137.2169.5-72.4-175.664.300110.2L95 Y98 I99 L102 S110 L112 V113 F116 M205L95-M108 HydrophobicContact CD1-CE 4.39Å; Y98-M108 HydrophobicContact CD1-CE 4.21Å; Y98-M108 HydrophobicContact CD1-SD 4.28Å; Y98-M108 HydrophobicContact CE1-CE 3.87Å; Y98-M108 HydrophobicContact CE1-CG 4.13Å; Y98-M108 HydrophobicContact CE1-SD 4.21Å; I99-M108 HydrophobicContact CD1-SD 4.5Å; I99-M108 HydrophobicContact CG1-SD 3.85Å; L102-M108 HydrophobicContact CD1-CG 3.58Å; M108-S110 PolarHBondContact O-N 3.32Å; M108-L112 HydrophobicContact CE-CD2 4.11Å; M108-L112 HydrophobicContact CE-CG 4.2Å; M108-V113 HydrophobicContact CB-CG2 3.58Å; M108-V113 HydrophobicContact CE-CG2 4.22Å; M108-V113 HydrophobicContact SD-CG2 4.48Å; M108-F116 HydrophobicContact CE-CD2 3.68Å; M108-F116 HydrophobicContact CE-CE2 3.77Å; M108-M205 HydrophobicContact CE-CB 4.48Å; M108-M205 HydrophobicContact CE-CG 4.28Å; M108-M205 HydrophobicContact CE-SD 3.99Å; M108-M205 HydrophobicContact SD-CB 3.81Å; M108-M205 HydrophobicContact SD-CG 3.79Å; M108-M205 HydrophobicContact SD-SD 4.29Å
109D79.4Confident84.4Confident56 Ų5651.6 Ų51.630%0.29929%0.287SS..PPolyproline II helixtrans-58.6131.4172.9170.1-95.1000110.4M107 L111 L112 V113 K327M107-D109 PolarHBondContact O-N 2.93Å; D109-L111 PolarHBondContact O-N 3.06Å; D109-L111 VanDerWaalsContact O-N 3.13Å; D109-L111 VanDerWaalsContact OD1-CA 3.24Å; D109-L111 WeakPolarHBondContact OD1-CA 3.41Å; D109-L111 WeakPolarHBondContact OD1-CB 3.36Å; D109-L111 PolarHBondContact OD1-N 3.04Å; D109-L112 HydrophobicContact CB-CB 4.32Å; D109-L112 WeakPolarHBondContact O-CA 3.03Å; D109-L112 WeakPolarHBondContact O-CB 3.2Å; D109-L112 PolarHBondContact O-N 3.11Å; D109-L112 PolarHBondContact OD1-N 3.48Å; D109-L112 VanDerWaalsContact OD1-N 3.09Å; D109-V113 WeakPolarHBondContact O-CG2 3.11Å; D109-V113 PolarHBondContact O-N 3.05Å; D109-K327 IonicContact OD1-NZ 2.72Å; D109-K327 IonicContact OD2-NZ 3.29Å; D109-K327 PolarHBondContact OD2-NZ 2.94Å
110S77.1Confident84.7Confident69 Ų6951.5 Ų51.548%0.48329%0.287SS..Hα-helixtrans-52-32.4179.255.20000115M108 K114 K327M108-S110 PolarHBondContact O-N 3.32Å; S110-K114 WeakPolarHBondContact O-CB 3.48Å; S110-K114 PolarHBondContact O-N 3.29Å; S110-K327 PolarHBondContact OG-NZ 3.36Å
111L67.4Low84.9Confident54 Ų5447 Ų4728%0.28326%0.262SS..Hα-helixtrans-76.7-38.4175.8-174.772.1000110.6D109 K114 K115 K327D109-L111 PolarHBondContact O-N 3.06Å; D109-L111 VanDerWaalsContact O-N 3.13Å; D109-L111 VanDerWaalsContact OD1-CA 3.24Å; D109-L111 WeakPolarHBondContact OD1-CA 3.41Å; D109-L111 WeakPolarHBondContact OD1-CB 3.36Å; D109-L111 PolarHBondContact OD1-N 3.04Å; L111-K114 CarbonylContact O-C 3.54Å; L111-K114 WeakPolarHBondContact O-CB 3.46Å; L111-K114 PolarHBondContact O-N 3.04Å; L111-K115 WeakPolarHBondContact O-CB 3.42Å; L111-K115 PolarHBondContact O-N 3.39Å; L111-K327 HydrophobicContact CB-CD 3.77Å; L111-K327 HydrophobicContact CD2-CB 4.05Å; L111-K327 HydrophobicContact CD2-CD 3.83Å; L111-K327 HydrophobicContact CD2-CG 4.38Å; L111-K327 HydrophobicContact CG-CD 4.35Å
112L78.3Confident84.8Confident30 Ų3045 Ų4516%0.15725%0.247CC..Hα-helixtrans-61.5-45.4172.5-172.662.8000111.2Y98 M108 D109 K114 K115 F116Y98-L112 HydrophobicContact CE1-CD2 4Å; Y98-L112 WeakPolarHBondContact OH-CD2 3.35Å; M108-L112 HydrophobicContact CE-CD2 4.11Å; M108-L112 HydrophobicContact CE-CG 4.2Å; D109-L112 HydrophobicContact CB-CB 4.32Å; D109-L112 WeakPolarHBondContact O-CA 3.03Å; D109-L112 WeakPolarHBondContact O-CB 3.2Å; D109-L112 PolarHBondContact O-N 3.11Å; D109-L112 PolarHBondContact OD1-N 3.48Å; D109-L112 VanDerWaalsContact OD1-N 3.09Å; L112-K114 VanDerWaalsContact C-N 3.35Å; L112-K114 PolarHBondContact O-N 3.29Å; L112-K115 HydrophobicContact CD1-CD 4.42Å; L112-K115 WeakPolarHBondContact O-CB 3.5Å; L112-K115 PolarHBondContact O-N 3.01Å; L112-F116 HydrophobicContact CD1-CD1 4.11Å; L112-F116 HydrophobicContact CD1-CE1 3.55Å; L112-F116 HydrophobicContact CD1-CE2 4.12Å; L112-F116 HydrophobicContact CD1-CZ 3.55Å; L112-F116 HydrophobicContact CD2-CE2 4.25Å; L112-F116 HydrophobicContact CD2-CZ 4.27Å; L112-F116 HydrophobicContact CG-CD2 4.36Å; L112-F116 HydrophobicContact CG-CE1 4.27Å; L112-F116 HydrophobicContact CG-CE2 3.97Å; L112-F116 HydrophobicContact CG-CZ 3.93Å; L112-F116 WeakPolarHBondContact O-CG 3.33Å; L112-F116 PolarHBondContact O-N 3.4Å
113V86.5Confident85.1Confident3 Ų344.1 Ų44.12%0.01824%0.243CC..Hα-helixtrans-54.7-52.2171.4177.30000109.7M108 D109 K115 F116 V117 F202 M205M108-V113 HydrophobicContact CB-CG2 3.58Å; M108-V113 HydrophobicContact CE-CG2 4.22Å; M108-V113 HydrophobicContact SD-CG2 4.48Å; D109-V113 WeakPolarHBondContact O-CG2 3.11Å; D109-V113 PolarHBondContact O-N 3.05Å; V113-K115 VanDerWaalsContact C-N 3.34Å; V113-K115 PolarHBondContact O-N 3.36Å; V113-F116 PolarHBondContact O-N 2.99Å; V113-V117 HydrophobicContact CG1-CG2 4.28Å; V113-V117 VanDerWaalsContact O-CG2 3.22Å; V113-V117 WeakPolarHBondContact O-CG2 3.48Å; V113-V117 PolarHBondContact O-N 3.26Å; V113-F202 HydrophobicContact CG1-CD2 3.67Å; V113-F202 HydrophobicContact CG1-CE2 3.6Å; V113-M205 HydrophobicContact CG1-CB 4.13Å; V113-M205 HydrophobicContact CG1-CE 4.23Å; V113-M205 HydrophobicContact CG2-CB 4.13Å
114K84.7Confident85.6Confident30 Ų3042.9 Ų42.913%0.1323%0.229CC..Hα-helixtrans-57.3-43.3177.9-176.7172.6-67.1-167.40112.6S110 L111 L112 V117 F118 D272 Y301 F302 T305S110-K114 WeakPolarHBondContact O-CB 3.48Å; S110-K114 PolarHBondContact O-N 3.29Å; L111-K114 CarbonylContact O-C 3.54Å; L111-K114 WeakPolarHBondContact O-CB 3.46Å; L111-K114 PolarHBondContact O-N 3.04Å; L112-K114 VanDerWaalsContact C-N 3.35Å; L112-K114 PolarHBondContact O-N 3.29Å; K114-V117 PolarHBondContact O-N 3.41Å; K114-F118 WeakPolarHBondContact O-CB 3.2Å; K114-F118 PolarHBondContact O-N 3.22Å; K114-D272 IonicContact NZ-OD2 2.91Å; K114-Y301 HydrophobicContact CB-CE1 3.94Å; K114-Y301 HydrophobicContact CD-CE1 4.34Å; K114-Y301 VanDerWaalsContact CD-O 3.31Å; K114-Y301 WeakPolarHBondContact CD-O 3.31Å; K114-Y301 VanDerWaalsContact CE-CZ 3.41Å; K114-Y301 WeakPolarHBondContact CE-O 3.26Å; K114-Y301 HydrophobicContact CG-CD1 4.17Å; K114-Y301 HydrophobicContact CG-CE1 3.72Å; K114-Y301 PolarHBondContact NZ-O 2.79Å; K114-F302 HydrophobicContact CG-CD1 3.83Å; K114-F302 HydrophobicContact CG-CE1 4.11Å; K114-F302 WeakPolarHBondContact O-CE1 3.5Å; K114-T305 HydrophobicContact CG-CG2 4.26Å
115K79.8Confident86Confident77 Ų7738.3 Ų38.334%0.33520%0.2SC..Hα-helixtrans-61.4-47.3177.2179.9-175.3175.1-168.90110.8L111 L112 V113 F118 Q119 G148L111-K115 WeakPolarHBondContact O-CB 3.42Å; L111-K115 PolarHBondContact O-N 3.39Å; L112-K115 HydrophobicContact CD1-CD 4.42Å; L112-K115 WeakPolarHBondContact O-CB 3.5Å; L112-K115 PolarHBondContact O-N 3.01Å; V113-K115 VanDerWaalsContact C-N 3.34Å; V113-K115 PolarHBondContact O-N 3.36Å; K115-F118 WeakPolarHBondContact O-CB 3.48Å; K115-F118 PolarHBondContact O-N 3.09Å; K115-Q119 WeakPolarHBondContact O-CB 3.22Å; K115-Q119 WeakPolarHBondContact O-CG 3.3Å; K115-Q119 PolarHBondContact O-N 2.78Å; K115-G148 VanDerWaalsContact CE-O 3.24Å; K115-G148 WeakPolarHBondContact CE-O 3.41Å; K115-G148 PolarHBondContact NZ-O 3.21Å; K115-G148 VanDerWaalsContact NZ-O 3.14Å
116F91.2Very high86.3Confident3 Ų332.5 Ų32.51%0.01317%0.168CC..Hα-helixtrans-66.4-40.8179-72.1-3.9000112L95 M108 L112 V113 F118 Q119 M120 I144 I150 M205L95-F116 HydrophobicContact CD1-CD2 4Å; L95-F116 HydrophobicContact CD1-CE2 4.09Å; M108-F116 HydrophobicContact CE-CD2 3.68Å; M108-F116 HydrophobicContact CE-CE2 3.77Å; L112-F116 HydrophobicContact CD1-CD1 4.11Å; L112-F116 HydrophobicContact CD1-CE1 3.55Å; L112-F116 HydrophobicContact CD1-CE2 4.12Å; L112-F116 HydrophobicContact CD1-CZ 3.55Å; L112-F116 HydrophobicContact CD2-CE2 4.25Å; L112-F116 HydrophobicContact CD2-CZ 4.27Å; L112-F116 HydrophobicContact CG-CD2 4.36Å; L112-F116 HydrophobicContact CG-CE1 4.27Å; L112-F116 HydrophobicContact CG-CE2 3.97Å; L112-F116 HydrophobicContact CG-CZ 3.93Å; L112-F116 WeakPolarHBondContact O-CG 3.33Å; L112-F116 PolarHBondContact O-N 3.4Å; V113-F116 PolarHBondContact O-N 2.99Å; F116-F118 VanDerWaalsContact C-N 3.32Å; F116-F118 PolarHBondContact O-N 2.95Å; F116-Q119 PolarHBondContact O-N 3.27Å; F116-M120 WeakPolarHBondContact O-CB 3.46Å; F116-M120 VanDerWaalsContact O-CG 3.31Å; F116-M120 WeakPolarHBondContact O-CG 3.15Å; F116-M120 PolarHBondContact O-N 3.36Å; F116-I144 HydrophobicContact CE2-CD1 3.79Å; F116-I144 HydrophobicContact CE2-CG1 4.38Å; F116-I144 HydrophobicContact CZ-CD1 3.87Å; F116-I144 HydrophobicContact CZ-CG1 4.18Å; F116-I144 HydrophobicContact CZ-CG2 4.18Å; F116-I150 HydrophobicContact CB-CD1 4.33Å; F116-I150 HydrophobicContact CB-CG1 3.87Å; F116-I150 HydrophobicContact CD1-CD1 4.16Å; F116-I150 HydrophobicContact CD1-CG1 3.47Å; F116-I150 VanDerWaalsContact CD1-CG1 3.47Å; F116-I150 HydrophobicContact CD2-CD1 3.87Å; F116-I150 HydrophobicContact CD2-CG1 4.07Å; F116-I150 HydrophobicContact CE1-CD1 4.41Å; F116-I150 HydrophobicContact CE1-CG1 3.95Å; F116-I150 HydrophobicContact CE2-CD1 4.16Å; F116-I150 HydrophobicContact CG-CD1 3.88Å; F116-I150 HydrophobicContact CG-CG1 3.54Å; F116-I150 HydrophobicContact CZ-CD1 4.41Å; F116-I150 HydrophobicContact CZ-CG1 4.44Å; F116-M205 HydrophobicContact CB-CE 4.21Å; F116-M205 HydrophobicContact CB-SD 3.99Å; F116-M205 HydrophobicContact CD2-SD 3.97Å
117V94Very high86.8Confident0 Ų028.7 Ų28.70%015%0.15CC..Hα-helixtrans-64.3-38.3174.4-173.40000111.2V113 K114 M120 A121 F202 M205 L278 M296 F302V113-V117 HydrophobicContact CG1-CG2 4.28Å; V113-V117 VanDerWaalsContact O-CG2 3.22Å; V113-V117 WeakPolarHBondContact O-CG2 3.48Å; V113-V117 PolarHBondContact O-N 3.26Å; K114-V117 PolarHBondContact O-N 3.41Å; V117-M120 HydrophobicContact CB-CE 4.4Å; V117-M120 HydrophobicContact CG2-CE 4.08Å; V117-M120 PolarHBondContact O-N 3.23Å; V117-A121 WeakPolarHBondContact O-CB 3.33Å; V117-A121 PolarHBondContact O-N 3.12Å; V117-F202 HydrophobicContact CG1-CD1 4.14Å; V117-F202 HydrophobicContact CG1-CG 4.23Å; V117-F202 HydrophobicContact CG2-CB 3.85Å; V117-F202 HydrophobicContact CG2-CD1 4.17Å; V117-F202 HydrophobicContact CG2-CD2 3.36Å; V117-F202 HydrophobicContact CG2-CE2 3.92Å; V117-F202 HydrophobicContact CG2-CG 3.53Å; V117-M205 HydrophobicContact CG2-CE 3.61Å; V117-L278 HydrophobicContact CG1-CD2 4.34Å; V117-M296 HydrophobicContact CG1-CE 4.28Å; V117-F302 HydrophobicContact CB-CE1 4.24Å; V117-F302 HydrophobicContact CB-CZ 4.16Å; V117-F302 HydrophobicContact CG1-CE1 4.36Å; V117-F302 HydrophobicContact CG1-CZ 3.82Å
118F87.9Confident87Confident49 Ų4925.7 Ų25.722%0.21514%0.135CC..Hα-helixtrans-63.8-44.5174.9-174-94.6000112.1K114 K115 F116 A121 T122 L297 F302K114-F118 WeakPolarHBondContact O-CB 3.2Å; K114-F118 PolarHBondContact O-N 3.22Å; K115-F118 WeakPolarHBondContact O-CB 3.48Å; K115-F118 PolarHBondContact O-N 3.09Å; F116-F118 VanDerWaalsContact C-N 3.32Å; F116-F118 PolarHBondContact O-N 2.95Å; F118-A121 WeakPolarHBondContact O-CB 3.27Å; F118-A121 PolarHBondContact O-N 3.25Å; F118-T122 WeakPolarHBondContact O-CB 3.4Å; F118-T122 PolarHBondContact O-N 2.8Å; F118-T122 PolarHBondContact O-OG1 3.3Å; F118-L297 HydrophobicContact CD2-CD2 3.89Å; F118-L297 HydrophobicContact CE1-CD2 4.46Å; F118-L297 HydrophobicContact CE2-CD2 3.62Å; F118-L297 HydrophobicContact CG-CD2 4.45Å; F118-L297 HydrophobicContact CZ-CD2 3.93Å; F118-F302 HydrophobicContact CB-CD1 3.86Å; F118-F302 HydrophobicContact CB-CE1 3.64Å; F118-F302 HydrophobicContact CB-CZ 4.12Å; F118-F302 HydrophobicContact CD2-CB 3.92Å; F118-F302 AromaticContact CD2-CD1 3.74Å; F118-F302 HydrophobicContact CD2-CD1 3.74Å; F118-F302 AromaticContact CD2-CD2 3.82Å; F118-F302 HydrophobicContact CD2-CD2 3.82Å; F118-F302 HydrophobicContact CD2-CE1 4.16Å; F118-F302 HydrophobicContact CD2-CE2 4.23Å; F118-F302 AromaticContact CD2-CG 3.56Å; F118-F302 HydrophobicContact CD2-CG 3.56Å; F118-F302 HydrophobicContact CD2-CZ 4.38Å; F118-F302 HydrophobicContact CE2-CB 4.26Å; F118-F302 HydrophobicContact CE2-CD2 4.46Å; F118-F302 HydrophobicContact CE2-CG 4.31Å; F118-F302 HydrophobicContact CG-CD1 4.28Å; F118-F302 HydrophobicContact CG-CE1 4.43Å
119Q88.9Confident87.1Confident22 Ų2228.3 Ų28.310%0.10315%0.154CC..Hα-helixtrans-63.8-41.6175.9-75.7175.7-5.700111.8N70 K115 F116 T122 G123 G148 I150N70-Q119 WeakPolarHBondContact ND2-CB 3.38Å; N70-Q119 PolarHBondContact OD1-O 3.46Å; K115-Q119 WeakPolarHBondContact O-CB 3.22Å; K115-Q119 WeakPolarHBondContact O-CG 3.3Å; K115-Q119 PolarHBondContact O-N 2.78Å; F116-Q119 PolarHBondContact O-N 3.27Å; Q119-T122 PolarHBondContact O-N 3.1Å; Q119-G123 PolarHBondContact O-N 2.94Å; Q119-G148 PolarHBondContact NE2-O 3.24Å; Q119-G148 VanDerWaalsContact NE2-O 3.16Å; Q119-G148 PolarHBondContact OE1-O 2.86Å; Q119-I150 HydrophobicContact CB-CB 4.17Å
120M96.7Very high87.5Confident1 Ų128.7 Ų28.71%0.00515%0.152CC..Hα-helixtrans-62.3-42.8172.7-71.8-170.8-73.500112F116 V117 T122 T124 L142 I150 F152 I198 I201 M205F116-M120 WeakPolarHBondContact O-CB 3.46Å; F116-M120 VanDerWaalsContact O-CG 3.31Å; F116-M120 WeakPolarHBondContact O-CG 3.15Å; F116-M120 PolarHBondContact O-N 3.36Å; V117-M120 HydrophobicContact CB-CE 4.4Å; V117-M120 HydrophobicContact CG2-CE 4.08Å; V117-M120 PolarHBondContact O-N 3.23Å; M120-T122 VanDerWaalsContact C-N 3.3Å; M120-T122 PolarHBondContact O-N 3.13Å; M120-T124 VanDerWaalsContact O-CB 3.23Å; M120-T124 WeakPolarHBondContact O-CB 3.3Å; M120-T124 PolarHBondContact O-N 2.9Å; M120-T124 PolarHBondContact O-OG1 3.2Å; M120-L142 HydrophobicContact CG-CD1 4.39Å; M120-L142 HydrophobicContact SD-CD1 3.47Å; M120-L142 WeakPolarHBondContact SD-CD1 3.17Å; M120-I150 HydrophobicContact CG-CG2 3.93Å; M120-F152 HydrophobicContact CB-CE1 4.15Å; M120-F152 HydrophobicContact CB-CZ 4.11Å; M120-F152 HydrophobicContact CG-CE1 3.93Å; M120-F152 HydrophobicContact CG-CZ 4.33Å; M120-F152 VanDerWaalsContact O-CZ 3.3Å; M120-F152 WeakPolarHBondContact O-CZ 3.46Å; M120-I198 HydrophobicContact CB-CG2 3.96Å; M120-I198 HydrophobicContact CE-CG2 4.02Å; M120-I198 HydrophobicContact SD-CG2 4.05Å; M120-I201 HydrophobicContact CE-CG2 4.06Å; M120-I201 HydrophobicContact SD-CG2 4.05Å; M120-M205 HydrophobicContact CE-CE 3.41Å; M120-M205 VanDerWaalsContact CE-CE 3.41Å
121A93.5Very high88Confident0 Ų026.4 Ų26.40%014%0.139CC..Hα-helixtrans-61-4117500000111.7V117 F118 S125 M296 L297V117-A121 WeakPolarHBondContact O-CB 3.33Å; V117-A121 PolarHBondContact O-N 3.12Å; F118-A121 WeakPolarHBondContact O-CB 3.27Å; F118-A121 PolarHBondContact O-N 3.25Å; A121-S125 VanDerWaalsContact O-CB 3.24Å; A121-S125 WeakPolarHBondContact O-CB 3.45Å; A121-S125 PolarHBondContact O-N 3.21Å; A121-M296 HydrophobicContact CB-CB 4Å; A121-M296 HydrophobicContact CB-CE 3.81Å; A121-M296 HydrophobicContact CB-SD 4.32Å; A121-L297 HydrophobicContact CB-CD2 3.67Å; A121-L297 HydrophobicContact CB-CG 4.07Å
122T89.2Confident89Confident36 Ų3623.9 Ų23.922%0.22113%0.126CC..Hα-helixtrans-64.4-53.2179.3-54.80000110.9F118 Q119 M120 T124 S125 F126 L297F118-T122 WeakPolarHBondContact O-CB 3.4Å; F118-T122 PolarHBondContact O-N 2.8Å; F118-T122 PolarHBondContact O-OG1 3.3Å; Q119-T122 PolarHBondContact O-N 3.1Å; M120-T122 VanDerWaalsContact C-N 3.3Å; M120-T122 PolarHBondContact O-N 3.13Å; T122-T124 VanDerWaalsContact C-N 3.34Å; T122-T124 PolarHBondContact O-N 3.36Å; T122-S125 PolarHBondContact O-N 3.29Å; T122-F126 PolarHBondContact O-N 2.84Å; T122-L297 WeakPolarHBondContact OG1-CD2 3.22Å
123G90.5Very high89.7Confident0 Ų022.8 Ų22.80%012%0.12CC..Hα-helixtrans-59.2-42.1176.400000113.3Q119 F126 C127Q119-G123 PolarHBondContact O-N 2.94Å; G123-F126 PolarHBondContact O-N 2.69Å; G123-C127 PolarHBondContact O-N 2.83Å; G123-C127 PolarHBondContact O-SG 3.41Å; G123-C127 VanDerWaalsContact O-SG 3.36Å
124T94.9Very high89.9Confident1 Ų122.8 Ų22.81%0.00612%0.12CC..Hα-helixtrans-67-42.4178.1-54.80000111.7M120 T122 F126 C127 H128 F152 D194 I195 I198 A293M120-T124 VanDerWaalsContact O-CB 3.23Å; M120-T124 WeakPolarHBondContact O-CB 3.3Å; M120-T124 PolarHBondContact O-N 2.9Å; M120-T124 PolarHBondContact O-OG1 3.2Å; T122-T124 VanDerWaalsContact C-N 3.34Å; T122-T124 PolarHBondContact O-N 3.36Å; T124-F126 VanDerWaalsContact C-N 3.27Å; T124-F126 PolarHBondContact O-N 2.79Å; T124-C127 PolarHBondContact O-N 3.44Å; T124-H128 WeakPolarHBondContact CG2-CE1 3.35Å; T124-H128 WeakPolarHBondContact CG2-NE2 3.46Å; T124-H128 VanDerWaalsContact O-CB 3.29Å; T124-H128 WeakPolarHBondContact O-CB 3.43Å; T124-H128 PolarHBondContact O-CD2 2.8Å; T124-H128 PolarHBondContact O-N 3.48Å; T124-F152 VanDerWaalsContact OG1-CE2 3.26Å; T124-F152 WeakPolarHBondContact OG1-CE2 3.5Å; T124-F152 VanDerWaalsContact OG1-CZ 3.31Å; T124-F152 WeakPolarHBondContact OG1-CZ 3.46Å; T124-D194 HydrophobicContact CG2-CB 4.19Å; T124-I195 HydrophobicContact CG2-CD1 4.15Å; T124-I198 HydrophobicContact CG2-CD1 3.89Å; T124-I198 WeakPolarHBondContact OG1-CD1 3.47Å; T124-A293 HydrophobicContact CG2-CB 3.87Å
125S90.8Very high90.1Very high28 Ų2821.5 Ų21.520%0.19611%0.114CC..Hα-helixtrans-60.6-39.8176.8-172.90000111.4A121 T122 S129A121-S125 VanDerWaalsContact O-CB 3.24Å; A121-S125 WeakPolarHBondContact O-CB 3.45Å; A121-S125 PolarHBondContact O-N 3.21Å; T122-S125 PolarHBondContact O-N 3.29Å; S125-S129 WeakPolarHBondContact O-CB 3.27Å; S125-S129 PolarHBondContact O-N 3.16Å
126F89Confident90.6Very high32 Ų3218.1 Ų18.114%0.1410%0.1CC..Hα-helixtrans-66.9-43.4176.5176.4-93.5000113.2L65 H68 T122 G123 T124 S129 R130L65-F126 HydrophobicContact CB-CE1 4.31Å; L65-F126 HydrophobicContact CD2-CD1 3.94Å; L65-F126 HydrophobicContact CD2-CE1 3.63Å; H68-F126 HydrophobicContact CB-CD1 3.66Å; H68-F126 HydrophobicContact CB-CD2 4.3Å; H68-F126 HydrophobicContact CB-CE1 3.44Å; H68-F126 VanDerWaalsContact CB-CE1 3.44Å; H68-F126 HydrophobicContact CB-CE2 4.07Å; H68-F126 HydrophobicContact CB-CG 4.08Å; H68-F126 HydrophobicContact CB-CZ 3.66Å; H68-F126 AromaticContact CD2-CD1 3.76Å; H68-F126 AromaticContact CD2-CD2 3.22Å; H68-F126 WeakPolarHBondContact CD2-CD2 3.04Å; H68-F126 AromaticContact CD2-CE2 3.68Å; H68-F126 AromaticContact CD2-CG 3.24Å; H68-F126 WeakPolarHBondContact CD2-CG 3.49Å; H68-F126 AromaticContact CG-CD1 3.61Å; H68-F126 AromaticContact CG-CD2 3.92Å; H68-F126 AromaticContact CG-CE1 3.92Å; H68-F126 AromaticContact CG-CG 3.6Å; H68-F126 AromaticContact NE2-CD2 3.97Å; H68-F126 AromaticContact NE2-CG 3.79Å; T122-F126 PolarHBondContact O-N 2.84Å; G123-F126 PolarHBondContact O-N 2.69Å; T124-F126 VanDerWaalsContact C-N 3.27Å; T124-F126 PolarHBondContact O-N 2.79Å; F126-S129 PolarHBondContact O-OG 3.12Å; F126-R130 VanDerWaalsContact CZ-NH2 3.29Å
127C91.5Very high90.7Very high2 Ų218 Ų181%0.01410%0.1CC..Hα-helixtrans-62.6-47.3174.3-71.10000110.9G123 T124 S129 R130 G131 I132G123-C127 PolarHBondContact O-N 2.83Å; G123-C127 PolarHBondContact O-SG 3.41Å; G123-C127 VanDerWaalsContact O-SG 3.36Å; T124-C127 PolarHBondContact O-N 3.44Å; C127-S129 PolarHBondContact O-N 3.4Å; C127-R130 PolarHBondContact O-N 3.03Å; C127-R130 VanDerWaalsContact O-N 3.1Å; C127-G131 PolarHBondContact O-N 3.27Å; C127-I132 CarbonylContact C-O 3.58Å; C127-I132 VanDerWaalsContact C-O 3.3Å; C127-I132 HydrophobicContact CB-CB 4.41Å; C127-I132 WeakPolarHBondContact O-CB 3.37Å; C127-I132 PolarHBondContact O-N 3.42Å
128H90.4Very high90.6Very high34 Ų3419.5 Ų19.516%0.15711%0.106CC..Hα-helixtrans-65.6-35.3-177.5-71.2-174.7000112.5T124 R130 G131 I132 A191 D194T124-H128 WeakPolarHBondContact CG2-CE1 3.35Å; T124-H128 WeakPolarHBondContact CG2-NE2 3.46Å; T124-H128 VanDerWaalsContact O-CB 3.29Å; T124-H128 WeakPolarHBondContact O-CB 3.43Å; T124-H128 PolarHBondContact O-CD2 2.8Å; T124-H128 PolarHBondContact O-N 3.48Å; H128-R130 PolarHBondContact O-N 2.73Å; H128-G131 WeakPolarHBondContact O-CA 3.17Å; H128-G131 PolarHBondContact O-N 2.93Å; H128-I132 PolarHBondContact CD2-O 3.33Å; H128-A191 VanDerWaalsContact CE1-CB 3.5Å; H128-A191 WeakPolarHBondContact CE1-CB 3.49Å; H128-A191 PolarHBondContact CE1-O 3.23Å; H128-A191 VanDerWaalsContact CE1-O 3.24Å; H128-A191 WeakPolarHBondContact ND1-CB 3.4Å; H128-D194 IonicContact CD2-OD2 2.72Å; H128-D194 IonicContact CE1-OD2 3.56Å; H128-D194 IonicContact NE2-OD2 2.77Å; H128-D194 PolarHBondContact NE2-OD2 3.2Å
129S87.2Confident90.9Very high67 Ų6717.1 Ų17.147%0.46910%0.096SC..Hα-helixtrans-64.3-22.9175.471.50000113.1S125 F126 C127 G131S125-S129 WeakPolarHBondContact O-CB 3.27Å; S125-S129 PolarHBondContact O-N 3.16Å; F126-S129 PolarHBondContact O-OG 3.12Å; C127-S129 PolarHBondContact O-N 3.4Å; S129-G131 VanDerWaalsContact C-N 3.33Å
130R87.6Confident91.1Very high65 Ų6518 Ų1825%0.24510%0.1CC..THydrogen-bonded Turntrans-914.7172.2-71.6165.7172.464.53113.6Q64 F126 C127 H128 I132Q64-R130 WeakPolarHBondContact O-CD 3.48Å; Q64-R130 PolarHBondContact O-NE 3.21Å; F126-R130 VanDerWaalsContact CZ-NH2 3.29Å; C127-R130 PolarHBondContact O-N 3.03Å; C127-R130 VanDerWaalsContact O-N 3.1Å; H128-R130 PolarHBondContact O-N 2.73Å; R130-I132 HydrophobicContact CB-CD1 3.91Å; R130-I132 HydrophobicContact CB-CG1 4.25Å; R130-I132 PolarHBondContact O-N 2.95Å
131G87.4Confident90.9Very high21 Ų2118.6 Ų18.622%0.21610%0.103CC..THydrogen-bonded Turntrans68.719.4-173.800000113.3C127 H128 S129 K160 V161C127-G131 PolarHBondContact O-N 3.27Å; H128-G131 WeakPolarHBondContact O-CA 3.17Å; H128-G131 PolarHBondContact O-N 2.93Å; S129-G131 VanDerWaalsContact C-N 3.33Å; G131-K160 CarbonylContact O-C 3.59Å; G131-K160 VanDerWaalsContact O-CA 3.31Å; G131-K160 WeakPolarHBondContact O-CA 3.24Å; G131-V161 PolarHBondContact O-N 2.94Å
132I89.8Confident91.1Very high0 Ų018.6 Ų18.60%010%0.103CC..EExtended strand (participates in β ladder)trans-94.9123.8-179.7-65.6161.9000109.1I61 Q64 L65 C127 H128 R130 A158 R159 K160I61-I132 HydrophobicContact CG2-CD1 4.21Å; I61-I132 HydrophobicContact CG2-CG2 3.84Å; Q64-I132 HydrophobicContact CB-CD1 4.16Å; L65-I132 HydrophobicContact CD1-CD1 4.28Å; L65-I132 HydrophobicContact CD1-CG2 4.36Å; L65-I132 HydrophobicContact CD2-CD1 3.61Å; L65-I132 HydrophobicContact CG-CD1 3.85Å; C127-I132 CarbonylContact C-O 3.58Å; C127-I132 VanDerWaalsContact C-O 3.3Å; C127-I132 HydrophobicContact CB-CB 4.41Å; C127-I132 WeakPolarHBondContact O-CB 3.37Å; C127-I132 PolarHBondContact O-N 3.42Å; H128-I132 PolarHBondContact CD2-O 3.33Å; R130-I132 HydrophobicContact CB-CD1 3.91Å; R130-I132 HydrophobicContact CB-CG1 4.25Å; R130-I132 PolarHBondContact O-N 2.95Å; I132-A158 HydrophobicContact CG2-CB 4.46Å; I132-R159 WeakPolarHBondContact CA-O 3.39Å; I132-K160 HydrophobicContact CG1-CG 4.5Å
133L91.5Very high91.4Very high8 Ų819 Ų194%0.04210%0.101CC..EExtended strand (participates in β ladder)trans-103.1132.8171.5-53.7-171000109.3R135 A158 R159 V161 A191 D194L133-R135 HydrophobicContact CB-CG 3.83Å; L133-A158 CarbonylContact O-C 3.56Å; L133-A158 WeakPolarHBondContact O-CA 3.45Å; L133-A158 VanDerWaalsContact O-CB 3.32Å; L133-A158 WeakPolarHBondContact O-CB 3.47Å; L133-R159 PolarHBondContact N-O 2.98Å; L133-R159 PolarHBondContact O-N 2.88Å; L133-V161 HydrophobicContact CD1-CG2 3.59Å; L133-V161 HydrophobicContact CG-CG2 3.74Å; L133-A191 HydrophobicContact CD2-CB 3.99Å; L133-D194 WeakPolarHBondContact CA-OD2 3.49Å
134H92.4Very high91.4Very high2 Ų219.9 Ų19.91%0.00911%0.106CC..  trans-77.2-46.6-176.9-169.6-55.6000112.3D136 L137 S153 N154 F155 A158 D194H134-D136 PolarHBondContact CE1-O 3.44Å; H134-D136 PolarHBondContact ND1-N 3.28Å; H134-D136 PolarHBondContact O-N 3.25Å; H134-L137 HydrophobicContact CB-CD1 4.42Å; H134-L137 HydrophobicContact CB-CD2 4.18Å; H134-L137 HydrophobicContact CB-CG 3.97Å; H134-L137 VanDerWaalsContact CD2-CD2 3.49Å; H134-L137 WeakPolarHBondContact CD2-CD2 3.38Å; H134-S153 PolarHBondContact CE1-O 2.95Å; H134-S153 VanDerWaalsContact CE1-O 3.24Å; H134-S153 PolarHBondContact NE2-O 2.8Å; H134-N154 PolarHBondContact CE1-O 3.42Å; H134-F155 AromaticContact CD2-CE1 3.69Å; H134-F155 AromaticContact CD2-CZ 3.77Å; H134-A158 WeakPolarHBondContact O-CA 3.46Å; H134-A158 PolarHBondContact O-N 3.44Å; H134-D194 PolarHBondContact N-OD1 2.91Å; H134-D194 PolarHBondContact N-OD2 3.08Å
135R88.8Confident91Very high4 Ų420.7 Ų20.72%0.01511%0.11CC..  trans63.73.7173.1-49179.261.1-141.42.8116.9L133 E157 G169 L193 D194L133-R135 HydrophobicContact CB-CG 3.83Å; R135-E157 HydrophobicContact CB-CB 4.47Å; R135-E157 WeakPolarHBondContact CD-O 3.41Å; R135-E157 PolarHBondContact NH1-O 2.83Å; R135-G169 PolarHBondContact NH2-O 3.29Å; R135-L193 HydrophobicContact CB-CD2 4.27Å; R135-L193 HydrophobicContact CG-CD2 4.2Å; R135-D194 PolarHBondContact N-OD1 3.05Å
136D89.9Confident90.4Very high6 Ų626.5 Ų26.53%0.03214%0.139CC..  trans-145.442.5175-169.829.8000111.3H134 K138 N141 E157 S173H134-D136 PolarHBondContact CE1-O 3.44Å; H134-D136 PolarHBondContact ND1-N 3.28Å; H134-D136 PolarHBondContact O-N 3.25Å; D136-K138 IonicContact OD1-NZ 2.66Å; D136-K138 PolarHBondContact OD1-NZ 2.96Å; D136-K138 IonicContact OD2-NZ 2.78Å; D136-K138 PolarHBondContact OD2-NZ 2.81Å; D136-N141 PolarHBondContact O-ND2 2.66Å; D136-N141 PolarHBondContact OD2-ND2 2.76Å; D136-E157 HydrophobicContact CB-CB 4.09Å; D136-E157 HydrophobicContact CB-CG 4.38Å; D136-S173 WeakPolarHBondContact CA-OG 3.37Å; D136-S173 VanDerWaalsContact OD1-CA 3.3Å; D136-S173 WeakPolarHBondContact OD1-CA 3.35Å; D136-S173 PolarHBondContact OD1-N 3.05Å; D136-S173 PolarHBondContact OD1-OG 2.86Å
137L92.8Very high89.7Confident1 Ų131.9 Ų31.91%0.00516%0.163CC..  trans-69.9135.3171.2-68.8173.3000108.7H134 L142 F152 D194 T197 I198 I201H134-L137 HydrophobicContact CB-CD1 4.42Å; H134-L137 HydrophobicContact CB-CD2 4.18Å; H134-L137 HydrophobicContact CB-CG 3.97Å; H134-L137 VanDerWaalsContact CD2-CD2 3.49Å; H134-L137 WeakPolarHBondContact CD2-CD2 3.38Å; L137-L142 HydrophobicContact CD2-CD2 4.23Å; L137-F152 HydrophobicContact CD1-CE2 4.43Å; L137-F152 HydrophobicContact CD2-CD2 3.92Å; L137-F152 HydrophobicContact CD2-CE2 3.99Å; L137-F152 HydrophobicContact CD2-CG 4.23Å; L137-F152 HydrophobicContact CD2-CZ 4.39Å; L137-D194 HydrophobicContact CD1-CB 3.93Å; L137-T197 HydrophobicContact CB-CG2 3.64Å; L137-T197 WeakPolarHBondContact O-CG2 3.45Å; L137-I198 HydrophobicContact CD1-CD1 3.91Å; L137-I198 HydrophobicContact CD1-CG1 3.67Å; L137-I201 HydrophobicContact CB-CD1 4.3Å
138K92.2Very high89Confident30 Ų3032.6 Ų32.613%0.1317%0.17CC..  trans-166.2158.9173.254.4-176.6176.7-1170108.1D136 E140 N141 L142 G172 Y177D136-K138 IonicContact OD1-NZ 2.66Å; D136-K138 PolarHBondContact OD1-NZ 2.96Å; D136-K138 IonicContact OD2-NZ 2.78Å; D136-K138 PolarHBondContact OD2-NZ 2.81Å; K138-E140 WeakPolarHBondContact CB-OE2 3.33Å; K138-E140 WeakPolarHBondContact CD-OE2 3.35Å; K138-E140 HydrophobicContact CG-CB 4.39Å; K138-E140 WeakPolarHBondContact CG-OE2 3.2Å; K138-E140 PolarHBondContact O-N 3.26Å; K138-E140 VanDerWaalsContact O-N 3.09Å; K138-N141 WeakPolarHBondContact CE-ND2 3.25Å; K138-N141 HydrophobicContact CG-CB 4.02Å; K138-N141 PolarHBondContact O-N 3.39Å; K138-L142 PolarHBondContact O-N 3.43Å; K138-G172 PolarHBondContact NZ-O 3.27Å; K138-Y177 HydrophobicContact CB-CD2 3.96Å; K138-Y177 HydrophobicContact CB-CE2 3.8Å
139P94.2Very high88.6Confident0 Ų032.2 Ų32.20%017%0.17CC..G310 helixtrans-55.2-30.1-178.3-27.137.2000113.7L95 K96 N141 L142 Y177 I201L95-P139 HydrophobicContact CB-CB 4.18Å; L95-P139 WeakPolarHBondContact CB-O 3.42Å; L95-P139 HydrophobicContact CD2-CB 4.35Å; L95-P139 HydrophobicContact CG-CB 4.23Å; L95-P139 PolarHBondContact N-O 3.31Å; K96-P139 HydrophobicContact CB-CB 3.86Å; K96-P139 HydrophobicContact CD-CB 4.28Å; K96-P139 PolarHBondContact N-O 3.46Å; P139-N141 VanDerWaalsContact C-N 3.31Å; P139-N141 PolarHBondContact O-N 3.11Å; P139-L142 PolarHBondContact O-N 2.75Å; P139-Y177 VanDerWaalsContact CD-CZ 3.48Å; P139-Y177 WeakPolarHBondContact CD-OH 3.48Å; P139-Y177 WeakPolarHBondContact CG-OH 3.34Å; P139-I201 HydrophobicContact CG-CG1 4.26Å; P139-I201 HydrophobicContact CG-CG2 4.44Å
140E92.7Very high88.7Confident41 Ų4129 Ų2919%0.19215%0.148CC..G310 helixtrans-70.3-24.5176.3-57.889.7158.100113.7K96 K138 K174K96-E140 HydrophobicContact CB-CG 3.9Å; K96-E140 HydrophobicContact CG-CG 4.16Å; K138-E140 WeakPolarHBondContact CB-OE2 3.33Å; K138-E140 WeakPolarHBondContact CD-OE2 3.35Å; K138-E140 HydrophobicContact CG-CB 4.39Å; K138-E140 WeakPolarHBondContact CG-OE2 3.2Å; K138-E140 PolarHBondContact O-N 3.26Å; K138-E140 VanDerWaalsContact O-N 3.09Å; E140-K174 IonicContact OE1-NZ 3.94Å; E140-K174 PolarHBondContact OE1-NZ 3.27Å
141N93.7Very high89Confident12 Ų1226.6 Ų26.66%0.06414%0.139CC..G310 helixtrans-98.49.7178.9-72.1-15000112.3D136 K138 P139 S153 N154D136-N141 PolarHBondContact O-ND2 2.66Å; D136-N141 PolarHBondContact OD2-ND2 2.76Å; K138-N141 WeakPolarHBondContact CE-ND2 3.25Å; K138-N141 HydrophobicContact CG-CB 4.02Å; K138-N141 PolarHBondContact O-N 3.39Å; P139-N141 VanDerWaalsContact C-N 3.31Å; P139-N141 PolarHBondContact O-N 3.11Å; N141-S153 WeakPolarHBondContact CA-OG 3.34Å; N141-S153 PolarHBondContact O-N 3.28Å; N141-S153 PolarHBondContact O-OG 3.2Å; N141-N154 HydrophobicContact CB-CB 4.37Å; N141-N154 PolarHBondContact ND2-ND2 3.15Å; N141-N154 WeakPolarHBondContact OD1-CB 3.27Å; N141-N154 PolarHBondContact OD1-ND2 2.81Å; N141-N154 VanDerWaalsContact OD1-ND2 3.13Å
142L96.5Very high89.4Confident1 Ų125.7 Ų25.71%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-115.6105.7176-67.1174.4000108.9N94 L95 M120 L137 K138 P139 I150 F152 I201N94-L142 CarbonylContact C-O 3.25Å; N94-L142 VanDerWaalsContact CA-O 3.29Å; N94-L142 WeakPolarHBondContact CA-O 3.47Å; L95-L142 HydrophobicContact CB-CB 4.05Å; L95-L142 HydrophobicContact CD2-CB 4.45Å; L95-L142 HydrophobicContact CD2-CD1 3.87Å; L95-L142 PolarHBondContact N-O 2.84Å; M120-L142 HydrophobicContact CG-CD1 4.39Å; M120-L142 HydrophobicContact SD-CD1 3.47Å; M120-L142 WeakPolarHBondContact SD-CD1 3.17Å; L137-L142 HydrophobicContact CD2-CD2 4.23Å; K138-L142 PolarHBondContact O-N 3.43Å; P139-L142 PolarHBondContact O-N 2.75Å; L142-I150 HydrophobicContact CB-CG2 4.36Å; L142-I150 HydrophobicContact CD2-CG2 3.94Å; L142-F152 HydrophobicContact CD2-CD1 3.4Å; L142-F152 VanDerWaalsContact CD2-CD1 3.4Å; L142-F152 HydrophobicContact CD2-CE1 3.63Å; L142-F152 HydrophobicContact CD2-CG 4.21Å; L142-I201 HydrophobicContact CD1-CD1 3.81Å; L142-I201 HydrophobicContact CD1-CG2 4.07Å
143F96.1Very high89.6Confident43 Ų4326.1 Ų26.119%0.18913%0.132CC..EExtended strand (participates in β ladder)trans-91.5150.6179.5-77.8-99.8000111.6L91 M93 N94 I150 K151 S153L91-F143 HydrophobicContact CB-CB 3.92Å; L91-F143 HydrophobicContact CB-CD1 3.56Å; L91-F143 HydrophobicContact CB-CE1 4.46Å; L91-F143 HydrophobicContact CB-CG 4.07Å; L91-F143 HydrophobicContact CD1-CB 3.48Å; L91-F143 VanDerWaalsContact CD1-CB 3.48Å; L91-F143 HydrophobicContact CD1-CG 4.32Å; L91-F143 HydrophobicContact CG-CB 4.34Å; L91-F143 WeakPolarHBondContact O-CD1 3.25Å; L91-F143 VanDerWaalsContact O-CE1 3.31Å; L91-F143 WeakPolarHBondContact O-CE1 3.08Å; M93-F143 WeakPolarHBondContact O-CA 3.34Å; M93-F143 WeakPolarHBondContact O-CD1 3.48Å; N94-F143 HydrophobicContact CB-CD1 4.14Å; N94-F143 HydrophobicContact CB-CD2 4.38Å; N94-F143 HydrophobicContact CB-CE1 4.1Å; N94-F143 HydrophobicContact CB-CE2 4.31Å; N94-F143 HydrophobicContact CB-CG 4.3Å; N94-F143 HydrophobicContact CB-CZ 4.19Å; F143-I150 CarbonylContact O-C 3.54Å; F143-I150 VanDerWaalsContact O-CA 3.27Å; F143-I150 WeakPolarHBondContact O-CA 3.28Å; F143-K151 PolarHBondContact N-O 3.25Å; F143-K151 PolarHBondContact O-N 3.32Å; F143-S153 WeakPolarHBondContact CD2-OG 3.46Å; F143-S153 VanDerWaalsContact CE2-OG 3.28Å; F143-S153 WeakPolarHBondContact CE2-OG 3.32Å
144I90.2Very high89.5Confident19 Ų1927.2 Ų27.210%0.09714%0.138CC..EExtended strand (participates in β ladder)trans-114.1123.4176.7-55.5164.9000107.1M93 L95 Y98 F116 V149 I150M93-I144 PolarHBondContact O-N 2.91Å; L95-I144 HydrophobicContact CD1-CD1 4.25Å; Y98-I144 HydrophobicContact CD1-CD1 4.44Å; Y98-I144 HydrophobicContact CD2-CD1 4.21Å; Y98-I144 HydrophobicContact CG-CD1 3.9Å; F116-I144 HydrophobicContact CE2-CD1 3.79Å; F116-I144 HydrophobicContact CE2-CG1 4.38Å; F116-I144 HydrophobicContact CZ-CD1 3.87Å; F116-I144 HydrophobicContact CZ-CG1 4.18Å; F116-I144 HydrophobicContact CZ-CG2 4.18Å; I144-V149 WeakPolarHBondContact CA-O 3.44Å; I144-I150 HydrophobicContact CD1-CD1 4.36Å; I144-I150 HydrophobicContact CG1-CD1 3.67Å
145D85.5Confident89.5Confident19 Ų1927.1 Ų27.110%0.10214%0.138CC..  trans-82.4175174.476.27.9000113.1L91 K147 G148 V149 K151L91-D145 HydrophobicContact CD2-CB 3.76Å; D145-K147 PolarHBondContact O-N 2.86Å; D145-K147 WeakPolarHBondContact OD1-CA 3.37Å; D145-K147 WeakPolarHBondContact OD1-CB 3.49Å; D145-K147 PolarHBondContact OD1-N 3.38Å; D145-G148 PolarHBondContact O-N 2.97Å; D145-G148 PolarHBondContact OD1-N 3.26Å; D145-G148 VanDerWaalsContact OD1-N 3.15Å; D145-V149 PolarHBondContact N-O 3.34Å; D145-V149 WeakPolarHBondContact OD1-CB 3.39Å; D145-V149 PolarHBondContact OD1-N 2.95Å; D145-K151 VanDerWaalsContact OD2-CE 3.31Å; D145-K151 WeakPolarHBondContact OD2-CE 3.4Å; D145-K151 IonicContact OD2-NZ 3.98Å
146D79.4Confident89.5Confident149 Ų14927 Ų2780%0.79714%0.137SC*.THydrogen-bonded Turntrans-61.1-13.7179.763.9-34000113.9
147K73.7Confident89.3Confident146 Ų14628 Ų2864%0.63514%0.141SC*.THydrogen-bonded Turntrans-1023.3177.6-60171-169166.40112.4D145 V149D145-K147 PolarHBondContact O-N 2.86Å; D145-K147 WeakPolarHBondContact OD1-CA 3.37Å; D145-K147 WeakPolarHBondContact OD1-CB 3.49Å; D145-K147 PolarHBondContact OD1-N 3.38Å; K147-V149 HydrophobicContact CB-CG2 4.29Å
148G76.5Confident89.2Confident16 Ų1627.9 Ų27.917%0.16514%0.141CC..SBendtrans68.738.9-175.900000112.4K115 Q119 D145K115-G148 VanDerWaalsContact CE-O 3.24Å; K115-G148 WeakPolarHBondContact CE-O 3.41Å; K115-G148 PolarHBondContact NZ-O 3.21Å; K115-G148 VanDerWaalsContact NZ-O 3.14Å; Q119-G148 PolarHBondContact NE2-O 3.24Å; Q119-G148 VanDerWaalsContact NE2-O 3.16Å; Q119-G148 PolarHBondContact OE1-O 2.86Å; D145-G148 PolarHBondContact O-N 2.97Å; D145-G148 PolarHBondContact OD1-N 3.26Å; D145-G148 VanDerWaalsContact OD1-N 3.15Å
149V81.9Confident88.9Confident26 Ų2628.7 Ų28.716%0.15814%0.143CC..  trans-100124.6170.2-1750000109.8N69 N70 I144 D145 K147N69-V149 WeakPolarHBondContact O-CG1 3.49Å; N70-V149 WeakPolarHBondContact ND2-CG1 3.25Å; I144-V149 WeakPolarHBondContact CA-O 3.44Å; D145-V149 PolarHBondContact N-O 3.34Å; D145-V149 WeakPolarHBondContact OD1-CB 3.39Å; D145-V149 PolarHBondContact OD1-N 2.95Å; K147-V149 HydrophobicContact CB-CG2 4.29Å
150I90.2Very high88.4Confident0 Ų033.8 Ų33.80%017%0.166CC..EExtended strand (participates in β ladder)trans-72.2129.1171.1-70.7-82.4000109.5N70 L95 F116 Q119 M120 L142 F143 I144 F152N70-I150 VanDerWaalsContact CA-O 3.26Å; N70-I150 WeakPolarHBondContact CA-O 3.44Å; N70-I150 WeakPolarHBondContact CB-O 3.46Å; N70-I150 PolarHBondContact ND2-O 3.05Å; L95-I150 HydrophobicContact CD1-CD1 4.49Å; F116-I150 HydrophobicContact CB-CD1 4.33Å; F116-I150 HydrophobicContact CB-CG1 3.87Å; F116-I150 HydrophobicContact CD1-CD1 4.16Å; F116-I150 HydrophobicContact CD1-CG1 3.47Å; F116-I150 VanDerWaalsContact CD1-CG1 3.47Å; F116-I150 HydrophobicContact CD2-CD1 3.87Å; F116-I150 HydrophobicContact CD2-CG1 4.07Å; F116-I150 HydrophobicContact CE1-CD1 4.41Å; F116-I150 HydrophobicContact CE1-CG1 3.95Å; F116-I150 HydrophobicContact CE2-CD1 4.16Å; F116-I150 HydrophobicContact CG-CD1 3.88Å; F116-I150 HydrophobicContact CG-CG1 3.54Å; F116-I150 HydrophobicContact CZ-CD1 4.41Å; F116-I150 HydrophobicContact CZ-CG1 4.44Å; Q119-I150 HydrophobicContact CB-CB 4.17Å; M120-I150 HydrophobicContact CG-CG2 3.93Å; L142-I150 HydrophobicContact CB-CG2 4.36Å; L142-I150 HydrophobicContact CD2-CG2 3.94Å; F143-I150 CarbonylContact O-C 3.54Å; F143-I150 VanDerWaalsContact O-CA 3.27Å; F143-I150 WeakPolarHBondContact O-CA 3.28Å; I144-I150 HydrophobicContact CD1-CD1 4.36Å; I144-I150 HydrophobicContact CG1-CD1 3.67Å; I150-F152 HydrophobicContact CG2-CD1 4.34Å; I150-F152 HydrophobicContact CG2-CE1 4.21Å
151K94.6Very high87.6Confident15 Ų1533.3 Ų33.37%0.06517%0.165CC..EExtended strand (participates in β ladder)trans-124.4129.3178.3-54.6-152.3-174.8-168.50112N69 E89 L91 F143 D145N69-K151 WeakPolarHBondContact O-CG 3.48Å; E89-K151 VanDerWaalsContact CD-NZ 3.3Å; E89-K151 WeakPolarHBondContact OE1-CD 3.22Å; E89-K151 WeakPolarHBondContact OE1-CE 3.37Å; E89-K151 IonicContact OE1-NZ 3.33Å; E89-K151 PolarHBondContact OE1-NZ 3.28Å; E89-K151 IonicContact OE2-NZ 2.92Å; E89-K151 PolarHBondContact OE2-NZ 3.44Å; L91-K151 HydrophobicContact CD1-CB 4.24Å; L91-K151 HydrophobicContact CD1-CD 3.98Å; L91-K151 HydrophobicContact CD1-CG 4.23Å; F143-K151 PolarHBondContact N-O 3.25Å; F143-K151 PolarHBondContact O-N 3.32Å; D145-K151 VanDerWaalsContact OD2-CE 3.31Å; D145-K151 WeakPolarHBondContact OD2-CE 3.4Å; D145-K151 IonicContact OD2-NZ 3.98Å
152F95.7Very high86Confident1 Ų143.6 Ų43.60%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-76.5130.1179.8-67.713.9000108.6N70 I72 M120 T124 L137 L142 I150 F155N70-F152 WeakPolarHBondContact O-CB 3.41Å; N70-F152 WeakPolarHBondContact O-CD1 3.17Å; N70-F152 WeakPolarHBondContact O-CG 3.28Å; N70-F152 PolarHBondContact O-N 3.04Å; I72-F152 VanDerWaalsContact CB-O 3.28Å; I72-F152 WeakPolarHBondContact CB-O 3.48Å; I72-F152 VanDerWaalsContact CG2-O 3.31Å; I72-F152 WeakPolarHBondContact CG2-O 3.26Å; I72-F152 PolarHBondContact N-O 2.96Å; M120-F152 HydrophobicContact CB-CE1 4.15Å; M120-F152 HydrophobicContact CB-CZ 4.11Å; M120-F152 HydrophobicContact CG-CE1 3.93Å; M120-F152 HydrophobicContact CG-CZ 4.33Å; M120-F152 VanDerWaalsContact O-CZ 3.3Å; M120-F152 WeakPolarHBondContact O-CZ 3.46Å; T124-F152 VanDerWaalsContact OG1-CE2 3.26Å; T124-F152 WeakPolarHBondContact OG1-CE2 3.5Å; T124-F152 VanDerWaalsContact OG1-CZ 3.31Å; T124-F152 WeakPolarHBondContact OG1-CZ 3.46Å; L137-F152 HydrophobicContact CD1-CE2 4.43Å; L137-F152 HydrophobicContact CD2-CD2 3.92Å; L137-F152 HydrophobicContact CD2-CE2 3.99Å; L137-F152 HydrophobicContact CD2-CG 4.23Å; L137-F152 HydrophobicContact CD2-CZ 4.39Å; L142-F152 HydrophobicContact CD2-CD1 3.4Å; L142-F152 VanDerWaalsContact CD2-CD1 3.4Å; L142-F152 HydrophobicContact CD2-CE1 3.63Å; L142-F152 HydrophobicContact CD2-CG 4.21Å; I150-F152 HydrophobicContact CG2-CD1 4.34Å; I150-F152 HydrophobicContact CG2-CE1 4.21Å; F152-F155 HydrophobicContact CB-CE2 4.06Å; F152-F155 HydrophobicContact CB-CZ 3.84Å; F152-F155 WeakPolarHBondContact O-CE2 3.18Å
153S93.3Very high83.9Confident9 Ų950.7 Ų50.76%0.06324%0.24CC..  trans-127170.7177.281.60000111.1H134 N141 F143H134-S153 PolarHBondContact CE1-O 2.95Å; H134-S153 VanDerWaalsContact CE1-O 3.24Å; H134-S153 PolarHBondContact NE2-O 2.8Å; N141-S153 WeakPolarHBondContact CA-OG 3.34Å; N141-S153 PolarHBondContact O-N 3.28Å; N141-S153 PolarHBondContact O-OG 3.2Å; F143-S153 WeakPolarHBondContact CD2-OG 3.46Å; F143-S153 VanDerWaalsContact CE2-OG 3.28Å; F143-S153 WeakPolarHBondContact CE2-OG 3.32Å
154N90.1Very high81.3Confident31 Ų3154.2 Ų54.217%0.16627%0.267CS..  trans61.472.8177.7-168.58.5000114H134 N141 T156H134-N154 PolarHBondContact CE1-O 3.42Å; N141-N154 HydrophobicContact CB-CB 4.37Å; N141-N154 PolarHBondContact ND2-ND2 3.15Å; N141-N154 WeakPolarHBondContact OD1-CB 3.27Å; N141-N154 PolarHBondContact OD1-ND2 2.81Å; N141-N154 VanDerWaalsContact OD1-ND2 3.13Å; N154-T156 PolarHBondContact O-N 3.14Å; N154-T156 WeakPolarHBondContact OD1-CB 3.41Å; N154-T156 PolarHBondContact OD1-OG1 3.12Å
155F91.8Very high78.8Confident1 Ų155 Ų550%0.00428%0.276CS..  trans-87.216.1178.9-76.1-97.4000113.3E58 I61 L62 L65 V71 H134 F152 E157 A158E58-F155 HydrophobicContact CG-CB 4.02Å; E58-F155 PolarHBondContact OE1-N 3.42Å; I61-F155 HydrophobicContact CG2-CB 4.33Å; I61-F155 HydrophobicContact CG2-CD1 3.88Å; I61-F155 HydrophobicContact CG2-CG 4.38Å; L62-F155 HydrophobicContact CD2-CB 4.37Å; L62-F155 HydrophobicContact CD2-CD2 3.64Å; L62-F155 HydrophobicContact CD2-CE2 4.18Å; L62-F155 HydrophobicContact CD2-CG 4.13Å; L62-F155 HydrophobicContact CG-CB 4.44Å; L65-F155 HydrophobicContact CD1-CD1 3.82Å; L65-F155 HydrophobicContact CD1-CE1 3.32Å; L65-F155 HydrophobicContact CD1-CZ 3.73Å; V71-F155 HydrophobicContact CG1-CE2 3.76Å; V71-F155 HydrophobicContact CG1-CZ 3.8Å; V71-F155 HydrophobicContact CG2-CZ 4.37Å; H134-F155 AromaticContact CD2-CE1 3.69Å; H134-F155 AromaticContact CD2-CZ 3.77Å; F152-F155 HydrophobicContact CB-CE2 4.06Å; F152-F155 HydrophobicContact CB-CZ 3.84Å; F152-F155 WeakPolarHBondContact O-CE2 3.18Å; F155-E157 VanDerWaalsContact C-N 3.3Å; F155-E157 PolarHBondContact O-N 2.54Å; F155-A158 HydrophobicContact CB-CB 3.95Å; F155-A158 HydrophobicContact CD1-CB 3.73Å; F155-A158 HydrophobicContact CG-CB 4.31Å; F155-A158 WeakPolarHBondContact O-CB 3.34Å; F155-A158 PolarHBondContact O-N 2.95Å
156T88.2Confident76.5Confident1 Ų161 Ų611%0.00630%0.304CS..THydrogen-bonded Turntrans-53.1-45.5-179.2-53.10000112.8T22 Y23 K41 E58 N154 A158 R159T22-T156 HydrophobicContact CG2-CG2 4Å; T22-T156 WeakPolarHBondContact OG1-CG2 3.44Å; Y23-T156 HydrophobicContact CD2-CG2 4.18Å; Y23-T156 HydrophobicContact CE2-CG2 3.35Å; K41-T156 PolarHBondContact NZ-OG1 3.49Å; E58-T156 PolarHBondContact OE1-N 3.15Å; E58-T156 PolarHBondContact OE2-OG1 3.12Å; N154-T156 PolarHBondContact O-N 3.14Å; N154-T156 WeakPolarHBondContact OD1-CB 3.41Å; N154-T156 PolarHBondContact OD1-OG1 3.12Å; T156-A158 VanDerWaalsContact C-N 3.31Å; T156-R159 PolarHBondContact O-NH1 3.13Å
157E86.4Confident74.7Confident26 Ų2654.8 Ų54.812%0.12127%0.271CS..THydrogen-bonded Turntrans-86.3-5.3-179.8-68.5-54.2129.900113.6R135 D136 F155 R159R135-E157 HydrophobicContact CB-CB 4.47Å; R135-E157 WeakPolarHBondContact CD-O 3.41Å; R135-E157 PolarHBondContact NH1-O 2.83Å; D136-E157 HydrophobicContact CB-CB 4.09Å; D136-E157 HydrophobicContact CB-CG 4.38Å; F155-E157 VanDerWaalsContact C-N 3.3Å; F155-E157 PolarHBondContact O-N 2.54Å; E157-R159 PolarHBondContact O-NH1 3Å; E157-R159 IonicContact OE2-NH2 2.85Å
158A89.9Confident73.5Confident0 Ų055 Ų550%027%0.272CS..  trans-65.2147.6-176.500000111.4I61 I132 L133 H134 F155 T156I61-A158 VanDerWaalsContact CD1-C 3.49Å; I61-A158 HydrophobicContact CD1-CB 3.76Å; I61-A158 VanDerWaalsContact CD1-O 3.28Å; I61-A158 WeakPolarHBondContact CD1-O 3.43Å; I61-A158 HydrophobicContact CG2-CB 4.3Å; I132-A158 HydrophobicContact CG2-CB 4.46Å; L133-A158 CarbonylContact O-C 3.56Å; L133-A158 WeakPolarHBondContact O-CA 3.45Å; L133-A158 VanDerWaalsContact O-CB 3.32Å; L133-A158 WeakPolarHBondContact O-CB 3.47Å; H134-A158 WeakPolarHBondContact O-CA 3.46Å; H134-A158 PolarHBondContact O-N 3.44Å; F155-A158 HydrophobicContact CB-CB 3.95Å; F155-A158 HydrophobicContact CD1-CB 3.73Å; F155-A158 HydrophobicContact CG-CB 4.31Å; F155-A158 WeakPolarHBondContact O-CB 3.34Å; F155-A158 PolarHBondContact O-N 2.95Å; T156-A158 VanDerWaalsContact C-N 3.31Å
159R86.7Confident72.2Confident47 Ų4756.1 Ų56.118%0.17728%0.283CS..EExtended strand (participates in β ladder)trans-139.7140.4-178-64.5-67.5-179.4-86.3-7.3110.4I132 L133 T156 E157 T167I132-R159 WeakPolarHBondContact CA-O 3.39Å; L133-R159 PolarHBondContact N-O 2.98Å; L133-R159 PolarHBondContact O-N 2.88Å; T156-R159 PolarHBondContact O-NH1 3.13Å; E157-R159 PolarHBondContact O-NH1 3Å; E157-R159 IonicContact OE2-NH2 2.85Å; R159-T167 HydrophobicContact CB-CG2 3.73Å; R159-T167 HydrophobicContact CG-CG2 3.64Å
160K84.1Confident70.6Confident107 Ų10755.6 Ų55.647%0.46528%0.281SS..EExtended strand (participates in β ladder)trans-87.5121.4168.9-168.2170.4-175.1171.10109.3G131 I132G131-K160 CarbonylContact O-C 3.59Å; G131-K160 VanDerWaalsContact O-CA 3.31Å; G131-K160 WeakPolarHBondContact O-CA 3.24Å; I132-K160 HydrophobicContact CG1-CG 4.5Å
161V75.8Confident68.9Low31 Ų3164.5 Ų64.519%0.18832%0.32CS..  trans-102.9110.8-179.8-172.80000108.1G131 L133 I163G131-V161 PolarHBondContact O-N 2.94Å; L133-V161 HydrophobicContact CD1-CG2 3.59Å; L133-V161 HydrophobicContact CG-CG2 3.74Å; V161-I163 PolarHBondContact O-N 3.06Å
162R60Low67Low227 Ų22764.7 Ų64.786%0.85733%0.325SS*.SBendtrans-86.180.8171-74.9-176.4175.1172.2-0.9109.2
163I51.4Low65.3Low151 Ų15165.2 Ų65.277%0.77433%0.329SS*.SBendtrans65.5144.3170.1-55.6172.9000111.1V161 A165V161-I163 PolarHBondContact O-N 3.06Å; I163-A165 PolarHBondContact O-N 3.38Å
164P41.2Very low64.3Low117 Ų11770 Ų7076%0.7635%0.349SS*.SBendtrans-84.798.2-134.132.7-33.7000112.4
165A37.8Very low63.6Low35 Ų3569.6 Ų69.629%0.28935%0.35SS..  trans16490139.800000111.2I163I163-A165 PolarHBondContact O-N 3.38Å
166E38Very low63.3Low146 Ų14670.4 Ų70.468%0.68236%0.356SS*.  trans-176.9106.3147.9-102150.3-139.600109.2
167T42.3Very low63.3Low18 Ų1870.7 Ų70.711%0.1136%0.356CS..  trans-161109.4165.1-2.70000110.1R159 R187R159-T167 HydrophobicContact CB-CG2 3.73Å; R159-T167 HydrophobicContact CG-CG2 3.64Å; T167-R187 CarbonylContact C-O 3.55Å
168F47.9Very low63.4Low150 Ų15070.6 Ų70.666%0.65836%0.355SS*.  trans-80.1132.2-177.4-70.6-93.4000112.1
169G48.1Very low63.4Low39 Ų3970.6 Ų70.640%0.40236%0.355SS..  trans71117159.900000117.1R135R135-G169 PolarHBondContact NH2-O 3.29Å
170C48.9Very low63.5Low16 Ų1668.4 Ų68.411%0.10835%0.347CS..  trans-95.9116.8169.5-150.10000109.1V182 Y189C170-V182 HydrophobicContact CB-CG1 3.88Å; C170-V182 HydrophobicContact CB-CG2 4.28Å; C170-Y189 HydrophobicContact CB-CE2 3.98Å; C170-Y189 PolarHBondContact N-OH 3.29Å
171K54.5Low63.6Low187 Ų18763.5 Ų63.581%0.81333%0.326SS*.  trans-123.42.4177.6-82.6-166.8174.3-172.30114.1
172G55.6Low64.1Low18 Ų1862.6 Ų62.619%0.18632%0.32CS..SBendtrans-81.1-39.6-164.500000116.9K138K138-G172 PolarHBondContact NZ-O 3.27Å
173S59.2Low65.3Low12 Ų1251.9 Ų51.98%0.08428%0.28CS..SBendtrans-101.3154.7-163.1-47.60000113.5D136 Y178D136-S173 WeakPolarHBondContact CA-OG 3.37Å; D136-S173 VanDerWaalsContact OD1-CA 3.3Å; D136-S173 WeakPolarHBondContact OD1-CA 3.35Å; D136-S173 PolarHBondContact OD1-N 3.05Å; D136-S173 PolarHBondContact OD1-OG 2.86Å; S173-Y178 VanDerWaalsContact O-CE1 3.25Å; S173-Y178 WeakPolarHBondContact O-CE1 2.94Å; S173-Y178 PolarHBondContact O-OH 3.49Å
174K72Confident66.8Low111 Ų11144.8 Ų44.848%0.48324%0.243SC..  trans-56144.5165.6-75.9176.6176.3166.20109E140 C176 Y177E140-K174 IonicContact OE1-NZ 3.94Å; E140-K174 PolarHBondContact OE1-NZ 3.27Å; K174-C176 VanDerWaalsContact CB-SG 3.53Å; K174-C176 PolarHBondContact O-N 2.91Å; K174-Y177 HydrophobicContact CB-CD2 4.12Å; K174-Y177 HydrophobicContact CB-CE2 4.27Å; K174-Y177 PolarHBondContact O-N 3.28Å
175A75.6Confident68.6Low22 Ų2240.1 Ų40.118%0.18222%0.217CC..G310 helixtrans-52.1-34-175.400000112.8Y177 Y178 Q220A175-Y177 PolarHBondContact O-N 3.1Å; A175-Y178 WeakPolarHBondContact O-CB 3.26Å; A175-Y178 PolarHBondContact O-N 2.9Å; A175-Q220 WeakPolarHBondContact O-CG 3.36Å; A175-Q220 PolarHBondContact O-NE2 3.48Å
176C85.1Confident70.3Confident18 Ų1842.3 Ų42.312%0.12222%0.218CC..G310 helixtrans-54.1-22176.855.50000115.8K174 P210 F212 Q220K174-C176 VanDerWaalsContact CB-SG 3.53Å; K174-C176 PolarHBondContact O-N 2.91Å; C176-P210 HydrophobicContact CB-CB 4.39Å; C176-F212 WeakPolarHBondContact CB-O 2.79Å; C176-Q220 VanDerWaalsContact CA-OE1 3.31Å; C176-Q220 PolarHBondContact O-NE2 2.78Å
177Y90Very high71.8Confident6 Ų643.6 Ų43.62%0.02422%0.217CC..G310 helixtrans-103.9-0.5-179.8-57-61.2000113.8K138 P139 K174 A175 T197 C200 I201 E204K138-Y177 HydrophobicContact CB-CD2 3.96Å; K138-Y177 HydrophobicContact CB-CE2 3.8Å; P139-Y177 VanDerWaalsContact CD-CZ 3.48Å; P139-Y177 WeakPolarHBondContact CD-OH 3.48Å; P139-Y177 WeakPolarHBondContact CG-OH 3.34Å; K174-Y177 HydrophobicContact CB-CD2 4.12Å; K174-Y177 HydrophobicContact CB-CE2 4.27Å; K174-Y177 PolarHBondContact O-N 3.28Å; A175-Y177 PolarHBondContact O-N 3.1Å; Y177-T197 HydrophobicContact CG-CG2 4.36Å; Y177-C200 HydrophobicContact CD1-CB 3.74Å; Y177-C200 HydrophobicContact CE1-CB 4.31Å; Y177-I201 HydrophobicContact CE1-CG1 4.26Å; Y177-E204 WeakPolarHBondContact CE1-OE2 3.42Å; Y177-E204 PolarHBondContact OH-OE2 3.4Å
178Y88.1Confident73Confident25 Ų2549.7 Ų49.710%0.09824%0.237CC..  trans-73.1131.1-178.6-72.8-14.9000112.2S173 A175 V182 L183 W196S173-Y178 VanDerWaalsContact O-CE1 3.25Å; S173-Y178 WeakPolarHBondContact O-CE1 2.94Å; S173-Y178 PolarHBondContact O-OH 3.49Å; A175-Y178 WeakPolarHBondContact O-CB 3.26Å; A175-Y178 PolarHBondContact O-N 2.9Å; Y178-V182 HydrophobicContact CD1-CG1 4.35Å; Y178-V182 HydrophobicContact CD2-CG1 4.41Å; Y178-V182 HydrophobicContact CG-CG1 4.19Å; Y178-L183 HydrophobicContact CD2-CD2 3.81Å; Y178-L183 HydrophobicContact CG-CD2 4.27Å; Y178-W196 PolarHBondContact O-NE1 2.97Å
179S89.5Confident74.1Confident0 Ų043.8 Ų43.80%021%0.211CC..  trans-73.5153.917367.40000112.2E181 V182 L183 L193S179-E181 VanDerWaalsContact CB-OE2 3.27Å; S179-E181 WeakPolarHBondContact CB-OE2 3.48Å; S179-E181 PolarHBondContact O-N 2.91Å; S179-E181 PolarHBondContact OG-OE1 2.93Å; S179-E181 PolarHBondContact OG-OE2 3.43Å; S179-V182 WeakPolarHBondContact O-CB 3.31Å; S179-V182 PolarHBondContact O-N 3.12Å; S179-V182 VanDerWaalsContact OG-CG2 3.27Å; S179-V182 WeakPolarHBondContact OG-CG2 3.25Å; S179-L183 WeakPolarHBondContact O-CG 3.46Å; S179-L183 PolarHBondContact O-N 2.8Å; S179-L183 VanDerWaalsContact O-N 3.16Å; S179-L193 WeakPolarHBondContact OG-CD1 3.35Å
180P88.9Confident75.8Confident0 Ų044.4 Ų44.40%021%0.209CC..Hα-helixtrans-54.8-38.4-179.7-27.334.6000113.4V182 L183 L184 W196 L221 I224 W236 Y285P180-V182 VanDerWaalsContact C-N 3.3Å; P180-V182 PolarHBondContact O-N 3.15Å; P180-L183 PolarHBondContact O-N 3.41Å; P180-L184 WeakPolarHBondContact O-CB 3.5Å; P180-L184 VanDerWaalsContact O-CG 3.27Å; P180-L184 WeakPolarHBondContact O-CG 3.27Å; P180-L184 PolarHBondContact O-N 2.74Å; P180-W196 HydrophobicContact CG-CH2 3.65Å; P180-W196 HydrophobicContact CG-CZ2 4.13Å; P180-W196 HydrophobicContact CG-CZ3 4.05Å; P180-L221 HydrophobicContact CB-CD1 4.13Å; P180-I224 HydrophobicContact CG-CD1 4.23Å; P180-I224 HydrophobicContact CG-CG2 4.18Å; P180-W236 HydrophobicContact CB-CZ3 4.45Å; P180-Y285 HydrophobicContact CB-CD1 4.28Å; P180-Y285 HydrophobicContact CG-CD1 3.95Å; P180-Y285 HydrophobicContact CG-CE1 4.18Å
181E86.1Confident77.7Confident4 Ų445.5 Ų45.52%0.01922%0.219CC..Hα-helixtrans-68.2-29.217969.5-87.7-149.900113.3S179 R186 W236 P287 R290S179-E181 VanDerWaalsContact CB-OE2 3.27Å; S179-E181 WeakPolarHBondContact CB-OE2 3.48Å; S179-E181 PolarHBondContact O-N 2.91Å; S179-E181 PolarHBondContact OG-OE1 2.93Å; S179-E181 PolarHBondContact OG-OE2 3.43Å; E181-R186 HydrophobicContact CB-CB 4.07Å; E181-R186 WeakPolarHBondContact O-CA 3.41Å; E181-R186 WeakPolarHBondContact O-CB 3.4Å; E181-R186 PolarHBondContact O-N 3.46Å; E181-W236 HydrophobicContact CB-CH2 3.68Å; E181-W236 HydrophobicContact CB-CZ2 4.36Å; E181-W236 HydrophobicContact CB-CZ3 4.49Å; E181-P287 HydrophobicContact CB-CG 4.18Å; E181-P287 HydrophobicContact CG-CG 3.89Å; E181-P287 VanDerWaalsContact OE1-CG 3.23Å; E181-P287 WeakPolarHBondContact OE1-CG 3.28Å; E181-R290 IonicContact OE1-CZ 2.66Å; E181-R290 IonicContact OE1-NH1 3.88Å; E181-R290 PolarHBondContact OE1-NH1 3.33Å; E181-R290 IonicContact OE1-NH2 2.94Å; E181-R290 PolarHBondContact OE1-NH2 3.29Å; E181-R290 IonicContact OE2-CZ 3.88Å; E181-R290 IonicContact OE2-NH1 2.89Å; E181-R290 IonicContact OE2-NH2 3.54Å; E181-R290 PolarHBondContact OE2-NH2 3.5Å
182V85.4Confident79.4Confident13 Ų1337 Ų378%0.07918%0.184CC..Hα-helixtrans-69.8-49.5173.5172.70000109.3C170 Y178 S179 P180 L184 G185 Y189 L193C170-V182 HydrophobicContact CB-CG1 3.88Å; C170-V182 HydrophobicContact CB-CG2 4.28Å; Y178-V182 HydrophobicContact CD1-CG1 4.35Å; Y178-V182 HydrophobicContact CD2-CG1 4.41Å; Y178-V182 HydrophobicContact CG-CG1 4.19Å; S179-V182 WeakPolarHBondContact O-CB 3.31Å; S179-V182 PolarHBondContact O-N 3.12Å; S179-V182 VanDerWaalsContact OG-CG2 3.27Å; S179-V182 WeakPolarHBondContact OG-CG2 3.25Å; P180-V182 VanDerWaalsContact C-N 3.3Å; P180-V182 PolarHBondContact O-N 3.15Å; V182-L184 VanDerWaalsContact C-N 3.32Å; V182-L184 PolarHBondContact O-N 2.91Å; V182-G185 PolarHBondContact O-N 3.04Å; V182-Y189 HydrophobicContact CB-CE1 4.27Å; V182-Y189 HydrophobicContact CG2-CD1 3.93Å; V182-Y189 HydrophobicContact CG2-CE1 3.46Å; V182-Y189 VanDerWaalsContact CG2-CE1 3.46Å; V182-L193 HydrophobicContact CG2-CD1 3.57Å
183L84.9Confident81.1Confident1 Ų136.4 Ų36.41%0.00518%0.176CC..Hα-helixtrans-61.2-39.3-178.7-62.9171.5000112.5Y178 S179 P180 G185 E217 Q220 L221 I224Y178-L183 HydrophobicContact CD2-CD2 3.81Å; Y178-L183 HydrophobicContact CG-CD2 4.27Å; S179-L183 WeakPolarHBondContact O-CG 3.46Å; S179-L183 PolarHBondContact O-N 2.8Å; S179-L183 VanDerWaalsContact O-N 3.16Å; P180-L183 PolarHBondContact O-N 3.41Å; L183-G185 PolarHBondContact O-N 2.79Å; L183-E217 HydrophobicContact CD2-CB 3.82Å; L183-E217 HydrophobicContact CD2-CG 4.06Å; L183-Q220 HydrophobicContact CD1-CB 4.1Å; L183-Q220 HydrophobicContact CD1-CG 3.59Å; L183-Q220 HydrophobicContact CD2-CB 4.36Å; L183-Q220 HydrophobicContact CD2-CG 4.3Å; L183-L221 HydrophobicContact CB-CD1 4.1Å; L183-L221 HydrophobicContact CD1-CB 4.08Å; L183-L221 HydrophobicContact CD1-CD1 3.76Å; L183-I224 HydrophobicContact CD1-CD1 3.73Å
184L83.8Confident82.7Confident2 Ų235.9 Ų35.91%0.0117%0.173CC..THydrogen-bonded Turntrans-77.43.2177.4-68169.5000113.5P180 V182 L221 W236 M239 V242 R244P180-L184 WeakPolarHBondContact O-CB 3.5Å; P180-L184 VanDerWaalsContact O-CG 3.27Å; P180-L184 WeakPolarHBondContact O-CG 3.27Å; P180-L184 PolarHBondContact O-N 2.74Å; V182-L184 VanDerWaalsContact C-N 3.32Å; V182-L184 PolarHBondContact O-N 2.91Å; L184-L221 HydrophobicContact CD2-CD2 3.77Å; L184-L221 HydrophobicContact CG-CD2 4.2Å; L184-W236 HydrophobicContact CD1-CZ3 3.99Å; L184-M239 HydrophobicContact CD1-CE 3.73Å; L184-M239 HydrophobicContact CD1-CG 4.4Å; L184-V242 HydrophobicContact CB-CB 4.04Å; L184-V242 HydrophobicContact CB-CG1 3.45Å; L184-V242 VanDerWaalsContact CB-CG1 3.45Å; L184-V242 WeakPolarHBondContact O-CG1 3.21Å; L184-R244 WeakPolarHBondContact O-CB 3.35Å; L184-R244 PolarHBondContact O-N 3.43Å
185G78.2Confident83.9Confident20 Ų2030.7 Ų30.721%0.20615%0.15CC..THydrogen-bonded Turntrans83.320.2172.100000114.9V182 L183 R187V182-G185 PolarHBondContact O-N 3.04Å; L183-G185 PolarHBondContact O-N 2.79Å; G185-R187 PolarHBondContact O-N 3.17Å
186R75Confident84.8Confident81 Ų8129.7 Ų29.731%0.30614%0.142SC..  trans-64.6123.4174.1-164.5178.7-178.9-177.9-4109E181 Y189 V242E181-R186 HydrophobicContact CB-CB 4.07Å; E181-R186 WeakPolarHBondContact O-CA 3.41Å; E181-R186 WeakPolarHBondContact O-CB 3.4Å; E181-R186 PolarHBondContact O-N 3.46Å; R186-Y189 WeakPolarHBondContact O-CE1 3.42Å; R186-Y189 PolarHBondContact O-OH 3.23Å; R186-V242 HydrophobicContact CB-CG1 3.99Å
187R68.4Low85.3Confident173 Ų17329 Ų2965%0.65314%0.137SC*.  trans-89.53.8-179-65.1-174.6175.6-178.6-0.4114.9T167 G185T167-R187 CarbonylContact C-O 3.55Å; G185-R187 PolarHBondContact O-N 3.17Å
188R67.7Low85.6Confident146 Ų14628.8 Ų28.855%0.55114%0.136SC*.  trans-124.3108.6-179-70.9-177.3176.6-178.5-0.8108.6
189Y71.9Confident86Confident25 Ų2527.6 Ų27.610%0.09813%0.132CC..  trans-101158.5-178.8-50.7-63.7000111C170 V182 R186 L193C170-Y189 HydrophobicContact CB-CE2 3.98Å; C170-Y189 PolarHBondContact N-OH 3.29Å; V182-Y189 HydrophobicContact CB-CE1 4.27Å; V182-Y189 HydrophobicContact CG2-CD1 3.93Å; V182-Y189 HydrophobicContact CG2-CE1 3.46Å; V182-Y189 VanDerWaalsContact CG2-CE1 3.46Å; R186-Y189 WeakPolarHBondContact O-CE1 3.42Å; R186-Y189 PolarHBondContact O-OH 3.23Å; Y189-L193 HydrophobicContact CD1-CD2 4.46Å; Y189-L193 HydrophobicContact CG-CD2 4.28Å
190S82.6Confident86.3Confident53 Ų5327.6 Ų27.637%0.37113%0.132SC..  trans-133.3176.2178.768.10000109.5A192 L193S190-A192 PolarHBondContact O-N 2.85Å; S190-A192 WeakPolarHBondContact OG-CB 3.28Å; S190-A192 PolarHBondContact OG-N 3.04Å; S190-L193 WeakPolarHBondContact O-CB 3.3Å; S190-L193 PolarHBondContact O-N 3.41Å
191A88.7Confident86.7Confident38 Ų3827.7 Ų27.731%0.31413%0.132SC..THydrogen-bonded Turntrans-46.4-30.5169.800000113.9H128 L133 L193 D194 I195H128-A191 VanDerWaalsContact CE1-CB 3.5Å; H128-A191 WeakPolarHBondContact CE1-CB 3.49Å; H128-A191 PolarHBondContact CE1-O 3.23Å; H128-A191 VanDerWaalsContact CE1-O 3.24Å; H128-A191 WeakPolarHBondContact ND1-CB 3.4Å; L133-A191 HydrophobicContact CD2-CB 3.99Å; A191-L193 PolarHBondContact O-N 3.27Å; A191-L193 VanDerWaalsContact O-N 3.08Å; A191-D194 PolarHBondContact O-N 2.83Å; A191-I195 PolarHBondContact O-N 3.33Å
192A91.1Very high87.2Confident9 Ų927.5 Ų27.57%0.07413%0.131CC..Hα-helixtrans-60.9-16.6178.300000114.9S190 W196 P287 R290S190-A192 PolarHBondContact O-N 2.85Å; S190-A192 WeakPolarHBondContact OG-CB 3.28Å; S190-A192 PolarHBondContact OG-N 3.04Å; A192-W196 PolarHBondContact O-N 3.05Å; A192-P287 HydrophobicContact CB-CB 3.79Å; A192-P287 WeakPolarHBondContact CB-O 3.27Å; A192-R290 HydrophobicContact CB-CB 4.36Å; A192-R290 PolarHBondContact O-NH1 3.19Å
193L91.2Very high87.7Confident5 Ų526.9 Ų26.93%0.02613%0.127CC..Hα-helixtrans-67.8-51174.517963000110.8R135 S179 V182 Y189 S190 A191 I195 W196 T197R135-L193 HydrophobicContact CB-CD2 4.27Å; R135-L193 HydrophobicContact CG-CD2 4.2Å; S179-L193 WeakPolarHBondContact OG-CD1 3.35Å; V182-L193 HydrophobicContact CG2-CD1 3.57Å; Y189-L193 HydrophobicContact CD1-CD2 4.46Å; Y189-L193 HydrophobicContact CG-CD2 4.28Å; S190-L193 WeakPolarHBondContact O-CB 3.3Å; S190-L193 PolarHBondContact O-N 3.41Å; A191-L193 PolarHBondContact O-N 3.27Å; A191-L193 VanDerWaalsContact O-N 3.08Å; L193-I195 PolarHBondContact O-N 2.92Å; L193-W196 WeakPolarHBondContact O-CB 3.31Å; L193-W196 PolarHBondContact O-N 3.02Å; L193-T197 PolarHBondContact O-N 2.83Å; L193-T197 PolarHBondContact O-OG1 3.39Å
194D93.5Very high88.2Confident2 Ų227 Ų271%0.01113%0.128CC..Hα-helixtrans-61.1-37.7178.8-64.1-26000110.5T124 H128 L133 H134 R135 L137 A191 W196 T197 I198T124-D194 HydrophobicContact CG2-CB 4.19Å; H128-D194 IonicContact CD2-OD2 2.72Å; H128-D194 IonicContact CE1-OD2 3.56Å; H128-D194 IonicContact NE2-OD2 2.77Å; H128-D194 PolarHBondContact NE2-OD2 3.2Å; L133-D194 WeakPolarHBondContact CA-OD2 3.49Å; H134-D194 PolarHBondContact N-OD1 2.91Å; H134-D194 PolarHBondContact N-OD2 3.08Å; R135-D194 PolarHBondContact N-OD1 3.05Å; L137-D194 HydrophobicContact CD1-CB 3.93Å; A191-D194 PolarHBondContact O-N 2.83Å; D194-W196 PolarHBondContact O-N 2.93Å; D194-T197 PolarHBondContact O-N 3.49Å; D194-I198 WeakPolarHBondContact O-CD1 3.49Å; D194-I198 VanDerWaalsContact O-CG1 3.25Å; D194-I198 WeakPolarHBondContact O-CG1 3.05Å; D194-I198 PolarHBondContact O-N 3.27Å
195I95.9Very high88.7Confident2 Ų227 Ų271%0.0113%0.128CC..Hα-helixtrans-61.4-45177.4-55.4-58000112T124 A191 L193 T197 I198 G199 M282 R290 I291 A293 M296T124-I195 HydrophobicContact CG2-CD1 4.15Å; A191-I195 PolarHBondContact O-N 3.33Å; L193-I195 PolarHBondContact O-N 2.92Å; I195-T197 VanDerWaalsContact C-N 3.29Å; I195-T197 PolarHBondContact O-N 3.16Å; I195-I198 PolarHBondContact O-N 3.24Å; I195-G199 PolarHBondContact O-N 3.34Å; I195-M282 HydrophobicContact CG2-CB 3.95Å; I195-M282 HydrophobicContact CG2-CG 3.94Å; I195-M282 WeakPolarHBondContact O-CE 3.46Å; I195-R290 HydrophobicContact CG2-CB 4.45Å; I195-I291 WeakPolarHBondContact CG1-O 3.48Å; I195-I291 HydrophobicContact CG2-CG2 4.12Å; I195-I291 VanDerWaalsContact CG2-O 3.31Å; I195-I291 WeakPolarHBondContact CG2-O 3.45Å; I195-A293 HydrophobicContact CD1-CB 3.94Å; I195-M296 HydrophobicContact CD1-SD 3.84Å; I195-M296 HydrophobicContact CG2-SD 4.46Å
196W95.4Very high89.4Confident0 Ų026.5 Ų26.50%012%0.122CC..Hα-helixtrans-57.4-47.8176.3175.4-83000110.5Y178 P180 A192 L193 D194 I198 G199 C200 F212 I224 M228 I283 R290Y178-W196 PolarHBondContact O-NE1 2.97Å; P180-W196 HydrophobicContact CG-CH2 3.65Å; P180-W196 HydrophobicContact CG-CZ2 4.13Å; P180-W196 HydrophobicContact CG-CZ3 4.05Å; A192-W196 PolarHBondContact O-N 3.05Å; L193-W196 WeakPolarHBondContact O-CB 3.31Å; L193-W196 PolarHBondContact O-N 3.02Å; D194-W196 PolarHBondContact O-N 2.93Å; W196-I198 PolarHBondContact O-N 3.06Å; W196-G199 WeakPolarHBondContact O-CA 3.35Å; W196-G199 PolarHBondContact O-N 3.12Å; W196-C200 PolarHBondContact NE1-SG 3.11Å; W196-C200 VanDerWaalsContact NE1-SG 3.43Å; W196-C200 PolarHBondContact O-N 3.42Å; W196-F212 HydrophobicContact CH2-CE2 4.26Å; W196-F212 HydrophobicContact CH2-CZ 4.33Å; W196-F212 HydrophobicContact CZ2-CD2 4.3Å; W196-F212 AromaticContact CZ2-CE2 3.52Å; W196-F212 HydrophobicContact CZ2-CE2 3.52Å; W196-F212 HydrophobicContact CZ2-CZ 4.01Å; W196-I224 HydrophobicContact CH2-CG2 4.15Å; W196-I224 HydrophobicContact CZ2-CD1 3.9Å; W196-I224 HydrophobicContact CZ2-CG1 4.21Å; W196-I224 HydrophobicContact CZ2-CG2 4.48Å; W196-M228 HydrophobicContact CH2-CE 4.42Å; W196-M228 HydrophobicContact CH2-SD 3.58Å; W196-M228 VanDerWaalsContact CH2-SD 3.58Å; W196-M228 HydrophobicContact CZ3-CE 4.39Å; W196-M228 HydrophobicContact CZ3-SD 4.12Å; W196-I283 HydrophobicContact CD2-CD1 3.87Å; W196-I283 HydrophobicContact CE3-CD1 4.01Å; W196-I283 HydrophobicContact CE3-CG2 4.42Å; W196-I283 HydrophobicContact CG-CD1 4.25Å; W196-I283 HydrophobicContact CH2-CG2 3.88Å; W196-I283 HydrophobicContact CZ2-CD1 4.49Å; W196-I283 HydrophobicContact CZ2-CG2 4.44Å; W196-I283 HydrophobicContact CZ3-CB 4.44Å; W196-I283 HydrophobicContact CZ3-CD1 4.43Å; W196-I283 HydrophobicContact CZ3-CG2 3.86Å; W196-I283 WeakPolarHBondContact O-CD1 3.19Å; W196-R290 VanDerWaalsContact CE3-CZ 3.5Å
197T94.9Very high90.2Very high4 Ų423.9 Ų23.93%0.02512%0.115CC..Hα-helixtrans-64.5-41.2-177.7-53.80000112.4L137 Y177 L193 D194 I195 G199 C200 I201L137-T197 HydrophobicContact CB-CG2 3.64Å; L137-T197 WeakPolarHBondContact O-CG2 3.45Å; Y177-T197 HydrophobicContact CG-CG2 4.36Å; L193-T197 PolarHBondContact O-N 2.83Å; L193-T197 PolarHBondContact O-OG1 3.39Å; D194-T197 PolarHBondContact O-N 3.49Å; I195-T197 VanDerWaalsContact C-N 3.29Å; I195-T197 PolarHBondContact O-N 3.16Å; T197-G199 PolarHBondContact O-N 3.38Å; T197-C200 WeakPolarHBondContact O-CB 3.2Å; T197-C200 PolarHBondContact O-N 2.77Å; T197-I201 HydrophobicContact CG2-CD1 4.16Å; T197-I201 VanDerWaalsContact O-CG1 3.31Å; T197-I201 WeakPolarHBondContact O-CG1 3.31Å; T197-I201 PolarHBondContact O-N 2.98Å
198I96.8Very high91.1Very high1 Ų118.1 Ų18.11%0.0059%0.094CC..Hα-helixtrans-62.3-32.9173.2-61.6161.3000110.5M120 T124 L137 D194 I195 W196 I201 F202 M282 M296M120-I198 HydrophobicContact CB-CG2 3.96Å; M120-I198 HydrophobicContact CE-CG2 4.02Å; M120-I198 HydrophobicContact SD-CG2 4.05Å; T124-I198 HydrophobicContact CG2-CD1 3.89Å; T124-I198 WeakPolarHBondContact OG1-CD1 3.47Å; L137-I198 HydrophobicContact CD1-CD1 3.91Å; L137-I198 HydrophobicContact CD1-CG1 3.67Å; D194-I198 WeakPolarHBondContact O-CD1 3.49Å; D194-I198 VanDerWaalsContact O-CG1 3.25Å; D194-I198 WeakPolarHBondContact O-CG1 3.05Å; D194-I198 PolarHBondContact O-N 3.27Å; I195-I198 PolarHBondContact O-N 3.24Å; W196-I198 PolarHBondContact O-N 3.06Å; I198-I201 PolarHBondContact O-N 3.41Å; I198-F202 VanDerWaalsContact O-CB 3.31Å; I198-F202 WeakPolarHBondContact O-CB 3.18Å; I198-F202 PolarHBondContact O-N 3.33Å; I198-M282 VanDerWaalsContact C-CE 3.48Å; I198-M282 HydrophobicContact CB-CE 3.7Å; I198-M282 HydrophobicContact CG2-CE 3.57Å; I198-M296 HydrophobicContact CG2-CE 4.17Å
199G96.9Very high92.1Very high0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-64-46.7174.700000111.4I195 W196 T197 I201 F202 A203 L279 M282I195-G199 PolarHBondContact O-N 3.34Å; W196-G199 WeakPolarHBondContact O-CA 3.35Å; W196-G199 PolarHBondContact O-N 3.12Å; T197-G199 PolarHBondContact O-N 3.38Å; G199-I201 VanDerWaalsContact C-N 3.31Å; G199-I201 PolarHBondContact O-N 3.42Å; G199-F202 PolarHBondContact O-N 3.49Å; G199-A203 PolarHBondContact O-N 3.06Å; G199-L279 WeakPolarHBondContact O-CD1 3.31Å; G199-M282 VanDerWaalsContact CA-CE 3.44Å
200C95.8Very high93Very high1 Ų119.3 Ų19.31%0.00711%0.108CC..Hα-helixtrans-59.3-42.4174.8-64.20000112Y177 W196 T197 A203 E204Y177-C200 HydrophobicContact CD1-CB 3.74Å; Y177-C200 HydrophobicContact CE1-CB 4.31Å; W196-C200 PolarHBondContact NE1-SG 3.11Å; W196-C200 VanDerWaalsContact NE1-SG 3.43Å; W196-C200 PolarHBondContact O-N 3.42Å; T197-C200 WeakPolarHBondContact O-CB 3.2Å; T197-C200 PolarHBondContact O-N 2.77Å; C200-A203 PolarHBondContact O-N 3.08Å; C200-E204 WeakPolarHBondContact O-CB 3.39Å; C200-E204 PolarHBondContact O-N 2.84Å
201I96.4Very high93.5Very high1 Ų117.1 Ų17.11%0.0059%0.092CC..Hα-helixtrans-67.5-39.6177.7-63.1166.8000111.2L95 M120 L137 P139 L142 Y177 T197 I198 G199 E204 M205L95-I201 HydrophobicContact CD2-CG2 3.64Å; M120-I201 HydrophobicContact CE-CG2 4.06Å; M120-I201 HydrophobicContact SD-CG2 4.05Å; L137-I201 HydrophobicContact CB-CD1 4.3Å; P139-I201 HydrophobicContact CG-CG1 4.26Å; P139-I201 HydrophobicContact CG-CG2 4.44Å; L142-I201 HydrophobicContact CD1-CD1 3.81Å; L142-I201 HydrophobicContact CD1-CG2 4.07Å; Y177-I201 HydrophobicContact CE1-CG1 4.26Å; T197-I201 HydrophobicContact CG2-CD1 4.16Å; T197-I201 VanDerWaalsContact O-CG1 3.31Å; T197-I201 WeakPolarHBondContact O-CG1 3.31Å; T197-I201 PolarHBondContact O-N 2.98Å; I198-I201 PolarHBondContact O-N 3.41Å; G199-I201 VanDerWaalsContact C-N 3.31Å; G199-I201 PolarHBondContact O-N 3.42Å; I201-E204 PolarHBondContact O-N 2.88Å; I201-M205 HydrophobicContact CG2-CE 4.37Å; I201-M205 HydrophobicContact CG2-CG 4.49Å; I201-M205 WeakPolarHBondContact O-CG 3.31Å; I201-M205 PolarHBondContact O-N 3.06Å
202F97.1Very high93.6Very high0 Ų015.3 Ų15.30%08%0.077CC..Hα-helixtrans-60.3-48.8175.1176.7-162.7000110.8V113 V117 I198 G199 E204 M205 A206 L271 L278 L279 M282 Y301V113-F202 HydrophobicContact CG1-CD2 3.67Å; V113-F202 HydrophobicContact CG1-CE2 3.6Å; V117-F202 HydrophobicContact CG1-CD1 4.14Å; V117-F202 HydrophobicContact CG1-CG 4.23Å; V117-F202 HydrophobicContact CG2-CB 3.85Å; V117-F202 HydrophobicContact CG2-CD1 4.17Å; V117-F202 HydrophobicContact CG2-CD2 3.36Å; V117-F202 HydrophobicContact CG2-CE2 3.92Å; V117-F202 HydrophobicContact CG2-CG 3.53Å; I198-F202 VanDerWaalsContact O-CB 3.31Å; I198-F202 WeakPolarHBondContact O-CB 3.18Å; I198-F202 PolarHBondContact O-N 3.33Å; G199-F202 PolarHBondContact O-N 3.49Å; F202-E204 VanDerWaalsContact C-N 3.33Å; F202-E204 PolarHBondContact O-N 2.94Å; F202-M205 PolarHBondContact O-N 3.19Å; F202-A206 PolarHBondContact O-N 3.4Å; F202-A206 VanDerWaalsContact O-N 3.08Å; F202-L271 HydrophobicContact CE1-CD1 4.38Å; F202-L271 HydrophobicContact CE2-CD1 4.02Å; F202-L271 HydrophobicContact CE2-CD2 3.48Å; F202-L271 VanDerWaalsContact CE2-CD2 3.48Å; F202-L271 HydrophobicContact CE2-CG 4.42Å; F202-L271 HydrophobicContact CZ-CD1 3.84Å; F202-L271 HydrophobicContact CZ-CD2 3.69Å; F202-L271 HydrophobicContact CZ-CG 4.45Å; F202-L278 HydrophobicContact CE1-CB 4.44Å; F202-L278 HydrophobicContact CE1-CD2 4.12Å; F202-L278 HydrophobicContact CE1-CG 4.35Å; F202-L279 HydrophobicContact CB-CD1 4.34Å; F202-L279 HydrophobicContact CD1-CB 4.07Å; F202-L279 HydrophobicContact CD1-CD1 3.93Å; F202-L279 HydrophobicContact CD1-CD2 4.48Å; F202-L279 HydrophobicContact CD1-CG 4.39Å; F202-L279 HydrophobicContact CE1-CB 4.02Å; F202-L279 HydrophobicContact CG-CD1 4.43Å; F202-M282 HydrophobicContact CD1-SD 4.35Å; F202-Y301 HydrophobicContact CE1-CE1 4.27Å; F202-Y301 HydrophobicContact CE2-CE1 4.2Å; F202-Y301 HydrophobicContact CZ-CD1 4.39Å; F202-Y301 AromaticContact CZ-CE1 3.62Å; F202-Y301 HydrophobicContact CZ-CE1 3.62Å; F202-Y301 HydrophobicContact CZ-CE2 4.31Å; F202-Y301 AromaticContact CZ-CZ 3.56Å
203A95.8Very high93.4Very high0 Ų018.9 Ų18.90%010%0.098CC..Hα-helixtrans-59-45.2174.800000111.7G199 C200 M205 A206 T207 L211 L267 L279G199-A203 PolarHBondContact O-N 3.06Å; C200-A203 PolarHBondContact O-N 3.08Å; A203-M205 PolarHBondContact O-N 3.31Å; A203-A206 PolarHBondContact O-N 2.89Å; A203-A206 VanDerWaalsContact O-N 3.1Å; A203-T207 WeakPolarHBondContact O-CG2 3.41Å; A203-T207 PolarHBondContact O-N 2.93Å; A203-T207 PolarHBondContact O-OG1 2.95Å; A203-L211 HydrophobicContact CB-CB 3.77Å; A203-L211 HydrophobicContact CB-CD1 4.14Å; A203-L211 HydrophobicContact CB-CD2 3.85Å; A203-L211 HydrophobicContact CB-CG 4.13Å; A203-L267 HydrophobicContact CB-CD2 4.38Å; A203-L279 HydrophobicContact CB-CD2 3.77Å
204E94.8Very high92.9Very high4 Ų419.2 Ų19.22%0.01910%0.102CC..Hα-helixtrans-63.2-39.5179.3-177.2174.5175.500112.8Y177 C200 I201 F202 A206 T207 R208 K209Y177-E204 WeakPolarHBondContact CE1-OE2 3.42Å; Y177-E204 PolarHBondContact OH-OE2 3.4Å; C200-E204 WeakPolarHBondContact O-CB 3.39Å; C200-E204 PolarHBondContact O-N 2.84Å; I201-E204 PolarHBondContact O-N 2.88Å; F202-E204 VanDerWaalsContact C-N 3.33Å; F202-E204 PolarHBondContact O-N 2.94Å; E204-A206 VanDerWaalsContact C-N 3.29Å; E204-A206 PolarHBondContact O-N 3.41Å; E204-T207 PolarHBondContact O-N 3.05Å; E204-R208 WeakPolarHBondContact O-CA 3.45Å; E204-R208 PolarHBondContact O-N 2.89Å; E204-K209 WeakPolarHBondContact CA-O 3.44Å
205M95.1Very high92.2Very high1 Ų123.8 Ų23.81%0.00513%0.134CC..Hα-helixtrans-64-36.1172.9-73.6-171.4-6200112.1L95 I99 M108 V113 F116 V117 M120 I201 F202 A203L95-M205 HydrophobicContact CD1-CG 4.23Å; L95-M205 HydrophobicContact CD1-SD 3.88Å; L95-M205 HydrophobicContact CD2-CG 4.09Å; L95-M205 HydrophobicContact CD2-SD 3.75Å; L95-M205 HydrophobicContact CG-SD 4.4Å; I99-M205 HydrophobicContact CD1-CG 4.06Å; M108-M205 HydrophobicContact CE-CB 4.48Å; M108-M205 HydrophobicContact CE-CG 4.28Å; M108-M205 HydrophobicContact CE-SD 3.99Å; M108-M205 HydrophobicContact SD-CB 3.81Å; M108-M205 HydrophobicContact SD-CG 3.79Å; M108-M205 HydrophobicContact SD-SD 4.29Å; V113-M205 HydrophobicContact CG1-CB 4.13Å; V113-M205 HydrophobicContact CG1-CE 4.23Å; V113-M205 HydrophobicContact CG2-CB 4.13Å; F116-M205 HydrophobicContact CB-CE 4.21Å; F116-M205 HydrophobicContact CB-SD 3.99Å; F116-M205 HydrophobicContact CD2-SD 3.97Å; V117-M205 HydrophobicContact CG2-CE 3.61Å; M120-M205 HydrophobicContact CE-CE 3.41Å; M120-M205 VanDerWaalsContact CE-CE 3.41Å; I201-M205 HydrophobicContact CG2-CE 4.37Å; I201-M205 HydrophobicContact CG2-CG 4.49Å; I201-M205 WeakPolarHBondContact O-CG 3.31Å; I201-M205 PolarHBondContact O-N 3.06Å; F202-M205 PolarHBondContact O-N 3.19Å; A203-M205 PolarHBondContact O-N 3.31Å
206A92.5Very high91.4Very high11 Ų1127.1 Ų27.19%0.09115%0.152CC..Hα-helixtrans-75.7-30.3-178.900000113.1F202 A203 E204 S270 L271F202-A206 PolarHBondContact O-N 3.4Å; F202-A206 VanDerWaalsContact O-N 3.08Å; A203-A206 PolarHBondContact O-N 2.89Å; A203-A206 VanDerWaalsContact O-N 3.1Å; E204-A206 VanDerWaalsContact C-N 3.29Å; E204-A206 PolarHBondContact O-N 3.41Å; A206-S270 WeakPolarHBondContact O-CB 3.07Å; A206-L271 HydrophobicContact CB-CD1 4.23Å; A206-L271 HydrophobicContact CB-CD2 3.76Å; A206-L271 HydrophobicContact CB-CG 3.84Å
207T91Very high90.7Very high26 Ų2631 Ų3116%0.1617%0.17CC..Hα-helixtrans-114.7-6.9-17366.80000114.2A203 E204 K209 L267A203-T207 WeakPolarHBondContact O-CG2 3.41Å; A203-T207 PolarHBondContact O-N 2.93Å; A203-T207 PolarHBondContact O-OG1 2.95Å; E204-T207 PolarHBondContact O-N 3.05Å; T207-K209 PolarHBondContact O-N 2.75Å; T207-K209 VanDerWaalsContact O-N 3.08Å; T207-K209 PolarHBondContact OG1-N 3.16Å; T207-K209 PolarHBondContact OG1-O 2.89Å; T207-L267 HydrophobicContact CG2-CD2 3.88Å
208R88.3Confident89.9Confident52 Ų5234.4 Ų34.420%0.19619%0.187CC..SBendtrans57.58.1-167.6-68.7-169.266.8-165.57.4115.8I99 L102 G103 P104 E106 M107 E204I99-R208 HydrophobicContact CG2-CG 4.3Å; I99-R208 PolarHBondContact O-NE 3.29Å; I99-R208 PolarHBondContact O-NH2 3.24Å; L102-R208 PolarHBondContact O-NH2 3.41Å; G103-R208 PolarHBondContact O-NH1 2.89Å; P104-R208 PolarHBondContact O-NH1 3.25Å; E106-R208 WeakPolarHBondContact O-CD 3.22Å; E106-R208 PolarHBondContact O-NH1 3.21Å; M107-R208 HydrophobicContact CE-CB 4.5Å; M107-R208 HydrophobicContact CE-CG 4.12Å; M107-R208 HydrophobicContact SD-CB 4.43Å; M107-R208 HydrophobicContact SD-CG 3.84Å; E204-R208 WeakPolarHBondContact O-CA 3.45Å; E204-R208 PolarHBondContact O-N 2.89Å
209K88.4Confident89.2Confident151 Ų15136.4 Ų36.466%0.65720%0.198SC*.SBendtrans-126.6138-179.3-66.2179.9-175.6174.30109.3E204 T207 L211E204-K209 WeakPolarHBondContact CA-O 3.44Å; T207-K209 PolarHBondContact O-N 2.75Å; T207-K209 VanDerWaalsContact O-N 3.08Å; T207-K209 PolarHBondContact OG1-N 3.16Å; T207-K209 PolarHBondContact OG1-O 2.89Å; K209-L211 PolarHBondContact O-N 3.41Å
210P90.9Very high88.7Confident44 Ų4436.4 Ų36.429%0.28620%0.198SC..  trans-52.9129.4172.1-23.632.5000109.6C176 F212 V213C176-P210 HydrophobicContact CB-CB 4.39Å; P210-F212 PolarHBondContact O-N 3.19Å; P210-V213 HydrophobicContact CB-CG2 4.31Å; P210-V213 WeakPolarHBondContact O-CG2 3.41Å
211L92.4Very high88.2Confident7 Ų736.4 Ų36.44%0.03720%0.198CC..SBendtrans-55.8-38.6-177.8179.960.1000111.6A203 K209 I227 L263 I283A203-L211 HydrophobicContact CB-CB 3.77Å; A203-L211 HydrophobicContact CB-CD1 4.14Å; A203-L211 HydrophobicContact CB-CD2 3.85Å; A203-L211 HydrophobicContact CB-CG 4.13Å; K209-L211 PolarHBondContact O-N 3.41Å; L211-I227 HydrophobicContact CD1-CG2 4.2Å; L211-I227 WeakPolarHBondContact O-CD1 3.23Å; L211-L263 HydrophobicContact CD1-CD1 3.93Å; L211-L263 HydrophobicContact CD2-CD1 4.03Å; L211-I283 HydrophobicContact CD2-CG1 4.42Å
212F91.9Very high87.6Confident0 Ų038.4 Ų38.40%021%0.207CC..  trans-121.3135.9175.8-49.4-65.1000108.5C176 W196 P210 H223 I224 I227 M228 I283C176-F212 WeakPolarHBondContact CB-O 2.79Å; W196-F212 HydrophobicContact CH2-CE2 4.26Å; W196-F212 HydrophobicContact CH2-CZ 4.33Å; W196-F212 HydrophobicContact CZ2-CD2 4.3Å; W196-F212 AromaticContact CZ2-CE2 3.52Å; W196-F212 HydrophobicContact CZ2-CE2 3.52Å; W196-F212 HydrophobicContact CZ2-CZ 4.01Å; P210-F212 PolarHBondContact O-N 3.19Å; F212-H223 HydrophobicContact CB-CB 4.39Å; F212-I224 HydrophobicContact CB-CG1 4.43Å; F212-I224 HydrophobicContact CD1-CB 4.31Å; F212-I224 HydrophobicContact CD1-CG1 3.73Å; F212-I224 HydrophobicContact CD2-CG1 3.99Å; F212-I224 HydrophobicContact CE1-CB 4.22Å; F212-I224 HydrophobicContact CE1-CG1 3.89Å; F212-I224 HydrophobicContact CE1-CG2 4.48Å; F212-I224 HydrophobicContact CE2-CG1 4.14Å; F212-I224 HydrophobicContact CG-CG1 3.78Å; F212-I224 HydrophobicContact CZ-CG1 4.09Å; F212-I227 HydrophobicContact CD1-CB 4.43Å; F212-I227 HydrophobicContact CD1-CD1 4.01Å; F212-I227 HydrophobicContact CE1-CB 3.99Å; F212-I227 HydrophobicContact CE1-CD1 4.31Å; F212-I227 HydrophobicContact CE1-CG2 4.06Å; F212-M228 HydrophobicContact CE1-CG 4.43Å; F212-M228 HydrophobicContact CZ-CG 4.37Å; F212-M228 HydrophobicContact CZ-SD 4.14Å; F212-I283 HydrophobicContact CE2-CG2 4.42Å; F212-I283 HydrophobicContact CZ-CG2 3.99Å
213V87.1Confident87.1Confident85 Ų8539.9 Ų39.952%0.51521%0.214SC..  trans-124.465.3-174.2-168.10000109.6P210 H223P210-V213 HydrophobicContact CB-CG2 4.31Å; P210-V213 WeakPolarHBondContact O-CG2 3.41Å; V213-H223 PolarHBondContact O-CD2 2.63Å; V213-H223 PolarHBondContact O-NE2 3.33Å
214G80.9Confident86.8Confident11 Ų1139.9 Ų39.911%0.11321%0.214CC..  trans-87.7127.1173.200000112.8N216G214-N216 VanDerWaalsContact C-N 3.27Å; G214-N216 PolarHBondContact O-N 3.28Å
215S77.1Confident86.4Confident98 Ų9839.8 Ų39.869%0.68521%0.213SC*.SBendtrans-70.2-21.917159.20000113.4D219S215-D219 WeakPolarHBondContact CB-OD2 3.39Å; S215-D219 PolarHBondContact N-OD2 3.06Å; S215-D219 PolarHBondContact OG-OD2 3.22Å
216N79.7Confident85.9Confident73 Ų7344.1 Ų44.139%0.3923%0.23SC..SBendtrans-153.3179.4178.361.365.4000110.6G214 I218 D219 Q220G214-N216 VanDerWaalsContact C-N 3.27Å; G214-N216 PolarHBondContact O-N 3.28Å; N216-I218 VanDerWaalsContact C-N 3.28Å; N216-I218 PolarHBondContact O-N 3.45Å; N216-I218 WeakPolarHBondContact OD1-CA 3.42Å; N216-I218 VanDerWaalsContact OD1-CB 3.29Å; N216-I218 WeakPolarHBondContact OD1-CB 3.29Å; N216-I218 PolarHBondContact OD1-N 3.15Å; N216-D219 PolarHBondContact O-N 3.43Å; N216-D219 PolarHBondContact OD1-N 3.31Å; N216-Q220 VanDerWaalsContact O-CB 3.24Å; N216-Q220 WeakPolarHBondContact O-CB 3.43Å; N216-Q220 PolarHBondContact O-N 2.72Å
217E80Confident85.7Confident82 Ų8243.8 Ų43.838%0.38323%0.226SC..Hα-helixtrans-58.3-37.7-177.2-64.8-179.617200113.6L183 L221 R244 W248L183-E217 HydrophobicContact CD2-CB 3.82Å; L183-E217 HydrophobicContact CD2-CG 4.06Å; E217-L221 PolarHBondContact O-N 3.15Å; E217-R244 IonicContact OE2-NH1 3.15Å; E217-R244 PolarHBondContact OE2-NH1 2.87Å; E217-W248 HydrophobicContact CB-CH2 3.91Å; E217-W248 HydrophobicContact CB-CZ3 4.26Å
218I78.5Confident85.5Confident74 Ų7444.5 Ų44.538%0.37923%0.228SC..Hα-helixtrans-70.9-52.4-178.8-73.6172.8000109.7N216 Q220 L221 F222 W248 W252N216-I218 VanDerWaalsContact C-N 3.28Å; N216-I218 PolarHBondContact O-N 3.45Å; N216-I218 WeakPolarHBondContact OD1-CA 3.42Å; N216-I218 VanDerWaalsContact OD1-CB 3.29Å; N216-I218 WeakPolarHBondContact OD1-CB 3.29Å; N216-I218 PolarHBondContact OD1-N 3.15Å; I218-Q220 VanDerWaalsContact C-N 3.26Å; I218-Q220 PolarHBondContact O-N 2.86Å; I218-L221 PolarHBondContact O-N 3.04Å; I218-L221 VanDerWaalsContact O-N 3.1Å; I218-F222 PolarHBondContact O-N 3.43Å; I218-W248 HydrophobicContact CB-CZ3 4.44Å; I218-W248 HydrophobicContact CD1-CH2 4.41Å; I218-W248 HydrophobicContact CD1-CZ2 4.21Å; I218-W248 HydrophobicContact CG1-CD2 4.35Å; I218-W248 HydrophobicContact CG1-CE3 4.14Å; I218-W248 HydrophobicContact CG1-CH2 3.47Å; I218-W248 VanDerWaalsContact CG1-CH2 3.47Å; I218-W248 HydrophobicContact CG1-CZ2 3.7Å; I218-W248 HydrophobicContact CG1-CZ3 3.69Å; I218-W252 HydrophobicContact CB-CH2 3.95Å; I218-W252 HydrophobicContact CB-CZ2 4.06Å; I218-W252 HydrophobicContact CG1-CH2 3.9Å; I218-W252 HydrophobicContact CG1-CZ2 4.18Å; I218-W252 HydrophobicContact CG2-CH2 3.55Å; I218-W252 HydrophobicContact CG2-CZ2 3.18Å
219D81.8Confident85.2Confident44 Ų4442.8 Ų42.824%0.23523%0.227CC..Hα-helixtrans-61-38.5-179.4-169.928.7000111.3S215 N216 L221 F222 H223S215-D219 WeakPolarHBondContact CB-OD2 3.39Å; S215-D219 PolarHBondContact N-OD2 3.06Å; S215-D219 PolarHBondContact OG-OD2 3.22Å; N216-D219 PolarHBondContact O-N 3.43Å; N216-D219 PolarHBondContact OD1-N 3.31Å; D219-L221 PolarHBondContact O-N 2.84Å; D219-F222 WeakPolarHBondContact O-CB 3.44Å; D219-F222 PolarHBondContact O-N 2.92Å; D219-H223 PolarHBondContact O-CD2 2.74Å; D219-H223 PolarHBondContact O-N 3.14Å; D219-H223 IonicContact OD1-CD2 3.6Å; D219-H223 IonicContact OD1-NE2 3.99Å
220Q87.6Confident84.8Confident0 Ų036.5 Ų36.50%020%0.203CC..Hα-helixtrans-60.5-46173.7179.967.93.800112.2A175 C176 L183 N216 I218 F222 H223 I224A175-Q220 WeakPolarHBondContact O-CG 3.36Å; A175-Q220 PolarHBondContact O-NE2 3.48Å; C176-Q220 VanDerWaalsContact CA-OE1 3.31Å; C176-Q220 PolarHBondContact O-NE2 2.78Å; L183-Q220 HydrophobicContact CD1-CB 4.1Å; L183-Q220 HydrophobicContact CD1-CG 3.59Å; L183-Q220 HydrophobicContact CD2-CB 4.36Å; L183-Q220 HydrophobicContact CD2-CG 4.3Å; N216-Q220 VanDerWaalsContact O-CB 3.24Å; N216-Q220 WeakPolarHBondContact O-CB 3.43Å; N216-Q220 PolarHBondContact O-N 2.72Å; I218-Q220 VanDerWaalsContact C-N 3.26Å; I218-Q220 PolarHBondContact O-N 2.86Å; Q220-F222 VanDerWaalsContact C-N 3.29Å; Q220-F222 PolarHBondContact O-N 3.2Å; Q220-H223 PolarHBondContact O-N 3.28Å; Q220-I224 HydrophobicContact CG-CD1 4.15Å; Q220-I224 VanDerWaalsContact O-CG1 3.32Å; Q220-I224 WeakPolarHBondContact O-CG1 3.23Å; Q220-I224 PolarHBondContact O-N 2.72Å
221L85.2Confident84.3Confident1 Ų134.6 Ų34.61%0.00519%0.19CC..Hα-helixtrans-65.3-37.4-179.9-16271.3000111.2P180 L183 L184 E217 I218 D219 I224 F225 W248 W252P180-L221 HydrophobicContact CB-CD1 4.13Å; L183-L221 HydrophobicContact CB-CD1 4.1Å; L183-L221 HydrophobicContact CD1-CB 4.08Å; L183-L221 HydrophobicContact CD1-CD1 3.76Å; L184-L221 HydrophobicContact CD2-CD2 3.77Å; L184-L221 HydrophobicContact CG-CD2 4.2Å; E217-L221 PolarHBondContact O-N 3.15Å; I218-L221 PolarHBondContact O-N 3.04Å; I218-L221 VanDerWaalsContact O-N 3.1Å; D219-L221 PolarHBondContact O-N 2.84Å; L221-I224 HydrophobicContact CD1-CD1 4.47Å; L221-I224 PolarHBondContact O-N 2.83Å; L221-F225 HydrophobicContact CD1-CE1 3.93Å; L221-F225 HydrophobicContact CD1-CZ 4.02Å; L221-F225 HydrophobicContact CD2-CE1 4.3Å; L221-F225 HydrophobicContact CD2-CE2 3.94Å; L221-F225 HydrophobicContact CD2-CZ 3.56Å; L221-F225 HydrophobicContact CG-CD1 4.47Å; L221-F225 HydrophobicContact CG-CE1 3.83Å; L221-F225 HydrophobicContact CG-CE2 3.96Å; L221-F225 HydrophobicContact CG-CZ 3.54Å; L221-F225 WeakPolarHBondContact O-CD1 3.39Å; L221-F225 WeakPolarHBondContact O-CG 3.2Å; L221-F225 PolarHBondContact O-N 3.23Å; L221-W248 HydrophobicContact CD2-CE3 4.08Å; L221-W252 HydrophobicContact CB-CZ3 4.14Å; L221-W252 HydrophobicContact CD2-CE3 4.27Å; L221-W252 HydrophobicContact CD2-CZ3 3.75Å; L221-W252 HydrophobicContact CG-CZ3 4.39Å
222F82.8Confident83.8Confident42 Ų4237.1 Ų37.118%0.18421%0.206CC..Hα-helixtrans-60.4-48.1173.7-178.1-96.4000111.9I218 D219 Q220 I224 F225 R226 W252 Q255 A256I218-F222 PolarHBondContact O-N 3.43Å; D219-F222 WeakPolarHBondContact O-CB 3.44Å; D219-F222 PolarHBondContact O-N 2.92Å; Q220-F222 VanDerWaalsContact C-N 3.29Å; Q220-F222 PolarHBondContact O-N 3.2Å; F222-I224 VanDerWaalsContact C-N 3.3Å; F222-I224 PolarHBondContact O-N 3.27Å; F222-F225 PolarHBondContact O-N 3.37Å; F222-F225 VanDerWaalsContact O-N 3.13Å; F222-R226 PolarHBondContact O-N 2.77Å; F222-W252 HydrophobicContact CD2-CB 4.28Å; F222-W252 HydrophobicContact CD2-CG 4.21Å; F222-Q255 HydrophobicContact CE2-CB 4.12Å; F222-A256 HydrophobicContact CD2-CB 4.48Å; F222-A256 HydrophobicContact CE2-CB 4.17Å
223H87.1Confident83.1Confident31 Ų3142.4 Ų42.414%0.14424%0.238CC..Hα-helixtrans-60.4-38.1176.2-92.1-90.4000113F212 V213 D219 Q220 R226 I227F212-H223 HydrophobicContact CB-CB 4.39Å; V213-H223 PolarHBondContact O-CD2 2.63Å; V213-H223 PolarHBondContact O-NE2 3.33Å; D219-H223 PolarHBondContact O-CD2 2.74Å; D219-H223 PolarHBondContact O-N 3.14Å; D219-H223 IonicContact OD1-CD2 3.6Å; D219-H223 IonicContact OD1-NE2 3.99Å; Q220-H223 PolarHBondContact O-N 3.28Å; H223-R226 PolarHBondContact O-N 2.89Å; H223-I227 PolarHBondContact O-N 2.97Å
224I90Very high82.9Confident0 Ų042.3 Ų42.30%024%0.241CC..Hα-helixtrans-60.2-49.3173.6-68.4166.3000110.2P180 L183 W196 F212 Q220 L221 F222 R226 I227 M228 Y285P180-I224 HydrophobicContact CG-CD1 4.23Å; P180-I224 HydrophobicContact CG-CG2 4.18Å; L183-I224 HydrophobicContact CD1-CD1 3.73Å; W196-I224 HydrophobicContact CH2-CG2 4.15Å; W196-I224 HydrophobicContact CZ2-CD1 3.9Å; W196-I224 HydrophobicContact CZ2-CG1 4.21Å; W196-I224 HydrophobicContact CZ2-CG2 4.48Å; F212-I224 HydrophobicContact CB-CG1 4.43Å; F212-I224 HydrophobicContact CD1-CB 4.31Å; F212-I224 HydrophobicContact CD1-CG1 3.73Å; F212-I224 HydrophobicContact CD2-CG1 3.99Å; F212-I224 HydrophobicContact CE1-CB 4.22Å; F212-I224 HydrophobicContact CE1-CG1 3.89Å; F212-I224 HydrophobicContact CE1-CG2 4.48Å; F212-I224 HydrophobicContact CE2-CG1 4.14Å; F212-I224 HydrophobicContact CG-CG1 3.78Å; F212-I224 HydrophobicContact CZ-CG1 4.09Å; Q220-I224 HydrophobicContact CG-CD1 4.15Å; Q220-I224 VanDerWaalsContact O-CG1 3.32Å; Q220-I224 WeakPolarHBondContact O-CG1 3.23Å; Q220-I224 PolarHBondContact O-N 2.72Å; L221-I224 HydrophobicContact CD1-CD1 4.47Å; L221-I224 PolarHBondContact O-N 2.83Å; F222-I224 VanDerWaalsContact C-N 3.3Å; F222-I224 PolarHBondContact O-N 3.27Å; I224-R226 VanDerWaalsContact C-N 3.29Å; I224-R226 PolarHBondContact O-N 3.13Å; I224-I227 PolarHBondContact O-N 2.92Å; I224-M228 HydrophobicContact CG2-CG 4.37Å; I224-M228 HydrophobicContact CG2-SD 3.72Å; I224-M228 WeakPolarHBondContact O-CB 3.3Å; I224-M228 PolarHBondContact O-N 3.46Å; I224-Y285 HydrophobicContact CG2-CE1 3.9Å
225F86Confident82.9Confident2 Ų244.6 Ų44.61%0.00925%0.251CS..Hα-helixtrans-64-34.7-179.6-63.7-10000112.4L221 F222 I227 G229 P231 M239 F249 W252 A256 Y285L221-F225 HydrophobicContact CD1-CE1 3.93Å; L221-F225 HydrophobicContact CD1-CZ 4.02Å; L221-F225 HydrophobicContact CD2-CE1 4.3Å; L221-F225 HydrophobicContact CD2-CE2 3.94Å; L221-F225 HydrophobicContact CD2-CZ 3.56Å; L221-F225 HydrophobicContact CG-CD1 4.47Å; L221-F225 HydrophobicContact CG-CE1 3.83Å; L221-F225 HydrophobicContact CG-CE2 3.96Å; L221-F225 HydrophobicContact CG-CZ 3.54Å; L221-F225 WeakPolarHBondContact O-CD1 3.39Å; L221-F225 WeakPolarHBondContact O-CG 3.2Å; L221-F225 PolarHBondContact O-N 3.23Å; F222-F225 PolarHBondContact O-N 3.37Å; F222-F225 VanDerWaalsContact O-N 3.13Å; F225-I227 VanDerWaalsContact C-N 3.33Å; F225-I227 PolarHBondContact O-N 3.28Å; F225-G229 CarbonylContact O-C 3.53Å; F225-G229 WeakPolarHBondContact O-CA 3.34Å; F225-G229 PolarHBondContact O-N 2.86Å; F225-P231 HydrophobicContact CE1-CG 4Å; F225-P231 HydrophobicContact CZ-CG 4.41Å; F225-M239 HydrophobicContact CE1-CE 4.33Å; F225-M239 HydrophobicContact CZ-CE 4.03Å; F225-F249 HydrophobicContact CE2-CD2 4.34Å; F225-F249 HydrophobicContact CE2-CE2 4.42Å; F225-F249 HydrophobicContact CZ-CD2 4.36Å; F225-F249 HydrophobicContact CZ-CE2 4.3Å; F225-W252 HydrophobicContact CE2-CE3 4.25Å; F225-A256 HydrophobicContact CB-CB 3.79Å; F225-Y285 HydrophobicContact CD1-CE1 4.02Å; F225-Y285 VanDerWaalsContact CD1-OH 3.26Å; F225-Y285 WeakPolarHBondContact CD1-OH 3.16Å; F225-Y285 AromaticContact CE1-CE1 3.89Å; F225-Y285 HydrophobicContact CE1-CE1 3.89Å
226R84.5Confident83.2Confident93 Ų9340.2 Ų40.235%0.35122%0.22SC..Hα-helixtrans-68-29.2177-161.8-17675.2172.84.1113.6F222 H223 I224 C259 A260 T261F222-R226 PolarHBondContact O-N 2.77Å; H223-R226 PolarHBondContact O-N 2.89Å; I224-R226 VanDerWaalsContact C-N 3.29Å; I224-R226 PolarHBondContact O-N 3.13Å; R226-C259 WeakPolarHBondContact CG-O 3.28Å; R226-A260 CarbonylContact O-C 3.53Å; R226-A260 VanDerWaalsContact O-CA 3.29Å; R226-A260 WeakPolarHBondContact O-CA 3.11Å; R226-T261 PolarHBondContact O-N 3.42Å; R226-T261 PolarHBondContact O-OG1 3.43Å
227I88.1Confident83.2Confident3 Ų345.2 Ų45.22%0.01524%0.238CC..Hα-helixtrans-100.2-25.3-177.5-67.9175.6000112.4L211 F212 H223 I224 F225 T261 L263L211-I227 HydrophobicContact CD1-CG2 4.2Å; L211-I227 WeakPolarHBondContact O-CD1 3.23Å; F212-I227 HydrophobicContact CD1-CB 4.43Å; F212-I227 HydrophobicContact CD1-CD1 4.01Å; F212-I227 HydrophobicContact CE1-CB 3.99Å; F212-I227 HydrophobicContact CE1-CD1 4.31Å; F212-I227 HydrophobicContact CE1-CG2 4.06Å; H223-I227 PolarHBondContact O-N 2.97Å; I224-I227 PolarHBondContact O-N 2.92Å; F225-I227 VanDerWaalsContact C-N 3.33Å; F225-I227 PolarHBondContact O-N 3.28Å; I227-T261 CarbonylContact C-O 3.53Å; I227-T261 WeakPolarHBondContact CA-O 3.47Å; I227-L263 HydrophobicContact CG2-CD1 3.81Å; I227-L263 WeakPolarHBondContact O-CA 3.39Å; I227-L263 PolarHBondContact O-N 2.98Å
228M87Confident83.1Confident42 Ų4246.7 Ų46.721%0.20724%0.243CC..Hα-helixtrans-103.7-8.9179.5-64.8-175.264.300113.2W196 F212 I224 I283 Y285W196-M228 HydrophobicContact CH2-CE 4.42Å; W196-M228 HydrophobicContact CH2-SD 3.58Å; W196-M228 VanDerWaalsContact CH2-SD 3.58Å; W196-M228 HydrophobicContact CZ3-CE 4.39Å; W196-M228 HydrophobicContact CZ3-SD 4.12Å; F212-M228 HydrophobicContact CE1-CG 4.43Å; F212-M228 HydrophobicContact CZ-CG 4.37Å; F212-M228 HydrophobicContact CZ-SD 4.14Å; I224-M228 HydrophobicContact CG2-CG 4.37Å; I224-M228 HydrophobicContact CG2-SD 3.72Å; I224-M228 WeakPolarHBondContact O-CB 3.3Å; I224-M228 PolarHBondContact O-N 3.46Å; M228-I283 HydrophobicContact CE-CG2 3.84Å; M228-I283 WeakPolarHBondContact CE-O 3.49Å; M228-I283 HydrophobicContact CG-CG2 4.32Å; M228-I283 HydrophobicContact SD-CG2 3.45Å; M228-I283 WeakPolarHBondContact SD-CG2 3.11Å; M228-Y285 HydrophobicContact CB-CE2 3.84Å; M228-Y285 WeakPolarHBondContact CB-OH 3.11Å; M228-Y285 HydrophobicContact CE-CD2 3.93Å; M228-Y285 HydrophobicContact CE-CE2 3.91Å; M228-Y285 HydrophobicContact CE-CG 4.34Å
229G83Confident83.1Confident16 Ų1643.4 Ų43.417%0.16523%0.226CC..  trans75.3152.9-163.600000111.7F225 Y285F225-G229 CarbonylContact O-C 3.53Å; F225-G229 WeakPolarHBondContact O-CA 3.34Å; F225-G229 PolarHBondContact O-N 2.86Å; G229-Y285 WeakPolarHBondContact O-CE2 3.5Å; G229-Y285 PolarHBondContact O-OH 3.29Å
230A78.8Confident82.8Confident18 Ų1845.4 Ų45.415%0.14924%0.24CC..PPolyproline II helixtrans-62.7131.2176.200000110.3Y253A230-Y253 HydrophobicContact CB-CD2 3.82Å; A230-Y253 HydrophobicContact CB-CE2 3.7Å
231P81Confident82.4Confident4 Ų453.3 Ų53.33%0.02627%0.274CS..PPolyproline II helixtrans-70.2137.1-175.125.3-31.6000111.9F225 D235 M239 F249 Y285F225-P231 HydrophobicContact CE1-CG 4Å; F225-P231 HydrophobicContact CZ-CG 4.41Å; P231-D235 HydrophobicContact CB-CB 4.26Å; P231-M239 HydrophobicContact CB-CE 4.43Å; P231-M239 HydrophobicContact CB-SD 3.76Å; P231-M239 HydrophobicContact CG-CE 3.39Å; P231-M239 HydrophobicContact CG-SD 3.29Å; P231-M239 WeakPolarHBondContact CG-SD 3.32Å; P231-F249 HydrophobicContact CG-CE2 3.89Å; P231-F249 HydrophobicContact CG-CZ 4.36Å; P231-Y285 HydrophobicContact CB-CD1 4.02Å; P231-Y285 HydrophobicContact CB-CD2 3.69Å; P231-Y285 HydrophobicContact CB-CE1 4.08Å; P231-Y285 HydrophobicContact CB-CE2 3.71Å; P231-Y285 HydrophobicContact CB-CG 3.83Å; P231-Y285 HydrophobicContact CG-CD1 4.17Å; P231-Y285 HydrophobicContact CG-CE1 3.91Å; P231-Y285 HydrophobicContact CG-CE2 4.26Å; P231-Y285 HydrophobicContact CG-CG 4.48Å
232T81.4Confident81.8Confident60 Ų6053.8 Ų53.837%0.36828%0.278SS..PPolyproline II helixtrans-93.2171.6171.7700000111.4S234 D235 W236T232-S234 PolarHBondContact O-N 3.13Å; T232-S234 PolarHBondContact OG1-N 2.82Å; T232-S234 PolarHBondContact OG1-OG 2.97Å; T232-D235 WeakPolarHBondContact CA-OD2 3.43Å; T232-D235 WeakPolarHBondContact CB-OD2 3.29Å; T232-D235 PolarHBondContact N-OD2 3.16Å; T232-D235 PolarHBondContact O-N 3.45Å; T232-D235 VanDerWaalsContact O-N 3.13Å; T232-D235 PolarHBondContact OG1-N 3.47Å; T232-D235 PolarHBondContact OG1-OD2 3.09Å; T232-W236 PolarHBondContact O-N 3.4Å
233T78.7Confident81.5Confident111 Ų11156.4 Ų56.468%0.68130%0.298SS*.THydrogen-bonded Turntrans-61.8-21.5170.846.40000113.2K237T233-K237 VanDerWaalsContact O-CA 3.3Å; T233-K237 WeakPolarHBondContact O-CA 3.3Å; T233-K237 PolarHBondContact O-N 3.27Å
234S81.3Confident81.1Confident83 Ų8359.5 Ų59.558%0.5831%0.309SS*.THydrogen-bonded Turntrans-73.2-37174.283.80000112T232 K289T232-S234 PolarHBondContact O-N 3.13Å; T232-S234 PolarHBondContact OG1-N 2.82Å; T232-S234 PolarHBondContact OG1-OG 2.97Å; S234-K289 PolarHBondContact O-NZ 3.01Å
235D82.2Confident80.3Confident60 Ų6061.8 Ų61.832%0.32132%0.318SS..THydrogen-bonded Turntrans-67.8-51.6-179.7-61.1-58.3000110P231 T232 Y285 D286 K289P231-D235 HydrophobicContact CB-CB 4.26Å; T232-D235 WeakPolarHBondContact CA-OD2 3.43Å; T232-D235 WeakPolarHBondContact CB-OD2 3.29Å; T232-D235 PolarHBondContact N-OD2 3.16Å; T232-D235 PolarHBondContact O-N 3.45Å; T232-D235 VanDerWaalsContact O-N 3.13Å; T232-D235 PolarHBondContact OG1-N 3.47Å; T232-D235 PolarHBondContact OG1-OD2 3.09Å; D235-Y285 HydrophobicContact CB-CD2 4.2Å; D235-D286 WeakPolarHBondContact O-CB 3.3Å; D235-K289 PolarHBondContact O-NZ 3.14Å
236W82.7Confident79.7Confident6 Ų664.2 Ų64.22%0.02334%0.343CS..  trans-142.290.1179.7-173.315000113P180 E181 L184 T232 K238 M239 V242 D286P180-W236 HydrophobicContact CB-CZ3 4.45Å; E181-W236 HydrophobicContact CB-CH2 3.68Å; E181-W236 HydrophobicContact CB-CZ2 4.36Å; E181-W236 HydrophobicContact CB-CZ3 4.49Å; L184-W236 HydrophobicContact CD1-CZ3 3.99Å; T232-W236 PolarHBondContact O-N 3.4Å; W236-K238 PolarHBondContact O-N 2.91Å; W236-M239 HydrophobicContact CB-CB 4Å; W236-M239 HydrophobicContact CD2-CB 3.73Å; W236-M239 HydrophobicContact CD2-CG 4.04Å; W236-M239 HydrophobicContact CE3-CB 3.8Å; W236-M239 HydrophobicContact CE3-CG 3.56Å; W236-M239 HydrophobicContact CE3-SD 4.13Å; W236-M239 HydrophobicContact CG-CB 3.84Å; W236-M239 HydrophobicContact CZ3-CG 4.02Å; W236-M239 VanDerWaalsContact O-CB 3.25Å; W236-M239 WeakPolarHBondContact O-CB 3.49Å; W236-M239 PolarHBondContact O-N 2.92Å; W236-V242 HydrophobicContact CH2-CG2 3.54Å; W236-V242 HydrophobicContact CZ2-CG2 3.6Å; W236-V242 HydrophobicContact CZ3-CG2 4.28Å; W236-D286 HydrophobicContact CB-CB 4.23Å; W236-D286 HydrophobicContact CG-CB 4.15Å
237K80.5Confident79.1Confident177 Ų17764.7 Ų64.777%0.7735%0.353SS*.THydrogen-bonded Turntrans-54-21.5-177.1-154.4175-171.8175.30115.8T233T233-K237 VanDerWaalsContact O-CA 3.3Å; T233-K237 WeakPolarHBondContact O-CA 3.3Å; T233-K237 PolarHBondContact O-N 3.27Å
238K77.9Confident78Confident113 Ų11366.1 Ų66.149%0.49136%0.358SS..THydrogen-bonded Turntrans-110.712.6-179.6-67.7-171.6178.6-176.80113.2W236 T240 K241W236-K238 PolarHBondContact O-N 2.91Å; K238-T240 VanDerWaalsContact C-N 3.31Å; K238-T240 PolarHBondContact O-N 2.95Å; K238-K241 WeakPolarHBondContact O-CB 3.47Å; K238-K241 PolarHBondContact O-N 3.33Å; K238-K241 VanDerWaalsContact O-N 3.08Å
239M77.3Confident77Confident6 Ų665.3 Ų65.33%0.0335%0.354CS..G310 helixtrans-62.7-36.5-177.1-168.9-179.3179.200113L184 F225 P231 W236 K241 V242 Y245 F249L184-M239 HydrophobicContact CD1-CE 3.73Å; L184-M239 HydrophobicContact CD1-CG 4.4Å; F225-M239 HydrophobicContact CE1-CE 4.33Å; F225-M239 HydrophobicContact CZ-CE 4.03Å; P231-M239 HydrophobicContact CB-CE 4.43Å; P231-M239 HydrophobicContact CB-SD 3.76Å; P231-M239 HydrophobicContact CG-CE 3.39Å; P231-M239 HydrophobicContact CG-SD 3.29Å; P231-M239 WeakPolarHBondContact CG-SD 3.32Å; W236-M239 HydrophobicContact CB-CB 4Å; W236-M239 HydrophobicContact CD2-CB 3.73Å; W236-M239 HydrophobicContact CD2-CG 4.04Å; W236-M239 HydrophobicContact CE3-CB 3.8Å; W236-M239 HydrophobicContact CE3-CG 3.56Å; W236-M239 HydrophobicContact CE3-SD 4.13Å; W236-M239 HydrophobicContact CG-CB 3.84Å; W236-M239 HydrophobicContact CZ3-CG 4.02Å; W236-M239 VanDerWaalsContact O-CB 3.25Å; W236-M239 WeakPolarHBondContact O-CB 3.49Å; W236-M239 PolarHBondContact O-N 2.92Å; M239-K241 PolarHBondContact O-N 3.38Å; M239-V242 WeakPolarHBondContact O-CG2 3.5Å; M239-V242 PolarHBondContact O-N 3.48Å; M239-V242 VanDerWaalsContact O-N 3.15Å; M239-Y245 HydrophobicContact CB-CD2 4.5Å; M239-Y245 HydrophobicContact CB-CE2 4.36Å; M239-Y245 HydrophobicContact CE-CD2 4.03Å; M239-Y245 HydrophobicContact CE-CE2 3.9Å; M239-Y245 HydrophobicContact CG-CD2 3.67Å; M239-Y245 HydrophobicContact CG-CE2 3.68Å; M239-Y245 WeakPolarHBondContact O-CD2 3.44Å; M239-Y245 HydrophobicContact SD-CD2 4.26Å; M239-Y245 HydrophobicContact SD-CE2 3.81Å; M239-F249 HydrophobicContact CE-CD2 4Å; M239-F249 HydrophobicContact CE-CE2 3.74Å; M239-F249 HydrophobicContact SD-CE2 4.18Å
240T75.8Confident76.1Confident85 Ų8569.4 Ų69.452%0.52138%0.377SS..G310 helixtrans-63.3-14.6176.3570000113.7K238 Y245K238-T240 VanDerWaalsContact C-N 3.31Å; K238-T240 PolarHBondContact O-N 2.95Å; T240-Y245 HydrophobicContact CG2-CD1 4.24Å; T240-Y245 HydrophobicContact CG2-CE1 3.67Å
241K78.4Confident75.4Confident166 Ų16676 Ų7672%0.72240%0.403SS*.G310 helixtrans-94.53.4-179.9-55.9-166.3176.8-163.70113.5K238 M239K238-K241 WeakPolarHBondContact O-CB 3.47Å; K238-K241 PolarHBondContact O-N 3.33Å; K238-K241 VanDerWaalsContact O-N 3.08Å; M239-K241 PolarHBondContact O-N 3.38Å
242V73.6Confident74.5Confident12 Ų1277 Ų777%0.07341%0.406CS..SBendtrans-87.3136.8-178-159.30000108.4L184 R186 W236 M239 R244 Y245L184-V242 HydrophobicContact CB-CB 4.04Å; L184-V242 HydrophobicContact CB-CG1 3.45Å; L184-V242 VanDerWaalsContact CB-CG1 3.45Å; L184-V242 WeakPolarHBondContact O-CG1 3.21Å; R186-V242 HydrophobicContact CB-CG1 3.99Å; W236-V242 HydrophobicContact CH2-CG2 3.54Å; W236-V242 HydrophobicContact CZ2-CG2 3.6Å; W236-V242 HydrophobicContact CZ3-CG2 4.28Å; M239-V242 WeakPolarHBondContact O-CG2 3.5Å; M239-V242 PolarHBondContact O-N 3.48Å; M239-V242 VanDerWaalsContact O-N 3.15Å; V242-R244 VanDerWaalsContact C-N 3.29Å; V242-R244 PolarHBondContact O-N 3.48Å; V242-Y245 WeakPolarHBondContact O-CB 3.49Å; V242-Y245 PolarHBondContact O-N 2.69Å
243P77Confident73.6Confident96 Ų9679.3 Ų79.362%0.62341%0.408SS*.THydrogen-bonded Turntrans-53.3-36.1-162.1-32.237.7000116.6
244R77.2Confident72.8Confident96 Ų9676.1 Ų76.136%0.36240%0.398SS..THydrogen-bonded Turntrans-100.714.1-178.1-65.7-179.5165.5179.2-4.5114.4L184 E217 V242L184-R244 WeakPolarHBondContact O-CB 3.35Å; L184-R244 PolarHBondContact O-N 3.43Å; E217-R244 IonicContact OE2-NH1 3.15Å; E217-R244 PolarHBondContact OE2-NH1 2.87Å; V242-R244 VanDerWaalsContact C-N 3.29Å; V242-R244 PolarHBondContact O-N 3.48Å
245Y74.5Confident71.9Confident48 Ų4878.4 Ų78.419%0.18840%0.399CS..Hα-helixtrans-61.6-52.5-177.3179.2-94.4000112.3M239 T240 V242 D247 W248 F249M239-Y245 HydrophobicContact CB-CD2 4.5Å; M239-Y245 HydrophobicContact CB-CE2 4.36Å; M239-Y245 HydrophobicContact CE-CD2 4.03Å; M239-Y245 HydrophobicContact CE-CE2 3.9Å; M239-Y245 HydrophobicContact CG-CD2 3.67Å; M239-Y245 HydrophobicContact CG-CE2 3.68Å; M239-Y245 WeakPolarHBondContact O-CD2 3.44Å; M239-Y245 HydrophobicContact SD-CD2 4.26Å; M239-Y245 HydrophobicContact SD-CE2 3.81Å; T240-Y245 HydrophobicContact CG2-CD1 4.24Å; T240-Y245 HydrophobicContact CG2-CE1 3.67Å; V242-Y245 WeakPolarHBondContact O-CB 3.49Å; V242-Y245 PolarHBondContact O-N 2.69Å; Y245-D247 VanDerWaalsContact C-N 3.29Å; Y245-D247 PolarHBondContact O-N 3.3Å; Y245-W248 PolarHBondContact O-N 3.4Å; Y245-F249 HydrophobicContact CD1-CB 4.47Å; Y245-F249 HydrophobicContact CD2-CB 4.26Å; Y245-F249 HydrophobicContact CD2-CD2 4.02Å; Y245-F249 HydrophobicContact CD2-CG 4.25Å; Y245-F249 HydrophobicContact CE1-CB 4.17Å; Y245-F249 HydrophobicContact CE1-CD1 4.36Å; Y245-F249 HydrophobicContact CE1-CG 4.23Å; Y245-F249 HydrophobicContact CE2-CB 3.96Å; Y245-F249 HydrophobicContact CE2-CD1 4.05Å; Y245-F249 AromaticContact CE2-CD2 3.33Å; Y245-F249 HydrophobicContact CE2-CD2 3.33Å; Y245-F249 HydrophobicContact CE2-CE1 4.34Å; Y245-F249 AromaticContact CE2-CE2 3.7Å; Y245-F249 HydrophobicContact CE2-CE2 3.7Å; Y245-F249 AromaticContact CE2-CG 3.52Å; Y245-F249 HydrophobicContact CE2-CG 3.52Å; Y245-F249 HydrophobicContact CE2-CZ 4.17Å; Y245-F249 AromaticContact CZ-CD1 3.62Å; Y245-F249 AromaticContact CZ-CD2 3.82Å; Y245-F249 AromaticContact CZ-CE1 3.98Å; Y245-F249 AromaticContact CZ-CG 3.51Å; Y245-F249 VanDerWaalsContact O-CB 3.26Å; Y245-F249 WeakPolarHBondContact O-CB 3.31Å; Y245-F249 PolarHBondContact O-N 3.28Å; Y245-F249 WeakPolarHBondContact OH-CD1 3.45Å; Y245-F249 WeakPolarHBondContact OH-CE1 3.45Å
246G72.2Confident70.7Confident53 Ų5375.5 Ų75.555%0.54638%0.384SS..Hα-helixtrans-64.7-32.7-176.500000113.5W248 P250G246-W248 VanDerWaalsContact C-N 3.27Å; G246-W248 PolarHBondContact O-N 3.01Å; G246-P250 VanDerWaalsContact O-CD 3.23Å; G246-P250 WeakPolarHBondContact O-CD 3.35Å
247D72.6Confident69.6Low103 Ų10377.9 Ų77.955%0.55140%0.401SS*.Hα-helixtrans-66-33.6-179.1-58.2-21.8000111.8Y245Y245-D247 VanDerWaalsContact C-N 3.29Å; Y245-D247 PolarHBondContact O-N 3.3Å
248W65.5Low68.4Low33 Ų3376.3 Ų76.313%0.12540%0.401CS..Hα-helixtrans-116.1-34.7-159.3-70.417.9000112.6E217 I218 L221 Y245 G246 K251 W252E217-W248 HydrophobicContact CB-CH2 3.91Å; E217-W248 HydrophobicContact CB-CZ3 4.26Å; I218-W248 HydrophobicContact CB-CZ3 4.44Å; I218-W248 HydrophobicContact CD1-CH2 4.41Å; I218-W248 HydrophobicContact CD1-CZ2 4.21Å; I218-W248 HydrophobicContact CG1-CD2 4.35Å; I218-W248 HydrophobicContact CG1-CE3 4.14Å; I218-W248 HydrophobicContact CG1-CH2 3.47Å; I218-W248 VanDerWaalsContact CG1-CH2 3.47Å; I218-W248 HydrophobicContact CG1-CZ2 3.7Å; I218-W248 HydrophobicContact CG1-CZ3 3.69Å; L221-W248 HydrophobicContact CD2-CE3 4.08Å; Y245-W248 PolarHBondContact O-N 3.4Å; G246-W248 VanDerWaalsContact C-N 3.27Å; G246-W248 PolarHBondContact O-N 3.01Å; W248-K251 PolarHBondContact O-N 2.77Å; W248-W252 HydrophobicContact CB-CE3 4.23Å; W248-W252 HydrophobicContact CB-CH2 3.67Å; W248-W252 HydrophobicContact CB-CZ3 3.53Å; W248-W252 AromaticContact CD2-CH2 3.6Å; W248-W252 HydrophobicContact CD2-CH2 3.6Å; W248-W252 HydrophobicContact CD2-CZ3 4Å; W248-W252 AromaticContact CE3-CH2 3.43Å; W248-W252 HydrophobicContact CE3-CH2 3.43Å; W248-W252 VanDerWaalsContact CE3-CH2 3.43Å; W248-W252 AromaticContact CE3-CZ3 3.6Å; W248-W252 HydrophobicContact CE3-CZ3 3.6Å; W248-W252 AromaticContact CG-CH2 3.69Å; W248-W252 HydrophobicContact CG-CH2 3.69Å; W248-W252 AromaticContact CG-CZ3 4Å; W248-W252 HydrophobicContact CG-CZ3 4Å; W248-W252 HydrophobicContact CZ3-CH2 4.22Å
249F65.9Low67.3Low26 Ų2673.8 Ų73.811%0.11440%0.397CS..Hα-helixtrans-63.2-45-174.5-152.5-102.4000114.5F225 P231 M239 Y245 K251 W252 Y253F225-F249 HydrophobicContact CE2-CD2 4.34Å; F225-F249 HydrophobicContact CE2-CE2 4.42Å; F225-F249 HydrophobicContact CZ-CD2 4.36Å; F225-F249 HydrophobicContact CZ-CE2 4.3Å; P231-F249 HydrophobicContact CG-CE2 3.89Å; P231-F249 HydrophobicContact CG-CZ 4.36Å; M239-F249 HydrophobicContact CE-CD2 4Å; M239-F249 HydrophobicContact CE-CE2 3.74Å; M239-F249 HydrophobicContact SD-CE2 4.18Å; Y245-F249 HydrophobicContact CD1-CB 4.47Å; Y245-F249 HydrophobicContact CD2-CB 4.26Å; Y245-F249 HydrophobicContact CD2-CD2 4.02Å; Y245-F249 HydrophobicContact CD2-CG 4.25Å; Y245-F249 HydrophobicContact CE1-CB 4.17Å; Y245-F249 HydrophobicContact CE1-CD1 4.36Å; Y245-F249 HydrophobicContact CE1-CG 4.23Å; Y245-F249 HydrophobicContact CE2-CB 3.96Å; Y245-F249 HydrophobicContact CE2-CD1 4.05Å; Y245-F249 AromaticContact CE2-CD2 3.33Å; Y245-F249 HydrophobicContact CE2-CD2 3.33Å; Y245-F249 HydrophobicContact CE2-CE1 4.34Å; Y245-F249 AromaticContact CE2-CE2 3.7Å; Y245-F249 HydrophobicContact CE2-CE2 3.7Å; Y245-F249 AromaticContact CE2-CG 3.52Å; Y245-F249 HydrophobicContact CE2-CG 3.52Å; Y245-F249 HydrophobicContact CE2-CZ 4.17Å; Y245-F249 AromaticContact CZ-CD1 3.62Å; Y245-F249 AromaticContact CZ-CD2 3.82Å; Y245-F249 AromaticContact CZ-CE1 3.98Å; Y245-F249 AromaticContact CZ-CG 3.51Å; Y245-F249 VanDerWaalsContact O-CB 3.26Å; Y245-F249 WeakPolarHBondContact O-CB 3.31Å; Y245-F249 PolarHBondContact O-N 3.28Å; Y245-F249 WeakPolarHBondContact OH-CD1 3.45Å; Y245-F249 WeakPolarHBondContact OH-CE1 3.45Å; F249-K251 PolarHBondContact O-N 3Å; F249-W252 PolarHBondContact O-N 2.9Å; F249-Y253 AromaticContact CD1-CD2 3.95Å; F249-Y253 HydrophobicContact CD1-CD2 3.95Å; F249-Y253 AromaticContact CE1-CD2 3.15Å; F249-Y253 HydrophobicContact CE1-CD2 3.15Å; F249-Y253 AromaticContact CE1-CE2 3.53Å; F249-Y253 HydrophobicContact CE1-CE2 3.53Å; F249-Y253 HydrophobicContact CE1-CG 4.05Å; F249-Y253 HydrophobicContact CE2-CD2 4.36Å; F249-Y253 AromaticContact CZ-CD2 3.41Å; F249-Y253 HydrophobicContact CZ-CD2 3.41Å; F249-Y253 VanDerWaalsContact CZ-CD2 3.41Å; F249-Y253 AromaticContact CZ-CE2 3.61Å; F249-Y253 HydrophobicContact CZ-CE2 3.61Å; F249-Y253 PolarHBondContact O-N 3.45Å; F249-Y253 VanDerWaalsContact O-N 3.13Å
250P63.8Low66.4Low101 Ų10175.6 Ų75.666%0.65641%0.414SS*.Hα-helixtrans-64.2-28.7-178.6-20.532.7000113.5G246 W252G246-P250 VanDerWaalsContact O-CD 3.23Å; G246-P250 WeakPolarHBondContact O-CD 3.35Å; P250-W252 VanDerWaalsContact C-N 3.31Å; P250-W252 PolarHBondContact O-N 2.98Å
251K64.8Low65.8Low157 Ų15774.5 Ų74.568%0.68341%0.407SS*.Hα-helixtrans-71.3-24.9-178.2-75.8-175.4175.5179.20113.2W248 F249W248-K251 PolarHBondContact O-N 2.77Å; F249-K251 PolarHBondContact O-N 3Å
252W61.8Low65.7Low26 Ų2671.1 Ų71.110%0.09840%0.396CS..Hα-helixtrans-120.1-18.2-169.5-56.2-38.2000114.7I218 L221 F222 F225 W248 F249 P250 G254 Q255 A256I218-W252 HydrophobicContact CB-CH2 3.95Å; I218-W252 HydrophobicContact CB-CZ2 4.06Å; I218-W252 HydrophobicContact CG1-CH2 3.9Å; I218-W252 HydrophobicContact CG1-CZ2 4.18Å; I218-W252 HydrophobicContact CG2-CH2 3.55Å; I218-W252 HydrophobicContact CG2-CZ2 3.18Å; L221-W252 HydrophobicContact CB-CZ3 4.14Å; L221-W252 HydrophobicContact CD2-CE3 4.27Å; L221-W252 HydrophobicContact CD2-CZ3 3.75Å; L221-W252 HydrophobicContact CG-CZ3 4.39Å; F222-W252 HydrophobicContact CD2-CB 4.28Å; F222-W252 HydrophobicContact CD2-CG 4.21Å; F225-W252 HydrophobicContact CE2-CE3 4.25Å; W248-W252 HydrophobicContact CB-CE3 4.23Å; W248-W252 HydrophobicContact CB-CH2 3.67Å; W248-W252 HydrophobicContact CB-CZ3 3.53Å; W248-W252 AromaticContact CD2-CH2 3.6Å; W248-W252 HydrophobicContact CD2-CH2 3.6Å; W248-W252 HydrophobicContact CD2-CZ3 4Å; W248-W252 AromaticContact CE3-CH2 3.43Å; W248-W252 HydrophobicContact CE3-CH2 3.43Å; W248-W252 VanDerWaalsContact CE3-CH2 3.43Å; W248-W252 AromaticContact CE3-CZ3 3.6Å; W248-W252 HydrophobicContact CE3-CZ3 3.6Å; W248-W252 AromaticContact CG-CH2 3.69Å; W248-W252 HydrophobicContact CG-CH2 3.69Å; W248-W252 AromaticContact CG-CZ3 4Å; W248-W252 HydrophobicContact CG-CZ3 4Å; W248-W252 HydrophobicContact CZ3-CH2 4.22Å; F249-W252 PolarHBondContact O-N 2.9Å; P250-W252 VanDerWaalsContact C-N 3.31Å; P250-W252 PolarHBondContact O-N 2.98Å; W252-G254 VanDerWaalsContact C-N 3.28Å; W252-G254 PolarHBondContact O-N 2.82Å; W252-Q255 PolarHBondContact O-N 3.27Å; W252-Q255 VanDerWaalsContact O-N 3.16Å; W252-A256 WeakPolarHBondContact O-CB 3.27Å; W252-A256 PolarHBondContact O-N 3.47Å
253Y62Low66.2Low107 Ų10771 Ų7142%0.4240%0.395SS..Hα-helixtrans-54.8-44.1-174.2-164.4-97.1000112.5A230 F249 S257A230-Y253 HydrophobicContact CB-CD2 3.82Å; A230-Y253 HydrophobicContact CB-CE2 3.7Å; F249-Y253 AromaticContact CD1-CD2 3.95Å; F249-Y253 HydrophobicContact CD1-CD2 3.95Å; F249-Y253 AromaticContact CE1-CD2 3.15Å; F249-Y253 HydrophobicContact CE1-CD2 3.15Å; F249-Y253 AromaticContact CE1-CE2 3.53Å; F249-Y253 HydrophobicContact CE1-CE2 3.53Å; F249-Y253 HydrophobicContact CE1-CG 4.05Å; F249-Y253 HydrophobicContact CE2-CD2 4.36Å; F249-Y253 AromaticContact CZ-CD2 3.41Å; F249-Y253 HydrophobicContact CZ-CD2 3.41Å; F249-Y253 VanDerWaalsContact CZ-CD2 3.41Å; F249-Y253 AromaticContact CZ-CE2 3.61Å; F249-Y253 HydrophobicContact CZ-CE2 3.61Å; F249-Y253 PolarHBondContact O-N 3.45Å; F249-Y253 VanDerWaalsContact O-N 3.13Å; Y253-S257 WeakPolarHBondContact O-CB 3.26Å; Y253-S257 PolarHBondContact O-N 3.46Å; Y253-S257 PolarHBondContact O-OG 2.93Å
254G62.8Low66.7Low45 Ų4571.2 Ų71.246%0.46438%0.384SS..Hα-helixtrans-69.5-43.6177.800000113.6W252 S257W252-G254 VanDerWaalsContact C-N 3.28Å; W252-G254 PolarHBondContact O-N 2.82Å; G254-S257 PolarHBondContact O-OG 2.99Å
255Q61.4Low67.1Low130 Ų13071.7 Ų71.761%0.60739%0.39SS*.Hα-helixtrans-71.2-37-177.7-76.5-178-13.200112.9F222 W252 C259F222-Q255 HydrophobicContact CE2-CB 4.12Å; W252-Q255 PolarHBondContact O-N 3.27Å; W252-Q255 VanDerWaalsContact O-N 3.16Å; Q255-C259 PolarHBondContact O-SG 3.46Å
256A58.2Low67.5Low0 Ų073.5 Ų73.50%040%0.4CS..Hα-helixtrans-82.9-27.8-175.300000113.5F222 F225 W252 D258 A260F222-A256 HydrophobicContact CD2-CB 4.48Å; F222-A256 HydrophobicContact CE2-CB 4.17Å; F225-A256 HydrophobicContact CB-CB 3.79Å; W252-A256 WeakPolarHBondContact O-CB 3.27Å; W252-A256 PolarHBondContact O-N 3.47Å; A256-D258 VanDerWaalsContact C-N 3.33Å; A256-A260 PolarHBondContact O-N 3.46Å
257S59.1Low68.3Low55 Ų5571 Ų7139%0.38537%0.374SS..Hα-helixtrans-66.3-37.317866.10000112.3Y253 G254 C259Y253-S257 WeakPolarHBondContact O-CB 3.26Å; Y253-S257 PolarHBondContact O-N 3.46Å; Y253-S257 PolarHBondContact O-OG 2.93Å; G254-S257 PolarHBondContact O-OG 2.99Å; S257-C259 VanDerWaalsContact C-N 3.26Å; S257-C259 PolarHBondContact O-N 3.31Å
258D55.6Low69Low144 Ų14470.9 Ų70.977%0.7737%0.369SS*.THydrogen-bonded Turntrans-74.5-17.9-173-66.9-5.3000113A256A256-D258 VanDerWaalsContact C-N 3.33Å
259C54Low70Confident60 Ų6076.1 Ų76.141%0.40540%0.4SS..THydrogen-bonded Turntrans-123.420.1-179.952.50000113.5R226 Q255 S257 T261R226-C259 WeakPolarHBondContact CG-O 3.28Å; Q255-C259 PolarHBondContact O-SG 3.46Å; S257-C259 VanDerWaalsContact C-N 3.26Å; S257-C259 PolarHBondContact O-N 3.31Å; C259-T261 PolarHBondContact O-N 2.8Å; C259-T261 VanDerWaalsContact O-N 3.13Å
260A59.1Low71Confident45 Ų4577.3 Ų77.337%0.37241%0.411SS..  trans-65.5110.7177.500000111.2R226 A256R226-A260 CarbonylContact O-C 3.53Å; R226-A260 VanDerWaalsContact O-CA 3.29Å; R226-A260 WeakPolarHBondContact O-CA 3.11Å; A256-A260 PolarHBondContact O-N 3.46Å
261T62.3Low72.1Confident62 Ų6273.2 Ų73.238%0.3838%0.383SS..  trans-84.4136164.850.40000108.1R226 I227 C259R226-T261 PolarHBondContact O-N 3.42Å; R226-T261 PolarHBondContact O-OG1 3.43Å; I227-T261 CarbonylContact C-O 3.53Å; I227-T261 WeakPolarHBondContact CA-O 3.47Å; C259-T261 PolarHBondContact O-N 2.8Å; C259-T261 VanDerWaalsContact O-N 3.13Å
262N77Confident73.2Confident94 Ų9469.4 Ų69.450%0.50337%0.371SS..  trans-70.1133175.9-175.5-32.9000108.8R264 E265 H266N262-R264 PolarHBondContact O-N 3.31Å; N262-R264 WeakPolarHBondContact OD1-CB 3.31Å; N262-R264 PolarHBondContact OD1-N 3.27Å; N262-E265 HydrophobicContact CB-CB 4.27Å; N262-E265 HydrophobicContact CB-CG 4.36Å; N262-E265 WeakPolarHBondContact O-CA 3.45Å; N262-E265 VanDerWaalsContact O-CB 3.31Å; N262-E265 WeakPolarHBondContact O-CB 3.46Å; N262-E265 PolarHBondContact O-N 2.79Å; N262-H266 PolarHBondContact O-N 3.46Å; N262-H266 VanDerWaalsContact O-N 3.14Å
263L83.7Confident74.5Confident10 Ų1073 Ų735%0.05239%0.388CS..Hα-helixtrans-47.6-37.6176.7179.363.1000112.2L211 I227 H266 L267 Q280 I283L211-L263 HydrophobicContact CD1-CD1 3.93Å; L211-L263 HydrophobicContact CD2-CD1 4.03Å; I227-L263 HydrophobicContact CG2-CD1 3.81Å; I227-L263 WeakPolarHBondContact O-CA 3.39Å; I227-L263 PolarHBondContact O-N 2.98Å; L263-H266 PolarHBondContact O-N 3.49Å; L263-L267 HydrophobicContact CD1-CD1 3.68Å; L263-L267 HydrophobicContact CD1-CG 4.48Å; L263-L267 HydrophobicContact CG-CD1 3.89Å; L263-L267 WeakPolarHBondContact O-CD1 3.32Å; L263-L267 WeakPolarHBondContact O-CG 3.49Å; L263-L267 PolarHBondContact O-N 2.82Å; L263-Q280 HydrophobicContact CD2-CG 4.09Å; L263-I283 HydrophobicContact CD2-CB 4.12Å; L263-I283 HydrophobicContact CD2-CG2 4.02Å
264R87Confident75.8Confident100 Ų10071.3 Ų71.338%0.37739%0.387SS..Hα-helixtrans-61.8-44.8175178.6172.8-172.8120.8-4.5112.8N262 H266 L267 K268 E273 I276N262-R264 PolarHBondContact O-N 3.31Å; N262-R264 WeakPolarHBondContact OD1-CB 3.31Å; N262-R264 PolarHBondContact OD1-N 3.27Å; R264-H266 VanDerWaalsContact C-N 3.27Å; R264-H266 PolarHBondContact O-N 3.45Å; R264-L267 PolarHBondContact O-N 3.28Å; R264-K268 PolarHBondContact O-N 3.08Å; R264-E273 IonicContact CZ-OE1 3.4Å; R264-E273 IonicContact CZ-OE2 3.51Å; R264-E273 IonicContact NE-OE1 3.95Å; R264-E273 IonicContact NH1-OE2 2.74Å; R264-E273 PolarHBondContact NH1-OE2 3.12Å; R264-E273 VanDerWaalsContact NH1-OE2 3.15Å; R264-E273 IonicContact NH2-OE1 2.7Å; R264-E273 PolarHBondContact NH2-OE1 3.03Å; R264-E273 IonicContact NH2-OE2 3.99Å; R264-E273 PolarHBondContact NH2-OE2 3.27Å; R264-I276 HydrophobicContact CB-CG2 4.16Å; R264-I276 HydrophobicContact CG-CD1 4.46Å; R264-I276 HydrophobicContact CG-CG2 4.04Å
265E85.2Confident77.1Confident107 Ų10769.2 Ų69.250%0.537%0.365SS..Hα-helixtrans-61.7-37.2177.2-88.8-71136.700111.5N262 L267 K268N262-E265 HydrophobicContact CB-CB 4.27Å; N262-E265 HydrophobicContact CB-CG 4.36Å; N262-E265 WeakPolarHBondContact O-CA 3.45Å; N262-E265 VanDerWaalsContact O-CB 3.31Å; N262-E265 WeakPolarHBondContact O-CB 3.46Å; N262-E265 PolarHBondContact O-N 2.79Å; E265-L267 PolarHBondContact O-N 2.72Å; E265-K268 VanDerWaalsContact CD-NZ 3.3Å; E265-K268 IonicContact OE1-NZ 2.98Å; E265-K268 PolarHBondContact OE1-NZ 2.95Å; E265-K268 VanDerWaalsContact OE1-NZ 3.16Å; E265-K268 WeakPolarHBondContact OE2-CE 3.49Å; E265-K268 IonicContact OE2-NZ 2.74Å; E265-K268 PolarHBondContact OE2-NZ 3.25Å
266H84.3Confident78.6Confident86 Ų8663.1 Ų63.140%0.39834%0.336SS..Hα-helixtrans-68.2-18.8179.2-15584.4000114N262 L263 R264N262-H266 PolarHBondContact O-N 3.46Å; N262-H266 VanDerWaalsContact O-N 3.14Å; L263-H266 PolarHBondContact O-N 3.49Å; R264-H266 VanDerWaalsContact C-N 3.27Å; R264-H266 PolarHBondContact O-N 3.45Å
267L88Confident80.4Confident0 Ų065.2 Ų65.20%035%0.351CS..Hα-helixtrans-120.6-6.2-169.9-65.2165.2000113.7A203 T207 L263 R264 E265 D269 S270 L271 I276 L279A203-L267 HydrophobicContact CB-CD2 4.38Å; T207-L267 HydrophobicContact CG2-CD2 3.88Å; L263-L267 HydrophobicContact CD1-CD1 3.68Å; L263-L267 HydrophobicContact CD1-CG 4.48Å; L263-L267 HydrophobicContact CG-CD1 3.89Å; L263-L267 WeakPolarHBondContact O-CD1 3.32Å; L263-L267 WeakPolarHBondContact O-CG 3.49Å; L263-L267 PolarHBondContact O-N 2.82Å; R264-L267 PolarHBondContact O-N 3.28Å; E265-L267 PolarHBondContact O-N 2.72Å; L267-D269 PolarHBondContact O-N 3.47Å; L267-D269 VanDerWaalsContact O-N 3.16Å; L267-S270 PolarHBondContact O-N 3.39Å; L267-L271 HydrophobicContact CD2-CD1 4.35Å; L267-L271 PolarHBondContact O-N 2.79Å; L267-I276 HydrophobicContact CB-CG1 4.22Å; L267-L279 HydrophobicContact CD1-CD2 3.35Å; L267-L279 HydrophobicContact CD1-CG 4.23Å; L267-L279 HydrophobicContact CD2-CD2 4.15Å; L267-L279 HydrophobicContact CG-CD2 4.39Å
268K86.9Confident82.1Confident100 Ų10062.6 Ų62.644%0.43533%0.333SS..THydrogen-bonded Turntrans-59.1-29.6-173.271.6-174.3-177.2-172.90113.8R264 E265R264-K268 PolarHBondContact O-N 3.08Å; E265-K268 VanDerWaalsContact CD-NZ 3.3Å; E265-K268 IonicContact OE1-NZ 2.98Å; E265-K268 PolarHBondContact OE1-NZ 2.95Å; E265-K268 VanDerWaalsContact OE1-NZ 3.16Å; E265-K268 WeakPolarHBondContact OE2-CE 3.49Å; E265-K268 IonicContact OE2-NZ 2.74Å; E265-K268 PolarHBondContact OE2-NZ 3.25Å
269D86.4Confident84Confident144 Ų14455.8 Ų55.877%0.7730%0.296SS*.THydrogen-bonded Turntrans-89.2-11.3-180-57.5-40.5000112.5L267L267-D269 PolarHBondContact O-N 3.47Å; L267-D269 VanDerWaalsContact O-N 3.16Å
270S87.7Confident85.9Confident50 Ų5056.1 Ų56.135%0.3529%0.292SS..THydrogen-bonded Turntrans-112.6-23.4-174-53.90000113.9A206 L267A206-S270 WeakPolarHBondContact O-CB 3.07Å; L267-S270 PolarHBondContact O-N 3.39Å
271L87.3Confident87.6Confident16 Ų1655.8 Ų55.88%0.08429%0.287CS..SBendtrans-133.7144.6-176.9-70.9175.8000111.9F202 A206 L267 I276 L279F202-L271 HydrophobicContact CE1-CD1 4.38Å; F202-L271 HydrophobicContact CE2-CD1 4.02Å; F202-L271 HydrophobicContact CE2-CD2 3.48Å; F202-L271 VanDerWaalsContact CE2-CD2 3.48Å; F202-L271 HydrophobicContact CE2-CG 4.42Å; F202-L271 HydrophobicContact CZ-CD1 3.84Å; F202-L271 HydrophobicContact CZ-CD2 3.69Å; F202-L271 HydrophobicContact CZ-CG 4.45Å; A206-L271 HydrophobicContact CB-CD1 4.23Å; A206-L271 HydrophobicContact CB-CD2 3.76Å; A206-L271 HydrophobicContact CB-CG 3.84Å; L267-L271 HydrophobicContact CD2-CD1 4.35Å; L267-L271 PolarHBondContact O-N 2.79Å; L271-I276 HydrophobicContact CB-CG1 3.84Å; L271-L279 HydrophobicContact CD1-CD2 3.85Å
272D87Confident89.3Confident77 Ų7752.9 Ų52.941%0.41227%0.269SS..  trans-67.3165.5167.572.234000111.6K114 N274 G275 I276K114-D272 IonicContact NZ-OD2 2.91Å; D272-N274 PolarHBondContact O-N 3.27Å; D272-N274 VanDerWaalsContact O-N 3.16Å; D272-N274 WeakPolarHBondContact OD1-CA 3.2Å; D272-N274 WeakPolarHBondContact OD1-CB 3.46Å; D272-N274 PolarHBondContact OD1-N 2.98Å; D272-G275 WeakPolarHBondContact O-CA 3.4Å; D272-G275 PolarHBondContact O-N 3.24Å; D272-G275 PolarHBondContact OD1-N 3.45Å; D272-I276 WeakPolarHBondContact O-CG1 3Å; D272-I276 PolarHBondContact O-N 3.48Å
273E88.9Confident90.1Very high101 Ų10148.6 Ų48.647%0.47225%0.246SC..Hα-helixtrans-53.7-36.8-179.7-77.4-62.9146.800114R264 S277R264-E273 IonicContact CZ-OE1 3.4Å; R264-E273 IonicContact CZ-OE2 3.51Å; R264-E273 IonicContact NE-OE1 3.95Å; R264-E273 IonicContact NH1-OE2 2.74Å; R264-E273 PolarHBondContact NH1-OE2 3.12Å; R264-E273 VanDerWaalsContact NH1-OE2 3.15Å; R264-E273 IonicContact NH2-OE1 2.7Å; R264-E273 PolarHBondContact NH2-OE1 3.03Å; R264-E273 IonicContact NH2-OE2 3.99Å; R264-E273 PolarHBondContact NH2-OE2 3.27Å; E273-S277 VanDerWaalsContact O-CB 3.25Å; E273-S277 WeakPolarHBondContact O-CB 3.26Å; E273-S277 PolarHBondContact O-N 2.82Å
274N89Confident90.5Very high72 Ų7249.8 Ų49.839%0.38525%0.254SS..Hα-helixtrans-72.9-33.7178.4-66.2-56.9000111.2D272 L278 H299 Y301D272-N274 PolarHBondContact O-N 3.27Å; D272-N274 VanDerWaalsContact O-N 3.16Å; D272-N274 WeakPolarHBondContact OD1-CA 3.2Å; D272-N274 WeakPolarHBondContact OD1-CB 3.46Å; D272-N274 PolarHBondContact OD1-N 2.98Å; N274-L278 WeakPolarHBondContact O-CB 3.36Å; N274-L278 PolarHBondContact O-N 2.87Å; N274-H299 PolarHBondContact O-CE1 3.45Å; N274-Y301 HydrophobicContact CB-CD2 3.99Å
275G90.9Very high90.6Very high0 Ų045.4 Ų45.40%024%0.237CC..Hα-helixtrans-67.8-45.7176.100000111.3D272 L278 L279D272-G275 WeakPolarHBondContact O-CA 3.4Å; D272-G275 PolarHBondContact O-N 3.24Å; D272-G275 PolarHBondContact OD1-N 3.45Å; G275-L278 PolarHBondContact O-N 3.4Å; G275-L279 WeakPolarHBondContact O-CB 3.43Å; G275-L279 PolarHBondContact O-N 2.79Å
276I94Very high90.8Very high2 Ų240.5 Ų40.51%0.0122%0.215CC..Hα-helixtrans-59.8-47.6173.2-63.3172.5000110.1R264 L267 L271 D272 L278 L279 Q280R264-I276 HydrophobicContact CB-CG2 4.16Å; R264-I276 HydrophobicContact CG-CD1 4.46Å; R264-I276 HydrophobicContact CG-CG2 4.04Å; L267-I276 HydrophobicContact CB-CG1 4.22Å; L271-I276 HydrophobicContact CB-CG1 3.84Å; D272-I276 WeakPolarHBondContact O-CG1 3Å; D272-I276 PolarHBondContact O-N 3.48Å; I276-L278 PolarHBondContact O-N 3.36Å; I276-L279 PolarHBondContact O-N 2.85Å; I276-Q280 HydrophobicContact CG2-CG 4.29Å; I276-Q280 WeakPolarHBondContact O-CB 3.49Å; I276-Q280 VanDerWaalsContact O-CG 3.32Å; I276-Q280 WeakPolarHBondContact O-CG 3.32Å; I276-Q280 PolarHBondContact O-N 3.1Å
277S94.1Very high91Very high45 Ų4536.7 Ų36.732%0.31520%0.197SC..Hα-helixtrans-60.9-42.1178.9176.40000112.7E273 S281E273-S277 VanDerWaalsContact O-CB 3.25Å; E273-S277 WeakPolarHBondContact O-CB 3.26Å; E273-S277 PolarHBondContact O-N 2.82Å; S277-S281 PolarHBondContact O-N 3.35Å; S277-S281 VanDerWaalsContact O-N 3.12Å; S277-S281 PolarHBondContact O-OG 2.69Å
278L94.9Very high91Very high0 Ų043.4 Ų43.40%022%0.223CC..Hα-helixtrans-61.5-48.5174.6177.757.6000110.4V117 F202 N274 G275 I276 Q280 S281 M282 I291 M296 H299 Y301 F302V117-L278 HydrophobicContact CG1-CD2 4.34Å; F202-L278 HydrophobicContact CE1-CB 4.44Å; F202-L278 HydrophobicContact CE1-CD2 4.12Å; F202-L278 HydrophobicContact CE1-CG 4.35Å; N274-L278 WeakPolarHBondContact O-CB 3.36Å; N274-L278 PolarHBondContact O-N 2.87Å; G275-L278 PolarHBondContact O-N 3.4Å; I276-L278 PolarHBondContact O-N 3.36Å; L278-Q280 PolarHBondContact O-N 3.47Å; L278-S281 WeakPolarHBondContact O-CA 3.5Å; L278-S281 VanDerWaalsContact O-CB 3.32Å; L278-S281 WeakPolarHBondContact O-CB 3.11Å; L278-S281 PolarHBondContact O-N 3.1Å; L278-M282 HydrophobicContact CD1-SD 4.26Å; L278-M282 HydrophobicContact CG-SD 4Å; L278-M282 WeakPolarHBondContact O-CG 3.31Å; L278-M282 PolarHBondContact O-N 2.8Å; L278-I291 HydrophobicContact CD1-CD1 4.22Å; L278-M296 HydrophobicContact CD1-CB 4.24Å; L278-M296 HydrophobicContact CD1-CG 4.19Å; L278-H299 HydrophobicContact CD1-CB 3.91Å; L278-H299 PolarHBondContact N-CE1 3.26Å; L278-Y301 HydrophobicContact CB-CG 4.48Å; L278-Y301 HydrophobicContact CD2-CD1 3.47Å; L278-Y301 VanDerWaalsContact CD2-CD1 3.47Å; L278-Y301 HydrophobicContact CD2-CE1 4.29Å; L278-Y301 HydrophobicContact CD2-CG 4.01Å; L278-F302 HydrophobicContact CD2-CE2 3.94Å; L278-F302 HydrophobicContact CD2-CZ 3.79Å
279L95.9Very high91.2Very high0 Ų044.4 Ų44.40%023%0.227CC..Hα-helixtrans-65.3-38.8-176.4-174.354.1000112G199 F202 A203 L267 L271 G275 I276 S281 M282 I283G199-L279 WeakPolarHBondContact O-CD1 3.31Å; F202-L279 HydrophobicContact CB-CD1 4.34Å; F202-L279 HydrophobicContact CD1-CB 4.07Å; F202-L279 HydrophobicContact CD1-CD1 3.93Å; F202-L279 HydrophobicContact CD1-CD2 4.48Å; F202-L279 HydrophobicContact CD1-CG 4.39Å; F202-L279 HydrophobicContact CE1-CB 4.02Å; F202-L279 HydrophobicContact CG-CD1 4.43Å; A203-L279 HydrophobicContact CB-CD2 3.77Å; L267-L279 HydrophobicContact CD1-CD2 3.35Å; L267-L279 HydrophobicContact CD1-CG 4.23Å; L267-L279 HydrophobicContact CD2-CD2 4.15Å; L267-L279 HydrophobicContact CG-CD2 4.39Å; L271-L279 HydrophobicContact CD1-CD2 3.85Å; G275-L279 WeakPolarHBondContact O-CB 3.43Å; G275-L279 PolarHBondContact O-N 2.79Å; I276-L279 PolarHBondContact O-N 2.85Å; L279-S281 VanDerWaalsContact C-N 3.26Å; L279-S281 PolarHBondContact O-N 3.19Å; L279-M282 WeakPolarHBondContact O-CB 3.28Å; L279-M282 PolarHBondContact O-N 2.9Å; L279-I283 HydrophobicContact CD1-CG1 3.8Å; L279-I283 HydrophobicContact CG-CG1 4.41Å; L279-I283 WeakPolarHBondContact O-CB 3.26Å; L279-I283 PolarHBondContact O-N 2.88Å
280Q93.9Very high91.5Very high67 Ų6738.3 Ų38.331%0.31319%0.193SC..Hα-helixtrans-61.1-34.4171.4-74.9177.9-38.400112.6L263 I276 L278 M282 T284L263-Q280 HydrophobicContact CD2-CG 4.09Å; I276-Q280 HydrophobicContact CG2-CG 4.29Å; I276-Q280 WeakPolarHBondContact O-CB 3.49Å; I276-Q280 VanDerWaalsContact O-CG 3.32Å; I276-Q280 WeakPolarHBondContact O-CG 3.32Å; I276-Q280 PolarHBondContact O-N 3.1Å; L278-Q280 PolarHBondContact O-N 3.47Å; Q280-M282 PolarHBondContact O-N 3.42Å; Q280-T284 PolarHBondContact O-OG1 2.91Å
281S95.4Very high91.8Very high39 Ų3937.3 Ų37.327%0.27318%0.184SC..Hα-helixtrans-71.9-20175.8-55.40000112.8S277 L278 L279 R290 I291S277-S281 PolarHBondContact O-N 3.35Å; S277-S281 VanDerWaalsContact O-N 3.12Å; S277-S281 PolarHBondContact O-OG 2.69Å; L278-S281 WeakPolarHBondContact O-CA 3.5Å; L278-S281 VanDerWaalsContact O-CB 3.32Å; L278-S281 WeakPolarHBondContact O-CB 3.11Å; L278-S281 PolarHBondContact O-N 3.1Å; L279-S281 VanDerWaalsContact C-N 3.26Å; L279-S281 PolarHBondContact O-N 3.19Å; S281-R290 WeakPolarHBondContact O-CA 3.36Å; S281-I291 WeakPolarHBondContact O-CG2 3.27Å; S281-I291 PolarHBondContact O-N 2.66Å
282M97.2Very high92.1Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-93.2-41.6176.8-62167.372.100112I195 I198 G199 F202 L278 L279 Q280 T284 R290 I291 M296I195-M282 HydrophobicContact CG2-CB 3.95Å; I195-M282 HydrophobicContact CG2-CG 3.94Å; I195-M282 WeakPolarHBondContact O-CE 3.46Å; I198-M282 VanDerWaalsContact C-CE 3.48Å; I198-M282 HydrophobicContact CB-CE 3.7Å; I198-M282 HydrophobicContact CG2-CE 3.57Å; G199-M282 VanDerWaalsContact CA-CE 3.44Å; F202-M282 HydrophobicContact CD1-SD 4.35Å; L278-M282 HydrophobicContact CD1-SD 4.26Å; L278-M282 HydrophobicContact CG-SD 4Å; L278-M282 WeakPolarHBondContact O-CG 3.31Å; L278-M282 PolarHBondContact O-N 2.8Å; L279-M282 WeakPolarHBondContact O-CB 3.28Å; L279-M282 PolarHBondContact O-N 2.9Å; Q280-M282 PolarHBondContact O-N 3.42Å; M282-T284 PolarHBondContact O-N 2.78Å; M282-R290 WeakPolarHBondContact O-CD 3.34Å; M282-R290 WeakPolarHBondContact O-CG 3.48Å; M282-I291 HydrophobicContact CB-CG2 4.5Å; M282-I291 HydrophobicContact CG-CG2 3.63Å; M282-M296 HydrophobicContact CE-CE 3.43Å; M282-M296 VanDerWaalsContact CE-CE 3.43Å; M282-M296 HydrophobicContact CE-SD 4.11Å; M282-M296 HydrophobicContact SD-CE 3.76Å; M282-M296 HydrophobicContact SD-SD 4.47Å
283I94.6Very high92.3Very high4 Ų436 Ų362%0.02119%0.186CC..SBendtrans-95.774.2-177.5-59.2-63000108.7W196 L211 F212 M228 L263 L279W196-I283 HydrophobicContact CD2-CD1 3.87Å; W196-I283 HydrophobicContact CE3-CD1 4.01Å; W196-I283 HydrophobicContact CE3-CG2 4.42Å; W196-I283 HydrophobicContact CG-CD1 4.25Å; W196-I283 HydrophobicContact CH2-CG2 3.88Å; W196-I283 HydrophobicContact CZ2-CD1 4.49Å; W196-I283 HydrophobicContact CZ2-CG2 4.44Å; W196-I283 HydrophobicContact CZ3-CB 4.44Å; W196-I283 HydrophobicContact CZ3-CD1 4.43Å; W196-I283 HydrophobicContact CZ3-CG2 3.86Å; W196-I283 WeakPolarHBondContact O-CD1 3.19Å; L211-I283 HydrophobicContact CD2-CG1 4.42Å; F212-I283 HydrophobicContact CE2-CG2 4.42Å; F212-I283 HydrophobicContact CZ-CG2 3.99Å; M228-I283 HydrophobicContact CE-CG2 3.84Å; M228-I283 WeakPolarHBondContact CE-O 3.49Å; M228-I283 HydrophobicContact CG-CG2 4.32Å; M228-I283 HydrophobicContact SD-CG2 3.45Å; M228-I283 WeakPolarHBondContact SD-CG2 3.11Å; L263-I283 HydrophobicContact CD2-CB 4.12Å; L263-I283 HydrophobicContact CD2-CG2 4.02Å; L279-I283 HydrophobicContact CD1-CG1 3.8Å; L279-I283 HydrophobicContact CG-CG1 4.41Å; L279-I283 WeakPolarHBondContact O-CB 3.26Å; L279-I283 PolarHBondContact O-N 2.88Å
284T91.3Very high92Very high35 Ų3538.6 Ų38.622%0.21520%0.196CC..  trans-121.6143.8177.4-38.30000110.6Q280 M282 K289 R290Q280-T284 PolarHBondContact O-OG1 2.91Å; M282-T284 PolarHBondContact O-N 2.78Å; T284-K289 HydrophobicContact CG2-CB 4.32Å; T284-R290 PolarHBondContact O-NE 3.07Å; T284-R290 PolarHBondContact O-NH2 3.46Å; T284-R290 VanDerWaalsContact O-NH2 3.09Å
285Y89.7Confident91.9Very high8 Ų836.2 Ų36.23%0.03119%0.189CC..SBendtrans-60.5-49.7179.7-79-66.8000113.4P180 I224 F225 M228 G229 P231 D235 P287P180-Y285 HydrophobicContact CB-CD1 4.28Å; P180-Y285 HydrophobicContact CG-CD1 3.95Å; P180-Y285 HydrophobicContact CG-CE1 4.18Å; I224-Y285 HydrophobicContact CG2-CE1 3.9Å; F225-Y285 HydrophobicContact CD1-CE1 4.02Å; F225-Y285 VanDerWaalsContact CD1-OH 3.26Å; F225-Y285 WeakPolarHBondContact CD1-OH 3.16Å; F225-Y285 AromaticContact CE1-CE1 3.89Å; F225-Y285 HydrophobicContact CE1-CE1 3.89Å; M228-Y285 HydrophobicContact CB-CE2 3.84Å; M228-Y285 WeakPolarHBondContact CB-OH 3.11Å; M228-Y285 HydrophobicContact CE-CD2 3.93Å; M228-Y285 HydrophobicContact CE-CE2 3.91Å; M228-Y285 HydrophobicContact CE-CG 4.34Å; G229-Y285 WeakPolarHBondContact O-CE2 3.5Å; G229-Y285 PolarHBondContact O-OH 3.29Å; P231-Y285 HydrophobicContact CB-CD1 4.02Å; P231-Y285 HydrophobicContact CB-CD2 3.69Å; P231-Y285 HydrophobicContact CB-CE1 4.08Å; P231-Y285 HydrophobicContact CB-CE2 3.71Å; P231-Y285 HydrophobicContact CB-CG 3.83Å; P231-Y285 HydrophobicContact CG-CD1 4.17Å; P231-Y285 HydrophobicContact CG-CE1 3.91Å; P231-Y285 HydrophobicContact CG-CE2 4.26Å; P231-Y285 HydrophobicContact CG-CG 4.48Å; D235-Y285 HydrophobicContact CB-CD2 4.2Å; Y285-P287 VanDerWaalsContact O-CD 3.22Å; Y285-P287 WeakPolarHBondContact O-CD 3.45Å
286D88.7Confident92Very high5 Ų536.2 Ų36.23%0.02719%0.189CC..SBendtrans-78.4114.2177.9-167.7-23.2000110.4D235 W236 R288 K289D235-D286 WeakPolarHBondContact O-CB 3.3Å; W236-D286 HydrophobicContact CB-CB 4.23Å; W236-D286 HydrophobicContact CG-CB 4.15Å; D286-R288 PolarHBondContact O-N 3.38Å; D286-R288 WeakPolarHBondContact OD1-CB 3.4Å; D286-R288 IonicContact OD1-CZ 3.4Å; D286-R288 PolarHBondContact OD1-N 3.1Å; D286-R288 IonicContact OD1-NE 3.68Å; D286-R288 PolarHBondContact OD1-NE 3.44Å; D286-R288 IonicContact OD1-NH2 2.79Å; D286-R288 IonicContact OD2-CZ 3.47Å; D286-R288 IonicContact OD2-NE 2.97Å; D286-R288 PolarHBondContact OD2-NE 3.27Å; D286-R288 IonicContact OD2-NH2 3.36Å; D286-R288 PolarHBondContact OD2-NH2 3.1Å; D286-K289 HydrophobicContact CB-CB 4.29Å; D286-K289 HydrophobicContact CB-CD 4.06Å; D286-K289 HydrophobicContact CB-CG 4.01Å; D286-K289 PolarHBondContact O-N 2.97Å
287P89.5Confident91.4Very high5 Ų538.6 Ų38.63%0.03220%0.201CC..THydrogen-bonded Turntrans-62-22-177.8-22.235.5000112.8E181 A192 Y285 K289E181-P287 HydrophobicContact CB-CG 4.18Å; E181-P287 HydrophobicContact CG-CG 3.89Å; E181-P287 VanDerWaalsContact OE1-CG 3.23Å; E181-P287 WeakPolarHBondContact OE1-CG 3.28Å; A192-P287 HydrophobicContact CB-CB 3.79Å; A192-P287 WeakPolarHBondContact CB-O 3.27Å; Y285-P287 VanDerWaalsContact O-CD 3.22Å; Y285-P287 WeakPolarHBondContact O-CD 3.45Å; P287-K289 VanDerWaalsContact C-N 3.3Å
288R87.2Confident90.8Very high142 Ų14241 Ų4154%0.53622%0.218SC..THydrogen-bonded Turntrans-77-18178.5-60169.6-68.1167.74.6113.1D286D286-R288 PolarHBondContact O-N 3.38Å; D286-R288 WeakPolarHBondContact OD1-CB 3.4Å; D286-R288 IonicContact OD1-CZ 3.4Å; D286-R288 PolarHBondContact OD1-N 3.1Å; D286-R288 IonicContact OD1-NE 3.68Å; D286-R288 PolarHBondContact OD1-NE 3.44Å; D286-R288 IonicContact OD1-NH2 2.79Å; D286-R288 IonicContact OD2-CZ 3.47Å; D286-R288 IonicContact OD2-NE 2.97Å; D286-R288 PolarHBondContact OD2-NE 3.27Å; D286-R288 IonicContact OD2-NH2 3.36Å; D286-R288 PolarHBondContact OD2-NH2 3.1Å
289K91.2Very high90.5Very high120 Ų12042.6 Ų42.652%0.52223%0.225SC..THydrogen-bonded Turntrans-94.5-12177.4-65.5-176.8-176.7169.70112.4S234 D235 T284 D286 P287S234-K289 PolarHBondContact O-NZ 3.01Å; D235-K289 PolarHBondContact O-NZ 3.14Å; T284-K289 HydrophobicContact CG2-CB 4.32Å; D286-K289 HydrophobicContact CB-CB 4.29Å; D286-K289 HydrophobicContact CB-CD 4.06Å; D286-K289 HydrophobicContact CB-CG 4.01Å; D286-K289 PolarHBondContact O-N 2.97Å; P287-K289 VanDerWaalsContact C-N 3.3Å
290R93.5Very high89.8Confident16 Ų1647.5 Ų47.56%0.0625%0.248CC..SBendtrans-64141.3176.8-67.4-177.5-164.2143.28.9110.4E181 A192 I195 W196 S281 M282 T284E181-R290 IonicContact OE1-CZ 2.66Å; E181-R290 IonicContact OE1-NH1 3.88Å; E181-R290 PolarHBondContact OE1-NH1 3.33Å; E181-R290 IonicContact OE1-NH2 2.94Å; E181-R290 PolarHBondContact OE1-NH2 3.29Å; E181-R290 IonicContact OE2-CZ 3.88Å; E181-R290 IonicContact OE2-NH1 2.89Å; E181-R290 IonicContact OE2-NH2 3.54Å; E181-R290 PolarHBondContact OE2-NH2 3.5Å; A192-R290 HydrophobicContact CB-CB 4.36Å; A192-R290 PolarHBondContact O-NH1 3.19Å; I195-R290 HydrophobicContact CG2-CB 4.45Å; W196-R290 VanDerWaalsContact CE3-CZ 3.5Å; S281-R290 WeakPolarHBondContact O-CA 3.36Å; M282-R290 WeakPolarHBondContact O-CD 3.34Å; M282-R290 WeakPolarHBondContact O-CG 3.48Å; T284-R290 PolarHBondContact O-NE 3.07Å; T284-R290 PolarHBondContact O-NH2 3.46Å; T284-R290 VanDerWaalsContact O-NH2 3.09Å
291I94.4Very high89.3Confident30 Ų3044.5 Ų44.515%0.15423%0.234CC..PPolyproline II helixtrans-58.8136.3175.8-164.6167.6000110.5I195 L278 S281 M282 G295 M296I195-I291 WeakPolarHBondContact CG1-O 3.48Å; I195-I291 HydrophobicContact CG2-CG2 4.12Å; I195-I291 VanDerWaalsContact CG2-O 3.31Å; I195-I291 WeakPolarHBondContact CG2-O 3.45Å; L278-I291 HydrophobicContact CD1-CD1 4.22Å; S281-I291 WeakPolarHBondContact O-CG2 3.27Å; S281-I291 PolarHBondContact O-N 2.66Å; M282-I291 HydrophobicContact CB-CG2 4.5Å; M282-I291 HydrophobicContact CG-CG2 3.63Å; I291-G295 VanDerWaalsContact CD1-C 3.46Å; I291-M296 HydrophobicContact CD1-CG 4.28Å; I291-M296 HydrophobicContact CG1-CG 4.25Å; I291-M296 HydrophobicContact CG2-CG 3.61Å; I291-M296 HydrophobicContact CG2-SD 4.49Å
292A93Very high88.2Confident64 Ų6443.3 Ų43.353%0.52922%0.224SC..PPolyproline II helixtrans-74.6156.8171.500000110.4K294 G295 M296A292-K294 VanDerWaalsContact C-N 3.25Å; A292-K294 PolarHBondContact O-N 3.01Å; A292-G295 CarbonylContact O-C 3.53Å; A292-G295 VanDerWaalsContact O-CA 3.29Å; A292-G295 WeakPolarHBondContact O-CA 3.47Å; A292-G295 PolarHBondContact O-N 2.77Å; A292-M296 PolarHBondContact O-N 2.78Å
293A90.3Very high86.7Confident2 Ų250.1 Ų50.12%0.01725%0.253CS..Hα-helixtrans-54-4117800000113T124 I195 G295 M296 L297T124-A293 HydrophobicContact CG2-CB 3.87Å; I195-A293 HydrophobicContact CD1-CB 3.94Å; A293-G295 VanDerWaalsContact C-N 3.31Å; A293-G295 PolarHBondContact O-N 3.23Å; A293-M296 WeakPolarHBondContact O-CB 3.47Å; A293-M296 PolarHBondContact O-N 3.12Å; A293-L297 PolarHBondContact O-N 3.43Å
294K84.4Confident84.6Confident154 Ų15451.2 Ų51.267%0.6727%0.266SS*.Hα-helixtrans-61.9-37.4172.8-171.5174-177.6174.80112.8A292 M296 L297 S298A292-K294 VanDerWaalsContact C-N 3.25Å; A292-K294 PolarHBondContact O-N 3.01Å; K294-M296 VanDerWaalsContact C-N 3.35Å; K294-L297 PolarHBondContact O-N 3.42Å; K294-S298 PolarHBondContact O-N 2.89Å; K294-S298 PolarHBondContact O-OG 3.06Å
295G86.5Confident82.4Confident23 Ų2350.9 Ų50.924%0.23726%0.264CS..Hα-helixtrans-65.9-37.5174.900000112.2I291 A292 A293 L297 S298 H299I291-G295 VanDerWaalsContact CD1-C 3.46Å; A292-G295 CarbonylContact O-C 3.53Å; A292-G295 VanDerWaalsContact O-CA 3.29Å; A292-G295 WeakPolarHBondContact O-CA 3.47Å; A292-G295 PolarHBondContact O-N 2.77Å; A293-G295 VanDerWaalsContact C-N 3.31Å; A293-G295 PolarHBondContact O-N 3.23Å; G295-L297 VanDerWaalsContact C-N 3.35Å; G295-L297 PolarHBondContact O-N 2.88Å; G295-S298 WeakPolarHBondContact CA-OG 3.4Å; G295-S298 PolarHBondContact O-N 3.01Å; G295-S298 PolarHBondContact O-OG 3.29Å; G295-H299 PolarHBondContact O-N 2.97Å
296M92.1Very high80.2Confident0 Ų058.8 Ų58.80%030%0.295CS..Hα-helixtrans-58.2-48.4174.1-60.2168.560.300110.4V117 A121 I195 I198 L278 M282 I291 A292 A293 K294 S298 H299 F302V117-M296 HydrophobicContact CG1-CE 4.28Å; A121-M296 HydrophobicContact CB-CB 4Å; A121-M296 HydrophobicContact CB-CE 3.81Å; A121-M296 HydrophobicContact CB-SD 4.32Å; I195-M296 HydrophobicContact CD1-SD 3.84Å; I195-M296 HydrophobicContact CG2-SD 4.46Å; I198-M296 HydrophobicContact CG2-CE 4.17Å; L278-M296 HydrophobicContact CD1-CB 4.24Å; L278-M296 HydrophobicContact CD1-CG 4.19Å; M282-M296 HydrophobicContact CE-CE 3.43Å; M282-M296 VanDerWaalsContact CE-CE 3.43Å; M282-M296 HydrophobicContact CE-SD 4.11Å; M282-M296 HydrophobicContact SD-CE 3.76Å; M282-M296 HydrophobicContact SD-SD 4.47Å; I291-M296 HydrophobicContact CD1-CG 4.28Å; I291-M296 HydrophobicContact CG1-CG 4.25Å; I291-M296 HydrophobicContact CG2-CG 3.61Å; I291-M296 HydrophobicContact CG2-SD 4.49Å; A292-M296 PolarHBondContact O-N 2.78Å; A293-M296 WeakPolarHBondContact O-CB 3.47Å; A293-M296 PolarHBondContact O-N 3.12Å; K294-M296 VanDerWaalsContact C-N 3.35Å; M296-S298 PolarHBondContact O-N 2.96Å; M296-S298 VanDerWaalsContact O-N 3.15Å; M296-H299 WeakPolarHBondContact O-CB 3.24Å; M296-H299 PolarHBondContact O-N 3.4Å; M296-F302 HydrophobicContact CB-CE2 4.34Å; M296-F302 WeakPolarHBondContact O-CD2 3.39Å; M296-F302 WeakPolarHBondContact O-CE2 3.46Å
297L82.3Confident78.5Confident52 Ų5259.5 Ų59.527%0.27230%0.304SS..Hα-helixtrans-57.9-29.5-179.7-65.7172.1000113.4F118 A121 T122 A293 K294 G295F118-L297 HydrophobicContact CD2-CD2 3.89Å; F118-L297 HydrophobicContact CE1-CD2 4.46Å; F118-L297 HydrophobicContact CE2-CD2 3.62Å; F118-L297 HydrophobicContact CG-CD2 4.45Å; F118-L297 HydrophobicContact CZ-CD2 3.93Å; A121-L297 HydrophobicContact CB-CD2 3.67Å; A121-L297 HydrophobicContact CB-CG 4.07Å; T122-L297 WeakPolarHBondContact OG1-CD2 3.22Å; A293-L297 PolarHBondContact O-N 3.43Å; K294-L297 PolarHBondContact O-N 3.42Å; G295-L297 VanDerWaalsContact C-N 3.35Å; G295-L297 PolarHBondContact O-N 2.88Å
298S81.1Confident76.7Confident96 Ų9662.2 Ų62.267%0.67132%0.32SS*.THydrogen-bonded Turntrans-88.8-1.5175.654.10000114.8K294 G295 M296K294-S298 PolarHBondContact O-N 2.89Å; K294-S298 PolarHBondContact O-OG 3.06Å; G295-S298 WeakPolarHBondContact CA-OG 3.4Å; G295-S298 PolarHBondContact O-N 3.01Å; G295-S298 PolarHBondContact O-OG 3.29Å; M296-S298 PolarHBondContact O-N 2.96Å; M296-S298 VanDerWaalsContact O-N 3.15Å
299H87.9Confident75.8Confident32 Ų3259.6 Ų59.615%0.14832%0.32CS..SBendtrans-70.1147.5-175.2-165.1-94.3000112.2N274 L278 G295 M296 Y301 F302N274-H299 PolarHBondContact O-CE1 3.45Å; L278-H299 HydrophobicContact CD1-CB 3.91Å; L278-H299 PolarHBondContact N-CE1 3.26Å; G295-H299 PolarHBondContact O-N 2.97Å; M296-H299 WeakPolarHBondContact O-CB 3.24Å; M296-H299 PolarHBondContact O-N 3.4Å; H299-Y301 WeakPolarHBondContact ND1-CB 3.06Å; H299-Y301 PolarHBondContact ND1-N 3.46Å; H299-Y301 VanDerWaalsContact ND1-N 3.18Å; H299-Y301 PolarHBondContact O-N 2.89Å; H299-F302 PolarHBondContact O-N 3.23Å
300Q82.3Confident75Confident103 Ų10359.3 Ų59.348%0.48132%0.316SS..G310 helixtrans-56.8-25.5-180-65.4-73.2-20.100112.9F302 K303Q300-F302 PolarHBondContact O-N 3.15Å; Q300-K303 WeakPolarHBondContact O-CB 3.29Å; Q300-K303 PolarHBondContact O-N 3.48Å; Q300-K303 VanDerWaalsContact OE1-NZ 3.1Å
301Y83.1Confident74.4Confident4 Ų464.4 Ų64.42%0.01634%0.339CS..G310 helixtrans-56.6-36.6176-174.5-118.2000113.2K114 F202 N274 L278 H299 K303K114-Y301 HydrophobicContact CB-CE1 3.94Å; K114-Y301 HydrophobicContact CD-CE1 4.34Å; K114-Y301 VanDerWaalsContact CD-O 3.31Å; K114-Y301 WeakPolarHBondContact CD-O 3.31Å; K114-Y301 VanDerWaalsContact CE-CZ 3.41Å; K114-Y301 WeakPolarHBondContact CE-O 3.26Å; K114-Y301 HydrophobicContact CG-CD1 4.17Å; K114-Y301 HydrophobicContact CG-CE1 3.72Å; K114-Y301 PolarHBondContact NZ-O 2.79Å; F202-Y301 HydrophobicContact CE1-CE1 4.27Å; F202-Y301 HydrophobicContact CE2-CE1 4.2Å; F202-Y301 HydrophobicContact CZ-CD1 4.39Å; F202-Y301 AromaticContact CZ-CE1 3.62Å; F202-Y301 HydrophobicContact CZ-CE1 3.62Å; F202-Y301 HydrophobicContact CZ-CE2 4.31Å; F202-Y301 AromaticContact CZ-CZ 3.56Å; N274-Y301 HydrophobicContact CB-CD2 3.99Å; L278-Y301 HydrophobicContact CB-CG 4.48Å; L278-Y301 HydrophobicContact CD2-CD1 3.47Å; L278-Y301 VanDerWaalsContact CD2-CD1 3.47Å; L278-Y301 HydrophobicContact CD2-CE1 4.29Å; L278-Y301 HydrophobicContact CD2-CG 4.01Å; H299-Y301 WeakPolarHBondContact ND1-CB 3.06Å; H299-Y301 PolarHBondContact ND1-N 3.46Å; H299-Y301 VanDerWaalsContact ND1-N 3.18Å; H299-Y301 PolarHBondContact O-N 2.89Å; Y301-K303 VanDerWaalsContact C-N 3.34Å
302F71.5Confident73.9Confident14 Ų1465 Ų656%0.06134%0.344CS..G310 helixtrans-91.62178.9-58.4-53.7000113.9K114 V117 F118 L278 M296 H299 Q300 G304 T305K114-F302 HydrophobicContact CG-CD1 3.83Å; K114-F302 HydrophobicContact CG-CE1 4.11Å; K114-F302 WeakPolarHBondContact O-CE1 3.5Å; V117-F302 HydrophobicContact CB-CE1 4.24Å; V117-F302 HydrophobicContact CB-CZ 4.16Å; V117-F302 HydrophobicContact CG1-CE1 4.36Å; V117-F302 HydrophobicContact CG1-CZ 3.82Å; F118-F302 HydrophobicContact CB-CD1 3.86Å; F118-F302 HydrophobicContact CB-CE1 3.64Å; F118-F302 HydrophobicContact CB-CZ 4.12Å; F118-F302 HydrophobicContact CD2-CB 3.92Å; F118-F302 AromaticContact CD2-CD1 3.74Å; F118-F302 HydrophobicContact CD2-CD1 3.74Å; F118-F302 AromaticContact CD2-CD2 3.82Å; F118-F302 HydrophobicContact CD2-CD2 3.82Å; F118-F302 HydrophobicContact CD2-CE1 4.16Å; F118-F302 HydrophobicContact CD2-CE2 4.23Å; F118-F302 AromaticContact CD2-CG 3.56Å; F118-F302 HydrophobicContact CD2-CG 3.56Å; F118-F302 HydrophobicContact CD2-CZ 4.38Å; F118-F302 HydrophobicContact CE2-CB 4.26Å; F118-F302 HydrophobicContact CE2-CD2 4.46Å; F118-F302 HydrophobicContact CE2-CG 4.31Å; F118-F302 HydrophobicContact CG-CD1 4.28Å; F118-F302 HydrophobicContact CG-CE1 4.43Å; L278-F302 HydrophobicContact CD2-CE2 3.94Å; L278-F302 HydrophobicContact CD2-CZ 3.79Å; M296-F302 HydrophobicContact CB-CE2 4.34Å; M296-F302 WeakPolarHBondContact O-CD2 3.39Å; M296-F302 WeakPolarHBondContact O-CE2 3.46Å; H299-F302 PolarHBondContact O-N 3.23Å; Q300-F302 PolarHBondContact O-N 3.15Å; F302-G304 PolarHBondContact O-N 3.04Å; F302-T305 VanDerWaalsContact CA-OG1 3.24Å; F302-T305 WeakPolarHBondContact CA-OG1 3.13Å; F302-T305 PolarHBondContact O-N 3.02Å; F302-T305 VanDerWaalsContact O-N 3.11Å; F302-T305 PolarHBondContact O-OG1 2.78Å
303K66.9Low73.5Confident143 Ų14369.6 Ų69.662%0.62235%0.348SS*.THydrogen-bonded Turntrans-66.6112175.1-151.6172.9-178-171.20107.7Q300 Y301Q300-K303 WeakPolarHBondContact O-CB 3.29Å; Q300-K303 PolarHBondContact O-N 3.48Å; Q300-K303 VanDerWaalsContact OE1-NZ 3.1Å; Y301-K303 VanDerWaalsContact C-N 3.34Å
304G49.6Very low73.3Confident28 Ų2870.9 Ų70.929%0.28936%0.357SS..THydrogen-bonded Turntrans86.922.1-175.600000115.6F302 Y306 G307 V308F302-G304 PolarHBondContact O-N 3.04Å; G304-Y306 PolarHBondContact O-N 3.27Å; G304-Y306 VanDerWaalsContact O-N 3.12Å; G304-G307 CarbonylContact O-C 3.48Å; G304-G307 VanDerWaalsContact O-C 3.23Å; G304-G307 VanDerWaalsContact O-CA 3.28Å; G304-G307 WeakPolarHBondContact O-CA 3.48Å; G304-G307 PolarHBondContact O-N 3.03Å; G304-V308 PolarHBondContact O-N 2.81Å
305T44.9Very low73.4Confident28 Ų2873.8 Ų73.817%0.17237%0.369CS..THydrogen-bonded Turntrans-61-13.9167.2-45.90000112.4K114 F302K114-T305 HydrophobicContact CG-CG2 4.26Å; F302-T305 VanDerWaalsContact CA-OG1 3.24Å; F302-T305 WeakPolarHBondContact CA-OG1 3.13Å; F302-T305 PolarHBondContact O-N 3.02Å; F302-T305 VanDerWaalsContact O-N 3.11Å; F302-T305 PolarHBondContact O-OG1 2.78Å
306Y45Very low73.6Confident173 Ų17379 Ų7968%0.67840%0.396SS*.THydrogen-bonded Turntrans-98.621.5166.5-65.7-78.4000113.8G304 K324G304-Y306 PolarHBondContact O-N 3.27Å; G304-Y306 VanDerWaalsContact O-N 3.12Å; Y306-K324 WeakPolarHBondContact O-CE 3.44Å
307G51.2Low73.5Confident21 Ų2183.3 Ų83.322%0.21642%0.423CS..  trans99.5125.2-173.100000111.3G304 V309G304-G307 CarbonylContact O-C 3.48Å; G304-G307 VanDerWaalsContact O-C 3.23Å; G304-G307 VanDerWaalsContact O-CA 3.28Å; G304-G307 WeakPolarHBondContact O-CA 3.48Å; G304-G307 PolarHBondContact O-N 3.03Å; G307-V309 PolarHBondContact O-N 2.92Å
308V53Low73.7Confident61 Ų6182 Ų8237%0.3742%0.422SS..  trans-71122.4166.6179.80000107.1G304 Y310G304-V308 PolarHBondContact O-N 2.81Å; V308-Y310 HydrophobicContact CB-CD2 4.44Å; V308-Y310 HydrophobicContact CB-CE2 3.72Å; V308-Y310 HydrophobicContact CG1-CD1 4.16Å; V308-Y310 HydrophobicContact CG1-CD2 4.11Å; V308-Y310 HydrophobicContact CG1-CE1 3.7Å; V308-Y310 HydrophobicContact CG1-CE2 3.65Å; V308-Y310 HydrophobicContact CG1-CG 4.35Å; V308-Y310 VanDerWaalsContact CG1-CZ 3.42Å; V308-Y310 WeakPolarHBondContact O-CD2 3.1Å; V308-Y310 WeakPolarHBondContact O-CE2 3.44Å
309V67.9Low74.1Confident87 Ų8783 Ų8353%0.52741%0.411SS..EExtended strand (participates in β ladder)trans-92.4113.7173.1-177.70000108.1G307 A322 L323 K324G307-V309 PolarHBondContact O-N 2.92Å; V309-A322 HydrophobicContact CG1-CB 3.74Å; V309-L323 CarbonylContact C-O 3.52Å; V309-L323 VanDerWaalsContact CA-O 3.31Å; V309-L323 WeakPolarHBondContact CA-O 3.29Å; V309-K324 HydrophobicContact CG2-CB 4.21Å; V309-K324 HydrophobicContact CG2-CG 4.29Å
310Y75.1Confident74.1Confident115 Ų11586.7 Ų86.745%0.45142%0.424SS..EExtended strand (participates in β ladder)trans-93.1134.4179.1-60.2-90.1000110V308 T312 A322 L323 K325V308-Y310 HydrophobicContact CB-CD2 4.44Å; V308-Y310 HydrophobicContact CB-CE2 3.72Å; V308-Y310 HydrophobicContact CG1-CD1 4.16Å; V308-Y310 HydrophobicContact CG1-CD2 4.11Å; V308-Y310 HydrophobicContact CG1-CE1 3.7Å; V308-Y310 HydrophobicContact CG1-CE2 3.65Å; V308-Y310 HydrophobicContact CG1-CG 4.35Å; V308-Y310 VanDerWaalsContact CG1-CZ 3.42Å; V308-Y310 WeakPolarHBondContact O-CD2 3.1Å; V308-Y310 WeakPolarHBondContact O-CE2 3.44Å; Y310-T312 PolarHBondContact O-N 3.12Å; Y310-A322 CarbonylContact O-C 3.43Å; Y310-A322 WeakPolarHBondContact O-CA 3.34Å; Y310-L323 HydrophobicContact CD2-CD2 3.75Å; Y310-L323 PolarHBondContact N-O 3.11Å; Y310-L323 PolarHBondContact O-N 2.61Å; Y310-K325 HydrophobicContact CE2-CB 4.48Å
311K80Confident74.6Confident122 Ų12283 Ų8353%0.5341%0.406SS..EExtended strand (participates in β ladder)trans-73.3121.4162.7-177.9179.1-174.9178.60108.1Y320 F374K311-Y320 HydrophobicContact CD-CD1 4.3Å; K311-Y320 HydrophobicContact CG-CD1 4.08Å; K311-F374 HydrophobicContact CB-CD2 4.31Å; K311-F374 HydrophobicContact CB-CE2 3.89Å; K311-F374 HydrophobicContact CD-CD2 4.29Å; K311-F374 HydrophobicContact CD-CE1 4.19Å; K311-F374 HydrophobicContact CD-CE2 3.61Å; K311-F374 HydrophobicContact CD-CZ 3.56Å; K311-F374 HydrophobicContact CG-CD2 3.84Å; K311-F374 HydrophobicContact CG-CE2 3.55Å; K311-F374 HydrophobicContact CG-CZ 4.04Å
312T83.2Confident74.7Confident44 Ų4483.5 Ų83.527%0.2741%0.411SS..EExtended strand (participates in β ladder)trans-123.8162179.6650000110.5Y310 Y320 Y321 L323Y310-T312 PolarHBondContact O-N 3.12Å; T312-Y320 CarbonylContact O-C 3.46Å; T312-Y320 VanDerWaalsContact O-CA 3.26Å; T312-Y320 WeakPolarHBondContact O-CA 3.24Å; T312-Y320 WeakPolarHBondContact O-CD1 3.46Å; T312-Y321 PolarHBondContact N-O 3.41Å; T312-Y321 PolarHBondContact O-N 2.9Å; T312-L323 HydrophobicContact CG2-CB 3.69Å; T312-L323 HydrophobicContact CG2-CD1 4.08Å; T312-L323 HydrophobicContact CG2-CG 4.46Å
313R86.1Confident75.4Confident160 Ų16084.3 Ų84.360%0.60442%0.415SS*.EExtended strand (participates in β ladder)trans-127.6128.1178.3-169.1-178.6-178-164.4-4.5108.9K315 G318 R319 Y320R313-K315 PolarHBondContact O-N 3.46Å; R313-G318 VanDerWaalsContact CG-O 3.28Å; R313-G318 WeakPolarHBondContact CG-O 3.32Å; R313-G318 PolarHBondContact NE-O 3.42Å; R313-R319 CarbonylContact C-O 3.5Å; R313-R319 WeakPolarHBondContact CA-O 3.43Å; R313-Y320 HydrophobicContact CB-CD1 3.99Å; R313-Y320 HydrophobicContact CB-CE1 3.95Å; R313-Y320 HydrophobicContact CG-CD1 4.23Å; R313-Y320 HydrophobicContact CG-CE1 4.09Å
314S85Confident76.1Confident29 Ų2978.3 Ų78.320%0.20339%0.389CS..  trans-63.5130.2172.3169.80000109.9T316 T317 G318 R319S314-T316 VanDerWaalsContact C-N 3.32Å; S314-T316 PolarHBondContact OG-N 2.86Å; S314-T316 PolarHBondContact OG-OG1 3.49Å; S314-T316 VanDerWaalsContact OG-OG1 3.05Å; S314-T317 VanDerWaalsContact CB-OG1 3.24Å; S314-T317 WeakPolarHBondContact CB-OG1 3.25Å; S314-T317 PolarHBondContact OG-N 3.09Å; S314-T317 PolarHBondContact OG-OG1 2.92Å; S314-G318 WeakPolarHBondContact O-CA 3.41Å; S314-G318 PolarHBondContact O-N 3.41Å; S314-R319 PolarHBondContact N-O 3.42Å
315K87.9Confident77.5Confident214 Ų21479.7 Ų79.793%0.9339%0.388SS*.THydrogen-bonded Turntrans-69.1-30.7176.7-67.9-176.4-179.8178.50112.4R313R313-K315 PolarHBondContact O-N 3.46Å
316T89.9Confident78.8Confident132 Ų13279.6 Ų79.681%0.8139%0.385SS*.THydrogen-bonded Turntrans-83.7-44.1-176.950.70000112.2S314S314-T316 VanDerWaalsContact C-N 3.32Å; S314-T316 PolarHBondContact OG-N 2.86Å; S314-T316 PolarHBondContact OG-OG1 3.49Å; S314-T316 VanDerWaalsContact OG-OG1 3.05Å
317T90.8Very high79.6Confident92 Ų9274.8 Ų74.856%0.56437%0.368SS*.THydrogen-bonded Turntrans-102.7-12.5-17464.70000113.5S314 R319S314-T317 VanDerWaalsContact CB-OG1 3.24Å; S314-T317 WeakPolarHBondContact CB-OG1 3.25Å; S314-T317 PolarHBondContact OG-N 3.09Å; S314-T317 PolarHBondContact OG-OG1 2.92Å; T317-R319 PolarHBondContact O-N 3.25Å; T317-R319 VanDerWaalsContact O-N 3.08Å; T317-R319 WeakPolarHBondContact OG1-CB 3.24Å; T317-R319 PolarHBondContact OG1-N 3.1Å
318G84.9Confident80.3Confident23 Ų2375.1 Ų75.124%0.23737%0.365CS..  trans68.1-0.1-173.200000114.6R313 S314R313-G318 VanDerWaalsContact CG-O 3.28Å; R313-G318 WeakPolarHBondContact CG-O 3.32Å; R313-G318 PolarHBondContact NE-O 3.42Å; S314-G318 WeakPolarHBondContact O-CA 3.41Å; S314-G318 PolarHBondContact O-N 3.41Å
319R89.3Confident80.3Confident119 Ų11975.8 Ų75.845%0.44937%0.366SS..  trans-72.5141.3-178.4-176.2170.2175.3-158.7-11.7111.1R313 S314 T317 Y321 E359R313-R319 CarbonylContact C-O 3.5Å; R313-R319 WeakPolarHBondContact CA-O 3.43Å; S314-R319 PolarHBondContact N-O 3.42Å; T317-R319 PolarHBondContact O-N 3.25Å; T317-R319 VanDerWaalsContact O-N 3.08Å; T317-R319 WeakPolarHBondContact OG1-CB 3.24Å; T317-R319 PolarHBondContact OG1-N 3.1Å; R319-Y321 HydrophobicContact CB-CE2 3.9Å; R319-Y321 HydrophobicContact CG-CE2 3.99Å; R319-Y321 WeakPolarHBondContact O-CD2 3.15Å; R319-Y321 WeakPolarHBondContact O-CE2 3.03Å; R319-E359 IonicContact CZ-OE1 3.16Å; R319-E359 IonicContact NH1-OE1 2.84Å; R319-E359 PolarHBondContact NH1-OE1 2.97Å; R319-E359 IonicContact NH2-OE1 3.31Å; R319-E359 PolarHBondContact NH2-OE1 2.85Å
320Y88.8Confident79.6Confident108 Ų10877.8 Ų77.842%0.42437%0.369SS..EExtended strand (participates in β ladder)trans-83.2143.1175.6-70.9-77.6000112.1K311 T312 R313K311-Y320 HydrophobicContact CD-CD1 4.3Å; K311-Y320 HydrophobicContact CG-CD1 4.08Å; T312-Y320 CarbonylContact O-C 3.46Å; T312-Y320 VanDerWaalsContact O-CA 3.26Å; T312-Y320 WeakPolarHBondContact O-CA 3.24Å; T312-Y320 WeakPolarHBondContact O-CD1 3.46Å; R313-Y320 HydrophobicContact CB-CD1 3.99Å; R313-Y320 HydrophobicContact CB-CE1 3.95Å; R313-Y320 HydrophobicContact CG-CD1 4.23Å; R313-Y320 HydrophobicContact CG-CE1 4.09Å
321Y91.7Very high78.4Confident27 Ų2779.7 Ų79.711%0.10638%0.382CS..EExtended strand (participates in β ladder)trans-133.6163.6176.9-65.2-89.1000110.5T312 R319 E359 I371 F372T312-Y321 PolarHBondContact N-O 3.41Å; T312-Y321 PolarHBondContact O-N 2.9Å; R319-Y321 HydrophobicContact CB-CE2 3.9Å; R319-Y321 HydrophobicContact CG-CE2 3.99Å; R319-Y321 WeakPolarHBondContact O-CD2 3.15Å; R319-Y321 WeakPolarHBondContact O-CE2 3.03Å; Y321-E359 HydrophobicContact CD1-CB 4.43Å; Y321-E359 HydrophobicContact CD1-CG 4.26Å; Y321-E359 HydrophobicContact CE1-CB 4.11Å; Y321-E359 HydrophobicContact CE1-CG 3.91Å; Y321-I371 HydrophobicContact CD1-CG2 3.69Å; Y321-I371 HydrophobicContact CG-CG2 3.84Å; Y321-F372 WeakPolarHBondContact CA-O 3.45Å; Y321-F372 WeakPolarHBondContact CB-O 3.4Å; Y321-F372 WeakPolarHBondContact CD1-O 3.37Å
322A86.5Confident77Confident13 Ų1383.3 Ų83.311%0.10740%0.401CS..EExtended strand (participates in β ladder)trans-110119.5170.100000109.1V309 Y310 F372 F374V309-A322 HydrophobicContact CG1-CB 3.74Å; Y310-A322 CarbonylContact O-C 3.43Å; Y310-A322 WeakPolarHBondContact O-CA 3.34Å; A322-F372 HydrophobicContact CB-CB 4.18Å; A322-F372 PolarHBondContact N-O 3.09Å; A322-F372 PolarHBondContact O-N 2.93Å; A322-F374 HydrophobicContact CB-CD2 4.4Å
323L85.9Confident75.6Confident31 Ų3185 Ų8516%0.16242%0.415CS..EExtended strand (participates in β ladder)trans-105.7113.9-176.7177.3155.8000109.6V309 Y310 T312 K325 Y369 L370 I371V309-L323 CarbonylContact C-O 3.52Å; V309-L323 VanDerWaalsContact CA-O 3.31Å; V309-L323 WeakPolarHBondContact CA-O 3.29Å; Y310-L323 HydrophobicContact CD2-CD2 3.75Å; Y310-L323 PolarHBondContact N-O 3.11Å; Y310-L323 PolarHBondContact O-N 2.61Å; T312-L323 HydrophobicContact CG2-CB 3.69Å; T312-L323 HydrophobicContact CG2-CD1 4.08Å; T312-L323 HydrophobicContact CG2-CG 4.46Å; L323-K325 HydrophobicContact CD2-CB 4.25Å; L323-Y369 HydrophobicContact CD1-CD1 4.15Å; L323-Y369 HydrophobicContact CD2-CD1 3.71Å; L323-Y369 HydrophobicContact CD2-CE1 4.3Å; L323-Y369 HydrophobicContact CG-CD1 4.13Å; L323-L370 WeakPolarHBondContact CA-O 3.43Å; L323-I371 HydrophobicContact CB-CD1 3.9Å; L323-I371 HydrophobicContact CD1-CD1 3.56Å; L323-I371 HydrophobicContact CG-CD1 3.63Å
324K81.2Confident74.6Confident17 Ų1779 Ų797%0.07440%0.404CS..EExtended strand (participates in β ladder)trans-96.7113.2171.7-173.9177.9178.7-178.10108Y306 V309 I326 E342 L370 F372 D438Y306-K324 WeakPolarHBondContact O-CE 3.44Å; V309-K324 HydrophobicContact CG2-CB 4.21Å; V309-K324 HydrophobicContact CG2-CG 4.29Å; K324-I326 HydrophobicContact CD-CD1 4.29Å; K324-I326 HydrophobicContact CG-CD1 4.13Å; K324-E342 IonicContact NZ-OE1 3.06Å; K324-E342 PolarHBondContact NZ-OE1 3.2Å; K324-E342 IonicContact NZ-OE2 2.93Å; K324-E342 PolarHBondContact NZ-OE2 3.23Å; K324-L370 HydrophobicContact CB-CB 4.28Å; K324-L370 PolarHBondContact N-O 2.82Å; K324-L370 PolarHBondContact O-N 3.13Å; K324-F372 HydrophobicContact CB-CD2 4.45Å; K324-F372 HydrophobicContact CB-CE2 3.99Å; K324-F372 HydrophobicContact CD-CE2 4.35Å; K324-D438 IonicContact NZ-OD1 2.71Å; K324-D438 PolarHBondContact NZ-OD1 2.8Å
325K78.9Confident73.7Confident58 Ų5880.3 Ų80.325%0.25241%0.407SS..EExtended strand (participates in β ladder)trans-85.1120.6175.9-176.5178.2-176.1175.40109.6Y310 L323 Y369Y310-K325 HydrophobicContact CE2-CB 4.48Å; L323-K325 HydrophobicContact CD2-CB 4.25Å; K325-Y369 HydrophobicContact CB-CD1 3.99Å; K325-Y369 HydrophobicContact CB-CE1 4.1Å; K325-Y369 HydrophobicContact CD-CE1 3.81Å; K325-Y369 HydrophobicContact CG-CD1 3.92Å; K325-Y369 HydrophobicContact CG-CE1 3.65Å
326I71.8Confident72.6Confident25 Ų2571.9 Ų71.913%0.12837%0.374CS..EExtended strand (participates in β ladder)trans-100.3118.3172.1-51.5-63.6000107.3K324 A339 L368 L370K324-I326 HydrophobicContact CD-CD1 4.29Å; K324-I326 HydrophobicContact CG-CD1 4.13Å; I326-A339 HydrophobicContact CG2-CB 4.11Å; I326-L368 WeakPolarHBondContact CA-O 3.24Å; I326-L368 HydrophobicContact CB-CB 4.06Å; I326-L368 HydrophobicContact CB-CD2 4.21Å; I326-L368 HydrophobicContact CB-CG 4.22Å; I326-L368 HydrophobicContact CG1-CD2 4.4Å; I326-L368 HydrophobicContact CG1-CG 4.43Å; I326-L368 HydrophobicContact CG2-CD2 4.31Å; I326-L368 PolarHBondContact N-O 2.76Å; I326-L368 PolarHBondContact O-N 3.19Å; I326-L370 HydrophobicContact CD1-CD1 4.38Å; I326-L370 HydrophobicContact CG1-CD1 4.19Å; I326-L370 HydrophobicContact CG1-CG 4.18Å
327K62.8Low71.4Confident73 Ų7369.3 Ų69.332%0.31736%0.362SS..EExtended strand (participates in β ladder)trans-75.1135.3169.1-80.2-172.6169.8-166.90108.6D109 S110 L111D109-K327 IonicContact OD1-NZ 2.72Å; D109-K327 IonicContact OD2-NZ 3.29Å; D109-K327 PolarHBondContact OD2-NZ 2.94Å; S110-K327 PolarHBondContact OG-NZ 3.36Å; L111-K327 HydrophobicContact CB-CD 3.77Å; L111-K327 HydrophobicContact CD2-CB 4.05Å; L111-K327 HydrophobicContact CD2-CD 3.83Å; L111-K327 HydrophobicContact CD2-CG 4.38Å; L111-K327 HydrophobicContact CG-CD 4.35Å
328L64.8Low70.1Confident28 Ų2868.6 Ų68.615%0.14736%0.357CS..PPolyproline II helixtrans-97.5125.7170.6-55-179.8000106.9H330 I335 P336 M363 L368L328-H330 PolarHBondContact O-N 3.34Å; L328-I335 HydrophobicContact CD2-CB 4.42Å; L328-I335 HydrophobicContact CD2-CG1 4.35Å; L328-I335 HydrophobicContact CD2-CG2 4.27Å; L328-P336 VanDerWaalsContact CD2-CD 3.45Å; L328-P336 HydrophobicContact CD2-CG 4.47Å; L328-M363 HydrophobicContact CD1-CE 3.94Å; L328-M363 HydrophobicContact CD1-SD 3.71Å; L328-L368 HydrophobicContact CD1-CB 4.36Å; L328-L368 HydrophobicContact CD2-CB 4.06Å; L328-L368 HydrophobicContact CD2-CD2 4.44Å; L328-L368 HydrophobicContact CG-CB 4.31Å
329D53.3Low69.3Low74 Ų7467.7 Ų67.740%0.39635%0.348SS..  trans-86106.2-177.6-70.6-24.4000109.2S333D329-S333 PolarHBondContact O-OG 3.18Å
330H53Low68.3Low129 Ų12965.9 Ų65.960%0.59735%0.347SS*.SBendtrans59.6144.6-179.8-55.2-86.3000116.2L328 E332 S333L328-H330 PolarHBondContact O-N 3.34Å; H330-E332 PolarHBondContact O-N 2.95Å; H330-E332 VanDerWaalsContact O-N 3.16Å; H330-S333 PolarHBondContact O-N 3.06Å
331E51.2Low67.4Low155 Ų15565.4 Ų65.472%0.72434%0.344SS*.THydrogen-bonded Turntrans-58.8-30.3-176.3-73.6-174.7167.400113.8N366E331-N366 WeakPolarHBondContact CG-ND2 3.46Å; E331-N366 PolarHBondContact OE1-ND2 3.16Å
332E50.3Low66.6Low198 Ų19864.8 Ų64.893%0.92534%0.342SS*.THydrogen-bonded Turntrans-77.7-26.8-175.5-66.1-172.2163.400114.3H330H330-E332 PolarHBondContact O-N 2.95Å; H330-E332 VanDerWaalsContact O-N 3.16Å
333S54.3Low66.4Low80 Ų8064.8 Ų64.856%0.55934%0.34SS*.THydrogen-bonded Turntrans-86.5-11.1-173.8880000113.8D329 H330D329-S333 PolarHBondContact O-OG 3.18Å; H330-S333 PolarHBondContact O-N 3.06Å
334G63.8Low66.2Low35 Ų3566.8 Ų66.836%0.36136%0.356SS..  trans64.5-153.117700000113.6
335I66.7Low66.2Low55 Ų5566.3 Ų66.328%0.28235%0.354SS..SBendtrans-78.8126.4-179.9-53.9174.4000109.8L328 S337 A339 L340 M363 L368L328-I335 HydrophobicContact CD2-CB 4.42Å; L328-I335 HydrophobicContact CD2-CG1 4.35Å; L328-I335 HydrophobicContact CD2-CG2 4.27Å; I335-S337 PolarHBondContact O-N 3.29Å; I335-A339 HydrophobicContact CG2-CB 4.04Å; I335-L340 HydrophobicContact CB-CD1 4.24Å; I335-L340 HydrophobicContact CB-CD2 4.42Å; I335-L340 HydrophobicContact CB-CG 4.03Å; I335-L340 HydrophobicContact CD1-CD2 4.19Å; I335-L340 HydrophobicContact CG2-CD1 4.46Å; I335-L340 HydrophobicContact CG2-CD2 4.18Å; I335-L340 HydrophobicContact CG2-CG 3.74Å; I335-M363 HydrophobicContact CD1-CE 3.36Å; I335-M363 HydrophobicContact CG1-CE 3.71Å; I335-L368 HydrophobicContact CG2-CD2 3.75Å
336P64.5Low66.6Low37 Ų3763.6 Ų63.624%0.2434%0.342CS..  trans-52.1131.7175.8-27.533.6000111.6L328 T338 A339 L340L328-P336 VanDerWaalsContact CD2-CD 3.45Å; L328-P336 HydrophobicContact CD2-CG 4.47Å; P336-T338 PolarHBondContact O-N 3Å; P336-A339 HydrophobicContact CB-CB 4.36Å; P336-A339 WeakPolarHBondContact O-CB 3.47Å; P336-A339 PolarHBondContact O-N 3.38Å; P336-L340 PolarHBondContact O-N 3.35Å; P336-L340 VanDerWaalsContact O-N 3.1Å
337S65.5Low67.2Low79 Ų7968.1 Ų68.155%0.55236%0.363SS*.Hα-helixtrans-57.4-24.2-179.567.60000113.6I335 R341I335-S337 PolarHBondContact O-N 3.29Å; S337-R341 VanDerWaalsContact O-CB 3.27Å; S337-R341 WeakPolarHBondContact O-CB 3.47Å; S337-R341 PolarHBondContact O-N 3.27Å; S337-R341 VanDerWaalsContact O-N 3.1Å
338T62.3Low68.3Low76 Ų7669.4 Ų69.447%0.46637%0.37SS..Hα-helixtrans-68.2-44.517246.60000112.1P336 R341 E342P336-T338 PolarHBondContact O-N 3Å; T338-R341 PolarHBondContact O-N 2.87Å; T338-E342 WeakPolarHBondContact O-CB 3.43Å; T338-E342 PolarHBondContact O-N 3.36Å
339A67.8Low69.4Low4 Ų468 Ų683%0.03336%0.363CS..Hα-helixtrans-67.4-43.7178.100000111.5I326 I335 P336 R341 E342 I343 L368I326-A339 HydrophobicContact CG2-CB 4.11Å; I335-A339 HydrophobicContact CG2-CB 4.04Å; P336-A339 HydrophobicContact CB-CB 4.36Å; P336-A339 WeakPolarHBondContact O-CB 3.47Å; P336-A339 PolarHBondContact O-N 3.38Å; A339-R341 VanDerWaalsContact C-N 3.33Å; A339-R341 PolarHBondContact O-N 3.4Å; A339-E342 PolarHBondContact O-N 3.43Å; A339-I343 VanDerWaalsContact O-CG1 3.28Å; A339-I343 WeakPolarHBondContact O-CG1 3.41Å; A339-I343 PolarHBondContact O-N 3.25Å; A339-L368 HydrophobicContact CB-CD2 4.15Å
340L69.4Low70.9Confident81 Ų8165.5 Ų65.542%0.42435%0.352SS..Hα-helixtrans-58.8-44.9173.5-79.2173.2000111.7I335 P336 I343 C344I335-L340 HydrophobicContact CB-CD1 4.24Å; I335-L340 HydrophobicContact CB-CD2 4.42Å; I335-L340 HydrophobicContact CB-CG 4.03Å; I335-L340 HydrophobicContact CD1-CD2 4.19Å; I335-L340 HydrophobicContact CG2-CD1 4.46Å; I335-L340 HydrophobicContact CG2-CD2 4.18Å; I335-L340 HydrophobicContact CG2-CG 3.74Å; P336-L340 PolarHBondContact O-N 3.35Å; P336-L340 VanDerWaalsContact O-N 3.1Å; L340-I343 PolarHBondContact O-N 2.89Å; L340-C344 PolarHBondContact O-N 3.28Å; L340-C344 PolarHBondContact O-SG 3.03Å
341R69.6Low72.5Confident99 Ų9963.3 Ų63.337%0.37435%0.351SS..Hα-helixtrans-62.1-44.9177.3-174.2-178.5-56.8111.89.5112S337 T338 A339 I343 C344 I345S337-R341 VanDerWaalsContact O-CB 3.27Å; S337-R341 WeakPolarHBondContact O-CB 3.47Å; S337-R341 PolarHBondContact O-N 3.27Å; S337-R341 VanDerWaalsContact O-N 3.1Å; T338-R341 PolarHBondContact O-N 2.87Å; A339-R341 VanDerWaalsContact C-N 3.33Å; A339-R341 PolarHBondContact O-N 3.4Å; R341-I343 VanDerWaalsContact C-N 3.35Å; R341-C344 PolarHBondContact O-N 2.91Å; R341-I345 HydrophobicContact CG-CD1 3.88Å; R341-I345 HydrophobicContact CG-CG1 4.47Å; R341-I345 WeakPolarHBondContact O-CB 3.38Å; R341-I345 WeakPolarHBondContact O-CG1 3.48Å; R341-I345 PolarHBondContact O-N 2.86Å
342E75.4Confident74.4Confident13 Ų1356.3 Ų56.36%0.06132%0.318CS..Hα-helixtrans-58.5-47176.5-178175.6-177.900110.4K324 T338 A339 I345 L346K324-E342 IonicContact NZ-OE1 3.06Å; K324-E342 PolarHBondContact NZ-OE1 3.2Å; K324-E342 IonicContact NZ-OE2 2.93Å; K324-E342 PolarHBondContact NZ-OE2 3.23Å; T338-E342 WeakPolarHBondContact O-CB 3.43Å; T338-E342 PolarHBondContact O-N 3.36Å; A339-E342 PolarHBondContact O-N 3.43Å; E342-I345 PolarHBondContact O-N 2.75Å; E342-L346 HydrophobicContact CG-CD1 3.65Å; E342-L346 HydrophobicContact CG-CG 4.46Å; E342-L346 VanDerWaalsContact O-CB 3.3Å; E342-L346 WeakPolarHBondContact O-CB 3.5Å; E342-L346 WeakPolarHBondContact O-CD1 3.26Å; E342-L346 VanDerWaalsContact O-CG 3.23Å; E342-L346 WeakPolarHBondContact O-CG 3.32Å; E342-L346 PolarHBondContact O-N 3.21Å
343I81Confident76.5Confident13 Ų1347.5 Ų47.57%0.06728%0.278CS..Hα-helixtrans-58.1-51.9176.1-68161.6000111.5A339 L340 R341 I345 L346 Q347 L358 V361 L368 L370A339-I343 VanDerWaalsContact O-CG1 3.28Å; A339-I343 WeakPolarHBondContact O-CG1 3.41Å; A339-I343 PolarHBondContact O-N 3.25Å; L340-I343 PolarHBondContact O-N 2.89Å; R341-I343 VanDerWaalsContact C-N 3.35Å; I343-I345 PolarHBondContact O-N 2.94Å; I343-L346 PolarHBondContact O-N 2.95Å; I343-Q347 HydrophobicContact CG2-CG 4.34Å; I343-Q347 WeakPolarHBondContact O-CB 3.42Å; I343-Q347 WeakPolarHBondContact O-CG 3.42Å; I343-Q347 PolarHBondContact O-N 3.39Å; I343-L358 HydrophobicContact CG2-CD2 4.26Å; I343-V361 HydrophobicContact CD1-CG1 4.11Å; I343-V361 HydrophobicContact CG1-CG2 4.34Å; I343-V361 HydrophobicContact CG2-CG2 4Å; I343-L368 HydrophobicContact CD1-CD1 4.43Å; I343-L368 HydrophobicContact CD1-CD2 4.04Å; I343-L370 HydrophobicContact CD1-CD2 3.84Å; I343-L370 HydrophobicContact CG1-CD1 4.45Å; I343-L370 HydrophobicContact CG1-CD2 3.59Å
344C82.1Confident78.5Confident73 Ų7343.8 Ų43.849%0.49325%0.252SS..Hα-helixtrans-61.7-44.6-177.4-66.30000111.7L340 R341 Q347 E348L340-C344 PolarHBondContact O-N 3.28Å; L340-C344 PolarHBondContact O-SG 3.03Å; R341-C344 PolarHBondContact O-N 2.91Å; C344-Q347 PolarHBondContact O-N 3.13Å; C344-E348 PolarHBondContact O-N 3.31Å
345I82.2Confident80Confident7 Ų742.1 Ų42.14%0.03624%0.235CC..Hα-helixtrans-60.8-49176.8-73.1174.7000109.9R341 E342 I343 Q347 E348 V349 I416 F439 A442R341-I345 HydrophobicContact CG-CD1 3.88Å; R341-I345 HydrophobicContact CG-CG1 4.47Å; R341-I345 WeakPolarHBondContact O-CB 3.38Å; R341-I345 WeakPolarHBondContact O-CG1 3.48Å; R341-I345 PolarHBondContact O-N 2.86Å; E342-I345 PolarHBondContact O-N 2.75Å; I343-I345 PolarHBondContact O-N 2.94Å; I345-Q347 VanDerWaalsContact C-N 3.33Å; I345-Q347 PolarHBondContact O-N 3Å; I345-E348 WeakPolarHBondContact O-CB 3.44Å; I345-E348 PolarHBondContact O-N 3.16Å; I345-E348 VanDerWaalsContact O-N 3.12Å; I345-V349 WeakPolarHBondContact O-CG2 3.47Å; I345-V349 PolarHBondContact O-N 3.16Å; I345-I416 HydrophobicContact CG2-CD1 4.22Å; I345-I416 HydrophobicContact CG2-CG2 3.93Å; I345-F439 HydrophobicContact CG2-CB 4.18Å; I345-F439 HydrophobicContact CG2-CD1 3.63Å; I345-F439 HydrophobicContact CG2-CE1 4.38Å; I345-F439 HydrophobicContact CG2-CG 4.16Å; I345-A442 HydrophobicContact CD1-CB 3.77Å; I345-A442 HydrophobicContact CG2-CB 4.29Å
346L86.1Confident81.2Confident1 Ų139.7 Ų39.71%0.00522%0.222CC..Hα-helixtrans-61.6-40.3-179.1-76.6164.4000112.3E342 I343 E348 V349 A350 V356 L358 F372 F439E342-L346 HydrophobicContact CG-CD1 3.65Å; E342-L346 HydrophobicContact CG-CG 4.46Å; E342-L346 VanDerWaalsContact O-CB 3.3Å; E342-L346 WeakPolarHBondContact O-CB 3.5Å; E342-L346 WeakPolarHBondContact O-CD1 3.26Å; E342-L346 VanDerWaalsContact O-CG 3.23Å; E342-L346 WeakPolarHBondContact O-CG 3.32Å; E342-L346 PolarHBondContact O-N 3.21Å; I343-L346 PolarHBondContact O-N 2.95Å; L346-E348 VanDerWaalsContact C-N 3.33Å; L346-E348 PolarHBondContact O-N 2.97Å; L346-V349 PolarHBondContact O-N 2.91Å; L346-A350 WeakPolarHBondContact O-CA 3.33Å; L346-A350 VanDerWaalsContact O-CB 3.25Å; L346-A350 WeakPolarHBondContact O-CB 3.46Å; L346-A350 PolarHBondContact O-N 3.37Å; L346-V356 HydrophobicContact CD2-CG1 4.12Å; L346-L358 HydrophobicContact CB-CB 4.05Å; L346-L358 HydrophobicContact CB-CD2 3.91Å; L346-L358 HydrophobicContact CD1-CD2 4.31Å; L346-F372 HydrophobicContact CD1-CE1 3.62Å; L346-F372 HydrophobicContact CD1-CZ 3.71Å; L346-F372 HydrophobicContact CD2-CE1 4.18Å; L346-F372 HydrophobicContact CG-CE1 4.49Å; L346-F439 HydrophobicContact CD2-CB 4.33Å; L346-F439 HydrophobicContact CD2-CD2 3.64Å; L346-F439 HydrophobicContact CD2-CE2 4.26Å; L346-F439 HydrophobicContact CD2-CG 4.18Å; L346-F439 HydrophobicContact CG-CB 4.34Å
347Q85.5Confident82.5Confident121 Ų12141.9 Ų41.957%0.56523%0.228SC*.Hα-helixtrans-61.3-41.4173.9-75.4177-25.200111.8I343 C344 I345 V349 L358I343-Q347 HydrophobicContact CG2-CG 4.34Å; I343-Q347 WeakPolarHBondContact O-CB 3.42Å; I343-Q347 WeakPolarHBondContact O-CG 3.42Å; I343-Q347 PolarHBondContact O-N 3.39Å; C344-Q347 PolarHBondContact O-N 3.13Å; I345-Q347 VanDerWaalsContact C-N 3.33Å; I345-Q347 PolarHBondContact O-N 3Å; Q347-V349 VanDerWaalsContact C-N 3.29Å; Q347-V349 PolarHBondContact O-N 3.31Å; Q347-L358 HydrophobicContact CG-CD2 4.4Å
348E85.3Confident83.7Confident99 Ų9938.9 Ų38.946%0.46321%0.206SC..Hα-helixtrans-67.2-30.2179.3-165.1178.9165.400112.8C344 I345 L346C344-E348 PolarHBondContact O-N 3.31Å; I345-E348 WeakPolarHBondContact O-CB 3.44Å; I345-E348 PolarHBondContact O-N 3.16Å; I345-E348 VanDerWaalsContact O-N 3.12Å; L346-E348 VanDerWaalsContact C-N 3.33Å; L346-E348 PolarHBondContact O-N 2.97Å
349V88.6Confident85Confident0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-101.5-5.6-177.7-56.10000115.2I345 L346 Q347 C351 H352 V355 F410 I416 F439I345-V349 WeakPolarHBondContact O-CG2 3.47Å; I345-V349 PolarHBondContact O-N 3.16Å; L346-V349 PolarHBondContact O-N 2.91Å; Q347-V349 VanDerWaalsContact C-N 3.29Å; Q347-V349 PolarHBondContact O-N 3.31Å; V349-C351 PolarHBondContact O-N 3.41Å; V349-H352 PolarHBondContact O-N 2.83Å; V349-H352 VanDerWaalsContact O-N 3.12Å; V349-V355 HydrophobicContact CB-CG1 4.16Å; V349-V355 HydrophobicContact CG2-CB 4.43Å; V349-V355 HydrophobicContact CG2-CG1 3.5Å; V349-V355 VanDerWaalsContact CG2-CG1 3.5Å; V349-F410 HydrophobicContact CB-CE1 4.25Å; V349-F410 HydrophobicContact CG1-CE1 4.43Å; V349-I416 HydrophobicContact CG1-CD1 3.46Å; V349-I416 VanDerWaalsContact CG1-CD1 3.46Å; V349-F439 HydrophobicContact CG2-CZ 4.39Å
350A83.4Confident86Confident21 Ų2141.5 Ų41.517%0.17421%0.212CC..THydrogen-bonded Turntrans-60.5-19.3-171.600000115.1L346 H352 K357L346-A350 WeakPolarHBondContact O-CA 3.33Å; L346-A350 VanDerWaalsContact O-CB 3.25Å; L346-A350 WeakPolarHBondContact O-CB 3.46Å; L346-A350 PolarHBondContact O-N 3.37Å; A350-H352 VanDerWaalsContact C-N 3.31Å; A350-K357 HydrophobicContact CB-CG 4.4Å
351C86.8Confident86.9Confident83 Ų8340.5 Ų40.556%0.56121%0.209SC*.THydrogen-bonded Turntrans-80.4-9.1-18062.70000113.9V349 F410V349-C351 PolarHBondContact O-N 3.41Å; C351-F410 WeakPolarHBondContact SG-CZ 3.31Å
352H92.7Very high87.7Confident7 Ų739.1 Ų39.13%0.03221%0.208CC..SBendtrans-85.2133.2-178.3-163.6-92.4000112.4V349 A350 N354 V355 D406 G407 F410V349-H352 PolarHBondContact O-N 2.83Å; V349-H352 VanDerWaalsContact O-N 3.12Å; A350-H352 VanDerWaalsContact C-N 3.31Å; H352-N354 VanDerWaalsContact C-N 3.25Å; H352-N354 PolarHBondContact ND1-N 3.3Å; H352-N354 VanDerWaalsContact ND1-N 3.12Å; H352-N354 PolarHBondContact O-N 3.29Å; H352-V355 HydrophobicContact CB-CB 4.3Å; H352-V355 HydrophobicContact CB-CG2 3.99Å; H352-V355 PolarHBondContact O-N 2.99Å; H352-D406 IonicContact CE1-OD2 3.47Å; H352-D406 PolarHBondContact CE1-OD2 2.92Å; H352-D406 IonicContact NE2-OD2 2.73Å; H352-D406 PolarHBondContact NE2-OD2 3.05Å; H352-G407 PolarHBondContact CE1-N 2.91Å; H352-F410 HydrophobicContact CB-CD1 3.65Å; H352-F410 HydrophobicContact CB-CD2 4.25Å; H352-F410 HydrophobicContact CB-CE1 3.76Å; H352-F410 HydrophobicContact CB-CE2 4.3Å; H352-F410 HydrophobicContact CB-CG 3.89Å; H352-F410 HydrophobicContact CB-CZ 4.06Å; H352-F410 VanDerWaalsContact CD2-CB 3.48Å; H352-F410 WeakPolarHBondContact CD2-CB 3.36Å; H352-F410 AromaticContact CD2-CD1 4Å; H352-F410 AromaticContact CD2-CD2 3.23Å; H352-F410 WeakPolarHBondContact CD2-CD2 3.47Å; H352-F410 AromaticContact CD2-CE2 3.83Å; H352-F410 AromaticContact CD2-CG 3.3Å; H352-F410 WeakPolarHBondContact CD2-CG 3.48Å; H352-F410 AromaticContact CG-CD1 3.9Å; H352-F410 AromaticContact CG-CD2 3.98Å; H352-F410 AromaticContact CG-CG 3.65Å
353P94Very high87.9Confident14 Ų1442.6 Ų42.69%0.09123%0.226CC..THydrogen-bonded Turntrans-61.9-30.4-178.122.3-33.9000114K435 A592 R593P353-K435 WeakPolarHBondContact O-CE 3.37Å; P353-K435 PolarHBondContact O-NZ 2.92Å; P353-A592 HydrophobicContact CB-CB 4.24Å; P353-A592 HydrophobicContact CG-CB 4.37Å; P353-R593 HydrophobicContact CG-CB 4.19Å
354N95.6Very high87.8Confident1 Ų147.3 Ų47.31%0.00525%0.247CC..THydrogen-bonded Turntrans-98.121.1-179.2-58.3112.9000114H352 Q403 D406 I434 K435 L436 R593H352-N354 VanDerWaalsContact C-N 3.25Å; H352-N354 PolarHBondContact ND1-N 3.3Å; H352-N354 VanDerWaalsContact ND1-N 3.12Å; H352-N354 PolarHBondContact O-N 3.29Å; N354-Q403 WeakPolarHBondContact CB-O 3.43Å; N354-Q403 VanDerWaalsContact ND2-CB 3.34Å; N354-Q403 WeakPolarHBondContact ND2-CB 3.48Å; N354-Q403 WeakPolarHBondContact ND2-CG 3.33Å; N354-Q403 PolarHBondContact ND2-OE1 3.45Å; N354-D406 PolarHBondContact OD1-OD2 2.88Å; N354-I434 PolarHBondContact ND2-O 3.25Å; N354-K435 WeakPolarHBondContact O-CA 3.29Å; N354-L436 WeakPolarHBondContact O-CG 3.48Å; N354-L436 PolarHBondContact O-N 3.44Å; N354-R593 PolarHBondContact OD1-NH2 2.79Å
355V94.6Very high87.5Confident0 Ų052 Ų520%026%0.262CS..BIsolated β-bridgetrans-125.1140.6169.8-176.10000109V349 H352 K357 L436 F439V349-V355 HydrophobicContact CB-CG1 4.16Å; V349-V355 HydrophobicContact CG2-CB 4.43Å; V349-V355 HydrophobicContact CG2-CG1 3.5Å; V349-V355 VanDerWaalsContact CG2-CG1 3.5Å; H352-V355 HydrophobicContact CB-CB 4.3Å; H352-V355 HydrophobicContact CB-CG2 3.99Å; H352-V355 PolarHBondContact O-N 2.99Å; V355-K357 PolarHBondContact O-N 3.45Å; V355-L436 HydrophobicContact CG2-CB 4.44Å; V355-L436 HydrophobicContact CG2-CD1 4.37Å; V355-F439 HydrophobicContact CG1-CE2 3.64Å; V355-F439 HydrophobicContact CG1-CZ 3.68Å
356V93Very high87Confident4 Ų455.1 Ų55.12%0.02428%0.279CS..  trans-62.6129.1-179.771.50000110.4L346 L358 F372 E373 L375 L427 L436 A437L346-V356 HydrophobicContact CD2-CG1 4.12Å; V356-L358 PolarHBondContact O-N 3.32Å; V356-F372 HydrophobicContact CG1-CD1 4.09Å; V356-F372 HydrophobicContact CG1-CE1 4.23Å; V356-F372 HydrophobicContact CG2-CB 4.23Å; V356-F372 HydrophobicContact CG2-CD1 4Å; V356-F372 HydrophobicContact CG2-CG 4.47Å; V356-E373 HydrophobicContact CG2-CG 4.01Å; V356-L375 HydrophobicContact CG2-CD1 4.11Å; V356-L427 HydrophobicContact CG2-CD1 4.28Å; V356-L436 WeakPolarHBondContact CB-O 3.5Å; V356-L436 WeakPolarHBondContact CG1-O 3.22Å; V356-L436 PolarHBondContact N-O 3.05Å; V356-A437 HydrophobicContact CB-CB 4.24Å; V356-A437 HydrophobicContact CG1-CB 3.95Å
357K91.5Very high86.4Confident84 Ų8460.7 Ų60.737%0.36530%0.3SS..  trans-81.9119.4179.8-167.7-179.1-178.1-153.50110.5A350 V355 E359 F372 E373A350-K357 HydrophobicContact CB-CG 4.4Å; V355-K357 PolarHBondContact O-N 3.45Å; K357-E359 HydrophobicContact CD-CG 4.34Å; K357-E359 VanDerWaalsContact CE-OE2 3.27Å; K357-E359 WeakPolarHBondContact CE-OE2 3.34Å; K357-E359 HydrophobicContact CG-CG 4.39Å; K357-E359 IonicContact NZ-OE1 3.97Å; K357-E359 IonicContact NZ-OE2 2.83Å; K357-E359 PolarHBondContact NZ-OE2 2.99Å; K357-E359 PolarHBondContact O-N 3.16Å; K357-F372 VanDerWaalsContact O-CA 3.29Å; K357-F372 WeakPolarHBondContact O-CA 3.38Å; K357-E373 HydrophobicContact CB-CB 4.47Å; K357-E373 HydrophobicContact CB-CG 4.16Å; K357-E373 WeakPolarHBondContact CB-OE1 3.24Å; K357-E373 PolarHBondContact N-OE1 2.85Å; K357-E373 PolarHBondContact O-N 2.94Å
358L90.9Very high86.1Confident15 Ų1555 Ų558%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-76.2106.2161.2179.962.8000107.8I343 L346 Q347 V356 V361 L370 F372I343-L358 HydrophobicContact CG2-CD2 4.26Å; L346-L358 HydrophobicContact CB-CB 4.05Å; L346-L358 HydrophobicContact CB-CD2 3.91Å; L346-L358 HydrophobicContact CD1-CD2 4.31Å; Q347-L358 HydrophobicContact CG-CD2 4.4Å; V356-L358 PolarHBondContact O-N 3.32Å; L358-V361 HydrophobicContact CD1-CG2 4.28Å; L358-V361 HydrophobicContact CD2-CG2 3.81Å; L358-V361 HydrophobicContact CG-CG2 4.22Å; L358-L370 HydrophobicContact CD1-CB 3.88Å; L358-L370 HydrophobicContact CD1-CD2 4.41Å; L358-F372 HydrophobicContact CB-CD1 4.21Å; L358-F372 HydrophobicContact CB-CE1 3.99Å; L358-F372 HydrophobicContact CD1-CD1 4.19Å; L358-F372 HydrophobicContact CD1-CE1 3.85Å; L358-F372 HydrophobicContact CD1-CE2 4.32Å; L358-F372 HydrophobicContact CD1-CZ 3.92Å; L358-F372 HydrophobicContact CG-CE1 4.48Å
359E90.2Very high86Confident36 Ų3651.7 Ų51.717%0.16826%0.257CS..EExtended strand (participates in β ladder)trans-82.3-44.2-177.2-66.5-88.5-152.900110.9R319 Y321 K357 I371R319-E359 IonicContact CZ-OE1 3.16Å; R319-E359 IonicContact NH1-OE1 2.84Å; R319-E359 PolarHBondContact NH1-OE1 2.97Å; R319-E359 IonicContact NH2-OE1 3.31Å; R319-E359 PolarHBondContact NH2-OE1 2.85Å; Y321-E359 HydrophobicContact CD1-CB 4.43Å; Y321-E359 HydrophobicContact CD1-CG 4.26Å; Y321-E359 HydrophobicContact CE1-CB 4.11Å; Y321-E359 HydrophobicContact CE1-CG 3.91Å; K357-E359 HydrophobicContact CD-CG 4.34Å; K357-E359 VanDerWaalsContact CE-OE2 3.27Å; K357-E359 WeakPolarHBondContact CE-OE2 3.34Å; K357-E359 HydrophobicContact CG-CG 4.39Å; K357-E359 IonicContact NZ-OE1 3.97Å; K357-E359 IonicContact NZ-OE2 2.83Å; K357-E359 PolarHBondContact NZ-OE2 2.99Å; K357-E359 PolarHBondContact O-N 3.16Å; E359-I371 PolarHBondContact N-O 2.9Å
360H88.3Confident85.9Confident100 Ų10051.7 Ų51.746%0.46326%0.257SS..EExtended strand (participates in β ladder)trans-143.6150.5-179.6-51.1-70.2000112.3I362 I371H360-I362 HydrophobicContact CB-CG1 4.36Å; H360-I371 HydrophobicContact CB-CB 3.93Å; H360-I371 HydrophobicContact CB-CG1 4.02Å; H360-I371 PolarHBondContact N-O 2.97Å; H360-I371 VanDerWaalsContact N-O 3.13Å; H360-I371 PolarHBondContact O-N 2.74Å
361V88.1Confident86.2Confident60 Ų6051.3 Ų51.336%0.36425%0.251SS..EExtended strand (participates in β ladder)trans-116.3118.2165.2-178.70000106.4I343 L358 L368 Y369 L370I343-V361 HydrophobicContact CD1-CG1 4.11Å; I343-V361 HydrophobicContact CG1-CG2 4.34Å; I343-V361 HydrophobicContact CG2-CG2 4Å; L358-V361 HydrophobicContact CD1-CG2 4.28Å; L358-V361 HydrophobicContact CD2-CG2 3.81Å; L358-V361 HydrophobicContact CG-CG2 4.22Å; V361-L368 HydrophobicContact CG1-CD1 3.46Å; V361-L368 VanDerWaalsContact CG1-CD1 3.46Å; V361-Y369 WeakPolarHBondContact CA-O 3.29Å; V361-L370 HydrophobicContact CG1-CD2 4.05Å; V361-L370 HydrophobicContact CG2-CD2 4.03Å
362I86.4Confident86.3Confident70 Ų7048.1 Ų48.136%0.35923%0.228SC..EExtended strand (participates in β ladder)trans-113.8130.3-178.6-55.5174.4000107.7H360 E364 Y369 I371H360-I362 HydrophobicContact CB-CG1 4.36Å; I362-E364 HydrophobicContact CG2-CG 4.14Å; I362-Y369 HydrophobicContact CB-CD2 4.44Å; I362-Y369 HydrophobicContact CG2-CD2 4.4Å; I362-Y369 PolarHBondContact N-O 3.09Å; I362-Y369 PolarHBondContact O-N 2.94Å; I362-I371 HydrophobicContact CD1-CD1 4.12Å; I362-I371 HydrophobicContact CD1-CG1 3.74Å; I362-I371 HydrophobicContact CG1-CG1 4.13Å
363M79.4Confident86.2Confident86 Ų8649.2 Ų49.242%0.42423%0.233SC..EExtended strand (participates in β ladder)trans-112.5123.4171-170.868.182.900108.5L328 I335 R367 L368L328-M363 HydrophobicContact CD1-CE 3.94Å; L328-M363 HydrophobicContact CD1-SD 3.71Å; I335-M363 HydrophobicContact CD1-CE 3.36Å; I335-M363 HydrophobicContact CG1-CE 3.71Å; M363-R367 VanDerWaalsContact SD-O 3.39Å; M363-L368 HydrophobicContact CE-CB 4.04Å; M363-L368 HydrophobicContact CE-CD1 3.85Å; M363-L368 HydrophobicContact CE-CG 4.41Å; M363-L368 HydrophobicContact SD-CB 3.94Å; M363-L368 HydrophobicContact SD-CD1 4.35Å
364E78.7Confident86Confident111 Ų11151.9 Ų51.952%0.51924%0.244SC..EExtended strand (participates in β ladder)trans-126.7116.9170.7-67178165.100108.5I362 N366 R367 Y369I362-E364 HydrophobicContact CG2-CG 4.14Å; E364-N366 PolarHBondContact O-N 3.47Å; E364-N366 VanDerWaalsContact O-N 3.09Å; E364-R367 PolarHBondContact N-O 3.21Å; E364-R367 WeakPolarHBondContact O-CA 3.43Å; E364-R367 WeakPolarHBondContact O-CB 3.09Å; E364-R367 PolarHBondContact O-N 2.88Å; E364-Y369 HydrophobicContact CB-CE2 4.13Å; E364-Y369 HydrophobicContact CG-CE2 4.25Å; E364-Y369 WeakPolarHBondContact OE2-CE2 3.31Å
365E77Confident85.7Confident173 Ų17352.6 Ų52.681%0.80825%0.247SC*.THydrogen-bonded Turntrans49.1-117.3-176.9-58.4171.5175.700110.3
366N72Confident85Confident72 Ų7254.6 Ų54.639%0.38526%0.261SS..THydrogen-bonded Turntrans-10031.6178.9-65-33.3000112.9E331 E364E331-N366 WeakPolarHBondContact CG-ND2 3.46Å; E331-N366 PolarHBondContact OE1-ND2 3.16Å; E364-N366 PolarHBondContact O-N 3.47Å; E364-N366 VanDerWaalsContact O-N 3.09Å
367R73.2Confident84.5Confident118 Ų11857.6 Ų57.645%0.44528%0.276SS..EExtended strand (participates in β ladder)trans-131.9121.7-177.7-59.9173.8179.8173.87.8111M363 E364 Y369M363-R367 VanDerWaalsContact SD-O 3.39Å; E364-R367 PolarHBondContact N-O 3.21Å; E364-R367 WeakPolarHBondContact O-CA 3.43Å; E364-R367 WeakPolarHBondContact O-CB 3.09Å; E364-R367 PolarHBondContact O-N 2.88Å; R367-Y369 HydrophobicContact CB-CE2 3.79Å; R367-Y369 WeakPolarHBondContact CD-OH 3.5Å
368L77.8Confident84.4Confident2 Ų254.4 Ų54.41%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-100.2127.1175174.364.6000109.5I326 L328 I335 A339 I343 V361 M363 L370I326-L368 WeakPolarHBondContact CA-O 3.24Å; I326-L368 HydrophobicContact CB-CB 4.06Å; I326-L368 HydrophobicContact CB-CD2 4.21Å; I326-L368 HydrophobicContact CB-CG 4.22Å; I326-L368 HydrophobicContact CG1-CD2 4.4Å; I326-L368 HydrophobicContact CG1-CG 4.43Å; I326-L368 HydrophobicContact CG2-CD2 4.31Å; I326-L368 PolarHBondContact N-O 2.76Å; I326-L368 PolarHBondContact O-N 3.19Å; L328-L368 HydrophobicContact CD1-CB 4.36Å; L328-L368 HydrophobicContact CD2-CB 4.06Å; L328-L368 HydrophobicContact CD2-CD2 4.44Å; L328-L368 HydrophobicContact CG-CB 4.31Å; I335-L368 HydrophobicContact CG2-CD2 3.75Å; A339-L368 HydrophobicContact CB-CD2 4.15Å; I343-L368 HydrophobicContact CD1-CD1 4.43Å; I343-L368 HydrophobicContact CD1-CD2 4.04Å; V361-L368 HydrophobicContact CG1-CD1 3.46Å; V361-L368 VanDerWaalsContact CG1-CD1 3.46Å; M363-L368 HydrophobicContact CE-CB 4.04Å; M363-L368 HydrophobicContact CE-CD1 3.85Å; M363-L368 HydrophobicContact CE-CG 4.41Å; M363-L368 HydrophobicContact SD-CB 3.94Å; M363-L368 HydrophobicContact SD-CD1 4.35Å; L368-L370 HydrophobicContact CD1-CD2 4.41Å; L368-L370 HydrophobicContact CG-CD2 4.39Å
369Y83.5Confident84.6Confident29 Ų2953.7 Ų53.711%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-118127.6177.1-54.4-84000110.3L323 K325 V361 I362 E364 R367L323-Y369 HydrophobicContact CD1-CD1 4.15Å; L323-Y369 HydrophobicContact CD2-CD1 3.71Å; L323-Y369 HydrophobicContact CD2-CE1 4.3Å; L323-Y369 HydrophobicContact CG-CD1 4.13Å; K325-Y369 HydrophobicContact CB-CD1 3.99Å; K325-Y369 HydrophobicContact CB-CE1 4.1Å; K325-Y369 HydrophobicContact CD-CE1 3.81Å; K325-Y369 HydrophobicContact CG-CD1 3.92Å; K325-Y369 HydrophobicContact CG-CE1 3.65Å; V361-Y369 WeakPolarHBondContact CA-O 3.29Å; I362-Y369 HydrophobicContact CB-CD2 4.44Å; I362-Y369 HydrophobicContact CG2-CD2 4.4Å; I362-Y369 PolarHBondContact N-O 3.09Å; I362-Y369 PolarHBondContact O-N 2.94Å; E364-Y369 HydrophobicContact CB-CE2 4.13Å; E364-Y369 HydrophobicContact CG-CE2 4.25Å; E364-Y369 WeakPolarHBondContact OE2-CE2 3.31Å; R367-Y369 HydrophobicContact CB-CE2 3.79Å; R367-Y369 WeakPolarHBondContact CD-OH 3.5Å
370L85.9Confident84.6Confident0 Ų054.9 Ų54.90%026%0.262CS..EExtended strand (participates in β ladder)trans-101.7117.7172.2-52.4-176.7000108.4L323 K324 I326 I343 L358 V361 L368 F372L323-L370 WeakPolarHBondContact CA-O 3.43Å; K324-L370 HydrophobicContact CB-CB 4.28Å; K324-L370 PolarHBondContact N-O 2.82Å; K324-L370 PolarHBondContact O-N 3.13Å; I326-L370 HydrophobicContact CD1-CD1 4.38Å; I326-L370 HydrophobicContact CG1-CD1 4.19Å; I326-L370 HydrophobicContact CG1-CG 4.18Å; I343-L370 HydrophobicContact CD1-CD2 3.84Å; I343-L370 HydrophobicContact CG1-CD1 4.45Å; I343-L370 HydrophobicContact CG1-CD2 3.59Å; L358-L370 HydrophobicContact CD1-CB 3.88Å; L358-L370 HydrophobicContact CD1-CD2 4.41Å; V361-L370 HydrophobicContact CG1-CD2 4.05Å; V361-L370 HydrophobicContact CG2-CD2 4.03Å; L368-L370 HydrophobicContact CD1-CD2 4.41Å; L368-L370 HydrophobicContact CG-CD2 4.39Å; L370-F372 HydrophobicContact CB-CD2 4.24Å; L370-F372 HydrophobicContact CB-CE2 3.44Å; L370-F372 VanDerWaalsContact CB-CE2 3.44Å; L370-F372 HydrophobicContact CB-CZ 3.92Å; L370-F372 HydrophobicContact CD1-CE2 4.33Å; L370-F372 HydrophobicContact CD1-CZ 4.21Å
371I89.8Confident84.3Confident12 Ų1256.1 Ų56.16%0.06227%0.266CS..EExtended strand (participates in β ladder)trans-102.3112.9-178.3-48.2-56.8000108.5Y321 L323 E359 H360 I362Y321-I371 HydrophobicContact CD1-CG2 3.69Å; Y321-I371 HydrophobicContact CG-CG2 3.84Å; L323-I371 HydrophobicContact CB-CD1 3.9Å; L323-I371 HydrophobicContact CD1-CD1 3.56Å; L323-I371 HydrophobicContact CG-CD1 3.63Å; E359-I371 PolarHBondContact N-O 2.9Å; H360-I371 HydrophobicContact CB-CB 3.93Å; H360-I371 HydrophobicContact CB-CG1 4.02Å; H360-I371 PolarHBondContact N-O 2.97Å; H360-I371 VanDerWaalsContact N-O 3.13Å; H360-I371 PolarHBondContact O-N 2.74Å; I362-I371 HydrophobicContact CD1-CD1 4.12Å; I362-I371 HydrophobicContact CD1-CG1 3.74Å; I362-I371 HydrophobicContact CG1-CG1 4.13Å
372F90.8Very high84.4Confident17 Ų1755.4 Ų55.48%0.07526%0.257CS..EExtended strand (participates in β ladder)trans-104.5158.3179.4-63.8-86000111.2Y321 A322 K324 L346 V356 K357 L358 L370Y321-F372 WeakPolarHBondContact CA-O 3.45Å; Y321-F372 WeakPolarHBondContact CB-O 3.4Å; Y321-F372 WeakPolarHBondContact CD1-O 3.37Å; A322-F372 HydrophobicContact CB-CB 4.18Å; A322-F372 PolarHBondContact N-O 3.09Å; A322-F372 PolarHBondContact O-N 2.93Å; K324-F372 HydrophobicContact CB-CD2 4.45Å; K324-F372 HydrophobicContact CB-CE2 3.99Å; K324-F372 HydrophobicContact CD-CE2 4.35Å; L346-F372 HydrophobicContact CD1-CE1 3.62Å; L346-F372 HydrophobicContact CD1-CZ 3.71Å; L346-F372 HydrophobicContact CD2-CE1 4.18Å; L346-F372 HydrophobicContact CG-CE1 4.49Å; V356-F372 HydrophobicContact CG1-CD1 4.09Å; V356-F372 HydrophobicContact CG1-CE1 4.23Å; V356-F372 HydrophobicContact CG2-CB 4.23Å; V356-F372 HydrophobicContact CG2-CD1 4Å; V356-F372 HydrophobicContact CG2-CG 4.47Å; K357-F372 VanDerWaalsContact O-CA 3.29Å; K357-F372 WeakPolarHBondContact O-CA 3.38Å; L358-F372 HydrophobicContact CB-CD1 4.21Å; L358-F372 HydrophobicContact CB-CE1 3.99Å; L358-F372 HydrophobicContact CD1-CD1 4.19Å; L358-F372 HydrophobicContact CD1-CE1 3.85Å; L358-F372 HydrophobicContact CD1-CE2 4.32Å; L358-F372 HydrophobicContact CD1-CZ 3.92Å; L358-F372 HydrophobicContact CG-CE1 4.48Å; L370-F372 HydrophobicContact CB-CD2 4.24Å; L370-F372 HydrophobicContact CB-CE2 3.44Å; L370-F372 VanDerWaalsContact CB-CE2 3.44Å; L370-F372 HydrophobicContact CB-CZ 3.92Å; L370-F372 HydrophobicContact CD1-CE2 4.33Å; L370-F372 HydrophobicContact CD1-CZ 4.21Å
373E90.5Very high84.7Confident29 Ų2953 Ų5314%0.13624%0.244CC..EExtended strand (participates in β ladder)trans-55.1142.8160.868.7179.712400110.7V356 K357 L375 K435V356-E373 HydrophobicContact CG2-CG 4.01Å; K357-E373 HydrophobicContact CB-CB 4.47Å; K357-E373 HydrophobicContact CB-CG 4.16Å; K357-E373 WeakPolarHBondContact CB-OE1 3.24Å; K357-E373 PolarHBondContact N-OE1 2.85Å; K357-E373 PolarHBondContact O-N 2.94Å; E373-L375 HydrophobicContact CG-CD1 3.86Å; E373-K435 WeakPolarHBondContact OE1-CD 3.27Å; E373-K435 IonicContact OE1-NZ 3.21Å; E373-K435 PolarHBondContact OE1-NZ 3.44Å; E373-K435 WeakPolarHBondContact OE2-CE 3.25Å; E373-K435 IonicContact OE2-NZ 3.82Å; E373-K435 PolarHBondContact OE2-NZ 3.36Å
374F89Confident85Confident71 Ų7153.3 Ų53.331%0.31125%0.248SC..  trans-86.1128.2177.6-179.2-100.2000111.3K311 A322K311-F374 HydrophobicContact CB-CD2 4.31Å; K311-F374 HydrophobicContact CB-CE2 3.89Å; K311-F374 HydrophobicContact CD-CD2 4.29Å; K311-F374 HydrophobicContact CD-CE1 4.19Å; K311-F374 HydrophobicContact CD-CE2 3.61Å; K311-F374 HydrophobicContact CD-CZ 3.56Å; K311-F374 HydrophobicContact CG-CD2 3.84Å; K311-F374 HydrophobicContact CG-CE2 3.55Å; K311-F374 HydrophobicContact CG-CZ 4.04Å; A322-F374 HydrophobicContact CB-CD2 4.4Å
375L88.5Confident85.4Confident15 Ų1552 Ų528%0.07925%0.251CS..  trans-114.8147.6167.8-70.2104.7000109.7V356 E373 M377 L427 N429 K435V356-L375 HydrophobicContact CG2-CD1 4.11Å; E373-L375 HydrophobicContact CG-CD1 3.86Å; L375-M377 PolarHBondContact O-N 2.95Å; L375-L427 HydrophobicContact CB-CB 3.81Å; L375-L427 HydrophobicContact CB-CD1 4.46Å; L375-L427 HydrophobicContact CD1-CB 3.94Å; L375-L427 HydrophobicContact CD1-CD1 3.91Å; L375-L427 HydrophobicContact CD2-CB 3.85Å; L375-L427 HydrophobicContact CG-CB 4.07Å; L375-N429 HydrophobicContact CD2-CB 4.5Å; L375-K435 HydrophobicContact CD1-CD 4.3Å; L375-K435 HydrophobicContact CD2-CB 4.29Å; L375-K435 HydrophobicContact CD2-CD 4.08Å; L375-K435 HydrophobicContact CD2-CG 4Å
376S80.4Confident86Confident42 Ų4245.7 Ų45.729%0.29422%0.223SC..SBendtrans-71.2-34-16652.20000113.5I428 N429S376-I428 PolarHBondContact N-O 2.84Å; S376-I428 VanDerWaalsContact N-O 3.14Å; S376-I428 PolarHBondContact OG-O 3.01Å; S376-N429 WeakPolarHBondContact OG-CA 3.08Å
377M83.1Confident86.4Confident68 Ų6843.7 Ų43.734%0.33522%0.219SC..EExtended strand (participates in β ladder)trans-160.6171.4178.464.9-173.474.700112L375 K381 Y382 I428L375-M377 PolarHBondContact O-N 2.95Å; M377-K381 HydrophobicContact CB-CB 4.5Å; M377-Y382 HydrophobicContact SD-CD2 4Å; M377-Y382 HydrophobicContact SD-CG 4.39Å; M377-I428 HydrophobicContact CG-CD1 3.72Å; M377-I428 HydrophobicContact CG-CG1 3.46Å; M377-I428 VanDerWaalsContact CG-CG1 3.46Å; M377-I428 PolarHBondContact N-O 3.44Å; M377-I428 PolarHBondContact O-N 3.21Å; M377-I428 HydrophobicContact SD-CD1 4.06Å; M377-I428 HydrophobicContact SD-CG1 4.45Å
378D89.8Confident86.7Confident17 Ų1744.8 Ų44.89%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-93.6159168.459.582.2000111.6R380 K381 Y382 L426 L427D378-R380 PolarHBondContact O-N 2.84Å; D378-R380 VanDerWaalsContact OD1-CB 3.3Å; D378-R380 WeakPolarHBondContact OD1-CB 3.2Å; D378-R380 PolarHBondContact OD1-N 3.09Å; D378-K381 PolarHBondContact O-N 3.15Å; D378-K381 WeakPolarHBondContact OD1-CG 3.35Å; D378-K381 PolarHBondContact OD1-N 3.45Å; D378-K381 VanDerWaalsContact OD2-CD 3.28Å; D378-K381 WeakPolarHBondContact OD2-CD 3.44Å; D378-K381 VanDerWaalsContact OD2-CE 3.32Å; D378-K381 WeakPolarHBondContact OD2-CE 3.42Å; D378-K381 WeakPolarHBondContact OD2-CG 3.5Å; D378-K381 IonicContact OD2-NZ 3.56Å; D378-K381 PolarHBondContact OD2-NZ 3.14Å; D378-Y382 PolarHBondContact O-N 3.06Å; D378-L426 CarbonylContact C-O 3.51Å; D378-L426 VanDerWaalsContact CA-O 3.28Å; D378-L426 WeakPolarHBondContact CA-O 3.31Å; D378-L427 HydrophobicContact CB-CD2 4.03Å
379L94.7Very high86.8Confident0 Ų053.8 Ų53.80%028%0.284CS..Hα-helixtrans-60.6-32.8-177.817964.8000111.8Y382 M383 I392 Y400 P423 L426 I434 I485 M489L379-Y382 HydrophobicContact CD1-CD1 4.22Å; L379-Y382 PolarHBondContact O-N 3.1Å; L379-M383 HydrophobicContact CD1-CG 4.35Å; L379-M383 HydrophobicContact CG-CE 4.2Å; L379-M383 HydrophobicContact CG-SD 4.39Å; L379-M383 WeakPolarHBondContact O-CG 3.47Å; L379-M383 PolarHBondContact O-N 3.16Å; L379-I392 HydrophobicContact CD1-CD1 4.14Å; L379-Y400 HydrophobicContact CD1-CD2 4.22Å; L379-Y400 HydrophobicContact CD1-CE2 4.27Å; L379-P423 HydrophobicContact CB-CB 4.17Å; L379-P423 WeakPolarHBondContact CB-O 3.19Å; L379-P423 HydrophobicContact CD2-CB 4.23Å; L379-P423 HydrophobicContact CG-CB 4.21Å; L379-P423 PolarHBondContact N-O 2.97Å; L379-L426 HydrophobicContact CB-CB 3.99Å; L379-L426 HydrophobicContact CD2-CB 4.43Å; L379-L426 HydrophobicContact CD2-CD1 3.76Å; L379-L426 PolarHBondContact N-O 3.24Å; L379-I434 HydrophobicContact CD1-CD1 4.46Å; L379-I434 HydrophobicContact CD2-CD1 4.26Å; L379-I485 HydrophobicContact CD2-CG2 3.95Å; L379-M489 HydrophobicContact CD1-SD 4.37Å; L379-M489 HydrophobicContact CD2-CG 4.09Å; L379-M489 HydrophobicContact CD2-SD 3.94Å
380R90.4Very high87Confident60 Ų6061.3 Ų61.323%0.22631%0.312CS..Hα-helixtrans-62.1-53.1176.8-179.456.6-173.9-131.50.1110.9D378 Y382 M383 D384 P423 Q424 E488D378-R380 PolarHBondContact O-N 2.84Å; D378-R380 VanDerWaalsContact OD1-CB 3.3Å; D378-R380 WeakPolarHBondContact OD1-CB 3.2Å; D378-R380 PolarHBondContact OD1-N 3.09Å; R380-Y382 PolarHBondContact O-N 2.56Å; R380-M383 PolarHBondContact O-N 2.95Å; R380-D384 IonicContact CZ-OD1 2.93Å; R380-D384 IonicContact NE-OD1 3.58Å; R380-D384 PolarHBondContact NE-OD1 2.87Å; R380-D384 VanDerWaalsContact NE-OD1 3.08Å; R380-D384 IonicContact NE-OD2 3.59Å; R380-D384 PolarHBondContact NE-OD2 2.86Å; R380-D384 IonicContact NH2-OD1 3.39Å; R380-D384 PolarHBondContact O-N 2.95Å; R380-P423 HydrophobicContact CB-CB 3.89Å; R380-P423 PolarHBondContact N-O 3.33Å; R380-Q424 HydrophobicContact CB-CG 4Å; R380-Q424 HydrophobicContact CG-CG 4.35Å; R380-E488 IonicContact NH1-OE1 3.45Å; R380-E488 PolarHBondContact NH1-OE1 2.83Å
381K81.6Confident87.3Confident126 Ų12665.3 Ų65.355%0.54833%0.333SS..Hα-helixtrans-58.6-37.2177-73.7-174.2-169.7117.50112M377 D378 S385M377-K381 HydrophobicContact CB-CB 4.5Å; D378-K381 PolarHBondContact O-N 3.15Å; D378-K381 WeakPolarHBondContact OD1-CG 3.35Å; D378-K381 PolarHBondContact OD1-N 3.45Å; D378-K381 VanDerWaalsContact OD2-CD 3.28Å; D378-K381 WeakPolarHBondContact OD2-CD 3.44Å; D378-K381 VanDerWaalsContact OD2-CE 3.32Å; D378-K381 WeakPolarHBondContact OD2-CE 3.42Å; D378-K381 WeakPolarHBondContact OD2-CG 3.5Å; D378-K381 IonicContact OD2-NZ 3.56Å; D378-K381 PolarHBondContact OD2-NZ 3.14Å; K381-S385 WeakPolarHBondContact O-CB 3.31Å; K381-S385 PolarHBondContact O-N 2.73Å
382Y90.7Very high87.5Confident46 Ų4665.3 Ų65.318%0.1833%0.333CS..Hα-helixtrans-61.8-50.6175.7179.3-113.1000112M377 D378 L379 R380 D384 S385 L386 I392 L396 Y400 I428M377-Y382 HydrophobicContact SD-CD2 4Å; M377-Y382 HydrophobicContact SD-CG 4.39Å; D378-Y382 PolarHBondContact O-N 3.06Å; L379-Y382 HydrophobicContact CD1-CD1 4.22Å; L379-Y382 PolarHBondContact O-N 3.1Å; R380-Y382 PolarHBondContact O-N 2.56Å; Y382-D384 PolarHBondContact O-N 2.91Å; Y382-S385 WeakPolarHBondContact O-CB 3.42Å; Y382-S385 PolarHBondContact O-N 2.75Å; Y382-S385 VanDerWaalsContact O-N 3.11Å; Y382-S385 PolarHBondContact O-OG 3.34Å; Y382-L386 HydrophobicContact CE1-CD1 4.33Å; Y382-L386 HydrophobicContact CE2-CD2 4.48Å; Y382-L386 PolarHBondContact O-N 2.87Å; Y382-I392 HydrophobicContact CD1-CD1 4.34Å; Y382-I392 HydrophobicContact CD1-CG1 4.45Å; Y382-I392 HydrophobicContact CE1-CD1 4.2Å; Y382-I392 HydrophobicContact CE1-CG1 3.97Å; Y382-I392 HydrophobicContact CE1-CG2 4.32Å; Y382-L396 HydrophobicContact CE1-CD2 4.3Å; Y382-L396 WeakPolarHBondContact OH-CD2 3.32Å; Y382-Y400 HydrophobicContact CD1-CE2 4.44Å; Y382-Y400 HydrophobicContact CE1-CE2 4.22Å; Y382-I428 VanDerWaalsContact CB-CD1 3.48Å; Y382-I428 HydrophobicContact CD1-CD1 4.05Å; Y382-I428 HydrophobicContact CD2-CD1 3.79Å; Y382-I428 HydrophobicContact CG-CD1 3.48Å; Y382-I428 VanDerWaalsContact CG-CD1 3.48Å
383M90.9Very high87.7Confident18 Ų1869 Ų699%0.08935%0.354CS..Hα-helixtrans-61.4-43.9177.9-70.2-175.4-56.300111.9L379 R380 S385 L386 I392 P423 E488 M489L379-M383 HydrophobicContact CD1-CG 4.35Å; L379-M383 HydrophobicContact CG-CE 4.2Å; L379-M383 HydrophobicContact CG-SD 4.39Å; L379-M383 WeakPolarHBondContact O-CG 3.47Å; L379-M383 PolarHBondContact O-N 3.16Å; R380-M383 PolarHBondContact O-N 2.95Å; M383-S385 PolarHBondContact O-N 3.24Å; M383-L386 PolarHBondContact O-N 3.34Å; M383-I392 HydrophobicContact CG-CD1 3.85Å; M383-I392 HydrophobicContact CG-CG1 4.35Å; M383-I392 HydrophobicContact SD-CD1 4.22Å; M383-P423 HydrophobicContact CE-CB 3.7Å; M383-P423 HydrophobicContact CE-CG 3.83Å; M383-E488 HydrophobicContact CE-CG 3.91Å; M383-E488 HydrophobicContact SD-CG 4.15Å; M383-M489 HydrophobicContact SD-CG 4.2Å
384D85.6Confident87.8Confident94 Ų9475.8 Ų75.850%0.50338%0.378SS..Hα-helixtrans-61.3-33.6176.3-67.1-27.2000111.3R380 Y382 L386 G387R380-D384 IonicContact CZ-OD1 2.93Å; R380-D384 IonicContact NE-OD1 3.58Å; R380-D384 PolarHBondContact NE-OD1 2.87Å; R380-D384 VanDerWaalsContact NE-OD1 3.08Å; R380-D384 IonicContact NE-OD2 3.59Å; R380-D384 PolarHBondContact NE-OD2 2.86Å; R380-D384 IonicContact NH2-OD1 3.39Å; R380-D384 PolarHBondContact O-N 2.95Å; Y382-D384 PolarHBondContact O-N 2.91Å; D384-L386 VanDerWaalsContact C-N 3.33Å; D384-L386 PolarHBondContact O-N 3.24Å; D384-G387 PolarHBondContact O-N 3.2Å
385S88.3Confident88.1Confident84 Ų8480.4 Ų80.459%0.58740%0.398SS*.Hα-helixtrans-71.5-20.5-179.979.30000115K381 Y382 M383 G387K381-S385 WeakPolarHBondContact O-CB 3.31Å; K381-S385 PolarHBondContact O-N 2.73Å; Y382-S385 WeakPolarHBondContact O-CB 3.42Å; Y382-S385 PolarHBondContact O-N 2.75Å; Y382-S385 VanDerWaalsContact O-N 3.11Å; Y382-S385 PolarHBondContact O-OG 3.34Å; M383-S385 PolarHBondContact O-N 3.24Å; S385-G387 PolarHBondContact O-N 3.08Å
386L88.5Confident88.4Confident39 Ų3981.6 Ų81.620%0.20440%0.404CS..Hα-helixtrans-70.1-24.6178.3-65.3175.3000111.9Y382 M383 D384 R390 I392Y382-L386 HydrophobicContact CE1-CD1 4.33Å; Y382-L386 HydrophobicContact CE2-CD2 4.48Å; Y382-L386 PolarHBondContact O-N 2.87Å; M383-L386 PolarHBondContact O-N 3.34Å; D384-L386 VanDerWaalsContact C-N 3.33Å; D384-L386 PolarHBondContact O-N 3.24Å; L386-R390 HydrophobicContact CB-CB 3.99Å; L386-R390 WeakPolarHBondContact O-CB 3.47Å; L386-R390 WeakPolarHBondContact O-CD 3.41Å; L386-I392 HydrophobicContact CD1-CG1 3.85Å
387G81.3Confident89.2Confident31 Ų3180 Ų8032%0.3239%0.392SS..  trans82171.8-173.700000112.9D384 S385 E389 R390D384-G387 PolarHBondContact O-N 3.2Å; S385-G387 PolarHBondContact O-N 3.08Å; G387-E389 VanDerWaalsContact C-N 3.28Å; G387-E389 PolarHBondContact O-N 3.49Å; G387-R390 PolarHBondContact O-N 2.83Å
388P78.6Confident89.8Confident141 Ų14177.8 Ų77.892%0.91638%0.381SS*.THydrogen-bonded Turntrans-69.1-21-16926.2-34.4000114.7
389E80.6Confident90.2Very high191 Ų19177.6 Ų77.689%0.89338%0.381SS*.THydrogen-bonded Turntrans-99.8-7.7-176.2-61.6-161.6170.300114.1G387G387-E389 VanDerWaalsContact C-N 3.28Å; G387-E389 PolarHBondContact O-N 3.49Å
390R87.7Confident90.3Very high186 Ų18677.9 Ų77.970%0.70238%0.382SS*.  trans-113.2138.9-176.9-63.1-178.8176.6179.3-1.2110.5L386 G387L386-R390 HydrophobicContact CB-CB 3.99Å; L386-R390 WeakPolarHBondContact O-CB 3.47Å; L386-R390 WeakPolarHBondContact O-CD 3.41Å; G387-R390 PolarHBondContact O-N 2.83Å
391L92.4Very high90.7Very high85 Ų8575 Ų7545%0.44537%0.371SS..  trans-112.4164.6175.8-62.3174000109.9D393 V490L391-D393 PolarHBondContact O-N 3.4Å; L391-V490 WeakPolarHBondContact CD1-O 3.23Å
392I94.4Very high91.5Very high12 Ų1270 Ų706%0.06235%0.349CS..  trans-61.7135.5173.7-56.6179.8000108.4L379 Y382 M383 L386 R394 L396 L397 M489L379-I392 HydrophobicContact CD1-CD1 4.14Å; Y382-I392 HydrophobicContact CD1-CD1 4.34Å; Y382-I392 HydrophobicContact CD1-CG1 4.45Å; Y382-I392 HydrophobicContact CE1-CD1 4.2Å; Y382-I392 HydrophobicContact CE1-CG1 3.97Å; Y382-I392 HydrophobicContact CE1-CG2 4.32Å; M383-I392 HydrophobicContact CG-CD1 3.85Å; M383-I392 HydrophobicContact CG-CG1 4.35Å; M383-I392 HydrophobicContact SD-CD1 4.22Å; L386-I392 HydrophobicContact CD1-CG1 3.85Å; I392-R394 PolarHBondContact O-N 3.46Å; I392-L396 HydrophobicContact CG2-CB 4.15Å; I392-L396 HydrophobicContact CG2-CD2 4.22Å; I392-L396 HydrophobicContact CG2-CG 4.19Å; I392-L397 HydrophobicContact CB-CB 4.33Å; I392-L397 HydrophobicContact CG2-CB 3.88Å; I392-M489 HydrophobicContact CD1-CB 3.93Å; I392-M489 HydrophobicContact CD1-CG 3.78Å; I392-M489 HydrophobicContact CD1-SD 4.25Å
393D93.9Very high91.9Very high95 Ų9567.8 Ų67.851%0.50834%0.34SS..  trans-53.3138.9172.8171.9-97.8000111L391 K395 L396 L397L391-D393 PolarHBondContact O-N 3.4Å; D393-K395 VanDerWaalsContact C-N 3.31Å; D393-K395 PolarHBondContact O-N 3.06Å; D393-K395 WeakPolarHBondContact OD1-CA 3.47Å; D393-K395 VanDerWaalsContact OD1-CB 3.3Å; D393-K395 WeakPolarHBondContact OD1-CB 3.37Å; D393-K395 PolarHBondContact OD1-N 3.12Å; D393-L396 HydrophobicContact CB-CB 4.2Å; D393-L396 PolarHBondContact O-N 3.17Å; D393-L396 VanDerWaalsContact O-N 3.14Å; D393-L396 PolarHBondContact OD1-N 3.37Å; D393-L396 VanDerWaalsContact OD1-N 3.16Å; D393-L397 WeakPolarHBondContact O-CB 3.31Å; D393-L397 PolarHBondContact O-N 3.06Å
394R93.7Very high92.2Very high170 Ų17067 Ų6764%0.64234%0.336SS*.Hα-helixtrans-60.5-38-173.2-70.1-175.3173.6-165.9-4.4112.9I392 K398 T547I392-R394 PolarHBondContact O-N 3.46Å; R394-K398 WeakPolarHBondContact O-CB 3.32Å; R394-K398 PolarHBondContact O-N 3.15Å; R394-T547 PolarHBondContact NH2-O 2.85Å; R394-T547 VanDerWaalsContact NH2-O 3.08Å
395K94.1Very high92.8Very high168 Ų16862.6 Ų62.673%0.7331%0.313SS*.Hα-helixtrans-69.9-42.7178.6-62.1-178.3177.6-1790110.2D393 K398 S399D393-K395 VanDerWaalsContact C-N 3.31Å; D393-K395 PolarHBondContact O-N 3.06Å; D393-K395 WeakPolarHBondContact OD1-CA 3.47Å; D393-K395 VanDerWaalsContact OD1-CB 3.3Å; D393-K395 WeakPolarHBondContact OD1-CB 3.37Å; D393-K395 PolarHBondContact OD1-N 3.12Å; K395-K398 PolarHBondContact O-N 2.93Å; K395-S399 WeakPolarHBondContact O-CB 3.49Å; K395-S399 PolarHBondContact O-N 3.21Å
396L95.6Very high93.2Very high41 Ų4159.4 Ų59.422%0.21529%0.289CS..Hα-helixtrans-65-43177.1-174.760.5000112.1Y382 I392 D393 K398 S399 Y400Y382-L396 HydrophobicContact CE1-CD2 4.3Å; Y382-L396 WeakPolarHBondContact OH-CD2 3.32Å; I392-L396 HydrophobicContact CG2-CB 4.15Å; I392-L396 HydrophobicContact CG2-CD2 4.22Å; I392-L396 HydrophobicContact CG2-CG 4.19Å; D393-L396 HydrophobicContact CB-CB 4.2Å; D393-L396 PolarHBondContact O-N 3.17Å; D393-L396 VanDerWaalsContact O-N 3.14Å; D393-L396 PolarHBondContact OD1-N 3.37Å; D393-L396 VanDerWaalsContact OD1-N 3.16Å; L396-K398 PolarHBondContact O-N 2.73Å; L396-S399 WeakPolarHBondContact O-CB 3.45Å; L396-S399 PolarHBondContact O-N 3.35Å; L396-Y400 HydrophobicContact CD1-CD1 4.18Å; L396-Y400 HydrophobicContact CD1-CE1 3.69Å; L396-Y400 HydrophobicContact CD1-CE2 4.08Å; L396-Y400 HydrophobicContact CD2-CE2 4.02Å; L396-Y400 HydrophobicContact CG-CD2 4.18Å; L396-Y400 HydrophobicContact CG-CE1 4.3Å; L396-Y400 HydrophobicContact CG-CE2 3.77Å; L396-Y400 PolarHBondContact O-N 2.92Å
397L96.6Very high93.6Very high9 Ų957.5 Ų57.55%0.04728%0.279CS..Hα-helixtrans-58.6-49.1175.6-176.8160.1000111.1I392 D393 S399 Y400 L401 F486 M489 V490 Y578I392-L397 HydrophobicContact CB-CB 4.33Å; I392-L397 HydrophobicContact CG2-CB 3.88Å; D393-L397 WeakPolarHBondContact O-CB 3.31Å; D393-L397 PolarHBondContact O-N 3.06Å; L397-S399 VanDerWaalsContact C-N 3.32Å; L397-S399 PolarHBondContact O-N 3.43Å; L397-Y400 PolarHBondContact O-N 2.62Å; L397-L401 PolarHBondContact O-N 3.32Å; L397-F486 HydrophobicContact CD2-CD2 3.9Å; L397-F486 HydrophobicContact CD2-CE2 3.64Å; L397-M489 VanDerWaalsContact CD1-C 3.49Å; L397-M489 HydrophobicContact CD1-CB 3.74Å; L397-M489 WeakPolarHBondContact CD1-O 3.29Å; L397-M489 HydrophobicContact CG-CB 3.9Å; L397-M489 HydrophobicContact CG-CE 4.48Å; L397-V490 HydrophobicContact CD1-CB 4.46Å; L397-V490 HydrophobicContact CD1-CG2 3.82Å; L397-V490 HydrophobicContact CD2-CG2 4.41Å; L397-Y578 WeakPolarHBondContact CD2-OH 3.35Å
398K96.9Very high94.3Very high20 Ų2056 Ų569%0.08726%0.264CS..Hα-helixtrans-61.3-41.9177.6-174.4176.1-69.9-168.80111.2R394 K395 L396 L401 Y402 Y578 F579 D581 L582R394-K398 WeakPolarHBondContact O-CB 3.32Å; R394-K398 PolarHBondContact O-N 3.15Å; K395-K398 PolarHBondContact O-N 2.93Å; L396-K398 PolarHBondContact O-N 2.73Å; K398-L401 PolarHBondContact O-N 3.29Å; K398-Y402 WeakPolarHBondContact O-CB 3.31Å; K398-Y402 PolarHBondContact O-N 2.87Å; K398-Y578 HydrophobicContact CB-CE1 4.25Å; K398-Y578 HydrophobicContact CD-CE1 4.44Å; K398-Y578 VanDerWaalsContact CD-O 3.25Å; K398-Y578 WeakPolarHBondContact CD-O 3.26Å; K398-Y578 WeakPolarHBondContact CE-O 3.03Å; K398-Y578 HydrophobicContact CG-CD1 4.28Å; K398-Y578 HydrophobicContact CG-CE1 3.81Å; K398-Y578 PolarHBondContact NZ-O 2.9Å; K398-F579 HydrophobicContact CD-CD1 4.48Å; K398-F579 HydrophobicContact CG-CD1 3.77Å; K398-F579 HydrophobicContact CG-CE1 4.02Å; K398-F579 WeakPolarHBondContact O-CE1 3.22Å; K398-D581 IonicContact NZ-OD1 3.15Å; K398-D581 PolarHBondContact NZ-OD1 3.23Å; K398-D581 IonicContact NZ-OD2 2.62Å; K398-D581 PolarHBondContact NZ-OD2 2.91Å; K398-L582 HydrophobicContact CD-CB 4.27Å; K398-L582 HydrophobicContact CG-CD1 4.44Å; K398-L582 HydrophobicContact CG-CD2 4.46Å
399S97.5Very high95.1Very high13 Ų1351.3 Ų51.39%0.09123%0.23CC..Hα-helixtrans-59-47.9172.8173.10000112.2K395 L396 L397 Y402 Q403 L587K395-S399 WeakPolarHBondContact O-CB 3.49Å; K395-S399 PolarHBondContact O-N 3.21Å; L396-S399 WeakPolarHBondContact O-CB 3.45Å; L396-S399 PolarHBondContact O-N 3.35Å; L397-S399 VanDerWaalsContact C-N 3.32Å; L397-S399 PolarHBondContact O-N 3.43Å; S399-Y402 PolarHBondContact O-N 3.24Å; S399-Q403 WeakPolarHBondContact O-CB 3.23Å; S399-Q403 VanDerWaalsContact O-CG 3.3Å; S399-Q403 WeakPolarHBondContact O-CG 3.5Å; S399-Q403 PolarHBondContact O-N 3.36Å; S399-Q403 PolarHBondContact O-NE2 2.77Å; S399-Q403 PolarHBondContact OG-NE2 2.81Å; S399-L587 WeakPolarHBondContact OG-CD2 3.47Å
400Y98.1Very high95.8Very high6 Ų642.8 Ų42.82%0.02419%0.19CC..Hα-helixtrans-62.6-46.2177.8-74.6-17.2000112.1L379 Y382 L396 L397 Y402 Q403 I404 I428 G432 I434 M489L379-Y400 HydrophobicContact CD1-CD2 4.22Å; L379-Y400 HydrophobicContact CD1-CE2 4.27Å; Y382-Y400 HydrophobicContact CD1-CE2 4.44Å; Y382-Y400 HydrophobicContact CE1-CE2 4.22Å; L396-Y400 HydrophobicContact CD1-CD1 4.18Å; L396-Y400 HydrophobicContact CD1-CE1 3.69Å; L396-Y400 HydrophobicContact CD1-CE2 4.08Å; L396-Y400 HydrophobicContact CD2-CE2 4.02Å; L396-Y400 HydrophobicContact CG-CD2 4.18Å; L396-Y400 HydrophobicContact CG-CE1 4.3Å; L396-Y400 HydrophobicContact CG-CE2 3.77Å; L396-Y400 PolarHBondContact O-N 2.92Å; L397-Y400 PolarHBondContact O-N 2.62Å; Y400-Y402 VanDerWaalsContact C-N 3.3Å; Y400-Y402 PolarHBondContact O-N 2.68Å; Y400-Q403 PolarHBondContact O-N 2.92Å; Y400-I404 WeakPolarHBondContact O-CB 3.25Å; Y400-I404 WeakPolarHBondContact O-CD1 3.5Å; Y400-I404 WeakPolarHBondContact O-CG1 3.3Å; Y400-I404 PolarHBondContact O-N 2.94Å; Y400-I428 HydrophobicContact CE1-CG2 4.24Å; Y400-I428 HydrophobicContact CE2-CG2 4.37Å; Y400-G432 WeakPolarHBondContact CE1-O 3.38Å; Y400-I434 HydrophobicContact CD1-CB 3.68Å; Y400-I434 HydrophobicContact CD1-CD1 4.15Å; Y400-I434 HydrophobicContact CD1-CG2 3.65Å; Y400-I434 HydrophobicContact CD2-CD1 4.27Å; Y400-I434 HydrophobicContact CE1-CB 4.01Å; Y400-I434 HydrophobicContact CE1-CG2 4.42Å; Y400-I434 HydrophobicContact CG-CB 4.32Å; Y400-I434 HydrophobicContact CG-CD1 3.94Å; Y400-I434 HydrophobicContact CG-CG2 4.2Å; Y400-M489 HydrophobicContact CD2-SD 4.42Å
401L98.4Very high96.1Very high0 Ų034 Ų340%016%0.156CC..Hα-helixtrans-60.1-41.7178.4-173.963.9000111.9L397 K398 S405 I482 F486 M489 L555 M559 Y578 F579L397-L401 PolarHBondContact O-N 3.32Å; K398-L401 PolarHBondContact O-N 3.29Å; L401-S405 WeakPolarHBondContact O-CB 3.34Å; L401-S405 PolarHBondContact O-N 2.9Å; L401-S405 PolarHBondContact O-OG 2.68Å; L401-I482 HydrophobicContact CD1-CG2 3.73Å; L401-F486 HydrophobicContact CD1-CB 3.82Å; L401-F486 HydrophobicContact CD1-CD1 4.5Å; L401-F486 HydrophobicContact CD1-CG 4.06Å; L401-F486 HydrophobicContact CD2-CB 4.36Å; L401-F486 HydrophobicContact CD2-CD1 3.64Å; L401-F486 HydrophobicContact CD2-CD2 3.79Å; L401-F486 HydrophobicContact CD2-CE1 3.77Å; L401-F486 HydrophobicContact CD2-CE2 3.96Å; L401-F486 HydrophobicContact CD2-CG 3.66Å; L401-F486 HydrophobicContact CD2-CZ 3.95Å; L401-F486 HydrophobicContact CG-CG 4.47Å; L401-M489 HydrophobicContact CB-CE 4.26Å; L401-M489 HydrophobicContact CD1-CE 4.38Å; L401-L555 HydrophobicContact CD2-CD2 3.96Å; L401-M559 HydrophobicContact CD1-CE 4.27Å; L401-M559 HydrophobicContact CD2-CE 4.49Å; L401-Y578 HydrophobicContact CD2-CD1 4.22Å; L401-Y578 HydrophobicContact CD2-CE1 3.79Å; L401-F579 HydrophobicContact CB-CE1 4.31Å; L401-F579 HydrophobicContact CB-CZ 4.28Å; L401-F579 HydrophobicContact CD2-CE1 4.36Å; L401-F579 HydrophobicContact CD2-CZ 3.89Å; L401-F579 HydrophobicContact CG-CE1 4.42Å; L401-F579 HydrophobicContact CG-CZ 3.92Å
402Y98.2Very high96.1Very high21 Ų2130.5 Ų30.58%0.08214%0.138CC..Hα-helixtrans-60.9-51.2175.8-172.5-87.5000110.9K398 S399 Y400 I404 S405 D406 L574 F579 L582 K584 L587K398-Y402 WeakPolarHBondContact O-CB 3.31Å; K398-Y402 PolarHBondContact O-N 2.87Å; S399-Y402 PolarHBondContact O-N 3.24Å; Y400-Y402 VanDerWaalsContact C-N 3.3Å; Y400-Y402 PolarHBondContact O-N 2.68Å; Y402-I404 PolarHBondContact O-N 2.85Å; Y402-S405 PolarHBondContact O-N 2.89Å; Y402-D406 VanDerWaalsContact O-CB 3.31Å; Y402-D406 WeakPolarHBondContact O-CB 3.32Å; Y402-D406 PolarHBondContact O-N 3.21Å; Y402-L574 HydrophobicContact CD1-CD2 4.32Å; Y402-L574 HydrophobicContact CD2-CD2 3.88Å; Y402-L574 HydrophobicContact CE1-CD2 4.14Å; Y402-L574 HydrophobicContact CE2-CB 4.4Å; Y402-L574 HydrophobicContact CE2-CD2 3.68Å; Y402-L574 HydrophobicContact CG-CD2 4.2Å; Y402-F579 HydrophobicContact CD2-CB 4.07Å; Y402-F579 AromaticContact CD2-CD1 3.78Å; Y402-F579 HydrophobicContact CD2-CD1 3.78Å; Y402-F579 AromaticContact CD2-CD2 3.99Å; Y402-F579 HydrophobicContact CD2-CD2 3.99Å; Y402-F579 HydrophobicContact CD2-CE1 4.15Å; Y402-F579 HydrophobicContact CD2-CE2 4.33Å; Y402-F579 AromaticContact CD2-CG 3.69Å; Y402-F579 HydrophobicContact CD2-CG 3.69Å; Y402-F579 HydrophobicContact CD2-CZ 4.4Å; Y402-F579 HydrophobicContact CE2-CB 4.43Å; Y402-F579 HydrophobicContact CE2-CG 4.41Å; Y402-F579 HydrophobicContact CG-CD1 4.36Å; Y402-F579 HydrophobicContact CG-CE1 4.45Å; Y402-L582 HydrophobicContact CD1-CD2 4.41Å; Y402-L582 HydrophobicContact CD2-CD2 4Å; Y402-L582 HydrophobicContact CG-CD2 3.73Å; Y402-K584 HydrophobicContact CE1-CG 4.43Å; Y402-K584 HydrophobicContact CE2-CD 4.28Å; Y402-K584 HydrophobicContact CE2-CG 4.42Å; Y402-L587 HydrophobicContact CD1-CD1 3.48Å; Y402-L587 VanDerWaalsContact CD1-CD1 3.48Å; Y402-L587 HydrophobicContact CE1-CD1 3.81Å; Y402-L587 HydrophobicContact CG-CD1 4.25Å
403Q98Very high96Very high0 Ų032.3 Ų32.30%015%0.151CC..Hα-helixtrans-61.6-41.5-179.2-77.3-17774.500113.2N354 S399 Y400 D406 G407 G432 I434N354-Q403 WeakPolarHBondContact CB-O 3.43Å; N354-Q403 VanDerWaalsContact ND2-CB 3.34Å; N354-Q403 WeakPolarHBondContact ND2-CB 3.48Å; N354-Q403 WeakPolarHBondContact ND2-CG 3.33Å; N354-Q403 PolarHBondContact ND2-OE1 3.45Å; S399-Q403 WeakPolarHBondContact O-CB 3.23Å; S399-Q403 VanDerWaalsContact O-CG 3.3Å; S399-Q403 WeakPolarHBondContact O-CG 3.5Å; S399-Q403 PolarHBondContact O-N 3.36Å; S399-Q403 PolarHBondContact O-NE2 2.77Å; S399-Q403 PolarHBondContact OG-NE2 2.81Å; Y400-Q403 PolarHBondContact O-N 2.92Å; Q403-D406 PolarHBondContact O-N 3.34Å; Q403-G407 PolarHBondContact O-N 3Å; Q403-G432 PolarHBondContact NE2-O 2.89Å; Q403-I434 HydrophobicContact CB-CG2 3.33Å; Q403-I434 HydrophobicContact CG-CG2 4.24Å; Q403-I434 VanDerWaalsContact OE1-N 3.08Å
404I98.4Very high95.7Very high1 Ų131 Ų311%0.00514%0.139CC..Hα-helixtrans-61.3-48.2174.7-67.6163.7000109.8Y400 Y402 D406 G407 M408 L426 I434 L436 I482 I485 M489Y400-I404 WeakPolarHBondContact O-CB 3.25Å; Y400-I404 WeakPolarHBondContact O-CD1 3.5Å; Y400-I404 WeakPolarHBondContact O-CG1 3.3Å; Y400-I404 PolarHBondContact O-N 2.94Å; Y402-I404 PolarHBondContact O-N 2.85Å; I404-D406 VanDerWaalsContact C-N 3.29Å; I404-D406 PolarHBondContact O-N 2.83Å; I404-G407 PolarHBondContact O-N 2.75Å; I404-M408 WeakPolarHBondContact O-CB 3.43Å; I404-M408 PolarHBondContact O-N 3.34Å; I404-L426 HydrophobicContact CD1-CD1 3.74Å; I404-L426 HydrophobicContact CG1-CD1 4.3Å; I404-L426 HydrophobicContact CG1-CD2 4.19Å; I404-L426 HydrophobicContact CG2-CD2 4.49Å; I404-I434 HydrophobicContact CD1-CD1 3.86Å; I404-I434 HydrophobicContact CG1-CD1 4.01Å; I404-I434 HydrophobicContact CG1-CG1 4.22Å; I404-I434 HydrophobicContact CG1-CG2 4.07Å; I404-L436 HydrophobicContact CG2-CD2 4.09Å; I404-I482 HydrophobicContact CG2-CD1 4Å; I404-I482 HydrophobicContact CG2-CG1 3.85Å; I404-I482 HydrophobicContact CG2-CG2 4.3Å; I404-I485 HydrophobicContact CD1-CG2 4.46Å; I404-M489 HydrophobicContact CD1-CE 4.41Å
405S98.2Very high95.4Very high1 Ų129.5 Ų29.51%0.00713%0.134CC..Hα-helixtrans-65.5-34.4-178.3-55.30000111.9L401 Y402 M408 Q409 V573L401-S405 WeakPolarHBondContact O-CB 3.34Å; L401-S405 PolarHBondContact O-N 2.9Å; L401-S405 PolarHBondContact O-OG 2.68Å; Y402-S405 PolarHBondContact O-N 2.89Å; S405-M408 PolarHBondContact O-N 2.89Å; S405-Q409 VanDerWaalsContact O-CB 3.27Å; S405-Q409 WeakPolarHBondContact O-CB 3.42Å; S405-Q409 PolarHBondContact O-N 3.28Å; S405-V573 VanDerWaalsContact OG-CG1 3.32Å; S405-V573 WeakPolarHBondContact OG-CG1 3.19Å
406D96.5Very high95.1Very high17 Ų1721.5 Ų21.59%0.09110%0.099CC..Hα-helixtrans-68-48.2177.4-171.657000111.4H352 N354 Y402 Q403 I404 M408 Q409 F410 L574 R593H352-D406 IonicContact CE1-OD2 3.47Å; H352-D406 PolarHBondContact CE1-OD2 2.92Å; H352-D406 IonicContact NE2-OD2 2.73Å; H352-D406 PolarHBondContact NE2-OD2 3.05Å; N354-D406 PolarHBondContact OD1-OD2 2.88Å; Y402-D406 VanDerWaalsContact O-CB 3.31Å; Y402-D406 WeakPolarHBondContact O-CB 3.32Å; Y402-D406 PolarHBondContact O-N 3.21Å; Q403-D406 PolarHBondContact O-N 3.34Å; I404-D406 VanDerWaalsContact C-N 3.29Å; I404-D406 PolarHBondContact O-N 2.83Å; D406-M408 VanDerWaalsContact C-N 3.29Å; D406-M408 PolarHBondContact O-N 3.42Å; D406-Q409 PolarHBondContact O-N 2.84Å; D406-F410 PolarHBondContact O-N 3.48Å; D406-L574 HydrophobicContact CB-CD1 4.42Å; D406-L574 HydrophobicContact CB-CD2 3.89Å; D406-R593 IonicContact OD1-NE 3.28Å; D406-R593 IonicContact OD2-CZ 2.74Å; D406-R593 VanDerWaalsContact OD2-CZ 3.28Å; D406-R593 IonicContact OD2-NE 2.68Å; D406-R593 PolarHBondContact OD2-NE 2.96Å; D406-R593 IonicContact OD2-NH2 2.64Å; D406-R593 PolarHBondContact OD2-NH2 3.5Å
407G96.2Very high94.7Very high0 Ų019.5 Ų19.50%09%0.089CC..Hα-helixtrans-57.5-42.1171.400000112.5H352 Q403 I404 F410 C411H352-G407 PolarHBondContact CE1-N 2.91Å; Q403-G407 PolarHBondContact O-N 3Å; I404-G407 PolarHBondContact O-N 2.75Å; G407-F410 WeakPolarHBondContact O-CB 3.41Å; G407-F410 PolarHBondContact O-N 3.48Å; G407-C411 PolarHBondContact O-N 3.31Å; G407-C411 VanDerWaalsContact O-N 3.16Å; G407-C411 PolarHBondContact O-SG 3.46Å; G407-C411 VanDerWaalsContact O-SG 3.4Å
408M96.6Very high94.4Very high0 Ų019.1 Ų19.10%09%0.086CC..Hα-helixtrans-71.2-40.7-179.1-165.874.1-84.100112.1I404 S405 D406 F410 C411 H412 H418 L421 L436 D478 I482I404-M408 WeakPolarHBondContact O-CB 3.43Å; I404-M408 PolarHBondContact O-N 3.34Å; S405-M408 PolarHBondContact O-N 2.89Å; D406-M408 VanDerWaalsContact C-N 3.29Å; D406-M408 PolarHBondContact O-N 3.42Å; M408-F410 PolarHBondContact O-N 3.21Å; M408-C411 HydrophobicContact CE-CB 3.23Å; M408-C411 PolarHBondContact O-N 3.37Å; M408-H412 WeakPolarHBondContact CG-NE2 3.26Å; M408-H412 WeakPolarHBondContact O-CB 3.22Å; M408-H412 PolarHBondContact O-CD2 3.3Å; M408-H412 PolarHBondContact O-N 3.32Å; M408-H418 HydrophobicContact CE-CB 4.14Å; M408-H418 HydrophobicContact SD-CB 4.11Å; M408-L421 HydrophobicContact SD-CD1 3.7Å; M408-L436 HydrophobicContact CB-CD1 4.32Å; M408-L436 HydrophobicContact CE-CD1 4.4Å; M408-L436 HydrophobicContact SD-CD1 4.4Å; M408-D478 HydrophobicContact CG-CB 4.16Å; M408-D478 HydrophobicContact SD-CB 3.66Å; M408-I482 HydrophobicContact CB-CD1 3.87Å; M408-I482 HydrophobicContact CG-CD1 3.88Å
409Q95.9Very high93.9Very high41 Ų4118.7 Ų18.719%0.1928%0.084CC..Hα-helixtrans-56.7-41.6173.8172.853.131.200111.1S405 D406 H412 S413 A570 K571 L574S405-Q409 VanDerWaalsContact O-CB 3.27Å; S405-Q409 WeakPolarHBondContact O-CB 3.42Å; S405-Q409 PolarHBondContact O-N 3.28Å; D406-Q409 PolarHBondContact O-N 2.84Å; Q409-H412 PolarHBondContact O-N 2.94Å; Q409-S413 WeakPolarHBondContact O-CB 3.41Å; Q409-S413 PolarHBondContact O-N 3.47Å; Q409-S413 PolarHBondContact O-OG 3.27Å; Q409-A570 HydrophobicContact CB-CB 3.7Å; Q409-K571 HydrophobicContact CG-CB 4.49Å; Q409-L574 HydrophobicContact CB-CD1 3.86Å; Q409-L574 HydrophobicContact CG-CD1 3.98Å
410F94.1Very high93.3Very high13 Ų1318.5 Ų18.56%0.0578%0.083CC..Hα-helixtrans-61.7-47.1177.3-175.7-92.2000112.4V349 C351 H352 D406 G407 M408 S413 R414V349-F410 HydrophobicContact CB-CE1 4.25Å; V349-F410 HydrophobicContact CG1-CE1 4.43Å; C351-F410 WeakPolarHBondContact SG-CZ 3.31Å; H352-F410 HydrophobicContact CB-CD1 3.65Å; H352-F410 HydrophobicContact CB-CD2 4.25Å; H352-F410 HydrophobicContact CB-CE1 3.76Å; H352-F410 HydrophobicContact CB-CE2 4.3Å; H352-F410 HydrophobicContact CB-CG 3.89Å; H352-F410 HydrophobicContact CB-CZ 4.06Å; H352-F410 VanDerWaalsContact CD2-CB 3.48Å; H352-F410 WeakPolarHBondContact CD2-CB 3.36Å; H352-F410 AromaticContact CD2-CD1 4Å; H352-F410 AromaticContact CD2-CD2 3.23Å; H352-F410 WeakPolarHBondContact CD2-CD2 3.47Å; H352-F410 AromaticContact CD2-CE2 3.83Å; H352-F410 AromaticContact CD2-CG 3.3Å; H352-F410 WeakPolarHBondContact CD2-CG 3.48Å; H352-F410 AromaticContact CG-CD1 3.9Å; H352-F410 AromaticContact CG-CD2 3.98Å; H352-F410 AromaticContact CG-CG 3.65Å; D406-F410 PolarHBondContact O-N 3.48Å; G407-F410 WeakPolarHBondContact O-CB 3.41Å; G407-F410 PolarHBondContact O-N 3.48Å; M408-F410 PolarHBondContact O-N 3.21Å; F410-S413 PolarHBondContact O-OG 3.39Å; F410-R414 VanDerWaalsContact CE1-CZ 3.41Å; F410-R414 VanDerWaalsContact CE1-NH1 3.3Å; F410-R414 PolarHBondContact O-NH1 3.22Å
411C93.4Very high93.1Very high0 Ų018.2 Ų18.20%08%0.081CC..Hα-helixtrans-63.5-46174.7-67.40000112.2G407 M408 S413 R414 R415 I416G407-C411 PolarHBondContact O-N 3.31Å; G407-C411 VanDerWaalsContact O-N 3.16Å; G407-C411 PolarHBondContact O-SG 3.46Å; G407-C411 VanDerWaalsContact O-SG 3.4Å; M408-C411 HydrophobicContact CE-CB 3.23Å; M408-C411 PolarHBondContact O-N 3.37Å; C411-S413 VanDerWaalsContact C-N 3.29Å; C411-S413 PolarHBondContact O-N 2.69Å; C411-R414 CarbonylContact O-C 3.48Å; C411-R414 WeakPolarHBondContact O-CA 3.4Å; C411-R414 WeakPolarHBondContact O-CB 3.31Å; C411-R414 PolarHBondContact O-N 2.93Å; C411-R415 PolarHBondContact O-N 2.91Å; C411-I416 CarbonylContact C-O 3.58Å; C411-I416 HydrophobicContact CB-CB 4.14Å; C411-I416 HydrophobicContact CB-CG2 4.28Å; C411-I416 WeakPolarHBondContact O-CB 3.46Å; C411-I416 PolarHBondContact O-N 2.96Å
412H93.4Very high92.7Very high13 Ų1319.7 Ų19.76%0.069%0.088CC..Hα-helixtrans-59.7-39.2179.3-77.9-168.8000111.9M408 Q409 R414 R415 I416 L475 D478M408-H412 WeakPolarHBondContact CG-NE2 3.26Å; M408-H412 WeakPolarHBondContact O-CB 3.22Å; M408-H412 PolarHBondContact O-CD2 3.3Å; M408-H412 PolarHBondContact O-N 3.32Å; Q409-H412 PolarHBondContact O-N 2.94Å; H412-R414 PolarHBondContact O-N 3.15Å; H412-R415 PolarHBondContact O-N 3.49Å; H412-I416 PolarHBondContact CD2-O 2.84Å; H412-L475 HydrophobicContact CB-CD1 4.04Å; H412-L475 HydrophobicContact CB-CD2 4.12Å; H412-L475 PolarHBondContact CE1-O 2.92Å; H412-L475 VanDerWaalsContact CE1-O 3.23Å; H412-D478 IonicContact CD2-OD2 3.47Å; H412-D478 IonicContact CE1-OD2 2.69Å; H412-D478 IonicContact NE2-OD2 2.69Å; H412-D478 PolarHBondContact NE2-OD2 2.84Å
413S92Very high92.5Very high49 Ų4918.7 Ų18.734%0.3438%0.084SC..Hα-helixtrans-65.7-18175.473.50000114Q409 F410 C411 R600Q409-S413 WeakPolarHBondContact O-CB 3.41Å; Q409-S413 PolarHBondContact O-N 3.47Å; Q409-S413 PolarHBondContact O-OG 3.27Å; F410-S413 PolarHBondContact O-OG 3.39Å; C411-S413 VanDerWaalsContact C-N 3.29Å; C411-S413 PolarHBondContact O-N 2.69Å; S413-R600 PolarHBondContact OG-NH2 2.68Å
414R88.9Confident92Very high67 Ų6722.1 Ų22.125%0.25310%0.1SC..THydrogen-bonded Turntrans-10114.2172.5-72.6170.1178.770.92.1112.9F410 C411 H412 I416F410-R414 VanDerWaalsContact CE1-CZ 3.41Å; F410-R414 VanDerWaalsContact CE1-NH1 3.3Å; F410-R414 PolarHBondContact O-NH1 3.22Å; C411-R414 CarbonylContact O-C 3.48Å; C411-R414 WeakPolarHBondContact O-CA 3.4Å; C411-R414 WeakPolarHBondContact O-CB 3.31Å; C411-R414 PolarHBondContact O-N 2.93Å; H412-R414 PolarHBondContact O-N 3.15Å; R414-I416 HydrophobicContact CB-CD1 3.91Å; R414-I416 HydrophobicContact CB-CG1 4.31Å; R414-I416 PolarHBondContact O-N 3.02Å
415R86.5Confident91.7Very high139 Ų13922.6 Ų22.653%0.52510%0.102SC..THydrogen-bonded Turntrans58.932.7-179.2-50.4177.4-174.2172.51.1112.8C411 H412 A444 F445C411-R415 PolarHBondContact O-N 2.91Å; H412-R415 PolarHBondContact O-N 3.49Å; R415-A444 CarbonylContact O-C 3.39Å; R415-A444 VanDerWaalsContact O-CA 3.31Å; R415-A444 WeakPolarHBondContact O-CA 3.28Å; R415-F445 HydrophobicContact CB-CD1 3.86Å; R415-F445 HydrophobicContact CB-CD2 4.12Å; R415-F445 HydrophobicContact CB-CE1 3.58Å; R415-F445 HydrophobicContact CB-CE2 3.86Å; R415-F445 HydrophobicContact CB-CG 4.11Å; R415-F445 HydrophobicContact CB-CZ 3.57Å; R415-F445 WeakPolarHBondContact CD-O 3.18Å; R415-F445 HydrophobicContact CG-CE1 4.39Å; R415-F445 HydrophobicContact CG-CE2 3.97Å; R415-F445 HydrophobicContact CG-CZ 3.89Å; R415-F445 WeakPolarHBondContact O-CD1 3.1Å; R415-F445 VanDerWaalsContact O-CE1 3.26Å; R415-F445 WeakPolarHBondContact O-CE1 3.41Å; R415-F445 PolarHBondContact O-N 2.79Å
416I87.3Confident91.6Very high0 Ų022.5 Ų22.50%010%0.102CC..EExtended strand (participates in β ladder)trans-103.3120.4176.1-64.6161.5000108.3I345 V349 C411 H412 R414 F439 A442I345-I416 HydrophobicContact CG2-CD1 4.22Å; I345-I416 HydrophobicContact CG2-CG2 3.93Å; V349-I416 HydrophobicContact CG1-CD1 3.46Å; V349-I416 VanDerWaalsContact CG1-CD1 3.46Å; C411-I416 CarbonylContact C-O 3.58Å; C411-I416 HydrophobicContact CB-CB 4.14Å; C411-I416 HydrophobicContact CB-CG2 4.28Å; C411-I416 WeakPolarHBondContact O-CB 3.46Å; C411-I416 PolarHBondContact O-N 2.96Å; H412-I416 PolarHBondContact CD2-O 2.84Å; R414-I416 HydrophobicContact CB-CD1 3.91Å; R414-I416 HydrophobicContact CB-CG1 4.31Å; R414-I416 PolarHBondContact O-N 3.02Å; I416-F439 HydrophobicContact CG2-CD1 4.36Å; I416-F439 HydrophobicContact CG2-CE1 4.3Å; I416-A442 HydrophobicContact CG2-CB 4.37Å
417M88.1Confident91.5Very high0 Ų023.8 Ų23.80%011%0.109CC..EExtended strand (participates in β ladder)trans-97.2136.3167.7-67.5-178.5-73.300109.6R419 A442 R443 F445 Y452 Y473 S474 L475 L477 D478M417-R419 HydrophobicContact CB-CG 3.88Å; M417-A442 WeakPolarHBondContact O-CA 3.23Å; M417-A442 WeakPolarHBondContact O-CB 3.32Å; M417-R443 PolarHBondContact N-O 3.04Å; M417-R443 VanDerWaalsContact N-O 3.11Å; M417-R443 PolarHBondContact O-N 3.36Å; M417-R443 VanDerWaalsContact O-N 3.16Å; M417-F445 HydrophobicContact CE-CB 4.34Å; M417-F445 HydrophobicContact CE-CD1 3.95Å; M417-F445 HydrophobicContact CE-CG 4.45Å; M417-F445 HydrophobicContact CG-CD1 4.18Å; M417-F445 HydrophobicContact CG-CE1 4.24Å; M417-Y452 HydrophobicContact CE-CE1 4Å; M417-Y452 HydrophobicContact CE-CE2 4.01Å; M417-Y473 HydrophobicContact SD-CD2 4.46Å; M417-S474 VanDerWaalsContact SD-C 3.54Å; M417-L475 HydrophobicContact CG-CD2 3.75Å; M417-L477 HydrophobicContact SD-CD2 3.93Å; M417-D478 WeakPolarHBondContact CA-OD2 3.5Å
418H89.5Confident91.3Very high0 Ų024 Ų240%011%0.11CC..  trans-79.9-47.5-179.8-172.3-47000111.9M408 D420 L421 A437 D438 D478M408-H418 HydrophobicContact CE-CB 4.14Å; M408-H418 HydrophobicContact SD-CB 4.11Å; H418-D420 PolarHBondContact ND1-N 3.09Å; H418-D420 PolarHBondContact O-N 3.02Å; H418-D420 VanDerWaalsContact O-N 3.13Å; H418-L421 HydrophobicContact CB-CD1 4.5Å; H418-L421 HydrophobicContact CB-CD2 4.26Å; H418-L421 HydrophobicContact CB-CG 3.98Å; H418-L421 VanDerWaalsContact CD2-CD2 3.41Å; H418-L421 WeakPolarHBondContact CD2-CD2 3.47Å; H418-A437 PolarHBondContact CE1-O 3.01Å; H418-A437 PolarHBondContact NE2-O 2.71Å; H418-D438 PolarHBondContact CE1-O 2.99Å; H418-D438 VanDerWaalsContact CE1-O 3.23Å; H418-D478 PolarHBondContact N-OD1 3.37Å; H418-D478 PolarHBondContact N-OD2 2.8Å
419R86.5Confident90.8Very high11 Ų1126.2 Ų26.24%0.04212%0.121CC..  trans65.90.7176.9-48.2-168.8-64.3158.73117.2M417 L441 V456 V457 Y473 L477 D478M417-R419 HydrophobicContact CB-CG 3.88Å; R419-L441 PolarHBondContact NE-O 2.91Å; R419-L441 PolarHBondContact NH2-O 2.86Å; R419-V456 HydrophobicContact CB-CG1 4.46Å; R419-V457 WeakPolarHBondContact O-CG2 3.27Å; R419-Y473 PolarHBondContact NH1-OH 3.36Å; R419-L477 HydrophobicContact CB-CD1 4.23Å; R419-L477 HydrophobicContact CG-CD1 4.1Å; R419-L477 HydrophobicContact CG-CD2 4.23Å; R419-D478 PolarHBondContact N-OD1 2.78Å
420D85.7Confident90.2Very high10 Ų1033 Ų335%0.05315%0.153CC..  trans-144.842174-164.841.2000110.6H418 K422 N425 L441 T458H418-D420 PolarHBondContact ND1-N 3.09Å; H418-D420 PolarHBondContact O-N 3.02Å; H418-D420 VanDerWaalsContact O-N 3.13Å; D420-K422 PolarHBondContact O-N 3.43Å; D420-K422 IonicContact OD1-NZ 2.74Å; D420-K422 PolarHBondContact OD1-NZ 2.94Å; D420-K422 WeakPolarHBondContact OD2-CE 3.36Å; D420-K422 IonicContact OD2-NZ 3.41Å; D420-K422 PolarHBondContact OD2-NZ 3.21Å; D420-N425 PolarHBondContact O-ND2 3.3Å; D420-N425 PolarHBondContact OD2-ND2 3.01Å; D420-L441 HydrophobicContact CB-CB 4.34Å; D420-L441 HydrophobicContact CB-CD1 3.81Å; D420-T458 PolarHBondContact OD1-N 3.26Å; D420-T458 VanDerWaalsContact OD1-N 3.08Å; D420-T458 PolarHBondContact OD1-OG1 2.99Å
421L93.2Very high89.8Confident0 Ų042.8 Ų42.80%019%0.19CC..  trans-67.7121.8172.8-73.2176.2000109.7M408 H418 L426 L436 Y461 D478 I482 I485M408-L421 HydrophobicContact SD-CD1 3.7Å; H418-L421 HydrophobicContact CB-CD1 4.5Å; H418-L421 HydrophobicContact CB-CD2 4.26Å; H418-L421 HydrophobicContact CB-CG 3.98Å; H418-L421 VanDerWaalsContact CD2-CD2 3.41Å; H418-L421 WeakPolarHBondContact CD2-CD2 3.47Å; L421-L426 HydrophobicContact CD2-CD2 4.38Å; L421-L436 HydrophobicContact CD2-CD2 3.84Å; L421-Y461 WeakPolarHBondContact O-CB 3.46Å; L421-D478 HydrophobicContact CD1-CB 3.87Å; L421-I482 HydrophobicContact CD1-CD1 3.96Å; L421-I482 HydrophobicContact CD1-CG1 3.69Å; L421-I485 HydrophobicContact CB-CD1 4.14Å
422K90.6Very high89.7Confident31 Ų3143.4 Ų43.414%0.13520%0.196CC..  trans-159.3159.1177.763.1-165.8-174.2-152.50109D420 Q424 N425 L426 T458 Y461D420-K422 PolarHBondContact O-N 3.43Å; D420-K422 IonicContact OD1-NZ 2.74Å; D420-K422 PolarHBondContact OD1-NZ 2.94Å; D420-K422 WeakPolarHBondContact OD2-CE 3.36Å; D420-K422 IonicContact OD2-NZ 3.41Å; D420-K422 PolarHBondContact OD2-NZ 3.21Å; K422-Q424 HydrophobicContact CG-CB 4.2Å; K422-Q424 VanDerWaalsContact CG-OE1 3.27Å; K422-Q424 PolarHBondContact O-N 3.39Å; K422-N425 WeakPolarHBondContact CE-ND2 3.28Å; K422-N425 WeakPolarHBondContact CE-OD1 3.49Å; K422-N425 HydrophobicContact CG-CB 4.03Å; K422-N425 PolarHBondContact O-N 3Å; K422-L426 PolarHBondContact O-N 3.32Å; K422-T458 HydrophobicContact CD-CG2 4.36Å; K422-T458 WeakPolarHBondContact CD-OG1 3.42Å; K422-T458 PolarHBondContact NZ-OG1 3.24Å; K422-Y461 HydrophobicContact CB-CD2 3.59Å; K422-Y461 HydrophobicContact CB-CE2 3.53Å; K422-Y461 HydrophobicContact CB-CG 4.23Å
423P93Very high89.7Confident0 Ų043.1 Ų43.10%020%0.196CC..G310 helixtrans-56.1-27.2-179.2-27.337.1000114.5L379 R380 M383 N425 L426 Y461 I485L379-P423 HydrophobicContact CB-CB 4.17Å; L379-P423 WeakPolarHBondContact CB-O 3.19Å; L379-P423 HydrophobicContact CD2-CB 4.23Å; L379-P423 HydrophobicContact CG-CB 4.21Å; L379-P423 PolarHBondContact N-O 2.97Å; R380-P423 HydrophobicContact CB-CB 3.89Å; R380-P423 PolarHBondContact N-O 3.33Å; M383-P423 HydrophobicContact CE-CB 3.7Å; M383-P423 HydrophobicContact CE-CG 3.83Å; P423-N425 VanDerWaalsContact C-N 3.28Å; P423-N425 PolarHBondContact O-N 3.18Å; P423-L426 PolarHBondContact O-N 3.5Å; P423-Y461 WeakPolarHBondContact CD-OH 3.16Å; P423-Y461 HydrophobicContact CG-CE1 4.17Å; P423-Y461 WeakPolarHBondContact CG-OH 3.28Å; P423-I485 HydrophobicContact CG-CG1 4.35Å
424Q88.1Confident90Very high71 Ų7140.8 Ų40.833%0.33218%0.18SC..G310 helixtrans-70.3-23.4175.3-59.8813.600113.5R380 K422R380-Q424 HydrophobicContact CB-CG 4Å; R380-Q424 HydrophobicContact CG-CG 4.35Å; K422-Q424 HydrophobicContact CG-CB 4.2Å; K422-Q424 VanDerWaalsContact CG-OE1 3.27Å; K422-Q424 PolarHBondContact O-N 3.39Å
425N91.9Very high90.4Very high11 Ų1139 Ų396%0.05917%0.174CC..G310 helixtrans-100.912.2-179.6-69.40.9000112D420 K422 P423 A437 D438D420-N425 PolarHBondContact O-ND2 3.3Å; D420-N425 PolarHBondContact OD2-ND2 3.01Å; K422-N425 WeakPolarHBondContact CE-ND2 3.28Å; K422-N425 WeakPolarHBondContact CE-OD1 3.49Å; K422-N425 HydrophobicContact CG-CB 4.03Å; K422-N425 PolarHBondContact O-N 3Å; P423-N425 VanDerWaalsContact C-N 3.28Å; P423-N425 PolarHBondContact O-N 3.18Å; N425-A437 PolarHBondContact O-N 3.42Å; N425-D438 HydrophobicContact CB-CB 4.43Å
426L95.9Very high90.8Very high0 Ų032.4 Ų32.40%015%0.149CC..EExtended strand (participates in β ladder)trans-115.3109.2175.2-62.7173.8000108.4D378 L379 I404 L421 K422 P423 I434 L436 I485D378-L426 CarbonylContact C-O 3.51Å; D378-L426 VanDerWaalsContact CA-O 3.28Å; D378-L426 WeakPolarHBondContact CA-O 3.31Å; L379-L426 HydrophobicContact CB-CB 3.99Å; L379-L426 HydrophobicContact CD2-CB 4.43Å; L379-L426 HydrophobicContact CD2-CD1 3.76Å; L379-L426 PolarHBondContact N-O 3.24Å; I404-L426 HydrophobicContact CD1-CD1 3.74Å; I404-L426 HydrophobicContact CG1-CD1 4.3Å; I404-L426 HydrophobicContact CG1-CD2 4.19Å; I404-L426 HydrophobicContact CG2-CD2 4.49Å; L421-L426 HydrophobicContact CD2-CD2 4.38Å; K422-L426 PolarHBondContact O-N 3.32Å; P423-L426 PolarHBondContact O-N 3.5Å; L426-I434 HydrophobicContact CB-CD1 4.08Å; L426-I434 HydrophobicContact CB-CG1 4.23Å; L426-L436 HydrophobicContact CD2-CD2 3.42Å; L426-L436 VanDerWaalsContact CD2-CD2 3.42Å; L426-I485 HydrophobicContact CD1-CD1 3.83Å; L426-I485 HydrophobicContact CD1-CG2 3.85Å
427L93.9Very high91Very high44 Ų4432.8 Ų32.823%0.2315%0.152CC..EExtended strand (participates in β ladder)trans-94.6138-175.7-58.9-178.8000110.4V356 L375 D378 I434 K435 A437V356-L427 HydrophobicContact CG2-CD1 4.28Å; L375-L427 HydrophobicContact CB-CB 3.81Å; L375-L427 HydrophobicContact CB-CD1 4.46Å; L375-L427 HydrophobicContact CD1-CB 3.94Å; L375-L427 HydrophobicContact CD1-CD1 3.91Å; L375-L427 HydrophobicContact CD2-CB 3.85Å; L375-L427 HydrophobicContact CG-CB 4.07Å; D378-L427 HydrophobicContact CB-CD2 4.03Å; L427-I434 CarbonylContact O-C 3.52Å; L427-I434 VanDerWaalsContact O-CA 3.3Å; L427-I434 WeakPolarHBondContact O-CA 3.38Å; L427-K435 PolarHBondContact N-O 3.31Å; L427-K435 PolarHBondContact O-N 3.31Å; L427-A437 HydrophobicContact CD1-CB 3.62Å; L427-A437 HydrophobicContact CG-CB 3.7Å
428I93Very high90.7Very high4 Ų435 Ų352%0.02116%0.164CC..EExtended strand (participates in β ladder)trans-123.3158-179.866.6168.6000112.3S376 M377 Y382 Y400 A433 I434S376-I428 PolarHBondContact N-O 2.84Å; S376-I428 VanDerWaalsContact N-O 3.14Å; S376-I428 PolarHBondContact OG-O 3.01Å; M377-I428 HydrophobicContact CG-CD1 3.72Å; M377-I428 HydrophobicContact CG-CG1 3.46Å; M377-I428 VanDerWaalsContact CG-CG1 3.46Å; M377-I428 PolarHBondContact N-O 3.44Å; M377-I428 PolarHBondContact O-N 3.21Å; M377-I428 HydrophobicContact SD-CD1 4.06Å; M377-I428 HydrophobicContact SD-CG1 4.45Å; Y382-I428 VanDerWaalsContact CB-CD1 3.48Å; Y382-I428 HydrophobicContact CD1-CD1 4.05Å; Y382-I428 HydrophobicContact CD2-CD1 3.79Å; Y382-I428 HydrophobicContact CG-CD1 3.48Å; Y382-I428 VanDerWaalsContact CG-CD1 3.48Å; Y400-I428 HydrophobicContact CE1-CG2 4.24Å; Y400-I428 HydrophobicContact CE2-CG2 4.37Å; I428-A433 WeakPolarHBondContact CA-O 3.41Å; I428-I434 HydrophobicContact CG2-CB 3.92Å; I428-I434 HydrophobicContact CG2-CD1 3.68Å; I428-I434 HydrophobicContact CG2-CG1 3.68Å
429N85.2Confident90.2Very high47 Ų4735.1 Ų35.125%0.25116%0.164SC..  trans-123.5169.6170.17219.3000112.2L375 S376 R431 G432 A433L375-N429 HydrophobicContact CD2-CB 4.5Å; S376-N429 WeakPolarHBondContact OG-CA 3.08Å; N429-R431 PolarHBondContact O-N 3.33Å; N429-R431 VanDerWaalsContact O-N 3.07Å; N429-R431 WeakPolarHBondContact OD1-CA 3.19Å; N429-R431 WeakPolarHBondContact OD1-CB 3.47Å; N429-R431 PolarHBondContact OD1-N 2.82Å; N429-G432 PolarHBondContact O-N 3.42Å; N429-G432 VanDerWaalsContact O-N 3.13Å; N429-G432 PolarHBondContact OD1-N 3.02Å; N429-A433 PolarHBondContact N-O 3.16Å; N429-A433 VanDerWaalsContact N-O 3.12Å; N429-A433 WeakPolarHBondContact ND2-CB 3.29Å; N429-A433 VanDerWaalsContact OD1-CB 3.3Å; N429-A433 WeakPolarHBondContact OD1-CB 3.48Å; N429-A433 PolarHBondContact OD1-N 3.21Å
430E83.5Confident89.1Confident183 Ų18335.8 Ų35.886%0.85518%0.175SC*.THydrogen-bonded Turntrans-62.6-13.9-179.5-63.4167.1-169.700113.9
431R86.3Confident87.6Confident218 Ų21838.4 Ų38.482%0.82319%0.189SC*.THydrogen-bonded Turntrans-93.36.9179.4-57.1-177.9-177.4-173.8-1113N429 A433 P588N429-R431 PolarHBondContact O-N 3.33Å; N429-R431 VanDerWaalsContact O-N 3.07Å; N429-R431 WeakPolarHBondContact OD1-CA 3.19Å; N429-R431 WeakPolarHBondContact OD1-CB 3.47Å; N429-R431 PolarHBondContact OD1-N 2.82Å; R431-A433 VanDerWaalsContact C-N 3.34Å; R431-P588 WeakPolarHBondContact O-CG 3.08Å
432G91.1Very high85.6Confident13 Ų1338.6 Ų38.613%0.13419%0.19CC..SBendtrans76.318.8-178.900000114.2Y400 Q403 N429Y400-G432 WeakPolarHBondContact CE1-O 3.38Å; Q403-G432 PolarHBondContact NE2-O 2.89Å; N429-G432 PolarHBondContact O-N 3.42Å; N429-G432 VanDerWaalsContact O-N 3.13Å; N429-G432 PolarHBondContact OD1-N 3.02Å
433A94.4Very high83.9Confident7 Ų740.5 Ų40.56%0.05820%0.197CC..  trans-81.5142.7170.100000109.8I428 N429 R431 P588I428-A433 WeakPolarHBondContact CA-O 3.41Å; N429-A433 PolarHBondContact N-O 3.16Å; N429-A433 VanDerWaalsContact N-O 3.12Å; N429-A433 WeakPolarHBondContact ND2-CB 3.29Å; N429-A433 VanDerWaalsContact OD1-CB 3.3Å; N429-A433 WeakPolarHBondContact OD1-CB 3.48Å; N429-A433 PolarHBondContact OD1-N 3.21Å; R431-A433 VanDerWaalsContact C-N 3.34Å; A433-P588 HydrophobicContact CB-CB 3.54Å; A433-P588 HydrophobicContact CB-CG 4.04Å
434I97.5Very high81.6Confident1 Ų143.5 Ų43.51%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-127.1139170.1-170.2158.1000110.3N354 L379 Y400 Q403 I404 L426 L427 I428N354-I434 PolarHBondContact ND2-O 3.25Å; L379-I434 HydrophobicContact CD1-CD1 4.46Å; L379-I434 HydrophobicContact CD2-CD1 4.26Å; Y400-I434 HydrophobicContact CD1-CB 3.68Å; Y400-I434 HydrophobicContact CD1-CD1 4.15Å; Y400-I434 HydrophobicContact CD1-CG2 3.65Å; Y400-I434 HydrophobicContact CD2-CD1 4.27Å; Y400-I434 HydrophobicContact CE1-CB 4.01Å; Y400-I434 HydrophobicContact CE1-CG2 4.42Å; Y400-I434 HydrophobicContact CG-CB 4.32Å; Y400-I434 HydrophobicContact CG-CD1 3.94Å; Y400-I434 HydrophobicContact CG-CG2 4.2Å; Q403-I434 HydrophobicContact CB-CG2 3.33Å; Q403-I434 HydrophobicContact CG-CG2 4.24Å; Q403-I434 VanDerWaalsContact OE1-N 3.08Å; I404-I434 HydrophobicContact CD1-CD1 3.86Å; I404-I434 HydrophobicContact CG1-CD1 4.01Å; I404-I434 HydrophobicContact CG1-CG1 4.22Å; I404-I434 HydrophobicContact CG1-CG2 4.07Å; L426-I434 HydrophobicContact CB-CD1 4.08Å; L426-I434 HydrophobicContact CB-CG1 4.23Å; L427-I434 CarbonylContact O-C 3.52Å; L427-I434 VanDerWaalsContact O-CA 3.3Å; L427-I434 WeakPolarHBondContact O-CA 3.38Å; I428-I434 HydrophobicContact CG2-CB 3.92Å; I428-I434 HydrophobicContact CG2-CD1 3.68Å; I428-I434 HydrophobicContact CG2-CG1 3.68Å
435K96.5Very high79.5Confident28 Ų2841.8 Ų41.812%0.12221%0.213CC..EExtended strand (participates in β ladder)trans-133.1138.1-175.5-59.2-163.6177.4-150.20112P353 N354 E373 L375 L427P353-K435 WeakPolarHBondContact O-CE 3.37Å; P353-K435 PolarHBondContact O-NZ 2.92Å; N354-K435 WeakPolarHBondContact O-CA 3.29Å; E373-K435 WeakPolarHBondContact OE1-CD 3.27Å; E373-K435 IonicContact OE1-NZ 3.21Å; E373-K435 PolarHBondContact OE1-NZ 3.44Å; E373-K435 WeakPolarHBondContact OE2-CE 3.25Å; E373-K435 IonicContact OE2-NZ 3.82Å; E373-K435 PolarHBondContact OE2-NZ 3.36Å; L375-K435 HydrophobicContact CD1-CD 4.3Å; L375-K435 HydrophobicContact CD2-CB 4.29Å; L375-K435 HydrophobicContact CD2-CD 4.08Å; L375-K435 HydrophobicContact CD2-CG 4Å; L427-K435 PolarHBondContact N-O 3.31Å; L427-K435 PolarHBondContact O-N 3.31Å
436L96.2Very high76.6Confident1 Ų143.6 Ų43.61%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-67.2134.5169.8-54.2-175.1000109.9N354 V355 V356 I404 M408 L421 L426 F439N354-L436 WeakPolarHBondContact O-CG 3.48Å; N354-L436 PolarHBondContact O-N 3.44Å; V355-L436 HydrophobicContact CG2-CB 4.44Å; V355-L436 HydrophobicContact CG2-CD1 4.37Å; V356-L436 WeakPolarHBondContact CB-O 3.5Å; V356-L436 WeakPolarHBondContact CG1-O 3.22Å; V356-L436 PolarHBondContact N-O 3.05Å; I404-L436 HydrophobicContact CG2-CD2 4.09Å; M408-L436 HydrophobicContact CB-CD1 4.32Å; M408-L436 HydrophobicContact CE-CD1 4.4Å; M408-L436 HydrophobicContact SD-CD1 4.4Å; L421-L436 HydrophobicContact CD2-CD2 3.84Å; L426-L436 HydrophobicContact CD2-CD2 3.42Å; L426-L436 VanDerWaalsContact CD2-CD2 3.42Å; L436-F439 HydrophobicContact CB-CE2 4.17Å; L436-F439 HydrophobicContact CB-CZ 4.09Å
437A90.6Very high73.4Confident8 Ų849.3 Ų49.37%0.06627%0.268CS..  trans-138.8169179.400000112V356 H418 N425 L427V356-A437 HydrophobicContact CB-CB 4.24Å; V356-A437 HydrophobicContact CG1-CB 3.95Å; H418-A437 PolarHBondContact CE1-O 3.01Å; H418-A437 PolarHBondContact NE2-O 2.71Å; N425-A437 PolarHBondContact O-N 3.42Å; L427-A437 HydrophobicContact CD1-CB 3.62Å; L427-A437 HydrophobicContact CG-CB 3.7Å
438D82Confident70.5Confident48 Ų4852.2 Ų52.226%0.25729%0.29SS..  trans60.770178.3-157.99000114.7K324 H418 N425 G440K324-D438 IonicContact NZ-OD1 2.71Å; K324-D438 PolarHBondContact NZ-OD1 2.8Å; H418-D438 PolarHBondContact CE1-O 2.99Å; H418-D438 VanDerWaalsContact CE1-O 3.23Å; N425-D438 HydrophobicContact CB-CB 4.43Å; D438-G440 PolarHBondContact O-N 2.96Å
439F79.1Confident67.7Low1 Ų154.5 Ų54.50%0.00430%0.302CS..G310 helixtrans-82.615.8175.3-72.6-104.2000112.5I345 L346 V349 V355 I416 L436 L441 A442I345-F439 HydrophobicContact CG2-CB 4.18Å; I345-F439 HydrophobicContact CG2-CD1 3.63Å; I345-F439 HydrophobicContact CG2-CE1 4.38Å; I345-F439 HydrophobicContact CG2-CG 4.16Å; L346-F439 HydrophobicContact CD2-CB 4.33Å; L346-F439 HydrophobicContact CD2-CD2 3.64Å; L346-F439 HydrophobicContact CD2-CE2 4.26Å; L346-F439 HydrophobicContact CD2-CG 4.18Å; L346-F439 HydrophobicContact CG-CB 4.34Å; V349-F439 HydrophobicContact CG2-CZ 4.39Å; V355-F439 HydrophobicContact CG1-CE2 3.64Å; V355-F439 HydrophobicContact CG1-CZ 3.68Å; I416-F439 HydrophobicContact CG2-CD1 4.36Å; I416-F439 HydrophobicContact CG2-CE1 4.3Å; L436-F439 HydrophobicContact CB-CE2 4.17Å; L436-F439 HydrophobicContact CB-CZ 4.09Å; F439-L441 PolarHBondContact O-N 3.42Å; F439-L441 VanDerWaalsContact O-N 3.09Å; F439-A442 HydrophobicContact CB-CB 3.78Å; F439-A442 HydrophobicContact CD1-CB 3.64Å; F439-A442 HydrophobicContact CG-CB 4.17Å; F439-A442 VanDerWaalsContact O-CB 3.23Å; F439-A442 WeakPolarHBondContact O-CB 3.41Å; F439-A442 PolarHBondContact O-N 3.02Å
440G63.4Low65.2Low26 Ų2661.9 Ų61.927%0.26833%0.326SS..G310 helixtrans-59.9-22.6-179.900000113.8D438D438-G440 PolarHBondContact O-N 2.96Å
441L55.4Low62.8Low65 Ų6557.3 Ų57.334%0.3431%0.313SS..G310 helixtrans-104.12.7173.1-64.4-179.6000113.5R419 D420 F439 V456R419-L441 PolarHBondContact NE-O 2.91Å; R419-L441 PolarHBondContact NH2-O 2.86Å; D420-L441 HydrophobicContact CB-CB 4.34Å; D420-L441 HydrophobicContact CB-CD1 3.81Å; F439-L441 PolarHBondContact O-N 3.42Å; F439-L441 VanDerWaalsContact O-N 3.09Å; L441-V456 HydrophobicContact CB-CG1 3.68Å; L441-V456 HydrophobicContact CD1-CG1 3.63Å; L441-V456 HydrophobicContact CD2-CG1 3.67Å; L441-V456 HydrophobicContact CG-CG1 3.82Å
442A51Low60.8Low3 Ų347.8 Ų47.83%0.02528%0.277CS..  trans-70.3152.5-179.300000112.3I345 I416 M417 F439I345-A442 HydrophobicContact CD1-CB 3.77Å; I345-A442 HydrophobicContact CG2-CB 4.29Å; I416-A442 HydrophobicContact CG2-CB 4.37Å; M417-A442 WeakPolarHBondContact O-CA 3.23Å; M417-A442 WeakPolarHBondContact O-CB 3.32Å; F439-A442 HydrophobicContact CB-CB 3.78Å; F439-A442 HydrophobicContact CD1-CB 3.64Å; F439-A442 HydrophobicContact CG-CB 4.17Å; F439-A442 VanDerWaalsContact O-CB 3.23Å; F439-A442 WeakPolarHBondContact O-CB 3.41Å; F439-A442 PolarHBondContact O-N 3.02Å
443R54.7Low58.5Low72 Ų7250.6 Ų50.627%0.27229%0.292SS..EExtended strand (participates in β ladder)trans-139.2132.9173.3-93-173.8177.9-178.2-3.5110.6M417 Y452M417-R443 PolarHBondContact N-O 3.04Å; M417-R443 VanDerWaalsContact N-O 3.11Å; M417-R443 PolarHBondContact O-N 3.36Å; M417-R443 VanDerWaalsContact O-N 3.16Å; R443-Y452 HydrophobicContact CB-CE1 4.19Å; R443-Y452 VanDerWaalsContact CD-CD1 3.49Å; R443-Y452 HydrophobicContact CG-CE1 4.43Å
444A44.1Very low56.1Low63 Ų6353.6 Ų53.652%0.52130%0.304SS..EExtended strand (participates in β ladder)trans-71.2135.4157.900000108.9R415R415-A444 CarbonylContact O-C 3.39Å; R415-A444 VanDerWaalsContact O-CA 3.31Å; R415-A444 WeakPolarHBondContact O-CA 3.28Å
445F44.7Very low53.8Low34 Ų3458.1 Ų58.115%0.14933%0.325CS..  trans-110.6134.3175.564.8-92.3000112.5R415 M417 L449 Y452 L475R415-F445 HydrophobicContact CB-CD1 3.86Å; R415-F445 HydrophobicContact CB-CD2 4.12Å; R415-F445 HydrophobicContact CB-CE1 3.58Å; R415-F445 HydrophobicContact CB-CE2 3.86Å; R415-F445 HydrophobicContact CB-CG 4.11Å; R415-F445 HydrophobicContact CB-CZ 3.57Å; R415-F445 WeakPolarHBondContact CD-O 3.18Å; R415-F445 HydrophobicContact CG-CE1 4.39Å; R415-F445 HydrophobicContact CG-CE2 3.97Å; R415-F445 HydrophobicContact CG-CZ 3.89Å; R415-F445 WeakPolarHBondContact O-CD1 3.1Å; R415-F445 VanDerWaalsContact O-CE1 3.26Å; R415-F445 WeakPolarHBondContact O-CE1 3.41Å; R415-F445 PolarHBondContact O-N 2.79Å; M417-F445 HydrophobicContact CE-CB 4.34Å; M417-F445 HydrophobicContact CE-CD1 3.95Å; M417-F445 HydrophobicContact CE-CG 4.45Å; M417-F445 HydrophobicContact CG-CD1 4.18Å; M417-F445 HydrophobicContact CG-CE1 4.24Å; F445-L449 HydrophobicContact CB-CD2 3.87Å; F445-L449 HydrophobicContact CD2-CD2 3.78Å; F445-L449 HydrophobicContact CG-CD2 3.91Å; F445-Y452 WeakPolarHBondContact CB-OH 3.41Å; F445-L475 HydrophobicContact CE1-CD2 3.43Å; F445-L475 VanDerWaalsContact CE1-CD2 3.43Å; F445-L475 HydrophobicContact CE1-CG 4.22Å; F445-L475 HydrophobicContact CZ-CD1 4.4Å; F445-L475 HydrophobicContact CZ-CD2 3.83Å; F445-L475 HydrophobicContact CZ-CG 4.17Å
446G30.4Very low51.4Low49 Ų4957.3 Ų57.351%0.50532%0.323SS..PPolyproline II helixtrans-88.5157165.300000110.7P448 L449G446-P448 CarbonylContact O-C 3.55Å; G446-P448 VanDerWaalsContact O-C 3.23Å; G446-L449 PolarHBondContact O-N 3.34Å
447V29.3Very low49Very low120 Ų12058 Ų5873%0.72733%0.327SS*.SBendtrans-94.9125168.2-179.30000107.1
448P31.8Very low47.4Very low106 Ų10660.1 Ų60.169%0.68834%0.339SS*.SBendcis-83.1151.34.133.3-32.8000113.7G446 R450G446-P448 CarbonylContact O-C 3.55Å; G446-P448 VanDerWaalsContact O-C 3.23Å; P448-R450 PolarHBondContact O-N 2.93Å
449L35.7Very low47.4Very low52 Ų5259.4 Ų59.427%0.27234%0.335SS..PPolyproline II helixtrans-58.4125.1177.8-72.4158.9000110.9F445 G446 Y452F445-L449 HydrophobicContact CB-CD2 3.87Å; F445-L449 HydrophobicContact CD2-CD2 3.78Å; F445-L449 HydrophobicContact CG-CD2 3.91Å; G446-L449 PolarHBondContact O-N 3.34Å; L449-Y452 HydrophobicContact CD2-CE2 4.19Å
450R31.6Very low48Very low201 Ų20163.2 Ų63.276%0.75835%0.35SS*.PPolyproline II helixtrans-88.7156.5175.4-64.9-174.8-174.7-177.91.6111.1P448 Y452P448-R450 PolarHBondContact O-N 2.93Å; R450-Y452 WeakPolarHBondContact O-CD2 3.12Å; R450-Y452 WeakPolarHBondContact O-CE2 3.36Å; R450-Y452 PolarHBondContact O-N 3.46Å
451P32.6Very low49.5Very low88 Ų8862.1 Ų62.157%0.57134%0.337SS*.PPolyproline II helixtrans-57.5135.5174.2-20.130.7000111.5E471P451-E471 WeakPolarHBondContact CA-O 3.38Å
452Y45.2Very low51.2Low17 Ų1759.9 Ų59.97%0.06732%0.324CS..  trans-108.2154.8178.7-64.8-91.7000111.2M417 R443 F445 L449 R450 Y473M417-Y452 HydrophobicContact CE-CE1 4Å; M417-Y452 HydrophobicContact CE-CE2 4.01Å; R443-Y452 HydrophobicContact CB-CE1 4.19Å; R443-Y452 VanDerWaalsContact CD-CD1 3.49Å; R443-Y452 HydrophobicContact CG-CE1 4.43Å; F445-Y452 WeakPolarHBondContact CB-OH 3.41Å; L449-Y452 HydrophobicContact CD2-CE2 4.19Å; R450-Y452 WeakPolarHBondContact O-CD2 3.12Å; R450-Y452 WeakPolarHBondContact O-CE2 3.36Å; R450-Y452 PolarHBondContact O-N 3.46Å; Y452-Y473 WeakPolarHBondContact CB-OH 3.47Å; Y452-Y473 HydrophobicContact CD1-CE2 4.34Å; Y452-Y473 HydrophobicContact CD2-CD2 4.14Å; Y452-Y473 HydrophobicContact CD2-CE1 4.39Å; Y452-Y473 AromaticContact CD2-CE2 3.82Å; Y452-Y473 HydrophobicContact CD2-CE2 3.82Å; Y452-Y473 HydrophobicContact CG-CE1 4.28Å; Y452-Y473 AromaticContact CG-CE2 3.77Å; Y452-Y473 HydrophobicContact CG-CE2 3.77Å; Y452-Y473 AromaticContact CG-CZ 3.67Å
453T43.3Very low53.2Low72 Ų7259.8 Ų59.844%0.44232%0.324SS..  trans-64.9136.3171.443.90000110.2V456 Y473T453-V456 VanDerWaalsContact O-CG2 3.26Å; T453-V456 WeakPolarHBondContact O-CG2 3.49Å; T453-V456 WeakPolarHBondContact OG1-CG2 3.38Å; T453-Y473 PolarHBondContact O-OH 3.45Å; T453-Y473 VanDerWaalsContact O-OH 3.1Å
454H42.2Very low55.1Low71 Ų7156.4 Ų56.433%0.32931%0.311SS..SBendtrans-80-20.6-173.4-69.8-86.7000114V456 G469 C470H454-V456 VanDerWaalsContact C-N 3.28Å; H454-V456 PolarHBondContact O-N 2.99Å; H454-G469 PolarHBondContact CE1-O 3.29Å; H454-C470 PolarHBondContact CE1-O 3.08Å
455E49.4Very low57.5Low95 Ų9553.4 Ų53.444%0.44429%0.286SS..  trans-84.734.8-172.2-67.5-149.3131.300116.4N69N69-E455 VanDerWaalsContact CB-CD 3.46Å; N69-E455 VanDerWaalsContact CB-OE1 3.26Å; N69-E455 WeakPolarHBondContact CB-OE1 3.33Å; N69-E455 WeakPolarHBondContact CB-OE2 3.49Å; N69-E455 WeakPolarHBondContact ND2-CG 3.46Å; N69-E455 PolarHBondContact ND2-OE1 3.18Å; N69-E455 PolarHBondContact ND2-OE2 2.89Å; N69-E455 VanDerWaalsContact ND2-OE2 3.12Å
456V46Very low59.7Low12 Ų1252.2 Ų52.27%0.07328%0.282CS..  trans-121.754.4-161.2-159.90000111R419 L441 T453 H454R419-V456 HydrophobicContact CB-CG1 4.46Å; L441-V456 HydrophobicContact CB-CG1 3.68Å; L441-V456 HydrophobicContact CD1-CG1 3.63Å; L441-V456 HydrophobicContact CD2-CG1 3.67Å; L441-V456 HydrophobicContact CG-CG1 3.82Å; T453-V456 VanDerWaalsContact O-CG2 3.26Å; T453-V456 WeakPolarHBondContact O-CG2 3.49Å; T453-V456 WeakPolarHBondContact OG1-CG2 3.38Å; H454-V456 VanDerWaalsContact C-N 3.28Å; H454-V456 PolarHBondContact O-N 2.99Å
457V47.4Very low62.5Low14 Ų1450.1 Ų50.19%0.08526%0.259CS..SBendtrans-164.9144.5166.7-1600000109.6R419 L459 R462R419-V457 WeakPolarHBondContact O-CG2 3.27Å; V457-L459 PolarHBondContact O-N 3.39Å; V457-R462 HydrophobicContact CB-CB 4.06Å; V457-R462 HydrophobicContact CB-CG 4.15Å; V457-R462 HydrophobicContact CG1-CB 4.37Å; V457-R462 HydrophobicContact CG2-CB 4.2Å; V457-R462 HydrophobicContact CG2-CG 3.85Å; V457-R462 PolarHBondContact O-NH2 3.32Å
458T57Low65.5Low53 Ų5344.4 Ų44.433%0.32522%0.224SC..  trans-55.7123.8159.8-53.70000110D420 K422 W460 Y461D420-T458 PolarHBondContact OD1-N 3.26Å; D420-T458 VanDerWaalsContact OD1-N 3.08Å; D420-T458 PolarHBondContact OD1-OG1 2.99Å; K422-T458 HydrophobicContact CD-CG2 4.36Å; K422-T458 WeakPolarHBondContact CD-OG1 3.42Å; K422-T458 PolarHBondContact NZ-OG1 3.24Å; T458-W460 VanDerWaalsContact C-N 3.27Å; T458-W460 PolarHBondContact O-N 3.01Å; T458-Y461 HydrophobicContact CG2-CD2 4.42Å; T458-Y461 HydrophobicContact CG2-CE2 4.38Å; T458-Y461 PolarHBondContact O-N 3.25Å
459L80.7Confident68.2Low33 Ų3339.7 Ų39.717%0.17320%0.195CC..G310 helixtrans-49.2-37.7-161.7-175.862.8000115.6V457 Y461 R462 L467 G498 S500 E501 Q504V457-L459 PolarHBondContact O-N 3.39Å; L459-Y461 VanDerWaalsContact C-N 3.29Å; L459-Y461 PolarHBondContact O-N 2.97Å; L459-R462 WeakPolarHBondContact O-CB 3.36Å; L459-R462 PolarHBondContact O-N 2.95Å; L459-L467 HydrophobicContact CD1-CD2 3.97Å; L459-G498 WeakPolarHBondContact CD2-O 3.39Å; L459-S500 WeakPolarHBondContact CD2-O 3.42Å; L459-E501 HydrophobicContact CD1-CG 4.02Å; L459-Q504 HydrophobicContact CD1-CB 3.79Å; L459-Q504 HydrophobicContact CD1-CG 3.91Å; L459-Q504 HydrophobicContact CD2-CB 4.27Å; L459-Q504 HydrophobicContact CG-CB 3.91Å; L459-Q504 HydrophobicContact CG-CG 3.98Å; L459-Q504 WeakPolarHBondContact O-CG 3.17Å; L459-Q504 PolarHBondContact O-NE2 3.42Å; L459-Q504 PolarHBondContact O-OE1 2.97Å
460W92.7Very high70.5Confident82 Ų8238.5 Ų38.531%0.31119%0.191SC..G310 helixtrans-68.5-22.4-172.6-59-9.5000115.1T458 P494 F496 P497 G498 Q504T458-W460 VanDerWaalsContact C-N 3.27Å; T458-W460 PolarHBondContact O-N 3.01Å; W460-P494 HydrophobicContact CD2-CB 4.33Å; W460-P494 HydrophobicContact CE3-CB 3.63Å; W460-P494 HydrophobicContact CE3-CG 3.51Å; W460-P494 HydrophobicContact CH2-CG 4.3Å; W460-P494 HydrophobicContact CZ3-CB 4.02Å; W460-P494 HydrophobicContact CZ3-CG 3.37Å; W460-F496 WeakPolarHBondContact CA-O 3.08Å; W460-F496 WeakPolarHBondContact CB-O 3.26Å; W460-P497 HydrophobicContact CD2-CB 4.29Å; W460-P497 HydrophobicContact CZ2-CB 4.12Å; W460-G498 PolarHBondContact NE1-O 3.37Å; W460-Q504 PolarHBondContact O-NE2 2.8Å
461Y94Very high72.4Confident2 Ų234.4 Ų34.41%0.00818%0.18CC..G310 helixtrans-107.65.1-178.3-46.7-84.8000112.1L421 K422 P423 T458 L459 S481 C484 I485 E488L421-Y461 WeakPolarHBondContact O-CB 3.46Å; K422-Y461 HydrophobicContact CB-CD2 3.59Å; K422-Y461 HydrophobicContact CB-CE2 3.53Å; K422-Y461 HydrophobicContact CB-CG 4.23Å; P423-Y461 WeakPolarHBondContact CD-OH 3.16Å; P423-Y461 HydrophobicContact CG-CE1 4.17Å; P423-Y461 WeakPolarHBondContact CG-OH 3.28Å; T458-Y461 HydrophobicContact CG2-CD2 4.42Å; T458-Y461 HydrophobicContact CG2-CE2 4.38Å; T458-Y461 PolarHBondContact O-N 3.25Å; L459-Y461 VanDerWaalsContact C-N 3.29Å; L459-Y461 PolarHBondContact O-N 2.97Å; Y461-S481 PolarHBondContact O-OG 3.16Å; Y461-C484 HydrophobicContact CD1-CB 3.77Å; Y461-C484 HydrophobicContact CE1-CB 4.49Å; Y461-I485 HydrophobicContact CD1-CG1 3.91Å; Y461-I485 HydrophobicContact CE1-CG1 3.98Å; Y461-E488 WeakPolarHBondContact CE1-OE2 3.26Å; Y461-E488 PolarHBondContact OH-OE2 2.89Å
462R90.7Very high74.2Confident18 Ų1838.2 Ų38.27%0.06818%0.183CC..  trans-75.1135.9-177.8-167.2176.9-68.8177.92.4110.4V457 L459 V466 L467 W480 E501V457-R462 HydrophobicContact CB-CB 4.06Å; V457-R462 HydrophobicContact CB-CG 4.15Å; V457-R462 HydrophobicContact CG1-CB 4.37Å; V457-R462 HydrophobicContact CG2-CB 4.2Å; V457-R462 HydrophobicContact CG2-CG 3.85Å; V457-R462 PolarHBondContact O-NH2 3.32Å; L459-R462 WeakPolarHBondContact O-CB 3.36Å; L459-R462 PolarHBondContact O-N 2.95Å; R462-V466 HydrophobicContact CG-CB 3.89Å; R462-V466 HydrophobicContact CG-CG1 3.9Å; R462-L467 HydrophobicContact CB-CG 4.39Å; R462-L467 HydrophobicContact CG-CD2 4.28Å; R462-L467 HydrophobicContact CG-CG 4.01Å; R462-W480 PolarHBondContact O-NE1 3.22Å; R462-W480 VanDerWaalsContact O-NE1 3.14Å; R462-E501 IonicContact CZ-OE1 3.16Å; R462-E501 IonicContact NH1-OE1 2.85Å; R462-E501 PolarHBondContact NH1-OE1 2.76Å
463S94.4Very high75.5Confident2 Ų237.8 Ų37.81%0.01418%0.182CC..  trans-77.8153.4-17966.10000112.6E465 V466 L467 W480S463-E465 VanDerWaalsContact C-N 3.26Å; S463-E465 VanDerWaalsContact CB-CD 3.41Å; S463-E465 WeakPolarHBondContact CB-OE1 3.32Å; S463-E465 VanDerWaalsContact CB-OE2 3.31Å; S463-E465 WeakPolarHBondContact CB-OE2 3.44Å; S463-E465 PolarHBondContact O-N 2.91Å; S463-E465 PolarHBondContact OG-OE1 2.89Å; S463-E465 PolarHBondContact OG-OE2 3.22Å; S463-V466 PolarHBondContact O-N 2.97Å; S463-V466 VanDerWaalsContact O-N 3.15Å; S463-V466 WeakPolarHBondContact OG-CG2 3.48Å; S463-L467 PolarHBondContact O-N 3.31Å; S463-L467 VanDerWaalsContact O-N 3.15Å; S463-W480 VanDerWaalsContact CA-CD1 3.45Å
464P95Very high77.2Confident0 Ų036.5 Ų36.50%018%0.176CC..Hα-helixtrans-62.2-32.6-176.524.3-34.4000112.3V466 L467 L468 W480 W520 Y562P464-V466 VanDerWaalsContact C-N 3.34Å; P464-V466 PolarHBondContact O-N 3.47Å; P464-L467 PolarHBondContact O-N 3.45Å; P464-L468 VanDerWaalsContact O-CB 3.28Å; P464-L468 WeakPolarHBondContact O-CB 3.09Å; P464-L468 VanDerWaalsContact O-CG 3.26Å; P464-L468 WeakPolarHBondContact O-CG 3.31Å; P464-L468 PolarHBondContact O-N 2.97Å; P464-W480 HydrophobicContact CG-CE3 4.17Å; P464-W480 HydrophobicContact CG-CH2 3.9Å; P464-W480 HydrophobicContact CG-CZ2 4.33Å; P464-W480 HydrophobicContact CG-CZ3 3.8Å; P464-W520 HydrophobicContact CB-CZ3 4.33Å; P464-W520 HydrophobicContact CG-CZ3 4.49Å; P464-Y562 HydrophobicContact CB-CD1 4.11Å; P464-Y562 HydrophobicContact CB-CE1 4.28Å; P464-Y562 HydrophobicContact CG-CD1 3.92Å; P464-Y562 HydrophobicContact CG-CE1 4.39Å
465E93.4Very high79.4Confident1 Ų135.6 Ų35.61%0.00517%0.173CC..Hα-helixtrans-65.2-34.7175.866.3-82.4-171.400113.8S463 G469 C470 W520 P564 R567S463-E465 VanDerWaalsContact C-N 3.26Å; S463-E465 VanDerWaalsContact CB-CD 3.41Å; S463-E465 WeakPolarHBondContact CB-OE1 3.32Å; S463-E465 VanDerWaalsContact CB-OE2 3.31Å; S463-E465 WeakPolarHBondContact CB-OE2 3.44Å; S463-E465 PolarHBondContact O-N 2.91Å; S463-E465 PolarHBondContact OG-OE1 2.89Å; S463-E465 PolarHBondContact OG-OE2 3.22Å; E465-G469 PolarHBondContact O-N 3.45Å; E465-C470 HydrophobicContact CB-CB 3.95Å; E465-C470 WeakPolarHBondContact O-CB 3.31Å; E465-C470 PolarHBondContact O-N 3.2Å; E465-W520 HydrophobicContact CB-CH2 3.55Å; E465-W520 HydrophobicContact CB-CZ2 4.11Å; E465-P564 HydrophobicContact CB-CG 3.88Å; E465-P564 HydrophobicContact CG-CG 3.71Å; E465-R567 IonicContact OE1-CZ 3.8Å; E465-R567 IonicContact OE1-NH1 2.83Å; E465-R567 PolarHBondContact OE1-NH1 3.19Å; E465-R567 IonicContact OE1-NH2 2.73Å; E465-R567 IonicContact OE2-CZ 3.97Å; E465-R567 IonicContact OE2-NH1 3.89Å; E465-R567 PolarHBondContact OE2-NH1 2.88Å; E465-R567 IonicContact OE2-NH2 3.69Å; E465-R567 PolarHBondContact OE2-NH2 2.96Å
466V89.9Confident81.4Confident8 Ų831.4 Ų31.45%0.04816%0.156CC..Hα-helixtrans-72.1-42.1175.1-179.60000109.8R462 S463 P464 L468 G469 Y473R462-V466 HydrophobicContact CG-CB 3.89Å; R462-V466 HydrophobicContact CG-CG1 3.9Å; S463-V466 PolarHBondContact O-N 2.97Å; S463-V466 VanDerWaalsContact O-N 3.15Å; S463-V466 WeakPolarHBondContact OG-CG2 3.48Å; P464-V466 VanDerWaalsContact C-N 3.34Å; P464-V466 PolarHBondContact O-N 3.47Å; V466-L468 VanDerWaalsContact C-N 3.34Å; V466-L468 PolarHBondContact O-N 3.24Å; V466-G469 PolarHBondContact O-N 2.87Å; V466-Y473 HydrophobicContact CG2-CD1 4.06Å; V466-Y473 HydrophobicContact CG2-CE1 4.33Å; V466-Y473 HydrophobicContact CG2-CG 4.3Å
467L90.9Very high83.7Confident5 Ų531 Ų313%0.02615%0.153CC..Hα-helixtrans-66.6-31.5178.3-70.5165000113.5L459 R462 S463 P464 G469 E501 Q504 L505 I508L459-L467 HydrophobicContact CD1-CD2 3.97Å; R462-L467 HydrophobicContact CB-CG 4.39Å; R462-L467 HydrophobicContact CG-CD2 4.28Å; R462-L467 HydrophobicContact CG-CG 4.01Å; S463-L467 PolarHBondContact O-N 3.31Å; S463-L467 VanDerWaalsContact O-N 3.15Å; P464-L467 PolarHBondContact O-N 3.45Å; L467-G469 VanDerWaalsContact C-N 3.25Å; L467-G469 PolarHBondContact O-N 2.97Å; L467-E501 HydrophobicContact CD2-CB 3.93Å; L467-E501 HydrophobicContact CD2-CG 4.11Å; L467-Q504 HydrophobicContact CD1-CB 4.23Å; L467-Q504 HydrophobicContact CD1-CG 3.6Å; L467-Q504 HydrophobicContact CD2-CB 4.31Å; L467-Q504 HydrophobicContact CD2-CG 4.21Å; L467-L505 HydrophobicContact CB-CD1 4.09Å; L467-L505 HydrophobicContact CB-CD2 3.7Å; L467-L505 HydrophobicContact CB-CG 3.76Å; L467-L505 HydrophobicContact CD1-CD2 4.07Å; L467-L505 HydrophobicContact CD1-CG 4.1Å; L467-L505 HydrophobicContact CG-CG 4.42Å; L467-I508 HydrophobicContact CD1-CD1 3.71Å
468L92.3Very high85.9Confident0 Ų030.4 Ų30.40%015%0.149CC..THydrogen-bonded Turntrans-876.9177.6-68.4169.3000112.7P464 V466 L505 W520 V523 L526 E528 Y529 F533P464-L468 VanDerWaalsContact O-CB 3.28Å; P464-L468 WeakPolarHBondContact O-CB 3.09Å; P464-L468 VanDerWaalsContact O-CG 3.26Å; P464-L468 WeakPolarHBondContact O-CG 3.31Å; P464-L468 PolarHBondContact O-N 2.97Å; V466-L468 VanDerWaalsContact C-N 3.34Å; V466-L468 PolarHBondContact O-N 3.24Å; L468-L505 HydrophobicContact CD1-CD2 4.49Å; L468-L505 HydrophobicContact CD2-CD1 3.89Å; L468-L505 HydrophobicContact CD2-CD2 4.04Å; L468-L505 HydrophobicContact CG-CD1 4.45Å; L468-L505 HydrophobicContact CG-CD2 3.93Å; L468-W520 HydrophobicContact CD1-CH2 4.37Å; L468-W520 HydrophobicContact CD1-CZ3 3.86Å; L468-V523 HydrophobicContact CD1-CG2 3.91Å; L468-L526 HydrophobicContact CB-CB 4.04Å; L468-L526 HydrophobicContact CB-CD1 3.63Å; L468-L526 HydrophobicContact CB-CG 4.48Å; L468-L526 HydrophobicContact CD1-CD1 3.79Å; L468-L526 HydrophobicContact CG-CD1 4.34Å; L468-L526 WeakPolarHBondContact O-CB 3.38Å; L468-E528 PolarHBondContact O-N 3.22Å; L468-Y529 HydrophobicContact CD2-CD2 4.37Å; L468-F533 HydrophobicContact CD2-CE2 3.99Å
469G86.7Confident87.9Confident8 Ų828 Ų288%0.08213%0.134CC..THydrogen-bonded Turntrans77.323174.200000114.4H454 E465 V466 L467 E471 P527H454-G469 PolarHBondContact CE1-O 3.29Å; E465-G469 PolarHBondContact O-N 3.45Å; V466-G469 PolarHBondContact O-N 2.87Å; L467-G469 VanDerWaalsContact C-N 3.25Å; L467-G469 PolarHBondContact O-N 2.97Å; G469-E471 PolarHBondContact O-N 3.1Å; G469-E471 VanDerWaalsContact O-N 3.1Å; G469-P527 WeakPolarHBondContact O-CD 3.34Å; G469-P527 VanDerWaalsContact O-CG 3.32Å; G469-P527 WeakPolarHBondContact O-CG 3.1Å
470C85.1Confident88.7Confident27 Ų2726.4 Ų26.418%0.18213%0.126CC..  trans-61.2116.3175.1-170.50000110.3H454 E465 R472 L526H454-C470 PolarHBondContact CE1-O 3.08Å; E465-C470 HydrophobicContact CB-CB 3.95Å; E465-C470 WeakPolarHBondContact O-CB 3.31Å; E465-C470 PolarHBondContact O-N 3.2Å; C470-R472 VanDerWaalsContact C-N 3.27Å; C470-R472 PolarHBondContact O-N 3.45Å; C470-R472 PolarHBondContact SG-O 3.46Å; C470-L526 HydrophobicContact CB-CD2 3.92Å
471E71.1Confident88.9Confident114 Ų11422.6 Ų22.653%0.53311%0.112SC..SBendtrans-67.8-27.1-175.9-64.5-173166.900113.1P451 G469P451-E471 WeakPolarHBondContact CA-O 3.38Å; G469-E471 PolarHBondContact O-N 3.1Å; G469-E471 VanDerWaalsContact O-N 3.1Å
472R70.1Confident89.1Confident169 Ų16922.5 Ų22.564%0.63811%0.112SC*.SBendtrans-121.492.3-177.3-62.6-176-172.4-174.31.6110C470C470-R472 VanDerWaalsContact C-N 3.27Å; C470-R472 PolarHBondContact O-N 3.45Å; C470-R472 PolarHBondContact SG-O 3.46Å
473Y73.3Confident89.5Confident7 Ų721.7 Ų21.73%0.02711%0.108CC..  trans-100.3160.4170.952.6-105.5000111.6M417 R419 Y452 T453 V466 L477M417-Y473 HydrophobicContact SD-CD2 4.46Å; R419-Y473 PolarHBondContact NH1-OH 3.36Å; Y452-Y473 WeakPolarHBondContact CB-OH 3.47Å; Y452-Y473 HydrophobicContact CD1-CE2 4.34Å; Y452-Y473 HydrophobicContact CD2-CD2 4.14Å; Y452-Y473 HydrophobicContact CD2-CE1 4.39Å; Y452-Y473 AromaticContact CD2-CE2 3.82Å; Y452-Y473 HydrophobicContact CD2-CE2 3.82Å; Y452-Y473 HydrophobicContact CG-CE1 4.28Å; Y452-Y473 AromaticContact CG-CE2 3.77Å; Y452-Y473 HydrophobicContact CG-CE2 3.77Å; Y452-Y473 AromaticContact CG-CZ 3.67Å; T453-Y473 PolarHBondContact O-OH 3.45Å; T453-Y473 VanDerWaalsContact O-OH 3.1Å; V466-Y473 HydrophobicContact CG2-CD1 4.06Å; V466-Y473 HydrophobicContact CG2-CE1 4.33Å; V466-Y473 HydrophobicContact CG2-CG 4.3Å; Y473-L477 HydrophobicContact CD2-CD2 3.28Å; Y473-L477 HydrophobicContact CE2-CD2 3.62Å; Y473-L477 HydrophobicContact CG-CD2 4.16Å
474S78.1Confident89.6Confident46 Ų4621.7 Ų21.732%0.32211%0.108SC..  trans-129.5-166.2-174.276.50000111.5M417 G476 L477M417-S474 VanDerWaalsContact SD-C 3.54Å; S474-G476 PolarHBondContact O-N 2.94Å; S474-L477 WeakPolarHBondContact O-CD2 3.49Å; S474-L477 PolarHBondContact O-N 2.85Å
475L89Confident89.8Confident51 Ų5121.7 Ų21.727%0.26711%0.108SC..THydrogen-bonded Turntrans-51.6-25.3178.4-59.2179.9000114.6H412 M417 F445 L477 D478H412-L475 HydrophobicContact CB-CD1 4.04Å; H412-L475 HydrophobicContact CB-CD2 4.12Å; H412-L475 PolarHBondContact CE1-O 2.92Å; H412-L475 VanDerWaalsContact CE1-O 3.23Å; M417-L475 HydrophobicContact CG-CD2 3.75Å; F445-L475 HydrophobicContact CE1-CD2 3.43Å; F445-L475 VanDerWaalsContact CE1-CD2 3.43Å; F445-L475 HydrophobicContact CE1-CG 4.22Å; F445-L475 HydrophobicContact CZ-CD1 4.4Å; F445-L475 HydrophobicContact CZ-CD2 3.83Å; F445-L475 HydrophobicContact CZ-CG 4.17Å; L475-L477 PolarHBondContact O-N 3.14Å; L475-L477 VanDerWaalsContact O-N 3.17Å; L475-D478 PolarHBondContact O-N 2.99Å
476G92.6Very high90Very high8 Ų821.6 Ų21.68%0.08211%0.108CC..Hα-helixtrans-59.4-26.2-178.200000113.9S474 D478 I479 W480 R567S474-G476 PolarHBondContact O-N 2.94Å; G476-D478 VanDerWaalsContact C-N 3.32Å; G476-D478 PolarHBondContact O-N 3.45Å; G476-I479 PolarHBondContact O-N 3.48Å; G476-W480 PolarHBondContact O-N 3.22Å; G476-R567 WeakPolarHBondContact O-CD 3.29Å; G476-R567 PolarHBondContact O-NH1 3.2Å
477L93Very high90.4Very high4 Ų421.2 Ų21.22%0.02111%0.106CC..Hα-helixtrans-63.1-39.4-179.578.794.2000111.8M417 R419 Y473 S474 L475 I479 W480 S481M417-L477 HydrophobicContact SD-CD2 3.93Å; R419-L477 HydrophobicContact CB-CD1 4.23Å; R419-L477 HydrophobicContact CG-CD1 4.1Å; R419-L477 HydrophobicContact CG-CD2 4.23Å; Y473-L477 HydrophobicContact CD2-CD2 3.28Å; Y473-L477 HydrophobicContact CE2-CD2 3.62Å; Y473-L477 HydrophobicContact CG-CD2 4.16Å; S474-L477 WeakPolarHBondContact O-CD2 3.49Å; S474-L477 PolarHBondContact O-N 2.85Å; L475-L477 PolarHBondContact O-N 3.14Å; L475-L477 VanDerWaalsContact O-N 3.17Å; L477-I479 VanDerWaalsContact C-N 3.3Å; L477-I479 PolarHBondContact O-N 2.88Å; L477-W480 WeakPolarHBondContact O-CB 3.39Å; L477-W480 PolarHBondContact O-N 3.3Å; L477-S481 PolarHBondContact O-N 3.34Å; L477-S481 VanDerWaalsContact O-N 3.1Å; L477-S481 PolarHBondContact O-OG 2.68Å
478D94.3Very high90.7Very high0 Ų021.1 Ų21.10%011%0.105CC..Hα-helixtrans-68.3-35.9179.8-70.5-35.1000109.8M408 H412 M417 H418 R419 L421 L475 G476 W480 S481 I482M408-D478 HydrophobicContact CG-CB 4.16Å; M408-D478 HydrophobicContact SD-CB 3.66Å; H412-D478 IonicContact CD2-OD2 3.47Å; H412-D478 IonicContact CE1-OD2 2.69Å; H412-D478 IonicContact NE2-OD2 2.69Å; H412-D478 PolarHBondContact NE2-OD2 2.84Å; M417-D478 WeakPolarHBondContact CA-OD2 3.5Å; H418-D478 PolarHBondContact N-OD1 3.37Å; H418-D478 PolarHBondContact N-OD2 2.8Å; R419-D478 PolarHBondContact N-OD1 2.78Å; L421-D478 HydrophobicContact CD1-CB 3.87Å; L475-D478 PolarHBondContact O-N 2.99Å; G476-D478 VanDerWaalsContact C-N 3.32Å; G476-D478 PolarHBondContact O-N 3.45Å; D478-W480 VanDerWaalsContact C-N 3.34Å; D478-S481 PolarHBondContact O-N 3.13Å; D478-I482 VanDerWaalsContact O-CG1 3.27Å; D478-I482 WeakPolarHBondContact O-CG1 3.48Å; D478-I482 PolarHBondContact O-N 3.4Å
479I98.1Very high90.9Very high3 Ų321.2 Ų21.22%0.01511%0.105CC..Hα-helixtrans-65-40175.9-52.9-58.6000111.3G476 L477 S481 I482 G483 M559 R567 I568 A570G476-I479 PolarHBondContact O-N 3.48Å; L477-I479 VanDerWaalsContact C-N 3.3Å; L477-I479 PolarHBondContact O-N 2.88Å; I479-S481 VanDerWaalsContact C-N 3.34Å; I479-I482 PolarHBondContact O-N 2.85Å; I479-G483 PolarHBondContact O-N 2.86Å; I479-M559 HydrophobicContact CG2-CB 4.08Å; I479-M559 HydrophobicContact CG2-CG 3.94Å; I479-R567 HydrophobicContact CB-CG 4.35Å; I479-R567 HydrophobicContact CG2-CG 4.12Å; I479-I568 WeakPolarHBondContact CG1-O 3.43Å; I479-I568 HydrophobicContact CG2-CG2 4.01Å; I479-I568 WeakPolarHBondContact CG2-O 3.49Å; I479-A570 HydrophobicContact CD1-CB 3.77Å
480W97.7Very high91.3Very high0 Ų021.3 Ų21.30%010%0.104CC..Hα-helixtrans-59.3-48.2174178.1-82.2000110.9R462 S463 P464 G476 L477 D478 I482 G483 C484 F496 I508 L512 L560R462-W480 PolarHBondContact O-NE1 3.22Å; R462-W480 VanDerWaalsContact O-NE1 3.14Å; S463-W480 VanDerWaalsContact CA-CD1 3.45Å; P464-W480 HydrophobicContact CG-CE3 4.17Å; P464-W480 HydrophobicContact CG-CH2 3.9Å; P464-W480 HydrophobicContact CG-CZ2 4.33Å; P464-W480 HydrophobicContact CG-CZ3 3.8Å; G476-W480 PolarHBondContact O-N 3.22Å; L477-W480 WeakPolarHBondContact O-CB 3.39Å; L477-W480 PolarHBondContact O-N 3.3Å; D478-W480 VanDerWaalsContact C-N 3.34Å; W480-I482 VanDerWaalsContact C-N 3.3Å; W480-I482 PolarHBondContact O-N 2.93Å; W480-G483 WeakPolarHBondContact O-CA 3.49Å; W480-G483 PolarHBondContact O-N 2.96Å; W480-C484 PolarHBondContact O-N 2.8Å; W480-F496 HydrophobicContact CZ2-CD2 4.38Å; W480-F496 AromaticContact CZ2-CE2 3.75Å; W480-F496 HydrophobicContact CZ2-CE2 3.75Å; W480-F496 HydrophobicContact CZ2-CZ 4.38Å; W480-I508 HydrophobicContact CH2-CG2 3.69Å; W480-I508 HydrophobicContact CZ2-CD1 3.84Å; W480-I508 HydrophobicContact CZ2-CG1 4.02Å; W480-I508 HydrophobicContact CZ2-CG2 3.84Å; W480-L512 HydrophobicContact CH2-CD1 3.62Å; W480-L512 HydrophobicContact CZ3-CD1 4.22Å; W480-L560 HydrophobicContact CD2-CD2 3.9Å; W480-L560 HydrophobicContact CE3-CB 4.49Å; W480-L560 HydrophobicContact CE3-CD2 3.97Å; W480-L560 HydrophobicContact CG-CD2 4.44Å; W480-L560 HydrophobicContact CH2-CD2 4.36Å; W480-L560 HydrophobicContact CZ2-CD2 4.28Å; W480-L560 HydrophobicContact CZ3-CB 4.16Å; W480-L560 HydrophobicContact CZ3-CD2 4.21Å; W480-L560 WeakPolarHBondContact CZ3-O 3.49Å
481S96.7Very high91.7Very high1 Ų121.7 Ų21.71%0.00711%0.106CC..Hα-helixtrans-59.3-41.2176.9-55.40000111.9Y461 L477 D478 I479 G483 C484 I485Y461-S481 PolarHBondContact O-OG 3.16Å; L477-S481 PolarHBondContact O-N 3.34Å; L477-S481 VanDerWaalsContact O-N 3.1Å; L477-S481 PolarHBondContact O-OG 2.68Å; D478-S481 PolarHBondContact O-N 3.13Å; I479-S481 VanDerWaalsContact C-N 3.34Å; S481-G483 VanDerWaalsContact C-N 3.34Å; S481-G483 PolarHBondContact O-N 3.03Å; S481-C484 WeakPolarHBondContact O-CB 3.28Å; S481-C484 PolarHBondContact O-N 2.96Å; S481-I485 WeakPolarHBondContact O-CD1 3.43Å; S481-I485 VanDerWaalsContact O-CG1 3.25Å; S481-I485 WeakPolarHBondContact O-CG1 3.34Å; S481-I485 PolarHBondContact O-N 3.33Å
482I98.5Very high92.7Very high1 Ų118.3 Ų18.31%0.00510%0.102CC..Hα-helixtrans-62.8-39.6174-66.7167.3000111.2L401 I404 M408 L421 D478 I479 W480 I485 F486 M559L401-I482 HydrophobicContact CD1-CG2 3.73Å; I404-I482 HydrophobicContact CG2-CD1 4Å; I404-I482 HydrophobicContact CG2-CG1 3.85Å; I404-I482 HydrophobicContact CG2-CG2 4.3Å; M408-I482 HydrophobicContact CB-CD1 3.87Å; M408-I482 HydrophobicContact CG-CD1 3.88Å; L421-I482 HydrophobicContact CD1-CD1 3.96Å; L421-I482 HydrophobicContact CD1-CG1 3.69Å; D478-I482 VanDerWaalsContact O-CG1 3.27Å; D478-I482 WeakPolarHBondContact O-CG1 3.48Å; D478-I482 PolarHBondContact O-N 3.4Å; I479-I482 PolarHBondContact O-N 2.85Å; W480-I482 VanDerWaalsContact C-N 3.3Å; W480-I482 PolarHBondContact O-N 2.93Å; I482-I485 PolarHBondContact O-N 3.36Å; I482-F486 WeakPolarHBondContact O-CB 3.29Å; I482-F486 PolarHBondContact O-N 2.77Å; I482-M559 HydrophobicContact CG2-CE 4.17Å; I482-M559 HydrophobicContact CG2-SD 4.38Å
483G98.4Very high93.7Very high0 Ų017.4 Ų17.40%010%0.102CC..Hα-helixtrans-59.9-45.8173.800000112.3I479 W480 S481 I485 F486 A487 L556I479-G483 PolarHBondContact O-N 2.86Å; W480-G483 WeakPolarHBondContact O-CA 3.49Å; W480-G483 PolarHBondContact O-N 2.96Å; S481-G483 VanDerWaalsContact C-N 3.34Å; S481-G483 PolarHBondContact O-N 3.03Å; G483-I485 VanDerWaalsContact C-N 3.34Å; G483-I485 PolarHBondContact O-N 3.2Å; G483-F486 WeakPolarHBondContact O-CB 3.48Å; G483-F486 PolarHBondContact O-N 2.85Å; G483-A487 PolarHBondContact O-N 2.83Å; G483-L556 WeakPolarHBondContact O-CD1 3.49Å
484C98.1Very high94.6Very high2 Ų218.5 Ų18.51%0.01411%0.11CC..Hα-helixtrans-59.8-43.2173.7-67.30000112.1Y461 W480 S481 A487 E488Y461-C484 HydrophobicContact CD1-CB 3.77Å; Y461-C484 HydrophobicContact CE1-CB 4.49Å; W480-C484 PolarHBondContact O-N 2.8Å; S481-C484 WeakPolarHBondContact O-CB 3.28Å; S481-C484 PolarHBondContact O-N 2.96Å; C484-A487 PolarHBondContact O-N 2.82Å; C484-E488 WeakPolarHBondContact O-CB 3.26Å; C484-E488 PolarHBondContact O-N 3.45Å
485I98.1Very high95.5Very high0 Ų017 Ų170%010%0.098CC..Hα-helixtrans-65.4-39.9177.4-66.4162.3000110.9L379 I404 L421 P423 L426 Y461 S481 I482 G483 E488 M489L379-I485 HydrophobicContact CD2-CG2 3.95Å; I404-I485 HydrophobicContact CD1-CG2 4.46Å; L421-I485 HydrophobicContact CB-CD1 4.14Å; P423-I485 HydrophobicContact CG-CG1 4.35Å; L426-I485 HydrophobicContact CD1-CD1 3.83Å; L426-I485 HydrophobicContact CD1-CG2 3.85Å; Y461-I485 HydrophobicContact CD1-CG1 3.91Å; Y461-I485 HydrophobicContact CE1-CG1 3.98Å; S481-I485 WeakPolarHBondContact O-CD1 3.43Å; S481-I485 VanDerWaalsContact O-CG1 3.25Å; S481-I485 WeakPolarHBondContact O-CG1 3.34Å; S481-I485 PolarHBondContact O-N 3.33Å; I482-I485 PolarHBondContact O-N 3.36Å; G483-I485 VanDerWaalsContact C-N 3.34Å; G483-I485 PolarHBondContact O-N 3.2Å; I485-E488 PolarHBondContact O-N 3.21Å; I485-M489 HydrophobicContact CG2-CE 4.27Å; I485-M489 HydrophobicContact CG2-CG 4.42Å; I485-M489 WeakPolarHBondContact O-CG 3.47Å; I485-M489 PolarHBondContact O-N 3.5Å
486F98.5Very high95.8Very high0 Ų014.6 Ų14.60%09%0.086CC..Hα-helixtrans-59.4-49.5175.3178.8-160.1000110.7L397 L401 I482 G483 E488 M489 V490 V548 G552 L555 L556 M559 Y578L397-F486 HydrophobicContact CD2-CD2 3.9Å; L397-F486 HydrophobicContact CD2-CE2 3.64Å; L401-F486 HydrophobicContact CD1-CB 3.82Å; L401-F486 HydrophobicContact CD1-CD1 4.5Å; L401-F486 HydrophobicContact CD1-CG 4.06Å; L401-F486 HydrophobicContact CD2-CB 4.36Å; L401-F486 HydrophobicContact CD2-CD1 3.64Å; L401-F486 HydrophobicContact CD2-CD2 3.79Å; L401-F486 HydrophobicContact CD2-CE1 3.77Å; L401-F486 HydrophobicContact CD2-CE2 3.96Å; L401-F486 HydrophobicContact CD2-CG 3.66Å; L401-F486 HydrophobicContact CD2-CZ 3.95Å; L401-F486 HydrophobicContact CG-CG 4.47Å; I482-F486 WeakPolarHBondContact O-CB 3.29Å; I482-F486 PolarHBondContact O-N 2.77Å; G483-F486 WeakPolarHBondContact O-CB 3.48Å; G483-F486 PolarHBondContact O-N 2.85Å; F486-E488 VanDerWaalsContact C-N 3.31Å; F486-E488 PolarHBondContact O-N 2.96Å; F486-M489 PolarHBondContact O-N 3.28Å; F486-V490 HydrophobicContact CD2-CG2 3.81Å; F486-V490 HydrophobicContact CE2-CG2 3.56Å; F486-V490 HydrophobicContact CZ-CG2 4.5Å; F486-V490 WeakPolarHBondContact O-CG2 3.43Å; F486-V490 PolarHBondContact O-N 2.83Å; F486-V548 HydrophobicContact CE2-CG2 4.33Å; F486-V548 HydrophobicContact CZ-CG2 3.93Å; F486-G552 WeakPolarHBondContact CE1-O 3.46Å; F486-L555 HydrophobicContact CE1-CB 4.46Å; F486-L555 HydrophobicContact CE1-CD2 4.43Å; F486-L555 HydrophobicContact CE1-CG 4.48Å; F486-L556 HydrophobicContact CB-CD1 4.28Å; F486-L556 HydrophobicContact CD1-CB 3.97Å; F486-L556 HydrophobicContact CD1-CD1 3.83Å; F486-L556 HydrophobicContact CD1-CG 4.42Å; F486-L556 HydrophobicContact CE1-CB 3.9Å; F486-L556 HydrophobicContact CG-CD1 4.35Å; F486-M559 HydrophobicContact CD1-SD 4.17Å; F486-Y578 HydrophobicContact CE2-CE1 4.37Å; F486-Y578 HydrophobicContact CZ-CE1 4.02Å; F486-Y578 HydrophobicContact CZ-CE2 4.35Å; F486-Y578 AromaticContact CZ-CZ 3.81Å
487A97.9Very high95.6Very high0 Ų016.5 Ų16.50%010%0.097CC..Hα-helixtrans-61.4-38.4176.200000112.7G483 C484 V490 T491 L495 V545 L556G483-A487 PolarHBondContact O-N 2.83Å; C484-A487 PolarHBondContact O-N 2.82Å; A487-V490 PolarHBondContact O-N 2.89Å; A487-T491 WeakPolarHBondContact O-CB 3.31Å; A487-T491 WeakPolarHBondContact O-CG2 3.37Å; A487-T491 PolarHBondContact O-N 2.93Å; A487-T491 PolarHBondContact O-OG1 3.39Å; A487-L495 HydrophobicContact CB-CB 3.96Å; A487-L495 HydrophobicContact CB-CD1 4.22Å; A487-L495 HydrophobicContact CB-CD2 3.68Å; A487-L495 HydrophobicContact CB-CG 4.16Å; A487-V545 HydrophobicContact CB-CG1 3.91Å; A487-L556 HydrophobicContact CB-CD1 4.3Å; A487-L556 HydrophobicContact CB-CD2 4.1Å
488E96Very high95.1Very high3 Ų316.5 Ų16.51%0.01410%0.098CC..Hα-helixtrans-67.1-39.4176.4-176164.817100112.1R380 M383 Y461 C484 I485 F486 V490 T491 G492 K493R380-E488 IonicContact NH1-OE1 3.45Å; R380-E488 PolarHBondContact NH1-OE1 2.83Å; M383-E488 HydrophobicContact CE-CG 3.91Å; M383-E488 HydrophobicContact SD-CG 4.15Å; Y461-E488 WeakPolarHBondContact CE1-OE2 3.26Å; Y461-E488 PolarHBondContact OH-OE2 2.89Å; C484-E488 WeakPolarHBondContact O-CB 3.26Å; C484-E488 PolarHBondContact O-N 3.45Å; I485-E488 PolarHBondContact O-N 3.21Å; F486-E488 VanDerWaalsContact C-N 3.31Å; F486-E488 PolarHBondContact O-N 2.96Å; E488-V490 VanDerWaalsContact C-N 3.29Å; E488-V490 PolarHBondContact O-N 2.91Å; E488-T491 PolarHBondContact O-N 3.08Å; E488-G492 VanDerWaalsContact O-CA 3.25Å; E488-G492 WeakPolarHBondContact O-CA 3.43Å; E488-G492 PolarHBondContact O-N 3.26Å; E488-K493 WeakPolarHBondContact CA-O 3.43Å
489M97Very high94.4Very high1 Ų121.5 Ų21.51%0.00513%0.125CC..Hα-helixtrans-63.2-35.8173.2-72.4-169.1-64.100112.3L379 M383 I392 L397 Y400 L401 I404 I485 F486L379-M489 HydrophobicContact CD1-SD 4.37Å; L379-M489 HydrophobicContact CD2-CG 4.09Å; L379-M489 HydrophobicContact CD2-SD 3.94Å; M383-M489 HydrophobicContact SD-CG 4.2Å; I392-M489 HydrophobicContact CD1-CB 3.93Å; I392-M489 HydrophobicContact CD1-CG 3.78Å; I392-M489 HydrophobicContact CD1-SD 4.25Å; L397-M489 VanDerWaalsContact CD1-C 3.49Å; L397-M489 HydrophobicContact CD1-CB 3.74Å; L397-M489 WeakPolarHBondContact CD1-O 3.29Å; L397-M489 HydrophobicContact CG-CB 3.9Å; L397-M489 HydrophobicContact CG-CE 4.48Å; Y400-M489 HydrophobicContact CD2-SD 4.42Å; L401-M489 HydrophobicContact CB-CE 4.26Å; L401-M489 HydrophobicContact CD1-CE 4.38Å; I404-M489 HydrophobicContact CD1-CE 4.41Å; I485-M489 HydrophobicContact CG2-CE 4.27Å; I485-M489 HydrophobicContact CG2-CG 4.42Å; I485-M489 WeakPolarHBondContact O-CG 3.47Å; I485-M489 PolarHBondContact O-N 3.5Å; F486-M489 PolarHBondContact O-N 3.28Å
490V95.8Very high93.4Very high10 Ų1022 Ų226%0.06113%0.129CC..Hα-helixtrans-70.5-35.8178.9168.10000112L391 L397 F486 A487 E488 V545 T547 V548L391-V490 WeakPolarHBondContact CD1-O 3.23Å; L397-V490 HydrophobicContact CD1-CB 4.46Å; L397-V490 HydrophobicContact CD1-CG2 3.82Å; L397-V490 HydrophobicContact CD2-CG2 4.41Å; F486-V490 HydrophobicContact CD2-CG2 3.81Å; F486-V490 HydrophobicContact CE2-CG2 3.56Å; F486-V490 HydrophobicContact CZ-CG2 4.5Å; F486-V490 WeakPolarHBondContact O-CG2 3.43Å; F486-V490 PolarHBondContact O-N 2.83Å; A487-V490 PolarHBondContact O-N 2.89Å; E488-V490 VanDerWaalsContact C-N 3.29Å; E488-V490 PolarHBondContact O-N 2.91Å; V490-V545 HydrophobicContact CG1-CB 4.34Å; V490-T547 WeakPolarHBondContact CG1-OG1 3.44Å; V490-T547 PolarHBondContact O-OG1 2.9Å; V490-V548 HydrophobicContact CG1-CB 4.12Å; V490-V548 HydrophobicContact CG2-CG2 4.2Å
491T93.5Very high92.7Very high36 Ų3625.3 Ų25.322%0.22114%0.144CC..Hα-helixtrans-111.1-12.7-168.1620000114.1A487 E488 K493 F544 V545A487-T491 WeakPolarHBondContact O-CB 3.31Å; A487-T491 WeakPolarHBondContact O-CG2 3.37Å; A487-T491 PolarHBondContact O-N 2.93Å; A487-T491 PolarHBondContact O-OG1 3.39Å; E488-T491 PolarHBondContact O-N 3.08Å; T491-K493 PolarHBondContact O-N 3.24Å; T491-K493 PolarHBondContact OG1-N 3.45Å; T491-K493 PolarHBondContact OG1-O 2.91Å; T491-F544 WeakPolarHBondContact CG2-O 3.3Å; T491-V545 HydrophobicContact CG2-CG1 4.02Å
492G91.5Very high92.2Very high42 Ų4228.3 Ų28.343%0.43316%0.159SC..SBendtrans69.35.7-170.800000114E488E488-G492 VanDerWaalsContact O-CA 3.25Å; E488-G492 WeakPolarHBondContact O-CA 3.43Å; E488-G492 PolarHBondContact O-N 3.26Å
493K91.1Very high91.6Very high151 Ų15130 Ų3066%0.65717%0.168SC*.SBendtrans-134.9143-174.7-64.7178-174.8170.80111E488 T491 L495E488-K493 WeakPolarHBondContact CA-O 3.43Å; T491-K493 PolarHBondContact O-N 3.24Å; T491-K493 PolarHBondContact OG1-N 3.45Å; T491-K493 PolarHBondContact OG1-O 2.91Å; K493-L495 PolarHBondContact O-N 3.13Å
494P92.4Very high91.2Very high29 Ų2930 Ų3019%0.18817%0.168CC..  trans-58.5134.2175.9-19.828.5000111.4W460 P497W460-P494 HydrophobicContact CD2-CB 4.33Å; W460-P494 HydrophobicContact CE3-CB 3.63Å; W460-P494 HydrophobicContact CE3-CG 3.51Å; W460-P494 HydrophobicContact CH2-CG 4.3Å; W460-P494 HydrophobicContact CZ3-CB 4.02Å; W460-P494 HydrophobicContact CZ3-CG 3.37Å; P494-P497 HydrophobicContact CB-CB 4.29Å
495L96.2Very high91.1Very high14 Ų1430.1 Ų30.17%0.07317%0.169CC..SBendtrans-67.1-39.7-178-176.461.6000112.4A487 K493 L541 F544 L560A487-L495 HydrophobicContact CB-CB 3.96Å; A487-L495 HydrophobicContact CB-CD1 4.22Å; A487-L495 HydrophobicContact CB-CD2 3.68Å; A487-L495 HydrophobicContact CB-CG 4.16Å; K493-L495 PolarHBondContact O-N 3.13Å; L495-L541 HydrophobicContact CD1-CD1 4.24Å; L495-L541 HydrophobicContact CD2-CD1 4.11Å; L495-F544 HydrophobicContact CD1-CB 4.03Å; L495-L560 HydrophobicContact CD2-CD1 3.62Å
496F95.8Very high90.9Very high1 Ų132.6 Ų32.60%0.00418%0.18CC..  trans-129.876.7-176.9-50.5-57.7000111.4W460 W480 G498 Q504 R507 I508 V511 L512 L560W460-F496 WeakPolarHBondContact CA-O 3.08Å; W460-F496 WeakPolarHBondContact CB-O 3.26Å; W480-F496 HydrophobicContact CZ2-CD2 4.38Å; W480-F496 AromaticContact CZ2-CE2 3.75Å; W480-F496 HydrophobicContact CZ2-CE2 3.75Å; W480-F496 HydrophobicContact CZ2-CZ 4.38Å; F496-G498 VanDerWaalsContact C-N 3.33Å; F496-G498 PolarHBondContact O-N 2.66Å; F496-Q504 PolarHBondContact O-NE2 3.26Å; F496-Q504 PolarHBondContact O-OE1 3.21Å; F496-R507 HydrophobicContact CB-CB 4.41Å; F496-I508 HydrophobicContact CB-CG1 4.34Å; F496-I508 HydrophobicContact CD1-CG1 4.03Å; F496-I508 HydrophobicContact CD2-CG1 3.95Å; F496-I508 HydrophobicContact CE1-CG1 4.3Å; F496-I508 HydrophobicContact CE2-CG1 4.21Å; F496-I508 HydrophobicContact CG-CG1 3.85Å; F496-I508 HydrophobicContact CZ-CG1 4.38Å; F496-V511 HydrophobicContact CD1-CG2 4.19Å; F496-V511 HydrophobicContact CE1-CB 3.74Å; F496-V511 HydrophobicContact CE1-CG1 4.04Å; F496-V511 HydrophobicContact CE1-CG2 3.8Å; F496-L512 HydrophobicContact CZ-CD1 4.32Å; F496-L512 HydrophobicContact CZ-CG 4.44Å; F496-L560 HydrophobicContact CE2-CD2 4.43Å; F496-L560 HydrophobicContact CZ-CD1 4.38Å
497P88.7Confident90.8Very high48 Ų4836.3 Ų36.331%0.31219%0.194SC..  trans-83.769.2-175.532.6-34.9000112.5W460 P494 R507W460-P497 HydrophobicContact CD2-CB 4.29Å; W460-P497 HydrophobicContact CZ2-CB 4.12Å; P494-P497 HydrophobicContact CB-CB 4.29Å; P497-R507 VanDerWaalsContact C-CD 3.44Å; P497-R507 WeakPolarHBondContact O-CD 3.3Å; P497-R507 PolarHBondContact O-NE 2.95Å
498G83.6Confident90.7Very high5 Ų536.3 Ų36.35%0.05219%0.194CC..  trans-71.1147.7178.300000114.2L459 W460 F496 D503L459-G498 WeakPolarHBondContact CD2-O 3.39Å; W460-G498 PolarHBondContact NE1-O 3.37Å; F496-G498 VanDerWaalsContact C-N 3.33Å; F496-G498 PolarHBondContact O-N 2.66Å; G498-D503 VanDerWaalsContact CA-OD2 3.3Å; G498-D503 WeakPolarHBondContact CA-OD2 3.39Å
499D79Confident90.8Very high104 Ų10436.1 Ų36.156%0.55619%0.193SC*.SBendtrans-101.3-6.6173.36911.2000114.4D503D499-D503 PolarHBondContact N-OD2 2.86Å; D499-D503 VanDerWaalsContact OD1-CB 3.26Å; D499-D503 WeakPolarHBondContact OD1-CB 3.47Å
500S76.7Confident90.8Very high15 Ų1543 Ų4311%0.10522%0.219CC..SBendtrans-157.5163.9177.358.20000109.9L459 I502 D503 Q504L459-S500 WeakPolarHBondContact CD2-O 3.42Å; S500-I502 VanDerWaalsContact C-N 3.26Å; S500-I502 PolarHBondContact O-N 2.74Å; S500-D503 PolarHBondContact O-N 3.4Å; S500-D503 VanDerWaalsContact OG-CB 3.31Å; S500-D503 WeakPolarHBondContact OG-CB 3.39Å; S500-D503 PolarHBondContact OG-N 3.18Å; S500-Q504 VanDerWaalsContact O-CB 3.31Å; S500-Q504 WeakPolarHBondContact O-CB 3.44Å; S500-Q504 PolarHBondContact O-N 2.69Å
501E82.2Confident90.8Very high69 Ų6942.7 Ų42.732%0.32222%0.217SC..Hα-helixtrans-58.3-38.6-179.3-63.2-171.8164.500113.1L459 R462 L467 Q504 L505L459-E501 HydrophobicContact CD1-CG 4.02Å; R462-E501 IonicContact CZ-OE1 3.16Å; R462-E501 IonicContact NH1-OE1 2.85Å; R462-E501 PolarHBondContact NH1-OE1 2.76Å; L467-E501 HydrophobicContact CD2-CB 3.93Å; L467-E501 HydrophobicContact CD2-CG 4.11Å; E501-Q504 WeakPolarHBondContact O-CB 3.37Å; E501-Q504 PolarHBondContact O-N 3.38Å; E501-L505 PolarHBondContact O-N 3.14Å
502I87.8Confident91Very high64 Ų6441.6 Ų41.633%0.32821%0.21SC..Hα-helixtrans-71-41.7176.6-167.361.3000112.4S500 Q504 L505 F506 F533S500-I502 VanDerWaalsContact C-N 3.26Å; S500-I502 PolarHBondContact O-N 2.74Å; I502-Q504 VanDerWaalsContact C-N 3.29Å; I502-Q504 PolarHBondContact O-N 3.43Å; I502-L505 PolarHBondContact O-N 2.7Å; I502-F506 HydrophobicContact CD1-CD1 4.22Å; I502-F506 HydrophobicContact CD1-CE1 3.53Å; I502-F506 HydrophobicContact CD1-CE2 4.25Å; I502-F506 HydrophobicContact CD1-CZ 3.55Å; I502-F506 HydrophobicContact CG1-CD2 4.32Å; I502-F506 HydrophobicContact CG1-CE1 3.97Å; I502-F506 HydrophobicContact CG1-CE2 3.77Å; I502-F506 HydrophobicContact CG1-CZ 3.58Å; I502-F506 VanDerWaalsContact O-CG 3.29Å; I502-F506 WeakPolarHBondContact O-CG 2.94Å; I502-F506 PolarHBondContact O-N 3.4Å; I502-F533 HydrophobicContact CD1-CD1 4.36Å; I502-F533 HydrophobicContact CD1-CE1 3.64Å; I502-F533 HydrophobicContact CD1-CZ 4.15Å
503D86Confident91.2Very high35 Ų3539.9 Ų39.919%0.18719%0.192CC..Hα-helixtrans-64.5-38175-17652.1000110.8G498 D499 S500 F506 R507G498-D503 VanDerWaalsContact CA-OD2 3.3Å; G498-D503 WeakPolarHBondContact CA-OD2 3.39Å; D499-D503 PolarHBondContact N-OD2 2.86Å; D499-D503 VanDerWaalsContact OD1-CB 3.26Å; D499-D503 WeakPolarHBondContact OD1-CB 3.47Å; S500-D503 PolarHBondContact O-N 3.4Å; S500-D503 VanDerWaalsContact OG-CB 3.31Å; S500-D503 WeakPolarHBondContact OG-CB 3.39Å; S500-D503 PolarHBondContact OG-N 3.18Å; D503-F506 PolarHBondContact O-N 3.29Å; D503-R507 VanDerWaalsContact O-CG 3.3Å; D503-R507 WeakPolarHBondContact O-CG 3.48Å; D503-R507 PolarHBondContact O-N 3.19Å; D503-R507 IonicContact OD1-CZ 3.64Å; D503-R507 IonicContact OD1-NE 3.62Å; D503-R507 IonicContact OD1-NH2 3.66Å; D503-R507 IonicContact OD2-CZ 3.57Å; D503-R507 IonicContact OD2-NE 2.8Å; D503-R507 PolarHBondContact OD2-NE 3.37Å; D503-R507 IonicContact OD2-NH2 3.53Å; D503-R507 PolarHBondContact OD2-NH2 3.19Å
504Q89.5Confident91.5Very high0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-59.4-49.5173.9-173.565.834.300111.2L459 W460 L467 F496 S500 E501 I502 F506 R507 I508L459-Q504 HydrophobicContact CD1-CB 3.79Å; L459-Q504 HydrophobicContact CD1-CG 3.91Å; L459-Q504 HydrophobicContact CD2-CB 4.27Å; L459-Q504 HydrophobicContact CG-CB 3.91Å; L459-Q504 HydrophobicContact CG-CG 3.98Å; L459-Q504 WeakPolarHBondContact O-CG 3.17Å; L459-Q504 PolarHBondContact O-NE2 3.42Å; L459-Q504 PolarHBondContact O-OE1 2.97Å; W460-Q504 PolarHBondContact O-NE2 2.8Å; L467-Q504 HydrophobicContact CD1-CB 4.23Å; L467-Q504 HydrophobicContact CD1-CG 3.6Å; L467-Q504 HydrophobicContact CD2-CB 4.31Å; L467-Q504 HydrophobicContact CD2-CG 4.21Å; F496-Q504 PolarHBondContact O-NE2 3.26Å; F496-Q504 PolarHBondContact O-OE1 3.21Å; S500-Q504 VanDerWaalsContact O-CB 3.31Å; S500-Q504 WeakPolarHBondContact O-CB 3.44Å; S500-Q504 PolarHBondContact O-N 2.69Å; E501-Q504 WeakPolarHBondContact O-CB 3.37Å; E501-Q504 PolarHBondContact O-N 3.38Å; I502-Q504 VanDerWaalsContact C-N 3.29Å; I502-Q504 PolarHBondContact O-N 3.43Å; Q504-F506 VanDerWaalsContact C-N 3.35Å; Q504-F506 PolarHBondContact O-N 2.98Å; Q504-R507 PolarHBondContact O-N 3Å; Q504-I508 HydrophobicContact CG-CD1 4.38Å; Q504-I508 VanDerWaalsContact O-CG1 3.31Å; Q504-I508 WeakPolarHBondContact O-CG1 3.39Å; Q504-I508 PolarHBondContact O-N 3.28Å
505L94.9Very high91.6Very high5 Ų532 Ų323%0.02616%0.156CC..Hα-helixtrans-57.7-46.5174.4-81.7168.9000111.8L467 L468 E501 I502 R507 I508 F509L467-L505 HydrophobicContact CB-CD1 4.09Å; L467-L505 HydrophobicContact CB-CD2 3.7Å; L467-L505 HydrophobicContact CB-CG 3.76Å; L467-L505 HydrophobicContact CD1-CD2 4.07Å; L467-L505 HydrophobicContact CD1-CG 4.1Å; L467-L505 HydrophobicContact CG-CG 4.42Å; L468-L505 HydrophobicContact CD1-CD2 4.49Å; L468-L505 HydrophobicContact CD2-CD1 3.89Å; L468-L505 HydrophobicContact CD2-CD2 4.04Å; L468-L505 HydrophobicContact CG-CD1 4.45Å; L468-L505 HydrophobicContact CG-CD2 3.93Å; E501-L505 PolarHBondContact O-N 3.14Å; I502-L505 PolarHBondContact O-N 2.7Å; L505-R507 VanDerWaalsContact C-N 3.32Å; L505-R507 PolarHBondContact O-N 3.29Å; L505-I508 WeakPolarHBondContact O-CB 3.25Å; L505-I508 PolarHBondContact O-N 2.85Å; L505-I508 VanDerWaalsContact O-N 3.16Å; L505-F509 HydrophobicContact CB-CE2 4.34Å; L505-F509 HydrophobicContact CB-CZ 4.21Å; L505-F509 HydrophobicContact CD2-CE1 4.03Å; L505-F509 HydrophobicContact CD2-CZ 3.88Å; L505-F509 VanDerWaalsContact O-CD1 3.31Å; L505-F509 WeakPolarHBondContact O-CD1 2.96Å; L505-F509 WeakPolarHBondContact O-CG 3.49Å; L505-F509 PolarHBondContact O-N 3.33Å
506F94.8Very high91.3Very high52 Ų5234.6 Ų34.623%0.22817%0.172CC..Hα-helixtrans-65.6-34.1-179.4-68.6-7.9000112.8I502 D503 Q504 F509 R510 F533 P534 W536I502-F506 HydrophobicContact CD1-CD1 4.22Å; I502-F506 HydrophobicContact CD1-CE1 3.53Å; I502-F506 HydrophobicContact CD1-CE2 4.25Å; I502-F506 HydrophobicContact CD1-CZ 3.55Å; I502-F506 HydrophobicContact CG1-CD2 4.32Å; I502-F506 HydrophobicContact CG1-CE1 3.97Å; I502-F506 HydrophobicContact CG1-CE2 3.77Å; I502-F506 HydrophobicContact CG1-CZ 3.58Å; I502-F506 VanDerWaalsContact O-CG 3.29Å; I502-F506 WeakPolarHBondContact O-CG 2.94Å; I502-F506 PolarHBondContact O-N 3.4Å; D503-F506 PolarHBondContact O-N 3.29Å; Q504-F506 VanDerWaalsContact C-N 3.35Å; Q504-F506 PolarHBondContact O-N 2.98Å; F506-F509 HydrophobicContact CD1-CD2 4.13Å; F506-F509 HydrophobicContact CD1-CE2 4.39Å; F506-F509 PolarHBondContact O-N 3.36Å; F506-R510 WeakPolarHBondContact O-CB 3.27Å; F506-R510 VanDerWaalsContact O-CG 3.27Å; F506-R510 WeakPolarHBondContact O-CG 3.27Å; F506-R510 PolarHBondContact O-N 3.35Å; F506-F533 AromaticContact CE1-CD1 3.83Å; F506-F533 HydrophobicContact CE1-CD1 3.83Å; F506-F533 HydrophobicContact CE1-CE1 4.3Å; F506-F533 HydrophobicContact CE1-CG 4.32Å; F506-F533 HydrophobicContact CZ-CD1 4.27Å; F506-P534 HydrophobicContact CE1-CG 4.3Å; F506-P534 HydrophobicContact CE2-CG 4.44Å; F506-P534 HydrophobicContact CZ-CG 4.17Å; F506-W536 HydrophobicContact CB-CH2 3.89Å; F506-W536 HydrophobicContact CB-CZ3 4.06Å; F506-W536 HydrophobicContact CD1-CH2 4.33Å; F506-W536 HydrophobicContact CD1-CZ3 4.03Å; F506-W536 HydrophobicContact CD2-CH2 4.42Å; F506-W536 AromaticContact CG-CH2 3.97Å; F506-W536 HydrophobicContact CG-CH2 3.97Å; F506-W536 HydrophobicContact CG-CZ3 4.1Å
507R95.6Very high91.1Very high78 Ų7840.4 Ų40.429%0.29420%0.198SC..Hα-helixtrans-65.7-41.6171.9-73174.9-168-86.90.1111.9F496 P497 D503 Q504 L505 R510 V511F496-R507 HydrophobicContact CB-CB 4.41Å; P497-R507 VanDerWaalsContact C-CD 3.44Å; P497-R507 WeakPolarHBondContact O-CD 3.3Å; P497-R507 PolarHBondContact O-NE 2.95Å; D503-R507 VanDerWaalsContact O-CG 3.3Å; D503-R507 WeakPolarHBondContact O-CG 3.48Å; D503-R507 PolarHBondContact O-N 3.19Å; D503-R507 IonicContact OD1-CZ 3.64Å; D503-R507 IonicContact OD1-NE 3.62Å; D503-R507 IonicContact OD1-NH2 3.66Å; D503-R507 IonicContact OD2-CZ 3.57Å; D503-R507 IonicContact OD2-NE 2.8Å; D503-R507 PolarHBondContact OD2-NE 3.37Å; D503-R507 IonicContact OD2-NH2 3.53Å; D503-R507 PolarHBondContact OD2-NH2 3.19Å; Q504-R507 PolarHBondContact O-N 3Å; L505-R507 VanDerWaalsContact C-N 3.32Å; L505-R507 PolarHBondContact O-N 3.29Å; R507-R510 PolarHBondContact O-N 2.74Å; R507-V511 WeakPolarHBondContact O-CG2 3.38Å; R507-V511 PolarHBondContact O-N 3.32Å
508I97.7Very high91.2Very high0 Ų042.3 Ų42.30%022%0.217CC..Hα-helixtrans-60.1-49.1174.4-64.6166.6000109.6L467 W480 F496 Q504 L505 R510 V511 L512 Y562L467-I508 HydrophobicContact CD1-CD1 3.71Å; W480-I508 HydrophobicContact CH2-CG2 3.69Å; W480-I508 HydrophobicContact CZ2-CD1 3.84Å; W480-I508 HydrophobicContact CZ2-CG1 4.02Å; W480-I508 HydrophobicContact CZ2-CG2 3.84Å; F496-I508 HydrophobicContact CB-CG1 4.34Å; F496-I508 HydrophobicContact CD1-CG1 4.03Å; F496-I508 HydrophobicContact CD2-CG1 3.95Å; F496-I508 HydrophobicContact CE1-CG1 4.3Å; F496-I508 HydrophobicContact CE2-CG1 4.21Å; F496-I508 HydrophobicContact CG-CG1 3.85Å; F496-I508 HydrophobicContact CZ-CG1 4.38Å; Q504-I508 HydrophobicContact CG-CD1 4.38Å; Q504-I508 VanDerWaalsContact O-CG1 3.31Å; Q504-I508 WeakPolarHBondContact O-CG1 3.39Å; Q504-I508 PolarHBondContact O-N 3.28Å; L505-I508 WeakPolarHBondContact O-CB 3.25Å; L505-I508 PolarHBondContact O-N 2.85Å; L505-I508 VanDerWaalsContact O-N 3.16Å; I508-R510 VanDerWaalsContact C-N 3.33Å; I508-R510 PolarHBondContact O-N 3.48Å; I508-V511 PolarHBondContact O-N 2.98Å; I508-L512 HydrophobicContact CG2-CD1 3.97Å; I508-L512 PolarHBondContact O-N 2.9Å; I508-Y562 HydrophobicContact CG2-CE1 3.83Å
509F96.9Very high91.7Very high0 Ų046.7 Ų46.70%024%0.237CC..Hα-helixtrans-64.4-35.3-179.1-59.3-12.5000112.9L505 F506 V511 G513 T514 P515 F533 W536 Y562L505-F509 HydrophobicContact CB-CE2 4.34Å; L505-F509 HydrophobicContact CB-CZ 4.21Å; L505-F509 HydrophobicContact CD2-CE1 4.03Å; L505-F509 HydrophobicContact CD2-CZ 3.88Å; L505-F509 VanDerWaalsContact O-CD1 3.31Å; L505-F509 WeakPolarHBondContact O-CD1 2.96Å; L505-F509 WeakPolarHBondContact O-CG 3.49Å; L505-F509 PolarHBondContact O-N 3.33Å; F506-F509 HydrophobicContact CD1-CD2 4.13Å; F506-F509 HydrophobicContact CD1-CE2 4.39Å; F506-F509 PolarHBondContact O-N 3.36Å; F509-V511 VanDerWaalsContact C-N 3.28Å; F509-V511 PolarHBondContact O-N 2.81Å; F509-G513 CarbonylContact O-C 3.52Å; F509-G513 VanDerWaalsContact O-C 3.25Å; F509-G513 WeakPolarHBondContact O-CA 3.45Å; F509-G513 PolarHBondContact O-N 2.74Å; F509-T514 HydrophobicContact CD2-CG2 4.19Å; F509-T514 HydrophobicContact CE2-CG2 4.42Å; F509-T514 HydrophobicContact CG-CG2 4.49Å; F509-P515 VanDerWaalsContact CE1-CD 3.48Å; F509-P515 HydrophobicContact CE1-CG 3.97Å; F509-P515 HydrophobicContact CZ-CG 4.41Å; F509-F533 HydrophobicContact CE2-CB 4.35Å; F509-F533 AromaticContact CE2-CD2 3.86Å; F509-F533 HydrophobicContact CE2-CD2 3.86Å; F509-F533 HydrophobicContact CE2-CE2 4.4Å; F509-F533 HydrophobicContact CE2-CG 4.26Å; F509-F533 HydrophobicContact CZ-CD2 4.35Å; F509-W536 HydrophobicContact CB-CD2 4.46Å; F509-W536 HydrophobicContact CB-CE3 3.51Å; F509-W536 HydrophobicContact CB-CZ3 3.95Å; F509-W536 HydrophobicContact CD2-CE3 4.41Å; F509-W536 HydrophobicContact CD2-CZ3 4.27Å; F509-W536 HydrophobicContact CG-CE3 4.5Å; F509-W536 WeakPolarHBondContact O-CB 3.38Å; F509-Y562 HydrophobicContact CD1-CE1 4.25Å; F509-Y562 WeakPolarHBondContact CD1-OH 3.47Å; F509-Y562 HydrophobicContact CE1-CE1 4.19Å
510R96.3Very high92.4Very high144 Ų14442.4 Ų42.454%0.54321%0.213SC..Hα-helixtrans-62.4-34.7175.3-82.4175.6179.9-161.80.7113.2F506 R507 I508 W536F506-R510 WeakPolarHBondContact O-CB 3.27Å; F506-R510 VanDerWaalsContact O-CG 3.27Å; F506-R510 WeakPolarHBondContact O-CG 3.27Å; F506-R510 PolarHBondContact O-N 3.35Å; R507-R510 PolarHBondContact O-N 2.74Å; I508-R510 VanDerWaalsContact C-N 3.33Å; I508-R510 PolarHBondContact O-N 3.48Å; R510-W536 HydrophobicContact CG-CD2 3.75Å; R510-W536 HydrophobicContact CG-CE3 4.35Å; R510-W536 HydrophobicContact CG-CG 4.12Å; R510-W536 HydrophobicContact CG-CH2 4.24Å; R510-W536 HydrophobicContact CG-CZ2 3.68Å
511V97Very high93.1Very high4 Ų448.9 Ų48.92%0.02424%0.239CC..Hα-helixtrans-89-41.1-177.1177.70000111.3F496 R507 I508 F509 H540 L541 F544F496-V511 HydrophobicContact CD1-CG2 4.19Å; F496-V511 HydrophobicContact CE1-CB 3.74Å; F496-V511 HydrophobicContact CE1-CG1 4.04Å; F496-V511 HydrophobicContact CE1-CG2 3.8Å; R507-V511 WeakPolarHBondContact O-CG2 3.38Å; R507-V511 PolarHBondContact O-N 3.32Å; I508-V511 PolarHBondContact O-N 2.98Å; F509-V511 VanDerWaalsContact C-N 3.28Å; F509-V511 PolarHBondContact O-N 2.81Å; V511-H540 CarbonylContact O-C 3.3Å; V511-H540 WeakPolarHBondContact O-CA 3.41Å; V511-H540 PolarHBondContact O-N 3.09Å; V511-L541 HydrophobicContact CG1-CB 4.26Å; V511-L541 HydrophobicContact CG1-CD1 3.91Å; V511-L541 PolarHBondContact O-N 2.8Å; V511-F544 HydrophobicContact CB-CE2 4.41Å; V511-F544 HydrophobicContact CG1-CD2 3.94Å; V511-F544 HydrophobicContact CG1-CE2 4.33Å; V511-F544 HydrophobicContact CG1-CG 4.35Å; V511-F544 HydrophobicContact CG2-CD1 4.35Å; V511-F544 HydrophobicContact CG2-CD2 4.09Å; V511-F544 HydrophobicContact CG2-CE1 4.07Å; V511-F544 HydrophobicContact CG2-CE2 3.81Å; V511-F544 HydrophobicContact CG2-CG 4.36Å; V511-F544 HydrophobicContact CG2-CZ 3.8Å
512L97Very high93.5Very high14 Ų1450 Ų507%0.07325%0.247CC..Hα-helixtrans-103.1-6.5-172.4-57.2-179.7000113.9W480 F496 I508 G538 L541 L560 Y562W480-L512 HydrophobicContact CH2-CD1 3.62Å; W480-L512 HydrophobicContact CZ3-CD1 4.22Å; F496-L512 HydrophobicContact CZ-CD1 4.32Å; F496-L512 HydrophobicContact CZ-CG 4.44Å; I508-L512 HydrophobicContact CG2-CD1 3.97Å; I508-L512 PolarHBondContact O-N 2.9Å; L512-G538 CarbonylContact C-O 3.59Å; L512-L541 HydrophobicContact CD2-CB 4.1Å; L512-L541 HydrophobicContact CD2-CD1 4.37Å; L512-L541 HydrophobicContact CD2-CD2 4.21Å; L512-L541 HydrophobicContact CD2-CG 4.47Å; L512-L560 HydrophobicContact CD1-CB 4.2Å; L512-Y562 HydrophobicContact CB-CE2 3.82Å; L512-Y562 WeakPolarHBondContact CB-OH 3.45Å; L512-Y562 HydrophobicContact CD1-CE2 4.46Å
513G96.5Very high93.7Very high6 Ų647 Ų476%0.06223%0.232CC..  trans84.8150.7-168.600000111.5F509 W536 G538 Y562F509-G513 CarbonylContact O-C 3.52Å; F509-G513 VanDerWaalsContact O-C 3.25Å; F509-G513 WeakPolarHBondContact O-CA 3.45Å; F509-G513 PolarHBondContact O-N 2.74Å; G513-W536 WeakPolarHBondContact CA-O 3.46Å; G513-G538 VanDerWaalsContact CA-O 3.25Å; G513-G538 WeakPolarHBondContact CA-O 3.46Å; G513-G538 PolarHBondContact N-O 3.43Å; G513-G538 VanDerWaalsContact N-O 3.15Å; G513-Y562 WeakPolarHBondContact O-CE2 3.26Å; G513-Y562 PolarHBondContact O-OH 3.3Å
514T96Very high94.1Very high11 Ų1150 Ų507%0.06725%0.245CC..  trans-68.2127175.7-570000109.3F509 T516 P534 K535 W536F509-T514 HydrophobicContact CD2-CG2 4.19Å; F509-T514 HydrophobicContact CE2-CG2 4.42Å; F509-T514 HydrophobicContact CG-CG2 4.49Å; T514-T516 PolarHBondContact O-N 3.37Å; T514-P534 PolarHBondContact OG1-O 3.05Å; T514-K535 HydrophobicContact CG2-CD 4.18Å; T514-W536 PolarHBondContact N-O 3.39Å; T514-W536 PolarHBondContact OG1-N 2.88Å
515P94.7Very high94.2Very high2 Ų254.4 Ų54.41%0.01328%0.275CS..  trans-63.1133.9-174.524.9-34000111.3F509 V523 Y562F509-P515 VanDerWaalsContact CE1-CD 3.48Å; F509-P515 HydrophobicContact CE1-CG 3.97Å; F509-P515 HydrophobicContact CZ-CG 4.41Å; P515-V523 HydrophobicContact CB-CG2 4.3Å; P515-V523 HydrophobicContact CG-CG2 3.99Å; P515-Y562 HydrophobicContact CB-CD1 4.07Å; P515-Y562 HydrophobicContact CB-CD2 3.92Å; P515-Y562 HydrophobicContact CB-CE1 4.27Å; P515-Y562 HydrophobicContact CB-CE2 4.11Å; P515-Y562 HydrophobicContact CB-CG 3.91Å; P515-Y562 HydrophobicContact CG-CD1 4.17Å; P515-Y562 HydrophobicContact CG-CE1 4.05Å
516T91.4Very high94Very high69 Ų6955 Ų5542%0.42328%0.278SS..  trans-106176.2170.282.30000110.2T514 A518 E519 W520T514-T516 PolarHBondContact O-N 3.37Å; T516-A518 PolarHBondContact O-N 3.4Å; T516-A518 VanDerWaalsContact O-N 3.12Å; T516-A518 WeakPolarHBondContact OG1-CB 3.46Å; T516-A518 PolarHBondContact OG1-N 2.61Å; T516-A518 VanDerWaalsContact OG1-N 3.12Å; T516-E519 WeakPolarHBondContact CA-OE2 3.35Å; T516-E519 VanDerWaalsContact CB-OE2 3.22Å; T516-E519 WeakPolarHBondContact CB-OE2 3.5Å; T516-E519 PolarHBondContact N-OE2 3.24Å; T516-E519 PolarHBondContact O-N 2.94Å; T516-E519 VanDerWaalsContact O-N 3.13Å; T516-E519 PolarHBondContact OG1-OE2 2.91Å; T516-W520 PolarHBondContact O-N 3.13Å
517K91Very high93.8Very high124 Ų12455.8 Ų55.854%0.53929%0.289SS..THydrogen-bonded Turntrans-58.7-20.8172.8-65.8-174.1-177.9176.50113.4K521 E524K517-K521 WeakPolarHBondContact O-CA 3.46Å; K517-K521 PolarHBondContact O-N 3.09Å; K517-E524 WeakPolarHBondContact CE-OE1 3.46Å; K517-E524 WeakPolarHBondContact CE-OE2 2.95Å; K517-E524 IonicContact NZ-OE2 3.65Å; K517-E524 PolarHBondContact NZ-OE2 2.89Å
518A91.5Very high93.6Very high87 Ų8754.6 Ų54.672%0.71929%0.286SS*.THydrogen-bonded Turntrans-73.6-41.2175.800000111.8T516T516-A518 PolarHBondContact O-N 3.4Å; T516-A518 VanDerWaalsContact O-N 3.12Å; T516-A518 WeakPolarHBondContact OG1-CB 3.46Å; T516-A518 PolarHBondContact OG1-N 2.61Å; T516-A518 VanDerWaalsContact OG1-N 3.12Å
519E92.2Very high93.4Very high98 Ų9855.8 Ų55.846%0.45829%0.291SS..THydrogen-bonded Turntrans-82-31.2178.9-65.573.8-14700112.8T516 Y562T516-E519 WeakPolarHBondContact CA-OE2 3.35Å; T516-E519 VanDerWaalsContact CB-OE2 3.22Å; T516-E519 WeakPolarHBondContact CB-OE2 3.5Å; T516-E519 PolarHBondContact N-OE2 3.24Å; T516-E519 PolarHBondContact O-N 2.94Å; T516-E519 VanDerWaalsContact O-N 3.13Å; T516-E519 PolarHBondContact OG1-OE2 2.91Å; E519-Y562 HydrophobicContact CB-CD2 4.32Å
520W93.8Very high93.2Very high13 Ų1359.8 Ų59.85%0.04931%0.309CS..  trans-152.9100.3178.5-174.92.7000110.6P464 E465 L468 T516 D522 V523 L526 D563 P564P464-W520 HydrophobicContact CB-CZ3 4.33Å; P464-W520 HydrophobicContact CG-CZ3 4.49Å; E465-W520 HydrophobicContact CB-CH2 3.55Å; E465-W520 HydrophobicContact CB-CZ2 4.11Å; L468-W520 HydrophobicContact CD1-CH2 4.37Å; L468-W520 HydrophobicContact CD1-CZ3 3.86Å; T516-W520 PolarHBondContact O-N 3.13Å; W520-D522 VanDerWaalsContact C-N 3.25Å; W520-D522 PolarHBondContact O-N 3.27Å; W520-D522 VanDerWaalsContact O-N 3.12Å; W520-V523 HydrophobicContact CB-CB 3.92Å; W520-V523 HydrophobicContact CB-CG1 4.48Å; W520-V523 HydrophobicContact CD2-CB 3.77Å; W520-V523 HydrophobicContact CD2-CG2 3.92Å; W520-V523 HydrophobicContact CE3-CB 3.97Å; W520-V523 HydrophobicContact CE3-CG2 3.57Å; W520-V523 HydrophobicContact CG-CB 3.74Å; W520-V523 HydrophobicContact CG-CG2 4.36Å; W520-V523 HydrophobicContact CZ3-CG2 4.1Å; W520-V523 WeakPolarHBondContact O-CB 3.31Å; W520-V523 VanDerWaalsContact O-CG1 3.31Å; W520-V523 WeakPolarHBondContact O-CG1 2.95Å; W520-V523 PolarHBondContact O-N 3.44Å; W520-V523 VanDerWaalsContact O-N 3.15Å; W520-L526 HydrophobicContact CH2-CD1 3.32Å; W520-L526 HydrophobicContact CZ2-CD1 3.45Å; W520-L526 VanDerWaalsContact CZ2-CD1 3.45Å; W520-L526 HydrophobicContact CZ2-CD2 4.39Å; W520-L526 HydrophobicContact CZ2-CG 4.42Å; W520-L526 HydrophobicContact CZ3-CD1 3.91Å; W520-D563 HydrophobicContact CB-CB 4.12Å; W520-D563 HydrophobicContact CG-CB 3.96Å; W520-P564 HydrophobicContact CZ2-CG 4.48Å
521K91.7Very high92.8Very high152 Ų15256.9 Ų56.966%0.66132%0.315SS*.THydrogen-bonded Turntrans-49.4-43.9-170.9-172.5-177.2175.2-175.70113.9K517K517-K521 WeakPolarHBondContact O-CA 3.46Å; K517-K521 PolarHBondContact O-N 3.09Å
522D91Very high92.6Very high93 Ų9363.3 Ų63.350%0.49735%0.349SS..THydrogen-bonded Turntrans-105.813.4-170.8-53.7-41.2000113W520 E524 S525W520-D522 VanDerWaalsContact C-N 3.25Å; W520-D522 PolarHBondContact O-N 3.27Å; W520-D522 VanDerWaalsContact O-N 3.12Å; D522-E524 PolarHBondContact O-N 2.77Å; D522-S525 WeakPolarHBondContact O-CB 3.42Å; D522-S525 PolarHBondContact O-N 3.23Å; D522-S525 PolarHBondContact O-OG 3.08Å
523V93.2Very high92.4Very high0 Ų063.3 Ų63.30%035%0.349CS..G310 helixtrans-57.8-35.9-175.570.80000113.3L468 P515 W520 S525 L526 Y529L468-V523 HydrophobicContact CD1-CG2 3.91Å; P515-V523 HydrophobicContact CB-CG2 4.3Å; P515-V523 HydrophobicContact CG-CG2 3.99Å; W520-V523 HydrophobicContact CB-CB 3.92Å; W520-V523 HydrophobicContact CB-CG1 4.48Å; W520-V523 HydrophobicContact CD2-CB 3.77Å; W520-V523 HydrophobicContact CD2-CG2 3.92Å; W520-V523 HydrophobicContact CE3-CB 3.97Å; W520-V523 HydrophobicContact CE3-CG2 3.57Å; W520-V523 HydrophobicContact CG-CB 3.74Å; W520-V523 HydrophobicContact CG-CG2 4.36Å; W520-V523 HydrophobicContact CZ3-CG2 4.1Å; W520-V523 WeakPolarHBondContact O-CB 3.31Å; W520-V523 VanDerWaalsContact O-CG1 3.31Å; W520-V523 WeakPolarHBondContact O-CG1 2.95Å; W520-V523 PolarHBondContact O-N 3.44Å; W520-V523 VanDerWaalsContact O-N 3.15Å; V523-S525 PolarHBondContact O-N 2.78Å; V523-L526 HydrophobicContact CG2-CD1 4.17Å; V523-L526 WeakPolarHBondContact O-CB 3.44Å; V523-L526 WeakPolarHBondContact O-CG 3.39Å; V523-L526 PolarHBondContact O-N 3.12Å; V523-Y529 HydrophobicContact CG1-CE2 4.2Å; V523-Y529 HydrophobicContact CG2-CD2 3.82Å; V523-Y529 HydrophobicContact CG2-CE2 3.98Å; V523-Y529 VanDerWaalsContact O-CB 3.32Å; V523-Y529 WeakPolarHBondContact O-CB 3.5Å
524E93Very high92.2Very high98 Ų9865.5 Ų65.546%0.45836%0.362SS..G310 helixtrans-69.8-16179.6-64.6-178.8179.600113.2K517 D522 Y529K517-E524 WeakPolarHBondContact CE-OE1 3.46Å; K517-E524 WeakPolarHBondContact CE-OE2 2.95Å; K517-E524 IonicContact NZ-OE2 3.65Å; K517-E524 PolarHBondContact NZ-OE2 2.89Å; D522-E524 PolarHBondContact O-N 2.77Å; E524-Y529 HydrophobicContact CB-CD1 4.28Å; E524-Y529 HydrophobicContact CB-CE1 4.28Å; E524-Y529 HydrophobicContact CG-CD1 4.28Å; E524-Y529 HydrophobicContact CG-CE1 3.78Å
525S91.7Very high92.1Very high92 Ų9270 Ų7064%0.64338%0.381SS*.G310 helixtrans-87.5-7.8178.574.30000113.5D522 V523D522-S525 WeakPolarHBondContact O-CB 3.42Å; D522-S525 PolarHBondContact O-N 3.23Å; D522-S525 PolarHBondContact O-OG 3.08Å; V523-S525 PolarHBondContact O-N 2.78Å
526L91.8Very high92.1Very high18 Ų1873 Ų739%0.09439%0.392CS..SBendtrans-73142.1-176.8-61.9173.6000111.3L468 C470 W520 V523 E528 Y529L468-L526 HydrophobicContact CB-CB 4.04Å; L468-L526 HydrophobicContact CB-CD1 3.63Å; L468-L526 HydrophobicContact CB-CG 4.48Å; L468-L526 HydrophobicContact CD1-CD1 3.79Å; L468-L526 HydrophobicContact CG-CD1 4.34Å; L468-L526 WeakPolarHBondContact O-CB 3.38Å; C470-L526 HydrophobicContact CB-CD2 3.92Å; W520-L526 HydrophobicContact CH2-CD1 3.32Å; W520-L526 HydrophobicContact CZ2-CD1 3.45Å; W520-L526 VanDerWaalsContact CZ2-CD1 3.45Å; W520-L526 HydrophobicContact CZ2-CD2 4.39Å; W520-L526 HydrophobicContact CZ2-CG 4.42Å; W520-L526 HydrophobicContact CZ3-CD1 3.91Å; V523-L526 HydrophobicContact CG2-CD1 4.17Å; V523-L526 WeakPolarHBondContact O-CB 3.44Å; V523-L526 WeakPolarHBondContact O-CG 3.39Å; V523-L526 PolarHBondContact O-N 3.12Å; L526-E528 VanDerWaalsContact C-N 3.26Å; L526-E528 PolarHBondContact O-N 3.06Å; L526-E528 VanDerWaalsContact O-N 3.12Å; L526-Y529 WeakPolarHBondContact O-CB 3.43Å; L526-Y529 PolarHBondContact O-N 2.87Å
527P90.4Very high92.1Very high68 Ų6877 Ų7744%0.44241%0.405SS..THydrogen-bonded Turntrans-52.9-39.7-172.2-30.838000114.8G469 K530G469-P527 WeakPolarHBondContact O-CD 3.34Å; G469-P527 VanDerWaalsContact O-CG 3.32Å; G469-P527 WeakPolarHBondContact O-CG 3.1Å; P527-K530 PolarHBondContact O-NZ 2.86Å
528E91.1Very high92Very high53 Ų5373.5 Ų73.525%0.24840%0.404CS..THydrogen-bonded Turntrans-99.57.8-177.4-54.8-46.2140.100114.8L468 L526 K530 F533L468-E528 PolarHBondContact O-N 3.22Å; L526-E528 VanDerWaalsContact C-N 3.26Å; L526-E528 PolarHBondContact O-N 3.06Å; L526-E528 VanDerWaalsContact O-N 3.12Å; E528-K530 PolarHBondContact O-N 2.81Å; E528-K530 IonicContact OE2-NZ 3.08Å; E528-K530 PolarHBondContact OE2-NZ 2.96Å; E528-F533 VanDerWaalsContact O-CZ 3.27Å; E528-F533 WeakPolarHBondContact O-CZ 3.41Å
529Y93Very high92Very high25 Ų2572.5 Ų72.510%0.09839%0.386CS..  trans-71.3131.5169.6-170.8-88.1000111.2L468 V523 E524 L526 F533 K535L468-Y529 HydrophobicContact CD2-CD2 4.37Å; V523-Y529 HydrophobicContact CG1-CE2 4.2Å; V523-Y529 HydrophobicContact CG2-CD2 3.82Å; V523-Y529 HydrophobicContact CG2-CE2 3.98Å; V523-Y529 VanDerWaalsContact O-CB 3.32Å; V523-Y529 WeakPolarHBondContact O-CB 3.5Å; E524-Y529 HydrophobicContact CB-CD1 4.28Å; E524-Y529 HydrophobicContact CB-CE1 4.28Å; E524-Y529 HydrophobicContact CG-CD1 4.28Å; E524-Y529 HydrophobicContact CG-CE1 3.78Å; L526-Y529 WeakPolarHBondContact O-CB 3.43Å; L526-Y529 PolarHBondContact O-N 2.87Å; Y529-F533 HydrophobicContact CD2-CD2 4.26Å; Y529-F533 HydrophobicContact CD2-CE2 4.24Å; Y529-F533 HydrophobicContact CE2-CD2 4.3Å; Y529-F533 HydrophobicContact CG-CE2 4.5Å; Y529-K535 PolarHBondContact OH-NZ 3.43Å
530K92.7Very high92.1Very high85 Ų8570.7 Ų70.737%0.3738%0.378SS..  trans-121.9130.8173.8-44.2-62.7173.4-156.30110.2P527 E528 N532 F533P527-K530 PolarHBondContact O-NZ 2.86Å; E528-K530 PolarHBondContact O-N 2.81Å; E528-K530 IonicContact OE2-NZ 3.08Å; E528-K530 PolarHBondContact OE2-NZ 2.96Å; K530-N532 WeakPolarHBondContact CB-OD1 3.38Å; K530-N532 PolarHBondContact O-N 3.15Å; K530-N532 VanDerWaalsContact O-N 3.14Å; K530-F533 HydrophobicContact CB-CD1 3.91Å; K530-F533 HydrophobicContact CB-CE1 3.65Å; K530-F533 HydrophobicContact CB-CE2 4.33Å; K530-F533 HydrophobicContact CB-CG 4.36Å; K530-F533 HydrophobicContact CB-CZ 3.89Å; K530-F533 HydrophobicContact CG-CD1 4.37Å; K530-F533 HydrophobicContact CG-CE1 3.61Å; K530-F533 HydrophobicContact CG-CZ 3.71Å; K530-F533 VanDerWaalsContact N-CE2 3.25Å; K530-F533 WeakPolarHBondContact O-CB 3.43Å; K530-F533 VanDerWaalsContact O-CD2 3.27Å; K530-F533 WeakPolarHBondContact O-CD2 3.18Å; K530-F533 WeakPolarHBondContact O-CG 3.37Å; K530-F533 PolarHBondContact O-N 2.91Å; K530-F533 VanDerWaalsContact O-N 3.07Å
531A89Confident92.2Very high82 Ų8270.1 Ų70.168%0.67838%0.376SS*.THydrogen-bonded Turntrans-59.4-28.9-178.100000113.3F533 K535A531-F533 VanDerWaalsContact C-N 3.3Å; A531-F533 PolarHBondContact O-N 3.25Å; A531-K535 PolarHBondContact O-NZ 2.92Å
532N91.6Very high92.3Very high139 Ų13965.8 Ų65.874%0.74336%0.364SS*.THydrogen-bonded Turntrans-84.88.6-179.969.9-20.4000114.4K530K530-N532 WeakPolarHBondContact CB-OD1 3.38Å; K530-N532 PolarHBondContact O-N 3.15Å; K530-N532 VanDerWaalsContact O-N 3.14Å
533F92.3Very high92.4Very high15 Ų1567.3 Ų67.37%0.06637%0.369CS..SBendtrans-56.7143.5170.5-71.4-26.1000111.1L468 I502 F506 F509 E528 Y529 K530 A531 K535L468-F533 HydrophobicContact CD2-CE2 3.99Å; I502-F533 HydrophobicContact CD1-CD1 4.36Å; I502-F533 HydrophobicContact CD1-CE1 3.64Å; I502-F533 HydrophobicContact CD1-CZ 4.15Å; F506-F533 AromaticContact CE1-CD1 3.83Å; F506-F533 HydrophobicContact CE1-CD1 3.83Å; F506-F533 HydrophobicContact CE1-CE1 4.3Å; F506-F533 HydrophobicContact CE1-CG 4.32Å; F506-F533 HydrophobicContact CZ-CD1 4.27Å; F509-F533 HydrophobicContact CE2-CB 4.35Å; F509-F533 AromaticContact CE2-CD2 3.86Å; F509-F533 HydrophobicContact CE2-CD2 3.86Å; F509-F533 HydrophobicContact CE2-CE2 4.4Å; F509-F533 HydrophobicContact CE2-CG 4.26Å; F509-F533 HydrophobicContact CZ-CD2 4.35Å; E528-F533 VanDerWaalsContact O-CZ 3.27Å; E528-F533 WeakPolarHBondContact O-CZ 3.41Å; Y529-F533 HydrophobicContact CD2-CD2 4.26Å; Y529-F533 HydrophobicContact CD2-CE2 4.24Å; Y529-F533 HydrophobicContact CE2-CD2 4.3Å; Y529-F533 HydrophobicContact CG-CE2 4.5Å; K530-F533 HydrophobicContact CB-CD1 3.91Å; K530-F533 HydrophobicContact CB-CE1 3.65Å; K530-F533 HydrophobicContact CB-CE2 4.33Å; K530-F533 HydrophobicContact CB-CG 4.36Å; K530-F533 HydrophobicContact CB-CZ 3.89Å; K530-F533 HydrophobicContact CG-CD1 4.37Å; K530-F533 HydrophobicContact CG-CE1 3.61Å; K530-F533 HydrophobicContact CG-CZ 3.71Å; K530-F533 VanDerWaalsContact N-CE2 3.25Å; K530-F533 WeakPolarHBondContact O-CB 3.43Å; K530-F533 VanDerWaalsContact O-CD2 3.27Å; K530-F533 WeakPolarHBondContact O-CD2 3.18Å; K530-F533 WeakPolarHBondContact O-CG 3.37Å; K530-F533 PolarHBondContact O-N 2.91Å; K530-F533 VanDerWaalsContact O-N 3.07Å; A531-F533 VanDerWaalsContact C-N 3.3Å; A531-F533 PolarHBondContact O-N 3.25Å; F533-K535 WeakPolarHBondContact O-CE 3.33Å; F533-K535 PolarHBondContact O-N 2.93Å
534P92.9Very high92.4Very high51 Ų5172 Ų7233%0.33139%0.389SS..  trans-59.1143178.3-15.927.9000110.4F506 T514 W536F506-P534 HydrophobicContact CE1-CG 4.3Å; F506-P534 HydrophobicContact CE2-CG 4.44Å; F506-P534 HydrophobicContact CZ-CG 4.17Å; T514-P534 PolarHBondContact OG1-O 3.05Å; P534-W536 HydrophobicContact CB-CD2 4.37Å; P534-W536 HydrophobicContact CB-CE3 3.9Å; P534-W536 HydrophobicContact CB-CH2 3.47Å; P534-W536 VanDerWaalsContact CB-CH2 3.47Å; P534-W536 HydrophobicContact CB-CZ2 3.9Å; P534-W536 HydrophobicContact CB-CZ3 3.46Å; P534-W536 VanDerWaalsContact CB-CZ3 3.46Å; P534-W536 HydrophobicContact CG-CH2 3.53Å; P534-W536 HydrophobicContact CG-CZ2 4.31Å; P534-W536 HydrophobicContact CG-CZ3 3.71Å
535K93.1Very high92.4Very high106 Ų10667.4 Ų67.446%0.46137%0.368SS..  trans-100.993.8-176.5-55.1-59.8179.7-177.40108.8T514 Y529 A531 F533T514-K535 HydrophobicContact CG2-CD 4.18Å; Y529-K535 PolarHBondContact OH-NZ 3.43Å; A531-K535 PolarHBondContact O-NZ 2.92Å; F533-K535 WeakPolarHBondContact O-CE 3.33Å; F533-K535 PolarHBondContact O-N 2.93Å
536W95.3Very high92.1Very high66 Ų6669.1 Ų69.125%0.2537%0.37CS..  trans-86.1137.3167.6-70.6-79.3000108.7F506 F509 R510 G513 T514 P534F506-W536 HydrophobicContact CB-CH2 3.89Å; F506-W536 HydrophobicContact CB-CZ3 4.06Å; F506-W536 HydrophobicContact CD1-CH2 4.33Å; F506-W536 HydrophobicContact CD1-CZ3 4.03Å; F506-W536 HydrophobicContact CD2-CH2 4.42Å; F506-W536 AromaticContact CG-CH2 3.97Å; F506-W536 HydrophobicContact CG-CH2 3.97Å; F506-W536 HydrophobicContact CG-CZ3 4.1Å; F509-W536 HydrophobicContact CB-CD2 4.46Å; F509-W536 HydrophobicContact CB-CE3 3.51Å; F509-W536 HydrophobicContact CB-CZ3 3.95Å; F509-W536 HydrophobicContact CD2-CE3 4.41Å; F509-W536 HydrophobicContact CD2-CZ3 4.27Å; F509-W536 HydrophobicContact CG-CE3 4.5Å; F509-W536 WeakPolarHBondContact O-CB 3.38Å; R510-W536 HydrophobicContact CG-CD2 3.75Å; R510-W536 HydrophobicContact CG-CE3 4.35Å; R510-W536 HydrophobicContact CG-CG 4.12Å; R510-W536 HydrophobicContact CG-CH2 4.24Å; R510-W536 HydrophobicContact CG-CZ2 3.68Å; G513-W536 WeakPolarHBondContact CA-O 3.46Å; T514-W536 PolarHBondContact N-O 3.39Å; T514-W536 PolarHBondContact OG1-N 2.88Å; P534-W536 HydrophobicContact CB-CD2 4.37Å; P534-W536 HydrophobicContact CB-CE3 3.9Å; P534-W536 HydrophobicContact CB-CH2 3.47Å; P534-W536 VanDerWaalsContact CB-CH2 3.47Å; P534-W536 HydrophobicContact CB-CZ2 3.9Å; P534-W536 HydrophobicContact CB-CZ3 3.46Å; P534-W536 VanDerWaalsContact CB-CZ3 3.46Å; P534-W536 HydrophobicContact CG-CH2 3.53Å; P534-W536 HydrophobicContact CG-CZ2 4.31Å; P534-W536 HydrophobicContact CG-CZ3 3.71Å
537H92.2Very high91.9Very high153 Ų15371 Ų7171%0.70838%0.382SS*.  trans-113.3140.1-174.5-62.6-68.2000110.5H540H537-H540 PolarHBondContact O-NE2 2.52Å
538G88.8Confident92Very high49 Ų4968.9 Ų68.951%0.50537%0.368SS..SBendtrans82.8157.9177.800000113.4L512 G513L512-G538 CarbonylContact C-O 3.59Å; G513-G538 VanDerWaalsContact CA-O 3.25Å; G513-G538 WeakPolarHBondContact CA-O 3.46Å; G513-G538 PolarHBondContact N-O 3.43Å; G513-G538 VanDerWaalsContact N-O 3.15Å
539N90.6Very high92.2Very high66 Ų6668.5 Ų68.535%0.35337%0.367SS..  trans-98.2108175.5-176.8-20.5000108.5L541 N557N539-L541 WeakPolarHBondContact OD1-CB 3.39Å; N539-L541 PolarHBondContact OD1-N 2.96Å; N539-N557 PolarHBondContact ND2-OD1 2.65Å
540H94.3Very high92.3Very high61 Ų6172.6 Ų72.628%0.28240%0.397SS..  trans-92.17.8-179.3-61.7-73.6000113.1V511 H537 S542 E543 F544V511-H540 CarbonylContact O-C 3.3Å; V511-H540 WeakPolarHBondContact O-CA 3.41Å; V511-H540 PolarHBondContact O-N 3.09Å; H537-H540 PolarHBondContact O-NE2 2.52Å; H540-S542 PolarHBondContact O-N 3.48Å; H540-E543 IonicContact CE1-OE1 3.44Å; H540-E543 IonicContact CG-OE1 3.7Å; H540-E543 IonicContact ND1-OE1 3.41Å; H540-E543 PolarHBondContact ND1-OE1 3.07Å; H540-E543 WeakPolarHBondContact O-CB 3.29Å; H540-E543 PolarHBondContact O-N 2.86Å; H540-F544 HydrophobicContact CB-CE2 4.36Å; H540-F544 WeakPolarHBondContact O-CD2 3.3Å
541L95.7Very high92.5Very high0 Ų073.3 Ų73.30%040%0.402CS..Hα-helixtrans-52.6-36.2-174.8-176.962000113.1L495 V511 L512 N539 E543 F544 V545 F553 L556 N557 L560L495-L541 HydrophobicContact CD1-CD1 4.24Å; L495-L541 HydrophobicContact CD2-CD1 4.11Å; V511-L541 HydrophobicContact CG1-CB 4.26Å; V511-L541 HydrophobicContact CG1-CD1 3.91Å; V511-L541 PolarHBondContact O-N 2.8Å; L512-L541 HydrophobicContact CD2-CB 4.1Å; L512-L541 HydrophobicContact CD2-CD1 4.37Å; L512-L541 HydrophobicContact CD2-CD2 4.21Å; L512-L541 HydrophobicContact CD2-CG 4.47Å; N539-L541 WeakPolarHBondContact OD1-CB 3.39Å; N539-L541 PolarHBondContact OD1-N 2.96Å; L541-E543 PolarHBondContact O-N 3.15Å; L541-F544 PolarHBondContact O-N 2.83Å; L541-V545 HydrophobicContact CD1-CG2 4.39Å; L541-V545 HydrophobicContact CG-CG2 4.14Å; L541-V545 VanDerWaalsContact O-CG2 3.25Å; L541-V545 WeakPolarHBondContact O-CG2 3.28Å; L541-V545 PolarHBondContact O-N 2.97Å; L541-V545 VanDerWaalsContact O-N 3.11Å; L541-F553 HydrophobicContact CB-CE2 4.06Å; L541-F553 HydrophobicContact CB-CZ 4.4Å; L541-F553 HydrophobicContact CD2-CE2 4.12Å; L541-F553 HydrophobicContact CG-CE2 3.91Å; L541-L556 HydrophobicContact CD1-CD2 4.12Å; L541-L556 HydrophobicContact CD2-CD2 4.07Å; L541-L556 HydrophobicContact CD2-CG 4.09Å; L541-L556 HydrophobicContact CG-CD2 4.28Å; L541-N557 HydrophobicContact CD2-CB 4.44Å; L541-L560 HydrophobicContact CD1-CD1 4.12Å; L541-L560 HydrophobicContact CD2-CD1 4.17Å
542S94.2Very high92.9Very high61 Ų6169.4 Ų69.443%0.42737%0.369SS..Hα-helixtrans-61-28.7179.250.10000113.4H540 F544 N546 F553H540-S542 PolarHBondContact O-N 3.48Å; S542-F544 VanDerWaalsContact C-N 3.32Å; S542-N546 WeakPolarHBondContact O-CA 3.09Å; S542-N546 PolarHBondContact O-N 3.31Å; S542-F553 VanDerWaalsContact CA-CE2 3.48Å
543E94.1Very high93.2Very high125 Ų12565.5 Ų65.558%0.58435%0.346SS*.Hα-helixtrans-71.4-31.1177.1-58.6173.1-148.300111.3H540 L541H540-E543 IonicContact CE1-OE1 3.44Å; H540-E543 IonicContact CG-OE1 3.7Å; H540-E543 IonicContact ND1-OE1 3.41Å; H540-E543 PolarHBondContact ND1-OE1 3.07Å; H540-E543 WeakPolarHBondContact O-CB 3.29Å; H540-E543 PolarHBondContact O-N 2.86Å; L541-E543 PolarHBondContact O-N 3.15Å
544F93Very high93.5Very high100 Ų10069 Ų6944%0.43936%0.362SS..Hα-helixtrans-86.1-29.6-177.9-72.1-96.6000113.1T491 L495 V511 H540 L541 S542T491-F544 WeakPolarHBondContact CG2-O 3.3Å; L495-F544 HydrophobicContact CD1-CB 4.03Å; V511-F544 HydrophobicContact CB-CE2 4.41Å; V511-F544 HydrophobicContact CG1-CD2 3.94Å; V511-F544 HydrophobicContact CG1-CE2 4.33Å; V511-F544 HydrophobicContact CG1-CG 4.35Å; V511-F544 HydrophobicContact CG2-CD1 4.35Å; V511-F544 HydrophobicContact CG2-CD2 4.09Å; V511-F544 HydrophobicContact CG2-CE1 4.07Å; V511-F544 HydrophobicContact CG2-CE2 3.81Å; V511-F544 HydrophobicContact CG2-CG 4.36Å; V511-F544 HydrophobicContact CG2-CZ 3.8Å; H540-F544 HydrophobicContact CB-CE2 4.36Å; H540-F544 WeakPolarHBondContact O-CD2 3.3Å; L541-F544 PolarHBondContact O-N 2.83Å; S542-F544 VanDerWaalsContact C-N 3.32Å
545V92.1Very high93.8Very high1 Ų166.5 Ų66.51%0.00635%0.346CS..SBendtrans-117.741.8179.9-65.20000112.3A487 V490 T491 L541 T547 V548 F553 L556A487-V545 HydrophobicContact CB-CG1 3.91Å; V490-V545 HydrophobicContact CG1-CB 4.34Å; T491-V545 HydrophobicContact CG2-CG1 4.02Å; L541-V545 HydrophobicContact CD1-CG2 4.39Å; L541-V545 HydrophobicContact CG-CG2 4.14Å; L541-V545 VanDerWaalsContact O-CG2 3.25Å; L541-V545 WeakPolarHBondContact O-CG2 3.28Å; L541-V545 PolarHBondContact O-N 2.97Å; L541-V545 VanDerWaalsContact O-N 3.11Å; V545-T547 PolarHBondContact O-N 3.24Å; V545-V548 HydrophobicContact CB-CG1 4.25Å; V545-V548 HydrophobicContact CG2-CG1 4Å; V545-V548 VanDerWaalsContact O-CG1 3.22Å; V545-V548 WeakPolarHBondContact O-CG1 3.46Å; V545-V548 PolarHBondContact O-N 3.47Å; V545-V548 VanDerWaalsContact O-N 3.09Å; V545-F553 HydrophobicContact CG2-CD2 3.87Å; V545-F553 HydrophobicContact CG2-CE2 4.13Å; V545-L556 HydrophobicContact CB-CD2 4.32Å; V545-L556 HydrophobicContact CG1-CD2 3.84Å; V545-L556 HydrophobicContact CG2-CD2 3.84Å
546N86Confident94Very high128 Ų12861.5 Ų61.568%0.68433%0.325SS*.THydrogen-bonded Turntrans-61.5-12.2-17362.917.7000115.7S542S542-N546 WeakPolarHBondContact O-CA 3.09Å; S542-N546 PolarHBondContact O-N 3.31Å
547T88.3Confident94.1Very high56 Ų5660.4 Ų60.434%0.34432%0.323SS..THydrogen-bonded Turntrans-91.6-8.4178.256.10000114.1R394 V490 V545R394-T547 PolarHBondContact NH2-O 2.85Å; R394-T547 VanDerWaalsContact NH2-O 3.08Å; V490-T547 WeakPolarHBondContact CG1-OG1 3.44Å; V490-T547 PolarHBondContact O-OG1 2.9Å; V545-T547 PolarHBondContact O-N 3.24Å
548V92.5Very high94.4Very high24 Ų2457.1 Ų57.115%0.14531%0.307CS..SBendtrans-79143.1-179.282.30000111.1F486 V490 V545 F553F486-V548 HydrophobicContact CE2-CG2 4.33Å; F486-V548 HydrophobicContact CZ-CG2 3.93Å; V490-V548 HydrophobicContact CG1-CB 4.12Å; V490-V548 HydrophobicContact CG2-CG2 4.2Å; V545-V548 HydrophobicContact CB-CG1 4.25Å; V545-V548 HydrophobicContact CG2-CG1 4Å; V545-V548 VanDerWaalsContact O-CG1 3.22Å; V545-V548 WeakPolarHBondContact O-CG1 3.46Å; V545-V548 PolarHBondContact O-N 3.47Å; V545-V548 VanDerWaalsContact O-N 3.09Å; V548-F553 HydrophobicContact CG1-CB 3.67Å; V548-F553 HydrophobicContact CG1-CD2 4.21Å; V548-F553 HydrophobicContact CG1-CG 4.45Å
549D93.6Very high94.9Very high45 Ų4554.8 Ų54.824%0.24128%0.283CS..  trans-71.8164.6174.769.776.7000112.2H551 G552 F553 Y578D549-H551 VanDerWaalsContact C-N 3.29Å; D549-H551 PolarHBondContact O-N 3.39Å; D549-H551 WeakPolarHBondContact OD1-CA 3.23Å; D549-H551 WeakPolarHBondContact OD1-CB 3.44Å; D549-H551 PolarHBondContact OD1-N 3.42Å; D549-G552 WeakPolarHBondContact O-CA 3.12Å; D549-G552 PolarHBondContact O-N 2.92Å; D549-G552 PolarHBondContact OD1-N 3.36Å; D549-F553 PolarHBondContact O-N 2.96Å; D549-Y578 VanDerWaalsContact OD2-CE2 3.23Å; D549-Y578 WeakPolarHBondContact OD2-CE2 3.48Å
550P96.1Very high95.2Very high112 Ų11251.8 Ų51.873%0.72727%0.267SS*.Hα-helixtrans-57.1-36-175.9-28.236.6000114.8H554P550-H554 WeakPolarHBondContact O-CB 3.46Å; P550-H554 PolarHBondContact O-N 3.01Å
551H97.5Very high95.3Very high99 Ų9953.5 Ų53.546%0.45827%0.274SS..Hα-helixtrans-72.1-38176.8-69.6-54.8000111.2D549 H554 L555 H576 Y578D549-H551 VanDerWaalsContact C-N 3.29Å; D549-H551 PolarHBondContact O-N 3.39Å; D549-H551 WeakPolarHBondContact OD1-CA 3.23Å; D549-H551 WeakPolarHBondContact OD1-CB 3.44Å; D549-H551 PolarHBondContact OD1-N 3.42Å; H551-H554 PolarHBondContact O-N 3.21Å; H551-L555 WeakPolarHBondContact O-CB 3.36Å; H551-L555 PolarHBondContact O-N 2.98Å; H551-H576 PolarHBondContact O-CE1 2.98Å; H551-Y578 HydrophobicContact CB-CD2 4.16Å
552G97.4Very high95.3Very high0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-65-42.9174.600000112.1F486 D549 H554 L555 L556 Y578F486-G552 WeakPolarHBondContact CE1-O 3.46Å; D549-G552 WeakPolarHBondContact O-CA 3.12Å; D549-G552 PolarHBondContact O-N 2.92Å; D549-G552 PolarHBondContact OD1-N 3.36Å; G552-H554 PolarHBondContact O-N 3.36Å; G552-L555 PolarHBondContact O-N 3.16Å; G552-L556 WeakPolarHBondContact O-CB 3.42Å; G552-L556 PolarHBondContact O-N 3.19Å; G552-Y578 VanDerWaalsContact CA-CE2 3.45Å
553F97.9Very high95.3Very high57 Ų5752.1 Ų52.125%0.2526%0.261CS..Hα-helixtrans-59.8-47.1174.6-175.8-107.4000111.6L541 S542 V545 V548 D549 L555 L556 N557L541-F553 HydrophobicContact CB-CE2 4.06Å; L541-F553 HydrophobicContact CB-CZ 4.4Å; L541-F553 HydrophobicContact CD2-CE2 4.12Å; L541-F553 HydrophobicContact CG-CE2 3.91Å; S542-F553 VanDerWaalsContact CA-CE2 3.48Å; V545-F553 HydrophobicContact CG2-CD2 3.87Å; V545-F553 HydrophobicContact CG2-CE2 4.13Å; V548-F553 HydrophobicContact CG1-CB 3.67Å; V548-F553 HydrophobicContact CG1-CD2 4.21Å; V548-F553 HydrophobicContact CG1-CG 4.45Å; D549-F553 PolarHBondContact O-N 2.96Å; F553-L555 VanDerWaalsContact C-N 3.34Å; F553-L555 PolarHBondContact O-N 2.59Å; F553-L556 PolarHBondContact O-N 3.03Å; F553-N557 WeakPolarHBondContact O-CB 3.27Å; F553-N557 PolarHBondContact O-N 3.13Å
554H97.8Very high95.2Very high88 Ų8847.4 Ų47.441%0.40724%0.241SC..Hα-helixtrans-61-42.5178.4177.8-106000112.1P550 H551 G552 K558 H576P550-H554 WeakPolarHBondContact O-CB 3.46Å; P550-H554 PolarHBondContact O-N 3.01Å; H551-H554 PolarHBondContact O-N 3.21Å; G552-H554 PolarHBondContact O-N 3.36Å; H554-K558 WeakPolarHBondContact CE1-CE 3.44Å; H554-K558 WeakPolarHBondContact NE2-CE 3.16Å; H554-K558 PolarHBondContact O-N 3.37Å; H554-H576 AromaticContact CE1-NE2 3.55Å; H554-H576 AromaticContact CG-NE2 3.97Å; H554-H576 AromaticContact ND1-CE1 3.53Å; H554-H576 AromaticContact ND1-NE2 2.85Å; H554-H576 PolarHBondContact ND1-NE2 2.88Å
555L98.6Very high95.1Very high0 Ų046.7 Ų46.70%025%0.253CS..Hα-helixtrans-61.7-48.4175-179.454.8000111.7L401 F486 H551 G552 F553 N557 K558 M559 I568 V573 H576 Y578 F579L401-L555 HydrophobicContact CD2-CD2 3.96Å; F486-L555 HydrophobicContact CE1-CB 4.46Å; F486-L555 HydrophobicContact CE1-CD2 4.43Å; F486-L555 HydrophobicContact CE1-CG 4.48Å; H551-L555 WeakPolarHBondContact O-CB 3.36Å; H551-L555 PolarHBondContact O-N 2.98Å; G552-L555 PolarHBondContact O-N 3.16Å; F553-L555 VanDerWaalsContact C-N 3.34Å; F553-L555 PolarHBondContact O-N 2.59Å; L555-N557 VanDerWaalsContact C-N 3.32Å; L555-N557 PolarHBondContact O-N 2.93Å; L555-K558 WeakPolarHBondContact O-CB 3.39Å; L555-K558 PolarHBondContact O-N 2.99Å; L555-K558 VanDerWaalsContact O-N 3.11Å; L555-M559 HydrophobicContact CD1-CE 3.92Å; L555-M559 HydrophobicContact CD1-CG 4.49Å; L555-M559 HydrophobicContact CD2-CE 4.05Å; L555-M559 HydrophobicContact CG-CE 3.83Å; L555-M559 HydrophobicContact CG-SD 4.31Å; L555-M559 WeakPolarHBondContact O-CG 3.46Å; L555-M559 PolarHBondContact O-N 3.38Å; L555-I568 HydrophobicContact CD1-CD1 3.96Å; L555-V573 HydrophobicContact CD1-CB 4.45Å; L555-V573 HydrophobicContact CD1-CG1 4.24Å; L555-V573 HydrophobicContact CD1-CG2 4.15Å; L555-V573 HydrophobicContact CD2-CG1 4.37Å; L555-H576 HydrophobicContact CD1-CB 3.98Å; L555-H576 HydrophobicContact CD2-CB 4.45Å; L555-Y578 HydrophobicContact CD2-CD1 3.76Å; L555-Y578 HydrophobicContact CD2-CG 4.17Å; L555-F579 HydrophobicContact CD2-CE2 3.93Å; L555-F579 HydrophobicContact CD2-CZ 4.11Å
556L98.3Very high95.2Very high1 Ų155.2 Ų55.21%0.00529%0.287CS..Hα-helixtrans-60.5-42.7-179.5-177.663.7000111.6G483 F486 A487 L541 V545 G552 F553 K558 M559 L560G483-L556 WeakPolarHBondContact O-CD1 3.49Å; F486-L556 HydrophobicContact CB-CD1 4.28Å; F486-L556 HydrophobicContact CD1-CB 3.97Å; F486-L556 HydrophobicContact CD1-CD1 3.83Å; F486-L556 HydrophobicContact CD1-CG 4.42Å; F486-L556 HydrophobicContact CE1-CB 3.9Å; F486-L556 HydrophobicContact CG-CD1 4.35Å; A487-L556 HydrophobicContact CB-CD1 4.3Å; A487-L556 HydrophobicContact CB-CD2 4.1Å; L541-L556 HydrophobicContact CD1-CD2 4.12Å; L541-L556 HydrophobicContact CD2-CD2 4.07Å; L541-L556 HydrophobicContact CD2-CG 4.09Å; L541-L556 HydrophobicContact CG-CD2 4.28Å; V545-L556 HydrophobicContact CB-CD2 4.32Å; V545-L556 HydrophobicContact CG1-CD2 3.84Å; V545-L556 HydrophobicContact CG2-CD2 3.84Å; G552-L556 WeakPolarHBondContact O-CB 3.42Å; G552-L556 PolarHBondContact O-N 3.19Å; F553-L556 PolarHBondContact O-N 3.03Å; L556-K558 PolarHBondContact O-N 3.19Å; L556-M559 WeakPolarHBondContact O-CB 3.02Å; L556-M559 PolarHBondContact O-N 3.46Å; L556-M559 VanDerWaalsContact O-N 3.09Å; L556-L560 HydrophobicContact CD1-CD1 3.85Å; L556-L560 HydrophobicContact CD1-CG 4.14Å; L556-L560 HydrophobicContact CG-CD1 4Å; L556-L560 PolarHBondContact O-N 3.26Å
557N97.2Very high95.7Very high42 Ų4249.7 Ų49.723%0.22526%0.256CS..Hα-helixtrans-64.5-31.2178.1-155.5-5.6000112N539 L541 F553 L555N539-N557 PolarHBondContact ND2-OD1 2.65Å; L541-N557 HydrophobicContact CD2-CB 4.44Å; F553-N557 WeakPolarHBondContact O-CB 3.27Å; F553-N557 PolarHBondContact O-N 3.13Å; L555-N557 VanDerWaalsContact C-N 3.32Å; L555-N557 PolarHBondContact O-N 2.93Å
558K98.2Very high96.2Very high85 Ų8547.7 Ų47.737%0.3724%0.243SC..Hα-helixtrans-73.3-33.1171.7-75-169.1169.6-1730113.4H554 L555 L556 I568H554-K558 WeakPolarHBondContact CE1-CE 3.44Å; H554-K558 WeakPolarHBondContact NE2-CE 3.16Å; H554-K558 PolarHBondContact O-N 3.37Å; L555-K558 WeakPolarHBondContact O-CB 3.39Å; L555-K558 PolarHBondContact O-N 2.99Å; L555-K558 VanDerWaalsContact O-N 3.11Å; L556-K558 PolarHBondContact O-N 3.19Å; K558-I568 HydrophobicContact CB-CB 4.01Å; K558-I568 HydrophobicContact CB-CD1 4.33Å; K558-I568 HydrophobicContact CB-CG2 4.01Å; K558-I568 HydrophobicContact CD-CD1 4.13Å; K558-I568 PolarHBondContact O-N 3.22Å
559M98.6Very high96.5Very high0 Ų049.8 Ų49.80%026%0.256CS..Hα-helixtrans-70.8-32.6174.3-69.1174.9168.700112.6L401 I479 I482 F486 L555 L556 R567 I568 V573L401-M559 HydrophobicContact CD1-CE 4.27Å; L401-M559 HydrophobicContact CD2-CE 4.49Å; I479-M559 HydrophobicContact CG2-CB 4.08Å; I479-M559 HydrophobicContact CG2-CG 3.94Å; I482-M559 HydrophobicContact CG2-CE 4.17Å; I482-M559 HydrophobicContact CG2-SD 4.38Å; F486-M559 HydrophobicContact CD1-SD 4.17Å; L555-M559 HydrophobicContact CD1-CE 3.92Å; L555-M559 HydrophobicContact CD1-CG 4.49Å; L555-M559 HydrophobicContact CD2-CE 4.05Å; L555-M559 HydrophobicContact CG-CE 3.83Å; L555-M559 HydrophobicContact CG-SD 4.31Å; L555-M559 WeakPolarHBondContact O-CG 3.46Å; L555-M559 PolarHBondContact O-N 3.38Å; L556-M559 WeakPolarHBondContact O-CB 3.02Å; L556-M559 PolarHBondContact O-N 3.46Å; L556-M559 VanDerWaalsContact O-N 3.09Å; M559-R567 WeakPolarHBondContact O-CD 3.29Å; M559-R567 WeakPolarHBondContact O-CG 3.33Å; M559-I568 HydrophobicContact CB-CG2 4.41Å; M559-I568 HydrophobicContact CG-CG2 3.79Å; M559-V573 HydrophobicContact CE-CB 4.17Å; M559-V573 HydrophobicContact CE-CG1 3.42Å; M559-V573 VanDerWaalsContact CE-CG1 3.42Å; M559-V573 HydrophobicContact CE-CG2 3.56Å; M559-V573 HydrophobicContact CG-CG2 4.46Å
560L98Very high96.6Very high3 Ų347.7 Ų47.72%0.01625%0.245CC..THydrogen-bonded Turntrans-98.827.8-177-61.3180000113.3W480 L495 F496 L512 L541 L556W480-L560 HydrophobicContact CD2-CD2 3.9Å; W480-L560 HydrophobicContact CE3-CB 4.49Å; W480-L560 HydrophobicContact CE3-CD2 3.97Å; W480-L560 HydrophobicContact CG-CD2 4.44Å; W480-L560 HydrophobicContact CH2-CD2 4.36Å; W480-L560 HydrophobicContact CZ2-CD2 4.28Å; W480-L560 HydrophobicContact CZ3-CB 4.16Å; W480-L560 HydrophobicContact CZ3-CD2 4.21Å; W480-L560 WeakPolarHBondContact CZ3-O 3.49Å; L495-L560 HydrophobicContact CD2-CD1 3.62Å; F496-L560 HydrophobicContact CE2-CD2 4.43Å; F496-L560 HydrophobicContact CZ-CD1 4.38Å; L512-L560 HydrophobicContact CD1-CB 4.2Å; L541-L560 HydrophobicContact CD1-CD1 4.12Å; L541-L560 HydrophobicContact CD2-CD1 4.17Å; L556-L560 HydrophobicContact CD1-CD1 3.85Å; L556-L560 HydrophobicContact CD1-CG 4.14Å; L556-L560 HydrophobicContact CG-CD1 4Å; L556-L560 PolarHBondContact O-N 3.26Å
561K96.9Very high96.7Very high96 Ų9649 Ų4942%0.41724%0.24SC..  trans-65.8135170.3-75-66.8-174.7177.90110.8R567K561-R567 HydrophobicContact CB-CB 4.3Å; K561-R567 PolarHBondContact O-NE 2.84Å; K561-R567 PolarHBondContact O-NH2 3.13Å
562Y95.8Very high96.7Very high11 Ų1149.3 Ų49.34%0.04324%0.241CC..SBendtrans-59-61.2178.1-86.9-64.2000111.6P464 I508 F509 L512 G513 P515 E519 P564 R567P464-Y562 HydrophobicContact CB-CD1 4.11Å; P464-Y562 HydrophobicContact CB-CE1 4.28Å; P464-Y562 HydrophobicContact CG-CD1 3.92Å; P464-Y562 HydrophobicContact CG-CE1 4.39Å; I508-Y562 HydrophobicContact CG2-CE1 3.83Å; F509-Y562 HydrophobicContact CD1-CE1 4.25Å; F509-Y562 WeakPolarHBondContact CD1-OH 3.47Å; F509-Y562 HydrophobicContact CE1-CE1 4.19Å; L512-Y562 HydrophobicContact CB-CE2 3.82Å; L512-Y562 WeakPolarHBondContact CB-OH 3.45Å; L512-Y562 HydrophobicContact CD1-CE2 4.46Å; G513-Y562 WeakPolarHBondContact O-CE2 3.26Å; G513-Y562 PolarHBondContact O-OH 3.3Å; P515-Y562 HydrophobicContact CB-CD1 4.07Å; P515-Y562 HydrophobicContact CB-CD2 3.92Å; P515-Y562 HydrophobicContact CB-CE1 4.27Å; P515-Y562 HydrophobicContact CB-CE2 4.11Å; P515-Y562 HydrophobicContact CB-CG 3.91Å; P515-Y562 HydrophobicContact CG-CD1 4.17Å; P515-Y562 HydrophobicContact CG-CE1 4.05Å; E519-Y562 HydrophobicContact CB-CD2 4.32Å; Y562-P564 VanDerWaalsContact O-CD 3.27Å; Y562-P564 WeakPolarHBondContact O-CD 3.43Å; Y562-R567 PolarHBondContact O-NH2 3.02Å
563D93.8Very high96.7Very high22 Ų2249.3 Ų49.312%0.11824%0.241CC..SBendtrans-66.4117.3178.6-171-25.3000110.3W520 A565 Y566 R567W520-D563 HydrophobicContact CB-CB 4.12Å; W520-D563 HydrophobicContact CG-CB 3.96Å; D563-A565 PolarHBondContact O-N 3.01Å; D563-A565 VanDerWaalsContact O-N 3.13Å; D563-A565 WeakPolarHBondContact OD1-CB 3.32Å; D563-A565 PolarHBondContact OD1-N 3Å; D563-Y566 HydrophobicContact CB-CD2 3.85Å; D563-Y566 PolarHBondContact O-N 3.03Å; D563-Y566 VanDerWaalsContact O-N 3.1Å; D563-Y566 WeakPolarHBondContact OD2-CD2 3.08Å; D563-R567 PolarHBondContact O-N 3.03Å
564P92.7Very high96.7Very high25 Ų2547.7 Ų47.716%0.16224%0.235CC..THydrogen-bonded Turntrans-58.9-24.7180-23.434.7000113.6E465 W520 Y562 Y566E465-P564 HydrophobicContact CB-CG 3.88Å; E465-P564 HydrophobicContact CG-CG 3.71Å; W520-P564 HydrophobicContact CZ2-CG 4.48Å; Y562-P564 VanDerWaalsContact O-CD 3.27Å; Y562-P564 WeakPolarHBondContact O-CD 3.43Å; P564-Y566 VanDerWaalsContact C-N 3.34Å
565A90.2Very high96.7Very high85 Ų8547.8 Ų47.870%0.70225%0.246SC*.THydrogen-bonded Turntrans-72.3-26.8179.200000113.1D563D563-A565 PolarHBondContact O-N 3.01Å; D563-A565 VanDerWaalsContact O-N 3.13Å; D563-A565 WeakPolarHBondContact OD1-CB 3.32Å; D563-A565 PolarHBondContact OD1-N 3Å
566Y94.6Very high96.7Very high181 Ų18148.2 Ų48.271%0.7125%0.248SC*.THydrogen-bonded Turntrans-99.9-1.4178.2-67.4-75.6000113.2D563 P564D563-Y566 HydrophobicContact CB-CD2 3.85Å; D563-Y566 PolarHBondContact O-N 3.03Å; D563-Y566 VanDerWaalsContact O-N 3.1Å; D563-Y566 WeakPolarHBondContact OD2-CD2 3.08Å; P564-Y566 VanDerWaalsContact C-N 3.34Å
567R96.7Very high96.7Very high11 Ų1150.7 Ų50.74%0.04226%0.264CS..SBendtrans-71.8131.6175.4-161.2176.6-63.61476.1109.4E465 G476 I479 M559 K561 Y562 D563E465-R567 IonicContact OE1-CZ 3.8Å; E465-R567 IonicContact OE1-NH1 2.83Å; E465-R567 PolarHBondContact OE1-NH1 3.19Å; E465-R567 IonicContact OE1-NH2 2.73Å; E465-R567 IonicContact OE2-CZ 3.97Å; E465-R567 IonicContact OE2-NH1 3.89Å; E465-R567 PolarHBondContact OE2-NH1 2.88Å; E465-R567 IonicContact OE2-NH2 3.69Å; E465-R567 PolarHBondContact OE2-NH2 2.96Å; G476-R567 WeakPolarHBondContact O-CD 3.29Å; G476-R567 PolarHBondContact O-NH1 3.2Å; I479-R567 HydrophobicContact CB-CG 4.35Å; I479-R567 HydrophobicContact CG2-CG 4.12Å; M559-R567 WeakPolarHBondContact O-CD 3.29Å; M559-R567 WeakPolarHBondContact O-CG 3.33Å; K561-R567 HydrophobicContact CB-CB 4.3Å; K561-R567 PolarHBondContact O-NE 2.84Å; K561-R567 PolarHBondContact O-NH2 3.13Å; Y562-R567 PolarHBondContact O-NH2 3.02Å; D563-R567 PolarHBondContact O-N 3.03Å
568I98.2Very high96.7Very high14 Ų1449.1 Ų49.17%0.07226%0.255CS..PPolyproline II helixtrans-55.4140.7-178.5-168.5171.1000111.2I479 L555 K558 M559 E572 V573I479-I568 WeakPolarHBondContact CG1-O 3.43Å; I479-I568 HydrophobicContact CG2-CG2 4.01Å; I479-I568 WeakPolarHBondContact CG2-O 3.49Å; L555-I568 HydrophobicContact CD1-CD1 3.96Å; K558-I568 HydrophobicContact CB-CB 4.01Å; K558-I568 HydrophobicContact CB-CD1 4.33Å; K558-I568 HydrophobicContact CB-CG2 4.01Å; K558-I568 HydrophobicContact CD-CD1 4.13Å; K558-I568 PolarHBondContact O-N 3.22Å; M559-I568 HydrophobicContact CB-CG2 4.41Å; M559-I568 HydrophobicContact CG-CG2 3.79Å; I568-E572 HydrophobicContact CD1-CB 3.86Å; I568-E572 HydrophobicContact CG1-CB 3.4Å; I568-E572 VanDerWaalsContact CG1-CB 3.4Å; I568-V573 HydrophobicContact CB-CG2 4.49Å; I568-V573 HydrophobicContact CD1-CG2 4.02Å; I568-V573 HydrophobicContact CG1-CG2 4.07Å; I568-V573 HydrophobicContact CG2-CG2 3.69Å
569T98Very high96.7Very high68 Ų6845.1 Ų45.142%0.41724%0.237SC..PPolyproline II helixtrans-80.9157.5175.663.80000111.4K571 E572 V573T569-K571 PolarHBondContact O-N 3.21Å; T569-E572 WeakPolarHBondContact CB-OE2 3.41Å; T569-E572 WeakPolarHBondContact CG2-OE2 3.25Å; T569-E572 PolarHBondContact N-OE2 2.74Å; T569-E572 PolarHBondContact O-N 2.88Å; T569-E572 VanDerWaalsContact OG1-CD 3.27Å; T569-E572 VanDerWaalsContact OG1-CG 3.25Å; T569-E572 WeakPolarHBondContact OG1-CG 3.18Å; T569-E572 PolarHBondContact OG1-N 3.27Å; T569-E572 PolarHBondContact OG1-OE2 2.61Å; T569-V573 WeakPolarHBondContact O-CG2 2.95Å; T569-V573 PolarHBondContact O-N 3Å
570A96.8Very high96.6Very high1 Ų151 Ų511%0.00827%0.269CS..Hα-helixtrans-56.7-34.9176.300000112.4Q409 I479 V573 L574Q409-A570 HydrophobicContact CB-CB 3.7Å; I479-A570 HydrophobicContact CD1-CB 3.77Å; A570-V573 WeakPolarHBondContact O-CB 3.3Å; A570-V573 PolarHBondContact O-N 2.84Å; A570-L574 WeakPolarHBondContact O-CG 3.32Å; A570-L574 PolarHBondContact O-N 2.78Å
571K96.8Very high96.4Very high140 Ų14056.3 Ų56.361%0.60930%0.298SS*.Hα-helixtrans-61.2-45.1175.1-171.6179.3177-175.50112.1Q409 T569 L574 S575Q409-K571 HydrophobicContact CG-CB 4.49Å; T569-K571 PolarHBondContact O-N 3.21Å; K571-L574 PolarHBondContact O-N 2.66Å; K571-S575 PolarHBondContact O-N 3.18Å; K571-S575 PolarHBondContact O-OG 2.83Å
572E98.1Very high96.3Very high105 Ų10553 Ų5349%0.49128%0.284SS..Hα-helixtrans-71.9-33.5179.5-70.1165.4134.300111.6I568 T569 L574 S575 H576I568-E572 HydrophobicContact CD1-CB 3.86Å; I568-E572 HydrophobicContact CG1-CB 3.4Å; I568-E572 VanDerWaalsContact CG1-CB 3.4Å; T569-E572 WeakPolarHBondContact CB-OE2 3.41Å; T569-E572 WeakPolarHBondContact CG2-OE2 3.25Å; T569-E572 PolarHBondContact N-OE2 2.74Å; T569-E572 PolarHBondContact O-N 2.88Å; T569-E572 VanDerWaalsContact OG1-CD 3.27Å; T569-E572 VanDerWaalsContact OG1-CG 3.25Å; T569-E572 WeakPolarHBondContact OG1-CG 3.18Å; T569-E572 PolarHBondContact OG1-N 3.27Å; T569-E572 PolarHBondContact OG1-OE2 2.61Å; E572-L574 VanDerWaalsContact C-N 3.33Å; E572-L574 PolarHBondContact O-N 3.08Å; E572-S575 CarbonylContact O-C 3.55Å; E572-S575 PolarHBondContact O-N 2.72Å; E572-S575 VanDerWaalsContact O-N 3.15Å; E572-H576 PolarHBondContact O-N 3.49Å
573V98.5Very high96.2Very high1 Ų156.4 Ų56.41%0.00630%0.303CS..Hα-helixtrans-55.3-49.7171.2171.30000110.1S405 L555 M559 I568 T569 A570 S575 H576 F579S405-V573 VanDerWaalsContact OG-CG1 3.32Å; S405-V573 WeakPolarHBondContact OG-CG1 3.19Å; L555-V573 HydrophobicContact CD1-CB 4.45Å; L555-V573 HydrophobicContact CD1-CG1 4.24Å; L555-V573 HydrophobicContact CD1-CG2 4.15Å; L555-V573 HydrophobicContact CD2-CG1 4.37Å; M559-V573 HydrophobicContact CE-CB 4.17Å; M559-V573 HydrophobicContact CE-CG1 3.42Å; M559-V573 VanDerWaalsContact CE-CG1 3.42Å; M559-V573 HydrophobicContact CE-CG2 3.56Å; M559-V573 HydrophobicContact CG-CG2 4.46Å; I568-V573 HydrophobicContact CB-CG2 4.49Å; I568-V573 HydrophobicContact CD1-CG2 4.02Å; I568-V573 HydrophobicContact CG1-CG2 4.07Å; I568-V573 HydrophobicContact CG2-CG2 3.69Å; T569-V573 WeakPolarHBondContact O-CG2 2.95Å; T569-V573 PolarHBondContact O-N 3Å; A570-V573 WeakPolarHBondContact O-CB 3.3Å; A570-V573 PolarHBondContact O-N 2.84Å; V573-S575 PolarHBondContact O-N 2.8Å; V573-S575 VanDerWaalsContact O-N 3.14Å; V573-H576 WeakPolarHBondContact O-CB 3.46Å; V573-H576 PolarHBondContact O-N 2.99Å; V573-F579 HydrophobicContact CG1-CE2 3.88Å; V573-F579 HydrophobicContact CG1-CZ 4.37Å; V573-F579 VanDerWaalsContact O-CD2 3.25Å; V573-F579 WeakPolarHBondContact O-CD2 3.49Å; V573-F579 WeakPolarHBondContact O-CE2 3.34Å
574L97.2Very high96.1Very high22 Ų2258.9 Ų58.912%0.11531%0.313CS..Hα-helixtrans-62.4-22.4-179.5-65.4169.3000114.2Y402 D406 Q409 A570 K571 E572Y402-L574 HydrophobicContact CD1-CD2 4.32Å; Y402-L574 HydrophobicContact CD2-CD2 3.88Å; Y402-L574 HydrophobicContact CE1-CD2 4.14Å; Y402-L574 HydrophobicContact CE2-CB 4.4Å; Y402-L574 HydrophobicContact CE2-CD2 3.68Å; Y402-L574 HydrophobicContact CG-CD2 4.2Å; D406-L574 HydrophobicContact CB-CD1 4.42Å; D406-L574 HydrophobicContact CB-CD2 3.89Å; Q409-L574 HydrophobicContact CB-CD1 3.86Å; Q409-L574 HydrophobicContact CG-CD1 3.98Å; A570-L574 WeakPolarHBondContact O-CG 3.32Å; A570-L574 PolarHBondContact O-N 2.78Å; K571-L574 PolarHBondContact O-N 2.66Å; E572-L574 VanDerWaalsContact C-N 3.33Å; E572-L574 PolarHBondContact O-N 3.08Å
575S97.1Very high96Very high90 Ų9061.4 Ų61.463%0.62933%0.328SS*.THydrogen-bonded Turntrans-96.52.3179.1-49.70000112.6K571 E572 V573K571-S575 PolarHBondContact O-N 3.18Å; K571-S575 PolarHBondContact O-OG 2.83Å; E572-S575 CarbonylContact O-C 3.55Å; E572-S575 PolarHBondContact O-N 2.72Å; E572-S575 VanDerWaalsContact O-N 3.15Å; V573-S575 PolarHBondContact O-N 2.8Å; V573-S575 VanDerWaalsContact O-N 3.14Å
576H98.6Very high96Very high9 Ų962.3 Ų62.34%0.04232%0.324CS..SBendtrans-72.5142.1-174.4-168.3-92.1000111.9H551 H554 L555 E572 V573 Y578 F579H551-H576 PolarHBondContact O-CE1 2.98Å; H554-H576 AromaticContact CE1-NE2 3.55Å; H554-H576 AromaticContact CG-NE2 3.97Å; H554-H576 AromaticContact ND1-CE1 3.53Å; H554-H576 AromaticContact ND1-NE2 2.85Å; H554-H576 PolarHBondContact ND1-NE2 2.88Å; L555-H576 HydrophobicContact CD1-CB 3.98Å; L555-H576 HydrophobicContact CD2-CB 4.45Å; E572-H576 PolarHBondContact O-N 3.49Å; V573-H576 WeakPolarHBondContact O-CB 3.46Å; V573-H576 PolarHBondContact O-N 2.99Å; H576-Y578 VanDerWaalsContact ND1-CB 3.3Å; H576-Y578 WeakPolarHBondContact ND1-CB 3.5Å; H576-Y578 PolarHBondContact ND1-N 3.04Å; H576-Y578 VanDerWaalsContact ND1-N 3.15Å; H576-Y578 PolarHBondContact O-N 3.36Å; H576-F579 HydrophobicContact CB-CD2 4.42Å; H576-F579 PolarHBondContact O-N 3.05Å
577P98.2Very high95.8Very high54 Ų5454.1 Ų54.135%0.35129%0.293SS..G310 helixtrans-53.9-21.7178.9-30.636.4000116F579 N580P577-F579 PolarHBondContact O-N 3.29Å; P577-F579 VanDerWaalsContact O-N 3.1Å; P577-N580 WeakPolarHBondContact O-CB 3.26Å; P577-N580 PolarHBondContact O-N 3.13Å; P577-N580 VanDerWaalsContact O-N 3.1Å
578Y98Very high95.4Very high8 Ų855.4 Ų55.43%0.03130%0.302CS..G310 helixtrans-55.7-24.5174-178.2-113.5000113.3L397 K398 L401 F486 D549 H551 G552 L555 H576L397-Y578 WeakPolarHBondContact CD2-OH 3.35Å; K398-Y578 HydrophobicContact CB-CE1 4.25Å; K398-Y578 HydrophobicContact CD-CE1 4.44Å; K398-Y578 VanDerWaalsContact CD-O 3.25Å; K398-Y578 WeakPolarHBondContact CD-O 3.26Å; K398-Y578 WeakPolarHBondContact CE-O 3.03Å; K398-Y578 HydrophobicContact CG-CD1 4.28Å; K398-Y578 HydrophobicContact CG-CE1 3.81Å; K398-Y578 PolarHBondContact NZ-O 2.9Å; L401-Y578 HydrophobicContact CD2-CD1 4.22Å; L401-Y578 HydrophobicContact CD2-CE1 3.79Å; F486-Y578 HydrophobicContact CE2-CE1 4.37Å; F486-Y578 HydrophobicContact CZ-CE1 4.02Å; F486-Y578 HydrophobicContact CZ-CE2 4.35Å; F486-Y578 AromaticContact CZ-CZ 3.81Å; D549-Y578 VanDerWaalsContact OD2-CE2 3.23Å; D549-Y578 WeakPolarHBondContact OD2-CE2 3.48Å; H551-Y578 HydrophobicContact CB-CD2 4.16Å; G552-Y578 VanDerWaalsContact CA-CE2 3.45Å; L555-Y578 HydrophobicContact CD2-CD1 3.76Å; L555-Y578 HydrophobicContact CD2-CG 4.17Å; H576-Y578 VanDerWaalsContact ND1-CB 3.3Å; H576-Y578 WeakPolarHBondContact ND1-CB 3.5Å; H576-Y578 PolarHBondContact ND1-N 3.04Å; H576-Y578 VanDerWaalsContact ND1-N 3.15Å; H576-Y578 PolarHBondContact O-N 3.36Å
579F97.6Very high94.6Very high1 Ų156.3 Ų56.30%0.00432%0.315CS..G310 helixtrans-104.17.2-179.7-57.7-63.6000114.2K398 L401 Y402 L555 V573 H576 P577 D581 L582K398-F579 HydrophobicContact CD-CD1 4.48Å; K398-F579 HydrophobicContact CG-CD1 3.77Å; K398-F579 HydrophobicContact CG-CE1 4.02Å; K398-F579 WeakPolarHBondContact O-CE1 3.22Å; L401-F579 HydrophobicContact CB-CE1 4.31Å; L401-F579 HydrophobicContact CB-CZ 4.28Å; L401-F579 HydrophobicContact CD2-CE1 4.36Å; L401-F579 HydrophobicContact CD2-CZ 3.89Å; L401-F579 HydrophobicContact CG-CE1 4.42Å; L401-F579 HydrophobicContact CG-CZ 3.92Å; Y402-F579 HydrophobicContact CD2-CB 4.07Å; Y402-F579 AromaticContact CD2-CD1 3.78Å; Y402-F579 HydrophobicContact CD2-CD1 3.78Å; Y402-F579 AromaticContact CD2-CD2 3.99Å; Y402-F579 HydrophobicContact CD2-CD2 3.99Å; Y402-F579 HydrophobicContact CD2-CE1 4.15Å; Y402-F579 HydrophobicContact CD2-CE2 4.33Å; Y402-F579 AromaticContact CD2-CG 3.69Å; Y402-F579 HydrophobicContact CD2-CG 3.69Å; Y402-F579 HydrophobicContact CD2-CZ 4.4Å; Y402-F579 HydrophobicContact CE2-CB 4.43Å; Y402-F579 HydrophobicContact CE2-CG 4.41Å; Y402-F579 HydrophobicContact CG-CD1 4.36Å; Y402-F579 HydrophobicContact CG-CE1 4.45Å; L555-F579 HydrophobicContact CD2-CE2 3.93Å; L555-F579 HydrophobicContact CD2-CZ 4.11Å; V573-F579 HydrophobicContact CG1-CE2 3.88Å; V573-F579 HydrophobicContact CG1-CZ 4.37Å; V573-F579 VanDerWaalsContact O-CD2 3.25Å; V573-F579 WeakPolarHBondContact O-CD2 3.49Å; V573-F579 WeakPolarHBondContact O-CE2 3.34Å; H576-F579 HydrophobicContact CB-CD2 4.42Å; H576-F579 PolarHBondContact O-N 3.05Å; P577-F579 PolarHBondContact O-N 3.29Å; P577-F579 VanDerWaalsContact O-N 3.1Å; F579-D581 VanDerWaalsContact C-N 3.27Å; F579-D581 PolarHBondContact O-N 3.16Å; F579-L582 HydrophobicContact CB-CB 4.48Å; F579-L582 HydrophobicContact CD1-CD2 4.04Å; F579-L582 WeakPolarHBondContact O-CB 3.28Å; F579-L582 PolarHBondContact O-N 3.28Å; F579-L582 VanDerWaalsContact O-N 3.16Å
580N96Very high93.9Very high123 Ų12356.7 Ų56.766%0.65831%0.309SS*.THydrogen-bonded Turntrans-66.7-29.3-177.1-76.3-2.1000113.1P577P577-N580 WeakPolarHBondContact O-CB 3.26Å; P577-N580 PolarHBondContact O-N 3.13Å; P577-N580 VanDerWaalsContact O-N 3.1Å
581D95.2Very high93.1Very high116 Ų11664.6 Ų64.662%0.6235%0.346SS*.THydrogen-bonded Turntrans-90.9-0.2176.665.3-38.5000113.2K398 F579K398-D581 IonicContact NZ-OD1 3.15Å; K398-D581 PolarHBondContact NZ-OD1 3.23Å; K398-D581 IonicContact NZ-OD2 2.62Å; K398-D581 PolarHBondContact NZ-OD2 2.91Å; F579-D581 VanDerWaalsContact C-N 3.27Å; F579-D581 PolarHBondContact O-N 3.16Å
582L95Very high92.2Very high25 Ų2560 Ų6013%0.13134%0.335CS..SBendtrans-85.6113.4176.5-175.167.7000109.6K398 Y402 F579 K584 L587K398-L582 HydrophobicContact CD-CB 4.27Å; K398-L582 HydrophobicContact CG-CD1 4.44Å; K398-L582 HydrophobicContact CG-CD2 4.46Å; Y402-L582 HydrophobicContact CD1-CD2 4.41Å; Y402-L582 HydrophobicContact CD2-CD2 4Å; Y402-L582 HydrophobicContact CG-CD2 3.73Å; F579-L582 HydrophobicContact CB-CB 4.48Å; F579-L582 HydrophobicContact CD1-CD2 4.04Å; F579-L582 WeakPolarHBondContact O-CB 3.28Å; F579-L582 PolarHBondContact O-N 3.28Å; F579-L582 VanDerWaalsContact O-N 3.16Å; L582-K584 PolarHBondContact O-N 3.35Å; L582-K584 VanDerWaalsContact O-N 3.08Å; L582-L587 HydrophobicContact CD1-CD2 4.39Å; L582-L587 HydrophobicContact CD2-CD1 4.12Å; L582-L587 HydrophobicContact CD2-CD2 4.44Å
583D93.2Very high91.2Very high83 Ų8355.5 Ų55.544%0.44431%0.313SS..  trans-66.9108.1168.4-179.1-2.6000109.6T585 V586D583-T585 VanDerWaalsContact C-N 3.34Å; D583-T585 WeakPolarHBondContact OD1-CB 3.16Å; D583-T585 PolarHBondContact OD1-N 3.44Å; D583-T585 PolarHBondContact OD1-OG1 3.33Å; D583-V586 HydrophobicContact CB-CG2 3.89Å; D583-V586 VanDerWaalsContact O-CG2 3.28Å; D583-V586 WeakPolarHBondContact O-CG2 3.15Å; D583-V586 WeakPolarHBondContact OD2-CG1 3.49Å
584K92.2Very high90.1Very high75 Ų7558.9 Ų58.933%0.32633%0.33SS..SBendtrans-77.3-21.8-177.4-67.9161.6-170.6165.40112.6Y402 L582 V586 L587 Y590Y402-K584 HydrophobicContact CE1-CG 4.43Å; Y402-K584 HydrophobicContact CE2-CD 4.28Å; Y402-K584 HydrophobicContact CE2-CG 4.42Å; L582-K584 PolarHBondContact O-N 3.35Å; L582-K584 VanDerWaalsContact O-N 3.08Å; K584-V586 VanDerWaalsContact C-N 3.3Å; K584-V586 PolarHBondContact O-N 3.22Å; K584-L587 HydrophobicContact CB-CD1 4.38Å; K584-L587 HydrophobicContact CG-CD1 4.36Å; K584-L587 WeakPolarHBondContact O-CB 3.49Å; K584-L587 PolarHBondContact O-N 3.44Å; K584-Y590 WeakPolarHBondContact O-CD2 3.4Å
585T89.5Confident88.9Confident77 Ų7760.1 Ų60.147%0.47234%0.344SS..THydrogen-bonded Turntrans-74-24.1-175.669.30000112.6D583 Y590D583-T585 VanDerWaalsContact C-N 3.34Å; D583-T585 WeakPolarHBondContact OD1-CB 3.16Å; D583-T585 PolarHBondContact OD1-N 3.44Å; D583-T585 PolarHBondContact OD1-OG1 3.33Å; T585-Y590 HydrophobicContact CG2-CE1 4.33Å; T585-Y590 HydrophobicContact CG2-CE2 4.18Å
586V89.8Confident87.3Confident104 Ų10457 Ų5763%0.6332%0.321SS*.THydrogen-bonded Turntrans-91.7-1.8176.9-61.20000113.2D583 K584D583-V586 HydrophobicContact CB-CG2 3.89Å; D583-V586 VanDerWaalsContact O-CG2 3.28Å; D583-V586 WeakPolarHBondContact O-CG2 3.15Å; D583-V586 WeakPolarHBondContact OD2-CG1 3.49Å; K584-V586 VanDerWaalsContact C-N 3.3Å; K584-V586 PolarHBondContact O-N 3.22Å
587L91.6Very high85.7Confident10 Ų1061.2 Ų61.25%0.05234%0.344CS..SBendtrans-69.3137.1178.5-67.9178.8000110.7S399 Y402 L582 K584 G589 Y590S399-L587 WeakPolarHBondContact OG-CD2 3.47Å; Y402-L587 HydrophobicContact CD1-CD1 3.48Å; Y402-L587 VanDerWaalsContact CD1-CD1 3.48Å; Y402-L587 HydrophobicContact CE1-CD1 3.81Å; Y402-L587 HydrophobicContact CG-CD1 4.25Å; L582-L587 HydrophobicContact CD1-CD2 4.39Å; L582-L587 HydrophobicContact CD2-CD1 4.12Å; L582-L587 HydrophobicContact CD2-CD2 4.44Å; K584-L587 HydrophobicContact CB-CD1 4.38Å; K584-L587 HydrophobicContact CG-CD1 4.36Å; K584-L587 WeakPolarHBondContact O-CB 3.49Å; K584-L587 PolarHBondContact O-N 3.44Å; L587-G589 PolarHBondContact O-N 3.05Å; L587-Y590 WeakPolarHBondContact O-CB 3.24Å; L587-Y590 PolarHBondContact O-N 3.31Å; L587-Y590 VanDerWaalsContact O-N 3.07Å
588P87.1Confident83.6Confident37 Ų3763 Ų6324%0.2436%0.358CS..THydrogen-bonded Turntrans-54128.4174.3-28.437.1000111.8R431 A433R431-P588 WeakPolarHBondContact O-CG 3.08Å; A433-P588 HydrophobicContact CB-CB 3.54Å; A433-P588 HydrophobicContact CB-CG 4.04Å
589G81.9Confident81.2Confident33 Ų3370 Ų7034%0.3440%0.395SS..THydrogen-bonded Turntrans82.613.1-179.300000115.4L587 E591 A592 R593L587-G589 PolarHBondContact O-N 3.05Å; G589-E591 VanDerWaalsContact C-N 3.34Å; G589-E591 PolarHBondContact O-N 3.29Å; G589-A592 PolarHBondContact O-N 3.4Å; G589-R593 PolarHBondContact O-N 3.32Å
590Y83.8Confident78.5Confident76 Ų7679.5 Ų79.530%0.29843%0.431SS..Hα-helixtrans-51.1-47.6176.4177-103.8000113.4K584 T585 L587 A592 R593 M594K584-Y590 WeakPolarHBondContact O-CD2 3.4Å; T585-Y590 HydrophobicContact CG2-CE1 4.33Å; T585-Y590 HydrophobicContact CG2-CE2 4.18Å; L587-Y590 WeakPolarHBondContact O-CB 3.24Å; L587-Y590 PolarHBondContact O-N 3.31Å; L587-Y590 VanDerWaalsContact O-N 3.07Å; Y590-A592 PolarHBondContact O-N 2.9Å; Y590-R593 VanDerWaalsContact O-CB 3.3Å; Y590-R593 WeakPolarHBondContact O-CB 3.29Å; Y590-R593 PolarHBondContact O-N 3.03Å; Y590-R593 VanDerWaalsContact O-N 3.14Å; Y590-M594 HydrophobicContact CD1-CG 4.34Å; Y590-M594 HydrophobicContact CD2-CE 4.22Å; Y590-M594 HydrophobicContact CE1-CG 3.88Å; Y590-M594 HydrophobicContact CE2-CE 3.75Å; Y590-M594 HydrophobicContact CE2-CG 4.08Å; Y590-M594 HydrophobicContact CE2-SD 4.08Å; Y590-M594 WeakPolarHBondContact O-CG 3.23Å; Y590-M594 PolarHBondContact O-N 3.23Å
591E79.2Confident77.6Confident167 Ų16777.4 Ų77.478%0.7842%0.419SS*.Hα-helixtrans-61-45.2178.6-65.5175.8172.200112G589 R593 M594 A595G589-E591 VanDerWaalsContact C-N 3.34Å; G589-E591 PolarHBondContact O-N 3.29Å; E591-R593 VanDerWaalsContact C-N 3.27Å; E591-R593 PolarHBondContact O-N 3.1Å; E591-M594 PolarHBondContact O-N 3.46Å; E591-A595 PolarHBondContact O-N 2.64Å
592A77.7Confident76.7Confident45 Ų4575.3 Ų75.337%0.37241%0.409SS..Hα-helixtrans-62.4-36.417600000111.7P353 G589 Y590 A595 S596P353-A592 HydrophobicContact CB-CB 4.24Å; P353-A592 HydrophobicContact CG-CB 4.37Å; G589-A592 PolarHBondContact O-N 3.4Å; Y590-A592 PolarHBondContact O-N 2.9Å; A592-A595 PolarHBondContact O-N 3.38Å; A592-S596 WeakPolarHBondContact O-CB 3.4Å; A592-S596 PolarHBondContact O-N 3.47Å
593R78.1Confident75.7Confident9 Ų978.1 Ų78.13%0.03442%0.424CS..Hα-helixtrans-62.8-47.5174.1-170.3-177.1-66.6138.81.2111.1P353 N354 D406 G589 Y590 E591 A595 S596 L597P353-R593 HydrophobicContact CG-CB 4.19Å; N354-R593 PolarHBondContact OD1-NH2 2.79Å; D406-R593 IonicContact OD1-NE 3.28Å; D406-R593 IonicContact OD2-CZ 2.74Å; D406-R593 VanDerWaalsContact OD2-CZ 3.28Å; D406-R593 IonicContact OD2-NE 2.68Å; D406-R593 PolarHBondContact OD2-NE 2.96Å; D406-R593 IonicContact OD2-NH2 2.64Å; D406-R593 PolarHBondContact OD2-NH2 3.5Å; G589-R593 PolarHBondContact O-N 3.32Å; Y590-R593 VanDerWaalsContact O-CB 3.3Å; Y590-R593 WeakPolarHBondContact O-CB 3.29Å; Y590-R593 PolarHBondContact O-N 3.03Å; Y590-R593 VanDerWaalsContact O-N 3.14Å; E591-R593 VanDerWaalsContact C-N 3.27Å; E591-R593 PolarHBondContact O-N 3.1Å; R593-A595 VanDerWaalsContact C-N 3.35Å; R593-A595 PolarHBondContact O-N 3.3Å; R593-S596 PolarHBondContact O-N 3.36Å; R593-S596 PolarHBondContact O-OG 3.4Å; R593-L597 PolarHBondContact O-N 3.4Å
594M75.7Confident74.7Confident72 Ų7277.8 Ų77.836%0.35542%0.423SS..Hα-helixtrans-62-42.7177.4-66.2-56.2102.500111.6Y590 E591 S596 L597 S598Y590-M594 HydrophobicContact CD1-CG 4.34Å; Y590-M594 HydrophobicContact CD2-CE 4.22Å; Y590-M594 HydrophobicContact CE1-CG 3.88Å; Y590-M594 HydrophobicContact CE2-CE 3.75Å; Y590-M594 HydrophobicContact CE2-CG 4.08Å; Y590-M594 HydrophobicContact CE2-SD 4.08Å; Y590-M594 WeakPolarHBondContact O-CG 3.23Å; Y590-M594 PolarHBondContact O-N 3.23Å; E591-M594 PolarHBondContact O-N 3.46Å; M594-S596 VanDerWaalsContact C-N 3.31Å; M594-S596 PolarHBondContact O-N 3.46Å; M594-L597 HydrophobicContact CE-CD1 3.79Å; M594-L597 PolarHBondContact O-N 3.02Å; M594-L597 HydrophobicContact SD-CD1 4.46Å; M594-S598 PolarHBondContact O-N 2.87Å; M594-S598 VanDerWaalsContact O-N 3.14Å; M594-S598 PolarHBondContact O-OG 2.91Å
595A70.8Confident73.6Confident49 Ų4978 Ų7841%0.40543%0.429SS..Hα-helixtrans-61.9-37.3175.900000112.8E591 A592 R593 L597 S598 L599E591-A595 PolarHBondContact O-N 2.64Å; A592-A595 PolarHBondContact O-N 3.38Å; R593-A595 VanDerWaalsContact C-N 3.35Å; R593-A595 PolarHBondContact O-N 3.3Å; A595-L597 VanDerWaalsContact C-N 3.3Å; A595-L597 PolarHBondContact O-N 3.45Å; A595-S598 WeakPolarHBondContact CA-OG 3.47Å; A595-S598 PolarHBondContact O-N 2.83Å; A595-S598 PolarHBondContact O-OG 2.98Å; A595-L599 PolarHBondContact O-N 2.96Å
596S63.3Low72.5Confident23 Ų2378.1 Ų78.116%0.16143%0.426CS..Hα-helixtrans-70.2-25.9177.578.30000113.6A592 R593 M594A592-S596 WeakPolarHBondContact O-CB 3.4Å; A592-S596 PolarHBondContact O-N 3.47Å; R593-S596 PolarHBondContact O-N 3.36Å; R593-S596 PolarHBondContact O-OG 3.4Å; M594-S596 VanDerWaalsContact C-N 3.31Å; M594-S596 PolarHBondContact O-N 3.46Å
597L65.9Low71.3Confident98 Ų9876.2 Ų76.251%0.51341%0.412SS..Hα-helixtrans-78.4-33.6175.2-73.5166.8000111.8R593 M594 A595 L599 R600R593-L597 PolarHBondContact O-N 3.4Å; M594-L597 HydrophobicContact CE-CD1 3.79Å; M594-L597 PolarHBondContact O-N 3.02Å; M594-L597 HydrophobicContact SD-CD1 4.46Å; A595-L597 VanDerWaalsContact C-N 3.3Å; A595-L597 PolarHBondContact O-N 3.45Å; L597-L599 VanDerWaalsContact C-N 3.28Å; L597-L599 PolarHBondContact O-N 3.29Å; L597-R600 PolarHBondContact O-N 3.26Å
598S54.5Low69.7Low92 Ų9281.3 Ų81.364%0.64344%0.439SS*.Hα-helixtrans-74.7-12.2177.153.50000114.8M594 A595 R600M594-S598 PolarHBondContact O-N 2.87Å; M594-S598 VanDerWaalsContact O-N 3.14Å; M594-S598 PolarHBondContact O-OG 2.91Å; A595-S598 WeakPolarHBondContact CA-OG 3.47Å; A595-S598 PolarHBondContact O-N 2.83Å; A595-S598 PolarHBondContact O-OG 2.98Å; S598-R600 VanDerWaalsContact C-N 3.34Å
599L47.3Very low68.2Low156 Ų15685 Ų8582%0.81746%0.456SS*.THydrogen-bonded Turntrans-91.35.5175.6-79.5160.9000113.1A595 L597A595-L599 PolarHBondContact O-N 2.96Å; L597-L599 VanDerWaalsContact C-N 3.28Å; L597-L599 PolarHBondContact O-N 3.29Å
600R40.8Very low67Low200 Ų20089.7 Ų89.776%0.75547%0.467SS*.  trans-104.70167.9-71.3-174.2177.1-164.8-3109.5S413 L597 S598S413-R600 PolarHBondContact OG-NH2 2.68Å; L597-R600 PolarHBondContact O-N 3.26Å; S598-R600 VanDerWaalsContact C-N 3.34Å

Retrieved 600 of 600 residues in 2195 ms (Link to these results)

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