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Dual-specificity RNA methyltransferase RlmN

Specifically methylates position 2 of adenine 2503 in 23S rRNA and position 2 of adenine 37 in tRNAs. m2A2503 modification seems to play a crucial role in the proofreading step occurring at the peptidyl transferase center and thus would serve to optimize ribosomal fidelity. Unmodified tRNA is not a suitable substrate for RlmN, which suggests that RlmN works in a late step during tRNA maturation.

AlphaFold DB , UniProt , Accession P36979, Species ECOLI (Escherichia coli (strain K12)), Gene rlmN, Length 384 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.7Very low40.9Very low242 Ų242137.7 Ų137.7100%1.19274%0.736SS**  0117.80-73.1-172.8-87.400106.5E3M1-E3 PolarHBondContact O-N 3.33Å
2S33.9Very low41.9Very low119 Ų119133.3 Ų133.383%0.83272%0.718SS**  trans-72.9104.5-173.144.60000110.9Q4S2-Q4 PolarHBondContact O-N 3.29Å
3E36.7Very low43.5Very low174 Ų174124.8 Ų124.881%0.81367%0.673SS**  trans-78.7102.8165-83.5177.4153.500108.7M1 L5M1-E3 PolarHBondContact O-N 3.33Å; E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 2.86Å
4Q32.3Very low44.8Very low187 Ų187131.6 Ų131.687%0.87469%0.694SS**  trans-66.196.9160.8-79.2175.3-23.700107.8S2 V6S2-Q4 PolarHBondContact O-N 3.29Å; Q4-V6 PolarHBondContact O-N 3.35Å
5L41.2Very low46.6Very low134 Ų134130.6 Ų130.670%0.70269%0.689SS**  trans-72110.6168.4-86.5138000108.6E3 T7E3-L5 VanDerWaalsContact C-N 3.34Å; E3-L5 PolarHBondContact O-N 2.86Å; L5-T7 PolarHBondContact O-N 2.89Å
6V35.7Very low49.1Very low129 Ų129125.7 Ų125.778%0.78268%0.68SS**  trans-54.2114.7175.1178.40000109.5Q4Q4-V6 PolarHBondContact O-N 3.35Å
7T36.7Very low51.8Low118 Ų118122.1 Ų122.172%0.72466%0.656SS**  trans-62122.3163.845.70000108L5 E9L5-T7 PolarHBondContact O-N 2.89Å; T7-E9 PolarHBondContact O-N 2.92Å
8P41.8Very low54.3Low72 Ų72117.8 Ų117.847%0.46863%0.633SS.*  trans-62.7127.7178.1-0.37.6000109.4N10 V11P8-N10 PolarHBondContact O-N 3.34Å; P8-V11 HydrophobicContact CG-CG2 4.31Å
9E45.6Very low56.7Low185 Ų185111.7 Ų111.786%0.86460%0.6SS**THydrogen-bonded Turntrans-63.211.5-174.7-72.2179.5148.400115.7T7T7-E9 PolarHBondContact O-N 2.92Å
10N51.7Low58.8Low129 Ų129106.2 Ų106.269%0.6957%0.57SS**THydrogen-bonded Turntrans-137.527.9-169.2-81.8-34.7000115.8P8P8-N10 PolarHBondContact O-N 3.34Å
11V61.5Low60.7Low26 Ų26101.1 Ų101.116%0.15854%0.543CS..  trans-86-18.9179.5-162.80000113.1P8 I18 N19 D22 L23P8-V11 HydrophobicContact CG-CG2 4.31Å; V11-I18 HydrophobicContact CG1-CG2 3.83Å; V11-N19 PolarHBondContact O-N 3.25Å; V11-D22 HydrophobicContact CG1-CB 3.87Å; V11-L23 HydrophobicContact CG1-CD2 3.82Å
12T52.5Low63.8Low85 Ų8590.2 Ų90.252%0.52149%0.489SS..BIsolated β-bridgetrans-81.8136.4-179.237.30000112.3K17 I18T12-K17 CarbonylContact C-O 3.56Å; T12-K17 WeakPolarHBondContact CA-O 3.38Å; T12-I18 HydrophobicContact CG2-CG1 4.22Å
13T63.6Low66.9Low22 Ų2285.1 Ų85.114%0.13545%0.453CS..  trans-80174.4176.268.80000110.7D15 G16 K17 N19 E76T13-D15 PolarHBondContact O-N 3.05Å; T13-G16 PolarHBondContact O-N 3.45Å; T13-K17 WeakPolarHBondContact CG2-O 3.41Å; T13-K17 PolarHBondContact N-O 3.1Å; T13-K17 PolarHBondContact OG1-N 2.7Å; T13-K17 PolarHBondContact OG1-O 3.36Å; T13-N19 HydrophobicContact CG2-CB 4.2Å; T13-E76 HydrophobicContact CG2-CG 4.24Å; T13-E76 WeakPolarHBondContact CG2-OE1 3.46Å
14K61.5Low69.8Low220 Ų22077.6 Ų77.696%0.95742%0.418SS*.THydrogen-bonded Turntrans-55.1-27.1177.9-73.8-172.1178.3-179.10113.2G16K14-G16 VanDerWaalsContact C-N 3.33Å
15D71.5Confident73Confident117 Ų11772.7 Ų72.763%0.62639%0.391SS*.THydrogen-bonded Turntrans-927.1179.5-52.9-40.6000112.7T13 K17 R78T13-D15 PolarHBondContact O-N 3.05Å; D15-K17 VanDerWaalsContact C-N 3.28Å; D15-K17 PolarHBondContact O-N 2.92Å; D15-R78 IonicContact OD2-NH2 3.84Å
16G86.5Confident75.7Confident52 Ų5271.9 Ų71.954%0.53638%0.384SS..SBendtrans78.13.9-178.800000115T13 K14T13-G16 PolarHBondContact O-N 3.45Å; K14-G16 VanDerWaalsContact C-N 3.33Å
17K95.5Very high78.7Confident64 Ų6468.7 Ų68.728%0.27836%0.361SS..  trans-81.8146.1178.5-63.3-171.7-178.1-172.30111.8T12 T13 D15 K72 V74 E76T12-K17 CarbonylContact C-O 3.56Å; T12-K17 WeakPolarHBondContact CA-O 3.38Å; T13-K17 WeakPolarHBondContact CG2-O 3.41Å; T13-K17 PolarHBondContact N-O 3.1Å; T13-K17 PolarHBondContact OG1-N 2.7Å; T13-K17 PolarHBondContact OG1-O 3.36Å; D15-K17 VanDerWaalsContact C-N 3.28Å; D15-K17 PolarHBondContact O-N 2.92Å; K17-K72 WeakPolarHBondContact CE-O 3.42Å; K17-K72 PolarHBondContact NZ-O 3.04Å; K17-V74 WeakPolarHBondContact CA-O 3.46Å; K17-E76 HydrophobicContact CB-CG 4.17Å; K17-E76 HydrophobicContact CD-CB 4.46Å
18I97.2Very high81.6Confident46 Ų4663 Ų6324%0.23633%0.326CS..EExtended strand (participates in β ladder)trans-81.7124.7173.6-68.7171.7000109.2V11 T12 L20 L23 F31 V74 A75 E76V11-I18 HydrophobicContact CG1-CG2 3.83Å; T12-I18 HydrophobicContact CG2-CG1 4.22Å; I18-L20 HydrophobicContact CG2-CD2 4.44Å; I18-L20 PolarHBondContact O-N 3.11Å; I18-L23 HydrophobicContact CG2-CD1 4.02Å; I18-L23 HydrophobicContact CG2-CG 4.48Å; I18-F31 HydrophobicContact CB-CE2 4.41Å; I18-F31 HydrophobicContact CD1-CD2 3.89Å; I18-F31 HydrophobicContact CD1-CE2 3.79Å; I18-F31 HydrophobicContact CG2-CE2 4.49Å; I18-V74 PolarHBondContact N-O 3.39Å; I18-A75 CarbonylContact O-C 3.55Å; I18-A75 WeakPolarHBondContact O-CA 3.43Å; I18-A75 WeakPolarHBondContact O-CB 3.47Å; I18-E76 PolarHBondContact O-N 3.2Å
19N98.3Very high84.3Confident2 Ų264 Ų641%0.01132%0.32CS..EExtended strand (participates in β ladder)trans-80.2115.4171.9-171.84.7000110V11 T13 L21 D22 E76 R78 S146V11-N19 PolarHBondContact O-N 3.25Å; T13-N19 HydrophobicContact CG2-CB 4.2Å; N19-L21 PolarHBondContact O-N 3.45Å; N19-L21 PolarHBondContact OD1-N 2.91Å; N19-D22 WeakPolarHBondContact O-CB 3.45Å; N19-D22 PolarHBondContact O-N 3.02Å; N19-E76 WeakPolarHBondContact CA-O 3.4Å; N19-E76 HydrophobicContact CB-CG 4.45Å; N19-E76 PolarHBondContact OD1-O 3.45Å; N19-R78 PolarHBondContact ND2-O 3.34Å; N19-R78 PolarHBondContact OD1-N 3.02Å; N19-S146 VanDerWaalsContact ND2-CB 3.32Å; N19-S146 WeakPolarHBondContact ND2-CB 3.42Å
20L98.7Very high86.8Confident0 Ų059.3 Ų59.30%030%0.299CS..G310 helixtrans-65-22.6-177.6-61.6-168.8000112.8I18 D22 L23 M28 F31 V45 M49 F57 A75 E76 I77I18-L20 HydrophobicContact CG2-CD2 4.44Å; I18-L20 PolarHBondContact O-N 3.11Å; L20-D22 PolarHBondContact O-N 3.42Å; L20-L23 HydrophobicContact CD2-CD1 4.15Å; L20-L23 PolarHBondContact O-N 3.04Å; L20-M28 HydrophobicContact CB-CE 3.79Å; L20-M28 HydrophobicContact CB-SD 4.46Å; L20-M28 HydrophobicContact CD1-SD 4.45Å; L20-M28 HydrophobicContact CD2-CE 4.28Å; L20-M28 HydrophobicContact CD2-SD 3.88Å; L20-M28 HydrophobicContact CG-CE 4.44Å; L20-M28 HydrophobicContact CG-SD 4.49Å; L20-M28 VanDerWaalsContact O-CE 3.29Å; L20-M28 WeakPolarHBondContact O-CE 3.4Å; L20-F31 HydrophobicContact CD2-CD1 4.08Å; L20-F31 HydrophobicContact CD2-CE1 3.72Å; L20-F31 HydrophobicContact CD2-CZ 4.16Å; L20-V45 HydrophobicContact CD1-CG1 3.8Å; L20-M49 HydrophobicContact CB-CE 3.68Å; L20-M49 HydrophobicContact CB-SD 3.92Å; L20-M49 HydrophobicContact CD1-SD 4.17Å; L20-F57 HydrophobicContact CD1-CE1 3.67Å; L20-F57 HydrophobicContact CD1-CZ 3.76Å; L20-F57 HydrophobicContact CG-CZ 4.48Å; L20-A75 HydrophobicContact CD1-CB 4.45Å; L20-A75 HydrophobicContact CD2-CB 3.79Å; L20-A75 HydrophobicContact CG-CB 4.05Å; L20-E76 PolarHBondContact N-O 2.97Å; L20-I77 HydrophobicContact CB-CG1 4.15Å; L20-I77 HydrophobicContact CD1-CG1 4.14Å; L20-I77 HydrophobicContact CG-CG1 4.4Å
21L98.6Very high89.1Confident0 Ų054 Ų540%027%0.269CS..G310 helixtrans-69.5-12.3174.4-68.4174.4000113.5N19 L23 M49 Y50 I77 A79 V145 S146 I149 W153N19-L21 PolarHBondContact O-N 3.45Å; N19-L21 PolarHBondContact OD1-N 2.91Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-M49 HydrophobicContact CD2-CE 3.73Å; L21-M49 HydrophobicContact CG-CE 4.23Å; L21-Y50 HydrophobicContact CD2-CE1 3.73Å; L21-I77 HydrophobicContact CD1-CG2 4.16Å; L21-I77 HydrophobicContact CD2-CG2 4.37Å; L21-I77 HydrophobicContact CG-CG2 4.05Å; L21-A79 HydrophobicContact CD1-CB 3.7Å; L21-V145 WeakPolarHBondContact O-CG1 3.42Å; L21-S146 WeakPolarHBondContact O-CA 3.44Å; L21-S146 PolarHBondContact O-N 3.3Å; L21-I149 HydrophobicContact CB-CG2 4.26Å; L21-I149 HydrophobicContact CD2-CG2 4.42Å; L21-I149 VanDerWaalsContact O-CG2 3.26Å; L21-I149 WeakPolarHBondContact O-CG2 3.45Å; L21-W153 HydrophobicContact CD2-CG 4.43Å
22D98.7Very high90.8Very high13 Ų1352.8 Ų52.87%0.0726%0.262CS..G310 helixtrans-86.2-5.4174.4-76.9-57.7000113.3V11 N19 L20 R144 V145 S146V11-D22 HydrophobicContact CG1-CB 3.87Å; N19-D22 WeakPolarHBondContact O-CB 3.45Å; N19-D22 PolarHBondContact O-N 3.02Å; L20-D22 PolarHBondContact O-N 3.42Å; D22-R144 IonicContact OD2-NH1 3.73Å; D22-V145 HydrophobicContact CB-CB 4.47Å; D22-V145 PolarHBondContact OD1-N 3.21Å; D22-S146 VanDerWaalsContact CG-CB 3.41Å; D22-S146 VanDerWaalsContact OD1-CB 3.22Å; D22-S146 WeakPolarHBondContact OD1-CB 3.41Å; D22-S146 PolarHBondContact OD1-N 3.18Å; D22-S146 PolarHBondContact OD1-OG 3.07Å; D22-S146 WeakPolarHBondContact OD2-CB 3.48Å; D22-S146 PolarHBondContact OD2-OG 3.01Å
23L98.6Very high92.9Very high13 Ų1354.5 Ų54.57%0.06826%0.262CS..  trans-107.9125.1-173-52.3-175.4000111.7V11 I18 L20 L21 Q27 M28 F31V11-L23 HydrophobicContact CG1-CD2 3.82Å; I18-L23 HydrophobicContact CG2-CD1 4.02Å; I18-L23 HydrophobicContact CG2-CG 4.48Å; L20-L23 HydrophobicContact CD2-CD1 4.15Å; L20-L23 PolarHBondContact O-N 3.04Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L23-Q27 HydrophobicContact CB-CB 4.01Å; L23-Q27 HydrophobicContact CD2-CB 4.08Å; L23-M28 HydrophobicContact CB-CB 4.48Å; L23-M28 HydrophobicContact CB-CE 3.79Å; L23-M28 HydrophobicContact CB-SD 4.46Å; L23-M28 HydrophobicContact CD1-CE 4.2Å; L23-M28 HydrophobicContact CD1-SD 3.96Å; L23-M28 HydrophobicContact CG-CE 4.46Å; L23-F31 HydrophobicContact CD1-CB 4Å; L23-F31 HydrophobicContact CD1-CG 4.19Å
24N98.5Very high94.5Very high15 Ų1559.7 Ų59.78%0.0829%0.289CS..  trans-70.9175.5163.773.917.7000111Q26 Q27 M28 P190 E193 I194N24-Q26 VanDerWaalsContact C-N 3.31Å; N24-Q26 PolarHBondContact O-N 3.45Å; N24-Q26 PolarHBondContact OD1-N 3.28Å; N24-Q26 VanDerWaalsContact OD1-N 3.07Å; N24-Q27 PolarHBondContact O-N 3.19Å; N24-Q27 WeakPolarHBondContact OD1-CB 3.42Å; N24-Q27 VanDerWaalsContact OD1-CG 3.3Å; N24-Q27 WeakPolarHBondContact OD1-CG 3.36Å; N24-Q27 PolarHBondContact OD1-N 3.45Å; N24-Q27 PolarHBondContact OD1-OE1 3.1Å; N24-M28 WeakPolarHBondContact O-CB 3.26Å; N24-M28 PolarHBondContact O-N 3.35Å; N24-P190 HydrophobicContact CB-CB 4.34Å; N24-E193 HydrophobicContact CB-CB 4.48Å; N24-E193 PolarHBondContact ND2-OE2 2.95Å; N24-I194 HydrophobicContact CB-CG1 4.33Å
25R98.6Very high96.2Very high84 Ų8450.5 Ų50.532%0.31725%0.25SS..Hα-helixtrans-58.7-39-177.6-174.9171.868.5-168.33113.7M28 R29 M46 D197R25-M28 PolarHBondContact O-N 3.33Å; R25-R29 WeakPolarHBondContact O-CG 3.23Å; R25-R29 PolarHBondContact O-N 3.13Å; R25-M46 HydrophobicContact CB-CE 4.11Å; R25-M46 HydrophobicContact CB-SD 3.77Å; R25-M46 HydrophobicContact CG-SD 3.91Å; R25-D197 VanDerWaalsContact CB-OD2 3.27Å; R25-D197 WeakPolarHBondContact CB-OD2 3.25Å; R25-D197 WeakPolarHBondContact CD-OD2 3.28Å; R25-D197 IonicContact CZ-OD1 3.72Å; R25-D197 IonicContact CZ-OD2 3.06Å; R25-D197 IonicContact NE-OD1 2.98Å; R25-D197 IonicContact NE-OD2 3.28Å; R25-D197 PolarHBondContact NE-OD2 3.12Å; R25-D197 IonicContact NH1-OD1 2.7Å; R25-D197 PolarHBondContact NH1-OD1 3.19Å; R25-D197 IonicContact NH1-OD2 2.74Å; R25-D197 PolarHBondContact NH1-OD2 3Å; R25-D197 VanDerWaalsContact NH1-OD2 3.12Å; R25-D197 IonicContact NH2-OD2 3.81Å
26Q98.5Very high97.4Very high117 Ų11748.2 Ų48.255%0.54726%0.255SS..Hα-helixtrans-65.8-47.3179.2178.8177.1-19.200111N24 M28 R29 E30N24-Q26 VanDerWaalsContact C-N 3.31Å; N24-Q26 PolarHBondContact O-N 3.45Å; N24-Q26 PolarHBondContact OD1-N 3.28Å; N24-Q26 VanDerWaalsContact OD1-N 3.07Å; Q26-M28 VanDerWaalsContact C-N 3.32Å; Q26-M28 PolarHBondContact O-N 3.37Å; Q26-R29 PolarHBondContact O-N 3.36Å; Q26-E30 PolarHBondContact O-N 3.35Å; Q26-E30 VanDerWaalsContact O-N 3.11Å
27Q98.4Very high97.9Very high62 Ų6248.2 Ų48.229%0.2924%0.241SC..Hα-helixtrans-64.5-37.3177.8-67165.4-31.900111.5L23 N24 R29 E30 F31L23-Q27 HydrophobicContact CB-CB 4.01Å; L23-Q27 HydrophobicContact CD2-CB 4.08Å; N24-Q27 PolarHBondContact O-N 3.19Å; N24-Q27 WeakPolarHBondContact OD1-CB 3.42Å; N24-Q27 VanDerWaalsContact OD1-CG 3.3Å; N24-Q27 WeakPolarHBondContact OD1-CG 3.36Å; N24-Q27 PolarHBondContact OD1-N 3.45Å; N24-Q27 PolarHBondContact OD1-OE1 3.1Å; Q27-R29 VanDerWaalsContact C-N 3.34Å; Q27-R29 PolarHBondContact O-N 3.18Å; Q27-E30 PolarHBondContact O-N 2.85Å; Q27-F31 WeakPolarHBondContact O-CB 3.36Å; Q27-F31 PolarHBondContact O-N 3.25Å
28M98.5Very high98Very high0 Ų052 Ų520%026%0.257CS..Hα-helixtrans-62.6-40.8174-163.967.372.100111.4L20 L23 N24 R25 Q26 F31 F32 A42 M46 M49L20-M28 HydrophobicContact CB-CE 3.79Å; L20-M28 HydrophobicContact CB-SD 4.46Å; L20-M28 HydrophobicContact CD1-SD 4.45Å; L20-M28 HydrophobicContact CD2-CE 4.28Å; L20-M28 HydrophobicContact CD2-SD 3.88Å; L20-M28 HydrophobicContact CG-CE 4.44Å; L20-M28 HydrophobicContact CG-SD 4.49Å; L20-M28 VanDerWaalsContact O-CE 3.29Å; L20-M28 WeakPolarHBondContact O-CE 3.4Å; L23-M28 HydrophobicContact CB-CB 4.48Å; L23-M28 HydrophobicContact CB-CE 3.79Å; L23-M28 HydrophobicContact CB-SD 4.46Å; L23-M28 HydrophobicContact CD1-CE 4.2Å; L23-M28 HydrophobicContact CD1-SD 3.96Å; L23-M28 HydrophobicContact CG-CE 4.46Å; N24-M28 WeakPolarHBondContact O-CB 3.26Å; N24-M28 PolarHBondContact O-N 3.35Å; R25-M28 PolarHBondContact O-N 3.33Å; Q26-M28 VanDerWaalsContact C-N 3.32Å; Q26-M28 PolarHBondContact O-N 3.37Å; M28-F31 WeakPolarHBondContact O-CB 3.5Å; M28-F31 PolarHBondContact O-N 2.86Å; M28-F31 HydrophobicContact SD-CD1 4.25Å; M28-F32 HydrophobicContact CG-CD2 4.04Å; M28-F32 HydrophobicContact CG-CE2 3.94Å; M28-F32 VanDerWaalsContact O-CD2 3.28Å; M28-F32 WeakPolarHBondContact O-CD2 3.21Å; M28-F32 PolarHBondContact O-N 3.4Å; M28-F32 HydrophobicContact SD-CD2 4.41Å; M28-F32 HydrophobicContact SD-CE2 3.96Å; M28-A42 HydrophobicContact CB-CB 3.94Å; M28-A42 HydrophobicContact CG-CB 3.55Å; M28-M46 HydrophobicContact CE-CG 4.48Å; M28-M46 HydrophobicContact CG-CG 4.35Å; M28-M49 HydrophobicContact CE-CE 4.37Å; M28-M49 HydrophobicContact CE-SD 4.36Å
29R98.5Very high98Very high91 Ų9153.1 Ų53.134%0.34327%0.268SS..Hα-helixtrans-65.3-41.5176.9-75.9176.8173.9-164.2-2.5112.6R25 Q26 Q27 F32 K33 P39 A42 D43R25-R29 WeakPolarHBondContact O-CG 3.23Å; R25-R29 PolarHBondContact O-N 3.13Å; Q26-R29 PolarHBondContact O-N 3.36Å; Q27-R29 VanDerWaalsContact C-N 3.34Å; Q27-R29 PolarHBondContact O-N 3.18Å; R29-F32 PolarHBondContact O-N 2.92Å; R29-K33 WeakPolarHBondContact O-CB 3.49Å; R29-K33 PolarHBondContact O-N 3.22Å; R29-P39 HydrophobicContact CG-CB 4.21Å; R29-A42 HydrophobicContact CG-CB 3.71Å; R29-D43 IonicContact CZ-OD1 3.66Å; R29-D43 IonicContact NE-OD1 3.12Å; R29-D43 PolarHBondContact NE-OD1 2.89Å; R29-D43 IonicContact NH2-OD1 3.27Å; R29-D43 PolarHBondContact NH2-OD1 3.26Å; R29-D43 VanDerWaalsContact NH2-OD1 3.12Å; R29-D43 IonicContact NH2-OD2 3.12Å; R29-D43 PolarHBondContact NH2-OD2 2.89Å
30E98.2Very high98Very high88 Ų8857.6 Ų57.641%0.41129%0.287SS..Hα-helixtrans-65.6-41.8173.4-67.8-55.7126.300111.2Q26 Q27 F32 K33 D34Q26-E30 PolarHBondContact O-N 3.35Å; Q26-E30 VanDerWaalsContact O-N 3.11Å; Q27-E30 PolarHBondContact O-N 2.85Å; E30-F32 PolarHBondContact O-N 3.46Å; E30-K33 WeakPolarHBondContact O-CB 3.41Å; E30-K33 PolarHBondContact O-N 3.49Å; E30-K33 VanDerWaalsContact O-N 3.1Å; E30-K33 IonicContact OE1-NZ 3.71Å; E30-K33 WeakPolarHBondContact OE2-CD 3.35Å; E30-K33 IonicContact OE2-NZ 2.86Å; E30-K33 PolarHBondContact OE2-NZ 3Å; E30-D34 PolarHBondContact O-N 3.48Å
31F98.2Very high98Very high17 Ų1759.4 Ų59.48%0.07529%0.294CS..Hα-helixtrans-55.6-47.3173.8170.1-105.3000112.2I18 L20 L23 Q27 M28 K33 D34 L35 L71 V74 A75I18-F31 HydrophobicContact CB-CE2 4.41Å; I18-F31 HydrophobicContact CD1-CD2 3.89Å; I18-F31 HydrophobicContact CD1-CE2 3.79Å; I18-F31 HydrophobicContact CG2-CE2 4.49Å; L20-F31 HydrophobicContact CD2-CD1 4.08Å; L20-F31 HydrophobicContact CD2-CE1 3.72Å; L20-F31 HydrophobicContact CD2-CZ 4.16Å; L23-F31 HydrophobicContact CD1-CB 4Å; L23-F31 HydrophobicContact CD1-CG 4.19Å; Q27-F31 WeakPolarHBondContact O-CB 3.36Å; Q27-F31 PolarHBondContact O-N 3.25Å; M28-F31 WeakPolarHBondContact O-CB 3.5Å; M28-F31 PolarHBondContact O-N 2.86Å; M28-F31 HydrophobicContact SD-CD1 4.25Å; F31-K33 VanDerWaalsContact C-N 3.34Å; F31-K33 PolarHBondContact O-N 3.07Å; F31-D34 PolarHBondContact O-N 3.07Å; F31-L35 HydrophobicContact CD1-CD1 4.42Å; F31-L35 HydrophobicContact CE1-CD1 3.74Å; F31-L35 HydrophobicContact CE2-CD1 4.17Å; F31-L35 HydrophobicContact CE2-CG 4.43Å; F31-L35 HydrophobicContact CZ-CD1 3.61Å; F31-L35 HydrophobicContact CZ-CG 4.34Å; F31-L35 WeakPolarHBondContact O-CG 3.13Å; F31-L35 PolarHBondContact O-N 3.19Å; F31-L71 HydrophobicContact CE1-CD2 3.95Å; F31-L71 HydrophobicContact CZ-CD2 4.36Å; F31-V74 HydrophobicContact CE2-CG2 4.3Å; F31-V74 HydrophobicContact CZ-CG2 3.9Å; F31-A75 HydrophobicContact CE1-CB 4.43Å; F31-A75 HydrophobicContact CZ-CB 3.84Å
32F98.2Very high98Very high0 Ų059.4 Ų59.40%029%0.294CS..Hα-helixtrans-66.6-34.4176.9-86.2-78.2000113.2M28 R29 E30 L35 G36 E37 R41 A42 V45 L67 L71M28-F32 HydrophobicContact CG-CD2 4.04Å; M28-F32 HydrophobicContact CG-CE2 3.94Å; M28-F32 VanDerWaalsContact O-CD2 3.28Å; M28-F32 WeakPolarHBondContact O-CD2 3.21Å; M28-F32 PolarHBondContact O-N 3.4Å; M28-F32 HydrophobicContact SD-CD2 4.41Å; M28-F32 HydrophobicContact SD-CE2 3.96Å; R29-F32 PolarHBondContact O-N 2.92Å; E30-F32 PolarHBondContact O-N 3.46Å; F32-L35 CarbonylContact O-C 3.6Å; F32-L35 PolarHBondContact O-N 3.03Å; F32-G36 PolarHBondContact O-N 3.45Å; F32-E37 HydrophobicContact CB-CB 4.31Å; F32-E37 HydrophobicContact CD1-CB 3.93Å; F32-E37 HydrophobicContact CD1-CG 4.38Å; F32-E37 WeakPolarHBondContact O-CB 3.36Å; F32-E37 PolarHBondContact O-N 3.02Å; F32-R41 HydrophobicContact CD1-CB 3.51Å; F32-R41 HydrophobicContact CD1-CG 4.42Å; F32-R41 HydrophobicContact CD2-CB 4.49Å; F32-R41 HydrophobicContact CE1-CB 3.72Å; F32-R41 HydrophobicContact CG-CB 3.95Å; F32-R41 HydrophobicContact CZ-CB 4.34Å; F32-A42 HydrophobicContact CD2-CB 3.8Å; F32-A42 HydrophobicContact CE2-CB 4.32Å; F32-V45 HydrophobicContact CE2-CB 4.32Å; F32-V45 HydrophobicContact CE2-CG2 4.32Å; F32-V45 HydrophobicContact CZ-CB 4.16Å; F32-V45 HydrophobicContact CZ-CG2 3.69Å; F32-L67 HydrophobicContact CE1-CD1 4.24Å; F32-L67 HydrophobicContact CE1-CD2 4.38Å; F32-L71 HydrophobicContact CE1-CD1 4.4Å; F32-L71 HydrophobicContact CE1-CD2 3.95Å; F32-L71 HydrophobicContact CZ-CD1 4.31Å; F32-L71 HydrophobicContact CZ-CD2 3.87Å
33K97.5Very high98Very high121 Ų12159.9 Ų59.953%0.52630%0.296SS..Hα-helixtrans-64.5-40175.3179.1-172.6165.9-161.40111.6R29 E30 F31 L35 G36R29-K33 WeakPolarHBondContact O-CB 3.49Å; R29-K33 PolarHBondContact O-N 3.22Å; E30-K33 WeakPolarHBondContact O-CB 3.41Å; E30-K33 PolarHBondContact O-N 3.49Å; E30-K33 VanDerWaalsContact O-N 3.1Å; E30-K33 IonicContact OE1-NZ 3.71Å; E30-K33 WeakPolarHBondContact OE2-CD 3.35Å; E30-K33 IonicContact OE2-NZ 2.86Å; E30-K33 PolarHBondContact OE2-NZ 3Å; F31-K33 VanDerWaalsContact C-N 3.34Å; F31-K33 PolarHBondContact O-N 3.07Å; K33-L35 PolarHBondContact O-N 3.43Å; K33-G36 WeakPolarHBondContact O-CA 3.42Å; K33-G36 PolarHBondContact O-N 3.08Å
34D96.8Very high97.9Very high132 Ų13260.7 Ų60.771%0.70630%0.3SS*.Hα-helixtrans-65.1-27175.1-67.7-17000112.2E30 F31 G36E30-D34 PolarHBondContact O-N 3.48Å; F31-D34 PolarHBondContact O-N 3.07Å; D34-G36 VanDerWaalsContact C-N 3.25Å; D34-G36 PolarHBondContact O-N 3.27Å
35L96.4Very high97.9Very high26 Ų2660 Ų6014%0.13630%0.296CS..THydrogen-bonded Turntrans-80.50170.6-57.7-179.2000113.6F31 F32 K33 E37 K70 L71 V74F31-L35 HydrophobicContact CD1-CD1 4.42Å; F31-L35 HydrophobicContact CE1-CD1 3.74Å; F31-L35 HydrophobicContact CE2-CD1 4.17Å; F31-L35 HydrophobicContact CE2-CG 4.43Å; F31-L35 HydrophobicContact CZ-CD1 3.61Å; F31-L35 HydrophobicContact CZ-CG 4.34Å; F31-L35 WeakPolarHBondContact O-CG 3.13Å; F31-L35 PolarHBondContact O-N 3.19Å; F32-L35 CarbonylContact O-C 3.6Å; F32-L35 PolarHBondContact O-N 3.03Å; K33-L35 PolarHBondContact O-N 3.43Å; L35-E37 VanDerWaalsContact C-N 3.31Å; L35-E37 HydrophobicContact CB-CG 4.49Å; L35-K70 HydrophobicContact CB-CD 4.49Å; L35-K70 PolarHBondContact O-NZ 2.7Å; L35-L71 HydrophobicContact CD1-CD2 4.24Å; L35-V74 HydrophobicContact CD1-CG2 4.15Å; L35-V74 HydrophobicContact CD2-CG2 3.98Å
36G97.2Very high98Very high70 Ų7056 Ų5672%0.72228%0.281SS*.THydrogen-bonded Turntrans74.418.7-176.700000114F32 K33 D34F32-G36 PolarHBondContact O-N 3.45Å; K33-G36 WeakPolarHBondContact O-CA 3.42Å; K33-G36 PolarHBondContact O-N 3.08Å; D34-G36 VanDerWaalsContact C-N 3.25Å; D34-G36 PolarHBondContact O-N 3.27Å
37E97.8Very high98Very high52 Ų5254.7 Ų54.724%0.24327%0.273CS..  trans-100.2157.6-179.2-71.2-72172.900112.1F32 L35 R41 L67F32-E37 HydrophobicContact CB-CB 4.31Å; F32-E37 HydrophobicContact CD1-CB 3.93Å; F32-E37 HydrophobicContact CD1-CG 4.38Å; F32-E37 WeakPolarHBondContact O-CB 3.36Å; F32-E37 PolarHBondContact O-N 3.02Å; L35-E37 VanDerWaalsContact C-N 3.31Å; L35-E37 HydrophobicContact CB-CG 4.49Å; E37-R41 HydrophobicContact CB-CG 4.23Å; E37-R41 IonicContact OE2-NE 3.98Å; E37-L67 HydrophobicContact CG-CD1 3.68Å; E37-L67 HydrophobicContact CG-CD2 4.16Å
38K97.4Very high98Very high144 Ų14453.6 Ų53.663%0.62627%0.267SS*.  trans-71.9143.9178.7-69.1178.7175.6-178.20110.9F40 R41K38-F40 HydrophobicContact CB-CD1 3.59Å; K38-F40 HydrophobicContact CB-CE1 3.47Å; K38-F40 VanDerWaalsContact CB-CE1 3.47Å; K38-F40 HydrophobicContact CD-CD1 4.36Å; K38-F40 HydrophobicContact CD-CE1 3.67Å; K38-F40 HydrophobicContact CG-CE1 4.18Å; K38-F40 PolarHBondContact O-N 3.35Å; K38-R41 WeakPolarHBondContact O-CB 3.49Å; K38-R41 WeakPolarHBondContact O-CG 3.41Å; K38-R41 PolarHBondContact O-N 3.4Å
39P96.9Very high98Very high69 Ų6953.6 Ų53.645%0.44827%0.267SS..THydrogen-bonded Turntrans-55.9-29.9-174.7-29.135.1000115.9R29 R41 A42R29-P39 HydrophobicContact CG-CB 4.21Å; P39-R41 PolarHBondContact O-N 2.76Å; P39-R41 VanDerWaalsContact O-N 3.12Å; P39-A42 VanDerWaalsContact O-CB 3.26Å; P39-A42 WeakPolarHBondContact O-CB 3.46Å; P39-A42 PolarHBondContact O-N 2.98Å; P39-A42 VanDerWaalsContact O-N 3.08Å
40F97.8Very high98Very high95 Ų9549.5 Ų49.542%0.41725%0.251SS..Hα-helixtrans-65-15.1179.477.6-94.8000113.6K38 A42 D43 Q44K38-F40 HydrophobicContact CB-CD1 3.59Å; K38-F40 HydrophobicContact CB-CE1 3.47Å; K38-F40 VanDerWaalsContact CB-CE1 3.47Å; K38-F40 HydrophobicContact CD-CD1 4.36Å; K38-F40 HydrophobicContact CD-CE1 3.67Å; K38-F40 HydrophobicContact CG-CE1 4.18Å; K38-F40 PolarHBondContact O-N 3.35Å; F40-A42 PolarHBondContact O-N 3Å; F40-D43 WeakPolarHBondContact O-CB 3.49Å; F40-D43 PolarHBondContact O-N 3.2Å; F40-Q44 HydrophobicContact CD2-CG 4.35Å; F40-Q44 PolarHBondContact O-N 2.88Å; F40-Q44 VanDerWaalsContact O-N 3.12Å
41R98.2Very high98Very high39 Ų3947.1 Ų47.115%0.14724%0.24CC..Hα-helixtrans-63-33.1172.3-66.7-55.2-168.4-175.6-2.9111.9F32 E37 K38 P39 D43 Q44 V45 D62 L67F32-R41 HydrophobicContact CD1-CB 3.51Å; F32-R41 HydrophobicContact CD1-CG 4.42Å; F32-R41 HydrophobicContact CD2-CB 4.49Å; F32-R41 HydrophobicContact CE1-CB 3.72Å; F32-R41 HydrophobicContact CG-CB 3.95Å; F32-R41 HydrophobicContact CZ-CB 4.34Å; E37-R41 HydrophobicContact CB-CG 4.23Å; E37-R41 IonicContact OE2-NE 3.98Å; K38-R41 WeakPolarHBondContact O-CB 3.49Å; K38-R41 WeakPolarHBondContact O-CG 3.41Å; K38-R41 PolarHBondContact O-N 3.4Å; P39-R41 PolarHBondContact O-N 2.76Å; P39-R41 VanDerWaalsContact O-N 3.12Å; R41-D43 VanDerWaalsContact C-N 3.35Å; R41-Q44 PolarHBondContact O-N 2.93Å; R41-V45 PolarHBondContact O-N 3.12Å; R41-D62 PolarHBondContact NH1-O 3.28Å; R41-L67 HydrophobicContact CB-CD2 4.38Å; R41-L67 HydrophobicContact CG-CD2 3.85Å
42A98.5Very high98Very high0 Ų051 Ų510%026%0.255CS..Hα-helixtrans-57.5-50.2171.100000110.7M28 R29 F32 P39 F40 Q44 V45 M46M28-A42 HydrophobicContact CB-CB 3.94Å; M28-A42 HydrophobicContact CG-CB 3.55Å; R29-A42 HydrophobicContact CG-CB 3.71Å; F32-A42 HydrophobicContact CD2-CB 3.8Å; F32-A42 HydrophobicContact CE2-CB 4.32Å; P39-A42 VanDerWaalsContact O-CB 3.26Å; P39-A42 WeakPolarHBondContact O-CB 3.46Å; P39-A42 PolarHBondContact O-N 2.98Å; P39-A42 VanDerWaalsContact O-N 3.08Å; F40-A42 PolarHBondContact O-N 3Å; A42-Q44 VanDerWaalsContact C-N 3.3Å; A42-Q44 PolarHBondContact O-N 3.27Å; A42-V45 PolarHBondContact O-N 3.33Å; A42-M46 WeakPolarHBondContact O-CB 3.21Å; A42-M46 VanDerWaalsContact O-CG 3.31Å; A42-M46 WeakPolarHBondContact O-CG 3.32Å; A42-M46 PolarHBondContact O-N 3.12Å
43D98.4Very high98Very high22 Ų2251.1 Ų51.112%0.11826%0.256CS..Hα-helixtrans-62.1-36.7-178.3-54.4-3.6000111.5R29 F40 R41 K47 F199R29-D43 IonicContact CZ-OD1 3.66Å; R29-D43 IonicContact NE-OD1 3.12Å; R29-D43 PolarHBondContact NE-OD1 2.89Å; R29-D43 IonicContact NH2-OD1 3.27Å; R29-D43 PolarHBondContact NH2-OD1 3.26Å; R29-D43 VanDerWaalsContact NH2-OD1 3.12Å; R29-D43 IonicContact NH2-OD2 3.12Å; R29-D43 PolarHBondContact NH2-OD2 2.89Å; F40-D43 WeakPolarHBondContact O-CB 3.49Å; F40-D43 PolarHBondContact O-N 3.2Å; R41-D43 VanDerWaalsContact C-N 3.35Å; D43-K47 VanDerWaalsContact O-CG 3.31Å; D43-K47 WeakPolarHBondContact O-CG 3.37Å; D43-K47 PolarHBondContact O-N 2.79Å; D43-F199 HydrophobicContact CB-CD1 4.25Å; D43-F199 HydrophobicContact CB-CD2 3.76Å; D43-F199 HydrophobicContact CB-CE1 4.17Å; D43-F199 HydrophobicContact CB-CE2 3.66Å; D43-F199 HydrophobicContact CB-CG 4.05Å; D43-F199 HydrophobicContact CB-CZ 3.87Å; D43-F199 WeakPolarHBondContact OD2-CE2 3.3Å
44Q98.3Very high98Very high31 Ų3145.5 Ų45.515%0.14523%0.231CC..Hα-helixtrans-66.8-49.4174.7-70.2-174.2-70.900112.5F40 R41 A42 M46 K47 W48 D62F40-Q44 HydrophobicContact CD2-CG 4.35Å; F40-Q44 PolarHBondContact O-N 2.88Å; F40-Q44 VanDerWaalsContact O-N 3.12Å; R41-Q44 PolarHBondContact O-N 2.93Å; A42-Q44 VanDerWaalsContact C-N 3.3Å; A42-Q44 PolarHBondContact O-N 3.27Å; Q44-M46 VanDerWaalsContact C-N 3.35Å; Q44-M46 PolarHBondContact O-N 3.28Å; Q44-K47 WeakPolarHBondContact O-CB 3.45Å; Q44-K47 PolarHBondContact O-N 3.21Å; Q44-W48 VanDerWaalsContact O-CD1 3.29Å; Q44-W48 PolarHBondContact O-N 3.41Å; Q44-W48 VanDerWaalsContact O-N 3.16Å; Q44-D62 VanDerWaalsContact NE2-CG 3.26Å; Q44-D62 PolarHBondContact NE2-O 3.12Å; Q44-D62 PolarHBondContact NE2-OD2 2.73Å
45V98.6Very high98.1Very high0 Ų042.1 Ų42.10%021%0.214CC..Hα-helixtrans-65.4-40.6-178.4170.10000111L20 F32 R41 A42 K47 W48 M49 M60 I63 L71L20-V45 HydrophobicContact CD1-CG1 3.8Å; F32-V45 HydrophobicContact CE2-CB 4.32Å; F32-V45 HydrophobicContact CE2-CG2 4.32Å; F32-V45 HydrophobicContact CZ-CB 4.16Å; F32-V45 HydrophobicContact CZ-CG2 3.69Å; R41-V45 PolarHBondContact O-N 3.12Å; A42-V45 PolarHBondContact O-N 3.33Å; V45-K47 VanDerWaalsContact C-N 3.35Å; V45-K47 PolarHBondContact O-N 3.4Å; V45-W48 PolarHBondContact O-N 2.88Å; V45-M49 HydrophobicContact CG1-CG 4.26Å; V45-M49 HydrophobicContact CG1-SD 3.61Å; V45-M49 VanDerWaalsContact O-CG 3.28Å; V45-M49 WeakPolarHBondContact O-CG 3.31Å; V45-M49 PolarHBondContact O-N 3.21Å; V45-M60 HydrophobicContact CG1-CE 4.22Å; V45-M60 HydrophobicContact CG1-SD 4.32Å; V45-M60 HydrophobicContact CG2-SD 3.97Å; V45-I63 HydrophobicContact CG2-CD1 3.32Å; V45-L71 HydrophobicContact CG2-CD1 4.2Å
46M98.8Very high98.2Very high0 Ų043.6 Ų43.60%022%0.221CC..Hα-helixtrans-58.8-43.7173.5-73-174.574.400112R25 M28 A42 Q44 W48 M49 Y50 F199R25-M46 HydrophobicContact CB-CE 4.11Å; R25-M46 HydrophobicContact CB-SD 3.77Å; R25-M46 HydrophobicContact CG-SD 3.91Å; M28-M46 HydrophobicContact CE-CG 4.48Å; M28-M46 HydrophobicContact CG-CG 4.35Å; A42-M46 WeakPolarHBondContact O-CB 3.21Å; A42-M46 VanDerWaalsContact O-CG 3.31Å; A42-M46 WeakPolarHBondContact O-CG 3.32Å; A42-M46 PolarHBondContact O-N 3.12Å; Q44-M46 VanDerWaalsContact C-N 3.35Å; Q44-M46 PolarHBondContact O-N 3.28Å; M46-W48 PolarHBondContact O-N 3.42Å; M46-M49 PolarHBondContact O-N 2.81Å; M46-Y50 HydrophobicContact CB-CD2 4.08Å; M46-Y50 HydrophobicContact CB-CE2 4.22Å; M46-Y50 HydrophobicContact CE-CD2 4.3Å; M46-Y50 HydrophobicContact CE-CE2 3.91Å; M46-Y50 HydrophobicContact CG-CE2 4.16Å; M46-Y50 WeakPolarHBondContact O-CD2 3.46Å; M46-Y50 PolarHBondContact O-N 2.85Å; M46-F199 CarbonylContact C-O 3.45Å; M46-F199 VanDerWaalsContact C-O 3.24Å; M46-F199 HydrophobicContact CB-CB 3.9Å
47K98.5Very high98.2Very high89 Ų8940.7 Ų40.739%0.38719%0.189SC..Hα-helixtrans-57.3-46.9174.9-75.9173.9-178.6-179.40111.9D43 Q44 V45 H51 F199D43-K47 VanDerWaalsContact O-CG 3.31Å; D43-K47 WeakPolarHBondContact O-CG 3.37Å; D43-K47 PolarHBondContact O-N 2.79Å; Q44-K47 WeakPolarHBondContact O-CB 3.45Å; Q44-K47 PolarHBondContact O-N 3.21Å; V45-K47 VanDerWaalsContact C-N 3.35Å; V45-K47 PolarHBondContact O-N 3.4Å; K47-H51 WeakPolarHBondContact O-CA 3.14Å; K47-H51 WeakPolarHBondContact O-CB 3.42Å; K47-H51 PolarHBondContact O-N 3.25Å; K47-F199 HydrophobicContact CD-CD1 4.15Å; K47-F199 HydrophobicContact CG-CB 4.46Å; K47-F199 HydrophobicContact CG-CD1 3.88Å
48W98.6Very high98.3Very high39 Ų3941.8 Ų41.815%0.14820%0.197CC..Hα-helixtrans-59.6-48.3175.5-79.2105.5000111.7Q44 V45 M46 Y50 Y52 C53 C54 E59 M60 T61 D62Q44-W48 VanDerWaalsContact O-CD1 3.29Å; Q44-W48 PolarHBondContact O-N 3.41Å; Q44-W48 VanDerWaalsContact O-N 3.16Å; V45-W48 PolarHBondContact O-N 2.88Å; M46-W48 PolarHBondContact O-N 3.42Å; W48-Y50 PolarHBondContact O-N 2.75Å; W48-Y52 HydrophobicContact CE3-CD2 4.2Å; W48-Y52 HydrophobicContact CE3-CG 4.19Å; W48-Y52 HydrophobicContact CZ3-CG 4.39Å; W48-Y52 WeakPolarHBondContact O-CB 3.43Å; W48-Y52 PolarHBondContact O-N 3.41Å; W48-C53 PolarHBondContact O-N 2.94Å; W48-C54 HydrophobicContact CB-CB 4.16Å; W48-C54 HydrophobicContact CE3-CB 4.19Å; W48-C54 WeakPolarHBondContact O-CB 3.31Å; W48-C54 PolarHBondContact O-N 2.69Å; W48-E59 WeakPolarHBondContact CH2-O 3.5Å; W48-E59 WeakPolarHBondContact CZ3-O 3.33Å; W48-M60 HydrophobicContact CB-CE 3.85Å; W48-M60 HydrophobicContact CB-CG 3.89Å; W48-M60 HydrophobicContact CB-SD 4.02Å; W48-M60 HydrophobicContact CD2-CB 4.18Å; W48-M60 HydrophobicContact CD2-CG 3.96Å; W48-M60 HydrophobicContact CG-CB 4.05Å; W48-M60 HydrophobicContact CG-CG 3.59Å; W48-M60 HydrophobicContact CG-SD 4.16Å; W48-T61 WeakPolarHBondContact CZ2-OG1 3.27Å; W48-D62 PolarHBondContact NE1-OD1 3.18Å
49M98.6Very high98.3Very high0 Ų039.4 Ų39.40%019%0.188CC..Hα-helixtrans-57.9-50.6179.8-72.1165.563.200111.9L20 L21 M28 V45 M46 C53 I77 W153L20-M49 HydrophobicContact CB-CE 3.68Å; L20-M49 HydrophobicContact CB-SD 3.92Å; L20-M49 HydrophobicContact CD1-SD 4.17Å; L21-M49 HydrophobicContact CD2-CE 3.73Å; L21-M49 HydrophobicContact CG-CE 4.23Å; M28-M49 HydrophobicContact CE-CE 4.37Å; M28-M49 HydrophobicContact CE-SD 4.36Å; V45-M49 HydrophobicContact CG1-CG 4.26Å; V45-M49 HydrophobicContact CG1-SD 3.61Å; V45-M49 VanDerWaalsContact O-CG 3.28Å; V45-M49 WeakPolarHBondContact O-CG 3.31Å; V45-M49 PolarHBondContact O-N 3.21Å; M46-M49 PolarHBondContact O-N 2.81Å; M49-C53 WeakPolarHBondContact O-CA 3.43Å; M49-C53 PolarHBondContact O-N 2.97Å; M49-I77 HydrophobicContact CE-CG1 4.41Å; M49-I77 HydrophobicContact CG-CD1 3.58Å; M49-I77 HydrophobicContact CG-CG1 4.08Å; M49-I77 HydrophobicContact CG-CG2 4.42Å; M49-I77 HydrophobicContact SD-CD1 4.16Å; M49-I77 HydrophobicContact SD-CG1 4.21Å; M49-W153 VanDerWaalsContact O-CD1 3.3Å; M49-W153 PolarHBondContact O-NE1 2.8Å
50Y98.6Very high98.3Very high5 Ų536.2 Ų36.22%0.0217%0.167CC..Hα-helixtrans-103.5-31.4-165.7-57.8-65.8000114.1L21 M46 W48 I149 I194 F201L21-Y50 HydrophobicContact CD2-CE1 3.73Å; M46-Y50 HydrophobicContact CB-CD2 4.08Å; M46-Y50 HydrophobicContact CB-CE2 4.22Å; M46-Y50 HydrophobicContact CE-CD2 4.3Å; M46-Y50 HydrophobicContact CE-CE2 3.91Å; M46-Y50 HydrophobicContact CG-CE2 4.16Å; M46-Y50 WeakPolarHBondContact O-CD2 3.46Å; M46-Y50 PolarHBondContact O-N 2.85Å; W48-Y50 PolarHBondContact O-N 2.75Å; Y50-I149 HydrophobicContact CE1-CG1 4.19Å; Y50-I194 HydrophobicContact CD1-CG2 4.18Å; Y50-I194 HydrophobicContact CD2-CG2 4.24Å; Y50-I194 HydrophobicContact CE1-CG2 3.68Å; Y50-I194 HydrophobicContact CE2-CG2 3.75Å; Y50-I194 HydrophobicContact CG-CG2 4.44Å; Y50-I194 VanDerWaalsContact CZ-CG2 3.44Å; Y50-F201 HydrophobicContact CD1-CD2 4.35Å; Y50-F201 AromaticContact CD1-CE2 3.66Å; Y50-F201 HydrophobicContact CD1-CE2 3.66Å; Y50-F201 AromaticContact CD1-CZ 3.84Å; Y50-F201 HydrophobicContact CD1-CZ 3.84Å; Y50-F201 HydrophobicContact CE1-CE2 4.25Å; Y50-F201 HydrophobicContact CG-CE2 4.48Å
51H98.3Very high98.3Very high38 Ų3837 Ų3718%0.17618%0.18CC..Hα-helixtrans-82.6-29.7178.7-61.2-170000112K47 A162 K163 D198 G200K47-H51 WeakPolarHBondContact O-CA 3.14Å; K47-H51 WeakPolarHBondContact O-CB 3.42Å; K47-H51 PolarHBondContact O-N 3.25Å; H51-A162 PolarHBondContact O-N 3.15Å; H51-K163 HydrophobicContact CB-CG 3.81Å; H51-K163 PolarHBondContact O-N 3.47Å; H51-K163 VanDerWaalsContact O-N 3.08Å; H51-D198 PolarHBondContact CE1-O 2.85Å; H51-D198 VanDerWaalsContact CE1-O 3.27Å; H51-D198 PolarHBondContact NE2-O 3.43Å; H51-G200 PolarHBondContact CD2-O 2.98Å; H51-G200 PolarHBondContact NE2-O 3.25Å; H51-G200 VanDerWaalsContact NE2-O 3.08Å
52Y98.2Very high98.2Very high99 Ų9938.9 Ų38.939%0.38819%0.192SC..SBendtrans-111.7-6.4-178.6-62.6-93.5000113.7W48 C54 K163W48-Y52 HydrophobicContact CE3-CD2 4.2Å; W48-Y52 HydrophobicContact CE3-CG 4.19Å; W48-Y52 HydrophobicContact CZ3-CG 4.39Å; W48-Y52 WeakPolarHBondContact O-CB 3.43Å; W48-Y52 PolarHBondContact O-N 3.41Å; Y52-C54 PolarHBondContact O-N 2.95Å; Y52-K163 HydrophobicContact CD1-CB 3.7Å; Y52-K163 HydrophobicContact CD2-CB 4.3Å; Y52-K163 HydrophobicContact CE1-CB 3.32Å; Y52-K163 HydrophobicContact CE1-CG 4.2Å; Y52-K163 HydrophobicContact CE2-CB 3.97Å; Y52-K163 HydrophobicContact CE2-CG 4Å; Y52-K163 HydrophobicContact CG-CB 4.17Å; Y52-K163 VanDerWaalsContact CZ-CB 3.47Å
53C98.3Very high98.2Very high3 Ų339.1 Ų39.12%0.0219%0.194CC..  trans54.839.8-172.7-66.40000112.4W48 M49 W153 K157 A161W48-C53 PolarHBondContact O-N 2.94Å; M49-C53 WeakPolarHBondContact O-CA 3.43Å; M49-C53 PolarHBondContact O-N 2.97Å; C53-W153 HydrophobicContact CB-CZ2 4.31Å; C53-W153 WeakPolarHBondContact O-CZ2 3.36Å; C53-K157 HydrophobicContact CB-CB 3.72Å; C53-K157 HydrophobicContact CB-CD 4.11Å; C53-K157 HydrophobicContact CB-CG 3.86Å; C53-K157 PolarHBondContact O-NZ 2.64Å; C53-K157 PolarHBondContact SG-N 2.7Å; C53-A161 HydrophobicContact CB-CB 4.03Å
54C98.4Very high98.1Very high2 Ų241.3 Ų41.31%0.01421%0.205CC..  trans-85.4125.5-179.8-1760000110.8W48 Y52 N56 E59W48-C54 HydrophobicContact CB-CB 4.16Å; W48-C54 HydrophobicContact CE3-CB 4.19Å; W48-C54 WeakPolarHBondContact O-CB 3.31Å; W48-C54 PolarHBondContact O-N 2.69Å; Y52-C54 PolarHBondContact O-N 2.95Å; C54-N56 PolarHBondContact SG-O 2.69Å; C54-E59 PolarHBondContact SG-OE2 3.34Å; C54-E59 VanDerWaalsContact SG-OE2 3.4Å
55D98.1Very high98.1Very high62 Ų6248.3 Ų48.333%0.33224%0.235SC..  trans-111.94.8175.546.2-4.8000112.6I77 W153 K157D55-I77 HydrophobicContact CB-CB 4.24Å; D55-I77 HydrophobicContact CB-CG2 4Å; D55-W153 HydrophobicContact CB-CH2 3.83Å; D55-W153 HydrophobicContact CB-CZ2 3.79Å; D55-W153 WeakPolarHBondContact OD2-CH2 3.49Å; D55-K157 IonicContact OD1-NZ 3.24Å; D55-K157 PolarHBondContact OD1-NZ 3.03Å; D55-K157 IonicContact OD2-NZ 3.48Å; D55-K157 PolarHBondContact OD2-NZ 2.69Å
56N98.3Very high98Very high56 Ų5654.1 Ų54.130%0.29927%0.27SS..  trans-124112.4-175.2179.38.4000111.7C54 D58 E59C54-N56 PolarHBondContact SG-O 2.69Å; N56-D58 PolarHBondContact O-N 3.08Å; N56-D58 WeakPolarHBondContact OD1-CB 3.11Å; N56-D58 PolarHBondContact OD1-N 3.22Å; N56-E59 HydrophobicContact CB-CG 4.31Å; N56-E59 WeakPolarHBondContact CB-OE1 3.49Å; N56-E59 PolarHBondContact ND2-OE1 3.12Å; N56-E59 PolarHBondContact O-N 3.05Å; N56-E59 VanDerWaalsContact O-N 3.08Å
57F98.4Very high97.9Very high10 Ų1054.1 Ų54.14%0.04427%0.271CS..G310 helixtrans-57.3-25.4179.7-60.4-60.3000113.7L20 E59 M60 R68 L71 K72 A75 I77L20-F57 HydrophobicContact CD1-CE1 3.67Å; L20-F57 HydrophobicContact CD1-CZ 3.76Å; L20-F57 HydrophobicContact CG-CZ 4.48Å; F57-E59 PolarHBondContact O-N 3.31Å; F57-M60 HydrophobicContact CD1-CE 3.62Å; F57-M60 HydrophobicContact CD1-SD 3.88Å; F57-M60 HydrophobicContact CE1-CE 4.08Å; F57-M60 WeakPolarHBondContact O-CB 2.97Å; F57-M60 PolarHBondContact O-N 3.12Å; F57-R68 HydrophobicContact CB-CG 3.86Å; F57-R68 WeakPolarHBondContact O-CD 3.46Å; F57-R68 VanDerWaalsContact O-CG 3.23Å; F57-R68 WeakPolarHBondContact O-CG 3.32Å; F57-R68 PolarHBondContact O-NE 3.27Å; F57-L71 HydrophobicContact CD1-CB 3.98Å; F57-L71 HydrophobicContact CD1-CD1 3.93Å; F57-L71 HydrophobicContact CD2-CB 4.03Å; F57-L71 HydrophobicContact CE1-CB 4.02Å; F57-L71 HydrophobicContact CE1-CD1 4.1Å; F57-L71 HydrophobicContact CE2-CB 4.05Å; F57-L71 HydrophobicContact CG-CB 4.01Å; F57-L71 HydrophobicContact CZ-CB 4.05Å; F57-K72 HydrophobicContact CB-CG 4.22Å; F57-K72 HydrophobicContact CD2-CG 3.83Å; F57-K72 HydrophobicContact CG-CG 4.49Å; F57-A75 HydrophobicContact CZ-CB 4.24Å; F57-I77 HydrophobicContact CD1-CD1 4.24Å; F57-I77 HydrophobicContact CE1-CD1 3.67Å; F57-I77 HydrophobicContact CE1-CG1 4.16Å; F57-I77 HydrophobicContact CZ-CD1 4.09Å; F57-I77 HydrophobicContact CZ-CG1 4.12Å
58D98.4Very high97.9Very high75 Ų7551.8 Ų51.840%0.40126%0.259SS..G310 helixtrans-61.8-28.2176.4-72.9-37.8000115.3N56 M60 R68 K72N56-D58 PolarHBondContact O-N 3.08Å; N56-D58 WeakPolarHBondContact OD1-CB 3.11Å; N56-D58 PolarHBondContact OD1-N 3.22Å; D58-M60 VanDerWaalsContact C-N 3.28Å; D58-M60 PolarHBondContact O-N 3.49Å; D58-R68 VanDerWaalsContact O-CZ 3.25Å; D58-R68 PolarHBondContact O-NH1 3.06Å; D58-R68 VanDerWaalsContact O-NH1 3.12Å; D58-R68 WeakPolarHBondContact OD1-CD 3.46Å; D58-K72 VanDerWaalsContact CG-CE 3.46Å; D58-K72 WeakPolarHBondContact OD1-CE 3.48Å; D58-K72 IonicContact OD1-NZ 3.99Å; D58-K72 PolarHBondContact OD1-NZ 3.22Å; D58-K72 VanDerWaalsContact OD2-CE 3.32Å; D58-K72 WeakPolarHBondContact OD2-CE 3.44Å; D58-K72 IonicContact OD2-NZ 3Å; D58-K72 PolarHBondContact OD2-NZ 3.28Å
59E97.9Very high97.9Very high94 Ų9451.2 Ų51.244%0.43927%0.266SS..G310 helixtrans-81.3-11.9-178.3-67.2163.4-154.600112.1W48 C54 N56 F57 T61W48-E59 WeakPolarHBondContact CH2-O 3.5Å; W48-E59 WeakPolarHBondContact CZ3-O 3.33Å; C54-E59 PolarHBondContact SG-OE2 3.34Å; C54-E59 VanDerWaalsContact SG-OE2 3.4Å; N56-E59 HydrophobicContact CB-CG 4.31Å; N56-E59 WeakPolarHBondContact CB-OE1 3.49Å; N56-E59 PolarHBondContact ND2-OE1 3.12Å; N56-E59 PolarHBondContact O-N 3.05Å; N56-E59 VanDerWaalsContact O-N 3.08Å; F57-E59 PolarHBondContact O-N 3.31Å; E59-T61 VanDerWaalsContact C-N 3.32Å; E59-T61 WeakPolarHBondContact O-CG2 3.34Å; E59-T61 PolarHBondContact O-N 2.89Å
60M98.3Very high97.8Very high1 Ų154.9 Ų54.91%0.00528%0.282CS..  trans-7877.7-177.1-55.1-172-176.500111.6V45 W48 F57 D58 D62 I63 R68 I77V45-M60 HydrophobicContact CG1-CE 4.22Å; V45-M60 HydrophobicContact CG1-SD 4.32Å; V45-M60 HydrophobicContact CG2-SD 3.97Å; W48-M60 HydrophobicContact CB-CE 3.85Å; W48-M60 HydrophobicContact CB-CG 3.89Å; W48-M60 HydrophobicContact CB-SD 4.02Å; W48-M60 HydrophobicContact CD2-CB 4.18Å; W48-M60 HydrophobicContact CD2-CG 3.96Å; W48-M60 HydrophobicContact CG-CB 4.05Å; W48-M60 HydrophobicContact CG-CG 3.59Å; W48-M60 HydrophobicContact CG-SD 4.16Å; F57-M60 HydrophobicContact CD1-CE 3.62Å; F57-M60 HydrophobicContact CD1-SD 3.88Å; F57-M60 HydrophobicContact CE1-CE 4.08Å; F57-M60 WeakPolarHBondContact O-CB 2.97Å; F57-M60 PolarHBondContact O-N 3.12Å; D58-M60 VanDerWaalsContact C-N 3.28Å; D58-M60 PolarHBondContact O-N 3.49Å; M60-D62 VanDerWaalsContact C-N 3.26Å; M60-D62 PolarHBondContact O-N 2.95Å; M60-I63 HydrophobicContact CB-CB 4.3Å; M60-I63 HydrophobicContact CB-CD1 3.84Å; M60-I63 HydrophobicContact CB-CG1 4.13Å; M60-I63 HydrophobicContact CG-CD1 4.43Å; M60-I63 PolarHBondContact O-N 3.42Å; M60-I63 VanDerWaalsContact O-N 3.12Å; M60-I63 HydrophobicContact SD-CD1 3.75Å; M60-R68 PolarHBondContact O-NH2 2.86Å; M60-I77 HydrophobicContact CE-CD1 3.67Å
61T97.2Very high97.8Very high113 Ų11354.6 Ų54.669%0.69328%0.281SS*.THydrogen-bonded Turntrans-65.1-21.4-167.957.10000115.1W48 E59 I63W48-T61 WeakPolarHBondContact CZ2-OG1 3.27Å; E59-T61 VanDerWaalsContact C-N 3.32Å; E59-T61 WeakPolarHBondContact O-CG2 3.34Å; E59-T61 PolarHBondContact O-N 2.89Å; T61-I63 VanDerWaalsContact C-N 3.33Å
62D96.2Very high97.7Very high77 Ų7756.6 Ų56.641%0.41229%0.289SS..THydrogen-bonded Turntrans-92.79.517870.7-17000113.6R41 Q44 W48 M60R41-D62 PolarHBondContact NH1-O 3.28Å; Q44-D62 VanDerWaalsContact NE2-CG 3.26Å; Q44-D62 PolarHBondContact NE2-O 3.12Å; Q44-D62 PolarHBondContact NE2-OD2 2.73Å; W48-D62 PolarHBondContact NE1-OD1 3.18Å; M60-D62 VanDerWaalsContact C-N 3.26Å; M60-D62 PolarHBondContact O-N 2.95Å
63I97.1Very high97.6Very high5 Ų558.9 Ų58.93%0.02630%0.303CS..SBendtrans-110.1130173.2-59.9-176.4000109.3V45 M60 T61 L67 R68V45-I63 HydrophobicContact CG2-CD1 3.32Å; M60-I63 HydrophobicContact CB-CB 4.3Å; M60-I63 HydrophobicContact CB-CD1 3.84Å; M60-I63 HydrophobicContact CB-CG1 4.13Å; M60-I63 HydrophobicContact CG-CD1 4.43Å; M60-I63 PolarHBondContact O-N 3.42Å; M60-I63 VanDerWaalsContact O-N 3.12Å; M60-I63 HydrophobicContact SD-CD1 3.75Å; T61-I63 VanDerWaalsContact C-N 3.33Å; I63-L67 HydrophobicContact CG2-CB 3.9Å; I63-L67 HydrophobicContact CG2-CD2 3.87Å; I63-L67 HydrophobicContact CG2-CG 3.81Å; I63-R68 HydrophobicContact CG2-CB 4.34Å; I63-R68 PolarHBondContact O-NH2 2.84Å
64N97.1Very high97.6Very high68 Ų6861 Ų6136%0.36432%0.316SS..  trans-64.2152.5-179.974.767000111.2V66 L67 R68N64-V66 PolarHBondContact O-N 3.24Å; N64-V66 WeakPolarHBondContact OD1-CB 3.22Å; N64-V66 PolarHBondContact OD1-N 3.49Å; N64-V66 VanDerWaalsContact OD1-N 3.07Å; N64-L67 PolarHBondContact O-N 2.9Å; N64-L67 PolarHBondContact OD1-N 2.87Å; N64-R68 WeakPolarHBondContact O-CB 3.48Å; N64-R68 PolarHBondContact O-N 2.96Å; N64-R68 VanDerWaalsContact O-N 3.07Å
65K97.4Very high97.6Very high179 Ų17961 Ų6178%0.77832%0.316SS*.Hα-helixtrans-58.6-32.9-174.6-67-177.7179179.90113.6G69K65-G69 PolarHBondContact O-N 2.77Å
66V97.5Very high97.6Very high121 Ų12159.1 Ų59.173%0.73331%0.305SS*.Hα-helixtrans-67.5-51.7-179.1178.60000110.4N64 R68 G69 K70N64-V66 PolarHBondContact O-N 3.24Å; N64-V66 WeakPolarHBondContact OD1-CB 3.22Å; N64-V66 PolarHBondContact OD1-N 3.49Å; N64-V66 VanDerWaalsContact OD1-N 3.07Å; V66-R68 VanDerWaalsContact C-N 3.31Å; V66-R68 PolarHBondContact O-N 3.21Å; V66-G69 PolarHBondContact O-N 3.16Å; V66-K70 PolarHBondContact O-N 3.4Å
67L97.5Very high97.6Very high1 Ų157.1 Ų57.11%0.00529%0.294CS..Hα-helixtrans-62.2-41.4178.1176.452.9000111.4F32 E37 R41 I63 N64 G69 K70 L71F32-L67 HydrophobicContact CE1-CD1 4.24Å; F32-L67 HydrophobicContact CE1-CD2 4.38Å; E37-L67 HydrophobicContact CG-CD1 3.68Å; E37-L67 HydrophobicContact CG-CD2 4.16Å; R41-L67 HydrophobicContact CB-CD2 4.38Å; R41-L67 HydrophobicContact CG-CD2 3.85Å; I63-L67 HydrophobicContact CG2-CB 3.9Å; I63-L67 HydrophobicContact CG2-CD2 3.87Å; I63-L67 HydrophobicContact CG2-CG 3.81Å; N64-L67 PolarHBondContact O-N 2.9Å; N64-L67 PolarHBondContact OD1-N 2.87Å; L67-G69 VanDerWaalsContact C-N 3.33Å; L67-G69 PolarHBondContact O-N 3.24Å; L67-K70 WeakPolarHBondContact O-CB 3.32Å; L67-K70 PolarHBondContact O-N 3.46Å; L67-L71 HydrophobicContact CD1-CG 4.23Å; L67-L71 HydrophobicContact CG-CD1 4.39Å; L67-L71 WeakPolarHBondContact O-CG 3.38Å; L67-L71 PolarHBondContact O-N 3.12Å
68R97.9Very high97.6Very high39 Ų3962.7 Ų62.715%0.14732%0.315CS..Hα-helixtrans-59.1-43.8175.6-175.8-169.1-73.6168.511.7112.6F57 D58 M60 I63 N64 V66 L71 K72F57-R68 HydrophobicContact CB-CG 3.86Å; F57-R68 WeakPolarHBondContact O-CD 3.46Å; F57-R68 VanDerWaalsContact O-CG 3.23Å; F57-R68 WeakPolarHBondContact O-CG 3.32Å; F57-R68 PolarHBondContact O-NE 3.27Å; D58-R68 VanDerWaalsContact O-CZ 3.25Å; D58-R68 PolarHBondContact O-NH1 3.06Å; D58-R68 VanDerWaalsContact O-NH1 3.12Å; D58-R68 WeakPolarHBondContact OD1-CD 3.46Å; M60-R68 PolarHBondContact O-NH2 2.86Å; I63-R68 HydrophobicContact CG2-CB 4.34Å; I63-R68 PolarHBondContact O-NH2 2.84Å; N64-R68 WeakPolarHBondContact O-CB 3.48Å; N64-R68 PolarHBondContact O-N 2.96Å; N64-R68 VanDerWaalsContact O-N 3.07Å; V66-R68 VanDerWaalsContact C-N 3.31Å; V66-R68 PolarHBondContact O-N 3.21Å; R68-L71 PolarHBondContact O-N 3.49Å; R68-K72 PolarHBondContact O-N 3.13Å
69G97.5Very high97.5Very high28 Ų2859.4 Ų59.429%0.28930%0.298SS..Hα-helixtrans-58.6-49174.100000111.5K65 V66 L67 L71 K72 E73K65-G69 PolarHBondContact O-N 2.77Å; V66-G69 PolarHBondContact O-N 3.16Å; L67-G69 VanDerWaalsContact C-N 3.33Å; L67-G69 PolarHBondContact O-N 3.24Å; G69-L71 VanDerWaalsContact C-N 3.34Å; G69-L71 PolarHBondContact O-N 3.42Å; G69-K72 WeakPolarHBondContact O-CB 3.42Å; G69-K72 PolarHBondContact O-N 2.95Å; G69-K72 VanDerWaalsContact O-N 3.13Å; G69-E73 PolarHBondContact O-N 3.02Å
70K96.8Very high97.5Very high76 Ų7655.7 Ų55.733%0.3328%0.282SS..Hα-helixtrans-56.6-44.6177.1-170.7173.1-174.1174.40112.4L35 V66 L67 K72 E73 V74L35-K70 HydrophobicContact CB-CD 4.49Å; L35-K70 PolarHBondContact O-NZ 2.7Å; V66-K70 PolarHBondContact O-N 3.4Å; L67-K70 WeakPolarHBondContact O-CB 3.32Å; L67-K70 PolarHBondContact O-N 3.46Å; K70-K72 VanDerWaalsContact C-N 3.31Å; K70-K72 PolarHBondContact O-N 3.48Å; K70-E73 WeakPolarHBondContact O-CB 3.5Å; K70-E73 PolarHBondContact O-N 3.47Å; K70-E73 VanDerWaalsContact O-N 3.1Å; K70-V74 WeakPolarHBondContact O-CG2 3.45Å; K70-V74 PolarHBondContact O-N 3.19Å
71L98Very high97.5Very high0 Ų062.2 Ų62.20%031%0.313CS..Hα-helixtrans-60.1-39.3178.1-72.6172.4000112.5F31 F32 L35 V45 F57 L67 R68 G69 E73 V74 A75F31-L71 HydrophobicContact CE1-CD2 3.95Å; F31-L71 HydrophobicContact CZ-CD2 4.36Å; F32-L71 HydrophobicContact CE1-CD1 4.4Å; F32-L71 HydrophobicContact CE1-CD2 3.95Å; F32-L71 HydrophobicContact CZ-CD1 4.31Å; F32-L71 HydrophobicContact CZ-CD2 3.87Å; L35-L71 HydrophobicContact CD1-CD2 4.24Å; V45-L71 HydrophobicContact CG2-CD1 4.2Å; F57-L71 HydrophobicContact CD1-CB 3.98Å; F57-L71 HydrophobicContact CD1-CD1 3.93Å; F57-L71 HydrophobicContact CD2-CB 4.03Å; F57-L71 HydrophobicContact CE1-CB 4.02Å; F57-L71 HydrophobicContact CE1-CD1 4.1Å; F57-L71 HydrophobicContact CE2-CB 4.05Å; F57-L71 HydrophobicContact CG-CB 4.01Å; F57-L71 HydrophobicContact CZ-CB 4.05Å; L67-L71 HydrophobicContact CD1-CG 4.23Å; L67-L71 HydrophobicContact CG-CD1 4.39Å; L67-L71 WeakPolarHBondContact O-CG 3.38Å; L67-L71 PolarHBondContact O-N 3.12Å; R68-L71 PolarHBondContact O-N 3.49Å; G69-L71 VanDerWaalsContact C-N 3.34Å; G69-L71 PolarHBondContact O-N 3.42Å; L71-E73 PolarHBondContact O-N 3.31Å; L71-V74 PolarHBondContact O-N 2.85Å; L71-A75 CarbonylContact O-C 3.53Å; L71-A75 WeakPolarHBondContact O-CA 3.26Å; L71-A75 WeakPolarHBondContact O-CB 3.29Å; L71-A75 PolarHBondContact O-N 3Å
72K97.2Very high97.6Very high80 Ų8059 Ų5935%0.34829%0.293SS..Hα-helixtrans-64.2-28.5176.4-68.8176.3177.7-172.90113.4K17 F57 D58 R68 G69 K70K17-K72 WeakPolarHBondContact CE-O 3.42Å; K17-K72 PolarHBondContact NZ-O 3.04Å; F57-K72 HydrophobicContact CB-CG 4.22Å; F57-K72 HydrophobicContact CD2-CG 3.83Å; F57-K72 HydrophobicContact CG-CG 4.49Å; D58-K72 VanDerWaalsContact CG-CE 3.46Å; D58-K72 WeakPolarHBondContact OD1-CE 3.48Å; D58-K72 IonicContact OD1-NZ 3.99Å; D58-K72 PolarHBondContact OD1-NZ 3.22Å; D58-K72 VanDerWaalsContact OD2-CE 3.32Å; D58-K72 WeakPolarHBondContact OD2-CE 3.44Å; D58-K72 IonicContact OD2-NZ 3Å; D58-K72 PolarHBondContact OD2-NZ 3.28Å; R68-K72 PolarHBondContact O-N 3.13Å; G69-K72 WeakPolarHBondContact O-CB 3.42Å; G69-K72 PolarHBondContact O-N 2.95Å; G69-K72 VanDerWaalsContact O-N 3.13Å; K70-K72 VanDerWaalsContact C-N 3.31Å; K70-K72 PolarHBondContact O-N 3.48Å
73E96.6Very high97.6Very high146 Ų14658.6 Ų58.668%0.68229%0.293SS*.Hα-helixtrans-76.1-46.7178.8-67174.8-177.700111.2G69 K70 L71G69-E73 PolarHBondContact O-N 3.02Å; K70-E73 WeakPolarHBondContact O-CB 3.5Å; K70-E73 PolarHBondContact O-N 3.47Å; K70-E73 VanDerWaalsContact O-N 3.1Å; L71-E73 PolarHBondContact O-N 3.31Å
74V97.2Very high97.6Very high48 Ų4862.3 Ų62.329%0.29131%0.31SS..Hα-helixtrans-100.7-16.9-169.7-57.20000115K17 I18 F31 L35 K70 L71K17-V74 WeakPolarHBondContact CA-O 3.46Å; I18-V74 PolarHBondContact N-O 3.39Å; F31-V74 HydrophobicContact CE2-CG2 4.3Å; F31-V74 HydrophobicContact CZ-CG2 3.9Å; L35-V74 HydrophobicContact CD1-CG2 4.15Å; L35-V74 HydrophobicContact CD2-CG2 3.98Å; K70-V74 WeakPolarHBondContact O-CG2 3.45Å; K70-V74 PolarHBondContact O-N 3.19Å; L71-V74 PolarHBondContact O-N 2.85Å
75A98.2Very high97.7Very high1 Ų162.9 Ų62.91%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-139.9168.2-171.300000113.2I18 L20 F31 F57 L71I18-A75 CarbonylContact O-C 3.55Å; I18-A75 WeakPolarHBondContact O-CA 3.43Å; I18-A75 WeakPolarHBondContact O-CB 3.47Å; L20-A75 HydrophobicContact CD1-CB 4.45Å; L20-A75 HydrophobicContact CD2-CB 3.79Å; L20-A75 HydrophobicContact CG-CB 4.05Å; F31-A75 HydrophobicContact CE1-CB 4.43Å; F31-A75 HydrophobicContact CZ-CB 3.84Å; F57-A75 HydrophobicContact CZ-CB 4.24Å; L71-A75 CarbonylContact O-C 3.53Å; L71-A75 WeakPolarHBondContact O-CA 3.26Å; L71-A75 WeakPolarHBondContact O-CB 3.29Å; L71-A75 PolarHBondContact O-N 3Å
76E98.4Very high97.7Very high23 Ų2357.3 Ų57.311%0.10729%0.287CS..EExtended strand (participates in β ladder)trans-151.7166.417460.3174.2-143.800111.3T13 K17 I18 N19 L20 R78T13-E76 HydrophobicContact CG2-CG 4.24Å; T13-E76 WeakPolarHBondContact CG2-OE1 3.46Å; K17-E76 HydrophobicContact CB-CG 4.17Å; K17-E76 HydrophobicContact CD-CB 4.46Å; I18-E76 PolarHBondContact O-N 3.2Å; N19-E76 WeakPolarHBondContact CA-O 3.4Å; N19-E76 HydrophobicContact CB-CG 4.45Å; N19-E76 PolarHBondContact OD1-O 3.45Å; L20-E76 PolarHBondContact N-O 2.97Å; E76-R78 HydrophobicContact CG-CB 4.47Å; E76-R78 WeakPolarHBondContact OE1-CB 3.43Å; E76-R78 IonicContact OE1-CZ 3.57Å; E76-R78 VanDerWaalsContact OE1-CZ 3.24Å; E76-R78 IonicContact OE1-NE 3.04Å; E76-R78 PolarHBondContact OE1-NE 3.39Å; E76-R78 IonicContact OE1-NH2 2.7Å; E76-R78 PolarHBondContact OE1-NH2 3.18Å; E76-R78 IonicContact OE2-CZ 2.73Å; E76-R78 IonicContact OE2-NE 3.91Å; E76-R78 PolarHBondContact OE2-NE 3.04Å; E76-R78 IonicContact OE2-NH2 2.64Å; E76-R78 PolarHBondContact OE2-NH2 3.49Å
77I98.4Very high97.7Very high14 Ų1458.6 Ų58.67%0.07228%0.279CS..  trans-121.694172.8-61.4158.4000106.5L20 L21 M49 D55 F57 M60L20-I77 HydrophobicContact CB-CG1 4.15Å; L20-I77 HydrophobicContact CD1-CG1 4.14Å; L20-I77 HydrophobicContact CG-CG1 4.4Å; L21-I77 HydrophobicContact CD1-CG2 4.16Å; L21-I77 HydrophobicContact CD2-CG2 4.37Å; L21-I77 HydrophobicContact CG-CG2 4.05Å; M49-I77 HydrophobicContact CE-CG1 4.41Å; M49-I77 HydrophobicContact CG-CD1 3.58Å; M49-I77 HydrophobicContact CG-CG1 4.08Å; M49-I77 HydrophobicContact CG-CG2 4.42Å; M49-I77 HydrophobicContact SD-CD1 4.16Å; M49-I77 HydrophobicContact SD-CG1 4.21Å; D55-I77 HydrophobicContact CB-CB 4.24Å; D55-I77 HydrophobicContact CB-CG2 4Å; F57-I77 HydrophobicContact CD1-CD1 4.24Å; F57-I77 HydrophobicContact CE1-CD1 3.67Å; F57-I77 HydrophobicContact CE1-CG1 4.16Å; F57-I77 HydrophobicContact CZ-CD1 4.09Å; F57-I77 HydrophobicContact CZ-CG1 4.12Å; M60-I77 HydrophobicContact CE-CD1 3.67Å
78R98.1Very high97.7Very high128 Ų12859.1 Ų59.148%0.48328%0.282SS..  trans-118.895.3-174-167.7-174.5-57.5-153.23110.5D15 N19 E76D15-R78 IonicContact OD2-NH2 3.84Å; N19-R78 PolarHBondContact ND2-O 3.34Å; N19-R78 PolarHBondContact OD1-N 3.02Å; E76-R78 HydrophobicContact CG-CB 4.47Å; E76-R78 WeakPolarHBondContact OE1-CB 3.43Å; E76-R78 IonicContact OE1-CZ 3.57Å; E76-R78 VanDerWaalsContact OE1-CZ 3.24Å; E76-R78 IonicContact OE1-NE 3.04Å; E76-R78 PolarHBondContact OE1-NE 3.39Å; E76-R78 IonicContact OE1-NH2 2.7Å; E76-R78 PolarHBondContact OE1-NH2 3.18Å; E76-R78 IonicContact OE2-CZ 2.73Å; E76-R78 IonicContact OE2-NE 3.91Å; E76-R78 PolarHBondContact OE2-NE 3.04Å; E76-R78 IonicContact OE2-NH2 2.64Å; E76-R78 PolarHBondContact OE2-NH2 3.49Å
79A98Very high97.7Very high6 Ų662.7 Ų62.75%0.0531%0.314CS..PPolyproline II helixtrans-78.1152.1169.100000110.1L21 W153 R154L21-A79 HydrophobicContact CD1-CB 3.7Å; A79-W153 HydrophobicContact CB-CD2 4.14Å; A79-W153 HydrophobicContact CB-CE3 3.44Å; A79-W153 VanDerWaalsContact CB-CE3 3.44Å; A79-W153 HydrophobicContact CB-CZ3 3.8Å; A79-R154 VanDerWaalsContact C-NH2 3.33Å; A79-R154 PolarHBondContact O-NH2 3.42Å
80P97.8Very high97.6Very high16 Ų1663.9 Ų63.910%0.10431%0.314CS..PPolyproline II helixtrans-54147.8167.8-28.237.7000112.9I97 A98 S146 E147 R154P80-I97 HydrophobicContact CB-CG2 3.16Å; P80-I97 HydrophobicContact CG-CG2 4.15Å; P80-A98 WeakPolarHBondContact CB-O 3.41Å; P80-S146 WeakPolarHBondContact CD-O 3.31Å; P80-E147 HydrophobicContact CG-CB 4.24Å; P80-E147 HydrophobicContact CG-CG 4.17Å; P80-R154 VanDerWaalsContact O-CZ 3.22Å; P80-R154 PolarHBondContact O-NE 3.17Å; P80-R154 PolarHBondContact O-NH2 3.17Å
81E97.8Very high97.6Very high138 Ų13862 Ų6265%0.64532%0.316SS*.EExtended strand (participates in β ladder)trans-86.5144-179.9-66.5-173.4177.900111.7I97 A98E81-I97 CarbonylContact O-C 3.58Å; E81-I97 WeakPolarHBondContact O-CA 3.2Å; E81-A98 PolarHBondContact O-N 2.86Å
82V98.2Very high97.6Very high46 Ų4662 Ų6228%0.27932%0.316SS..EExtended strand (participates in β ladder)trans-81.7124168.6172.80000107.6E84 W95 A96 I97 R154 I158V82-E84 VanDerWaalsContact CG1-O 3.32Å; V82-E84 WeakPolarHBondContact CG1-O 3.41Å; V82-W95 HydrophobicContact CG1-CB 4.19Å; V82-W95 HydrophobicContact CG1-CG 4.26Å; V82-W95 HydrophobicContact CG2-CB 4.2Å; V82-W95 HydrophobicContact CG2-CG 4.28Å; V82-A96 WeakPolarHBondContact CA-O 3.3Å; V82-I97 HydrophobicContact CG2-CG1 4.13Å; V82-R154 HydrophobicContact CG2-CG 3.61Å; V82-I158 HydrophobicContact CG2-CD1 3.87Å
83V97.4Very high97.6Very high67 Ų6758.8 Ų58.841%0.40630%0.302SS..EExtended strand (participates in β ladder)trans-105.7-15.9178.4-66.50000112.6A96 A98 R103V83-A96 HydrophobicContact CG2-CB 4.07Å; V83-A96 WeakPolarHBondContact CG2-O 3.34Å; V83-A96 PolarHBondContact N-O 3.15Å; V83-A98 HydrophobicContact CG1-CB 3.72Å; V83-R103 HydrophobicContact CG2-CG 4.21Å
84E97.5Very high97.7Very high84 Ų8452.5 Ų52.539%0.39327%0.273SS..EExtended strand (participates in β ladder)trans-151.8143.2176.2-165.1176.6157.200110.4V82 Q86 W95 A96V82-E84 VanDerWaalsContact CG1-O 3.32Å; V82-E84 WeakPolarHBondContact CG1-O 3.41Å; E84-Q86 HydrophobicContact CG-CG 4.45Å; E84-Q86 PolarHBondContact OE1-NE2 3.18Å; E84-W95 VanDerWaalsContact O-CA 3.31Å; E84-W95 WeakPolarHBondContact O-CA 3.28Å; E84-A96 HydrophobicContact CB-CB 3.84Å; E84-A96 PolarHBondContact N-O 3.37Å; E84-A96 PolarHBondContact O-N 3.07Å
85E98.4Very high97.8Very high80 Ų8050.3 Ų50.337%0.37426%0.259SS..EExtended strand (participates in β ladder)trans-129.5130.5172.3-179.8178.4103.700109.2R87 I93 K94 W95E85-R87 IonicContact OE1-CZ 2.79Å; E85-R87 IonicContact OE1-NE 3.76Å; E85-R87 PolarHBondContact OE1-NE 3.18Å; E85-R87 IonicContact OE1-NH2 3.36Å; E85-R87 PolarHBondContact OE1-NH2 3.14Å; E85-R87 IonicContact OE2-NH2 3.67Å; E85-R87 PolarHBondContact OE2-NH2 3.42Å; E85-I93 HydrophobicContact CG-CG2 3.74Å; E85-K94 WeakPolarHBondContact CA-O 3.13Å; E85-W95 PolarHBondContact OE2-NE1 3.04Å
86Q97.9Very high97.8Very high62 Ų6250.8 Ų50.829%0.2926%0.263SS..EExtended strand (participates in β ladder)trans-125.1140.8174.9-61.7-180-2700109.4E84 I93 K94 I351E84-Q86 HydrophobicContact CG-CG 4.45Å; E84-Q86 PolarHBondContact OE1-NE2 3.18Å; Q86-I93 CarbonylContact O-C 3.58Å; Q86-I93 WeakPolarHBondContact O-CA 3.24Å; Q86-I93 WeakPolarHBondContact O-CG2 3.16Å; Q86-K94 PolarHBondContact N-O 3.18Å; Q86-K94 PolarHBondContact O-N 3.13Å; Q86-I351 HydrophobicContact CB-CB 4.17Å; Q86-I351 HydrophobicContact CB-CD1 4.25Å; Q86-I351 HydrophobicContact CB-CG2 4.24Å; Q86-I351 PolarHBondContact OE1-O 3.32Å
87R98Very high97.8Very high148 Ų14849.9 Ų49.956%0.55826%0.259SS*.EExtended strand (participates in β ladder)trans-123.5123.2-176.8-65.1-178.8176.1-96.4-5.7110.1E85 I93E85-R87 IonicContact OE1-CZ 2.79Å; E85-R87 IonicContact OE1-NE 3.76Å; E85-R87 PolarHBondContact OE1-NE 3.18Å; E85-R87 IonicContact OE1-NH2 3.36Å; E85-R87 PolarHBondContact OE1-NH2 3.14Å; E85-R87 IonicContact OE2-NH2 3.67Å; E85-R87 PolarHBondContact OE2-NH2 3.42Å; R87-I93 HydrophobicContact CG-CG1 4.33Å; R87-I93 HydrophobicContact CG-CG2 4.22Å; R87-I93 VanDerWaalsContact NH1-CD1 3.28Å
88S97.4Very high97.7Very high11 Ų1150.5 Ų50.58%0.07727%0.266CS..  trans-77.8152.5175.1178.30000111D90 G91 T92 D350S88-D90 WeakPolarHBondContact CB-OD1 3.45Å; S88-D90 PolarHBondContact O-N 3.42Å; S88-D90 PolarHBondContact OG-N 3.22Å; S88-D90 PolarHBondContact OG-OD1 3.46Å; S88-G91 PolarHBondContact O-N 2.89Å; S88-G91 VanDerWaalsContact O-N 3.15Å; S88-T92 WeakPolarHBondContact CB-O 3.4Å; S88-T92 PolarHBondContact N-O 3.25Å; S88-D350 WeakPolarHBondContact CB-OD1 3.36Å; S88-D350 VanDerWaalsContact OG-CG 3.25Å; S88-D350 PolarHBondContact OG-OD1 3.15Å; S88-D350 PolarHBondContact OG-OD2 2.95Å
89S96.5Very high97.6Very high115 Ų11544.5 Ų44.580%0.80424%0.244SC*.THydrogen-bonded Turntrans-58.4-22.4168.354.20000114G91 D350S89-G91 VanDerWaalsContact C-N 3.35Å; S89-D350 PolarHBondContact N-OD2 3.43Å; S89-D350 PolarHBondContact OG-OD2 3.13Å
90D96.1Very high97.4Very high53 Ų5347.7 Ų47.728%0.28328%0.277SS..THydrogen-bonded Turntrans-90.86.6178.47912.1000114.3S88 T92 R347 G348S88-D90 WeakPolarHBondContact CB-OD1 3.45Å; S88-D90 PolarHBondContact O-N 3.42Å; S88-D90 PolarHBondContact OG-N 3.22Å; S88-D90 PolarHBondContact OG-OD1 3.46Å; D90-T92 WeakPolarHBondContact OD1-CA 3.29Å; D90-T92 WeakPolarHBondContact OD1-CB 3.37Å; D90-T92 PolarHBondContact OD1-N 3.07Å; D90-T92 PolarHBondContact OD1-OG1 3.38Å; D90-T92 PolarHBondContact OD2-OG1 3.45Å; D90-R347 VanDerWaalsContact CG-NE 3.31Å; D90-R347 PolarHBondContact O-NH2 3.43Å; D90-R347 IonicContact OD1-NE 2.69Å; D90-R347 IonicContact OD1-NH2 2.74Å; D90-R347 WeakPolarHBondContact OD2-CA 3.42Å; D90-R347 WeakPolarHBondContact OD2-CD 3.45Å; D90-R347 IonicContact OD2-CZ 2.73Å; D90-R347 IonicContact OD2-NE 4Å; D90-R347 PolarHBondContact OD2-NE 3.39Å; D90-G348 PolarHBondContact OD2-N 2.78Å
91G96.6Very high97.1Very high37 Ų3752.5 Ų52.538%0.38130%0.302SS..SBendtrans87-6.5-177.100000115.3S88 S89 P110S88-G91 PolarHBondContact O-N 2.89Å; S88-G91 VanDerWaalsContact O-N 3.15Å; S89-G91 VanDerWaalsContact C-N 3.35Å; G91-P110 WeakPolarHBondContact O-CD 3.43Å; G91-P110 VanDerWaalsContact O-CG 3.24Å; G91-P110 WeakPolarHBondContact O-CG 3.17Å
92T98.1Very high97Very high0 Ų046.1 Ų46.10%027%0.272CS..  trans-62137.7173.6-58.70000110.3S88 D90 V107 Y108 I109 I351 A353S88-T92 WeakPolarHBondContact CB-O 3.4Å; S88-T92 PolarHBondContact N-O 3.25Å; D90-T92 WeakPolarHBondContact OD1-CA 3.29Å; D90-T92 WeakPolarHBondContact OD1-CB 3.37Å; D90-T92 PolarHBondContact OD1-N 3.07Å; D90-T92 PolarHBondContact OD1-OG1 3.38Å; D90-T92 PolarHBondContact OD2-OG1 3.45Å; T92-V107 HydrophobicContact CG2-CG1 3.36Å; T92-Y108 CarbonylContact C-O 3.1Å; T92-Y108 VanDerWaalsContact CA-O 3.26Å; T92-Y108 WeakPolarHBondContact CA-O 3.23Å; T92-Y108 WeakPolarHBondContact CG2-O 3.34Å; T92-I109 HydrophobicContact CG2-CG1 4.4Å; T92-I351 HydrophobicContact CG2-CD1 4.49Å; T92-A353 HydrophobicContact CG2-CB 4.29Å
93I98.4Very high97Very high11 Ų1148.4 Ų48.46%0.05628%0.276CS..EExtended strand (participates in β ladder)trans-121.1130.5176.3-48.2170.9000108.1E85 Q86 R87 W95 V107 Y108E85-I93 HydrophobicContact CG-CG2 3.74Å; Q86-I93 CarbonylContact O-C 3.58Å; Q86-I93 WeakPolarHBondContact O-CA 3.24Å; Q86-I93 WeakPolarHBondContact O-CG2 3.16Å; R87-I93 HydrophobicContact CG-CG1 4.33Å; R87-I93 HydrophobicContact CG-CG2 4.22Å; R87-I93 VanDerWaalsContact NH1-CD1 3.28Å; I93-W95 HydrophobicContact CB-CH2 4.23Å; I93-W95 HydrophobicContact CB-CZ2 4Å; I93-W95 HydrophobicContact CD1-CH2 4.47Å; I93-W95 HydrophobicContact CD1-CZ2 4.13Å; I93-W95 HydrophobicContact CG2-CD2 4.18Å; I93-W95 HydrophobicContact CG2-CH2 4.25Å; I93-W95 HydrophobicContact CG2-CZ2 3.55Å; I93-V107 CarbonylContact O-C 3.57Å; I93-V107 WeakPolarHBondContact O-CA 3.33Å; I93-Y108 HydrophobicContact CD1-CD1 3.98Å; I93-Y108 HydrophobicContact CG1-CD1 4.2Å; I93-Y108 PolarHBondContact N-O 3.2Å; I93-Y108 PolarHBondContact O-N 3.39Å
94K98.4Very high97Very high15 Ų1545.2 Ų45.27%0.06526%0.257CS..EExtended strand (participates in β ladder)trans-110.9131.7172-177.4171.465170.60109.6E85 Q86 E105 V107 I351 D352 A353 L358E85-K94 WeakPolarHBondContact CA-O 3.13Å; Q86-K94 PolarHBondContact N-O 3.18Å; Q86-K94 PolarHBondContact O-N 3.13Å; K94-E105 HydrophobicContact CD-CB 4.47Å; K94-E105 HydrophobicContact CD-CG 4.41Å; K94-E105 WeakPolarHBondContact CD-OE2 3.2Å; K94-E105 IonicContact NZ-OE2 3.33Å; K94-V107 HydrophobicContact CB-CG2 4.47Å; K94-V107 HydrophobicContact CD-CG2 4.47Å; K94-V107 HydrophobicContact CG-CG2 4.18Å; K94-I351 HydrophobicContact CB-CD1 3.86Å; K94-I351 WeakPolarHBondContact CE-O 3.21Å; K94-I351 PolarHBondContact NZ-O 3.42Å; K94-D352 PolarHBondContact NZ-O 2.54Å; K94-A353 HydrophobicContact CB-CB 3.88Å; K94-A353 HydrophobicContact CD-CB 3.82Å; K94-A353 HydrophobicContact CG-CB 4.28Å; K94-L358 HydrophobicContact CD-CD2 4.09Å
95W98.6Very high97Very high1 Ų142.1 Ų42.10%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-114.1131.6171.9-61-70.9000110.4V82 E84 E85 I93 I97 E105 T106 Y108 L117 A155 I158 V159V82-W95 HydrophobicContact CG1-CB 4.19Å; V82-W95 HydrophobicContact CG1-CG 4.26Å; V82-W95 HydrophobicContact CG2-CB 4.2Å; V82-W95 HydrophobicContact CG2-CG 4.28Å; E84-W95 VanDerWaalsContact O-CA 3.31Å; E84-W95 WeakPolarHBondContact O-CA 3.28Å; E85-W95 PolarHBondContact OE2-NE1 3.04Å; I93-W95 HydrophobicContact CB-CH2 4.23Å; I93-W95 HydrophobicContact CB-CZ2 4Å; I93-W95 HydrophobicContact CD1-CH2 4.47Å; I93-W95 HydrophobicContact CD1-CZ2 4.13Å; I93-W95 HydrophobicContact CG2-CD2 4.18Å; I93-W95 HydrophobicContact CG2-CH2 4.25Å; I93-W95 HydrophobicContact CG2-CZ2 3.55Å; W95-I97 HydrophobicContact CB-CG1 4.3Å; W95-E105 WeakPolarHBondContact O-CA 3.46Å; W95-T106 HydrophobicContact CE3-CG2 4.28Å; W95-T106 PolarHBondContact N-O 3.11Å; W95-T106 PolarHBondContact O-N 3.4Å; W95-Y108 HydrophobicContact CH2-CG 4.1Å; W95-Y108 VanDerWaalsContact CZ3-CB 3.47Å; W95-Y108 HydrophobicContact CZ3-CG 4.43Å; W95-L117 HydrophobicContact CZ3-CD1 3.94Å; W95-A155 HydrophobicContact CE3-CB 4.23Å; W95-A155 HydrophobicContact CH2-CB 4Å; W95-A155 HydrophobicContact CZ3-CB 3.54Å; W95-I158 HydrophobicContact CZ2-CB 4.35Å; W95-I158 HydrophobicContact CZ2-CG2 3.87Å; W95-V159 HydrophobicContact CH2-CG2 4.02Å; W95-V159 HydrophobicContact CZ2-CG2 4.48Å
96A98.2Very high97Very high12 Ų1238.3 Ų38.310%0.09922%0.224CC..EExtended strand (participates in β ladder)trans-88.5128.5162.100000108.7V82 V83 E84V82-A96 WeakPolarHBondContact CA-O 3.3Å; V83-A96 HydrophobicContact CG2-CB 4.07Å; V83-A96 WeakPolarHBondContact CG2-O 3.34Å; V83-A96 PolarHBondContact N-O 3.15Å; E84-A96 HydrophobicContact CB-CB 3.84Å; E84-A96 PolarHBondContact N-O 3.37Å; E84-A96 PolarHBondContact O-N 3.07Å
97I97.9Very high97.1Very high3 Ų335.5 Ų35.52%0.01521%0.211CC..EExtended strand (participates in β ladder)trans-118.9125.5-172.2-69.7174.8000109.6P80 E81 V82 W95 V99 R103 V104 T106 Q151P80-I97 HydrophobicContact CB-CG2 3.16Å; P80-I97 HydrophobicContact CG-CG2 4.15Å; E81-I97 CarbonylContact O-C 3.58Å; E81-I97 WeakPolarHBondContact O-CA 3.2Å; V82-I97 HydrophobicContact CG2-CG1 4.13Å; W95-I97 HydrophobicContact CB-CG1 4.3Å; I97-V99 HydrophobicContact CG2-CG1 4.41Å; I97-V99 PolarHBondContact O-N 3.2Å; I97-R103 WeakPolarHBondContact O-CA 3.43Å; I97-V104 HydrophobicContact CB-CG2 4.4Å; I97-V104 PolarHBondContact N-O 3.48Å; I97-V104 PolarHBondContact O-N 3.4Å; I97-V104 VanDerWaalsContact O-N 3.08Å; I97-T106 VanDerWaalsContact CD1-OG1 3.25Å; I97-T106 WeakPolarHBondContact CD1-OG1 3.16Å; I97-Q151 HydrophobicContact CD1-CB 4.24Å; I97-Q151 HydrophobicContact CD1-CG 3.76Å
98A97.6Very high97.1Very high27 Ų2729.8 Ų29.822%0.22319%0.19CC..EExtended strand (participates in β ladder)trans-73123.1179.500000111.5P80 E81 V83P80-A98 WeakPolarHBondContact CB-O 3.41Å; E81-A98 PolarHBondContact O-N 2.86Å; V83-A98 HydrophobicContact CG1-CB 3.72Å
99V95.8Very high97.1Very high3 Ų330.3 Ų30.32%0.01819%0.191CC..  trans-125.863-179.9-71.40000110.1I97 Q102 V104 V123 R141 L143 E147I97-V99 HydrophobicContact CG2-CG1 4.41Å; I97-V99 PolarHBondContact O-N 3.2Å; V99-Q102 HydrophobicContact CG2-CB 4.25Å; V99-Q102 WeakPolarHBondContact CG2-O 3.42Å; V99-Q102 PolarHBondContact N-O 3Å; V99-V104 HydrophobicContact CG1-CG2 3.84Å; V99-V104 HydrophobicContact CG2-CG1 4.05Å; V99-V104 HydrophobicContact CG2-CG2 4.22Å; V99-V123 HydrophobicContact CG2-CG2 3.93Å; V99-R141 PolarHBondContact O-NH2 3.04Å; V99-L143 HydrophobicContact CB-CD2 4.2Å; V99-L143 HydrophobicContact CG1-CD2 3.93Å; V99-L143 HydrophobicContact CG2-CD2 4.29Å; V99-E147 HydrophobicContact CG1-CB 4.37Å; V99-E147 HydrophobicContact CG1-CG 4.31Å
100G92.2Very high97.2Very high72 Ų7226.5 Ų26.574%0.74216%0.164SC*.SBendtrans89.9-125.5-168.800000110.5Q102G100-Q102 VanDerWaalsContact C-N 3.32Å
101D91.6Very high97.1Very high117 Ų11727.1 Ų27.163%0.62617%0.165SC*.SBendtrans-87.92175.357.7-3.8000113.8I363D101-I363 HydrophobicContact CB-CD1 4.46Å; D101-I363 WeakPolarHBondContact OD2-CD1 3.26Å
102Q96.5Very high97Very high5 Ų533.9 Ų33.92%0.02319%0.193CC..SBendtrans-121.6168.5-174.7-75163.2104.100111.2V99 G100 V123 N140 D361 I363V99-Q102 HydrophobicContact CG2-CB 4.25Å; V99-Q102 WeakPolarHBondContact CG2-O 3.42Å; V99-Q102 PolarHBondContact N-O 3Å; G100-Q102 VanDerWaalsContact C-N 3.32Å; Q102-V123 HydrophobicContact CB-CG1 3.9Å; Q102-V123 HydrophobicContact CG-CG1 4.28Å; Q102-N140 PolarHBondContact NE2-OD1 3.45Å; Q102-N140 PolarHBondContact OE1-ND2 3.05Å; Q102-D361 CarbonylContact C-O 3.57Å; Q102-D361 WeakPolarHBondContact CA-O 3.44Å; Q102-D361 VanDerWaalsContact CB-O 3.25Å; Q102-D361 WeakPolarHBondContact CB-O 3.46Å; Q102-I363 HydrophobicContact CG-CB 4.26Å; Q102-I363 HydrophobicContact CG-CD1 3.95Å; Q102-I363 HydrophobicContact CG-CG1 3.84Å
103R97.1Very high96.8Very high94 Ų9440 Ų4036%0.35523%0.225SC..EExtended strand (participates in β ladder)trans-128.2137.7179.3-55.7173.8-172.6-169-0.6111.3V83 I97 G360 D361V83-R103 HydrophobicContact CG2-CG 4.21Å; I97-R103 WeakPolarHBondContact O-CA 3.43Å; R103-G360 WeakPolarHBondContact O-CA 3.37Å; R103-D361 HydrophobicContact CB-CB 3.77Å; R103-D361 HydrophobicContact CG-CB 3.88Å; R103-D361 PolarHBondContact N-O 3.29Å; R103-D361 PolarHBondContact O-N 3.49Å
104V98.3Very high96.8Very high0 Ų043.9 Ų43.90%024%0.239CC..EExtended strand (participates in β ladder)trans-115.8161.9165.1-66.30000109.5I97 V99 V123 L143 M178I97-V104 HydrophobicContact CB-CG2 4.4Å; I97-V104 PolarHBondContact N-O 3.48Å; I97-V104 PolarHBondContact O-N 3.4Å; I97-V104 VanDerWaalsContact O-N 3.08Å; V99-V104 HydrophobicContact CG1-CG2 3.84Å; V99-V104 HydrophobicContact CG2-CG1 4.05Å; V99-V104 HydrophobicContact CG2-CG2 4.22Å; V104-V123 HydrophobicContact CG1-CB 4.37Å; V104-V123 HydrophobicContact CG1-CG1 4.46Å; V104-V123 HydrophobicContact CG1-CG2 4Å; V104-L143 HydrophobicContact CG1-CD1 4.29Å; V104-L143 HydrophobicContact CG1-CD2 4.19Å; V104-L143 HydrophobicContact CG2-CD1 4.2Å; V104-M178 HydrophobicContact CB-SD 4.14Å; V104-M178 HydrophobicContact CG1-SD 4.33Å
105E98.4Very high96.7Very high19 Ų1943.5 Ų43.59%0.08924%0.239CC..EExtended strand (participates in β ladder)trans-111.1146.4-177-64.9176.6-17500111.7K94 W95 S120 M178 L358 G360K94-E105 HydrophobicContact CD-CB 4.47Å; K94-E105 HydrophobicContact CD-CG 4.41Å; K94-E105 WeakPolarHBondContact CD-OE2 3.2Å; K94-E105 IonicContact NZ-OE2 3.33Å; W95-E105 WeakPolarHBondContact O-CA 3.46Å; E105-S120 PolarHBondContact O-OG 3Å; E105-M178 HydrophobicContact CB-SD 4.32Å; E105-M178 HydrophobicContact CG-SD 4.42Å; E105-L358 HydrophobicContact CB-CB 4.3Å; E105-L358 HydrophobicContact CB-CD1 4.35Å; E105-L358 HydrophobicContact CB-CD2 4.18Å; E105-L358 HydrophobicContact CB-CG 4.49Å; E105-L358 WeakPolarHBondContact OE2-CA 3.21Å; E105-L358 VanDerWaalsContact OE2-CB 3.26Å; E105-L358 WeakPolarHBondContact OE2-CB 3.38Å; E105-L358 WeakPolarHBondContact OE2-CD2 3.48Å; E105-G360 WeakPolarHBondContact OE1-CA 3.48Å; E105-G360 PolarHBondContact OE1-N 3.04Å
106T98.5Very high96.7Very high0 Ų044.4 Ų44.40%025%0.245CC..EExtended strand (participates in β ladder)trans-130.3133.6173.3-58.80000108.6W95 I97 L117 C118 Q151W95-T106 HydrophobicContact CE3-CG2 4.28Å; W95-T106 PolarHBondContact N-O 3.11Å; W95-T106 PolarHBondContact O-N 3.4Å; I97-T106 VanDerWaalsContact CD1-OG1 3.25Å; I97-T106 WeakPolarHBondContact CD1-OG1 3.16Å; T106-L117 HydrophobicContact CG2-CD1 3.65Å; T106-L117 HydrophobicContact CG2-CD2 3.91Å; T106-L117 HydrophobicContact CG2-CG 3.77Å; T106-C118 WeakPolarHBondContact CA-O 3.47Å; T106-C118 WeakPolarHBondContact CG2-O 3.33Å; T106-Q151 HydrophobicContact CG2-CB 4.07Å; T106-Q151 WeakPolarHBondContact OG1-CB 3.44Å; T106-Q151 WeakPolarHBondContact OG1-CG 3.23Å; T106-Q151 PolarHBondContact OG1-OE1 3.33Å
107V98.6Very high96.8Very high2 Ų243.8 Ų43.81%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-121124.7-175-173.60000110.8T92 I93 K94 I109 L117 C118 A353 L358T92-V107 HydrophobicContact CG2-CG1 3.36Å; I93-V107 CarbonylContact O-C 3.57Å; I93-V107 WeakPolarHBondContact O-CA 3.33Å; K94-V107 HydrophobicContact CB-CG2 4.47Å; K94-V107 HydrophobicContact CD-CG2 4.47Å; K94-V107 HydrophobicContact CG-CG2 4.18Å; V107-I109 HydrophobicContact CG1-CG1 3.99Å; V107-L117 CarbonylContact O-C 3.55Å; V107-L117 WeakPolarHBondContact O-CA 3.43Å; V107-C118 HydrophobicContact CB-CB 3.98Å; V107-C118 PolarHBondContact N-O 2.84Å; V107-C118 VanDerWaalsContact N-O 3.08Å; V107-C118 PolarHBondContact O-N 3.45Å; V107-A353 HydrophobicContact CG1-CB 3.95Å; V107-A353 HydrophobicContact CG2-CB 4.02Å; V107-L358 HydrophobicContact CG2-CD1 4.32Å; V107-L358 HydrophobicContact CG2-CD2 3.65Å
108Y98.6Very high96.8Very high28 Ų2844 Ų4411%0.1124%0.242CC..EExtended strand (participates in β ladder)trans-98.1125.9172.8175.5-99.6000110.7T92 I93 W95 P110 A115 L117 V159 P169T92-Y108 CarbonylContact C-O 3.1Å; T92-Y108 VanDerWaalsContact CA-O 3.26Å; T92-Y108 WeakPolarHBondContact CA-O 3.23Å; T92-Y108 WeakPolarHBondContact CG2-O 3.34Å; I93-Y108 HydrophobicContact CD1-CD1 3.98Å; I93-Y108 HydrophobicContact CG1-CD1 4.2Å; I93-Y108 PolarHBondContact N-O 3.2Å; I93-Y108 PolarHBondContact O-N 3.39Å; W95-Y108 HydrophobicContact CH2-CG 4.1Å; W95-Y108 VanDerWaalsContact CZ3-CB 3.47Å; W95-Y108 HydrophobicContact CZ3-CG 4.43Å; Y108-P110 HydrophobicContact CD1-CG 4.38Å; Y108-P110 HydrophobicContact CE1-CB 3.81Å; Y108-P110 HydrophobicContact CE1-CG 3.96Å; Y108-A115 HydrophobicContact CE2-CB 3.64Å; Y108-A115 WeakPolarHBondContact OH-CB 3.41Å; Y108-L117 HydrophobicContact CD2-CD1 4.29Å; Y108-V159 HydrophobicContact CD1-CG2 4.5Å; Y108-V159 HydrophobicContact CD2-CG2 4.15Å; Y108-V159 HydrophobicContact CE1-CG2 4.39Å; Y108-V159 HydrophobicContact CE2-CG1 4.33Å; Y108-V159 HydrophobicContact CE2-CG2 4.01Å; Y108-V159 HydrophobicContact CG-CG2 4.38Å; Y108-P169 WeakPolarHBondContact CE2-O 3.19Å
109I98.1Very high96.8Very high22 Ų2242.8 Ų42.811%0.11323%0.232CC..EExtended strand (participates in β ladder)trans-122.497.7-174.3-52.7171.4000108.2T92 V107 T116 R347T92-I109 HydrophobicContact CG2-CG1 4.4Å; V107-I109 HydrophobicContact CG1-CG1 3.99Å; I109-T116 PolarHBondContact N-O 3.06Å; I109-T116 PolarHBondContact O-N 3.19Å; I109-R347 HydrophobicContact CG2-CB 4.18Å; I109-R347 HydrophobicContact CG2-CG 3.95Å
110P96.9Very high97Very high36 Ų3642.7 Ų42.723%0.23423%0.231CC..EExtended strand (participates in β ladder)trans-77.9140.7174.730.6-32000111G91 Y108 R347G91-P110 WeakPolarHBondContact O-CD 3.43Å; G91-P110 VanDerWaalsContact O-CG 3.24Å; G91-P110 WeakPolarHBondContact O-CG 3.17Å; Y108-P110 HydrophobicContact CD1-CG 4.38Å; Y108-P110 HydrophobicContact CE1-CB 3.81Å; Y108-P110 HydrophobicContact CE1-CG 3.96Å; P110-R347 VanDerWaalsContact O-CZ 3.29Å; P110-R347 PolarHBondContact O-NH1 3.45Å; P110-R347 PolarHBondContact O-NH2 2.9Å
111E95.4Very high97.3Very high65 Ų6539.3 Ų39.330%0.30420%0.196SC..  trans-131172.8168.6-61.5-96.5-12200107.9D113 R114 R347E111-D113 VanDerWaalsContact C-N 3.31Å; E111-D113 PolarHBondContact O-N 3.48Å; E111-R114 CarbonylContact C-O 3.58Å; E111-R114 WeakPolarHBondContact CA-O 3.46Å; E111-R114 HydrophobicContact CB-CG 3.94Å; E111-R114 WeakPolarHBondContact CB-O 3.47Å; E111-R114 HydrophobicContact CG-CG 4.31Å; E111-R114 PolarHBondContact N-O 2.85Å; E111-R114 VanDerWaalsContact O-O 3.07Å; E111-R114 IonicContact OE1-CZ 3.86Å; E111-R114 IonicContact OE1-NH1 3.6Å; E111-R114 IonicContact OE1-NH2 2.95Å; E111-R114 PolarHBondContact OE1-NH2 2.84Å; E111-R347 IonicContact OE2-NH1 3.42Å; E111-R347 PolarHBondContact OE2-NH1 3.39Å
112D94Very high97.6Very high180 Ų18033.9 Ų33.996%0.96317%0.167SC*.SBendtrans-61-36.9-175.2-59.1-30.5000113.6
113D94.8Very high97.7Very high128 Ų12833.6 Ų33.668%0.68417%0.166SC*.SBendtrans-113-5-172.474.2-35.2000114.4E111E111-D113 VanDerWaalsContact C-N 3.31Å; E111-D113 PolarHBondContact O-N 3.48Å
114R96.7Very high97.6Very high92 Ų9229.1 Ų29.135%0.34715%0.149SC..  trans-157.8160.1-172.770.1-174-174.5-70.2-6.1112.1E111 T171E111-R114 CarbonylContact C-O 3.58Å; E111-R114 WeakPolarHBondContact CA-O 3.46Å; E111-R114 HydrophobicContact CB-CG 3.94Å; E111-R114 WeakPolarHBondContact CB-O 3.47Å; E111-R114 HydrophobicContact CG-CG 4.31Å; E111-R114 PolarHBondContact N-O 2.85Å; E111-R114 VanDerWaalsContact O-O 3.07Å; E111-R114 IonicContact OE1-CZ 3.86Å; E111-R114 IonicContact OE1-NH1 3.6Å; E111-R114 IonicContact OE1-NH2 2.95Å; E111-R114 PolarHBondContact OE1-NH2 2.84Å; R114-T171 WeakPolarHBondContact CA-OG1 3.35Å; R114-T171 WeakPolarHBondContact CB-OG1 3.38Å
115A97.9Very high97.5Very high8 Ų829.8 Ų29.87%0.06615%0.153CC..EExtended strand (participates in β ladder)trans-129.1123.6171.700000110Y108 P169 T171 N172Y108-A115 HydrophobicContact CE2-CB 3.64Å; Y108-A115 WeakPolarHBondContact OH-CB 3.41Å; A115-P169 VanDerWaalsContact CB-O 3.31Å; A115-P169 WeakPolarHBondContact CB-O 3.29Å; A115-T171 PolarHBondContact N-OG1 3.06Å; A115-T171 PolarHBondContact O-N 3.33Å; A115-T171 PolarHBondContact O-OG1 3.46Å; A115-T171 VanDerWaalsContact O-OG1 3.12Å; A115-N172 PolarHBondContact O-N 3.29Å
116T98.6Very high97.3Very high19 Ų1930.7 Ų30.712%0.11716%0.163CC..EExtended strand (participates in β ladder)trans-109.1131.4-175.9-53.70000110.7I109 N172 V174I109-T116 PolarHBondContact N-O 3.06Å; I109-T116 PolarHBondContact O-N 3.19Å; T116-N172 CarbonylContact C-O 3.59Å; T116-N172 WeakPolarHBondContact CA-O 3.17Å; T116-N172 HydrophobicContact CG2-CB 3.98Å; T116-V174 HydrophobicContact CG2-CG1 3.9Å; T116-V174 HydrophobicContact CG2-CG2 4.06Å
117L98.8Very high97.1Very high0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-106.1124.2171.9-163.276.2000110.8W95 T106 V107 Y108 V119 V152 A155 I170 N172 V173 V174W95-L117 HydrophobicContact CZ3-CD1 3.94Å; T106-L117 HydrophobicContact CG2-CD1 3.65Å; T106-L117 HydrophobicContact CG2-CD2 3.91Å; T106-L117 HydrophobicContact CG2-CG 3.77Å; V107-L117 CarbonylContact O-C 3.55Å; V107-L117 WeakPolarHBondContact O-CA 3.43Å; Y108-L117 HydrophobicContact CD2-CD1 4.29Å; L117-V119 HydrophobicContact CD2-CG2 3.79Å; L117-V119 HydrophobicContact CG-CG2 4.07Å; L117-V152 HydrophobicContact CD2-CB 4.18Å; L117-V152 HydrophobicContact CD2-CG1 4.34Å; L117-V152 HydrophobicContact CD2-CG2 4.08Å; L117-A155 HydrophobicContact CD1-CB 3.56Å; L117-A155 HydrophobicContact CD2-CB 3.78Å; L117-A155 HydrophobicContact CG-CB 4.36Å; L117-I170 HydrophobicContact CB-CD1 4.28Å; L117-I170 HydrophobicContact CB-CG1 4.42Å; L117-I170 HydrophobicContact CB-CG2 4Å; L117-I170 HydrophobicContact CD2-CD1 3.87Å; L117-I170 HydrophobicContact CG-CD1 4.47Å; L117-N172 PolarHBondContact N-O 3.36Å; L117-V173 HydrophobicContact CB-CG2 4.41Å; L117-V173 CarbonylContact O-C 3.29Å; L117-V173 WeakPolarHBondContact O-CA 3.27Å; L117-V174 PolarHBondContact O-N 3.26Å
118C98.6Very high97Very high8 Ų835.1 Ų35.15%0.05419%0.185CC..EExtended strand (participates in β ladder)trans-91.4119171.7-168.40000109.6T106 V107 V174 M176 G177T106-C118 WeakPolarHBondContact CA-O 3.47Å; T106-C118 WeakPolarHBondContact CG2-O 3.33Å; V107-C118 HydrophobicContact CB-CB 3.98Å; V107-C118 PolarHBondContact N-O 2.84Å; V107-C118 VanDerWaalsContact N-O 3.08Å; V107-C118 PolarHBondContact O-N 3.45Å; C118-V174 WeakPolarHBondContact CA-O 3.44Å; C118-V174 HydrophobicContact CB-CG2 4Å; C118-M176 PolarHBondContact SG-O 3.23Å; C118-M176 VanDerWaalsContact SG-O 3.37Å; C118-G177 PolarHBondContact SG-N 3.18Å
119V98.6Very high96.9Very high1 Ų134.3 Ų34.31%0.00618%0.183CC..  trans-115.4134.6-170.41760000110.4L117 I148 Q151 V152 V173 V174 M175 G177L117-V119 HydrophobicContact CD2-CG2 3.79Å; L117-V119 HydrophobicContact CG-CG2 4.07Å; V119-I148 HydrophobicContact CG1-CG2 3.82Å; V119-Q151 HydrophobicContact CG1-CB 4.2Å; V119-V152 HydrophobicContact CG2-CG2 4Å; V119-V173 HydrophobicContact CB-CG1 4.43Å; V119-V173 HydrophobicContact CG2-CG1 3.82Å; V119-V174 PolarHBondContact N-O 3.45Å; V119-M175 HydrophobicContact CB-CE 4.28Å; V119-M175 HydrophobicContact CB-SD 4.07Å; V119-M175 HydrophobicContact CG1-CE 3.95Å; V119-M175 HydrophobicContact CG1-SD 4.23Å; V119-G177 WeakPolarHBondContact O-CA 3.31Å; V119-G177 PolarHBondContact O-N 3.08Å; V119-G177 VanDerWaalsContact O-N 3.08Å
120S98.7Very high96.8Very high0 Ų037 Ų370%019%0.194CC..  trans-78.8143.7172.9-68.70000111.2E105 L143 Q151 M178E105-S120 PolarHBondContact O-OG 3Å; S120-L143 WeakPolarHBondContact O-CD1 3.45Å; S120-Q151 PolarHBondContact O-NE2 3.29Å; S120-M178 CarbonylContact C-O 3.45Å; S120-M178 WeakPolarHBondContact CA-O 3.31Å; S120-M178 WeakPolarHBondContact OG-CB 3.35Å; S120-M178 PolarHBondContact OG-N 3.43Å
121S98.7Very high96.7Very high2 Ų236.2 Ų36.21%0.01419%0.187CC..  trans-113.9-18.7-178.967.80000113.6L143 M178 G179 N184S121-L143 WeakPolarHBondContact O-CB 3.48Å; S121-L143 PolarHBondContact O-N 3.21Å; S121-M178 PolarHBondContact N-O 3.26Å; S121-M178 PolarHBondContact OG-O 3.03Å; S121-G179 PolarHBondContact OG-O 3.17Å; S121-N184 PolarHBondContact O-ND2 2.74Å
122Q98.5Very high96.7Very high2 Ų234.3 Ų34.31%0.00918%0.18CC..EExtended strand (participates in β ladder)trans-142.6163179.1-53179.6-60.400110.6G124 F139 N142 M178 N184Q122-G124 WeakPolarHBondContact CB-O 3.38Å; Q122-G124 PolarHBondContact O-N 2.75Å; Q122-F139 HydrophobicContact CB-CE2 4.19Å; Q122-F139 HydrophobicContact CG-CE2 4.45Å; Q122-N142 PolarHBondContact NE2-OD1 3.01Å; Q122-M178 PolarHBondContact N-O 3.32Å; Q122-M178 VanDerWaalsContact N-O 3.11Å; Q122-N184 HydrophobicContact CG-CB 4.35Å
123V97.5Very high96.7Very high0 Ų026 Ų260%014%0.137CC..EExtended strand (participates in β ladder)trans-88.899.6168.1-170.70000108V99 Q102 V104 N140 R141 L143 V362V99-V123 HydrophobicContact CG2-CG2 3.93Å; Q102-V123 HydrophobicContact CB-CG1 3.9Å; Q102-V123 HydrophobicContact CG-CG1 4.28Å; V104-V123 HydrophobicContact CG1-CB 4.37Å; V104-V123 HydrophobicContact CG1-CG1 4.46Å; V104-V123 HydrophobicContact CG1-CG2 4Å; V123-N140 HydrophobicContact CB-CB 4.23Å; V123-N140 HydrophobicContact CG1-CB 4.16Å; V123-N140 PolarHBondContact O-N 3.22Å; V123-R141 HydrophobicContact CB-CG 4.27Å; V123-R141 HydrophobicContact CG2-CG 3.92Å; V123-R141 PolarHBondContact N-O 2.94Å; V123-L143 HydrophobicContact CG2-CD2 3.53Å; V123-L143 HydrophobicContact CG2-CG 4.37Å; V123-V362 HydrophobicContact CG1-CG1 4.22Å; V123-V362 HydrophobicContact CG1-CG2 4.08Å
124G95.8Very high96.7Very high0 Ų020.2 Ų20.20%011%0.106CC..EExtended strand (participates in β ladder)trans79.1-166.2-16800000113Q122 G138 G179Q122-G124 WeakPolarHBondContact CB-O 3.38Å; Q122-G124 PolarHBondContact O-N 2.75Å; G124-G138 CarbonylContact C-O 3.58Å; G124-G138 VanDerWaalsContact CA-O 3.27Å; G124-G138 WeakPolarHBondContact CA-O 3.38Å; G124-G179 WeakPolarHBondContact O-CA 3.34Å
125C96.7Very high96.4Very high14 Ų1416.1 Ų16.110%0.0959%0.092CC..  trans-149.4132.9177.2-172.80000112.5L127 T134 G138 R368C125-L127 PolarHBondContact O-N 3.02Å; C125-T134 HydrophobicContact CB-CG2 3.91Å; C125-G138 PolarHBondContact N-O 3.03Å; C125-R368 PolarHBondContact O-NH1 2.68Å
126A94.1Very high96Very high37 Ų3717.9 Ų17.931%0.30610%0.098SC..THydrogen-bonded Turntrans-79.8-12.5-17800000114.2E128 F139 R368A126-E128 PolarHBondContact O-N 2.76Å; A126-F139 HydrophobicContact CB-CB 4.14Å; A126-F139 HydrophobicContact CB-CD1 4.5Å; A126-F139 HydrophobicContact CB-CD2 4.42Å; A126-F139 HydrophobicContact CB-CG 4.11Å; A126-R368 PolarHBondContact O-NH2 2.9Å; A126-R368 VanDerWaalsContact O-NH2 3.17Å
127L94.7Very high95.5Very high13 Ų1319.7 Ų19.77%0.06811%0.106CC..THydrogen-bonded Turntrans-79.2-10.4-165.7-65.8-167.7000117C125 C129 E180 L183 S213 I248C125-L127 PolarHBondContact O-N 3.02Å; L127-C129 VanDerWaalsContact C-N 3.29Å; L127-C129 PolarHBondContact O-N 3.35Å; L127-E180 HydrophobicContact CD1-CB 3.64Å; L127-E180 HydrophobicContact CD1-CG 3.77Å; L127-E180 HydrophobicContact CG-CB 4Å; L127-E180 HydrophobicContact CG-CG 4.4Å; L127-L183 HydrophobicContact CD2-CD1 3.87Å; L127-L183 HydrophobicContact CG-CD1 4.47Å; L127-S213 VanDerWaalsContact CD1-CB 3.46Å; L127-I248 HydrophobicContact CD2-CB 4.38Å; L127-I248 HydrophobicContact CD2-CD1 4.32Å; L127-I248 HydrophobicContact CD2-CG1 4.37Å
128E94.9Very high95.2Very high83 Ų8319.7 Ų19.739%0.38811%0.106SC..  trans59.824.9176-10.4-148.6124.600116.2A126 K130 P247 R368A126-E128 PolarHBondContact O-N 2.76Å; E128-K130 PolarHBondContact O-N 3.26Å; E128-K130 VanDerWaalsContact O-N 3.1Å; E128-P247 HydrophobicContact CB-CG 4.33Å; E128-R368 IonicContact OE1-CZ 3.61Å; E128-R368 IonicContact OE1-NE 3.4Å; E128-R368 PolarHBondContact OE1-NE 2.84Å; E128-R368 VanDerWaalsContact OE1-NE 3.13Å; E128-R368 IonicContact OE1-NH2 3.01Å; E128-R368 PolarHBondContact OE1-NH2 3.33Å
129C96.8Very high95Very high11 Ų1121.5 Ų21.57%0.07411%0.112CC..  trans-55.6119.1174.9-59.30000110.7L127 F131 C132 A135 I245L127-C129 VanDerWaalsContact C-N 3.29Å; L127-C129 PolarHBondContact O-N 3.35Å; C129-F131 HydrophobicContact CB-CE1 4.23Å; C129-F131 HydrophobicContact CB-CE2 4.44Å; C129-F131 HydrophobicContact CB-CZ 3.99Å; C129-F131 PolarHBondContact O-N 2.7Å; C129-C132 HydrophobicContact CB-CB 4.06Å; C129-C132 PolarHBondContact O-N 3.24Å; C129-A135 WeakPolarHBondContact O-CB 3.32Å; C129-I245 WeakPolarHBondContact CA-O 3.12Å
130K95.6Very high94.9Very high78 Ų7822.2 Ų22.234%0.33912%0.116SC..THydrogen-bonded Turntrans-68.2-21.8-166.1-67.2-169172.6110.40113.8E128 E244 I245 Y319E128-K130 PolarHBondContact O-N 3.26Å; E128-K130 VanDerWaalsContact O-N 3.1Å; K130-E244 WeakPolarHBondContact CD-O 3.33Å; K130-E244 WeakPolarHBondContact CE-O 3.47Å; K130-E244 WeakPolarHBondContact CG-O 3.12Å; K130-E244 PolarHBondContact NZ-O 3.08Å; K130-E244 IonicContact NZ-OE2 3.53Å; K130-E244 PolarHBondContact NZ-OE2 3.05Å; K130-I245 PolarHBondContact N-O 2.81Å; K130-Y319 HydrophobicContact CB-CE2 3.75Å; K130-Y319 WeakPolarHBondContact CB-OH 3.41Å
131F95.9Very high94.8Very high19 Ų1925.3 Ų25.38%0.08313%0.128CC..THydrogen-bonded Turntrans-97.313.1-179.158.7-97000113.3C129 H235 I245 V246 V280 L282 W311 F314 Y319C129-F131 HydrophobicContact CB-CE1 4.23Å; C129-F131 HydrophobicContact CB-CE2 4.44Å; C129-F131 HydrophobicContact CB-CZ 3.99Å; C129-F131 PolarHBondContact O-N 2.7Å; F131-H235 HydrophobicContact CE1-CB 4.46Å; F131-H235 AromaticContact CE1-CD2 3.98Å; F131-H235 AromaticContact CE2-CD2 3.92Å; F131-H235 AromaticContact CE2-NE2 3.92Å; F131-H235 HydrophobicContact CZ-CB 4.47Å; F131-H235 AromaticContact CZ-CD2 3.23Å; F131-H235 WeakPolarHBondContact CZ-CD2 3.16Å; F131-H235 AromaticContact CZ-CG 3.96Å; F131-H235 AromaticContact CZ-NE2 3.68Å; F131-I245 HydrophobicContact CD1-CB 4.04Å; F131-I245 HydrophobicContact CE1-CB 4.1Å; F131-I245 HydrophobicContact CE1-CD1 4.34Å; F131-I245 HydrophobicContact CE1-CG1 4.44Å; F131-I245 WeakPolarHBondContact CE1-O 3.42Å; F131-V246 HydrophobicContact CE1-CG2 3.58Å; F131-V246 HydrophobicContact CZ-CG2 3.83Å; F131-V280 HydrophobicContact CD1-CG1 4.09Å; F131-V280 HydrophobicContact CD2-CG1 3.98Å; F131-V280 HydrophobicContact CD2-CG2 4.4Å; F131-V280 HydrophobicContact CE1-CG1 4.12Å; F131-V280 HydrophobicContact CE2-CG1 4.03Å; F131-V280 HydrophobicContact CG-CG1 4.06Å; F131-V280 HydrophobicContact CZ-CG1 4.12Å; F131-L282 HydrophobicContact CB-CD1 4.24Å; F131-L282 HydrophobicContact CB-CD2 3.91Å; F131-L282 HydrophobicContact CD1-CD1 4.16Å; F131-L282 HydrophobicContact CG-CD1 4.45Å; F131-W311 PolarHBondContact O-NE1 3.21Å; F131-F314 VanDerWaalsContact C-CE1 3.45Å; F131-F314 VanDerWaalsContact O-CE1 3.28Å; F131-F314 WeakPolarHBondContact O-CE1 3.42Å; F131-Y319 HydrophobicContact CB-CD2 3.93Å; F131-Y319 HydrophobicContact CB-CE2 4.06Å
132C95.8Very high94.8Very high26 Ų2627.9 Ų27.918%0.17614%0.142CC..  trans-117.7124.9-175.1179.20000111.7C129 T134 A135C129-C132 HydrophobicContact CB-CB 4.06Å; C129-C132 PolarHBondContact O-N 3.24Å; C132-T134 PolarHBondContact O-N 2.79Å; C132-A135 HydrophobicContact CB-CB 4.07Å; C132-A135 WeakPolarHBondContact O-CB 3.45Å; C132-A135 PolarHBondContact O-N 3.5Å
133S93.5Very high94.8Very high6 Ų627.8 Ų27.84%0.04214%0.141CC..Hα-helixtrans-60.5-43.3175.5-175.70000111.8A135 Q136 G356 Q357S133-A135 PolarHBondContact O-N 2.98Å; S133-A135 VanDerWaalsContact O-N 3.16Å; S133-Q136 WeakPolarHBondContact O-CB 3.17Å; S133-Q136 PolarHBondContact O-N 3.41Å; S133-G356 WeakPolarHBondContact CA-O 3.43Å; S133-G356 WeakPolarHBondContact CB-O 3.27Å; S133-G356 PolarHBondContact N-O 3.16Å; S133-Q357 WeakPolarHBondContact CB-O 3.42Å; S133-Q357 PolarHBondContact OG-O 3.46Å
134T93.7Very high94.9Very high6 Ų631.7 Ų31.74%0.03716%0.156CC..Hα-helixtrans-56.4-35.7176.8-47.10000112.2C125 C132 Q136 Q137 M178 L358C125-T134 HydrophobicContact CB-CG2 3.91Å; C132-T134 PolarHBondContact O-N 2.79Å; T134-Q136 VanDerWaalsContact C-N 3.27Å; T134-Q136 PolarHBondContact O-N 2.79Å; T134-Q137 PolarHBondContact O-N 2.84Å; T134-M178 HydrophobicContact CG2-CB 3.67Å; T134-M178 HydrophobicContact CG2-CE 4.05Å; T134-M178 HydrophobicContact CG2-CG 3.89Å; T134-L358 WeakPolarHBondContact CA-O 3.38Å; T134-L358 PolarHBondContact N-O 3.39Å; T134-L358 PolarHBondContact OG1-O 2.98Å
135A91.8Very high95Very high6 Ų632.1 Ų32.15%0.0516%0.158CC..Hα-helixtrans-67.5-27.6177.200000112.2C129 C132 S133 Q137 G138 R368C129-A135 WeakPolarHBondContact O-CB 3.32Å; C132-A135 HydrophobicContact CB-CB 4.07Å; C132-A135 WeakPolarHBondContact O-CB 3.45Å; C132-A135 PolarHBondContact O-N 3.5Å; S133-A135 PolarHBondContact O-N 2.98Å; S133-A135 VanDerWaalsContact O-N 3.16Å; A135-Q137 VanDerWaalsContact C-N 3.29Å; A135-Q137 PolarHBondContact O-N 3.19Å; A135-G138 PolarHBondContact O-N 2.78Å; A135-R368 PolarHBondContact O-NH1 3.21Å
136Q88.5Confident95.1Very high44 Ų4431.5 Ų31.521%0.20615%0.154CC..Hα-helixtrans-69.6-29.2177.1-59.1-157.2-36.100113S133 T134 G138 F314 P315S133-Q136 WeakPolarHBondContact O-CB 3.17Å; S133-Q136 PolarHBondContact O-N 3.41Å; T134-Q136 VanDerWaalsContact C-N 3.27Å; T134-Q136 PolarHBondContact O-N 2.79Å; Q136-G138 PolarHBondContact O-N 3.1Å; Q136-F314 HydrophobicContact CG-CE2 3.99Å; Q136-P315 PolarHBondContact OE1-O 2.76Å
137Q88.7Confident95.3Very high58 Ų5830.1 Ų30.127%0.27114%0.142SC..THydrogen-bonded Turntrans-74.7-9.4-178.7-54-59.1-2700113.3T134 A135 A359 V362T134-Q137 PolarHBondContact O-N 2.84Å; A135-Q137 VanDerWaalsContact C-N 3.29Å; A135-Q137 PolarHBondContact O-N 3.19Å; Q137-A359 HydrophobicContact CG-CB 4.25Å; Q137-A359 WeakPolarHBondContact CG-O 3.43Å; Q137-V362 HydrophobicContact CB-CB 4.04Å; Q137-V362 HydrophobicContact CB-CG2 4.05Å
138G91.6Very high95.5Very high0 Ų029.5 Ų29.50%014%0.138CC..  trans76.9-151.6-177.200000112.2G124 C125 A135 Q136 D364G124-G138 CarbonylContact C-O 3.58Å; G124-G138 VanDerWaalsContact CA-O 3.27Å; G124-G138 WeakPolarHBondContact CA-O 3.38Å; C125-G138 PolarHBondContact N-O 3.03Å; A135-G138 PolarHBondContact O-N 2.78Å; Q136-G138 PolarHBondContact O-N 3.1Å; G138-D364 WeakPolarHBondContact CA-OD1 3.31Å
139F95.1Very high95.7Very high45 Ų4525.6 Ų25.620%0.19712%0.12CC..EExtended strand (participates in β ladder)trans-143.6139.8-176170.9-99.6000111.1Q122 A126 D364 R365 T366Q122-F139 HydrophobicContact CB-CE2 4.19Å; Q122-F139 HydrophobicContact CG-CE2 4.45Å; A126-F139 HydrophobicContact CB-CB 4.14Å; A126-F139 HydrophobicContact CB-CD1 4.5Å; A126-F139 HydrophobicContact CB-CD2 4.42Å; A126-F139 HydrophobicContact CB-CG 4.11Å; F139-D364 PolarHBondContact N-OD1 3.39Å; F139-D364 VanDerWaalsContact N-OD1 3.1Å; F139-R365 PolarHBondContact O-N 2.9Å; F139-T366 HydrophobicContact CB-CG2 3.87Å; F139-T366 HydrophobicContact CD1-CG2 4.25Å
140N96.1Very high95.8Very high17 Ų1725.1 Ų25.19%0.09112%0.117CC..EExtended strand (participates in β ladder)trans-114.2-64.9175.3-173.2-76.9000112.4Q102 V123 V362 I363 R365Q102-N140 PolarHBondContact NE2-OD1 3.45Å; Q102-N140 PolarHBondContact OE1-ND2 3.05Å; V123-N140 HydrophobicContact CB-CB 4.23Å; V123-N140 HydrophobicContact CG1-CB 4.16Å; V123-N140 PolarHBondContact O-N 3.22Å; N140-V362 HydrophobicContact CB-CG1 4.33Å; N140-I363 WeakPolarHBondContact CB-O 3.31Å; N140-I363 PolarHBondContact ND2-O 2.85Å; N140-R365 PolarHBondContact O-NH1 3.4Å
141R97.6Very high95.9Very high64 Ų6421.4 Ų21.424%0.24210%0.101CC..EExtended strand (participates in β ladder)trans-156.7164.8-173.267.5178.5-177.585-7.9112.4V99 V123 E147V99-R141 PolarHBondContact O-NH2 3.04Å; V123-R141 HydrophobicContact CB-CG 4.27Å; V123-R141 HydrophobicContact CG2-CG 3.92Å; V123-R141 PolarHBondContact N-O 2.94Å; R141-E147 IonicContact CZ-OE1 2.75Å; R141-E147 IonicContact CZ-OE2 2.7Å; R141-E147 IonicContact NH1-OE1 3.32Å; R141-E147 PolarHBondContact NH1-OE1 3.15Å; R141-E147 IonicContact NH1-OE2 3.73Å; R141-E147 PolarHBondContact NH1-OE2 2.88Å; R141-E147 IonicContact NH2-OE1 3.21Å; R141-E147 PolarHBondContact NH2-OE1 3.2Å; R141-E147 IonicContact NH2-OE2 2.7Å
142N98.4Very high96.1Very high56 Ų5620.5 Ų20.530%0.29910%0.097SC..EExtended strand (participates in β ladder)trans-72.2146.1166-77.6-7000111.1Q122 L183 N184Q122-N142 PolarHBondContact NE2-OD1 3.01Å; N142-L183 PolarHBondContact ND2-O 3.03Å; N142-N184 HydrophobicContact CB-CB 4.26Å; N142-N184 VanDerWaalsContact CB-CG 3.49Å; N142-N184 WeakPolarHBondContact CB-OD1 3.24Å; N142-N184 VanDerWaalsContact CG-CG 3.44Å; N142-N184 PolarHBondContact ND2-OD1 3.35Å
143L98.6Very high96.2Very high0 Ų019.3 Ų19.30%09%0.089CC..PPolyproline II helixtrans-77142.6168-65.9178.6000110.1V99 V104 S120 S121 V123 E147 I148 N184 N187V99-L143 HydrophobicContact CB-CD2 4.2Å; V99-L143 HydrophobicContact CG1-CD2 3.93Å; V99-L143 HydrophobicContact CG2-CD2 4.29Å; V104-L143 HydrophobicContact CG1-CD1 4.29Å; V104-L143 HydrophobicContact CG1-CD2 4.19Å; V104-L143 HydrophobicContact CG2-CD1 4.2Å; S120-L143 WeakPolarHBondContact O-CD1 3.45Å; S121-L143 WeakPolarHBondContact O-CB 3.48Å; S121-L143 PolarHBondContact O-N 3.21Å; V123-L143 HydrophobicContact CG2-CD2 3.53Å; V123-L143 HydrophobicContact CG2-CG 4.37Å; L143-E147 WeakPolarHBondContact CA-OE2 3.34Å; L143-E147 HydrophobicContact CB-CB 4Å; L143-E147 HydrophobicContact CD2-CB 4.07Å; L143-E147 HydrophobicContact CG-CB 4.48Å; L143-I148 HydrophobicContact CB-CD1 4.26Å; L143-I148 HydrophobicContact CB-CG1 3.72Å; L143-I148 HydrophobicContact CD1-CG1 4.33Å; L143-N184 PolarHBondContact N-ND2 3.42Å; L143-N184 PolarHBondContact O-ND2 2.79Å; L143-N187 WeakPolarHBondContact O-CB 3.45Å; L143-N187 PolarHBondContact O-ND2 2.66Å
144R98.6Very high96.5Very high83 Ų8321.2 Ų21.231%0.31310%0.095SC..PPolyproline II helixtrans-72.2165.2170.9-62.5-174.9-64.1151.66.3110.9D22 S146 E147 I148D22-R144 IonicContact OD2-NH1 3.73Å; R144-S146 VanDerWaalsContact C-N 3.32Å; R144-S146 PolarHBondContact O-N 3.36Å; R144-E147 HydrophobicContact CB-CG 4.21Å; R144-E147 PolarHBondContact N-OE2 3.01Å; R144-E147 WeakPolarHBondContact O-CB 3.46Å; R144-E147 PolarHBondContact O-N 2.78Å; R144-I148 WeakPolarHBondContact O-CG1 3.37Å; R144-I148 PolarHBondContact O-N 3.44Å
145V98.8Very high96.7Very high8 Ų821 Ų215%0.0489%0.093CC..Hα-helixtrans-54-49.7176.9178.30000110.5L21 D22 E147 I148 I149 N187 P190 A191 I194L21-V145 WeakPolarHBondContact O-CG1 3.42Å; D22-V145 HydrophobicContact CB-CB 4.47Å; D22-V145 PolarHBondContact OD1-N 3.21Å; V145-E147 PolarHBondContact O-N 3.03Å; V145-I148 PolarHBondContact O-N 2.79Å; V145-I149 HydrophobicContact CG1-CG2 4.48Å; V145-I149 WeakPolarHBondContact O-CG2 3.47Å; V145-I149 PolarHBondContact O-N 2.97Å; V145-N187 HydrophobicContact CG2-CB 4.03Å; V145-N187 PolarHBondContact N-OD1 3.33Å; V145-P190 HydrophobicContact CG1-CB 4.13Å; V145-P190 HydrophobicContact CG2-CB 3.82Å; V145-P190 HydrophobicContact CG2-CG 4.14Å; V145-A191 HydrophobicContact CG1-CB 4.34Å; V145-I194 HydrophobicContact CG1-CD1 4.11Å
146S98.6Very high97Very high1 Ų120.7 Ų20.71%0.0079%0.091CC..Hα-helixtrans-60.8-26.4177.755.20000113.8N19 L21 D22 P80 R144 G150N19-S146 VanDerWaalsContact ND2-CB 3.32Å; N19-S146 WeakPolarHBondContact ND2-CB 3.42Å; L21-S146 WeakPolarHBondContact O-CA 3.44Å; L21-S146 PolarHBondContact O-N 3.3Å; D22-S146 VanDerWaalsContact CG-CB 3.41Å; D22-S146 VanDerWaalsContact OD1-CB 3.22Å; D22-S146 WeakPolarHBondContact OD1-CB 3.41Å; D22-S146 PolarHBondContact OD1-N 3.18Å; D22-S146 PolarHBondContact OD1-OG 3.07Å; D22-S146 WeakPolarHBondContact OD2-CB 3.48Å; D22-S146 PolarHBondContact OD2-OG 3.01Å; P80-S146 WeakPolarHBondContact CD-O 3.31Å; R144-S146 VanDerWaalsContact C-N 3.32Å; R144-S146 PolarHBondContact O-N 3.36Å; S146-G150 WeakPolarHBondContact O-CA 3.5Å; S146-G150 PolarHBondContact O-N 2.82Å
147E98.7Very high97.4Very high9 Ų922.5 Ų22.54%0.04210%0.099CC..Hα-helixtrans-82.9-27.3176.3-62.8174.4142.200112.3P80 V99 R141 L143 R144 V145 Q151P80-E147 HydrophobicContact CG-CB 4.24Å; P80-E147 HydrophobicContact CG-CG 4.17Å; V99-E147 HydrophobicContact CG1-CB 4.37Å; V99-E147 HydrophobicContact CG1-CG 4.31Å; R141-E147 IonicContact CZ-OE1 2.75Å; R141-E147 IonicContact CZ-OE2 2.7Å; R141-E147 IonicContact NH1-OE1 3.32Å; R141-E147 PolarHBondContact NH1-OE1 3.15Å; R141-E147 IonicContact NH1-OE2 3.73Å; R141-E147 PolarHBondContact NH1-OE2 2.88Å; R141-E147 IonicContact NH2-OE1 3.21Å; R141-E147 PolarHBondContact NH2-OE1 3.2Å; R141-E147 IonicContact NH2-OE2 2.7Å; L143-E147 WeakPolarHBondContact CA-OE2 3.34Å; L143-E147 HydrophobicContact CB-CB 4Å; L143-E147 HydrophobicContact CD2-CB 4.07Å; L143-E147 HydrophobicContact CG-CB 4.48Å; R144-E147 HydrophobicContact CB-CG 4.21Å; R144-E147 PolarHBondContact N-OE2 3.01Å; R144-E147 WeakPolarHBondContact O-CB 3.46Å; R144-E147 PolarHBondContact O-N 2.78Å; V145-E147 PolarHBondContact O-N 3.03Å; E147-Q151 WeakPolarHBondContact O-CG 3.42Å; E147-Q151 PolarHBondContact O-NE2 3.27Å
148I98.9Very high97.9Very high0 Ų023 Ų230%010%0.102CC..Hα-helixtrans-81.7-58.1174.6-61.2170.9000110V119 L143 R144 V145 G150 Q151 M175 N187 V188 A191 M195V119-I148 HydrophobicContact CG1-CG2 3.82Å; L143-I148 HydrophobicContact CB-CD1 4.26Å; L143-I148 HydrophobicContact CB-CG1 3.72Å; L143-I148 HydrophobicContact CD1-CG1 4.33Å; R144-I148 WeakPolarHBondContact O-CG1 3.37Å; R144-I148 PolarHBondContact O-N 3.44Å; V145-I148 PolarHBondContact O-N 2.79Å; I148-G150 PolarHBondContact O-N 2.97Å; I148-Q151 WeakPolarHBondContact O-CB 3.46Å; I148-Q151 PolarHBondContact O-N 3.04Å; I148-Q151 VanDerWaalsContact O-N 3.14Å; I148-M175 HydrophobicContact CG2-CE 3.89Å; I148-N187 HydrophobicContact CD1-CB 3.9Å; I148-V188 HydrophobicContact CD1-CG2 3.82Å; I148-A191 HydrophobicContact CB-CB 3.87Å; I148-A191 HydrophobicContact CG2-CB 3.58Å; I148-M195 HydrophobicContact CG2-CE 4.19Å
149I98.8Very high98.1Very high0 Ų025.5 Ų25.50%012%0.118CC..Hα-helixtrans-68.7-26.1-179.7-160.558.5000111.9L21 Y50 V145 Q151 V152 W153 A191 I194 M195 F201L21-I149 HydrophobicContact CB-CG2 4.26Å; L21-I149 HydrophobicContact CD2-CG2 4.42Å; L21-I149 VanDerWaalsContact O-CG2 3.26Å; L21-I149 WeakPolarHBondContact O-CG2 3.45Å; Y50-I149 HydrophobicContact CE1-CG1 4.19Å; V145-I149 HydrophobicContact CG1-CG2 4.48Å; V145-I149 WeakPolarHBondContact O-CG2 3.47Å; V145-I149 PolarHBondContact O-N 2.97Å; I149-Q151 PolarHBondContact O-N 3.07Å; I149-V152 HydrophobicContact CD1-CB 4.21Å; I149-V152 HydrophobicContact CD1-CG2 4.12Å; I149-V152 PolarHBondContact O-N 3.27Å; I149-V152 VanDerWaalsContact O-N 3.14Å; I149-W153 WeakPolarHBondContact O-CB 3.38Å; I149-W153 PolarHBondContact O-N 3.45Å; I149-A191 HydrophobicContact CB-CB 4.28Å; I149-I194 HydrophobicContact CD1-CB 4.07Å; I149-I194 HydrophobicContact CD1-CG2 3.92Å; I149-I194 HydrophobicContact CG1-CB 4.04Å; I149-I194 HydrophobicContact CG1-CD1 4.3Å; I149-I194 HydrophobicContact CG1-CG2 3.71Å; I149-I194 HydrophobicContact CG2-CD1 4.35Å; I149-M195 HydrophobicContact CD1-CE 4.1Å; I149-M195 HydrophobicContact CD1-CG 3.62Å; I149-F201 HydrophobicContact CD1-CD2 3.98Å; I149-F201 HydrophobicContact CD1-CE2 3.66Å; I149-F201 HydrophobicContact CG1-CE2 4.07Å
150G98.7Very high98.1Very high1 Ų124 Ų241%0.0111%0.114CC..Hα-helixtrans-61.8-29.3172.900000113.4S146 I148 W153 R154S146-G150 WeakPolarHBondContact O-CA 3.5Å; S146-G150 PolarHBondContact O-N 2.82Å; I148-G150 PolarHBondContact O-N 2.97Å; G150-W153 PolarHBondContact O-N 3.14Å; G150-R154 WeakPolarHBondContact O-CB 3.48Å; G150-R154 PolarHBondContact O-N 2.89Å
151Q98.9Very high97.8Very high0 Ų023.4 Ų23.40%011%0.112CC..Hα-helixtrans-64-46.2172.1-66.8169.463.700110.7I97 T106 V119 S120 E147 I148 I149 A155I97-Q151 HydrophobicContact CD1-CB 4.24Å; I97-Q151 HydrophobicContact CD1-CG 3.76Å; T106-Q151 HydrophobicContact CG2-CB 4.07Å; T106-Q151 WeakPolarHBondContact OG1-CB 3.44Å; T106-Q151 WeakPolarHBondContact OG1-CG 3.23Å; T106-Q151 PolarHBondContact OG1-OE1 3.33Å; V119-Q151 HydrophobicContact CG1-CB 4.2Å; S120-Q151 PolarHBondContact O-NE2 3.29Å; E147-Q151 WeakPolarHBondContact O-CG 3.42Å; E147-Q151 PolarHBondContact O-NE2 3.27Å; I148-Q151 WeakPolarHBondContact O-CB 3.46Å; I148-Q151 PolarHBondContact O-N 3.04Å; I148-Q151 VanDerWaalsContact O-N 3.14Å; I149-Q151 PolarHBondContact O-N 3.07Å; Q151-A155 VanDerWaalsContact O-CB 3.27Å; Q151-A155 WeakPolarHBondContact O-CB 3.5Å; Q151-A155 PolarHBondContact O-N 2.97Å
152V98.8Very high97.3Very high0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-63.8-45.2176.2-168.40000111L117 V119 I149 A156 I170 V173 M195 F201L117-V152 HydrophobicContact CD2-CB 4.18Å; L117-V152 HydrophobicContact CD2-CG1 4.34Å; L117-V152 HydrophobicContact CD2-CG2 4.08Å; V119-V152 HydrophobicContact CG2-CG2 4Å; I149-V152 HydrophobicContact CD1-CB 4.21Å; I149-V152 HydrophobicContact CD1-CG2 4.12Å; I149-V152 PolarHBondContact O-N 3.27Å; I149-V152 VanDerWaalsContact O-N 3.14Å; V152-A156 VanDerWaalsContact O-CB 3.24Å; V152-A156 WeakPolarHBondContact O-CB 3.24Å; V152-A156 PolarHBondContact O-N 3.49Å; V152-I170 HydrophobicContact CG1-CD1 3.92Å; V152-V173 HydrophobicContact CG1-CG2 4.46Å; V152-V173 HydrophobicContact CG2-CG2 4.45Å; V152-M195 HydrophobicContact CG2-CE 3.87Å; V152-M195 HydrophobicContact CG2-CG 4.46Å; V152-F201 HydrophobicContact CB-CD2 4.48Å; V152-F201 HydrophobicContact CB-CE2 3.85Å; V152-F201 HydrophobicContact CB-CZ 3.99Å; V152-F201 HydrophobicContact CG1-CD1 4.11Å; V152-F201 HydrophobicContact CG1-CD2 3.81Å; V152-F201 HydrophobicContact CG1-CE1 3.87Å; V152-F201 HydrophobicContact CG1-CE2 3.55Å; V152-F201 HydrophobicContact CG1-CG 4.08Å; V152-F201 HydrophobicContact CG1-CZ 3.59Å
153W98.8Very high96.9Very high1 Ų125.3 Ų25.30%0.00413%0.125CC..Hα-helixtrans-61-45.9179-173.696.1000112.1L21 M49 C53 D55 A79 I149 G150 A156 K157 F201L21-W153 HydrophobicContact CD2-CG 4.43Å; M49-W153 VanDerWaalsContact O-CD1 3.3Å; M49-W153 PolarHBondContact O-NE1 2.8Å; C53-W153 HydrophobicContact CB-CZ2 4.31Å; C53-W153 WeakPolarHBondContact O-CZ2 3.36Å; D55-W153 HydrophobicContact CB-CH2 3.83Å; D55-W153 HydrophobicContact CB-CZ2 3.79Å; D55-W153 WeakPolarHBondContact OD2-CH2 3.49Å; A79-W153 HydrophobicContact CB-CD2 4.14Å; A79-W153 HydrophobicContact CB-CE3 3.44Å; A79-W153 VanDerWaalsContact CB-CE3 3.44Å; A79-W153 HydrophobicContact CB-CZ3 3.8Å; I149-W153 WeakPolarHBondContact O-CB 3.38Å; I149-W153 PolarHBondContact O-N 3.45Å; G150-W153 PolarHBondContact O-N 3.14Å; W153-A156 PolarHBondContact O-N 3.35Å; W153-K157 HydrophobicContact CH2-CD 3.42Å; W153-K157 VanDerWaalsContact CH2-CD 3.42Å; W153-K157 HydrophobicContact CZ2-CD 4.13Å; W153-K157 HydrophobicContact CZ3-CD 3.66Å; W153-K157 WeakPolarHBondContact O-CB 3.45Å; W153-K157 PolarHBondContact O-N 2.88Å; W153-F201 HydrophobicContact CB-CZ 4.23Å
154R98.4Very high96.4Very high46 Ų4630.1 Ų30.117%0.17415%0.154CC..Hα-helixtrans-70.5-42.9-178.1-16668.675-179.14.2111.4A79 P80 V82 G150 K157 I158A79-R154 VanDerWaalsContact C-NH2 3.33Å; A79-R154 PolarHBondContact O-NH2 3.42Å; P80-R154 VanDerWaalsContact O-CZ 3.22Å; P80-R154 PolarHBondContact O-NE 3.17Å; P80-R154 PolarHBondContact O-NH2 3.17Å; V82-R154 HydrophobicContact CG2-CG 3.61Å; G150-R154 WeakPolarHBondContact O-CB 3.48Å; G150-R154 PolarHBondContact O-N 2.89Å; R154-K157 PolarHBondContact O-N 3.36Å; R154-I158 HydrophobicContact CG-CD1 4.12Å; R154-I158 WeakPolarHBondContact O-CG1 3.48Å; R154-I158 PolarHBondContact O-N 2.95Å
155A98.3Very high96Very high1 Ų129.8 Ų29.81%0.00816%0.161CC..Hα-helixtrans-60.7-44.5173.400000111.7W95 L117 Q151 K157 I158 V159 I170W95-A155 HydrophobicContact CE3-CB 4.23Å; W95-A155 HydrophobicContact CH2-CB 4Å; W95-A155 HydrophobicContact CZ3-CB 3.54Å; L117-A155 HydrophobicContact CD1-CB 3.56Å; L117-A155 HydrophobicContact CD2-CB 3.78Å; L117-A155 HydrophobicContact CG-CB 4.36Å; Q151-A155 VanDerWaalsContact O-CB 3.27Å; Q151-A155 WeakPolarHBondContact O-CB 3.5Å; Q151-A155 PolarHBondContact O-N 2.97Å; A155-K157 VanDerWaalsContact C-N 3.33Å; A155-K157 PolarHBondContact O-N 3.36Å; A155-I158 PolarHBondContact O-N 3.47Å; A155-V159 WeakPolarHBondContact O-CB 3.23Å; A155-V159 WeakPolarHBondContact O-CG2 3.29Å; A155-V159 PolarHBondContact O-N 3.32Å; A155-I170 HydrophobicContact CB-CD1 4.08Å
156A98.3Very high95.5Very high1 Ų132.6 Ų32.61%0.00819%0.192CC..Hα-helixtrans-61.7-39.4175.700000112.3V152 W153 G160 A161 P169 I170 F201V152-A156 VanDerWaalsContact O-CB 3.24Å; V152-A156 WeakPolarHBondContact O-CB 3.24Å; V152-A156 PolarHBondContact O-N 3.49Å; W153-A156 PolarHBondContact O-N 3.35Å; A156-G160 CarbonylContact O-C 3.52Å; A156-G160 WeakPolarHBondContact O-CA 3.28Å; A156-G160 PolarHBondContact O-N 2.96Å; A156-A161 PolarHBondContact O-N 2.88Å; A156-P169 HydrophobicContact CB-CG 3.8Å; A156-I170 HydrophobicContact CB-CD1 4.17Å; A156-F201 HydrophobicContact CB-CE1 3.87Å
157K98Very high95.1Very high82 Ų8239.7 Ų39.736%0.35723%0.225SC..Hα-helixtrans-64.4-43.8176.3-167.8165.6-175.2136.90111.9C53 D55 W153 R154 A155C53-K157 HydrophobicContact CB-CB 3.72Å; C53-K157 HydrophobicContact CB-CD 4.11Å; C53-K157 HydrophobicContact CB-CG 3.86Å; C53-K157 PolarHBondContact O-NZ 2.64Å; C53-K157 PolarHBondContact SG-N 2.7Å; D55-K157 IonicContact OD1-NZ 3.24Å; D55-K157 PolarHBondContact OD1-NZ 3.03Å; D55-K157 IonicContact OD2-NZ 3.48Å; D55-K157 PolarHBondContact OD2-NZ 2.69Å; W153-K157 HydrophobicContact CH2-CD 3.42Å; W153-K157 VanDerWaalsContact CH2-CD 3.42Å; W153-K157 HydrophobicContact CZ2-CD 4.13Å; W153-K157 HydrophobicContact CZ3-CD 3.66Å; W153-K157 WeakPolarHBondContact O-CB 3.45Å; W153-K157 PolarHBondContact O-N 2.88Å; R154-K157 PolarHBondContact O-N 3.36Å; A155-K157 VanDerWaalsContact C-N 3.33Å; A155-K157 PolarHBondContact O-N 3.36Å
158I97.3Very high94.8Very high68 Ų6846 Ų4635%0.34925%0.249SC..Hα-helixtrans-71.1-45.5-178.6-67.8167.6000111.8V82 W95 R154 A155V82-I158 HydrophobicContact CG2-CD1 3.87Å; W95-I158 HydrophobicContact CZ2-CB 4.35Å; W95-I158 HydrophobicContact CZ2-CG2 3.87Å; R154-I158 HydrophobicContact CG-CD1 4.12Å; R154-I158 WeakPolarHBondContact O-CG1 3.48Å; R154-I158 PolarHBondContact O-N 2.95Å; A155-I158 PolarHBondContact O-N 3.47Å
159V96.7Very high94.5Very high53 Ų5346.8 Ų46.832%0.32125%0.254SS..Hα-helixtrans-71.7-34.7179.6175.10000111.2W95 Y108 A155 P169W95-V159 HydrophobicContact CH2-CG2 4.02Å; W95-V159 HydrophobicContact CZ2-CG2 4.48Å; Y108-V159 HydrophobicContact CD1-CG2 4.5Å; Y108-V159 HydrophobicContact CD2-CG2 4.15Å; Y108-V159 HydrophobicContact CE1-CG2 4.39Å; Y108-V159 HydrophobicContact CE2-CG1 4.33Å; Y108-V159 HydrophobicContact CE2-CG2 4.01Å; Y108-V159 HydrophobicContact CG-CG2 4.38Å; A155-V159 WeakPolarHBondContact O-CB 3.23Å; A155-V159 WeakPolarHBondContact O-CG2 3.29Å; A155-V159 PolarHBondContact O-N 3.32Å; V159-P169 HydrophobicContact CB-CB 3.87Å; V159-P169 HydrophobicContact CG1-CB 3.64Å
160G94.8Very high94.5Very high12 Ų1247.2 Ų47.212%0.12426%0.256CS..  trans129.4116.1176.200000112.1A156 P169A156-G160 CarbonylContact O-C 3.52Å; A156-G160 WeakPolarHBondContact O-CA 3.28Å; A156-G160 PolarHBondContact O-N 2.96Å; G160-P169 VanDerWaalsContact O-CB 3.28Å; G160-P169 WeakPolarHBondContact O-CB 3.34Å; G160-P169 WeakPolarHBondContact O-CD 3.16Å; G160-P169 VanDerWaalsContact O-CG 3.26Å; G160-P169 WeakPolarHBondContact O-CG 3.38Å
161A89.3Confident94.4Very high5 Ų548.2 Ų48.24%0.04126%0.262CS..  trans-59.7146.7-175.500000113C53 A156 K163 V164 T165C53-A161 HydrophobicContact CB-CB 4.03Å; A156-A161 PolarHBondContact O-N 2.88Å; A161-K163 VanDerWaalsContact C-N 3.31Å; A161-K163 PolarHBondContact O-N 3.07Å; A161-V164 HydrophobicContact CB-CB 4.02Å; A161-V164 HydrophobicContact CB-CG2 3.68Å; A161-V164 WeakPolarHBondContact O-CA 3.41Å; A161-V164 WeakPolarHBondContact O-CB 3.38Å; A161-V164 PolarHBondContact O-N 3.49Å; A161-T165 PolarHBondContact O-N 3.16Å; A161-T165 PolarHBondContact O-OG1 2.83Å
162A87.4Confident94.4Very high31 Ų3149.5 Ų49.526%0.25627%0.268SS..Hα-helixtrans-57.1-39.3-171.500000114.3H51 G166 Q167H51-A162 PolarHBondContact O-N 3.15Å; A162-G166 CarbonylContact O-C 3.53Å; A162-G166 VanDerWaalsContact O-CA 3.23Å; A162-G166 WeakPolarHBondContact O-CA 3.35Å; A162-G166 PolarHBondContact O-N 3.44Å; A162-Q167 WeakPolarHBondContact CA-O 3.31Å
163K90.3Very high94.4Very high129 Ų12949.5 Ų49.556%0.56127%0.268SS*.Hα-helixtrans-90.2-3.5177.6-65.4-65.5-174.1-178.50114H51 Y52 A161H51-K163 HydrophobicContact CB-CG 3.81Å; H51-K163 PolarHBondContact O-N 3.47Å; H51-K163 VanDerWaalsContact O-N 3.08Å; Y52-K163 HydrophobicContact CD1-CB 3.7Å; Y52-K163 HydrophobicContact CD2-CB 4.3Å; Y52-K163 HydrophobicContact CE1-CB 3.32Å; Y52-K163 HydrophobicContact CE1-CG 4.2Å; Y52-K163 HydrophobicContact CE2-CB 3.97Å; Y52-K163 HydrophobicContact CE2-CG 4Å; Y52-K163 HydrophobicContact CG-CB 4.17Å; Y52-K163 VanDerWaalsContact CZ-CB 3.47Å; A161-K163 VanDerWaalsContact C-N 3.31Å; A161-K163 PolarHBondContact O-N 3.07Å
164V88.2Confident94.4Very high102 Ų10250.1 Ų50.162%0.61827%0.273SS*.Hα-helixtrans-91.6-44.5174.1178.30000110.3A161A161-V164 HydrophobicContact CB-CB 4.02Å; A161-V164 HydrophobicContact CB-CG2 3.68Å; A161-V164 WeakPolarHBondContact O-CA 3.41Å; A161-V164 WeakPolarHBondContact O-CB 3.38Å; A161-V164 PolarHBondContact O-N 3.49Å
165T90.6Very high94.5Very high75 Ų7548.1 Ų48.146%0.4627%0.265SS..Hα-helixtrans-95.9-17-179.464.20000113.6A161 Q167A161-T165 PolarHBondContact O-N 3.16Å; A161-T165 PolarHBondContact O-OG1 2.83Å; T165-Q167 PolarHBondContact O-N 3.07Å; T165-Q167 PolarHBondContact OG1-N 3.16Å; T165-Q167 PolarHBondContact OG1-O 3.38Å; T165-Q167 VanDerWaalsContact OG1-O 3.07Å
166G87.9Confident94.4Very high67 Ų6749.9 Ų49.969%0.69127%0.274SS*.SBendtrans77.5-0.9-171.700000114.1A162A162-G166 CarbonylContact O-C 3.53Å; A162-G166 VanDerWaalsContact O-CA 3.23Å; A162-G166 WeakPolarHBondContact O-CA 3.35Å; A162-G166 PolarHBondContact O-N 3.44Å
167Q90.4Very high94.4Very high151 Ų15150.5 Ų50.571%0.70628%0.28SS*.SBendtrans-122.2144178.8-65.5-175.2-800110.4A162 T165 P169A162-Q167 WeakPolarHBondContact CA-O 3.31Å; T165-Q167 PolarHBondContact O-N 3.07Å; T165-Q167 PolarHBondContact OG1-N 3.16Å; T165-Q167 PolarHBondContact OG1-O 3.38Å; T165-Q167 VanDerWaalsContact OG1-O 3.07Å; Q167-P169 VanDerWaalsContact O-CD 3.3Å; Q167-P169 WeakPolarHBondContact O-CD 3.5Å
168R91.9Very high94.4Very high142 Ų14246.6 Ų46.654%0.53626%0.263SS..  trans-69.6119.6175.1-72.5-179.8175.4-132.85.7108.9I170 T171 F201 G202R168-I170 PolarHBondContact O-N 2.81Å; R168-T171 HydrophobicContact CB-CG2 4.38Å; R168-F201 PolarHBondContact NH1-O 2.88Å; R168-G202 PolarHBondContact NH1-O 2.9Å; R168-G202 PolarHBondContact NH2-O 2.86Å
169P93.3Very high94.4Very high16 Ų1644.1 Ų44.110%0.10425%0.254CS..SBendtrans-67.3-28.2178.325.5-33.2000112Y108 A115 A156 V159 G160 Q167Y108-P169 WeakPolarHBondContact CE2-O 3.19Å; A115-P169 VanDerWaalsContact CB-O 3.31Å; A115-P169 WeakPolarHBondContact CB-O 3.29Å; A156-P169 HydrophobicContact CB-CG 3.8Å; V159-P169 HydrophobicContact CB-CB 3.87Å; V159-P169 HydrophobicContact CG1-CB 3.64Å; G160-P169 VanDerWaalsContact O-CB 3.28Å; G160-P169 WeakPolarHBondContact O-CB 3.34Å; G160-P169 WeakPolarHBondContact O-CD 3.16Å; G160-P169 VanDerWaalsContact O-CG 3.26Å; G160-P169 WeakPolarHBondContact O-CG 3.38Å; Q167-P169 VanDerWaalsContact O-CD 3.3Å; Q167-P169 WeakPolarHBondContact O-CD 3.5Å
170I98.1Very high94.5Very high8 Ų841.8 Ų41.84%0.04124%0.24CC..  trans-133.7127.9-176.9-61160.1000107.4L117 V152 A155 A156 R168 N172 V173 L203L117-I170 HydrophobicContact CB-CD1 4.28Å; L117-I170 HydrophobicContact CB-CG1 4.42Å; L117-I170 HydrophobicContact CB-CG2 4Å; L117-I170 HydrophobicContact CD2-CD1 3.87Å; L117-I170 HydrophobicContact CG-CD1 4.47Å; V152-I170 HydrophobicContact CG1-CD1 3.92Å; A155-I170 HydrophobicContact CB-CD1 4.08Å; A156-I170 HydrophobicContact CB-CD1 4.17Å; R168-I170 PolarHBondContact O-N 2.81Å; I170-N172 WeakPolarHBondContact CG2-O 3.47Å; I170-V173 HydrophobicContact CG2-CG2 3.93Å; I170-L203 WeakPolarHBondContact O-CD2 3.4Å
171T98.1Very high94.7Very high23 Ų2341.4 Ų41.414%0.14124%0.235CC..SBendtrans-111.3-18.7177.560.20000112.5R114 A115 R168 R207R114-T171 WeakPolarHBondContact CA-OG1 3.35Å; R114-T171 WeakPolarHBondContact CB-OG1 3.38Å; A115-T171 PolarHBondContact N-OG1 3.06Å; A115-T171 PolarHBondContact O-N 3.33Å; A115-T171 PolarHBondContact O-OG1 3.46Å; A115-T171 VanDerWaalsContact O-OG1 3.12Å; R168-T171 HydrophobicContact CB-CG2 4.38Å; T171-R207 WeakPolarHBondContact O-CB 3.44Å; T171-R207 WeakPolarHBondContact O-CD 3.4Å
172N98.6Very high95.1Very high26 Ų2641.3 Ų41.314%0.13923%0.234CC..EExtended strand (participates in β ladder)trans-138.3142.5-177.6-68.269.4000110.2A115 T116 L117 I170 R207A115-N172 PolarHBondContact O-N 3.29Å; T116-N172 CarbonylContact C-O 3.59Å; T116-N172 WeakPolarHBondContact CA-O 3.17Å; T116-N172 HydrophobicContact CG2-CB 3.98Å; L117-N172 PolarHBondContact N-O 3.36Å; I170-N172 WeakPolarHBondContact CG2-O 3.47Å; N172-R207 CarbonylContact C-O 3.56Å; N172-R207 VanDerWaalsContact CA-O 3.24Å; N172-R207 WeakPolarHBondContact CA-O 3.49Å; N172-R207 HydrophobicContact CB-CB 4.48Å; N172-R207 WeakPolarHBondContact ND2-CB 3.42Å
173V98.8Very high95.7Very high0 Ų043.2 Ų43.20%024%0.239CC..EExtended strand (participates in β ladder)trans-126.5136.3170.6174.90000108.5L117 V119 V152 I170 M175 M195 L203 R207 V208 T209L117-V173 HydrophobicContact CB-CG2 4.41Å; L117-V173 CarbonylContact O-C 3.29Å; L117-V173 WeakPolarHBondContact O-CA 3.27Å; V119-V173 HydrophobicContact CB-CG1 4.43Å; V119-V173 HydrophobicContact CG2-CG1 3.82Å; V152-V173 HydrophobicContact CG1-CG2 4.46Å; V152-V173 HydrophobicContact CG2-CG2 4.45Å; I170-V173 HydrophobicContact CG2-CG2 3.93Å; V173-M175 HydrophobicContact CG1-SD 4.27Å; V173-M195 HydrophobicContact CB-SD 4.16Å; V173-M195 HydrophobicContact CG1-CE 4.2Å; V173-M195 HydrophobicContact CG1-SD 3.71Å; V173-M195 HydrophobicContact CG2-SD 4.4Å; V173-L203 HydrophobicContact CB-CD1 4.24Å; V173-L203 HydrophobicContact CG2-CD1 3.49Å; V173-L203 VanDerWaalsContact CG2-CD1 3.49Å; V173-R207 PolarHBondContact N-O 3.13Å; V173-V208 CarbonylContact O-C 3.58Å; V173-V208 VanDerWaalsContact O-CA 3.31Å; V173-V208 WeakPolarHBondContact O-CA 3.33Å; V173-T209 PolarHBondContact O-N 3.39Å
174V98.8Very high96.1Very high15 Ų1537.1 Ų37.19%0.09121%0.213CC..EExtended strand (participates in β ladder)trans-123.9130.2173.9-59.40000110T116 L117 C118 V119 M176 T209T116-V174 HydrophobicContact CG2-CG1 3.9Å; T116-V174 HydrophobicContact CG2-CG2 4.06Å; L117-V174 PolarHBondContact O-N 3.26Å; C118-V174 WeakPolarHBondContact CA-O 3.44Å; C118-V174 HydrophobicContact CB-CG2 4Å; V119-V174 PolarHBondContact N-O 3.45Å; V174-M176 HydrophobicContact CB-CB 4.41Å; V174-M176 HydrophobicContact CB-CG 4.04Å; V174-M176 HydrophobicContact CB-SD 3.91Å; V174-M176 HydrophobicContact CG1-SD 4.42Å; V174-M176 HydrophobicContact CG2-CB 4.1Å; V174-M176 HydrophobicContact CG2-CG 4.22Å; V174-M176 HydrophobicContact CG2-SD 4.04Å; V174-M176 PolarHBondContact O-N 2.9Å; V174-T209 CarbonylContact C-O 3.48Å; V174-T209 WeakPolarHBondContact CA-O 3.39Å
175M98.7Very high96.5Very high4 Ų432.9 Ų32.92%0.0219%0.187CC..EExtended strand (participates in β ladder)trans-85.365.3173.7-52-56-60.700108.9V119 I148 V173 P181 M192 M195 T209 L210V119-M175 HydrophobicContact CB-CE 4.28Å; V119-M175 HydrophobicContact CB-SD 4.07Å; V119-M175 HydrophobicContact CG1-CE 3.95Å; V119-M175 HydrophobicContact CG1-SD 4.23Å; I148-M175 HydrophobicContact CG2-CE 3.89Å; V173-M175 HydrophobicContact CG1-SD 4.27Å; M175-P181 HydrophobicContact CB-CB 4.32Å; M175-P181 HydrophobicContact CB-CG 3.73Å; M175-M192 HydrophobicContact CG-SD 4.26Å; M175-M195 HydrophobicContact SD-CE 4.21Å; M175-T209 PolarHBondContact N-O 2.78Å; M175-L210 HydrophobicContact CB-CG 4.47Å
176M98.2Very high96.9Very high37 Ų3735.1 Ų35.118%0.18220%0.196CC..  trans-12614.8-176.9-65.6174177.700111.8C118 V174 T209 A231 E278 R344C118-M176 PolarHBondContact SG-O 3.23Å; C118-M176 VanDerWaalsContact SG-O 3.37Å; V174-M176 HydrophobicContact CB-CB 4.41Å; V174-M176 HydrophobicContact CB-CG 4.04Å; V174-M176 HydrophobicContact CB-SD 3.91Å; V174-M176 HydrophobicContact CG1-SD 4.42Å; V174-M176 HydrophobicContact CG2-CB 4.1Å; V174-M176 HydrophobicContact CG2-CG 4.22Å; V174-M176 HydrophobicContact CG2-SD 4.04Å; V174-M176 PolarHBondContact O-N 2.9Å; M176-T209 HydrophobicContact CE-CG2 4.3Å; M176-A231 HydrophobicContact CE-CB 3.82Å; M176-E278 WeakPolarHBondContact CE-OE1 3.48Å; M176-E278 VanDerWaalsContact SD-OE1 3.4Å; M176-R344 PolarHBondContact SD-NH1 3.3Å
177G97.2Very high97.4Very high14 Ų1433.7 Ų33.714%0.14417%0.173CC..SBendtrans-76.3-142.3174.100000111.1C118 V119C118-G177 PolarHBondContact SG-N 3.18Å; V119-G177 WeakPolarHBondContact O-CA 3.31Å; V119-G177 PolarHBondContact O-N 3.08Å; V119-G177 VanDerWaalsContact O-N 3.08Å
178M97.9Very high97.8Very high0 Ų026.5 Ų26.50%014%0.139CC..SBendtrans-78.3132.8176.7-58.117171.600111.4V104 E105 S120 S121 Q122 T134 L358 A359 V362V104-M178 HydrophobicContact CB-SD 4.14Å; V104-M178 HydrophobicContact CG1-SD 4.33Å; E105-M178 HydrophobicContact CB-SD 4.32Å; E105-M178 HydrophobicContact CG-SD 4.42Å; S120-M178 CarbonylContact C-O 3.45Å; S120-M178 WeakPolarHBondContact CA-O 3.31Å; S120-M178 WeakPolarHBondContact OG-CB 3.35Å; S120-M178 PolarHBondContact OG-N 3.43Å; S121-M178 PolarHBondContact N-O 3.26Å; S121-M178 PolarHBondContact OG-O 3.03Å; Q122-M178 PolarHBondContact N-O 3.32Å; Q122-M178 VanDerWaalsContact N-O 3.11Å; T134-M178 HydrophobicContact CG2-CB 3.67Å; T134-M178 HydrophobicContact CG2-CE 4.05Å; T134-M178 HydrophobicContact CG2-CG 3.89Å; M178-L358 HydrophobicContact CG-CB 3.79Å; M178-L358 HydrophobicContact CG-CD1 4.42Å; M178-L358 HydrophobicContact SD-CB 4.41Å; M178-A359 WeakPolarHBondContact CE-O 3.38Å; M178-V362 HydrophobicContact CE-CG2 3.85Å
179G97.8Very high98.2Very high16 Ų1619.9 Ų19.917%0.16512%0.115CC..SBendtrans99.2158.3172.800000115.5S121 G124 P181S121-G179 PolarHBondContact OG-O 3.17Å; G124-G179 WeakPolarHBondContact O-CA 3.34Å; G179-P181 WeakPolarHBondContact O-CD 3.4Å
180E98.5Very high98.4Very high5 Ų519.8 Ų19.82%0.02311%0.114CC..  trans-87.6111.6173168.755.9-125.300110.1L127 L182 L183 T212 S213 V215L127-E180 HydrophobicContact CD1-CB 3.64Å; L127-E180 HydrophobicContact CD1-CG 3.77Å; L127-E180 HydrophobicContact CG-CB 4Å; L127-E180 HydrophobicContact CG-CG 4.4Å; E180-L182 VanDerWaalsContact C-N 3.28Å; E180-L182 HydrophobicContact CG-CB 4.45Å; E180-L182 PolarHBondContact O-N 3.21Å; E180-L182 VanDerWaalsContact OE1-CB 3.24Å; E180-L182 WeakPolarHBondContact OE1-CB 3.32Å; E180-L182 WeakPolarHBondContact OE1-CG 3.35Å; E180-L182 PolarHBondContact OE1-N 3.33Å; E180-L183 HydrophobicContact CB-CB 4.44Å; E180-L183 HydrophobicContact CB-CD1 4.11Å; E180-L183 HydrophobicContact CB-CG 4.24Å; E180-L183 HydrophobicContact CG-CB 4.24Å; E180-L183 HydrophobicContact CG-CD1 4.04Å; E180-L183 HydrophobicContact CG-CG 3.76Å; E180-L183 PolarHBondContact O-N 3.05Å; E180-L183 VanDerWaalsContact O-N 3.08Å; E180-T212 VanDerWaalsContact CD-OG1 3.26Å; E180-T212 VanDerWaalsContact OE1-CB 3.28Å; E180-T212 WeakPolarHBondContact OE1-CB 3.24Å; E180-T212 PolarHBondContact OE1-OG1 3.24Å; E180-T212 WeakPolarHBondContact OE2-CA 3.32Å; E180-T212 PolarHBondContact OE2-OG1 2.93Å; E180-S213 PolarHBondContact OE2-N 2.89Å; E180-V215 HydrophobicContact CG-CG2 3.96Å
181P98.7Very high98.5Very high3 Ų319.4 Ų19.42%0.01911%0.112CC..G310 helixtrans-59.9-35.3-175.2-25.736.3000113.7M175 G179 L183 N184 V188 L210 S211M175-P181 HydrophobicContact CB-CB 4.32Å; M175-P181 HydrophobicContact CB-CG 3.73Å; G179-P181 WeakPolarHBondContact O-CD 3.4Å; P181-L183 PolarHBondContact O-N 3.48Å; P181-N184 CarbonylContact O-C 3.53Å; P181-N184 PolarHBondContact O-N 2.83Å; P181-V188 HydrophobicContact CB-CG1 4.18Å; P181-V188 HydrophobicContact CB-CG2 4.3Å; P181-L210 HydrophobicContact CB-CD1 3.85Å; P181-L210 HydrophobicContact CB-CD2 4.29Å; P181-L210 HydrophobicContact CB-CG 3.88Å; P181-L210 HydrophobicContact CG-CG 4.31Å; P181-S211 VanDerWaalsContact CD-O 3.31Å; P181-S211 WeakPolarHBondContact CD-O 3.41Å; P181-S211 WeakPolarHBondContact CG-O 3.33Å
182L98.6Very high98.5Very high4 Ų418.3 Ų18.32%0.02111%0.105CC..G310 helixtrans-69.2-17.5-179.5-64.8-169.9000113.6E180 N184 L185 L210 T212 V215 A218 L219 L222E180-L182 VanDerWaalsContact C-N 3.28Å; E180-L182 HydrophobicContact CG-CB 4.45Å; E180-L182 PolarHBondContact O-N 3.21Å; E180-L182 VanDerWaalsContact OE1-CB 3.24Å; E180-L182 WeakPolarHBondContact OE1-CB 3.32Å; E180-L182 WeakPolarHBondContact OE1-CG 3.35Å; E180-L182 PolarHBondContact OE1-N 3.33Å; L182-N184 PolarHBondContact O-N 2.73Å; L182-L185 HydrophobicContact CD2-CD2 3.94Å; L182-L210 HydrophobicContact CD2-CD1 4.4Å; L182-L210 HydrophobicContact CD2-CD2 3.93Å; L182-L210 HydrophobicContact CG-CD2 4.27Å; L182-T212 HydrophobicContact CD1-CG2 3.9Å; L182-T212 WeakPolarHBondContact CD1-OG1 3.49Å; L182-T212 HydrophobicContact CG-CG2 4.45Å; L182-T212 WeakPolarHBondContact CG-OG1 3.32Å; L182-V215 HydrophobicContact CB-CB 4.08Å; L182-V215 HydrophobicContact CB-CG2 4.48Å; L182-V215 HydrophobicContact CD1-CB 4.27Å; L182-A218 HydrophobicContact CB-CB 3.81Å; L182-A218 HydrophobicContact CD1-CB 4.41Å; L182-A218 WeakPolarHBondContact O-CB 3.5Å; L182-L219 HydrophobicContact CD1-CB 3.78Å; L182-L219 HydrophobicContact CD1-CD1 4.49Å; L182-L222 HydrophobicContact CD2-CB 4.2Å; L182-L222 HydrophobicContact CD2-CD2 3.96Å
183L98.4Very high98.5Very high70 Ų7020.2 Ų20.237%0.36611%0.113SC..G310 helixtrans-853171.8-65.5179.6000112.8L127 N142 E180 P181 V215L127-L183 HydrophobicContact CD2-CD1 3.87Å; L127-L183 HydrophobicContact CG-CD1 4.47Å; N142-L183 PolarHBondContact ND2-O 3.03Å; E180-L183 HydrophobicContact CB-CB 4.44Å; E180-L183 HydrophobicContact CB-CD1 4.11Å; E180-L183 HydrophobicContact CB-CG 4.24Å; E180-L183 HydrophobicContact CG-CB 4.24Å; E180-L183 HydrophobicContact CG-CD1 4.04Å; E180-L183 HydrophobicContact CG-CG 3.76Å; E180-L183 PolarHBondContact O-N 3.05Å; E180-L183 VanDerWaalsContact O-N 3.08Å; P181-L183 PolarHBondContact O-N 3.48Å; L183-V215 HydrophobicContact CD2-CG1 3.92Å; L183-V215 HydrophobicContact CD2-CG2 3.98Å; L183-V215 HydrophobicContact CG-CG2 4.04Å
184N98.6Very high98.5Very high2 Ų220.2 Ų20.21%0.01111%0.113CC..G310 helixtrans-134.935.1177.8-166.116.9000113.4S121 Q122 N142 L143 P181 L182 N186 N187 V188S121-N184 PolarHBondContact O-ND2 2.74Å; Q122-N184 HydrophobicContact CG-CB 4.35Å; N142-N184 HydrophobicContact CB-CB 4.26Å; N142-N184 VanDerWaalsContact CB-CG 3.49Å; N142-N184 WeakPolarHBondContact CB-OD1 3.24Å; N142-N184 VanDerWaalsContact CG-CG 3.44Å; N142-N184 PolarHBondContact ND2-OD1 3.35Å; L143-N184 PolarHBondContact N-ND2 3.42Å; L143-N184 PolarHBondContact O-ND2 2.79Å; P181-N184 CarbonylContact O-C 3.53Å; P181-N184 PolarHBondContact O-N 2.83Å; L182-N184 PolarHBondContact O-N 2.73Å; N184-N186 PolarHBondContact O-N 3.26Å; N184-N186 VanDerWaalsContact O-N 3.12Å; N184-N187 PolarHBondContact O-N 3.02Å; N184-N187 PolarHBondContact OD1-ND2 2.9Å; N184-V188 HydrophobicContact CB-CG2 3.95Å; N184-V188 WeakPolarHBondContact O-CB 3.34Å; N184-V188 WeakPolarHBondContact O-CG2 3.3Å; N184-V188 PolarHBondContact O-N 3.45Å
185L98.5Very high98.5Very high13 Ų1319.5 Ų19.57%0.06811%0.109CC..Hα-helixtrans-53-37.4-176.6-74.1176000114.2L182 N187 V188 V189 A218 K221 L222L182-L185 HydrophobicContact CD2-CD2 3.94Å; L185-N187 PolarHBondContact O-N 2.65Å; L185-N187 VanDerWaalsContact O-N 3.13Å; L185-V188 PolarHBondContact O-N 3.05Å; L185-V189 HydrophobicContact CD2-CG2 4.02Å; L185-V189 WeakPolarHBondContact O-CB 3.47Å; L185-V189 WeakPolarHBondContact O-CG2 3.48Å; L185-V189 PolarHBondContact O-N 3.08Å; L185-A218 HydrophobicContact CD1-CB 3.91Å; L185-A218 WeakPolarHBondContact CD1-O 3.43Å; L185-K221 HydrophobicContact CD1-CB 4.15Å; L185-K221 HydrophobicContact CD1-CD 4.08Å; L185-K221 HydrophobicContact CD1-CG 4.23Å; L185-L222 HydrophobicContact CD2-CB 4.2Å; L185-L222 HydrophobicContact CD2-CD1 3.68Å
186N98.4Very high98.5Very high122 Ų12221.2 Ų21.265%0.65212%0.118SC*.Hα-helixtrans-58.2-28.3-179.3-70-3.4000113.2N184 P190N184-N186 PolarHBondContact O-N 3.26Å; N184-N186 VanDerWaalsContact O-N 3.12Å; N186-P190 WeakPolarHBondContact O-CD 3.37Å; N186-P190 WeakPolarHBondContact O-CG 3.34Å
187N98.8Very high98.5Very high37 Ų3720.3 Ų20.320%0.19811%0.114CC..Hα-helixtrans-109.1-33.3179.7-60-69.5000112.5L143 V145 I148 N184 L185 A191L143-N187 WeakPolarHBondContact O-CB 3.45Å; L143-N187 PolarHBondContact O-ND2 2.66Å; V145-N187 HydrophobicContact CG2-CB 4.03Å; V145-N187 PolarHBondContact N-OD1 3.33Å; I148-N187 HydrophobicContact CD1-CB 3.9Å; N184-N187 PolarHBondContact O-N 3.02Å; N184-N187 PolarHBondContact OD1-ND2 2.9Å; L185-N187 PolarHBondContact O-N 2.65Å; L185-N187 VanDerWaalsContact O-N 3.13Å; N187-A191 WeakPolarHBondContact O-CB 3.19Å; N187-A191 PolarHBondContact O-N 3.24Å
188V98.8Very high98.6Very high0 Ų025.4 Ų25.40%014%0.138CC..Hα-helixtrans-66.9-42.3-179.9168.70000111.2I148 P181 N184 L185 A191 M192 L210I148-V188 HydrophobicContact CD1-CG2 3.82Å; P181-V188 HydrophobicContact CB-CG1 4.18Å; P181-V188 HydrophobicContact CB-CG2 4.3Å; N184-V188 HydrophobicContact CB-CG2 3.95Å; N184-V188 WeakPolarHBondContact O-CB 3.34Å; N184-V188 WeakPolarHBondContact O-CG2 3.3Å; N184-V188 PolarHBondContact O-N 3.45Å; L185-V188 PolarHBondContact O-N 3.05Å; V188-A191 PolarHBondContact O-N 2.77Å; V188-M192 HydrophobicContact CG1-CE 3.81Å; V188-M192 HydrophobicContact CG1-CG 4.44Å; V188-M192 HydrophobicContact CG1-SD 4.17Å; V188-M192 WeakPolarHBondContact O-CG 3.25Å; V188-M192 PolarHBondContact O-N 3.11Å; V188-L210 HydrophobicContact CG1-CD1 3.93Å
189V98.7Very high98.6Very high3 Ų327.5 Ų27.52%0.01815%0.147CC..Hα-helixtrans-64.2-54-179.6173.90000111.4L185 A191 M192 E193 L222 M225 I226L185-V189 HydrophobicContact CD2-CG2 4.02Å; L185-V189 WeakPolarHBondContact O-CB 3.47Å; L185-V189 WeakPolarHBondContact O-CG2 3.48Å; L185-V189 PolarHBondContact O-N 3.08Å; V189-A191 VanDerWaalsContact C-N 3.27Å; V189-A191 PolarHBondContact O-N 2.77Å; V189-M192 PolarHBondContact O-N 2.88Å; V189-M192 VanDerWaalsContact O-N 3.07Å; V189-E193 HydrophobicContact CG1-CG 4.32Å; V189-E193 WeakPolarHBondContact O-CG 3.46Å; V189-E193 PolarHBondContact O-N 2.93Å; V189-L222 HydrophobicContact CG2-CD1 3.92Å; V189-M225 HydrophobicContact CB-CE 3.94Å; V189-M225 HydrophobicContact CG1-CB 4.22Å; V189-M225 HydrophobicContact CG1-CE 4.05Å; V189-M225 HydrophobicContact CG2-CB 4.33Å; V189-M225 HydrophobicContact CG2-CE 3.81Å; V189-M225 HydrophobicContact CG2-SD 4.26Å; V189-I226 HydrophobicContact CG1-CB 4.18Å; V189-I226 HydrophobicContact CG1-CD1 4.5Å; V189-I226 HydrophobicContact CG1-CG2 4.1Å; V189-I226 HydrophobicContact CG2-CG2 4.09Å
190P98.7Very high98.6Very high14 Ų1426.8 Ų26.89%0.09114%0.139CC..Hα-helixtrans-59.1-35.8177.7-2534.7000113.8N24 V145 N186 E193 I194N24-P190 HydrophobicContact CB-CB 4.34Å; V145-P190 HydrophobicContact CG1-CB 4.13Å; V145-P190 HydrophobicContact CG2-CB 3.82Å; V145-P190 HydrophobicContact CG2-CG 4.14Å; N186-P190 WeakPolarHBondContact O-CD 3.37Å; N186-P190 WeakPolarHBondContact O-CG 3.34Å; P190-E193 WeakPolarHBondContact CA-OE2 3.34Å; P190-E193 PolarHBondContact O-N 3.1Å; P190-I194 WeakPolarHBondContact O-CG1 3.26Å; P190-I194 PolarHBondContact O-N 2.84Å; P190-I194 VanDerWaalsContact O-N 3.13Å
191A98.9Very high98.6Very high0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-64.1-44.517500000111.7V145 I148 I149 N187 V188 V189 I194 M195V145-A191 HydrophobicContact CG1-CB 4.34Å; I148-A191 HydrophobicContact CB-CB 3.87Å; I148-A191 HydrophobicContact CG2-CB 3.58Å; I149-A191 HydrophobicContact CB-CB 4.28Å; N187-A191 WeakPolarHBondContact O-CB 3.19Å; N187-A191 PolarHBondContact O-N 3.24Å; V188-A191 PolarHBondContact O-N 2.77Å; V189-A191 VanDerWaalsContact C-N 3.27Å; V189-A191 PolarHBondContact O-N 2.77Å; A191-I194 PolarHBondContact O-N 2.81Å; A191-M195 HydrophobicContact CB-CE 4.25Å; A191-M195 WeakPolarHBondContact O-CG 3.31Å; A191-M195 PolarHBondContact O-N 3.38Å
192M98.8Very high98.6Very high0 Ų028.3 Ų28.30%015%0.149CC..Hα-helixtrans-66.3-35.9175.7-70.4-171.2-52.900112.2M175 V188 V189 I194 M195 L196 V208 L210 L222 I226 V228M175-M192 HydrophobicContact CG-SD 4.26Å; V188-M192 HydrophobicContact CG1-CE 3.81Å; V188-M192 HydrophobicContact CG1-CG 4.44Å; V188-M192 HydrophobicContact CG1-SD 4.17Å; V188-M192 WeakPolarHBondContact O-CG 3.25Å; V188-M192 PolarHBondContact O-N 3.11Å; V189-M192 PolarHBondContact O-N 2.88Å; V189-M192 VanDerWaalsContact O-N 3.07Å; M192-I194 VanDerWaalsContact C-N 3.29Å; M192-I194 PolarHBondContact O-N 3.41Å; M192-M195 HydrophobicContact CG-SD 4.15Å; M192-M195 WeakPolarHBondContact O-CB 3.28Å; M192-M195 PolarHBondContact O-N 3.22Å; M192-M195 VanDerWaalsContact O-N 3.11Å; M192-L196 VanDerWaalsContact O-CG 3.29Å; M192-L196 WeakPolarHBondContact O-CG 3.45Å; M192-L196 PolarHBondContact O-N 3.43Å; M192-V208 HydrophobicContact CG-CG1 4.08Å; M192-V208 HydrophobicContact SD-CG1 4.1Å; M192-L210 HydrophobicContact CE-CD1 3.8Å; M192-L210 HydrophobicContact SD-CB 4.35Å; M192-L210 HydrophobicContact SD-CD1 4.03Å; M192-L222 HydrophobicContact CE-CD1 4.15Å; M192-I226 HydrophobicContact CB-CD1 3.83Å; M192-I226 HydrophobicContact CE-CD1 4.39Å; M192-I226 HydrophobicContact CE-CG2 3.92Å; M192-V228 HydrophobicContact CE-CG1 4.27Å; M192-V228 HydrophobicContact CE-CG2 4.05Å; M192-V228 HydrophobicContact SD-CG1 4.05Å; M192-V228 HydrophobicContact SD-CG2 4.13Å
193E98.8Very high98.6Very high65 Ų6528.6 Ų28.630%0.30415%0.151SC..Hα-helixtrans-57.4-43.9172.6-69173.9149.200111.2N24 V189 P190 M195 L196 D197 I226N24-E193 HydrophobicContact CB-CB 4.48Å; N24-E193 PolarHBondContact ND2-OE2 2.95Å; V189-E193 HydrophobicContact CG1-CG 4.32Å; V189-E193 WeakPolarHBondContact O-CG 3.46Å; V189-E193 PolarHBondContact O-N 2.93Å; P190-E193 WeakPolarHBondContact CA-OE2 3.34Å; P190-E193 PolarHBondContact O-N 3.1Å; E193-M195 VanDerWaalsContact C-N 3.34Å; E193-M195 PolarHBondContact O-N 2.92Å; E193-L196 PolarHBondContact O-N 2.8Å; E193-D197 WeakPolarHBondContact O-CB 3.35Å; E193-D197 PolarHBondContact O-N 3.37Å; E193-I226 HydrophobicContact CG-CD1 3.87Å
194I98.8Very high98.5Very high1 Ų127.9 Ų27.91%0.00515%0.152CC..Hα-helixtrans-65.9-36.1175.7-61.4161000111.7N24 Y50 V145 I149 P190 A191 M192 L196 G200 F201N24-I194 HydrophobicContact CB-CG1 4.33Å; Y50-I194 HydrophobicContact CD1-CG2 4.18Å; Y50-I194 HydrophobicContact CD2-CG2 4.24Å; Y50-I194 HydrophobicContact CE1-CG2 3.68Å; Y50-I194 HydrophobicContact CE2-CG2 3.75Å; Y50-I194 HydrophobicContact CG-CG2 4.44Å; Y50-I194 VanDerWaalsContact CZ-CG2 3.44Å; V145-I194 HydrophobicContact CG1-CD1 4.11Å; I149-I194 HydrophobicContact CD1-CB 4.07Å; I149-I194 HydrophobicContact CD1-CG2 3.92Å; I149-I194 HydrophobicContact CG1-CB 4.04Å; I149-I194 HydrophobicContact CG1-CD1 4.3Å; I149-I194 HydrophobicContact CG1-CG2 3.71Å; I149-I194 HydrophobicContact CG2-CD1 4.35Å; P190-I194 WeakPolarHBondContact O-CG1 3.26Å; P190-I194 PolarHBondContact O-N 2.84Å; P190-I194 VanDerWaalsContact O-N 3.13Å; A191-I194 PolarHBondContact O-N 2.81Å; M192-I194 VanDerWaalsContact C-N 3.29Å; M192-I194 PolarHBondContact O-N 3.41Å; I194-L196 VanDerWaalsContact C-N 3.26Å; I194-L196 PolarHBondContact O-N 2.95Å; I194-G200 WeakPolarHBondContact O-CA 3.38Å; I194-F201 PolarHBondContact O-N 3.08Å
195M98.8Very high98.5Very high0 Ų031.1 Ų31.10%017%0.166CC..Hα-helixtrans-61.2-37.4174.3-64.9168.5-161.100111.7I148 I149 V152 V173 M175 A191 M192 E193 G202 L203 V208I148-M195 HydrophobicContact CG2-CE 4.19Å; I149-M195 HydrophobicContact CD1-CE 4.1Å; I149-M195 HydrophobicContact CD1-CG 3.62Å; V152-M195 HydrophobicContact CG2-CE 3.87Å; V152-M195 HydrophobicContact CG2-CG 4.46Å; V173-M195 HydrophobicContact CB-SD 4.16Å; V173-M195 HydrophobicContact CG1-CE 4.2Å; V173-M195 HydrophobicContact CG1-SD 3.71Å; V173-M195 HydrophobicContact CG2-SD 4.4Å; M175-M195 HydrophobicContact SD-CE 4.21Å; A191-M195 HydrophobicContact CB-CE 4.25Å; A191-M195 WeakPolarHBondContact O-CG 3.31Å; A191-M195 PolarHBondContact O-N 3.38Å; M192-M195 HydrophobicContact CG-SD 4.15Å; M192-M195 WeakPolarHBondContact O-CB 3.28Å; M192-M195 PolarHBondContact O-N 3.22Å; M192-M195 VanDerWaalsContact O-N 3.11Å; E193-M195 VanDerWaalsContact C-N 3.34Å; E193-M195 PolarHBondContact O-N 2.92Å; M195-G202 PolarHBondContact O-N 2.87Å; M195-L203 HydrophobicContact CB-CD1 4.33Å; M195-L203 VanDerWaalsContact O-CB 3.31Å; M195-L203 WeakPolarHBondContact O-CB 3.39Å; M195-L203 WeakPolarHBondContact O-CG 3.33Å; M195-L203 PolarHBondContact O-N 2.88Å; M195-V208 HydrophobicContact CB-CG2 4.24Å; M195-V208 HydrophobicContact SD-CG1 4.14Å
196L98.6Very high98.4Very high40 Ų4036.8 Ų36.821%0.20919%0.186CC..Hα-helixtrans-85.2-26.4-178.3-61.2178.4000113.7M192 E193 I194 L203 K205 V208 I226 V228M192-L196 VanDerWaalsContact O-CG 3.29Å; M192-L196 WeakPolarHBondContact O-CG 3.45Å; M192-L196 PolarHBondContact O-N 3.43Å; E193-L196 PolarHBondContact O-N 2.8Å; I194-L196 VanDerWaalsContact C-N 3.26Å; I194-L196 PolarHBondContact O-N 2.95Å; L196-L203 WeakPolarHBondContact CD2-O 3.39Å; L196-K205 HydrophobicContact CD2-CB 4.16Å; L196-V208 HydrophobicContact CD2-CB 4.12Å; L196-V208 HydrophobicContact CD2-CG2 3.6Å; L196-V208 HydrophobicContact CG-CG2 4.48Å; L196-I226 HydrophobicContact CD1-CD1 3.98Å; L196-I226 HydrophobicContact CD1-CG1 4.37Å; L196-V228 HydrophobicContact CD1-CG1 4.06Å
197D98.7Very high98.4Very high18 Ų1837 Ų3710%0.09618%0.178CC..  trans-63.8135.1-174.5-158.8-63.1000111.8R25 E193 F199 G200 F201 G202R25-D197 VanDerWaalsContact CB-OD2 3.27Å; R25-D197 WeakPolarHBondContact CB-OD2 3.25Å; R25-D197 WeakPolarHBondContact CD-OD2 3.28Å; R25-D197 IonicContact CZ-OD1 3.72Å; R25-D197 IonicContact CZ-OD2 3.06Å; R25-D197 IonicContact NE-OD1 2.98Å; R25-D197 IonicContact NE-OD2 3.28Å; R25-D197 PolarHBondContact NE-OD2 3.12Å; R25-D197 IonicContact NH1-OD1 2.7Å; R25-D197 PolarHBondContact NH1-OD1 3.19Å; R25-D197 IonicContact NH1-OD2 2.74Å; R25-D197 PolarHBondContact NH1-OD2 3Å; R25-D197 VanDerWaalsContact NH1-OD2 3.12Å; R25-D197 IonicContact NH2-OD2 3.81Å; E193-D197 WeakPolarHBondContact O-CB 3.35Å; E193-D197 PolarHBondContact O-N 3.37Å; D197-F199 PolarHBondContact O-N 2.94Å; D197-F199 PolarHBondContact OD1-N 3.14Å; D197-G200 CarbonylContact O-C 3.58Å; D197-G200 VanDerWaalsContact O-C 3.29Å; D197-G200 VanDerWaalsContact O-CA 3.24Å; D197-G200 WeakPolarHBondContact O-CA 3.49Å; D197-G200 PolarHBondContact O-N 3.48Å; D197-F201 PolarHBondContact O-N 3.28Å; D197-G202 VanDerWaalsContact O-CA 3.23Å; D197-G202 WeakPolarHBondContact O-CA 3.44Å; D197-G202 PolarHBondContact O-N 2.86Å
198D98.2Very high98.4Very high121 Ų12135.2 Ų35.265%0.64717%0.168SC*.THydrogen-bonded Turntrans-60.6-28.7177.1-67-41.5000113H51H51-D198 PolarHBondContact CE1-O 2.85Å; H51-D198 VanDerWaalsContact CE1-O 3.27Å; H51-D198 PolarHBondContact NE2-O 3.43Å
199F98.4Very high98.4Very high44 Ų4436.4 Ų36.419%0.19318%0.175CC..THydrogen-bonded Turntrans-87.8-12.2172.4-54.3-53.6000112.9D43 M46 K47 D197D43-F199 HydrophobicContact CB-CD1 4.25Å; D43-F199 HydrophobicContact CB-CD2 3.76Å; D43-F199 HydrophobicContact CB-CE1 4.17Å; D43-F199 HydrophobicContact CB-CE2 3.66Å; D43-F199 HydrophobicContact CB-CG 4.05Å; D43-F199 HydrophobicContact CB-CZ 3.87Å; D43-F199 WeakPolarHBondContact OD2-CE2 3.3Å; M46-F199 CarbonylContact C-O 3.45Å; M46-F199 VanDerWaalsContact C-O 3.24Å; M46-F199 HydrophobicContact CB-CB 3.9Å; K47-F199 HydrophobicContact CD-CD1 4.15Å; K47-F199 HydrophobicContact CG-CB 4.46Å; K47-F199 HydrophobicContact CG-CD1 3.88Å; D197-F199 PolarHBondContact O-N 2.94Å; D197-F199 PolarHBondContact OD1-N 3.14Å
200G98.5Very high98.4Very high0 Ų036.2 Ų36.20%018%0.175CC..THydrogen-bonded Turntrans-87-130.716700000111.5H51 I194 D197H51-G200 PolarHBondContact CD2-O 2.98Å; H51-G200 PolarHBondContact NE2-O 3.25Å; H51-G200 VanDerWaalsContact NE2-O 3.08Å; I194-G200 WeakPolarHBondContact O-CA 3.38Å; D197-G200 CarbonylContact O-C 3.58Å; D197-G200 VanDerWaalsContact O-C 3.29Å; D197-G200 VanDerWaalsContact O-CA 3.24Å; D197-G200 WeakPolarHBondContact O-CA 3.49Å; D197-G200 PolarHBondContact O-N 3.48Å
201F98.3Very high98.4Very high27 Ų2735.9 Ų35.912%0.11817%0.172CC..THydrogen-bonded Turntrans-84.4-12177.6-66.8-78.8000113.8Y50 I149 V152 W153 A156 R168 I194 D197 L203Y50-F201 HydrophobicContact CD1-CD2 4.35Å; Y50-F201 AromaticContact CD1-CE2 3.66Å; Y50-F201 HydrophobicContact CD1-CE2 3.66Å; Y50-F201 AromaticContact CD1-CZ 3.84Å; Y50-F201 HydrophobicContact CD1-CZ 3.84Å; Y50-F201 HydrophobicContact CE1-CE2 4.25Å; Y50-F201 HydrophobicContact CG-CE2 4.48Å; I149-F201 HydrophobicContact CD1-CD2 3.98Å; I149-F201 HydrophobicContact CD1-CE2 3.66Å; I149-F201 HydrophobicContact CG1-CE2 4.07Å; V152-F201 HydrophobicContact CB-CD2 4.48Å; V152-F201 HydrophobicContact CB-CE2 3.85Å; V152-F201 HydrophobicContact CB-CZ 3.99Å; V152-F201 HydrophobicContact CG1-CD1 4.11Å; V152-F201 HydrophobicContact CG1-CD2 3.81Å; V152-F201 HydrophobicContact CG1-CE1 3.87Å; V152-F201 HydrophobicContact CG1-CE2 3.55Å; V152-F201 HydrophobicContact CG1-CG 4.08Å; V152-F201 HydrophobicContact CG1-CZ 3.59Å; W153-F201 HydrophobicContact CB-CZ 4.23Å; A156-F201 HydrophobicContact CB-CE1 3.87Å; R168-F201 PolarHBondContact NH1-O 2.88Å; I194-F201 PolarHBondContact O-N 3.08Å; D197-F201 PolarHBondContact O-N 3.28Å; F201-L203 VanDerWaalsContact C-N 3.25Å; F201-L203 HydrophobicContact CB-CD1 4.48Å; F201-L203 HydrophobicContact CB-CG 4Å; F201-L203 PolarHBondContact O-N 2.9Å
202G98Very high98.4Very high13 Ų1335.9 Ų35.913%0.13417%0.173CC..  trans55.737.8177.900000113.1R168 M195 D197R168-G202 PolarHBondContact NH1-O 2.9Å; R168-G202 PolarHBondContact NH2-O 2.86Å; M195-G202 PolarHBondContact O-N 2.87Å; D197-G202 VanDerWaalsContact O-CA 3.23Å; D197-G202 WeakPolarHBondContact O-CA 3.44Å; D197-G202 PolarHBondContact O-N 2.86Å
203L98.2Very high98.4Very high11 Ų1136.6 Ų36.66%0.05818%0.177CC..  trans-76.1149.9177.7-60.2-178.1000110.5I170 V173 M195 L196 F201 V208I170-L203 WeakPolarHBondContact O-CD2 3.4Å; V173-L203 HydrophobicContact CB-CD1 4.24Å; V173-L203 HydrophobicContact CG2-CD1 3.49Å; V173-L203 VanDerWaalsContact CG2-CD1 3.49Å; M195-L203 HydrophobicContact CB-CD1 4.33Å; M195-L203 VanDerWaalsContact O-CB 3.31Å; M195-L203 WeakPolarHBondContact O-CB 3.39Å; M195-L203 WeakPolarHBondContact O-CG 3.33Å; M195-L203 PolarHBondContact O-N 2.88Å; L196-L203 WeakPolarHBondContact CD2-O 3.39Å; F201-L203 VanDerWaalsContact C-N 3.25Å; F201-L203 HydrophobicContact CB-CD1 4.48Å; F201-L203 HydrophobicContact CB-CG 4Å; F201-L203 PolarHBondContact O-N 2.9Å; L203-V208 HydrophobicContact CB-CG2 3.9Å; L203-V208 HydrophobicContact CD1-CG2 4.07Å
204S97.8Very high98.3Very high55 Ų5533.5 Ų33.539%0.38516%0.163SC..  trans-70.9140172.7-178.20000110.2R206 R207 V208S204-R206 PolarHBondContact O-N 3.43Å; S204-R206 PolarHBondContact OG-N 3.23Å; S204-R207 CarbonylContact O-C 3.24Å; S204-R207 WeakPolarHBondContact O-CA 3.32Å; S204-R207 PolarHBondContact O-N 2.91Å; S204-V208 PolarHBondContact O-N 3.32Å
205K97.4Very high98.3Very high69 Ų6934.1 Ų34.130%0.317%0.167SC..G310 helixtrans-54-2617065.5-179.9-176.3-178.60114.4L196 R207 D227 A229 A270L196-K205 HydrophobicContact CD2-CB 4.16Å; K205-R207 PolarHBondContact O-N 2.96Å; K205-D227 WeakPolarHBondContact CB-O 3.25Å; K205-D227 WeakPolarHBondContact CD-OD2 3.47Å; K205-D227 WeakPolarHBondContact CE-OD2 3.38Å; K205-D227 IonicContact NZ-OD2 2.86Å; K205-D227 PolarHBondContact NZ-OD2 2.86Å; K205-A229 PolarHBondContact O-N 3.26Å; K205-A229 VanDerWaalsContact O-N 3.16Å; K205-A270 HydrophobicContact CB-CB 3.95Å; K205-A270 HydrophobicContact CD-CB 3.96Å; K205-A270 HydrophobicContact CG-CB 3.8Å
206R97.7Very high98.3Very high132 Ų13234.6 Ų34.650%0.49817%0.169SC..G310 helixtrans-74.7-10.5175.3-54.5-170-179.4164.44.6113.5S204 A270 Q272S204-R206 PolarHBondContact O-N 3.43Å; S204-R206 PolarHBondContact OG-N 3.23Å; R206-A270 WeakPolarHBondContact CG-O 3.24Å; R206-Q272 VanDerWaalsContact CZ-NE2 3.34Å
207R98.1Very high98.3Very high126 Ų12636 Ų3648%0.47518%0.181SC..G310 helixtrans-120.74-174.7-62-173.8-175.5-177-1.8112.5T171 N172 V173 S204 K205T171-R207 WeakPolarHBondContact O-CB 3.44Å; T171-R207 WeakPolarHBondContact O-CD 3.4Å; N172-R207 CarbonylContact C-O 3.56Å; N172-R207 VanDerWaalsContact CA-O 3.24Å; N172-R207 WeakPolarHBondContact CA-O 3.49Å; N172-R207 HydrophobicContact CB-CB 4.48Å; N172-R207 WeakPolarHBondContact ND2-CB 3.42Å; V173-R207 PolarHBondContact N-O 3.13Å; S204-R207 CarbonylContact O-C 3.24Å; S204-R207 WeakPolarHBondContact O-CA 3.32Å; S204-R207 PolarHBondContact O-N 2.91Å; K205-R207 PolarHBondContact O-N 2.96Å
208V98.7Very high98.3Very high0 Ų035.9 Ų35.90%018%0.182CC..EExtended strand (participates in β ladder)trans-108.6105.3165.7-179.10000106.6V173 M192 M195 L196 L203 S204 V228 A229V173-V208 CarbonylContact O-C 3.58Å; V173-V208 VanDerWaalsContact O-CA 3.31Å; V173-V208 WeakPolarHBondContact O-CA 3.33Å; M192-V208 HydrophobicContact CG-CG1 4.08Å; M192-V208 HydrophobicContact SD-CG1 4.1Å; M195-V208 HydrophobicContact CB-CG2 4.24Å; M195-V208 HydrophobicContact SD-CG1 4.14Å; L196-V208 HydrophobicContact CD2-CB 4.12Å; L196-V208 HydrophobicContact CD2-CG2 3.6Å; L196-V208 HydrophobicContact CG-CG2 4.48Å; L203-V208 HydrophobicContact CB-CG2 3.9Å; L203-V208 HydrophobicContact CD1-CG2 4.07Å; S204-V208 PolarHBondContact O-N 3.32Å; V208-V228 HydrophobicContact CG1-CG1 4.29Å; V208-A229 WeakPolarHBondContact O-CB 3.48Å; V208-A229 PolarHBondContact O-N 2.9Å; V208-A229 VanDerWaalsContact O-N 3.07Å
209T98.8Very high98.3Very high25 Ų2530.1 Ų30.115%0.15315%0.152CC..EExtended strand (participates in β ladder)trans-108.4118.1-175.4-52.80000110.4V173 V174 M175 M176 A229 A231V173-T209 PolarHBondContact O-N 3.39Å; V174-T209 CarbonylContact C-O 3.48Å; V174-T209 WeakPolarHBondContact CA-O 3.39Å; M175-T209 PolarHBondContact N-O 2.78Å; M176-T209 HydrophobicContact CE-CG2 4.3Å; T209-A229 CarbonylContact C-O 3.29Å; T209-A229 VanDerWaalsContact CA-O 3.31Å; T209-A229 WeakPolarHBondContact CA-O 3.33Å; T209-A229 HydrophobicContact CG2-CB 4.38Å; T209-A231 HydrophobicContact CG2-CB 3.79Å
210L98.8Very high98.3Very high0 Ų030.2 Ų30.20%015%0.154CC..EExtended strand (participates in β ladder)trans-89123.9169.4-173.7149.8000109M175 P181 L182 V188 M192 T212 L222 V228 A229 L230 A231M175-L210 HydrophobicContact CB-CG 4.47Å; P181-L210 HydrophobicContact CB-CD1 3.85Å; P181-L210 HydrophobicContact CB-CD2 4.29Å; P181-L210 HydrophobicContact CB-CG 3.88Å; P181-L210 HydrophobicContact CG-CG 4.31Å; L182-L210 HydrophobicContact CD2-CD1 4.4Å; L182-L210 HydrophobicContact CD2-CD2 3.93Å; L182-L210 HydrophobicContact CG-CD2 4.27Å; V188-L210 HydrophobicContact CG1-CD1 3.93Å; M192-L210 HydrophobicContact CE-CD1 3.8Å; M192-L210 HydrophobicContact SD-CB 4.35Å; M192-L210 HydrophobicContact SD-CD1 4.03Å; L210-T212 HydrophobicContact CD2-CG2 4.49Å; L210-L222 HydrophobicContact CD1-CD1 4.3Å; L210-L222 HydrophobicContact CD1-CD2 4.06Å; L210-L222 HydrophobicContact CD2-CD2 4.27Å; L210-V228 HydrophobicContact CB-CG2 4.16Å; L210-A229 PolarHBondContact N-O 2.65Å; L210-L230 HydrophobicContact CD2-CD1 4.25Å; L210-A231 PolarHBondContact O-N 3.35Å
211S98.6Very high98.3Very high6 Ų635.4 Ų35.44%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-100.1145.5169.3-167.10000110.7P181 A231 S233 E278P181-S211 VanDerWaalsContact CD-O 3.31Å; P181-S211 WeakPolarHBondContact CD-O 3.41Å; P181-S211 WeakPolarHBondContact CG-O 3.33Å; S211-A231 WeakPolarHBondContact CA-O 3.25Å; S211-S233 PolarHBondContact OG-OG 3.08Å; S211-E278 PolarHBondContact OG-OE2 3.35Å
212T98.7Very high98.3Very high1 Ų134.1 Ų34.11%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-145.6146.5179-1780000112.3E180 L182 L210 G214 L230 A231 I232 S233 F257E180-T212 VanDerWaalsContact CD-OG1 3.26Å; E180-T212 VanDerWaalsContact OE1-CB 3.28Å; E180-T212 WeakPolarHBondContact OE1-CB 3.24Å; E180-T212 PolarHBondContact OE1-OG1 3.24Å; E180-T212 WeakPolarHBondContact OE2-CA 3.32Å; E180-T212 PolarHBondContact OE2-OG1 2.93Å; L182-T212 HydrophobicContact CD1-CG2 3.9Å; L182-T212 WeakPolarHBondContact CD1-OG1 3.49Å; L182-T212 HydrophobicContact CG-CG2 4.45Å; L182-T212 WeakPolarHBondContact CG-OG1 3.32Å; L210-T212 HydrophobicContact CD2-CG2 4.49Å; T212-G214 VanDerWaalsContact C-N 3.32Å; T212-G214 PolarHBondContact OG1-N 2.88Å; T212-L230 HydrophobicContact CG2-CD1 4.14Å; T212-A231 PolarHBondContact N-O 3.17Å; T212-I232 HydrophobicContact CG2-CG2 4.33Å; T212-S233 PolarHBondContact O-N 3.04Å; T212-F257 HydrophobicContact CG2-CE2 4.17Å; T212-F257 HydrophobicContact CG2-CZ 4Å
213S98.2Very high98.2Very high14 Ų1434.4 Ų34.410%0.09817%0.174CC..SBendtrans-83.3-3.7172.8-60.60000114.2L127 E180 R242 I248L127-S213 VanDerWaalsContact CD1-CB 3.46Å; E180-S213 PolarHBondContact OE2-N 2.89Å; S213-R242 PolarHBondContact O-NH2 3.04Å; S213-I248 WeakPolarHBondContact O-CG2 3.46Å
214G97.9Very high98.2Very high0 Ų039.6 Ų39.60%020%0.202CC..  trans10952170.300000115.8T212 V216 Y252 F257T212-G214 VanDerWaalsContact C-N 3.32Å; T212-G214 PolarHBondContact OG1-N 2.88Å; G214-V216 VanDerWaalsContact C-N 3.3Å; G214-V216 PolarHBondContact O-N 2.92Å; G214-Y252 VanDerWaalsContact O-CD2 3.29Å; G214-Y252 WeakPolarHBondContact O-CD2 3.07Å; G214-F257 VanDerWaalsContact CA-CE2 3.4Å
215V98.1Very high98.2Very high14 Ų1440.5 Ų40.59%0.08520%0.201CC..  trans-81.379.4168.7-171.70000109.5E180 L182 L183 A218 L219 Y252E180-V215 HydrophobicContact CG-CG2 3.96Å; L182-V215 HydrophobicContact CB-CB 4.08Å; L182-V215 HydrophobicContact CB-CG2 4.48Å; L182-V215 HydrophobicContact CD1-CB 4.27Å; L183-V215 HydrophobicContact CD2-CG1 3.92Å; L183-V215 HydrophobicContact CD2-CG2 3.98Å; L183-V215 HydrophobicContact CG-CG2 4.04Å; V215-A218 HydrophobicContact CB-CB 4.18Å; V215-A218 HydrophobicContact CG1-CB 3.79Å; V215-A218 WeakPolarHBondContact O-CA 3.47Å; V215-A218 WeakPolarHBondContact O-CB 3.35Å; V215-A218 PolarHBondContact O-N 3.22Å; V215-L219 PolarHBondContact O-N 3.05Å; V215-Y252 HydrophobicContact CG1-CE2 4.44Å
216V98.4Very high98.2Very high10 Ų1038.1 Ų38.16%0.06119%0.191CC..Hα-helixtrans-48.9-51.1-166.3164.90000114.9G214 A218 L219 D220 Y252 T256 F257 A260G214-V216 VanDerWaalsContact C-N 3.3Å; G214-V216 PolarHBondContact O-N 2.92Å; V216-A218 PolarHBondContact O-N 3.35Å; V216-L219 WeakPolarHBondContact O-CB 3.37Å; V216-L219 PolarHBondContact O-N 3.04Å; V216-D220 PolarHBondContact O-N 2.94Å; V216-D220 VanDerWaalsContact O-N 3.1Å; V216-Y252 HydrophobicContact CB-CD1 3.99Å; V216-Y252 HydrophobicContact CB-CE1 4.42Å; V216-Y252 HydrophobicContact CB-CG 4.07Å; V216-Y252 HydrophobicContact CG2-CD1 4.32Å; V216-Y252 HydrophobicContact CG2-CG 4.05Å; V216-T256 HydrophobicContact CG1-CG2 4.22Å; V216-T256 HydrophobicContact CG2-CG2 4.2Å; V216-F257 HydrophobicContact CG2-CB 4.24Å; V216-F257 HydrophobicContact CG2-CD2 4.3Å; V216-A260 HydrophobicContact CB-CB 4.4Å; V216-A260 HydrophobicContact CG1-CB 3.78Å; V216-A260 HydrophobicContact CG2-CB 4.13Å
217P98.4Very high98.3Very high71 Ų7133.8 Ų33.846%0.46118%0.178SC..Hα-helixtrans-62.6-31179.9-24.135.1000113.7K221 Y252P217-K221 PolarHBondContact O-N 3.07Å; P217-K221 VanDerWaalsContact O-N 3.15Å; P217-Y252 VanDerWaalsContact CD-CZ 3.43Å; P217-Y252 WeakPolarHBondContact CD-OH 3.31Å; P217-Y252 HydrophobicContact CG-CE1 4.08Å; P217-Y252 WeakPolarHBondContact CG-OH 3.33Å
218A98.4Very high98.3Very high14 Ų1427.8 Ų27.812%0.11616%0.156CC..Hα-helixtrans-76.8-28.1176.900000111.7L182 L185 V215 V216 K221 L222L182-A218 HydrophobicContact CB-CB 3.81Å; L182-A218 HydrophobicContact CD1-CB 4.41Å; L182-A218 WeakPolarHBondContact O-CB 3.5Å; L185-A218 HydrophobicContact CD1-CB 3.91Å; L185-A218 WeakPolarHBondContact CD1-O 3.43Å; V215-A218 HydrophobicContact CB-CB 4.18Å; V215-A218 HydrophobicContact CG1-CB 3.79Å; V215-A218 WeakPolarHBondContact O-CA 3.47Å; V215-A218 WeakPolarHBondContact O-CB 3.35Å; V215-A218 PolarHBondContact O-N 3.22Å; V216-A218 PolarHBondContact O-N 3.35Å; A218-K221 PolarHBondContact O-N 3.39Å; A218-L222 WeakPolarHBondContact O-CB 3.44Å; A218-L222 PolarHBondContact O-N 2.77Å
219L98.7Very high98.3Very high0 Ų028.3 Ų28.30%016%0.159CC..Hα-helixtrans-68.5-42.7172.7-179.958.3000111.2L182 V215 V216 K221 L222 G223 L230 F257 A260 V261 Y264L182-L219 HydrophobicContact CD1-CB 3.78Å; L182-L219 HydrophobicContact CD1-CD1 4.49Å; V215-L219 PolarHBondContact O-N 3.05Å; V216-L219 WeakPolarHBondContact O-CB 3.37Å; V216-L219 PolarHBondContact O-N 3.04Å; L219-K221 VanDerWaalsContact C-N 3.31Å; L219-K221 PolarHBondContact O-N 3Å; L219-L222 HydrophobicContact CD1-CD2 4.24Å; L219-L222 WeakPolarHBondContact O-CB 3.46Å; L219-L222 PolarHBondContact O-N 3.38Å; L219-G223 PolarHBondContact O-N 3.04Å; L219-G223 VanDerWaalsContact O-N 3.14Å; L219-L230 HydrophobicContact CD1-CD1 4.03Å; L219-L230 HydrophobicContact CD1-CD2 4.04Å; L219-L230 HydrophobicContact CD2-CD2 4.41Å; L219-F257 HydrophobicContact CD2-CD2 4.44Å; L219-F257 HydrophobicContact CD2-CE2 4.09Å; L219-A260 HydrophobicContact CD2-CB 3.98Å; L219-V261 HydrophobicContact CD2-CG2 4.04Å; L219-Y264 HydrophobicContact CD1-CD2 3.95Å; L219-Y264 HydrophobicContact CD1-CG 4.14Å
220D98.3Very high98.3Very high47 Ų4727.1 Ų27.125%0.25115%0.152SC..Hα-helixtrans-59-46.1173.3-72.3-49.9000110.4V216 L222 G223 D224 R263V216-D220 PolarHBondContact O-N 2.94Å; V216-D220 VanDerWaalsContact O-N 3.1Å; D220-L222 VanDerWaalsContact C-N 3.35Å; D220-L222 PolarHBondContact O-N 2.98Å; D220-G223 PolarHBondContact O-N 3.49Å; D220-D224 PolarHBondContact O-N 3.08Å; D220-R263 VanDerWaalsContact CG-NH2 3.31Å; D220-R263 IonicContact OD1-CZ 3.12Å; D220-R263 IonicContact OD1-NE 3.49Å; D220-R263 PolarHBondContact OD1-NE 3.46Å; D220-R263 IonicContact OD1-NH2 3.79Å; D220-R263 PolarHBondContact OD1-NH2 2.67Å; D220-R263 IonicContact OD2-CZ 2.69Å; D220-R263 IonicContact OD2-NE 3.76Å; D220-R263 IonicContact OD2-NH2 2.95Å; D220-R263 PolarHBondContact OD2-NH2 3.5Å
221K98.1Very high98.3Very high109 Ų10927.1 Ų27.147%0.47415%0.152SC..Hα-helixtrans-61-39.4175.6-169.3176.8-179.3-179.30112.9L185 P217 A218 L219 G223 D224 M225L185-K221 HydrophobicContact CD1-CB 4.15Å; L185-K221 HydrophobicContact CD1-CD 4.08Å; L185-K221 HydrophobicContact CD1-CG 4.23Å; P217-K221 PolarHBondContact O-N 3.07Å; P217-K221 VanDerWaalsContact O-N 3.15Å; A218-K221 PolarHBondContact O-N 3.39Å; L219-K221 VanDerWaalsContact C-N 3.31Å; L219-K221 PolarHBondContact O-N 3Å; K221-G223 VanDerWaalsContact C-N 3.29Å; K221-G223 PolarHBondContact O-N 3.47Å; K221-D224 PolarHBondContact O-N 2.87Å; K221-M225 HydrophobicContact CD-SD 4.36Å; K221-M225 HydrophobicContact CG-SD 3.89Å; K221-M225 VanDerWaalsContact O-CG 3.3Å; K221-M225 WeakPolarHBondContact O-CG 3.43Å; K221-M225 PolarHBondContact O-N 3.18Å
222L98.5Very high98.3Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-58.3-43.5175.9-178.474.6000111L182 L185 V189 M192 L210 A218 L219 D220 D224 M225 I226 Y264L182-L222 HydrophobicContact CD2-CB 4.2Å; L182-L222 HydrophobicContact CD2-CD2 3.96Å; L185-L222 HydrophobicContact CD2-CB 4.2Å; L185-L222 HydrophobicContact CD2-CD1 3.68Å; V189-L222 HydrophobicContact CG2-CD1 3.92Å; M192-L222 HydrophobicContact CE-CD1 4.15Å; L210-L222 HydrophobicContact CD1-CD1 4.3Å; L210-L222 HydrophobicContact CD1-CD2 4.06Å; L210-L222 HydrophobicContact CD2-CD2 4.27Å; A218-L222 WeakPolarHBondContact O-CB 3.44Å; A218-L222 PolarHBondContact O-N 2.77Å; L219-L222 HydrophobicContact CD1-CD2 4.24Å; L219-L222 WeakPolarHBondContact O-CB 3.46Å; L219-L222 PolarHBondContact O-N 3.38Å; D220-L222 VanDerWaalsContact C-N 3.35Å; D220-L222 PolarHBondContact O-N 2.98Å; L222-D224 PolarHBondContact O-N 3.47Å; L222-M225 PolarHBondContact O-N 3.07Å; L222-I226 HydrophobicContact CD1-CG2 3.55Å; L222-I226 HydrophobicContact CG-CG2 4.27Å; L222-I226 PolarHBondContact O-N 3.07Å; L222-Y264 HydrophobicContact CD2-CE2 3.85Å; L222-Y264 HydrophobicContact CG-CE2 4.05Å
223G97.3Very high98.3Very high19 Ų1927.5 Ų27.520%0.19616%0.155CC..Hα-helixtrans-63.2-19179.400000114.6L219 D220 K221L219-G223 PolarHBondContact O-N 3.04Å; L219-G223 VanDerWaalsContact O-N 3.14Å; D220-G223 PolarHBondContact O-N 3.49Å; K221-G223 VanDerWaalsContact C-N 3.29Å; K221-G223 PolarHBondContact O-N 3.47Å
224D97.3Very high98.3Very high120 Ų12026.8 Ų26.864%0.64215%0.15SC*.Hα-helixtrans-94.4-8.8174.1-60.4-30.4000112.8D220 K221 L222 K267D220-D224 PolarHBondContact O-N 3.08Å; K221-D224 PolarHBondContact O-N 2.87Å; L222-D224 PolarHBondContact O-N 3.47Å; D224-K267 IonicContact OD1-NZ 2.72Å; D224-K267 PolarHBondContact OD1-NZ 2.85Å
225M98.1Very high98.4Very high73 Ų7327.3 Ų27.336%0.3615%0.152SC..Hα-helixtrans-106.4-43.3-177.2-66.6175.274.900113.1V189 K221 L222V189-M225 HydrophobicContact CB-CE 3.94Å; V189-M225 HydrophobicContact CG1-CB 4.22Å; V189-M225 HydrophobicContact CG1-CE 4.05Å; V189-M225 HydrophobicContact CG2-CB 4.33Å; V189-M225 HydrophobicContact CG2-CE 3.81Å; V189-M225 HydrophobicContact CG2-SD 4.26Å; K221-M225 HydrophobicContact CD-SD 4.36Å; K221-M225 HydrophobicContact CG-SD 3.89Å; K221-M225 VanDerWaalsContact O-CG 3.3Å; K221-M225 WeakPolarHBondContact O-CG 3.43Å; K221-M225 PolarHBondContact O-N 3.18Å; L222-M225 PolarHBondContact O-N 3.07Å
226I98.1Very high98.4Very high20 Ų2026.6 Ų26.610%0.10315%0.148CC..  trans-157.8144.8-173.2-166.4174.6000112.8V189 M192 E193 L196 L222 V228V189-I226 HydrophobicContact CG1-CB 4.18Å; V189-I226 HydrophobicContact CG1-CD1 4.5Å; V189-I226 HydrophobicContact CG1-CG2 4.1Å; V189-I226 HydrophobicContact CG2-CG2 4.09Å; M192-I226 HydrophobicContact CB-CD1 3.83Å; M192-I226 HydrophobicContact CE-CD1 4.39Å; M192-I226 HydrophobicContact CE-CG2 3.92Å; E193-I226 HydrophobicContact CG-CD1 3.87Å; L196-I226 HydrophobicContact CD1-CD1 3.98Å; L196-I226 HydrophobicContact CD1-CG1 4.37Å; L222-I226 HydrophobicContact CD1-CG2 3.55Å; L222-I226 HydrophobicContact CG-CG2 4.27Å; L222-I226 PolarHBondContact O-N 3.07Å; I226-V228 HydrophobicContact CD1-CG1 3.99Å; I226-V228 HydrophobicContact CG1-CG1 4.11Å
227D98.5Very high98.4Very high41 Ų4126.4 Ų26.422%0.21915%0.147CC..  trans-100.6100174.3174.526.9000111.1K205 S268 N269 A270K205-D227 WeakPolarHBondContact CB-O 3.25Å; K205-D227 WeakPolarHBondContact CD-OD2 3.47Å; K205-D227 WeakPolarHBondContact CE-OD2 3.38Å; K205-D227 IonicContact NZ-OD2 2.86Å; K205-D227 PolarHBondContact NZ-OD2 2.86Å; D227-S268 VanDerWaalsContact OD1-CA 3.26Å; D227-S268 WeakPolarHBondContact OD1-CA 3.34Å; D227-S268 WeakPolarHBondContact OD1-CB 3.01Å; D227-S268 PolarHBondContact OD1-OG 3.17Å; D227-N269 PolarHBondContact OD1-N 3.21Å; D227-N269 WeakPolarHBondContact OD2-CB 3.38Å; D227-N269 PolarHBondContact OD2-N 3.11Å; D227-A270 WeakPolarHBondContact OD1-CB 3.47Å; D227-A270 PolarHBondContact OD1-N 2.99Å; D227-A270 PolarHBondContact OD2-N 2.82Å
228V98.6Very high98.4Very high0 Ų024.5 Ų24.50%013%0.133CC..  trans-124.6160.9175-68.90000112.1M192 L196 V208 L210 I226 Y264 N271M192-V228 HydrophobicContact CE-CG1 4.27Å; M192-V228 HydrophobicContact CE-CG2 4.05Å; M192-V228 HydrophobicContact SD-CG1 4.05Å; M192-V228 HydrophobicContact SD-CG2 4.13Å; L196-V228 HydrophobicContact CD1-CG1 4.06Å; V208-V228 HydrophobicContact CG1-CG1 4.29Å; L210-V228 HydrophobicContact CB-CG2 4.16Å; I226-V228 HydrophobicContact CD1-CG1 3.99Å; I226-V228 HydrophobicContact CG1-CG1 4.11Å; V228-Y264 WeakPolarHBondContact CG2-OH 3.34Å; V228-Y264 PolarHBondContact N-OH 3.38Å; V228-Y264 PolarHBondContact O-OH 3.32Å; V228-N271 PolarHBondContact O-ND2 3.06Å
229A98.7Very high98.5Very high10 Ų1026 Ų268%0.08314%0.139CC..EExtended strand (participates in β ladder)trans-63.5140.8173.700000109.9K205 V208 T209 L210K205-A229 PolarHBondContact O-N 3.26Å; K205-A229 VanDerWaalsContact O-N 3.16Å; V208-A229 WeakPolarHBondContact O-CB 3.48Å; V208-A229 PolarHBondContact O-N 2.9Å; V208-A229 VanDerWaalsContact O-N 3.07Å; T209-A229 CarbonylContact C-O 3.29Å; T209-A229 VanDerWaalsContact CA-O 3.31Å; T209-A229 WeakPolarHBondContact CA-O 3.33Å; T209-A229 HydrophobicContact CG2-CB 4.38Å; L210-A229 PolarHBondContact N-O 2.65Å
230L98.9Very high98.5Very high0 Ų032.6 Ų32.60%017%0.17CC..EExtended strand (participates in β ladder)trans-116.5129.5-175.3-176.268.1000110L210 T212 L219 I232 V261 Y264 N271 V275 T276L210-L230 HydrophobicContact CD2-CD1 4.25Å; T212-L230 HydrophobicContact CG2-CD1 4.14Å; L219-L230 HydrophobicContact CD1-CD1 4.03Å; L219-L230 HydrophobicContact CD1-CD2 4.04Å; L219-L230 HydrophobicContact CD2-CD2 4.41Å; L230-I232 HydrophobicContact CD2-CG2 4.3Å; L230-I232 HydrophobicContact CG-CG2 4.23Å; L230-V261 HydrophobicContact CD2-CG1 4.33Å; L230-V261 HydrophobicContact CD2-CG2 4.34Å; L230-Y264 HydrophobicContact CB-CD1 4.12Å; L230-Y264 HydrophobicContact CB-CE1 3.82Å; L230-Y264 HydrophobicContact CD2-CD1 3.67Å; L230-Y264 HydrophobicContact CD2-CE1 4.17Å; L230-Y264 HydrophobicContact CD2-CG 4.15Å; L230-Y264 HydrophobicContact CG-CD1 4.46Å; L230-Y264 HydrophobicContact CG-CE1 4.5Å; L230-N271 PolarHBondContact N-ND2 3.27Å; L230-N271 PolarHBondContact N-OD1 3.29Å; L230-N271 PolarHBondContact O-OD1 2.93Å; L230-V275 HydrophobicContact CB-CG2 4.47Å; L230-V275 HydrophobicContact CD2-CG2 4.21Å; L230-V275 HydrophobicContact CG-CG2 4.19Å; L230-T276 PolarHBondContact O-N 2.81Å
231A98.8Very high98.5Very high0 Ų031.9 Ų31.90%017%0.166CC..EExtended strand (participates in β ladder)trans-114.3149.9162.200000109.2M176 T209 L210 S211 T212 T276 E278M176-A231 HydrophobicContact CE-CB 3.82Å; T209-A231 HydrophobicContact CG2-CB 3.79Å; L210-A231 PolarHBondContact O-N 3.35Å; S211-A231 WeakPolarHBondContact CA-O 3.25Å; T212-A231 PolarHBondContact N-O 3.17Å; A231-T276 CarbonylContact C-O 3.59Å; A231-T276 VanDerWaalsContact CA-O 3.25Å; A231-T276 WeakPolarHBondContact CA-O 3.19Å; A231-T276 HydrophobicContact CB-CG2 4.41Å; A231-E278 HydrophobicContact CB-CG 4.2Å
232I98.8Very high98.5Very high0 Ų026.7 Ų26.70%014%0.143CC..EExtended strand (participates in β ladder)trans-124.6130.9175.265.1173.8000111.3T212 L230 L234 F257 L258 V261 V275 T276 I277 E278T212-I232 HydrophobicContact CG2-CG2 4.33Å; L230-I232 HydrophobicContact CD2-CG2 4.3Å; L230-I232 HydrophobicContact CG-CG2 4.23Å; I232-L234 VanDerWaalsContact C-N 3.29Å; I232-L234 PolarHBondContact O-N 2.87Å; I232-F257 HydrophobicContact CB-CE1 3.85Å; I232-F257 HydrophobicContact CB-CE2 4.36Å; I232-F257 HydrophobicContact CB-CZ 3.48Å; I232-F257 VanDerWaalsContact CB-CZ 3.48Å; I232-F257 HydrophobicContact CD1-CE1 4.3Å; I232-F257 HydrophobicContact CD1-CZ 4.4Å; I232-F257 HydrophobicContact CG2-CE1 4.22Å; I232-F257 HydrophobicContact CG2-CE2 3.81Å; I232-F257 HydrophobicContact CG2-CZ 3.39Å; I232-L258 HydrophobicContact CD1-CD2 3.8Å; I232-V261 HydrophobicContact CD1-CG2 4.05Å; I232-V261 HydrophobicContact CG2-CG2 3.7Å; I232-V275 HydrophobicContact CG1-CG2 4.26Å; I232-V275 HydrophobicContact CG2-CG2 4.02Å; I232-T276 PolarHBondContact N-O 2.88Å; I232-I277 HydrophobicContact CD1-CD1 3.48Å; I232-I277 VanDerWaalsContact CD1-CD1 3.48Å; I232-I277 HydrophobicContact CG1-CD1 3.62Å; I232-E278 WeakPolarHBondContact O-CB 3.3Å; I232-E278 PolarHBondContact O-N 3.26Å
233S98.5Very high98.5Very high15 Ų1528.8 Ų28.811%0.10516%0.155CC..EExtended strand (participates in β ladder)trans-79.275.3174.9-63.20000109.9S211 T212 H235 R242S211-S233 PolarHBondContact OG-OG 3.08Å; T212-S233 PolarHBondContact O-N 3.04Å; S233-H235 WeakPolarHBondContact CA-NE2 3.35Å; S233-H235 WeakPolarHBondContact CB-NE2 3.49Å; S233-R242 PolarHBondContact O-NH2 3.28Å
234L98.7Very high98.5Very high0 Ų032.6 Ų32.60%017%0.167CC..  trans-77.5-57.4-176.1-178.963000111.4I232 A236 R242 I254 I277 E278 L295 L298 L299I232-L234 VanDerWaalsContact C-N 3.29Å; I232-L234 PolarHBondContact O-N 2.87Å; L234-A236 PolarHBondContact O-N 3.31Å; L234-R242 VanDerWaalsContact O-CD 3.27Å; L234-R242 WeakPolarHBondContact O-CD 3.46Å; L234-R242 PolarHBondContact O-NE 3.1Å; L234-I254 HydrophobicContact CD1-CD1 4.32Å; L234-I254 HydrophobicContact CD1-CG1 4.05Å; L234-I254 HydrophobicContact CD1-CG2 4.09Å; L234-I277 HydrophobicContact CB-CG2 3.85Å; L234-I277 HydrophobicContact CD2-CG2 3.8Å; L234-I277 HydrophobicContact CG-CG2 4.47Å; L234-E278 PolarHBondContact N-O 3.47Å; L234-E278 VanDerWaalsContact N-O 3.11Å; L234-L295 HydrophobicContact CD2-CD1 3.69Å; L234-L298 HydrophobicContact CD2-CD2 4.26Å; L234-L299 HydrophobicContact CD2-CD2 4.13Å
235H98.7Very high98.6Very high10 Ų1027 Ų275%0.04614%0.137CC..  trans60.7-3.8170.3-51.4-39.9000118.9F131 S233 I245 V246 E278 Y279 V280 N286F131-H235 HydrophobicContact CE1-CB 4.46Å; F131-H235 AromaticContact CE1-CD2 3.98Å; F131-H235 AromaticContact CE2-CD2 3.92Å; F131-H235 AromaticContact CE2-NE2 3.92Å; F131-H235 HydrophobicContact CZ-CB 4.47Å; F131-H235 AromaticContact CZ-CD2 3.23Å; F131-H235 WeakPolarHBondContact CZ-CD2 3.16Å; F131-H235 AromaticContact CZ-CG 3.96Å; F131-H235 AromaticContact CZ-NE2 3.68Å; S233-H235 WeakPolarHBondContact CA-NE2 3.35Å; S233-H235 WeakPolarHBondContact CB-NE2 3.49Å; H235-I245 HydrophobicContact CB-CD1 3.79Å; H235-I245 WeakPolarHBondContact O-CD1 3.49Å; H235-V246 HydrophobicContact CB-CG2 4.33Å; H235-E278 PolarHBondContact CE1-O 2.78Å; H235-E278 PolarHBondContact N-O 3.03Å; H235-E278 PolarHBondContact ND1-O 3.42Å; H235-Y279 VanDerWaalsContact C-CE2 3.48Å; H235-Y279 WeakPolarHBondContact ND1-CA 3.31Å; H235-V280 HydrophobicContact CB-CG1 3.76Å; H235-V280 PolarHBondContact ND1-N 3.37Å; H235-N286 PolarHBondContact O-ND2 2.97Å
236A98.8Very high98.6Very high0 Ų023.5 Ų23.50%012%0.12CC..  trans-148.2152.8176.200000110.4L234 I241 R242 I245L234-A236 PolarHBondContact O-N 3.31Å; A236-I241 HydrophobicContact CB-CB 3.98Å; A236-I241 HydrophobicContact CB-CG2 3.74Å; A236-R242 HydrophobicContact CB-CB 3.62Å; A236-R242 HydrophobicContact CB-CG 4.02Å; A236-I245 HydrophobicContact CB-CD1 4.07Å
237P98.7Very high98.6Very high6 Ų624 Ų244%0.03913%0.125CC..SBendtrans-90.3-7.2-177.738.8-36.2000113.1I241 Y279 H291 Q294 L295P237-I241 HydrophobicContact CG-CD1 4.29Å; P237-Y279 WeakPolarHBondContact CD-OH 3.36Å; P237-H291 WeakPolarHBondContact CB-O 3.47Å; P237-H291 HydrophobicContact CG-CB 3.89Å; P237-Q294 HydrophobicContact CB-CB 3.75Å; P237-Q294 HydrophobicContact CG-CB 4.34Å; P237-L295 HydrophobicContact CB-CB 4.01Å
238N98.8Very high98.5Very high31 Ų3123.5 Ų23.517%0.16612%0.122CC..SBendtrans-151.9162.8-177.659.552.9000110.6E240 I241 R242 I254 Q294N238-E240 VanDerWaalsContact C-N 3.34Å; N238-E240 WeakPolarHBondContact CB-OE2 3.44Å; N238-E240 PolarHBondContact O-N 2.58Å; N238-E240 PolarHBondContact OD1-N 3.49Å; N238-E240 PolarHBondContact OD1-OE2 2.77Å; N238-I241 WeakPolarHBondContact OD1-CB 3.38Å; N238-I241 VanDerWaalsContact OD1-CG1 3.29Å; N238-I241 WeakPolarHBondContact OD1-CG1 3.42Å; N238-I241 PolarHBondContact OD1-N 2.87Å; N238-R242 WeakPolarHBondContact O-CB 3.27Å; N238-R242 PolarHBondContact O-N 3.08Å; N238-I254 WeakPolarHBondContact O-CD1 3.23Å; N238-Q294 PolarHBondContact ND2-OE1 2.8Å
239D98.8Very high98.5Very high44 Ų4423.6 Ų23.624%0.23512%0.122CC..Hα-helixtrans-67.7-33.6-174.8-81.9-37.4000112.1R242 D243 N249 N253 I254D239-R242 PolarHBondContact O-N 3.02Å; D239-D243 VanDerWaalsContact O-CB 3.23Å; D239-D243 WeakPolarHBondContact O-CB 3.41Å; D239-D243 VanDerWaalsContact O-CG 3.29Å; D239-D243 PolarHBondContact O-N 2.88Å; D239-N249 PolarHBondContact O-ND2 2.97Å; D239-N249 PolarHBondContact OD1-ND2 3.13Å; D239-N253 WeakPolarHBondContact OD1-CB 3.3Å; D239-N253 PolarHBondContact OD2-ND2 2.61Å; D239-I254 VanDerWaalsContact OD1-CG1 3.3Å; D239-I254 WeakPolarHBondContact OD1-CG1 3.47Å; D239-I254 PolarHBondContact OD1-N 3.17Å
240E98.5Very high98.5Very high139 Ų13929.2 Ų29.265%0.6515%0.145SC*.Hα-helixtrans-64.1-47.4-176.6-62.274.8-163.200111.8N238 R242N238-E240 VanDerWaalsContact C-N 3.34Å; N238-E240 WeakPolarHBondContact CB-OE2 3.44Å; N238-E240 PolarHBondContact O-N 2.58Å; N238-E240 PolarHBondContact OD1-N 3.49Å; N238-E240 PolarHBondContact OD1-OE2 2.77Å; E240-R242 VanDerWaalsContact C-N 3.35Å
241I98.6Very high98.5Very high33 Ų3336.1 Ų36.117%0.16918%0.175CC..Hα-helixtrans-67.2-42.4174.9-64.3172.1000109.3A236 P237 N238 D243 E244 I245 N286 H291A236-I241 HydrophobicContact CB-CB 3.98Å; A236-I241 HydrophobicContact CB-CG2 3.74Å; P237-I241 HydrophobicContact CG-CD1 4.29Å; N238-I241 WeakPolarHBondContact OD1-CB 3.38Å; N238-I241 VanDerWaalsContact OD1-CG1 3.29Å; N238-I241 WeakPolarHBondContact OD1-CG1 3.42Å; N238-I241 PolarHBondContact OD1-N 2.87Å; I241-D243 PolarHBondContact O-N 3.35Å; I241-E244 WeakPolarHBondContact O-CB 3.42Å; I241-E244 PolarHBondContact O-N 3.48Å; I241-E244 VanDerWaalsContact O-N 3.11Å; I241-I245 HydrophobicContact CG2-CD1 4.36Å; I241-I245 HydrophobicContact CG2-CG1 4.47Å; I241-I245 WeakPolarHBondContact O-CG1 3.36Å; I241-I245 PolarHBondContact O-N 2.81Å; I241-I245 VanDerWaalsContact O-N 3.09Å; I241-N286 HydrophobicContact CG2-CB 4.3Å; I241-H291 WeakPolarHBondContact CD1-NE2 3.45Å
242R98.7Very high98.5Very high0 Ų038.1 Ų38.10%018%0.183CC..Hα-helixtrans-66-38.5-174.9-157.8167.8-179.1-72-4.8112.8S213 S233 L234 A236 N238 D239 E240 E244 I245 V246 N249 I254S213-R242 PolarHBondContact O-NH2 3.04Å; S233-R242 PolarHBondContact O-NH2 3.28Å; L234-R242 VanDerWaalsContact O-CD 3.27Å; L234-R242 WeakPolarHBondContact O-CD 3.46Å; L234-R242 PolarHBondContact O-NE 3.1Å; A236-R242 HydrophobicContact CB-CB 3.62Å; A236-R242 HydrophobicContact CB-CG 4.02Å; N238-R242 WeakPolarHBondContact O-CB 3.27Å; N238-R242 PolarHBondContact O-N 3.08Å; D239-R242 PolarHBondContact O-N 3.02Å; E240-R242 VanDerWaalsContact C-N 3.35Å; R242-E244 PolarHBondContact O-N 3.06Å; R242-I245 PolarHBondContact O-N 2.96Å; R242-V246 HydrophobicContact CG-CB 4.15Å; R242-V246 VanDerWaalsContact NH2-CG1 3.35Å; R242-V246 CarbonylContact O-C 3.56Å; R242-V246 VanDerWaalsContact O-C 3.29Å; R242-V246 WeakPolarHBondContact O-CA 3.49Å; R242-V246 PolarHBondContact O-N 2.69Å; R242-V246 VanDerWaalsContact O-O 3.1Å; R242-N249 HydrophobicContact CB-CB 4.15Å; R242-N249 VanDerWaalsContact CD-OD1 3.23Å; R242-N249 WeakPolarHBondContact CD-OD1 3.27Å; R242-N249 HydrophobicContact CG-CB 3.92Å; R242-N249 VanDerWaalsContact NH1-CB 3.28Å; R242-N249 PolarHBondContact NH1-OD1 2.63Å; R242-I254 HydrophobicContact CB-CD1 4.25Å
243D98.6Very high98.5Very high44 Ų4440.8 Ų40.824%0.23520%0.197CC..Hα-helixtrans-55.2-33.4173.5-89.28000112.3D239 I241 N249 K250D239-D243 VanDerWaalsContact O-CB 3.23Å; D239-D243 WeakPolarHBondContact O-CB 3.41Å; D239-D243 VanDerWaalsContact O-CG 3.29Å; D239-D243 PolarHBondContact O-N 2.88Å; I241-D243 PolarHBondContact O-N 3.35Å; D243-N249 VanDerWaalsContact OD1-CB 3.27Å; D243-N249 WeakPolarHBondContact OD1-CB 3.46Å; D243-N249 PolarHBondContact OD1-ND2 2.69Å; D243-K250 HydrophobicContact CB-CD 4.49Å; D243-K250 HydrophobicContact CB-CG 3.98Å; D243-K250 VanDerWaalsContact CG-CG 3.41Å; D243-K250 VanDerWaalsContact O-CE 3.26Å; D243-K250 WeakPolarHBondContact O-CE 3.26Å; D243-K250 WeakPolarHBondContact OD1-CG 3.32Å; D243-K250 PolarHBondContact OD1-N 3.33Å; D243-K250 WeakPolarHBondContact OD2-CG 3.39Å
244E97.9Very high98.5Very high98 Ų9840.2 Ų40.246%0.45819%0.193SC..Hα-helixtrans-78.6-52175.9-73.5-53.3124.900112.1K130 I241 R242 K250K130-E244 WeakPolarHBondContact CD-O 3.33Å; K130-E244 WeakPolarHBondContact CE-O 3.47Å; K130-E244 WeakPolarHBondContact CG-O 3.12Å; K130-E244 PolarHBondContact NZ-O 3.08Å; K130-E244 IonicContact NZ-OE2 3.53Å; K130-E244 PolarHBondContact NZ-OE2 3.05Å; I241-E244 WeakPolarHBondContact O-CB 3.42Å; I241-E244 PolarHBondContact O-N 3.48Å; I241-E244 VanDerWaalsContact O-N 3.11Å; R242-E244 PolarHBondContact O-N 3.06Å; E244-K250 IonicContact OE1-NZ 3.52Å
245I98.1Very high98.5Very high3 Ų344.7 Ų44.72%0.01521%0.213CC..Hα-helixtrans-84.6-27.3-170.960.3163.8000114.1C129 K130 F131 H235 A236 I241 R242 L282 V285C129-I245 WeakPolarHBondContact CA-O 3.12Å; K130-I245 PolarHBondContact N-O 2.81Å; F131-I245 HydrophobicContact CD1-CB 4.04Å; F131-I245 HydrophobicContact CE1-CB 4.1Å; F131-I245 HydrophobicContact CE1-CD1 4.34Å; F131-I245 HydrophobicContact CE1-CG1 4.44Å; F131-I245 WeakPolarHBondContact CE1-O 3.42Å; H235-I245 HydrophobicContact CB-CD1 3.79Å; H235-I245 WeakPolarHBondContact O-CD1 3.49Å; A236-I245 HydrophobicContact CB-CD1 4.07Å; I241-I245 HydrophobicContact CG2-CD1 4.36Å; I241-I245 HydrophobicContact CG2-CG1 4.47Å; I241-I245 WeakPolarHBondContact O-CG1 3.36Å; I241-I245 PolarHBondContact O-N 2.81Å; I241-I245 VanDerWaalsContact O-N 3.09Å; R242-I245 PolarHBondContact O-N 2.96Å; I245-L282 HydrophobicContact CD1-CD1 4.43Å; I245-L282 HydrophobicContact CG2-CD1 4.1Å; I245-V285 HydrophobicContact CG2-CG1 4.26Å
246V98.3Very high98.5Very high0 Ų047.3 Ų47.30%023%0.23CC..SBendtrans-132.781.3-179.1-175.60000109.7F131 H235 R242 I248 N249F131-V246 HydrophobicContact CE1-CG2 3.58Å; F131-V246 HydrophobicContact CZ-CG2 3.83Å; H235-V246 HydrophobicContact CB-CG2 4.33Å; R242-V246 HydrophobicContact CG-CB 4.15Å; R242-V246 VanDerWaalsContact NH2-CG1 3.35Å; R242-V246 CarbonylContact O-C 3.56Å; R242-V246 VanDerWaalsContact O-C 3.29Å; R242-V246 WeakPolarHBondContact O-CA 3.49Å; R242-V246 PolarHBondContact O-N 2.69Å; R242-V246 VanDerWaalsContact O-O 3.1Å; V246-I248 HydrophobicContact CG1-CG2 3.87Å; V246-I248 PolarHBondContact O-N 3.12Å; V246-N249 VanDerWaalsContact O-CB 3.32Å; V246-N249 WeakPolarHBondContact O-CB 3.42Å; V246-N249 PolarHBondContact O-N 2.88Å
247P97.8Very high98.5Very high30 Ų3047.3 Ų47.320%0.19523%0.23CC..G310 helixtrans-59.5-20.1-165.2-30.438.7000117E128 N249 K250E128-P247 HydrophobicContact CB-CG 4.33Å; P247-N249 PolarHBondContact O-N 2.94Å; P247-N249 VanDerWaalsContact O-N 3.11Å; P247-K250 WeakPolarHBondContact O-CB 3.23Å; P247-K250 PolarHBondContact O-N 2.89Å; P247-K250 VanDerWaalsContact O-N 3.17Å
248I98.1Very high98.5Very high31 Ų3147 Ų4716%0.15923%0.228CC..G310 helixtrans-60.9-18174.3-164.264.2000112.4L127 S213 V246 K250 K251 Y252L127-I248 HydrophobicContact CD2-CB 4.38Å; L127-I248 HydrophobicContact CD2-CD1 4.32Å; L127-I248 HydrophobicContact CD2-CG1 4.37Å; S213-I248 WeakPolarHBondContact O-CG2 3.46Å; V246-I248 HydrophobicContact CG1-CG2 3.87Å; V246-I248 PolarHBondContact O-N 3.12Å; I248-K250 PolarHBondContact O-N 2.93Å; I248-K251 HydrophobicContact CD1-CB 4.32Å; I248-K251 HydrophobicContact CD1-CD 4.39Å; I248-K251 WeakPolarHBondContact O-CB 3.39Å; I248-K251 PolarHBondContact O-N 3.18Å; I248-Y252 HydrophobicContact CD1-CD2 4.41Å; I248-Y252 HydrophobicContact CG1-CD2 4.18Å; I248-Y252 PolarHBondContact O-N 3.38Å
249N98.7Very high98.5Very high1 Ų147 Ų471%0.00523%0.232CC..G310 helixtrans-55-37173.4-159.370.5000113.4D239 R242 D243 V246 P247 K251 Y252 N253 I254D239-N249 PolarHBondContact O-ND2 2.97Å; D239-N249 PolarHBondContact OD1-ND2 3.13Å; R242-N249 HydrophobicContact CB-CB 4.15Å; R242-N249 VanDerWaalsContact CD-OD1 3.23Å; R242-N249 WeakPolarHBondContact CD-OD1 3.27Å; R242-N249 HydrophobicContact CG-CB 3.92Å; R242-N249 VanDerWaalsContact NH1-CB 3.28Å; R242-N249 PolarHBondContact NH1-OD1 2.63Å; D243-N249 VanDerWaalsContact OD1-CB 3.27Å; D243-N249 WeakPolarHBondContact OD1-CB 3.46Å; D243-N249 PolarHBondContact OD1-ND2 2.69Å; V246-N249 VanDerWaalsContact O-CB 3.32Å; V246-N249 WeakPolarHBondContact O-CB 3.42Å; V246-N249 PolarHBondContact O-N 2.88Å; P247-N249 PolarHBondContact O-N 2.94Å; P247-N249 VanDerWaalsContact O-N 3.11Å; N249-K251 PolarHBondContact O-N 3.47Å; N249-Y252 WeakPolarHBondContact CA-O 3.15Å; N249-Y252 CarbonylContact O-C 3.54Å; N249-Y252 PolarHBondContact O-N 3.33Å; N249-Y252 VanDerWaalsContact O-N 3.17Å; N249-N253 WeakPolarHBondContact O-CA 3.45Å; N249-N253 PolarHBondContact O-N 3.28Å; N249-I254 PolarHBondContact OD1-N 3.38Å
250K98.1Very high98.5Very high129 Ų12944.9 Ų44.956%0.56122%0.221SC*.G310 helixtrans-58.6-23.5176.8-66.5177.4178.4175.40112.9D243 E244 P247 I248D243-K250 HydrophobicContact CB-CD 4.49Å; D243-K250 HydrophobicContact CB-CG 3.98Å; D243-K250 VanDerWaalsContact CG-CG 3.41Å; D243-K250 VanDerWaalsContact O-CE 3.26Å; D243-K250 WeakPolarHBondContact O-CE 3.26Å; D243-K250 WeakPolarHBondContact OD1-CG 3.32Å; D243-K250 PolarHBondContact OD1-N 3.33Å; D243-K250 WeakPolarHBondContact OD2-CG 3.39Å; E244-K250 IonicContact OE1-NZ 3.52Å; P247-K250 WeakPolarHBondContact O-CB 3.23Å; P247-K250 PolarHBondContact O-N 2.89Å; P247-K250 VanDerWaalsContact O-N 3.17Å; I248-K250 PolarHBondContact O-N 2.93Å
251K98.3Very high98.5Very high144 Ų14438.2 Ų38.263%0.62619%0.19SC*.THydrogen-bonded Turntrans-98.4-40.4176.4-171.4174.7-177.1176.10112.3I248 N249I248-K251 HydrophobicContact CD1-CB 4.32Å; I248-K251 HydrophobicContact CD1-CD 4.39Å; I248-K251 WeakPolarHBondContact O-CB 3.39Å; I248-K251 PolarHBondContact O-N 3.18Å; N249-K251 PolarHBondContact O-N 3.47Å
252Y98.5Very high98.5Very high43 Ų4340.1 Ų40.117%0.16920%0.195CC..SBendtrans-132.893.2178.8-52.9-61.9000108.8G214 V215 V216 P217 I248 N249G214-Y252 VanDerWaalsContact O-CD2 3.29Å; G214-Y252 WeakPolarHBondContact O-CD2 3.07Å; V215-Y252 HydrophobicContact CG1-CE2 4.44Å; V216-Y252 HydrophobicContact CB-CD1 3.99Å; V216-Y252 HydrophobicContact CB-CE1 4.42Å; V216-Y252 HydrophobicContact CB-CG 4.07Å; V216-Y252 HydrophobicContact CG2-CD1 4.32Å; V216-Y252 HydrophobicContact CG2-CG 4.05Å; P217-Y252 VanDerWaalsContact CD-CZ 3.43Å; P217-Y252 WeakPolarHBondContact CD-OH 3.31Å; P217-Y252 HydrophobicContact CG-CE1 4.08Å; P217-Y252 WeakPolarHBondContact CG-OH 3.33Å; I248-Y252 HydrophobicContact CD1-CD2 4.41Å; I248-Y252 HydrophobicContact CG1-CD2 4.18Å; I248-Y252 PolarHBondContact O-N 3.38Å; N249-Y252 WeakPolarHBondContact CA-O 3.15Å; N249-Y252 CarbonylContact O-C 3.54Å; N249-Y252 PolarHBondContact O-N 3.33Å; N249-Y252 VanDerWaalsContact O-N 3.17Å
253N98.6Very high98.5Very high56 Ų5644.6 Ų44.630%0.29921%0.212SC..  trans-67.2172.2-176.383-24.9000112.1D239 N249 E255 T256 F257D239-N253 WeakPolarHBondContact OD1-CB 3.3Å; D239-N253 PolarHBondContact OD2-ND2 2.61Å; N249-N253 WeakPolarHBondContact O-CA 3.45Å; N249-N253 PolarHBondContact O-N 3.28Å; N253-E255 PolarHBondContact O-N 3.31Å; N253-T256 PolarHBondContact O-N 2.8Å; N253-T256 VanDerWaalsContact OD1-CB 3.23Å; N253-T256 WeakPolarHBondContact OD1-CB 3.43Å; N253-T256 PolarHBondContact OD1-N 3.13Å; N253-T256 PolarHBondContact OD1-OG1 3.45Å; N253-F257 WeakPolarHBondContact O-CB 3.27Å; N253-F257 PolarHBondContact O-N 2.86Å
254I98.8Very high98.5Very high3 Ų342.8 Ų42.82%0.01520%0.202CC..Hα-helixtrans-56-49.8-173.1-69.4172.8000111.8L234 N238 D239 R242 N249 T256 F257 L258 L298L234-I254 HydrophobicContact CD1-CD1 4.32Å; L234-I254 HydrophobicContact CD1-CG1 4.05Å; L234-I254 HydrophobicContact CD1-CG2 4.09Å; N238-I254 WeakPolarHBondContact O-CD1 3.23Å; D239-I254 VanDerWaalsContact OD1-CG1 3.3Å; D239-I254 WeakPolarHBondContact OD1-CG1 3.47Å; D239-I254 PolarHBondContact OD1-N 3.17Å; R242-I254 HydrophobicContact CB-CD1 4.25Å; N249-I254 PolarHBondContact OD1-N 3.38Å; I254-T256 PolarHBondContact O-N 3.3Å; I254-F257 CarbonylContact O-C 3.59Å; I254-F257 WeakPolarHBondContact O-CB 3.35Å; I254-F257 PolarHBondContact O-N 3.17Å; I254-F257 VanDerWaalsContact O-N 3.1Å; I254-L258 HydrophobicContact CG2-CD1 3.78Å; I254-L258 HydrophobicContact CG2-CG 4.03Å; I254-L258 WeakPolarHBondContact O-CG 3.2Å; I254-L258 PolarHBondContact O-N 3.11Å; I254-L298 HydrophobicContact CD1-CD2 4.27Å; I254-L298 HydrophobicContact CG2-CD1 3.6Å; I254-L298 HydrophobicContact CG2-CD2 3.69Å; I254-L298 HydrophobicContact CG2-CG 4.12Å
255E98.6Very high98.5Very high94 Ų9439.1 Ų39.144%0.43919%0.185SC..Hα-helixtrans-62.9-41.2-178.5-79-55135.400112.7N253 F257 L258 A259 R262N253-E255 PolarHBondContact O-N 3.31Å; E255-F257 VanDerWaalsContact C-N 3.25Å; E255-F257 PolarHBondContact O-N 3.28Å; E255-L258 PolarHBondContact O-N 2.67Å; E255-A259 VanDerWaalsContact O-CB 3.29Å; E255-A259 WeakPolarHBondContact O-CB 3.26Å; E255-A259 PolarHBondContact O-N 3.1Å; E255-R262 IonicContact OE2-NH2 2.78Å
256T98.6Very high98.5Very high64 Ų6446.6 Ų46.639%0.39322%0.22SC..Hα-helixtrans-61-39.7175-56.90000110.7V216 N253 I254 A260V216-T256 HydrophobicContact CG1-CG2 4.22Å; V216-T256 HydrophobicContact CG2-CG2 4.2Å; N253-T256 PolarHBondContact O-N 2.8Å; N253-T256 VanDerWaalsContact OD1-CB 3.23Å; N253-T256 WeakPolarHBondContact OD1-CB 3.43Å; N253-T256 PolarHBondContact OD1-N 3.13Å; N253-T256 PolarHBondContact OD1-OG1 3.45Å; I254-T256 PolarHBondContact O-N 3.3Å; T256-A260 PolarHBondContact O-N 3.2Å
257F98.8Very high98.4Very high0 Ų052.2 Ų52.20%024%0.244CC..Hα-helixtrans-69.6-48.4178.1-174.8-160.2000112.4T212 G214 V216 L219 I232 N253 I254 E255 A259 A260 V261T212-F257 HydrophobicContact CG2-CE2 4.17Å; T212-F257 HydrophobicContact CG2-CZ 4Å; G214-F257 VanDerWaalsContact CA-CE2 3.4Å; V216-F257 HydrophobicContact CG2-CB 4.24Å; V216-F257 HydrophobicContact CG2-CD2 4.3Å; L219-F257 HydrophobicContact CD2-CD2 4.44Å; L219-F257 HydrophobicContact CD2-CE2 4.09Å; I232-F257 HydrophobicContact CB-CE1 3.85Å; I232-F257 HydrophobicContact CB-CE2 4.36Å; I232-F257 HydrophobicContact CB-CZ 3.48Å; I232-F257 VanDerWaalsContact CB-CZ 3.48Å; I232-F257 HydrophobicContact CD1-CE1 4.3Å; I232-F257 HydrophobicContact CD1-CZ 4.4Å; I232-F257 HydrophobicContact CG2-CE1 4.22Å; I232-F257 HydrophobicContact CG2-CE2 3.81Å; I232-F257 HydrophobicContact CG2-CZ 3.39Å; N253-F257 WeakPolarHBondContact O-CB 3.27Å; N253-F257 PolarHBondContact O-N 2.86Å; I254-F257 CarbonylContact O-C 3.59Å; I254-F257 WeakPolarHBondContact O-CB 3.35Å; I254-F257 PolarHBondContact O-N 3.17Å; I254-F257 VanDerWaalsContact O-N 3.1Å; E255-F257 VanDerWaalsContact C-N 3.25Å; E255-F257 PolarHBondContact O-N 3.28Å; F257-A259 VanDerWaalsContact C-N 3.3Å; F257-A259 PolarHBondContact O-N 3.21Å; F257-A260 WeakPolarHBondContact O-CB 3.38Å; F257-A260 PolarHBondContact O-N 3.32Å; F257-A260 VanDerWaalsContact O-N 3.07Å; F257-V261 HydrophobicContact CD2-CG2 3.99Å; F257-V261 HydrophobicContact CE2-CG2 3.83Å; F257-V261 WeakPolarHBondContact O-CG2 3.33Å; F257-V261 PolarHBondContact O-N 2.95Å
258L98.8Very high98.4Very high0 Ų051.1 Ų51.10%024%0.238CC..Hα-helixtrans-63.3-35.8178.5-65.1-177.5000111.9I232 I254 E255 A260 V261 R262 L298 L299 T302I232-L258 HydrophobicContact CD1-CD2 3.8Å; I254-L258 HydrophobicContact CG2-CD1 3.78Å; I254-L258 HydrophobicContact CG2-CG 4.03Å; I254-L258 WeakPolarHBondContact O-CG 3.2Å; I254-L258 PolarHBondContact O-N 3.11Å; E255-L258 PolarHBondContact O-N 2.67Å; L258-A260 VanDerWaalsContact C-N 3.32Å; L258-A260 PolarHBondContact O-N 3.41Å; L258-V261 WeakPolarHBondContact O-CB 3.48Å; L258-V261 PolarHBondContact O-N 3.22Å; L258-R262 WeakPolarHBondContact O-CG 3.41Å; L258-R262 PolarHBondContact O-N 2.9Å; L258-L298 HydrophobicContact CD1-CD1 4Å; L258-L298 HydrophobicContact CD1-CG 4.1Å; L258-L299 HydrophobicContact CD1-CD2 4.24Å; L258-L299 HydrophobicContact CD2-CD2 4.27Å; L258-T302 HydrophobicContact CD2-CG2 4.39Å
259A98.7Very high98.4Very high30 Ų3055.2 Ų55.225%0.24826%0.26CS..Hα-helixtrans-60.8-40.9172.400000112.3E255 F257 R262 R263E255-A259 VanDerWaalsContact O-CB 3.29Å; E255-A259 WeakPolarHBondContact O-CB 3.26Å; E255-A259 PolarHBondContact O-N 3.1Å; F257-A259 VanDerWaalsContact C-N 3.3Å; F257-A259 PolarHBondContact O-N 3.21Å; A259-R262 PolarHBondContact O-N 3.38Å; A259-R263 PolarHBondContact O-N 3.16Å; A259-R263 VanDerWaalsContact O-N 3.17Å; A259-R263 PolarHBondContact O-NH1 2.98Å
260A98.7Very high98.3Very high0 Ų055.3 Ų55.30%026%0.261CS..Hα-helixtrans-68.2-37.9175.900000112.5V216 L219 T256 F257 L258 R262 R263 Y264V216-A260 HydrophobicContact CB-CB 4.4Å; V216-A260 HydrophobicContact CG1-CB 3.78Å; V216-A260 HydrophobicContact CG2-CB 4.13Å; L219-A260 HydrophobicContact CD2-CB 3.98Å; T256-A260 PolarHBondContact O-N 3.2Å; F257-A260 WeakPolarHBondContact O-CB 3.38Å; F257-A260 PolarHBondContact O-N 3.32Å; F257-A260 VanDerWaalsContact O-N 3.07Å; L258-A260 VanDerWaalsContact C-N 3.32Å; L258-A260 PolarHBondContact O-N 3.41Å; A260-R262 VanDerWaalsContact C-N 3.35Å; A260-R262 PolarHBondContact O-N 2.79Å; A260-R263 PolarHBondContact O-N 2.82Å; A260-Y264 PolarHBondContact O-N 2.91Å
261V98.7Very high98.3Very high0 Ų049.9 Ų49.90%024%0.238CC..Hα-helixtrans-60.1-45.5173.5171.40000110.8L219 L230 I232 F257 L258 R263 Y264 L265 V275L219-V261 HydrophobicContact CD2-CG2 4.04Å; L230-V261 HydrophobicContact CD2-CG1 4.33Å; L230-V261 HydrophobicContact CD2-CG2 4.34Å; I232-V261 HydrophobicContact CD1-CG2 4.05Å; I232-V261 HydrophobicContact CG2-CG2 3.7Å; F257-V261 HydrophobicContact CD2-CG2 3.99Å; F257-V261 HydrophobicContact CE2-CG2 3.83Å; F257-V261 WeakPolarHBondContact O-CG2 3.33Å; F257-V261 PolarHBondContact O-N 2.95Å; L258-V261 WeakPolarHBondContact O-CB 3.48Å; L258-V261 PolarHBondContact O-N 3.22Å; V261-R263 PolarHBondContact O-N 2.93Å; V261-Y264 WeakPolarHBondContact O-CB 3.45Å; V261-Y264 PolarHBondContact O-N 2.96Å; V261-Y264 VanDerWaalsContact O-N 3.17Å; V261-L265 HydrophobicContact CG1-CD1 4.18Å; V261-L265 HydrophobicContact CG1-CG 4.31Å; V261-L265 WeakPolarHBondContact O-CG 3.36Å; V261-L265 PolarHBondContact O-N 3.02Å; V261-V275 HydrophobicContact CG1-CB 3.76Å; V261-V275 HydrophobicContact CG1-CG1 3.82Å; V261-V275 HydrophobicContact CG1-CG2 3.77Å
262R98.6Very high98.3Very high72 Ų7249.2 Ų49.227%0.27224%0.237SC..Hα-helixtrans-59.3-45.6176.6-71.2-175.9-66.6-96.26.7111.8E255 L258 A259 A260 Y264 L265 E266 T302E255-R262 IonicContact OE2-NH2 2.78Å; L258-R262 WeakPolarHBondContact O-CG 3.41Å; L258-R262 PolarHBondContact O-N 2.9Å; A259-R262 PolarHBondContact O-N 3.38Å; A260-R262 VanDerWaalsContact C-N 3.35Å; A260-R262 PolarHBondContact O-N 2.79Å; R262-Y264 VanDerWaalsContact C-N 3.31Å; R262-Y264 PolarHBondContact O-N 2.95Å; R262-L265 PolarHBondContact O-N 2.88Å; R262-L265 VanDerWaalsContact O-N 3.16Å; R262-E266 WeakPolarHBondContact O-CG 3.37Å; R262-E266 PolarHBondContact O-N 2.86Å; R262-T302 PolarHBondContact NH1-OG1 3.46Å; R262-T302 VanDerWaalsContact NH1-OG1 3.08Å
263R98.5Very high98.2Very high95 Ų9549 Ų4936%0.35825%0.248SC..Hα-helixtrans-58.9-39174-69.6-169-59.3-87.68.5113.1D220 A259 A260 V261D220-R263 VanDerWaalsContact CG-NH2 3.31Å; D220-R263 IonicContact OD1-CZ 3.12Å; D220-R263 IonicContact OD1-NE 3.49Å; D220-R263 PolarHBondContact OD1-NE 3.46Å; D220-R263 IonicContact OD1-NH2 3.79Å; D220-R263 PolarHBondContact OD1-NH2 2.67Å; D220-R263 IonicContact OD2-CZ 2.69Å; D220-R263 IonicContact OD2-NE 3.76Å; D220-R263 IonicContact OD2-NH2 2.95Å; D220-R263 PolarHBondContact OD2-NH2 3.5Å; A259-R263 PolarHBondContact O-N 3.16Å; A259-R263 VanDerWaalsContact O-N 3.17Å; A259-R263 PolarHBondContact O-NH1 2.98Å; A260-R263 PolarHBondContact O-N 2.82Å; V261-R263 PolarHBondContact O-N 2.93Å
264Y98.7Very high98.2Very high5 Ų551.6 Ų51.62%0.0225%0.254CS..Hα-helixtrans-66.3-45175-176.6-91.1000111.3L219 L222 V228 L230 A260 V261 R262 E266 K267 S268 N271L219-Y264 HydrophobicContact CD1-CD2 3.95Å; L219-Y264 HydrophobicContact CD1-CG 4.14Å; L222-Y264 HydrophobicContact CD2-CE2 3.85Å; L222-Y264 HydrophobicContact CG-CE2 4.05Å; V228-Y264 WeakPolarHBondContact CG2-OH 3.34Å; V228-Y264 PolarHBondContact N-OH 3.38Å; V228-Y264 PolarHBondContact O-OH 3.32Å; L230-Y264 HydrophobicContact CB-CD1 4.12Å; L230-Y264 HydrophobicContact CB-CE1 3.82Å; L230-Y264 HydrophobicContact CD2-CD1 3.67Å; L230-Y264 HydrophobicContact CD2-CE1 4.17Å; L230-Y264 HydrophobicContact CD2-CG 4.15Å; L230-Y264 HydrophobicContact CG-CD1 4.46Å; L230-Y264 HydrophobicContact CG-CE1 4.5Å; A260-Y264 PolarHBondContact O-N 2.91Å; V261-Y264 WeakPolarHBondContact O-CB 3.45Å; V261-Y264 PolarHBondContact O-N 2.96Å; V261-Y264 VanDerWaalsContact O-N 3.17Å; R262-Y264 VanDerWaalsContact C-N 3.31Å; R262-Y264 PolarHBondContact O-N 2.95Å; Y264-E266 VanDerWaalsContact C-N 3.31Å; Y264-E266 PolarHBondContact O-N 2.78Å; Y264-K267 PolarHBondContact O-N 2.91Å; Y264-K267 VanDerWaalsContact O-N 3.15Å; Y264-S268 WeakPolarHBondContact O-CB 3.47Å; Y264-S268 PolarHBondContact O-N 2.82Å; Y264-N271 WeakPolarHBondContact CE1-ND2 3.42Å
265L98.4Very high98.2Very high21 Ų2151.5 Ų51.511%0.1125%0.253CS..Hα-helixtrans-62-34.8179.2-70-179.5000113V261 R262 K267 S268 N271 V275V261-L265 HydrophobicContact CG1-CD1 4.18Å; V261-L265 HydrophobicContact CG1-CG 4.31Å; V261-L265 WeakPolarHBondContact O-CG 3.36Å; V261-L265 PolarHBondContact O-N 3.02Å; R262-L265 PolarHBondContact O-N 2.88Å; R262-L265 VanDerWaalsContact O-N 3.16Å; L265-K267 PolarHBondContact O-N 2.88Å; L265-S268 PolarHBondContact O-N 2.74Å; L265-N271 HydrophobicContact CD2-CB 3.41Å; L265-N271 VanDerWaalsContact CD2-CB 3.41Å; L265-V275 HydrophobicContact CD1-CB 4.14Å; L265-V275 HydrophobicContact CD1-CG1 4.43Å; L265-V275 HydrophobicContact CD2-CB 4.33Å
266E97.9Very high98.2Very high160 Ų16048.7 Ų48.775%0.74824%0.242SC*.Hα-helixtrans-59.1-31.8175.6-74.9171.3-178.300113R262 Y264R262-E266 WeakPolarHBondContact O-CG 3.37Å; R262-E266 PolarHBondContact O-N 2.86Å; Y264-E266 VanDerWaalsContact C-N 3.31Å; Y264-E266 PolarHBondContact O-N 2.78Å
267K97.1Very high98.2Very high118 Ų11845.6 Ų45.651%0.51322%0.224SC..Hα-helixtrans-94.6-18.9179.7-59.4176.7-178.9177.70113.1D224 Y264 L265D224-K267 IonicContact OD1-NZ 2.72Å; D224-K267 PolarHBondContact OD1-NZ 2.85Å; Y264-K267 PolarHBondContact O-N 2.91Å; Y264-K267 VanDerWaalsContact O-N 3.15Å; L265-K267 PolarHBondContact O-N 2.88Å
268S97.4Very high98.2Very high8 Ų846 Ų466%0.05623%0.226CC..  trans-93.8127.8-168134.40000113.1D227 Y264 L265 A270 N271D227-S268 VanDerWaalsContact OD1-CA 3.26Å; D227-S268 WeakPolarHBondContact OD1-CA 3.34Å; D227-S268 WeakPolarHBondContact OD1-CB 3.01Å; D227-S268 PolarHBondContact OD1-OG 3.17Å; Y264-S268 WeakPolarHBondContact O-CB 3.47Å; Y264-S268 PolarHBondContact O-N 2.82Å; L265-S268 PolarHBondContact O-N 2.74Å; S268-A270 PolarHBondContact OG-N 3.42Å; S268-N271 WeakPolarHBondContact OG-CB 3.34Å; S268-N271 PolarHBondContact OG-N 2.99Å; S268-N271 VanDerWaalsContact OG-N 3.15Å; S268-N271 PolarHBondContact OG-ND2 2.98Å
269N97.3Very high98.2Very high116 Ų11646 Ų4662%0.6223%0.226SC*.THydrogen-bonded Turntrans-95.2-12.9167.5-80-38.6000112.3D227D227-N269 PolarHBondContact OD1-N 3.21Å; D227-N269 WeakPolarHBondContact OD2-CB 3.38Å; D227-N269 PolarHBondContact OD2-N 3.11Å
270A98Very high98.2Very high4 Ų444.9 Ų44.93%0.03322%0.216CC..THydrogen-bonded Turntrans-69.2-36.7177.800000113K205 R206 D227 S268 Q272K205-A270 HydrophobicContact CB-CB 3.95Å; K205-A270 HydrophobicContact CD-CB 3.96Å; K205-A270 HydrophobicContact CG-CB 3.8Å; R206-A270 WeakPolarHBondContact CG-O 3.24Å; D227-A270 WeakPolarHBondContact OD1-CB 3.47Å; D227-A270 PolarHBondContact OD1-N 2.99Å; D227-A270 PolarHBondContact OD2-N 2.82Å; S268-A270 PolarHBondContact OG-N 3.42Å; A270-Q272 VanDerWaalsContact C-N 3.35Å
271N98.1Very high98.2Very high15 Ų1544.9 Ų44.98%0.0822%0.216CC..THydrogen-bonded Turntrans-81.2-11.6-177-72.1-84.7000114.3V228 L230 Y264 L265 S268 G273 R274V228-N271 PolarHBondContact O-ND2 3.06Å; L230-N271 PolarHBondContact N-ND2 3.27Å; L230-N271 PolarHBondContact N-OD1 3.29Å; L230-N271 PolarHBondContact O-OD1 2.93Å; Y264-N271 WeakPolarHBondContact CE1-ND2 3.42Å; L265-N271 HydrophobicContact CD2-CB 3.41Å; L265-N271 VanDerWaalsContact CD2-CB 3.41Å; S268-N271 WeakPolarHBondContact OG-CB 3.34Å; S268-N271 PolarHBondContact OG-N 2.99Å; S268-N271 VanDerWaalsContact OG-N 3.15Å; S268-N271 PolarHBondContact OG-ND2 2.98Å; N271-G273 PolarHBondContact O-N 2.72Å; N271-R274 PolarHBondContact O-N 2.74Å; N271-R274 VanDerWaalsContact O-O 3.12Å
272Q97.1Very high98.2Very high130 Ų13044.9 Ų44.961%0.60722%0.216SC*.THydrogen-bonded Turntrans48.543.6-173.3-57.1-152-92.700112.9R206 A270 R274R206-Q272 VanDerWaalsContact CZ-NE2 3.34Å; A270-Q272 VanDerWaalsContact C-N 3.35Å; Q272-R274 VanDerWaalsContact C-N 3.28Å; Q272-R274 PolarHBondContact O-N 2.79Å
273G96.8Very high98.2Very high39 Ų3944 Ų4440%0.40222%0.216SC..THydrogen-bonded Turntrans72.19.617900000115.6N271 P303N271-G273 PolarHBondContact O-N 2.72Å; G273-P303 VanDerWaalsContact O-CB 3.25Å; G273-P303 WeakPolarHBondContact O-CB 3.47Å
274R98.4Very high98.2Very high110 Ų11045.8 Ų45.842%0.41523%0.228SC..  trans-134.6124.1178.1-67.9-175.1167.5-161.1-0.4112.7N271 Q272 P303 T340N271-R274 PolarHBondContact O-N 2.74Å; N271-R274 VanDerWaalsContact O-O 3.12Å; Q272-R274 VanDerWaalsContact C-N 3.28Å; Q272-R274 PolarHBondContact O-N 2.79Å; R274-P303 WeakPolarHBondContact CA-O 3.4Å; R274-P303 HydrophobicContact CG-CB 4.4Å; R274-T340 PolarHBondContact NH1-OG1 3.09Å
275V98.7Very high98.2Very high0 Ų047.9 Ų47.90%024%0.241CC..EExtended strand (participates in β ladder)trans-77.2151.116966.40000110.8L230 I232 V261 L265 I277 T302 P303 C304 K305L230-V275 HydrophobicContact CB-CG2 4.47Å; L230-V275 HydrophobicContact CD2-CG2 4.21Å; L230-V275 HydrophobicContact CG-CG2 4.19Å; I232-V275 HydrophobicContact CG1-CG2 4.26Å; I232-V275 HydrophobicContact CG2-CG2 4.02Å; V261-V275 HydrophobicContact CG1-CB 3.76Å; V261-V275 HydrophobicContact CG1-CG1 3.82Å; V261-V275 HydrophobicContact CG1-CG2 3.77Å; L265-V275 HydrophobicContact CD1-CB 4.14Å; L265-V275 HydrophobicContact CD1-CG1 4.43Å; L265-V275 HydrophobicContact CD2-CB 4.33Å; V275-I277 HydrophobicContact CG1-CD1 3.85Å; V275-T302 HydrophobicContact CG1-CG2 4.02Å; V275-P303 PolarHBondContact N-O 2.95Å; V275-P303 VanDerWaalsContact N-O 3.13Å; V275-C304 HydrophobicContact CG1-CB 3.7Å; V275-C304 CarbonylContact O-C 3.56Å; V275-C304 WeakPolarHBondContact O-CA 3.42Å; V275-C304 VanDerWaalsContact O-CB 3.3Å; V275-C304 WeakPolarHBondContact O-CB 3.35Å; V275-K305 PolarHBondContact O-N 3.35Å
276T98.8Very high98.2Very high35 Ų3546.9 Ų46.922%0.21524%0.236CC..EExtended strand (participates in β ladder)trans-91.5120.1168.2-59.80000110.1L230 A231 I232 K305 N307L230-T276 PolarHBondContact O-N 2.81Å; A231-T276 CarbonylContact C-O 3.59Å; A231-T276 VanDerWaalsContact CA-O 3.25Å; A231-T276 WeakPolarHBondContact CA-O 3.19Å; A231-T276 HydrophobicContact CB-CG2 4.41Å; I232-T276 PolarHBondContact N-O 2.88Å; T276-K305 WeakPolarHBondContact CA-O 3.44Å; T276-N307 HydrophobicContact CG2-CB 4.19Å; T276-N307 VanDerWaalsContact CG2-ND2 3.31Å; T276-N307 WeakPolarHBondContact CG2-ND2 3.26Å
277I98.9Very high98.2Very high0 Ų039.3 Ų39.30%020%0.201CC..EExtended strand (participates in β ladder)trans-87.4118.7173.5-52.7-60.9000108.4I232 L234 V275 L299 C304 K305 I306 N307I232-I277 HydrophobicContact CD1-CD1 3.48Å; I232-I277 VanDerWaalsContact CD1-CD1 3.48Å; I232-I277 HydrophobicContact CG1-CD1 3.62Å; L234-I277 HydrophobicContact CB-CG2 3.85Å; L234-I277 HydrophobicContact CD2-CG2 3.8Å; L234-I277 HydrophobicContact CG-CG2 4.47Å; V275-I277 HydrophobicContact CG1-CD1 3.85Å; I277-L299 HydrophobicContact CD1-CD2 4.01Å; I277-L299 HydrophobicContact CG1-CD1 3.99Å; I277-L299 HydrophobicContact CG1-CD2 4.34Å; I277-L299 HydrophobicContact CG2-CD1 4.41Å; I277-C304 HydrophobicContact CD1-CB 4.14Å; I277-C304 HydrophobicContact CG1-CB 3.72Å; I277-K305 PolarHBondContact N-O 3.19Å; I277-I306 HydrophobicContact CB-CG1 4.29Å; I277-I306 HydrophobicContact CG1-CG1 4.41Å; I277-N307 PolarHBondContact O-N 2.88Å
278E98.8Very high98.3Very high9 Ų933.9 Ų33.94%0.04218%0.178CC..EExtended strand (participates in β ladder)trans-92126.5169.2-61.7-169.2118.400109.8M176 S211 A231 I232 L234 H235 I309 R344M176-E278 WeakPolarHBondContact CE-OE1 3.48Å; M176-E278 VanDerWaalsContact SD-OE1 3.4Å; S211-E278 PolarHBondContact OG-OE2 3.35Å; A231-E278 HydrophobicContact CB-CG 4.2Å; I232-E278 WeakPolarHBondContact O-CB 3.3Å; I232-E278 PolarHBondContact O-N 3.26Å; L234-E278 PolarHBondContact N-O 3.47Å; L234-E278 VanDerWaalsContact N-O 3.11Å; H235-E278 PolarHBondContact CE1-O 2.78Å; H235-E278 PolarHBondContact N-O 3.03Å; H235-E278 PolarHBondContact ND1-O 3.42Å; E278-I309 HydrophobicContact CB-CD1 3.92Å; E278-I309 HydrophobicContact CG-CD1 4.25Å; E278-R344 IonicContact OE1-NH1 2.68Å; E278-R344 PolarHBondContact OE1-NH1 2.91Å
279Y98.8Very high98.3Very high0 Ų036.5 Ų36.50%019%0.194CC..EExtended strand (participates in β ladder)trans-133.6108.1-177.8-162.7-77.4000109.9H235 P237 M281 N286 L295 N307 L308 I309 F330H235-Y279 VanDerWaalsContact C-CE2 3.48Å; H235-Y279 WeakPolarHBondContact ND1-CA 3.31Å; P237-Y279 WeakPolarHBondContact CD-OH 3.36Å; Y279-M281 HydrophobicContact CD1-SD 3.62Å; Y279-M281 HydrophobicContact CE1-SD 3.98Å; Y279-N286 HydrophobicContact CE1-CB 4.28Å; Y279-N286 WeakPolarHBondContact CE1-O 3.47Å; Y279-N286 WeakPolarHBondContact OH-CB 3.4Å; Y279-N286 PolarHBondContact OH-O 3.34Å; Y279-L295 HydrophobicContact CD2-CD1 4.33Å; Y279-L295 HydrophobicContact CD2-CD2 3.65Å; Y279-L295 HydrophobicContact CE2-CD1 4.22Å; Y279-L295 HydrophobicContact CE2-CD2 3.72Å; Y279-L295 HydrophobicContact CG-CD2 4.33Å; Y279-N307 PolarHBondContact N-O 3.12Å; Y279-L308 HydrophobicContact CD1-CD2 4.4Å; Y279-L308 HydrophobicContact CG-CD2 4.45Å; Y279-L308 CarbonylContact O-C 3.56Å; Y279-L308 WeakPolarHBondContact O-CA 3.36Å; Y279-I309 PolarHBondContact O-N 3.47Å; Y279-F330 HydrophobicContact CD1-CE1 4.4Å; Y279-F330 HydrophobicContact CD1-CZ 4.3Å; Y279-F330 HydrophobicContact CE1-CE1 4.26Å; Y279-F330 HydrophobicContact CE1-CE2 4.35Å; Y279-F330 AromaticContact CE1-CZ 3.73Å; Y279-F330 HydrophobicContact CE1-CZ 3.73Å; Y279-F330 HydrophobicContact CE2-CZ 4.47Å; Y279-F330 AromaticContact CZ-CZ 3.81Å
280V98.4Very high98.4Very high6 Ų635.6 Ų35.64%0.03619%0.186CC..EExtended strand (participates in β ladder)trans-77.4135.217962.40000109.7F131 H235 L282 N286 I309 W311F131-V280 HydrophobicContact CD1-CG1 4.09Å; F131-V280 HydrophobicContact CD2-CG1 3.98Å; F131-V280 HydrophobicContact CD2-CG2 4.4Å; F131-V280 HydrophobicContact CE1-CG1 4.12Å; F131-V280 HydrophobicContact CE2-CG1 4.03Å; F131-V280 HydrophobicContact CG-CG1 4.06Å; F131-V280 HydrophobicContact CZ-CG1 4.12Å; H235-V280 HydrophobicContact CB-CG1 3.76Å; H235-V280 PolarHBondContact ND1-N 3.37Å; V280-L282 HydrophobicContact CG1-CD1 4.25Å; V280-L282 HydrophobicContact CG1-CD2 4.45Å; V280-L282 HydrophobicContact CG1-CG 4.1Å; V280-L282 HydrophobicContact CG2-CD2 4.01Å; V280-L282 HydrophobicContact CG2-CG 4.37Å; V280-N286 PolarHBondContact O-ND2 2.92Å; V280-N286 PolarHBondContact O-OD1 2.97Å; V280-I309 CarbonylContact C-O 3.51Å; V280-I309 WeakPolarHBondContact CA-O 3.32Å; V280-W311 HydrophobicContact CG2-CB 3.73Å; V280-W311 HydrophobicContact CG2-CG 4.09Å
281M98.6Very high98.4Very high0 Ų036.6 Ų36.60%019%0.19CC..EExtended strand (participates in β ladder)trans-96.698.5-176.5-57.1-58.8-67.600109.3Y279 D287 L308 I309 W311 S322 I327 F330Y279-M281 HydrophobicContact CD1-SD 3.62Å; Y279-M281 HydrophobicContact CE1-SD 3.98Å; M281-D287 HydrophobicContact CE-CB 3.76Å; M281-L308 HydrophobicContact CG-CB 4.19Å; M281-L308 HydrophobicContact SD-CB 4.18Å; M281-L308 HydrophobicContact SD-CD1 4.41Å; M281-L308 HydrophobicContact SD-CD2 3.92Å; M281-L308 HydrophobicContact SD-CG 4.39Å; M281-I309 PolarHBondContact N-O 3.29Å; M281-W311 WeakPolarHBondContact O-CB 3.31Å; M281-S322 PolarHBondContact O-N 2.78Å; M281-S322 PolarHBondContact O-OG 3.24Å; M281-I327 HydrophobicContact CB-CD1 4.26Å; M281-I327 HydrophobicContact CB-CG1 4.07Å; M281-I327 HydrophobicContact CE-CG1 4.25Å; M281-I327 HydrophobicContact CG-CD1 4.46Å; M281-I327 HydrophobicContact CG-CG1 4.1Å; M281-F330 HydrophobicContact CE-CB 3.77Å; M281-F330 HydrophobicContact CE-CD1 3.83Å; M281-F330 HydrophobicContact CE-CD2 3.87Å; M281-F330 HydrophobicContact CE-CE1 4.35Å; M281-F330 HydrophobicContact CE-CE2 4.4Å; M281-F330 HydrophobicContact CE-CG 3.56Å; M281-F330 HydrophobicContact SD-CD1 4.31Å; M281-F330 HydrophobicContact SD-CE1 4.41Å
282L98.6Very high98.5Very high0 Ų035.9 Ų35.90%019%0.186CC..BIsolated β-bridgetrans-101.3122.2-179-58.7176.1000109.6F131 I245 V280 H284 V285 N286 W311 Y319 S322F131-L282 HydrophobicContact CB-CD1 4.24Å; F131-L282 HydrophobicContact CB-CD2 3.91Å; F131-L282 HydrophobicContact CD1-CD1 4.16Å; F131-L282 HydrophobicContact CG-CD1 4.45Å; I245-L282 HydrophobicContact CD1-CD1 4.43Å; I245-L282 HydrophobicContact CG2-CD1 4.1Å; V280-L282 HydrophobicContact CG1-CD1 4.25Å; V280-L282 HydrophobicContact CG1-CD2 4.45Å; V280-L282 HydrophobicContact CG1-CG 4.1Å; V280-L282 HydrophobicContact CG2-CD2 4.01Å; V280-L282 HydrophobicContact CG2-CG 4.37Å; L282-H284 PolarHBondContact O-N 2.85Å; L282-V285 HydrophobicContact CB-CB 3.83Å; L282-V285 HydrophobicContact CB-CG1 4.39Å; L282-V285 HydrophobicContact CB-CG2 4.3Å; L282-V285 HydrophobicContact CD1-CG1 4.36Å; L282-V285 PolarHBondContact O-N 3.3Å; L282-V285 VanDerWaalsContact O-N 3.09Å; L282-N286 WeakPolarHBondContact CB-OD1 3.23Å; L282-N286 PolarHBondContact N-OD1 3.37Å; L282-N286 PolarHBondContact O-N 2.89Å; L282-N286 PolarHBondContact O-OD1 3.37Å; L282-W311 HydrophobicContact CD2-CB 3.82Å; L282-W311 HydrophobicContact CD2-CD2 4.13Å; L282-W311 HydrophobicContact CD2-CG 3.53Å; L282-Y319 HydrophobicContact CD1-CD1 4.43Å; L282-Y319 HydrophobicContact CD1-CD2 4.47Å; L282-Y319 HydrophobicContact CD1-CG 4.41Å; L282-Y319 HydrophobicContact CD2-CD2 4.3Å; L282-Y319 HydrophobicContact CD2-CG 4.11Å; L282-S322 PolarHBondContact N-OG 2.83Å
283D98.5Very high98.5Very high54 Ų5433.7 Ų33.729%0.28918%0.176SC..THydrogen-bonded Turntrans-58.3120.4-171.6-169.460.4000111.9V285 G320 S322D283-V285 PolarHBondContact O-N 2.96Å; D283-V285 VanDerWaalsContact O-N 3.1Å; D283-G320 WeakPolarHBondContact CB-O 3.41Å; D283-G320 PolarHBondContact N-O 3.42Å; D283-S322 PolarHBondContact N-OG 2.8Å
284H98.4Very high98.6Very high131 Ų13136.1 Ų36.161%0.60618%0.177SC*.THydrogen-bonded Turntrans56.719.8-179.2-63.587000115.3L282 D287 R326L282-H284 PolarHBondContact O-N 2.85Å; H284-D287 WeakPolarHBondContact CA-OD1 3.4Å; H284-D287 PolarHBondContact N-OD1 3.41Å; H284-D287 PolarHBondContact N-OD2 2.67Å; H284-R326 PolarHBondContact NE2-NH1 2.7Å; H284-R326 VanDerWaalsContact NE2-NH1 3.17Å
285V98.6Very high98.6Very high49 Ų4930.9 Ų30.930%0.29716%0.157SC..THydrogen-bonded Turntrans-107.5-51.8175.4175.60000111I245 L282 D283 H291 Y319I245-V285 HydrophobicContact CG2-CG1 4.26Å; L282-V285 HydrophobicContact CB-CB 3.83Å; L282-V285 HydrophobicContact CB-CG1 4.39Å; L282-V285 HydrophobicContact CB-CG2 4.3Å; L282-V285 HydrophobicContact CD1-CG1 4.36Å; L282-V285 PolarHBondContact O-N 3.3Å; L282-V285 VanDerWaalsContact O-N 3.09Å; D283-V285 PolarHBondContact O-N 2.96Å; D283-V285 VanDerWaalsContact O-N 3.1Å; V285-H291 PolarHBondContact O-CE1 3.19Å; V285-Y319 HydrophobicContact CG2-CD1 3.97Å; V285-Y319 HydrophobicContact CG2-CE1 4.14Å
286N98.6Very high98.7Very high0 Ų031 Ų310%016%0.158CC..THydrogen-bonded Turntrans-139.114.7-172.772-11.4000113H235 I241 Y279 V280 L282 F330H235-N286 PolarHBondContact O-ND2 2.97Å; I241-N286 HydrophobicContact CG2-CB 4.3Å; Y279-N286 HydrophobicContact CE1-CB 4.28Å; Y279-N286 WeakPolarHBondContact CE1-O 3.47Å; Y279-N286 WeakPolarHBondContact OH-CB 3.4Å; Y279-N286 PolarHBondContact OH-O 3.34Å; V280-N286 PolarHBondContact O-ND2 2.92Å; V280-N286 PolarHBondContact O-OD1 2.97Å; L282-N286 WeakPolarHBondContact CB-OD1 3.23Å; L282-N286 PolarHBondContact N-OD1 3.37Å; L282-N286 PolarHBondContact O-N 2.89Å; L282-N286 PolarHBondContact O-OD1 3.37Å; N286-F330 WeakPolarHBondContact O-CE2 3.48Å
287D98.7Very high98.7Very high2 Ų234.3 Ų34.31%0.01117%0.171CC..  trans-119.19.9-163.272.9-23.8000114.4M281 H284 S322 R326M281-D287 HydrophobicContact CE-CB 3.76Å; H284-D287 WeakPolarHBondContact CA-OD1 3.4Å; H284-D287 PolarHBondContact N-OD1 3.41Å; H284-D287 PolarHBondContact N-OD2 2.67Å; D287-S322 WeakPolarHBondContact CB-OG 3.41Å; D287-S322 WeakPolarHBondContact OD2-CB 3.35Å; D287-S322 PolarHBondContact OD2-OG 3.5Å; D287-R326 IonicContact OD1-CZ 3.54Å; D287-R326 IonicContact OD1-NE 2.69Å; D287-R326 PolarHBondContact OD1-NE 2.73Å; D287-R326 IonicContact OD1-NH2 2.61Å; D287-R326 PolarHBondContact OD1-NH2 3.35Å; D287-R326 WeakPolarHBondContact OD2-CD 3.42Å; D287-R326 IonicContact OD2-CZ 3.21Å; D287-R326 IonicContact OD2-NE 3.76Å; D287-R326 PolarHBondContact OD2-NE 3.36Å; D287-R326 IonicContact OD2-NH2 3.13Å
288G98.3Very high98.6Very high3 Ų335.8 Ų35.83%0.03118%0.178CC..SBendtrans-77.8162.8173.100000113.4E290 H291 A292 R326 F330G288-E290 VanDerWaalsContact C-N 3.29Å; G288-E290 VanDerWaalsContact C-OE2 3.32Å; G288-E290 WeakPolarHBondContact CA-OE1 3.28Å; G288-E290 WeakPolarHBondContact CA-OE2 2.99Å; G288-E290 PolarHBondContact O-N 3.45Å; G288-H291 WeakPolarHBondContact O-CB 3.47Å; G288-H291 PolarHBondContact O-N 2.88Å; G288-A292 PolarHBondContact O-N 3.47Å; G288-R326 VanDerWaalsContact CA-NH2 3.3Å; G288-F330 VanDerWaalsContact O-CD2 3.27Å; G288-F330 WeakPolarHBondContact O-CD2 3.38Å; G288-F330 WeakPolarHBondContact O-CE2 3.36Å
289T98.4Very high98.6Very high63 Ų6335.4 Ų35.439%0.38718%0.177SC..Hα-helixtrans-66.7-32.3-178.244.80000112.4H291 A292 H293 R329 V333T289-H291 VanDerWaalsContact C-N 3.3Å; T289-H291 PolarHBondContact O-N 2.97Å; T289-A292 WeakPolarHBondContact O-CB 3.33Å; T289-A292 PolarHBondContact O-N 3.49Å; T289-A292 VanDerWaalsContact O-N 3.16Å; T289-H293 PolarHBondContact O-CD2 3.1Å; T289-H293 PolarHBondContact O-N 3.22Å; T289-R329 HydrophobicContact CG2-CB 4.22Å; T289-V333 HydrophobicContact CG2-CG2 4.16Å
290E98.7Very high98.6Very high97 Ų9741.2 Ų41.245%0.45320%0.202SC..Hα-helixtrans-58-41.6171.968.4-67.8164.900112G288 H293 Q294G288-E290 VanDerWaalsContact C-N 3.29Å; G288-E290 VanDerWaalsContact C-OE2 3.32Å; G288-E290 WeakPolarHBondContact CA-OE1 3.28Å; G288-E290 WeakPolarHBondContact CA-OE2 2.99Å; G288-E290 PolarHBondContact O-N 3.45Å; E290-H293 PolarHBondContact O-N 2.78Å; E290-Q294 WeakPolarHBondContact O-CG 3.41Å; E290-Q294 PolarHBondContact O-N 3.3Å
291H98.8Very high98.6Very high26 Ų2646.2 Ų46.212%0.1223%0.228CC..Hα-helixtrans-67.4-36.1175.2-64.2134.7000111.8P237 I241 V285 G288 T289 Q294 L295 F330P237-H291 WeakPolarHBondContact CB-O 3.47Å; P237-H291 HydrophobicContact CG-CB 3.89Å; I241-H291 WeakPolarHBondContact CD1-NE2 3.45Å; V285-H291 PolarHBondContact O-CE1 3.19Å; G288-H291 WeakPolarHBondContact O-CB 3.47Å; G288-H291 PolarHBondContact O-N 2.88Å; T289-H291 VanDerWaalsContact C-N 3.3Å; T289-H291 PolarHBondContact O-N 2.97Å; H291-Q294 PolarHBondContact O-N 3.09Å; H291-L295 VanDerWaalsContact O-CB 3.29Å; H291-L295 WeakPolarHBondContact O-CB 3.5Å; H291-L295 PolarHBondContact O-N 3.23Å; H291-F330 HydrophobicContact CB-CE2 3.94Å
292A98.8Very high98.6Very high0 Ų046.3 Ų46.30%023%0.229CC..Hα-helixtrans-64.5-39.8174.700000112.3G288 T289 L295 A296 F330 V333 L334G288-A292 PolarHBondContact O-N 3.47Å; T289-A292 WeakPolarHBondContact O-CB 3.33Å; T289-A292 PolarHBondContact O-N 3.49Å; T289-A292 VanDerWaalsContact O-N 3.16Å; A292-L295 PolarHBondContact O-N 3.11Å; A292-A296 WeakPolarHBondContact O-CB 3.43Å; A292-A296 PolarHBondContact O-N 2.79Å; A292-F330 HydrophobicContact CB-CD1 4.14Å; A292-F330 HydrophobicContact CB-CD2 3.69Å; A292-F330 HydrophobicContact CB-CE1 4.18Å; A292-F330 HydrophobicContact CB-CE2 3.73Å; A292-F330 HydrophobicContact CB-CG 3.9Å; A292-F330 HydrophobicContact CB-CZ 3.98Å; A292-V333 HydrophobicContact CB-CB 3.76Å; A292-V333 HydrophobicContact CB-CG1 3.6Å; A292-L334 HydrophobicContact CB-CD2 4.44Å; A292-L334 HydrophobicContact CB-CG 4.41Å
293H98.8Very high98.5Very high84 Ų8449.6 Ų49.639%0.38925%0.251SS..Hα-helixtrans-64.5-44.8174-76.5-71.9000112T289 E290 L295 A296 E297 Y337T289-H293 PolarHBondContact O-CD2 3.1Å; T289-H293 PolarHBondContact O-N 3.22Å; E290-H293 PolarHBondContact O-N 2.78Å; H293-L295 VanDerWaalsContact C-N 3.35Å; H293-L295 PolarHBondContact O-N 3.45Å; H293-A296 PolarHBondContact O-N 3Å; H293-E297 PolarHBondContact O-N 3.06Å; H293-E297 VanDerWaalsContact O-N 3.12Å; H293-Y337 AromaticContact CE1-CE2 3.92Å; H293-Y337 AromaticContact ND1-CE2 3.43Å; H293-Y337 WeakPolarHBondContact ND1-CE2 3.35Å; H293-Y337 AromaticContact ND1-CZ 3.58Å; H293-Y337 PolarHBondContact ND1-OH 3.38Å
294Q98.8Very high98.6Very high89 Ų8947.3 Ų47.342%0.41624%0.239SC..Hα-helixtrans-60.9-43.4174.9-72.9179.4-14.400111.8P237 N238 E290 H291 A296 E297 L298P237-Q294 HydrophobicContact CB-CB 3.75Å; P237-Q294 HydrophobicContact CG-CB 4.34Å; N238-Q294 PolarHBondContact ND2-OE1 2.8Å; E290-Q294 WeakPolarHBondContact O-CG 3.41Å; E290-Q294 PolarHBondContact O-N 3.3Å; H291-Q294 PolarHBondContact O-N 3.09Å; Q294-A296 VanDerWaalsContact C-N 3.35Å; Q294-A296 PolarHBondContact O-N 3.18Å; Q294-E297 PolarHBondContact O-N 3.17Å; Q294-L298 WeakPolarHBondContact O-CB 3.39Å; Q294-L298 PolarHBondContact O-N 3.49Å
295L98.8Very high98.6Very high0 Ų045.7 Ų45.70%023%0.23CC..Hα-helixtrans-63.4-40178-175.861.2000112L234 P237 Y279 H291 A292 H293 L298 L299 F330 L334L234-L295 HydrophobicContact CD2-CD1 3.69Å; P237-L295 HydrophobicContact CB-CB 4.01Å; Y279-L295 HydrophobicContact CD2-CD1 4.33Å; Y279-L295 HydrophobicContact CD2-CD2 3.65Å; Y279-L295 HydrophobicContact CE2-CD1 4.22Å; Y279-L295 HydrophobicContact CE2-CD2 3.72Å; Y279-L295 HydrophobicContact CG-CD2 4.33Å; H291-L295 VanDerWaalsContact O-CB 3.29Å; H291-L295 WeakPolarHBondContact O-CB 3.5Å; H291-L295 PolarHBondContact O-N 3.23Å; A292-L295 PolarHBondContact O-N 3.11Å; H293-L295 VanDerWaalsContact C-N 3.35Å; H293-L295 PolarHBondContact O-N 3.45Å; L295-L298 HydrophobicContact CD1-CD2 4.22Å; L295-L298 PolarHBondContact O-N 3.32Å; L295-L299 HydrophobicContact CD1-CD1 3.68Å; L295-L299 HydrophobicContact CD1-CG 4.03Å; L295-L299 HydrophobicContact CG-CD1 3.88Å; L295-L299 HydrophobicContact CG-CG 4.48Å; L295-L299 WeakPolarHBondContact O-CB 3.45Å; L295-L299 WeakPolarHBondContact O-CG 3.29Å; L295-L299 PolarHBondContact O-N 3.11Å; L295-F330 HydrophobicContact CD2-CE1 4.05Å; L295-F330 HydrophobicContact CD2-CZ 4.06Å; L295-L334 HydrophobicContact CB-CD2 4.32Å; L295-L334 HydrophobicContact CD2-CD1 4.27Å; L295-L334 HydrophobicContact CD2-CD2 4.1Å; L295-L334 HydrophobicContact CG-CD2 4.28Å
296A98.8Very high98.6Very high2 Ų243.3 Ų43.32%0.01722%0.216CC..Hα-helixtrans-63.7-43.2177.400000111.9A292 H293 Q294 L299 K300 L334 Y337 F339A292-A296 WeakPolarHBondContact O-CB 3.43Å; A292-A296 PolarHBondContact O-N 2.79Å; H293-A296 PolarHBondContact O-N 3Å; Q294-A296 VanDerWaalsContact C-N 3.35Å; Q294-A296 PolarHBondContact O-N 3.18Å; A296-L299 PolarHBondContact O-N 3.33Å; A296-K300 PolarHBondContact O-N 2.82Å; A296-L334 HydrophobicContact CB-CD2 4.31Å; A296-Y337 HydrophobicContact CB-CD1 3.78Å; A296-Y337 HydrophobicContact CB-CD2 3.64Å; A296-Y337 HydrophobicContact CB-CE1 4.08Å; A296-Y337 HydrophobicContact CB-CE2 3.96Å; A296-Y337 HydrophobicContact CB-CG 3.55Å; A296-F339 HydrophobicContact CB-CE2 3.95Å
297E98.7Very high98.6Very high105 Ų10545.2 Ų45.249%0.49123%0.226SC..Hα-helixtrans-65-43.9175.3-179.159.7-15900111.6H293 Q294 L299 K300H293-E297 PolarHBondContact O-N 3.06Å; H293-E297 VanDerWaalsContact O-N 3.12Å; Q294-E297 PolarHBondContact O-N 3.17Å; E297-L299 VanDerWaalsContact C-N 3.29Å; E297-L299 PolarHBondContact O-N 2.81Å; E297-K300 WeakPolarHBondContact O-CB 3.14Å; E297-K300 WeakPolarHBondContact O-CD 3.45Å; E297-K300 WeakPolarHBondContact O-CG 3.01Å; E297-K300 PolarHBondContact O-N 3.37Å; E297-K300 WeakPolarHBondContact OE1-CD 3.41Å; E297-K300 WeakPolarHBondContact OE1-CE 3.43Å; E297-K300 IonicContact OE1-NZ 3.03Å; E297-K300 PolarHBondContact OE1-NZ 3.02Å
298L98.7Very high98.6Very high31 Ų3145.1 Ų45.116%0.16223%0.225CC..Hα-helixtrans-57.8-41.2177.4173.966.3000112.3L234 I254 L258 Q294 L295L234-L298 HydrophobicContact CD2-CD2 4.26Å; I254-L298 HydrophobicContact CD1-CD2 4.27Å; I254-L298 HydrophobicContact CG2-CD1 3.6Å; I254-L298 HydrophobicContact CG2-CD2 3.69Å; I254-L298 HydrophobicContact CG2-CG 4.12Å; L258-L298 HydrophobicContact CD1-CD1 4Å; L258-L298 HydrophobicContact CD1-CG 4.1Å; Q294-L298 WeakPolarHBondContact O-CB 3.39Å; Q294-L298 PolarHBondContact O-N 3.49Å; L295-L298 HydrophobicContact CD1-CD2 4.22Å; L295-L298 PolarHBondContact O-N 3.32Å
299L98.7Very high98.6Very high1 Ų145.7 Ų45.71%0.00523%0.227CC..THydrogen-bonded Turntrans-90.82.1-173.8-65.2177000114.1L234 L258 I277 L295 A296 E297 D301 T302 I306 F339L234-L299 HydrophobicContact CD2-CD2 4.13Å; L258-L299 HydrophobicContact CD1-CD2 4.24Å; L258-L299 HydrophobicContact CD2-CD2 4.27Å; I277-L299 HydrophobicContact CD1-CD2 4.01Å; I277-L299 HydrophobicContact CG1-CD1 3.99Å; I277-L299 HydrophobicContact CG1-CD2 4.34Å; I277-L299 HydrophobicContact CG2-CD1 4.41Å; L295-L299 HydrophobicContact CD1-CD1 3.68Å; L295-L299 HydrophobicContact CD1-CG 4.03Å; L295-L299 HydrophobicContact CG-CD1 3.88Å; L295-L299 HydrophobicContact CG-CG 4.48Å; L295-L299 WeakPolarHBondContact O-CB 3.45Å; L295-L299 WeakPolarHBondContact O-CG 3.29Å; L295-L299 PolarHBondContact O-N 3.11Å; A296-L299 PolarHBondContact O-N 3.33Å; E297-L299 VanDerWaalsContact C-N 3.29Å; E297-L299 PolarHBondContact O-N 2.81Å; L299-D301 PolarHBondContact O-N 3.19Å; L299-D301 VanDerWaalsContact O-N 3.1Å; L299-T302 PolarHBondContact O-N 2.72Å; L299-I306 HydrophobicContact CD1-CD1 3.93Å; L299-I306 HydrophobicContact CD1-CG1 4.29Å; L299-F339 HydrophobicContact CB-CE1 3.95Å; L299-F339 HydrophobicContact CB-CZ 3.77Å
300K98.1Very high98.5Very high122 Ų12242.9 Ų42.953%0.5321%0.21SC..THydrogen-bonded Turntrans-54.6-34-175.373.4-172.6176.31780113.8A296 E297A296-K300 PolarHBondContact O-N 2.82Å; E297-K300 WeakPolarHBondContact O-CB 3.14Å; E297-K300 WeakPolarHBondContact O-CD 3.45Å; E297-K300 WeakPolarHBondContact O-CG 3.01Å; E297-K300 PolarHBondContact O-N 3.37Å; E297-K300 WeakPolarHBondContact OE1-CD 3.41Å; E297-K300 WeakPolarHBondContact OE1-CE 3.43Å; E297-K300 IonicContact OE1-NZ 3.03Å; E297-K300 PolarHBondContact OE1-NZ 3.02Å
301D97.9Very high98.5Very high111 Ų11138.8 Ų38.859%0.59419%0.191SC*.THydrogen-bonded Turntrans-100.58.6-178.4-61.3-46.8000113L299L299-D301 PolarHBondContact O-N 3.19Å; L299-D301 VanDerWaalsContact O-N 3.1Å
302T98.4Very high98.2Very high2 Ų237.8 Ų37.81%0.01219%0.186CC..SBendtrans-121.2100.4-179-56.20000110.3L258 R262 V275 L299 C304L258-T302 HydrophobicContact CD2-CG2 4.39Å; R262-T302 PolarHBondContact NH1-OG1 3.46Å; R262-T302 VanDerWaalsContact NH1-OG1 3.08Å; V275-T302 HydrophobicContact CG1-CG2 4.02Å; L299-T302 PolarHBondContact O-N 2.72Å; T302-C304 PolarHBondContact O-N 3.16Å; T302-C304 PolarHBondContact O-SG 3.05Å
303P98.2Very high97.9Very high70 Ų7041 Ų4146%0.45521%0.207SC..  trans-57.6115.6177.7-26.836.1000111.6G273 R274 V275G273-P303 VanDerWaalsContact O-CB 3.25Å; G273-P303 WeakPolarHBondContact O-CB 3.47Å; R274-P303 WeakPolarHBondContact CA-O 3.4Å; R274-P303 HydrophobicContact CG-CB 4.4Å; V275-P303 PolarHBondContact N-O 2.95Å; V275-P303 VanDerWaalsContact N-O 3.13Å
304C98.8Very high97.6Very high6 Ų637.7 Ų37.74%0.04119%0.191CC..EExtended strand (participates in β ladder)trans-149.5174-172.272.30000114.8V275 I277 T302V275-C304 HydrophobicContact CG1-CB 3.7Å; V275-C304 CarbonylContact O-C 3.56Å; V275-C304 WeakPolarHBondContact O-CA 3.42Å; V275-C304 VanDerWaalsContact O-CB 3.3Å; V275-C304 WeakPolarHBondContact O-CB 3.35Å; I277-C304 HydrophobicContact CD1-CB 4.14Å; I277-C304 HydrophobicContact CG1-CB 3.72Å; T302-C304 PolarHBondContact O-N 3.16Å; T302-C304 PolarHBondContact O-SG 3.05Å
305K98.7Very high97.2Very high96 Ų9638.5 Ų38.542%0.41721%0.205SC..EExtended strand (participates in β ladder)trans-124.9143.9161-57.1177.8-174.9172.70107.4V275 T276 I277 T340V275-K305 PolarHBondContact O-N 3.35Å; T276-K305 WeakPolarHBondContact CA-O 3.44Å; I277-K305 PolarHBondContact N-O 3.19Å; K305-T340 HydrophobicContact CG-CG2 4.41Å
306I98.8Very high96.6Very high0 Ų042 Ų420%024%0.24CC..EExtended strand (participates in β ladder)trans-108.1121.8-174.4-56.3173.9000109.4I277 L299 L308 L334 F339 T340 T341 I342I277-I306 HydrophobicContact CB-CG1 4.29Å; I277-I306 HydrophobicContact CG1-CG1 4.41Å; L299-I306 HydrophobicContact CD1-CD1 3.93Å; L299-I306 HydrophobicContact CD1-CG1 4.29Å; I306-L308 HydrophobicContact CG2-CD2 3.72Å; I306-L308 HydrophobicContact CG2-CG 4.42Å; I306-L334 HydrophobicContact CB-CD1 4.49Å; I306-L334 HydrophobicContact CD1-CB 4.44Å; I306-L334 HydrophobicContact CD1-CD1 3.81Å; I306-L334 HydrophobicContact CD1-CD2 4.01Å; I306-L334 HydrophobicContact CD1-CG 4.32Å; I306-L334 HydrophobicContact CG2-CD1 3.93Å; I306-F339 HydrophobicContact CD1-CB 3.86Å; I306-F339 HydrophobicContact CD1-CD1 3.96Å; I306-F339 HydrophobicContact CD1-CD2 4.28Å; I306-F339 HydrophobicContact CD1-CG 3.77Å; I306-F339 HydrophobicContact CG1-CB 4.49Å; I306-F339 HydrophobicContact CG1-CD1 4.47Å; I306-T340 PolarHBondContact N-O 3.23Å; I306-T341 HydrophobicContact CB-CG2 4.38Å; I306-T341 HydrophobicContact CG2-CG2 4.42Å; I306-T341 CarbonylContact O-C 3.54Å; I306-T341 WeakPolarHBondContact O-CA 3.48Å; I306-I342 PolarHBondContact O-N 2.83Å
307N98.6Very high96.3Very high39 Ų3943 Ų4321%0.20925%0.249CC..EExtended strand (participates in β ladder)trans-104.9104.6172.6-78.2-2.1000109.1T276 I277 Y279 I342T276-N307 HydrophobicContact CG2-CB 4.19Å; T276-N307 VanDerWaalsContact CG2-ND2 3.31Å; T276-N307 WeakPolarHBondContact CG2-ND2 3.26Å; I277-N307 PolarHBondContact O-N 2.88Å; Y279-N307 PolarHBondContact N-O 3.12Å; N307-I342 CarbonylContact C-O 3.6Å; N307-I342 WeakPolarHBondContact CA-O 3.38Å
308L98.7Very high96Very high0 Ų042.8 Ų42.80%026%0.257CS..EExtended strand (participates in β ladder)trans-78.5128.1171.8-54.8-176.1000109Y279 M281 I306 I327 F330 L334 T341 I342 V343 R344Y279-L308 HydrophobicContact CD1-CD2 4.4Å; Y279-L308 HydrophobicContact CG-CD2 4.45Å; Y279-L308 CarbonylContact O-C 3.56Å; Y279-L308 WeakPolarHBondContact O-CA 3.36Å; M281-L308 HydrophobicContact CG-CB 4.19Å; M281-L308 HydrophobicContact SD-CB 4.18Å; M281-L308 HydrophobicContact SD-CD1 4.41Å; M281-L308 HydrophobicContact SD-CD2 3.92Å; M281-L308 HydrophobicContact SD-CG 4.39Å; I306-L308 HydrophobicContact CG2-CD2 3.72Å; I306-L308 HydrophobicContact CG2-CG 4.42Å; L308-I327 HydrophobicContact CD1-CG2 4.44Å; L308-F330 HydrophobicContact CD1-CD1 3.87Å; L308-F330 HydrophobicContact CD2-CD1 3.92Å; L308-F330 HydrophobicContact CD2-CE1 3.82Å; L308-L334 HydrophobicContact CD2-CD1 4.09Å; L308-T341 HydrophobicContact CD1-CG2 3.79Å; L308-T341 HydrophobicContact CD2-CG2 4.48Å; L308-T341 HydrophobicContact CG-CG2 3.83Å; L308-I342 PolarHBondContact N-O 2.75Å; L308-V343 HydrophobicContact CB-CG2 4.4Å; L308-V343 HydrophobicContact CD1-CG2 4.41Å; L308-V343 CarbonylContact O-C 3.56Å; L308-V343 WeakPolarHBondContact O-CA 3.38Å; L308-R344 PolarHBondContact O-N 3.16Å
309I98.2Very high95.8Very high15 Ų1543.5 Ų43.58%0.07726%0.258CS..EExtended strand (participates in β ladder)trans-114106-176.8-56.1173000107.4E278 Y279 V280 M281 W311 R344E278-I309 HydrophobicContact CB-CD1 3.92Å; E278-I309 HydrophobicContact CG-CD1 4.25Å; Y279-I309 PolarHBondContact O-N 3.47Å; V280-I309 CarbonylContact C-O 3.51Å; V280-I309 WeakPolarHBondContact CA-O 3.32Å; M281-I309 PolarHBondContact N-O 3.29Å; I309-W311 PolarHBondContact O-N 2.64Å; I309-W311 VanDerWaalsContact O-N 3.15Å; I309-R344 HydrophobicContact CG1-CB 4.32Å
310P97.5Very high95.7Very high5 Ų545 Ų453%0.03227%0.273CS..EExtended strand (participates in β ladder)trans-54.6123.2168.1-19.330.5000108.8R321 I327 V343 R344P310-R321 HydrophobicContact CB-CG 4.45Å; P310-I327 HydrophobicContact CB-CD1 4Å; P310-I327 HydrophobicContact CG-CD1 4.08Å; P310-V343 HydrophobicContact CG-CG1 3.82Å; P310-R344 WeakPolarHBondContact CD-O 3.49Å
311W97.1Very high95.7Very high11 Ų1144 Ų444%0.04227%0.266CS..  trans-63.9139.4-176.4179.274000111.2F131 V280 M281 L282 I309 P313 F314 A317 Y319 R321F131-W311 PolarHBondContact O-NE1 3.21Å; V280-W311 HydrophobicContact CG2-CB 3.73Å; V280-W311 HydrophobicContact CG2-CG 4.09Å; M281-W311 WeakPolarHBondContact O-CB 3.31Å; L282-W311 HydrophobicContact CD2-CB 3.82Å; L282-W311 HydrophobicContact CD2-CD2 4.13Å; L282-W311 HydrophobicContact CD2-CG 3.53Å; I309-W311 PolarHBondContact O-N 2.64Å; I309-W311 VanDerWaalsContact O-N 3.15Å; W311-P313 VanDerWaalsContact CH2-CA 3.44Å; W311-P313 HydrophobicContact CH2-CB 3.89Å; W311-P313 HydrophobicContact CZ3-CB 3.74Å; W311-F314 AromaticContact CZ2-CD1 3.98Å; W311-F314 HydrophobicContact CZ2-CD1 3.98Å; W311-F314 AromaticContact CZ2-CE1 3.67Å; W311-F314 HydrophobicContact CZ2-CE1 3.67Å; W311-F314 HydrophobicContact CZ2-CZ 4.35Å; W311-A317 HydrophobicContact CH2-CB 3.43Å; W311-A317 VanDerWaalsContact CH2-CB 3.43Å; W311-A317 HydrophobicContact CZ2-CB 3.43Å; W311-A317 VanDerWaalsContact CZ2-CB 3.43Å; W311-Y319 WeakPolarHBondContact CH2-O 3.29Å; W311-Y319 WeakPolarHBondContact CZ3-O 3.49Å; W311-R321 HydrophobicContact CE3-CB 4.3Å; W311-R321 WeakPolarHBondContact O-CB 3.24Å; W311-R321 WeakPolarHBondContact O-CD 3.36Å; W311-R321 WeakPolarHBondContact O-CG 3.07Å
312N93.8Very high95.7Very high4 Ų438.8 Ų38.82%0.02124%0.238CC..  trans-105.9127.5179.3-50.3-63.1000108.8T346 A354 C355 Q357N312-T346 WeakPolarHBondContact OD1-CG2 3.48Å; N312-A354 HydrophobicContact CB-CB 3.96Å; N312-A354 VanDerWaalsContact CG-CB 3.42Å; N312-A354 WeakPolarHBondContact ND2-CB 3.17Å; N312-C355 PolarHBondContact ND2-O 3.18Å; N312-Q357 HydrophobicContact CB-CG 3.97Å
313P92.5Very high95.7Very high67 Ų6741.3 Ų41.344%0.43526%0.256SS..  trans-71.3153.3-173.830.4-35000112.6W311 Q357W311-P313 VanDerWaalsContact CH2-CA 3.44Å; W311-P313 HydrophobicContact CH2-CB 3.89Å; W311-P313 HydrophobicContact CZ3-CB 3.74Å; P313-Q357 WeakPolarHBondContact O-CG 3.35Å; P313-Q357 PolarHBondContact O-NE2 3.19Å
314F92.3Very high95.6Very high15 Ų1543.5 Ų43.57%0.06626%0.263CS..  trans-141.9159.9167.958.8-93.3000109.4F131 Q136 W311 G316 A317F131-F314 VanDerWaalsContact C-CE1 3.45Å; F131-F314 VanDerWaalsContact O-CE1 3.28Å; F131-F314 WeakPolarHBondContact O-CE1 3.42Å; Q136-F314 HydrophobicContact CG-CE2 3.99Å; W311-F314 AromaticContact CZ2-CD1 3.98Å; W311-F314 HydrophobicContact CZ2-CD1 3.98Å; W311-F314 AromaticContact CZ2-CE1 3.67Å; W311-F314 HydrophobicContact CZ2-CE1 3.67Å; W311-F314 HydrophobicContact CZ2-CZ 4.35Å; F314-G316 PolarHBondContact O-N 2.81Å; F314-A317 HydrophobicContact CD1-CB 4.3Å; F314-A317 HydrophobicContact CD2-CB 3.92Å; F314-A317 HydrophobicContact CE1-CB 3.93Å; F314-A317 HydrophobicContact CE2-CB 3.45Å; F314-A317 VanDerWaalsContact CE2-CB 3.45Å; F314-A317 HydrophobicContact CG-CB 4.3Å; F314-A317 HydrophobicContact CZ-CB 3.5Å; F314-A317 WeakPolarHBondContact O-CB 3.44Å; F314-A317 PolarHBondContact O-N 3.15Å
315P89.5Confident95.6Very high107 Ų10746 Ų4670%0.69528%0.281SS*.THydrogen-bonded Turntrans-56130.3-176.3-27.436.2000113.4Q136 A317Q136-P315 PolarHBondContact OE1-O 2.76Å; P315-A317 VanDerWaalsContact C-N 3.3Å; P315-A317 PolarHBondContact O-N 3.31Å
316G87.8Confident95.6Very high72 Ų7243.3 Ų43.374%0.74227%0.268SS*.THydrogen-bonded Turntrans76.48176.700000115.7F314F314-G316 PolarHBondContact O-N 2.81Å
317A91.1Very high95.6Very high25 Ų2543.5 Ų43.521%0.20727%0.269CS..  trans-65.8138.5174.200000112.5W311 F314 P315 Y319W311-A317 HydrophobicContact CH2-CB 3.43Å; W311-A317 VanDerWaalsContact CH2-CB 3.43Å; W311-A317 HydrophobicContact CZ2-CB 3.43Å; W311-A317 VanDerWaalsContact CZ2-CB 3.43Å; F314-A317 HydrophobicContact CD1-CB 4.3Å; F314-A317 HydrophobicContact CD2-CB 3.92Å; F314-A317 HydrophobicContact CE1-CB 3.93Å; F314-A317 HydrophobicContact CE2-CB 3.45Å; F314-A317 VanDerWaalsContact CE2-CB 3.45Å; F314-A317 HydrophobicContact CG-CB 4.3Å; F314-A317 HydrophobicContact CZ-CB 3.5Å; F314-A317 WeakPolarHBondContact O-CB 3.44Å; F314-A317 PolarHBondContact O-N 3.15Å; P315-A317 VanDerWaalsContact C-N 3.3Å; P315-A317 PolarHBondContact O-N 3.31Å; A317-Y319 VanDerWaalsContact C-N 3.27Å; A317-Y319 PolarHBondContact O-N 2.82Å
318P92.2Very high95.6Very high100 Ų10045.1 Ų45.165%0.64928%0.278SS*.SBendtrans-86.38.6178.136.4-37000113.7
319Y96.1Very high95.6Very high46 Ų4650.4 Ų50.418%0.1830%0.298CS..  trans-116.2157.7-173.1-57-60.3000112.3K130 F131 L282 V285 W311 A317K130-Y319 HydrophobicContact CB-CE2 3.75Å; K130-Y319 WeakPolarHBondContact CB-OH 3.41Å; F131-Y319 HydrophobicContact CB-CD2 3.93Å; F131-Y319 HydrophobicContact CB-CE2 4.06Å; L282-Y319 HydrophobicContact CD1-CD1 4.43Å; L282-Y319 HydrophobicContact CD1-CD2 4.47Å; L282-Y319 HydrophobicContact CD1-CG 4.41Å; L282-Y319 HydrophobicContact CD2-CD2 4.3Å; L282-Y319 HydrophobicContact CD2-CG 4.11Å; V285-Y319 HydrophobicContact CG2-CD1 3.97Å; V285-Y319 HydrophobicContact CG2-CE1 4.14Å; W311-Y319 WeakPolarHBondContact CH2-O 3.29Å; W311-Y319 WeakPolarHBondContact CZ3-O 3.49Å; A317-Y319 VanDerWaalsContact C-N 3.27Å; A317-Y319 PolarHBondContact O-N 2.82Å
320G95.8Very high95.6Very high32 Ų3249.7 Ų49.733%0.3329%0.294SS..  trans-109.6157.3168.300000111.7D283D283-G320 WeakPolarHBondContact CB-O 3.41Å; D283-G320 PolarHBondContact N-O 3.42Å
321R97.2Very high95.7Very high102 Ų10250 Ų5039%0.38530%0.297SS..BIsolated β-bridgetrans-75.3125.6169.2176.6179.4172.4164.53.9109.2P310 W311 S323P310-R321 HydrophobicContact CB-CG 4.45Å; W311-R321 HydrophobicContact CE3-CB 4.3Å; W311-R321 WeakPolarHBondContact O-CB 3.24Å; W311-R321 WeakPolarHBondContact O-CD 3.36Å; W311-R321 WeakPolarHBondContact O-CG 3.07Å; R321-S323 PolarHBondContact O-N 2.99Å
322S98.2Very high95.7Very high1 Ų155.3 Ų55.31%0.00732%0.32CS..PPolyproline II helixtrans-52.7135.9172.8-60.70000111.8M281 L282 D283 D287 I327M281-S322 PolarHBondContact O-N 2.78Å; M281-S322 PolarHBondContact O-OG 3.24Å; L282-S322 PolarHBondContact N-OG 2.83Å; D283-S322 PolarHBondContact N-OG 2.8Å; D287-S322 WeakPolarHBondContact CB-OG 3.41Å; D287-S322 WeakPolarHBondContact OD2-CB 3.35Å; D287-S322 PolarHBondContact OD2-OG 3.5Å; S322-I327 WeakPolarHBondContact O-CD1 3.48Å
323S98.1Very high96Very high54 Ų5456.1 Ų56.138%0.37833%0.325SS..PPolyproline II helixtrans-60148.6174.472.10000111.8R321 S325 R326 I327R321-S323 PolarHBondContact O-N 2.99Å; S323-S325 PolarHBondContact O-N 3.44Å; S323-S325 VanDerWaalsContact O-N 3.08Å; S323-S325 PolarHBondContact OG-OG 2.85Å; S323-R326 PolarHBondContact O-N 3.04Å; S323-R326 WeakPolarHBondContact OG-CG 3.19Å; S323-R326 PolarHBondContact OG-N 3.34Å; S323-I327 PolarHBondContact O-N 3.46Å; S323-I327 VanDerWaalsContact O-N 3.07Å
324N97.6Very high96.3Very high116 Ų11653 Ų5362%0.6230%0.304SS*.Hα-helixtrans-55.2-32.1178.5-70.1-14.8000112.6I327 D328N324-I327 PolarHBondContact O-N 2.9Å; N324-D328 WeakPolarHBondContact O-CB 3.43Å; N324-D328 PolarHBondContact O-N 2.85Å
325S98.3Very high96.6Very high58 Ų5857.4 Ų57.441%0.40633%0.327SS..Hα-helixtrans-67.1-36.6176.3820000113.1S323 R329S323-S325 PolarHBondContact O-N 3.44Å; S323-S325 VanDerWaalsContact O-N 3.08Å; S323-S325 PolarHBondContact OG-OG 2.85Å; S325-R329 WeakPolarHBondContact O-CG 3.27Å; S325-R329 PolarHBondContact O-N 3.04Å; S325-R329 VanDerWaalsContact O-N 3.13Å; S325-R329 PolarHBondContact O-NH1 3.39Å; S325-R329 PolarHBondContact OG-NH1 3.49Å; S325-R329 VanDerWaalsContact OG-NH1 3.15Å
326R98.5Very high97Very high40 Ų4056.8 Ų56.815%0.15133%0.325CS..Hα-helixtrans-69.9-45.4175.5-70.8179.370.580.58110.1H284 D287 G288 S323 D328 R329 F330H284-R326 PolarHBondContact NE2-NH1 2.7Å; H284-R326 VanDerWaalsContact NE2-NH1 3.17Å; D287-R326 IonicContact OD1-CZ 3.54Å; D287-R326 IonicContact OD1-NE 2.69Å; D287-R326 PolarHBondContact OD1-NE 2.73Å; D287-R326 IonicContact OD1-NH2 2.61Å; D287-R326 PolarHBondContact OD1-NH2 3.35Å; D287-R326 WeakPolarHBondContact OD2-CD 3.42Å; D287-R326 IonicContact OD2-CZ 3.21Å; D287-R326 IonicContact OD2-NE 3.76Å; D287-R326 PolarHBondContact OD2-NE 3.36Å; D287-R326 IonicContact OD2-NH2 3.13Å; G288-R326 VanDerWaalsContact CA-NH2 3.3Å; S323-R326 PolarHBondContact O-N 3.04Å; S323-R326 WeakPolarHBondContact OG-CG 3.19Å; S323-R326 PolarHBondContact OG-N 3.34Å; R326-D328 PolarHBondContact O-N 3.06Å; R326-R329 PolarHBondContact O-N 2.8Å; R326-F330 WeakPolarHBondContact O-CB 3.35Å; R326-F330 PolarHBondContact O-N 2.83Å
327I98.6Very high97.5Very high5 Ų558.9 Ų58.93%0.02631%0.311CS..Hα-helixtrans-59-46.3177-61.5172.4000111.2M281 L308 P310 S322 S323 N324 F330 S331 V343M281-I327 HydrophobicContact CB-CD1 4.26Å; M281-I327 HydrophobicContact CB-CG1 4.07Å; M281-I327 HydrophobicContact CE-CG1 4.25Å; M281-I327 HydrophobicContact CG-CD1 4.46Å; M281-I327 HydrophobicContact CG-CG1 4.1Å; L308-I327 HydrophobicContact CD1-CG2 4.44Å; P310-I327 HydrophobicContact CB-CD1 4Å; P310-I327 HydrophobicContact CG-CD1 4.08Å; S322-I327 WeakPolarHBondContact O-CD1 3.48Å; S323-I327 PolarHBondContact O-N 3.46Å; S323-I327 VanDerWaalsContact O-N 3.07Å; N324-I327 PolarHBondContact O-N 2.9Å; I327-F330 PolarHBondContact O-N 2.56Å; I327-S331 WeakPolarHBondContact O-CB 3.46Å; I327-S331 PolarHBondContact O-N 2.79Å; I327-V343 HydrophobicContact CG2-CG1 3.96Å; I327-V343 HydrophobicContact CG2-CG2 3.69Å
328D98.5Very high97.9Very high73 Ų7360.7 Ų60.739%0.3933%0.333SS..Hα-helixtrans-61.5-46177.4174.870.1000111.9N324 R326 S331 K332N324-D328 WeakPolarHBondContact O-CB 3.43Å; N324-D328 PolarHBondContact O-N 2.85Å; R326-D328 PolarHBondContact O-N 3.06Å; D328-S331 PolarHBondContact O-N 3.15Å; D328-K332 WeakPolarHBondContact O-CB 3.37Å; D328-K332 WeakPolarHBondContact O-CG 3.43Å; D328-K332 PolarHBondContact O-N 3.49Å; D328-K332 VanDerWaalsContact OD1-CE 3.31Å; D328-K332 WeakPolarHBondContact OD1-CE 3.5Å; D328-K332 IonicContact OD1-NZ 2.74Å; D328-K332 PolarHBondContact OD1-NZ 2.79Å; D328-K332 VanDerWaalsContact OD2-CE 3.31Å; D328-K332 WeakPolarHBondContact OD2-CE 3.07Å; D328-K332 IonicContact OD2-NZ 3.42Å; D328-K332 PolarHBondContact OD2-NZ 3.28Å
329R98.6Very high98.2Very high110 Ų11057.6 Ų57.642%0.41531%0.309SS..Hα-helixtrans-62.5-44.8175.9-73-170.4-57.9-884.2112.2T289 S325 R326 S331 K332 V333T289-R329 HydrophobicContact CG2-CB 4.22Å; S325-R329 WeakPolarHBondContact O-CG 3.27Å; S325-R329 PolarHBondContact O-N 3.04Å; S325-R329 VanDerWaalsContact O-N 3.13Å; S325-R329 PolarHBondContact O-NH1 3.39Å; S325-R329 PolarHBondContact OG-NH1 3.49Å; S325-R329 VanDerWaalsContact OG-NH1 3.15Å; R326-R329 PolarHBondContact O-N 2.8Å; R329-S331 VanDerWaalsContact C-N 3.34Å; R329-S331 PolarHBondContact O-N 2.86Å; R329-K332 PolarHBondContact O-N 2.8Å; R329-V333 WeakPolarHBondContact O-CG2 3.23Å; R329-V333 PolarHBondContact O-N 3.43Å
330F98.8Very high98.3Very high0 Ų058.3 Ų58.30%032%0.319CS..Hα-helixtrans-58.7-46.6176.7-166.2-81.7000111.1Y279 M281 N286 G288 H291 A292 L295 L308 R326 I327 K332 V333 L334Y279-F330 HydrophobicContact CD1-CE1 4.4Å; Y279-F330 HydrophobicContact CD1-CZ 4.3Å; Y279-F330 HydrophobicContact CE1-CE1 4.26Å; Y279-F330 HydrophobicContact CE1-CE2 4.35Å; Y279-F330 AromaticContact CE1-CZ 3.73Å; Y279-F330 HydrophobicContact CE1-CZ 3.73Å; Y279-F330 HydrophobicContact CE2-CZ 4.47Å; Y279-F330 AromaticContact CZ-CZ 3.81Å; M281-F330 HydrophobicContact CE-CB 3.77Å; M281-F330 HydrophobicContact CE-CD1 3.83Å; M281-F330 HydrophobicContact CE-CD2 3.87Å; M281-F330 HydrophobicContact CE-CE1 4.35Å; M281-F330 HydrophobicContact CE-CE2 4.4Å; M281-F330 HydrophobicContact CE-CG 3.56Å; M281-F330 HydrophobicContact SD-CD1 4.31Å; M281-F330 HydrophobicContact SD-CE1 4.41Å; N286-F330 WeakPolarHBondContact O-CE2 3.48Å; G288-F330 VanDerWaalsContact O-CD2 3.27Å; G288-F330 WeakPolarHBondContact O-CD2 3.38Å; G288-F330 WeakPolarHBondContact O-CE2 3.36Å; H291-F330 HydrophobicContact CB-CE2 3.94Å; A292-F330 HydrophobicContact CB-CD1 4.14Å; A292-F330 HydrophobicContact CB-CD2 3.69Å; A292-F330 HydrophobicContact CB-CE1 4.18Å; A292-F330 HydrophobicContact CB-CE2 3.73Å; A292-F330 HydrophobicContact CB-CG 3.9Å; A292-F330 HydrophobicContact CB-CZ 3.98Å; L295-F330 HydrophobicContact CD2-CE1 4.05Å; L295-F330 HydrophobicContact CD2-CZ 4.06Å; L308-F330 HydrophobicContact CD1-CD1 3.87Å; L308-F330 HydrophobicContact CD2-CD1 3.92Å; L308-F330 HydrophobicContact CD2-CE1 3.82Å; R326-F330 WeakPolarHBondContact O-CB 3.35Å; R326-F330 PolarHBondContact O-N 2.83Å; I327-F330 PolarHBondContact O-N 2.56Å; F330-K332 PolarHBondContact O-N 3.06Å; F330-V333 PolarHBondContact O-N 3.31Å; F330-L334 HydrophobicContact CD1-CD1 3.8Å; F330-L334 HydrophobicContact CD1-CG 4.31Å; F330-L334 HydrophobicContact CE1-CD1 3.61Å; F330-L334 HydrophobicContact CE1-CG 4.23Å; F330-L334 PolarHBondContact O-N 2.91Å; F330-L334 VanDerWaalsContact O-N 3.14Å
331S98.7Very high98.4Very high12 Ų1257.6 Ų57.68%0.08431%0.308CS..Hα-helixtrans-60.6-45.5176.5-172.10000112.2I327 D328 R329 V333 L334 M335 T341I327-S331 WeakPolarHBondContact O-CB 3.46Å; I327-S331 PolarHBondContact O-N 2.79Å; D328-S331 PolarHBondContact O-N 3.15Å; R329-S331 VanDerWaalsContact C-N 3.34Å; R329-S331 PolarHBondContact O-N 2.86Å; S331-V333 VanDerWaalsContact C-N 3.33Å; S331-V333 PolarHBondContact O-N 3.22Å; S331-L334 PolarHBondContact O-N 3.39Å; S331-M335 VanDerWaalsContact O-CG 3.27Å; S331-M335 WeakPolarHBondContact O-CG 3.37Å; S331-M335 PolarHBondContact O-N 2.88Å; S331-T341 WeakPolarHBondContact OG-CG2 3.35Å
332K98.7Very high98.5Very high123 Ų12357 Ų5754%0.53531%0.311SS..Hα-helixtrans-61.9-38.4179-78.4171.5177.5163.60112.7D328 R329 F330 M335 S336D328-K332 WeakPolarHBondContact O-CB 3.37Å; D328-K332 WeakPolarHBondContact O-CG 3.43Å; D328-K332 PolarHBondContact O-N 3.49Å; D328-K332 VanDerWaalsContact OD1-CE 3.31Å; D328-K332 WeakPolarHBondContact OD1-CE 3.5Å; D328-K332 IonicContact OD1-NZ 2.74Å; D328-K332 PolarHBondContact OD1-NZ 2.79Å; D328-K332 VanDerWaalsContact OD2-CE 3.31Å; D328-K332 WeakPolarHBondContact OD2-CE 3.07Å; D328-K332 IonicContact OD2-NZ 3.42Å; D328-K332 PolarHBondContact OD2-NZ 3.28Å; R329-K332 PolarHBondContact O-N 2.8Å; F330-K332 PolarHBondContact O-N 3.06Å; K332-M335 PolarHBondContact O-N 3.37Å; K332-S336 PolarHBondContact O-N 3.36Å
333V98.8Very high98.5Very high21 Ų2160 Ų6013%0.12733%0.329CS..Hα-helixtrans-61.7-51.3173173.80000110T289 A292 R329 F330 S331 M335 S336 Y337T289-V333 HydrophobicContact CG2-CG2 4.16Å; A292-V333 HydrophobicContact CB-CB 3.76Å; A292-V333 HydrophobicContact CB-CG1 3.6Å; R329-V333 WeakPolarHBondContact O-CG2 3.23Å; R329-V333 PolarHBondContact O-N 3.43Å; F330-V333 PolarHBondContact O-N 3.31Å; S331-V333 VanDerWaalsContact C-N 3.33Å; S331-V333 PolarHBondContact O-N 3.22Å; V333-M335 VanDerWaalsContact C-N 3.29Å; V333-M335 PolarHBondContact O-N 3.24Å; V333-S336 PolarHBondContact O-N 3.23Å; V333-S336 PolarHBondContact O-OG 3.14Å; V333-Y337 HydrophobicContact CG1-CD2 4.5Å; V333-Y337 HydrophobicContact CG1-CE2 4.2Å; V333-Y337 WeakPolarHBondContact O-CD2 3.18Å; V333-Y337 PolarHBondContact O-N 3.44Å
334L98.8Very high98.3Very high0 Ų060 Ų600%032%0.321CS..Hα-helixtrans-59.8-39.3178.7-66.3175000113A292 L295 A296 I306 L308 F330 S331 S336 Y337 F339 T341A292-L334 HydrophobicContact CB-CD2 4.44Å; A292-L334 HydrophobicContact CB-CG 4.41Å; L295-L334 HydrophobicContact CB-CD2 4.32Å; L295-L334 HydrophobicContact CD2-CD1 4.27Å; L295-L334 HydrophobicContact CD2-CD2 4.1Å; L295-L334 HydrophobicContact CG-CD2 4.28Å; A296-L334 HydrophobicContact CB-CD2 4.31Å; I306-L334 HydrophobicContact CB-CD1 4.49Å; I306-L334 HydrophobicContact CD1-CB 4.44Å; I306-L334 HydrophobicContact CD1-CD1 3.81Å; I306-L334 HydrophobicContact CD1-CD2 4.01Å; I306-L334 HydrophobicContact CD1-CG 4.32Å; I306-L334 HydrophobicContact CG2-CD1 3.93Å; L308-L334 HydrophobicContact CD2-CD1 4.09Å; F330-L334 HydrophobicContact CD1-CD1 3.8Å; F330-L334 HydrophobicContact CD1-CG 4.31Å; F330-L334 HydrophobicContact CE1-CD1 3.61Å; F330-L334 HydrophobicContact CE1-CG 4.23Å; F330-L334 PolarHBondContact O-N 2.91Å; F330-L334 VanDerWaalsContact O-N 3.14Å; S331-L334 PolarHBondContact O-N 3.39Å; L334-S336 VanDerWaalsContact C-N 3.3Å; L334-S336 PolarHBondContact O-N 3.04Å; L334-Y337 PolarHBondContact O-N 3.46Å; L334-F339 PolarHBondContact O-N 3Å; L334-T341 HydrophobicContact CB-CG2 4.42Å; L334-T341 WeakPolarHBondContact CB-OG1 3.46Å; L334-T341 HydrophobicContact CD1-CG2 4Å
335M98.5Very high98.1Very high108 Ų10861.2 Ų61.253%0.53232%0.321SS..Hα-helixtrans-65.6-30.7176.8-70.4173.271.900112.6S331 K332 V333 Y337 G338S331-M335 VanDerWaalsContact O-CG 3.27Å; S331-M335 WeakPolarHBondContact O-CG 3.37Å; S331-M335 PolarHBondContact O-N 2.88Å; K332-M335 PolarHBondContact O-N 3.37Å; V333-M335 VanDerWaalsContact C-N 3.29Å; V333-M335 PolarHBondContact O-N 3.24Å; M335-Y337 PolarHBondContact O-N 3.27Å; M335-G338 PolarHBondContact O-N 2.98Å
336S98.6Very high97.9Very high95 Ų9560.1 Ų60.166%0.66431%0.312SS*.Hα-helixtrans-69.1-22.7176.777.10000113.1K332 V333 L334 G338K332-S336 PolarHBondContact O-N 3.36Å; V333-S336 PolarHBondContact O-N 3.23Å; V333-S336 PolarHBondContact O-OG 3.14Å; L334-S336 VanDerWaalsContact C-N 3.3Å; L334-S336 PolarHBondContact O-N 3.04Å; S336-G338 VanDerWaalsContact C-N 3.27Å
337Y98.7Very high97.7Very high115 Ų11559.2 Ų59.245%0.45131%0.309SS..THydrogen-bonded Turntrans-842.6168.7-74-96.8000113.3H293 A296 V333 L334 M335H293-Y337 AromaticContact CE1-CE2 3.92Å; H293-Y337 AromaticContact ND1-CE2 3.43Å; H293-Y337 WeakPolarHBondContact ND1-CE2 3.35Å; H293-Y337 AromaticContact ND1-CZ 3.58Å; H293-Y337 PolarHBondContact ND1-OH 3.38Å; A296-Y337 HydrophobicContact CB-CD1 3.78Å; A296-Y337 HydrophobicContact CB-CD2 3.64Å; A296-Y337 HydrophobicContact CB-CE1 4.08Å; A296-Y337 HydrophobicContact CB-CE2 3.96Å; A296-Y337 HydrophobicContact CB-CG 3.55Å; V333-Y337 HydrophobicContact CG1-CD2 4.5Å; V333-Y337 HydrophobicContact CG1-CE2 4.2Å; V333-Y337 WeakPolarHBondContact O-CD2 3.18Å; V333-Y337 PolarHBondContact O-N 3.44Å; L334-Y337 PolarHBondContact O-N 3.46Å; M335-Y337 PolarHBondContact O-N 3.27Å
338G98.2Very high97.5Very high64 Ų6459 Ų5966%0.6631%0.307SS*.THydrogen-bonded Turntrans85.98.4177.100000115.2M335 S336M335-G338 PolarHBondContact O-N 2.98Å; S336-G338 VanDerWaalsContact C-N 3.27Å
339F98.7Very high97.1Very high34 Ų3458.5 Ų58.515%0.14931%0.305CS..  trans-72140.5175.2-69.1-77.7000111.7A296 L299 I306 L334 T341A296-F339 HydrophobicContact CB-CE2 3.95Å; L299-F339 HydrophobicContact CB-CE1 3.95Å; L299-F339 HydrophobicContact CB-CZ 3.77Å; I306-F339 HydrophobicContact CD1-CB 3.86Å; I306-F339 HydrophobicContact CD1-CD1 3.96Å; I306-F339 HydrophobicContact CD1-CD2 4.28Å; I306-F339 HydrophobicContact CD1-CG 3.77Å; I306-F339 HydrophobicContact CG1-CB 4.49Å; I306-F339 HydrophobicContact CG1-CD1 4.47Å; L334-F339 PolarHBondContact O-N 3Å; F339-T341 PolarHBondContact O-N 3.22Å
340T98.6Very high96.9Very high62 Ų6257.5 Ų57.538%0.3831%0.307SS..EExtended strand (participates in β ladder)trans-74107.7164.4-540000108.3R274 K305 I306R274-T340 PolarHBondContact NH1-OG1 3.09Å; K305-T340 HydrophobicContact CG-CG2 4.41Å; I306-T340 PolarHBondContact N-O 3.23Å
341T98.7Very high96.6Very high17 Ų1758.4 Ų58.410%0.10431%0.312CS..EExtended strand (participates in β ladder)trans-116.3127.9-176.9-51.70000110.6I306 L308 S331 L334 F339I306-T341 HydrophobicContact CB-CG2 4.38Å; I306-T341 HydrophobicContact CG2-CG2 4.42Å; I306-T341 CarbonylContact O-C 3.54Å; I306-T341 WeakPolarHBondContact O-CA 3.48Å; L308-T341 HydrophobicContact CD1-CG2 3.79Å; L308-T341 HydrophobicContact CD2-CG2 4.48Å; L308-T341 HydrophobicContact CG-CG2 3.83Å; S331-T341 WeakPolarHBondContact OG-CG2 3.35Å; L334-T341 HydrophobicContact CB-CG2 4.42Å; L334-T341 WeakPolarHBondContact CB-OG1 3.46Å; L334-T341 HydrophobicContact CD1-CG2 4Å; F339-T341 PolarHBondContact O-N 3.22Å
342I98.2Very high96.4Very high89 Ų8962 Ų6246%0.45633%0.33SS..EExtended strand (participates in β ladder)trans-126.2131.6-179.9-62.9168.7000108.4I306 N307 L308I306-I342 PolarHBondContact O-N 2.83Å; N307-I342 CarbonylContact C-O 3.6Å; N307-I342 WeakPolarHBondContact CA-O 3.38Å; L308-I342 PolarHBondContact N-O 2.75Å
343V97.9Very high96.2Very high64 Ų6456.5 Ų56.539%0.38831%0.308SS..EExtended strand (participates in β ladder)trans-86117.1167.3-176.10000108.1L308 P310 I327 K345L308-V343 HydrophobicContact CB-CG2 4.4Å; L308-V343 HydrophobicContact CD1-CG2 4.41Å; L308-V343 CarbonylContact O-C 3.56Å; L308-V343 WeakPolarHBondContact O-CA 3.38Å; P310-V343 HydrophobicContact CG-CG1 3.82Å; I327-V343 HydrophobicContact CG2-CG1 3.96Å; I327-V343 HydrophobicContact CG2-CG2 3.69Å; V343-K345 PolarHBondContact O-N 2.99Å
344R95.3Very high95.9Very high54 Ų5455.6 Ų55.620%0.20430%0.303CS..PPolyproline II helixtrans-64.8125.5178.8-169.9173.8-176.6163.7-0.7109M176 E278 L308 I309 P310 T346 C355M176-R344 PolarHBondContact SD-NH1 3.3Å; E278-R344 IonicContact OE1-NH1 2.68Å; E278-R344 PolarHBondContact OE1-NH1 2.91Å; L308-R344 PolarHBondContact O-N 3.16Å; I309-R344 HydrophobicContact CG1-CB 4.32Å; P310-R344 WeakPolarHBondContact CD-O 3.49Å; R344-T346 PolarHBondContact O-N 3.01Å; R344-C355 PolarHBondContact NH2-SG 2.86Å
345K93.5Very high95.2Very high141 Ų14157.6 Ų57.661%0.61332%0.316SS*.PPolyproline II helixtrans-61.7127.2171.7-173.1177.2175.7-174.20108.7V343 R347V343-K345 PolarHBondContact O-N 2.99Å; K345-R347 PolarHBondContact O-N 3.29Å
346T93.7Very high94.5Very high36 Ų3653.6 Ų53.622%0.22130%0.303CS..PPolyproline II helixtrans-64.5129.7169.7-59.50000108.5N312 R344 D349 A354N312-T346 WeakPolarHBondContact OD1-CG2 3.48Å; R344-T346 PolarHBondContact O-N 3.01Å; T346-D349 HydrophobicContact CG2-CB 3.66Å; T346-A354 HydrophobicContact CG2-CB 4.22Å
347R94Very high94.2Very high21 Ų2149.4 Ų49.48%0.07927%0.273CS..  trans-131.9134.4-178-64.1-61.7-58.8-85.7-2.7110.1D90 I109 P110 E111 K345 D349 A354D90-R347 VanDerWaalsContact CG-NE 3.31Å; D90-R347 PolarHBondContact O-NH2 3.43Å; D90-R347 IonicContact OD1-NE 2.69Å; D90-R347 IonicContact OD1-NH2 2.74Å; D90-R347 WeakPolarHBondContact OD2-CA 3.42Å; D90-R347 WeakPolarHBondContact OD2-CD 3.45Å; D90-R347 IonicContact OD2-CZ 2.73Å; D90-R347 IonicContact OD2-NE 4Å; D90-R347 PolarHBondContact OD2-NE 3.39Å; I109-R347 HydrophobicContact CG2-CB 4.18Å; I109-R347 HydrophobicContact CG2-CG 3.95Å; P110-R347 VanDerWaalsContact O-CZ 3.29Å; P110-R347 PolarHBondContact O-NH1 3.45Å; P110-R347 PolarHBondContact O-NH2 2.9Å; E111-R347 IonicContact OE2-NH1 3.42Å; E111-R347 PolarHBondContact OE2-NH1 3.39Å; K345-R347 PolarHBondContact O-N 3.29Å; R347-D349 VanDerWaalsContact C-N 3.34Å; R347-D349 PolarHBondContact O-N 3.37Å; R347-A354 VanDerWaalsContact O-CA 3.31Å; R347-A354 WeakPolarHBondContact O-CA 3.4Å; R347-A354 WeakPolarHBondContact O-CB 3.43Å
348G93.8Very high93.8Very high0 Ų044.2 Ų44.20%025%0.253CS..SBendtrans65.226.1177.100000116.2D90 D350 I351 D352 A353D90-G348 PolarHBondContact OD2-N 2.78Å; G348-D350 VanDerWaalsContact C-N 3.33Å; G348-I351 VanDerWaalsContact O-CG1 3.24Å; G348-I351 WeakPolarHBondContact O-CG1 3.33Å; G348-I351 PolarHBondContact O-N 3.33Å; G348-D352 PolarHBondContact O-N 3.44Å; G348-A353 WeakPolarHBondContact O-CA 3.41Å; G348-A353 WeakPolarHBondContact O-CB 3.35Å; G348-A353 PolarHBondContact O-N 3.14Å
349D91.6Very high93.5Very high62 Ų6242.4 Ų42.433%0.33223%0.231SC..G310 helixtrans-67.1-32.6179.4-172.548.3000112.6T346 R347 I351 D352 A354 Q357T346-D349 HydrophobicContact CG2-CB 3.66Å; R347-D349 VanDerWaalsContact C-N 3.34Å; R347-D349 PolarHBondContact O-N 3.37Å; D349-I351 PolarHBondContact O-N 2.92Å; D349-I351 VanDerWaalsContact O-N 3.13Å; D349-D352 PolarHBondContact O-N 3.2Å; D349-D352 VanDerWaalsContact O-N 3.15Å; D349-A354 HydrophobicContact CB-CB 4.35Å; D349-Q357 PolarHBondContact OD1-NE2 3.42Å; D349-Q357 PolarHBondContact OD1-OE1 3.15Å
350D93.4Very high92.9Very high89 Ų8941.9 Ų41.948%0.47624%0.235SC..G310 helixtrans-64.4-13.8176.158.2-22.2000114.1S88 S89 G348S88-D350 WeakPolarHBondContact CB-OD1 3.36Å; S88-D350 VanDerWaalsContact OG-CG 3.25Å; S88-D350 PolarHBondContact OG-OD1 3.15Å; S88-D350 PolarHBondContact OG-OD2 2.95Å; S89-D350 PolarHBondContact N-OD2 3.43Å; S89-D350 PolarHBondContact OG-OD2 3.13Å; G348-D350 VanDerWaalsContact C-N 3.33Å
351I93.6Very high92.5Very high20 Ų2041.5 Ų41.510%0.10323%0.231CC..G310 helixtrans-123.320.1177.460.7164.8000111.9Q86 T92 K94 G348 D349 A353Q86-I351 HydrophobicContact CB-CB 4.17Å; Q86-I351 HydrophobicContact CB-CD1 4.25Å; Q86-I351 HydrophobicContact CB-CG2 4.24Å; Q86-I351 PolarHBondContact OE1-O 3.32Å; T92-I351 HydrophobicContact CG2-CD1 4.49Å; K94-I351 HydrophobicContact CB-CD1 3.86Å; K94-I351 WeakPolarHBondContact CE-O 3.21Å; K94-I351 PolarHBondContact NZ-O 3.42Å; G348-I351 VanDerWaalsContact O-CG1 3.24Å; G348-I351 WeakPolarHBondContact O-CG1 3.33Å; G348-I351 PolarHBondContact O-N 3.33Å; D349-I351 PolarHBondContact O-N 2.92Å; D349-I351 VanDerWaalsContact O-N 3.13Å; I351-A353 HydrophobicContact CD1-CB 3.83Å; I351-A353 HydrophobicContact CG1-CB 3.7Å; I351-A353 PolarHBondContact O-N 3.19Å
352D93.6Very high91.8Very high86 Ų8641.6 Ų41.646%0.4623%0.232SC..THydrogen-bonded Turntrans51.540.7-177.5-61.7-59.4000113K94 G348 D349 Q357K94-D352 PolarHBondContact NZ-O 2.54Å; G348-D352 PolarHBondContact O-N 3.44Å; D349-D352 PolarHBondContact O-N 3.2Å; D349-D352 VanDerWaalsContact O-N 3.15Å; D352-Q357 HydrophobicContact CB-CB 4.29Å
353A93.9Very high91.2Very high8 Ų841.3 Ų41.37%0.06623%0.23CC..  trans-111-0.4-178.900000113.1T92 K94 V107 G348 I351T92-A353 HydrophobicContact CG2-CB 4.29Å; K94-A353 HydrophobicContact CB-CB 3.88Å; K94-A353 HydrophobicContact CD-CB 3.82Å; K94-A353 HydrophobicContact CG-CB 4.28Å; V107-A353 HydrophobicContact CG1-CB 3.95Å; V107-A353 HydrophobicContact CG2-CB 4.02Å; G348-A353 WeakPolarHBondContact O-CA 3.41Å; G348-A353 WeakPolarHBondContact O-CB 3.35Å; G348-A353 PolarHBondContact O-N 3.14Å; I351-A353 HydrophobicContact CD1-CB 3.83Å; I351-A353 HydrophobicContact CG1-CB 3.7Å; I351-A353 PolarHBondContact O-N 3.19Å
354A92Very high90.5Very high3 Ų339.6 Ų39.63%0.02522%0.219CC..SBendtrans-70.1163.117700000110.9N312 T346 R347 D349 G356 Q357N312-A354 HydrophobicContact CB-CB 3.96Å; N312-A354 VanDerWaalsContact CG-CB 3.42Å; N312-A354 WeakPolarHBondContact ND2-CB 3.17Å; T346-A354 HydrophobicContact CG2-CB 4.22Å; R347-A354 VanDerWaalsContact O-CA 3.31Å; R347-A354 WeakPolarHBondContact O-CA 3.4Å; R347-A354 WeakPolarHBondContact O-CB 3.43Å; D349-A354 HydrophobicContact CB-CB 4.35Å; A354-G356 PolarHBondContact O-N 2.94Å; A354-G356 VanDerWaalsContact O-N 3.16Å; A354-Q357 PolarHBondContact O-N 3.24Å
355C85.7Confident89.9Confident41 Ų4145.7 Ų45.728%0.27724%0.242SC..THydrogen-bonded Turntrans-56.7124.7-177.5-62.90000110.8N312 R344N312-C355 PolarHBondContact ND2-O 3.18Å; R344-C355 PolarHBondContact NH2-SG 2.86Å
356G82.5Confident89.3Confident24 Ų2441 Ų4125%0.24723%0.225CC..THydrogen-bonded Turntrans92.6-6.7-179.500000115.6S133 A354S133-G356 WeakPolarHBondContact CA-O 3.43Å; S133-G356 WeakPolarHBondContact CB-O 3.27Å; S133-G356 PolarHBondContact N-O 3.16Å; A354-G356 PolarHBondContact O-N 2.94Å; A354-G356 VanDerWaalsContact O-N 3.16Å
357Q92.7Very high88.5Confident8 Ų846 Ų464%0.03724%0.244CC..  trans-91-14.9-179.4-75.1172.7-35.500114.5S133 N312 P313 D349 D352 A354 A359S133-Q357 WeakPolarHBondContact CB-O 3.42Å; S133-Q357 PolarHBondContact OG-O 3.46Å; N312-Q357 HydrophobicContact CB-CG 3.97Å; P313-Q357 WeakPolarHBondContact O-CG 3.35Å; P313-Q357 PolarHBondContact O-NE2 3.19Å; D349-Q357 PolarHBondContact OD1-NE2 3.42Å; D349-Q357 PolarHBondContact OD1-OE1 3.15Å; D352-Q357 HydrophobicContact CB-CB 4.29Å; A354-Q357 PolarHBondContact O-N 3.24Å; Q357-A359 PolarHBondContact O-N 3.35Å; Q357-A359 VanDerWaalsContact O-N 3.11Å
358L91.1Very high87.9Confident6 Ų645.7 Ų45.73%0.03124%0.243CC..  trans-64.4113-173.7-49.1-178000112.2K94 E105 V107 T134 M178K94-L358 HydrophobicContact CD-CD2 4.09Å; E105-L358 HydrophobicContact CB-CB 4.3Å; E105-L358 HydrophobicContact CB-CD1 4.35Å; E105-L358 HydrophobicContact CB-CD2 4.18Å; E105-L358 HydrophobicContact CB-CG 4.49Å; E105-L358 WeakPolarHBondContact OE2-CA 3.21Å; E105-L358 VanDerWaalsContact OE2-CB 3.26Å; E105-L358 WeakPolarHBondContact OE2-CB 3.38Å; E105-L358 WeakPolarHBondContact OE2-CD2 3.48Å; V107-L358 HydrophobicContact CG2-CD1 4.32Å; V107-L358 HydrophobicContact CG2-CD2 3.65Å; T134-L358 WeakPolarHBondContact CA-O 3.38Å; T134-L358 PolarHBondContact N-O 3.39Å; T134-L358 PolarHBondContact OG1-O 2.98Å; M178-L358 HydrophobicContact CG-CB 3.79Å; M178-L358 HydrophobicContact CG-CD1 4.42Å; M178-L358 HydrophobicContact SD-CB 4.41Å
359A90.3Very high86.8Confident25 Ų2547 Ų4721%0.20725%0.251CS..  trans-102.9-37.2-178.300000111.8Q137 M178 Q357Q137-A359 HydrophobicContact CG-CB 4.25Å; Q137-A359 WeakPolarHBondContact CG-O 3.43Å; M178-A359 WeakPolarHBondContact CE-O 3.38Å; Q357-A359 PolarHBondContact O-N 3.35Å; Q357-A359 VanDerWaalsContact O-N 3.11Å
360G87.9Confident86Confident23 Ų2348.7 Ų48.724%0.23726%0.259CS..  trans57.2-149.1-173.300000112.4R103 E105R103-G360 WeakPolarHBondContact O-CA 3.37Å; E105-G360 WeakPolarHBondContact OE1-CA 3.48Å; E105-G360 PolarHBondContact OE1-N 3.04Å
361D89.8Confident85.3Confident55 Ų5550 Ų5029%0.29426%0.257SS..BIsolated β-bridgetrans-137.8107.5173.1-171.7-11.3000108Q102 R103Q102-D361 CarbonylContact C-O 3.57Å; Q102-D361 WeakPolarHBondContact CA-O 3.44Å; Q102-D361 VanDerWaalsContact CB-O 3.25Å; Q102-D361 WeakPolarHBondContact CB-O 3.46Å; R103-D361 HydrophobicContact CB-CB 3.77Å; R103-D361 HydrophobicContact CG-CB 3.88Å; R103-D361 PolarHBondContact N-O 3.29Å; R103-D361 PolarHBondContact O-N 3.49Å
362V83.4Confident84.2Confident18 Ų1851.1 Ų51.111%0.10926%0.262CS..  trans-125.1125.3-165.4-179.70000110.4V123 Q137 N140 M178 D364V123-V362 HydrophobicContact CG1-CG1 4.22Å; V123-V362 HydrophobicContact CG1-CG2 4.08Å; Q137-V362 HydrophobicContact CB-CB 4.04Å; Q137-V362 HydrophobicContact CB-CG2 4.05Å; N140-V362 HydrophobicContact CB-CG1 4.33Å; M178-V362 HydrophobicContact CE-CG2 3.85Å; V362-D364 PolarHBondContact O-N 2.92Å
363I85.9Confident82.9Confident83 Ų8353.9 Ų53.943%0.42627%0.266SS..  trans-85.897.4170.7-60.3170.3000107.6D101 Q102 N140 R365D101-I363 HydrophobicContact CB-CD1 4.46Å; D101-I363 WeakPolarHBondContact OD2-CD1 3.26Å; Q102-I363 HydrophobicContact CG-CB 4.26Å; Q102-I363 HydrophobicContact CG-CD1 3.95Å; Q102-I363 HydrophobicContact CG-CG1 3.84Å; N140-I363 WeakPolarHBondContact CB-O 3.31Å; N140-I363 PolarHBondContact ND2-O 2.85Å; I363-R365 PolarHBondContact O-N 2.9Å
364D82.9Confident81.7Confident28 Ų2861.5 Ų61.515%0.1530%0.302CS..  trans-65.2115.2-176.4-179.129.1000113G138 F139 V362 T366 K367 R368 T369G138-D364 WeakPolarHBondContact CA-OD1 3.31Å; F139-D364 PolarHBondContact N-OD1 3.39Å; F139-D364 VanDerWaalsContact N-OD1 3.1Å; V362-D364 PolarHBondContact O-N 2.92Å; D364-T366 WeakPolarHBondContact OD1-CB 3.06Å; D364-T366 PolarHBondContact OD1-N 3.3Å; D364-T366 PolarHBondContact OD1-OG1 3.37Å; D364-T366 PolarHBondContact OD2-OG1 3.37Å; D364-K367 PolarHBondContact OD2-N 3.36Å; D364-R368 WeakPolarHBondContact OD2-CA 3.37Å; D364-R368 WeakPolarHBondContact OD2-CB 3.41Å; D364-R368 PolarHBondContact OD2-N 3.26Å; D364-T369 PolarHBondContact OD2-N 3.47Å; D364-T369 PolarHBondContact OD2-OG1 3.37Å
365R82.9Confident80.6Confident182 Ų18268.2 Ų68.269%0.68733%0.332SS*.SBendtrans-89.3-8.9175.1-68.7-179.565.6-1542.6113.4F139 N140 I363 K367F139-R365 PolarHBondContact O-N 2.9Å; N140-R365 PolarHBondContact O-NH1 3.4Å; I363-R365 PolarHBondContact O-N 2.9Å; R365-K367 VanDerWaalsContact C-N 3.34Å
366T79.7Confident79.1Confident42 Ų4269.6 Ų69.626%0.25835%0.354SS..SBendtrans-90.30.9-177.470.90000113.7F139 D364 R368 R371F139-T366 HydrophobicContact CB-CG2 3.87Å; F139-T366 HydrophobicContact CD1-CG2 4.25Å; D364-T366 WeakPolarHBondContact OD1-CB 3.06Å; D364-T366 PolarHBondContact OD1-N 3.3Å; D364-T366 PolarHBondContact OD1-OG1 3.37Å; D364-T366 PolarHBondContact OD2-OG1 3.37Å; T366-R368 PolarHBondContact O-N 3.09Å; T366-R368 VanDerWaalsContact O-N 3.13Å; T366-R371 PolarHBondContact O-NH2 3.21Å
367K78.7Confident77.8Confident142 Ų14272.8 Ų72.862%0.61736%0.362SS*.  trans54.427.5-177.1-54.6-176.6-179.6-179.90112.4D364 R365 L370 R371D364-K367 PolarHBondContact OD2-N 3.36Å; R365-K367 VanDerWaalsContact C-N 3.34Å; K367-L370 HydrophobicContact CB-CB 4.25Å; K367-L370 HydrophobicContact CB-CD1 4.05Å; K367-L370 HydrophobicContact CD-CD1 4.35Å; K367-L370 HydrophobicContact CG-CD1 4.09Å; K367-L370 PolarHBondContact O-N 3.41Å; K367-R371 WeakPolarHBondContact O-CG 3.17Å; K367-R371 PolarHBondContact O-N 3.4Å
368R80.6Confident75.8Confident15 Ų1577.4 Ų77.46%0.05740%0.402CS..Hα-helixtrans-66.6-43.2179.2-174179.4-79.514916.4110.4C125 A126 E128 A135 D364 T366 L370 R371 K372C125-R368 PolarHBondContact O-NH1 2.68Å; A126-R368 PolarHBondContact O-NH2 2.9Å; A126-R368 VanDerWaalsContact O-NH2 3.17Å; E128-R368 IonicContact OE1-CZ 3.61Å; E128-R368 IonicContact OE1-NE 3.4Å; E128-R368 PolarHBondContact OE1-NE 2.84Å; E128-R368 VanDerWaalsContact OE1-NE 3.13Å; E128-R368 IonicContact OE1-NH2 3.01Å; E128-R368 PolarHBondContact OE1-NH2 3.33Å; A135-R368 PolarHBondContact O-NH1 3.21Å; D364-R368 WeakPolarHBondContact OD2-CA 3.37Å; D364-R368 WeakPolarHBondContact OD2-CB 3.41Å; D364-R368 PolarHBondContact OD2-N 3.26Å; T366-R368 PolarHBondContact O-N 3.09Å; T366-R368 VanDerWaalsContact O-N 3.13Å; R368-L370 VanDerWaalsContact C-N 3.28Å; R368-L370 PolarHBondContact O-N 3.1Å; R368-R371 PolarHBondContact O-N 3.49Å; R368-K372 PolarHBondContact O-N 2.87Å
369T70.9Confident74Confident28 Ų2879.3 Ų79.317%0.17241%0.412CS..Hα-helixtrans-59.7-37.8173.829.20000112.4D364 R373 I379 I381D364-T369 PolarHBondContact OD2-N 3.47Å; D364-T369 PolarHBondContact OD2-OG1 3.37Å; T369-R373 WeakPolarHBondContact O-CB 3.33Å; T369-R373 WeakPolarHBondContact O-CG 3.33Å; T369-R373 PolarHBondContact O-N 3.07Å; T369-R373 VanDerWaalsContact O-N 3.09Å; T369-I379 HydrophobicContact CG2-CD1 3.9Å; T369-I379 HydrophobicContact CG2-CG2 4.43Å; T369-I381 HydrophobicContact CG2-CD1 3.33Å; T369-I381 HydrophobicContact CG2-CG1 4.11Å
370L74.9Confident72Confident97 Ų9785.8 Ų85.851%0.50844%0.443SS..Hα-helixtrans-67.5-47.2172.5-70.3169.5000112.2K367 R368 K372 R373 M374K367-L370 HydrophobicContact CB-CB 4.25Å; K367-L370 HydrophobicContact CB-CD1 4.05Å; K367-L370 HydrophobicContact CD-CD1 4.35Å; K367-L370 HydrophobicContact CG-CD1 4.09Å; K367-L370 PolarHBondContact O-N 3.41Å; R368-L370 VanDerWaalsContact C-N 3.28Å; R368-L370 PolarHBondContact O-N 3.1Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 2.74Å; L370-R373 PolarHBondContact O-N 2.59Å; L370-M374 WeakPolarHBondContact O-CG 3.14Å; L370-M374 PolarHBondContact O-N 2.86Å
371R78.5Confident70.1Confident115 Ų11588 Ų8843%0.43445%0.448SS..Hα-helixtrans-57.7-42.8178-78.6-175.9-80.2158.3-3.1112.1T366 K367 R368 M374 Q375T366-R371 PolarHBondContact O-NH2 3.21Å; K367-R371 WeakPolarHBondContact O-CG 3.17Å; K367-R371 PolarHBondContact O-N 3.4Å; R368-R371 PolarHBondContact O-N 3.49Å; R371-M374 PolarHBondContact O-N 3.45Å; R371-Q375 WeakPolarHBondContact O-CG 3.45Å; R371-Q375 PolarHBondContact O-N 3.08Å
372K69.8Low67.5Low45 Ų4594.9 Ų94.920%0.19648%0.476CS..Hα-helixtrans-67.6-42176.6-80.5-168.3164.4-146.20113.5R368 L370 M374 Q375 G376 E377 I379R368-K372 PolarHBondContact O-N 2.87Å; L370-K372 VanDerWaalsContact C-N 3.32Å; L370-K372 PolarHBondContact O-N 2.74Å; K372-M374 VanDerWaalsContact C-N 3.26Å; K372-M374 PolarHBondContact O-N 2.93Å; K372-Q375 CarbonylContact O-C 3.1Å; K372-Q375 WeakPolarHBondContact O-CA 3.44Å; K372-Q375 PolarHBondContact O-N 3.13Å; K372-G376 PolarHBondContact O-N 3.42Å; K372-G376 VanDerWaalsContact O-N 3.16Å; K372-E377 HydrophobicContact CB-CB 4.35Å; K372-E377 VanDerWaalsContact CD-OE2 3.23Å; K372-E377 WeakPolarHBondContact CD-OE2 3.34Å; K372-E377 WeakPolarHBondContact CE-OE2 3.32Å; K372-E377 WeakPolarHBondContact CG-OE2 3.45Å; K372-E377 IonicContact NZ-OE2 3.21Å; K372-E377 PolarHBondContact NZ-OE2 2.69Å; K372-E377 PolarHBondContact O-N 3.48Å; K372-I379 HydrophobicContact CB-CD1 3.53Å; K372-I379 HydrophobicContact CB-CG1 4.36Å; K372-I379 HydrophobicContact CD-CD1 3.65Å; K372-I379 HydrophobicContact CD-CG1 4.3Å; K372-I379 HydrophobicContact CG-CD1 4.22Å
373R66.2Low65.1Low144 Ų14498.7 Ų98.754%0.54351%0.509SS..Hα-helixtrans-59.3-38.2173.1-79.2-179.5179.1-178.2-0.6111.8T369 L370 Q375 G376T369-R373 WeakPolarHBondContact O-CB 3.33Å; T369-R373 WeakPolarHBondContact O-CG 3.33Å; T369-R373 PolarHBondContact O-N 3.07Å; T369-R373 VanDerWaalsContact O-N 3.09Å; L370-R373 PolarHBondContact O-N 2.59Å; R373-Q375 PolarHBondContact O-N 3.29Å; R373-G376 PolarHBondContact O-N 3.45Å
374M69.1Low62.7Low167 Ų167103.7 Ų103.782%0.82354%0.543SS*.Hα-helixtrans-67.5-22.7174.5-68.3-179.772.100113.3L370 R371 K372L370-M374 WeakPolarHBondContact O-CG 3.14Å; L370-M374 PolarHBondContact O-N 2.86Å; R371-M374 PolarHBondContact O-N 3.45Å; K372-M374 VanDerWaalsContact C-N 3.26Å; K372-M374 PolarHBondContact O-N 2.93Å
375Q69.4Low61.7Low144 Ų144107.5 Ų107.567%0.67356%0.562SS**THydrogen-bonded Turntrans-93.6-1178.2-69.8171.1-14.100113.3R371 K372 R373R371-Q375 WeakPolarHBondContact O-CG 3.45Å; R371-Q375 PolarHBondContact O-N 3.08Å; K372-Q375 CarbonylContact O-C 3.1Å; K372-Q375 WeakPolarHBondContact O-CA 3.44Å; K372-Q375 PolarHBondContact O-N 3.13Å; R373-Q375 PolarHBondContact O-N 3.29Å
376G53.3Low60.5Low70 Ų70103.5 Ų103.572%0.72256%0.556SS**THydrogen-bonded Turntrans81.413.2177.600000115.3K372 R373K372-G376 PolarHBondContact O-N 3.42Å; K372-G376 VanDerWaalsContact O-N 3.16Å; R373-G376 PolarHBondContact O-N 3.45Å
377E56.8Low59.5Low92 Ų92106.9 Ų106.943%0.4357%0.572SS.*  trans-79.1127.6173.9-66.7-175.2-178.500110.6K372 I379K372-E377 HydrophobicContact CB-CB 4.35Å; K372-E377 VanDerWaalsContact CD-OE2 3.23Å; K372-E377 WeakPolarHBondContact CD-OE2 3.34Å; K372-E377 WeakPolarHBondContact CE-OE2 3.32Å; K372-E377 WeakPolarHBondContact CG-OE2 3.45Å; K372-E377 IonicContact NZ-OE2 3.21Å; K372-E377 PolarHBondContact NZ-OE2 2.69Å; K372-E377 PolarHBondContact O-N 3.48Å; E377-I379 PolarHBondContact O-N 3.22Å
378A48.9Very low58.4Low105 Ų105104.9 Ų104.987%0.86857%0.57SS**  trans-66.3123.8174.600000110.3
379I54.9Low57Low46 Ų46110.5 Ų110.524%0.23660%0.602CS.*  trans-125.9121.8170.5-50.5178000108.2T369 K372 E377 I381T369-I379 HydrophobicContact CG2-CD1 3.9Å; T369-I379 HydrophobicContact CG2-CG2 4.43Å; K372-I379 HydrophobicContact CB-CD1 3.53Å; K372-I379 HydrophobicContact CB-CG1 4.36Å; K372-I379 HydrophobicContact CD-CD1 3.65Å; K372-I379 HydrophobicContact CD-CG1 4.3Å; K372-I379 HydrophobicContact CG-CD1 4.22Å; E377-I379 PolarHBondContact O-N 3.22Å; I379-I381 HydrophobicContact CB-CG1 4.19Å; I379-I381 HydrophobicContact CG2-CD1 4.19Å; I379-I381 HydrophobicContact CG2-CG1 3.48Å; I379-I381 VanDerWaalsContact CG2-CG1 3.48Å; I379-I381 PolarHBondContact O-N 3.17Å
380D46.7Very low56Low161 Ų161116 Ų11686%0.86163%0.63SS**  trans-81.897.7167.5-151.5-0.3000108.1
381I49.6Very low54.7Low69 Ų69117.4 Ų117.435%0.35464%0.639SS.*  trans-103.8117.5171.5-50.4176.3000105.5T369 I379 A383T369-I381 HydrophobicContact CG2-CD1 3.33Å; T369-I381 HydrophobicContact CG2-CG1 4.11Å; I379-I381 HydrophobicContact CB-CG1 4.19Å; I379-I381 HydrophobicContact CG2-CD1 4.19Å; I379-I381 HydrophobicContact CG2-CG1 3.48Å; I379-I381 VanDerWaalsContact CG2-CG1 3.48Å; I379-I381 PolarHBondContact O-N 3.17Å; I381-A383 PolarHBondContact O-N 3.15Å
382K35.1Very low52.9Low200 Ų200117.5 Ų117.587%0.8766%0.655SS**  trans-61.8107.8162.4-80-175.6178.1175.60107.3V384K382-V384 PolarHBondContact O-N 3.2Å
383A32.9Very low51.4Low97 Ų97123.6 Ų123.680%0.80269%0.693SS**  trans-64.1126.9167.600000108I381I381-A383 PolarHBondContact O-N 3.15Å
384V34.5Very low50.1Low188 Ų188121.7 Ų121.7100%1.13971%0.707SS**  trans-74.70160.8-179.60000108.5K382K382-V384 PolarHBondContact O-N 3.2Å

Retrieved 384 of 384 residues in 378.4 ms (Link to these results)

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