A0A087X255_HUMAN Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087X255, Species HUMAN (Homo sapiens, Human), Gene MID1, Length 540 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
1M47.4Very low74.8Confident181 Ų18187.5 Ų87.589%0.89246%0.464SS*.  0-32.90-152.9171.5-82.300110.7T3 L4M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 2.61Å; M1-L4 PolarHBondContact O-N 3.15Å
2E44.7Very low76.2Confident171 Ų17186.2 Ų86.280%0.79946%0.455SS*.Hα-helixtrans-55.4-28176.4-65.2174.2169.900115.8
3T57.3Low77.3Confident108 Ų10883.7 Ų83.766%0.66345%0.448SS*.Hα-helixtrans-71.5-35.9-17956.30000113M1 S6M1-T3 VanDerWaalsContact C-N 3.26Å; M1-T3 PolarHBondContact O-N 2.61Å; T3-S6 PolarHBondContact O-OG 2.83Å
4L72.3Confident78.1Confident82 Ų8286.8 Ų86.843%0.42946%0.464SS..Hα-helixtrans-79.2-35.4-177.2-173.468000111.8M1 S6 E7 L8 F86M1-L4 PolarHBondContact O-N 3.15Å; L4-S6 VanDerWaalsContact C-N 3.3Å; L4-S6 PolarHBondContact O-N 3.47Å; L4-E7 PolarHBondContact O-N 3.39Å; L4-E7 VanDerWaalsContact O-N 3.16Å; L4-L8 HydrophobicContact CG-CD1 4.42Å; L4-L8 WeakPolarHBondContact O-CG 3.3Å; L4-L8 PolarHBondContact O-N 3.44Å; L4-F86 HydrophobicContact CD2-CD2 4.12Å; L4-F86 HydrophobicContact CD2-CE2 4.35Å
5E77.9Confident79Confident92 Ų9289.9 Ų89.943%0.4348%0.475SS..Hα-helixtrans-60.4-42.4176.9-169.7169.6-172.600111E7 L8 T9 L16 F86E5-E7 VanDerWaalsContact C-N 3.25Å; E5-E7 PolarHBondContact O-N 3.02Å; E5-L8 CarbonylContact O-C 3.5Å; E5-L8 PolarHBondContact O-N 2.59Å; E5-T9 WeakPolarHBondContact O-CG2 3.14Å; E5-T9 PolarHBondContact O-N 2.94Å; E5-L16 HydrophobicContact CG-CD2 4.42Å; E5-F86 HydrophobicContact CB-CE1 4.49Å; E5-F86 HydrophobicContact CB-CZ 3.92Å; E5-F86 HydrophobicContact CG-CE1 4.23Å; E5-F86 HydrophobicContact CG-CZ 4.1Å
6S76.3Confident79.7Confident74 Ų7486.7 Ų86.752%0.51746%0.458SS..Hα-helixtrans-59.4-32.8176.176.10000113.6T3 L4 L8 T9T3-S6 PolarHBondContact O-OG 2.83Å; L4-S6 VanDerWaalsContact C-N 3.3Å; L4-S6 PolarHBondContact O-N 3.47Å; S6-L8 VanDerWaalsContact C-N 3.32Å; S6-T9 PolarHBondContact O-OG1 2.82Å
7E83.6Confident80.5Confident142 Ų14282.6 Ų82.666%0.66444%0.435SS*.Hα-helixtrans-77.8-16.8177.4-65.8179.4-170.500113.1L4 E5L4-E7 PolarHBondContact O-N 3.39Å; L4-E7 VanDerWaalsContact O-N 3.16Å; E5-E7 VanDerWaalsContact C-N 3.25Å; E5-E7 PolarHBondContact O-N 3.02Å
8L90.4Very high81Confident9 Ų985.7 Ų85.75%0.04745%0.447CS..THydrogen-bonded Turntrans-102.15178-60.3178.9000112.9L4 E5 S6 L16 F17 L79 I82 I83 F86L4-L8 HydrophobicContact CG-CD1 4.42Å; L4-L8 WeakPolarHBondContact O-CG 3.3Å; L4-L8 PolarHBondContact O-N 3.44Å; E5-L8 CarbonylContact O-C 3.5Å; E5-L8 PolarHBondContact O-N 2.59Å; S6-L8 VanDerWaalsContact C-N 3.32Å; L8-L16 HydrophobicContact CB-CD2 3.7Å; L8-L16 WeakPolarHBondContact O-CA 3.48Å; L8-F17 WeakPolarHBondContact O-CD2 3.2Å; L8-F17 PolarHBondContact O-N 3.23Å; L8-F17 VanDerWaalsContact O-N 3.15Å; L8-L79 HydrophobicContact CD2-CD1 3.77Å; L8-I82 HydrophobicContact CD1-CG2 4.1Å; L8-I82 HydrophobicContact CD2-CG2 3.73Å; L8-I83 HydrophobicContact CB-CG1 4.3Å; L8-I83 HydrophobicContact CD1-CG1 4.47Å; L8-I83 HydrophobicContact CD2-CG1 4.31Å; L8-F86 HydrophobicContact CD1-CB 3.99Å; L8-F86 HydrophobicContact CD1-CD1 4.31Å; L8-F86 HydrophobicContact CD1-CD2 4.22Å; L8-F86 HydrophobicContact CD1-CG 3.92Å
9T90.4Very high81.5Confident41 Ų4184.6 Ų84.625%0.25244%0.441SS..BIsolated β-bridgetrans-92.4140.6178.1620000112.5E5 S6 E15 F17E5-T9 WeakPolarHBondContact O-CG2 3.14Å; E5-T9 PolarHBondContact O-N 2.94Å; S6-T9 PolarHBondContact O-OG1 2.82Å; T9-E15 CarbonylContact C-O 3.57Å; T9-E15 VanDerWaalsContact CA-O 3.3Å; T9-E15 WeakPolarHBondContact CA-O 3.42Å; T9-F17 VanDerWaalsContact C-CE2 3.49Å; T9-F17 VanDerWaalsContact O-CE2 3.23Å; T9-F17 WeakPolarHBondContact O-CE2 3.44Å; T9-F17 WeakPolarHBondContact O-CZ 3.42Å
10C93.2Very high82.1Confident0 Ų080.5 Ų80.50%042%0.42CS..  trans-73.6130.7173.81760000110.2I12 C13 L14 E15 F17 C30C10-I12 PolarHBondContact O-N 2.64Å; C10-C13 WeakPolarHBondContact CB-SG 3.49Å; C10-L14 VanDerWaalsContact O-CA 3.22Å; C10-L14 WeakPolarHBondContact O-CA 3.46Å; C10-L14 PolarHBondContact O-N 3.04Å; C10-E15 PolarHBondContact N-O 2.77Å; C10-F17 HydrophobicContact CB-CD1 3.67Å; C10-F17 HydrophobicContact CB-CE1 3.66Å; C10-F17 HydrophobicContact CB-CG 4.19Å; C10-F17 HydrophobicContact CB-CZ 4.19Å; C10-C30 VanDerWaalsContact CB-SG 3.52Å
11P89.8Confident82.6Confident63 Ų6376.6 Ų76.641%0.40940%0.4SS..THydrogen-bonded Turntrans-68.8-4.5-177.128.9-36.6000114.2L29P11-L29 HydrophobicContact CG-CD2 3.86Å
12I91.1Very high84.8Confident71 Ų7171.2 Ų71.236%0.36437%0.374SS..THydrogen-bonded Turntrans-104.4-54.4-178.4-59.7-58.6000111.9C10 L29 C33 I37 P57C10-I12 PolarHBondContact O-N 2.64Å; I12-L29 HydrophobicContact CG1-CD2 3.77Å; I12-C33 HydrophobicContact CB-CB 3.85Å; I12-C33 HydrophobicContact CG1-CB 4.29Å; I12-C33 HydrophobicContact CG2-CB 3.81Å; I12-I37 HydrophobicContact CD1-CD1 4.08Å; I12-I37 HydrophobicContact CG1-CD1 4.09Å; I12-P57 HydrophobicContact CD1-CB 3.64Å; I12-P57 HydrophobicContact CD1-CG 3.7Å; I12-P57 HydrophobicContact CG1-CG 4.04Å
13C90.7Very high87Confident54 Ų5463.2 Ų63.237%0.36534%0.337SS..THydrogen-bonded Turntrans-88-12.8178.458.70000113.3C10 E15C10-C13 WeakPolarHBondContact CB-SG 3.49Å; C13-E15 PolarHBondContact O-N 2.84Å; C13-E15 VanDerWaalsContact O-N 3.1Å
14L88.8Confident88.5Confident127 Ų12762.4 Ų62.467%0.66533%0.334SS*.  trans60.710.3-176.5-51.3179000114.5C10C10-L14 VanDerWaalsContact O-CA 3.22Å; C10-L14 WeakPolarHBondContact O-CA 3.46Å; C10-L14 PolarHBondContact O-N 3.04Å
15E91.2Very high89.3Confident134 Ų13459.9 Ų59.963%0.62632%0.323SS*.SBendtrans-97.2167172.3-61.7-6115600110.4T9 C10 C13T9-E15 CarbonylContact C-O 3.57Å; T9-E15 VanDerWaalsContact CA-O 3.3Å; T9-E15 WeakPolarHBondContact CA-O 3.42Å; C10-E15 PolarHBondContact N-O 2.77Å; C13-E15 PolarHBondContact O-N 2.84Å; C13-E15 VanDerWaalsContact O-N 3.1Å
16L89.9Confident89.9Confident38 Ų3859.2 Ų59.220%0.19933%0.333CS..BIsolated β-bridgetrans-52.9142.4168.5-67.4175000110.5E5 L8 E18 I83 F86 Q87E5-L16 HydrophobicContact CG-CD2 4.42Å; L8-L16 HydrophobicContact CB-CD2 3.7Å; L8-L16 WeakPolarHBondContact O-CA 3.48Å; L16-E18 PolarHBondContact O-N 3.31Å; L16-I83 HydrophobicContact CB-CG2 4.35Å; L16-I83 HydrophobicContact CD1-CG2 4.45Å; L16-F86 HydrophobicContact CD1-CD1 4.24Å; L16-F86 HydrophobicContact CD1-CE1 4.33Å; L16-F86 HydrophobicContact CD2-CD1 4.45Å; L16-F86 HydrophobicContact CD2-CE1 4.38Å; L16-Q87 HydrophobicContact CD1-CG 4.13Å
17F93Very high90.6Very high17 Ų1758.8 Ų58.88%0.07532%0.322CS..PPolyproline II helixtrans-59.2134.2-179.2-69.1-89.3000112.4L8 T9 C10 P20 S28 L79 I83L8-F17 WeakPolarHBondContact O-CD2 3.2Å; L8-F17 PolarHBondContact O-N 3.23Å; L8-F17 VanDerWaalsContact O-N 3.15Å; T9-F17 VanDerWaalsContact C-CE2 3.49Å; T9-F17 VanDerWaalsContact O-CE2 3.23Å; T9-F17 WeakPolarHBondContact O-CE2 3.44Å; T9-F17 WeakPolarHBondContact O-CZ 3.42Å; C10-F17 HydrophobicContact CB-CD1 3.67Å; C10-F17 HydrophobicContact CB-CE1 3.66Å; C10-F17 HydrophobicContact CB-CG 4.19Å; C10-F17 HydrophobicContact CB-CZ 4.19Å; F17-P20 HydrophobicContact CB-CB 3.97Å; F17-P20 HydrophobicContact CB-CG 4.37Å; F17-P20 HydrophobicContact CD1-CB 4.21Å; F17-P20 HydrophobicContact CG-CB 4.28Å; F17-S28 VanDerWaalsContact CE1-O 3.29Å; F17-S28 WeakPolarHBondContact CE1-O 3.45Å; F17-L79 HydrophobicContact CB-CD2 4.43Å; F17-L79 HydrophobicContact CD1-CD2 4.45Å; F17-L79 HydrophobicContact CD2-CD1 4.42Å; F17-L79 HydrophobicContact CD2-CD2 3.67Å; F17-L79 HydrophobicContact CD2-CG 4.28Å; F17-L79 HydrophobicContact CE2-CD2 3.95Å; F17-L79 HydrophobicContact CG-CD2 3.95Å; F17-L79 HydrophobicContact CZ-CD2 4.44Å; F17-I83 HydrophobicContact CB-CD1 3.55Å; F17-I83 HydrophobicContact CD2-CD1 4.31Å; F17-I83 HydrophobicContact CG-CD1 4.43Å; F17-I83 WeakPolarHBondContact O-CD1 3.44Å
18E89.6Confident91.1Very high138 Ų13852.9 Ų52.965%0.64530%0.296SS*.SBendtrans-120.9119.8174.8-171.4-179.4-166.900108.2L16 C30L16-E18 PolarHBondContact O-N 3.31Å; E18-C30 PolarHBondContact N-SG 2.8Å; E18-C30 WeakPolarHBondContact O-CA 3.47Å; E18-C30 WeakPolarHBondContact O-CB 3.49Å
19D91.2Very high91.3Very high65 Ų6552.4 Ų52.435%0.34829%0.294SS..SBendtrans47.365.8-170.3-168.927000112.6L21 F31 R75D19-L21 PolarHBondContact O-N 3.02Å; D19-F31 HydrophobicContact CB-CB 4.19Å; D19-F31 PolarHBondContact O-N 3.47Å; D19-F31 WeakPolarHBondContact OD2-CB 3.48Å; D19-R75 WeakPolarHBondContact OD1-CG 3.27Å
20P93.1Very high91.5Very high2 Ų250.7 Ų50.71%0.01328%0.284CS..EExtended strand (participates in β ladder)trans-68120.7-174.725.4-32.1000111.5F17 L29 R75 N76 L79 Q80F17-P20 HydrophobicContact CB-CB 3.97Å; F17-P20 HydrophobicContact CB-CG 4.37Å; F17-P20 HydrophobicContact CD1-CB 4.21Å; F17-P20 HydrophobicContact CG-CB 4.28Å; P20-L29 CarbonylContact C-O 3.22Å; P20-L29 WeakPolarHBondContact CA-O 3.3Å; P20-R75 CarbonylContact O-C 3.42Å; P20-R75 WeakPolarHBondContact O-CA 3.17Å; P20-N76 HydrophobicContact CB-CB 4.15Å; P20-N76 HydrophobicContact CG-CB 4.21Å; P20-N76 PolarHBondContact O-N 3.19Å; P20-L79 HydrophobicContact CB-CD2 3.83Å; P20-L79 HydrophobicContact CB-CG 4.38Å; P20-L79 HydrophobicContact CG-CB 4.22Å; P20-L79 HydrophobicContact CG-CD2 4.26Å; P20-L79 HydrophobicContact CG-CG 4.27Å; P20-Q80 HydrophobicContact CG-CB 4.3Å
21L93Very high91.5Very high0 Ų052.7 Ų52.70%029%0.292CS..EExtended strand (participates in β ladder)trans-82.9135.4168.3-67.7178.1000110.8D19 S28 L29 F31 A34 L70 L73 R75D19-L21 PolarHBondContact O-N 3.02Å; L21-S28 WeakPolarHBondContact O-CA 3.33Å; L21-L29 PolarHBondContact N-O 2.78Å; L21-L29 PolarHBondContact O-N 2.93Å; L21-F31 HydrophobicContact CD1-CB 4.29Å; L21-F31 HydrophobicContact CD1-CD2 3.81Å; L21-F31 HydrophobicContact CD1-CG 4.39Å; L21-F31 HydrophobicContact CD2-CD2 4.09Å; L21-F31 HydrophobicContact CG-CB 4.28Å; L21-F31 HydrophobicContact CG-CD2 4.15Å; L21-A34 HydrophobicContact CD1-CB 4.03Å; L21-L70 HydrophobicContact CD1-CB 4.45Å; L21-L73 HydrophobicContact CD1-CD1 4.3Å; L21-L73 HydrophobicContact CD2-CB 4.19Å; L21-R75 HydrophobicContact CD2-CG 4.45Å
22L93.2Very high91.5Very high67 Ų6754.2 Ų54.235%0.35130%0.297SS..EExtended strand (participates in β ladder)trans-90.9113.9171.5-175.963.3000110K74 N76L22-K74 PolarHBondContact N-O 3.1Å; L22-N76 HydrophobicContact CB-CB 4.21Å
23L91.4Very high91.6Very high4 Ų451.2 Ų51.22%0.02128%0.283CS..  trans-79154177.5-55.1-178.8000111.3C25 A26 H27 L29 F54 C56 I63 L73L23-C25 PolarHBondContact O-N 3Å; L23-C25 VanDerWaalsContact O-N 3.08Å; L23-A26 WeakPolarHBondContact O-CA 3.13Å; L23-A26 PolarHBondContact O-N 3.15Å; L23-H27 WeakPolarHBondContact CB-O 3.41Å; L23-H27 WeakPolarHBondContact CG-O 3.18Å; L23-H27 PolarHBondContact N-O 3.11Å; L23-L29 HydrophobicContact CD1-CD1 4.01Å; L23-L29 HydrophobicContact CD1-CG 4.22Å; L23-F54 HydrophobicContact CD1-CE2 4.49Å; L23-F54 HydrophobicContact CD1-CZ 4.48Å; L23-F54 HydrophobicContact CD2-CZ 3.74Å; L23-C56 HydrophobicContact CD1-CB 4.11Å; L23-I63 HydrophobicContact CB-CD1 4.16Å; L23-I63 HydrophobicContact CD1-CG1 4.31Å; L23-I63 HydrophobicContact CD2-CG1 4.49Å; L23-I63 HydrophobicContact CD2-CG2 4.49Å; L23-L73 HydrophobicContact CD2-CD1 3.89Å
24P88.5Confident91.6Very high91 Ų9148.7 Ų48.759%0.59127%0.265SS*.THydrogen-bonded Turntrans-51.6-28.2171.8-3033.4000115.2A26 I63P24-A26 PolarHBondContact O-N 3.23Å; P24-I63 HydrophobicContact CG-CG2 4.2Å
25C88.8Confident91.6Very high29 Ų2947 Ų4720%0.19625%0.254CS..THydrogen-bonded Turntrans-8211.2174.667.80000114.3L23 H27 C56 H61 I63L23-C25 PolarHBondContact O-N 3Å; L23-C25 VanDerWaalsContact O-N 3.08Å; C25-H27 PolarHBondContact O-N 3.25Å; C25-C56 VanDerWaalsContact SG-SG 3.63Å; C25-H61 HydrophobicContact CB-CB 3.74Å; C25-I63 HydrophobicContact CB-CD1 4.42Å
26A90.3Very high91.4Very high77 Ų7749.4 Ų49.464%0.63626%0.257SS*.SBendtrans63.89.5-178.100000116.8L23 P24L23-A26 WeakPolarHBondContact O-CA 3.13Å; L23-A26 PolarHBondContact O-N 3.15Å; P24-A26 PolarHBondContact O-N 3.23Å
27H92.1Very high91.2Very high66 Ų6648.7 Ų48.731%0.30625%0.253SS..  trans-86.4156.2168.7-67111.6000110.9L23 C25 C59L23-H27 WeakPolarHBondContact CB-O 3.41Å; L23-H27 WeakPolarHBondContact CG-O 3.18Å; L23-H27 PolarHBondContact N-O 3.11Å; C25-H27 PolarHBondContact O-N 3.25Å; H27-C59 VanDerWaalsContact CE1-CB 3.48Å; H27-C59 WeakPolarHBondContact CE1-CB 3.43Å; H27-C59 PolarHBondContact ND1-SG 2.98Å
28S94.3Very high90.8Very high17 Ų1748.9 Ų48.912%0.11926%0.255CS..EExtended strand (participates in β ladder)trans-112.4147.6177.6-580000111.7F17 L21 N76F17-S28 VanDerWaalsContact CE1-O 3.29Å; F17-S28 WeakPolarHBondContact CE1-O 3.45Å; L21-S28 WeakPolarHBondContact O-CA 3.33Å; S28-N76 PolarHBondContact OG-ND2 3.47Å
29L93.9Very high90.3Very high0 Ų046.1 Ų46.10%025%0.248CC..EExtended strand (participates in β ladder)trans-140.1148.7172.3-71.5179.6000109.1P11 I12 P20 L21 L23 A34 I37 F54 P57P11-L29 HydrophobicContact CG-CD2 3.86Å; I12-L29 HydrophobicContact CG1-CD2 3.77Å; P20-L29 CarbonylContact C-O 3.22Å; P20-L29 WeakPolarHBondContact CA-O 3.3Å; L21-L29 PolarHBondContact N-O 2.78Å; L21-L29 PolarHBondContact O-N 2.93Å; L23-L29 HydrophobicContact CD1-CD1 4.01Å; L23-L29 HydrophobicContact CD1-CG 4.22Å; L29-A34 HydrophobicContact CB-CB 4.47Å; L29-A34 HydrophobicContact CD1-CB 4.41Å; L29-I37 HydrophobicContact CD1-CD1 4.07Å; L29-F54 HydrophobicContact CD1-CE2 4.19Å; L29-P57 HydrophobicContact CD1-CG 3.94Å; L29-P57 HydrophobicContact CD2-CG 3.73Å; L29-P57 HydrophobicContact CG-CG 4.36Å
30C95.3Very high89.4Confident5 Ų547.2 Ų47.23%0.03426%0.26CS..EExtended strand (participates in β ladder)trans-60144.2167.2-52.60000109.8C10 E18 N32 C33 A34C10-C30 VanDerWaalsContact CB-SG 3.52Å; E18-C30 PolarHBondContact N-SG 2.8Å; E18-C30 WeakPolarHBondContact O-CA 3.47Å; E18-C30 WeakPolarHBondContact O-CB 3.49Å; C30-N32 VanDerWaalsContact C-N 3.25Å; C30-N32 PolarHBondContact O-N 3.03Å; C30-C33 HydrophobicContact CB-CB 4.08Å; C30-C33 WeakPolarHBondContact O-CB 3.35Å; C30-C33 PolarHBondContact O-N 2.89Å; C30-A34 PolarHBondContact O-N 3.18Å
31F92.6Very high88Confident41 Ų4152.7 Ų52.718%0.1829%0.285CS..Hα-helixtrans-49.5-48.4175.5-178-87.6000111.9D19 L21 C33 A34 H35 L70D19-F31 HydrophobicContact CB-CB 4.19Å; D19-F31 PolarHBondContact O-N 3.47Å; D19-F31 WeakPolarHBondContact OD2-CB 3.48Å; L21-F31 HydrophobicContact CD1-CB 4.29Å; L21-F31 HydrophobicContact CD1-CD2 3.81Å; L21-F31 HydrophobicContact CD1-CG 4.39Å; L21-F31 HydrophobicContact CD2-CD2 4.09Å; L21-F31 HydrophobicContact CG-CB 4.28Å; L21-F31 HydrophobicContact CG-CD2 4.15Å; F31-C33 VanDerWaalsContact C-N 3.32Å; F31-C33 PolarHBondContact O-N 3.18Å; F31-A34 PolarHBondContact O-N 2.84Å; F31-H35 WeakPolarHBondContact O-CB 3.49Å; F31-H35 PolarHBondContact O-N 3.35Å; F31-L70 HydrophobicContact CE2-CB 4.16Å
32N90.1Very high86.2Confident95 Ų9556 Ų5651%0.50831%0.308SS..Hα-helixtrans-65.1-31.8179.4-70.6-36.1000113.5C30 R36C30-N32 VanDerWaalsContact C-N 3.25Å; C30-N32 PolarHBondContact O-N 3.03Å; N32-R36 WeakPolarHBondContact O-CG 3.33Å; N32-R36 PolarHBondContact O-N 3.19Å
33C92.9Very high84Confident9 Ų956.9 Ų56.96%0.06133%0.325CS..Hα-helixtrans-71.6-43.2176-680000111.2I12 C30 F31 H35 R36 I37I12-C33 HydrophobicContact CB-CB 3.85Å; I12-C33 HydrophobicContact CG1-CB 4.29Å; I12-C33 HydrophobicContact CG2-CB 3.81Å; C30-C33 HydrophobicContact CB-CB 4.08Å; C30-C33 WeakPolarHBondContact O-CB 3.35Å; C30-C33 PolarHBondContact O-N 2.89Å; F31-C33 VanDerWaalsContact C-N 3.32Å; F31-C33 PolarHBondContact O-N 3.18Å; C33-H35 VanDerWaalsContact C-N 3.33Å; C33-R36 PolarHBondContact O-N 3.39Å; C33-I37 WeakPolarHBondContact O-CG1 3.07Å; C33-I37 PolarHBondContact O-N 3.47Å; C33-I37 VanDerWaalsContact O-N 3.11Å
34A90.1Very high81.9Confident0 Ų062.9 Ų62.90%036%0.362CS..Hα-helixtrans-63.4-40.5174.400000111.5L21 L29 C30 F31 I37 L38 F54 L70L21-A34 HydrophobicContact CD1-CB 4.03Å; L29-A34 HydrophobicContact CB-CB 4.47Å; L29-A34 HydrophobicContact CD1-CB 4.41Å; C30-A34 PolarHBondContact O-N 3.18Å; F31-A34 PolarHBondContact O-N 2.84Å; A34-I37 PolarHBondContact O-N 3.15Å; A34-L38 WeakPolarHBondContact O-CB 3.41Å; A34-L38 PolarHBondContact O-N 2.8Å; A34-F54 HydrophobicContact CB-CZ 4.4Å; A34-L70 HydrophobicContact CB-CD1 4.08Å; A34-L70 HydrophobicContact CB-CD2 3.99Å
35H88.1Confident80.1Confident91 Ų9166.9 Ų66.942%0.42138%0.378SS..Hα-helixtrans-60.4-45.1175.3-175.3-88.8000112.1F31 C33 I37 L38 V39 L70F31-H35 WeakPolarHBondContact O-CB 3.49Å; F31-H35 PolarHBondContact O-N 3.35Å; C33-H35 VanDerWaalsContact C-N 3.33Å; H35-I37 PolarHBondContact O-N 3.26Å; H35-L38 PolarHBondContact O-N 3.47Å; H35-V39 WeakPolarHBondContact O-CG2 3.29Å; H35-V39 PolarHBondContact O-N 3.45Å; H35-L70 HydrophobicContact CB-CD1 3.83Å; H35-L70 VanDerWaalsContact N-CD1 3.32Å
36R87.7Confident77.9Confident186 Ų18673.5 Ų73.570%0.70241%0.406SS*.Hα-helixtrans-62.2-41.6176.6-79.6177.4169.1-107.30.6113.1N32 C33 L38 V39 S40N32-R36 WeakPolarHBondContact O-CG 3.33Å; N32-R36 PolarHBondContact O-N 3.19Å; C33-R36 PolarHBondContact O-N 3.39Å; R36-L38 VanDerWaalsContact C-N 3.33Å; R36-V39 PolarHBondContact O-N 3.15Å; R36-S40 WeakPolarHBondContact O-CB 3.27Å; R36-S40 PolarHBondContact O-N 2.82Å; R36-S40 PolarHBondContact O-OG 3.44Å
37I86.4Confident76Confident23 Ų2374.4 Ų74.412%0.11841%0.408CS..Hα-helixtrans-63.2-43.1176.3-67.3166.1000110.4I12 L29 C33 A34 H35 V39 S40 H41 F54 P57I12-I37 HydrophobicContact CD1-CD1 4.08Å; I12-I37 HydrophobicContact CG1-CD1 4.09Å; L29-I37 HydrophobicContact CD1-CD1 4.07Å; C33-I37 WeakPolarHBondContact O-CG1 3.07Å; C33-I37 PolarHBondContact O-N 3.47Å; C33-I37 VanDerWaalsContact O-N 3.11Å; A34-I37 PolarHBondContact O-N 3.15Å; H35-I37 PolarHBondContact O-N 3.26Å; I37-V39 PolarHBondContact O-N 2.66Å; I37-S40 PolarHBondContact O-N 2.93Å; I37-S40 PolarHBondContact O-OG 3.3Å; I37-S40 VanDerWaalsContact O-OG 3.13Å; I37-H41 PolarHBondContact O-CD2 3.39Å; I37-H41 PolarHBondContact O-N 3.39Å; I37-F54 HydrophobicContact CG2-CB 4.11Å; I37-F54 HydrophobicContact CG2-CD2 3.82Å; I37-F54 HydrophobicContact CG2-CG 4.29Å; I37-P57 HydrophobicContact CD1-CG 4.17Å
38L83.9Confident73.9Confident21 Ų2177.8 Ų77.811%0.1143%0.433CS..Hα-helixtrans-61.7-45.5179-166.770.2000111.2A34 H35 R36 I51 F54 L65 L70A34-L38 WeakPolarHBondContact O-CB 3.41Å; A34-L38 PolarHBondContact O-N 2.8Å; H35-L38 PolarHBondContact O-N 3.47Å; R36-L38 VanDerWaalsContact C-N 3.33Å; L38-I51 HydrophobicContact CD1-CB 3.99Å; L38-I51 HydrophobicContact CD1-CG2 3.38Å; L38-I51 HydrophobicContact CG-CB 4.24Å; L38-I51 HydrophobicContact CG-CD1 4.21Å; L38-I51 HydrophobicContact CG-CG2 3.98Å; L38-I51 WeakPolarHBondContact O-CD1 3.45Å; L38-F54 HydrophobicContact CD1-CB 4.24Å; L38-F54 HydrophobicContact CD1-CD1 4.2Å; L38-L65 HydrophobicContact CD1-CD1 3.58Å; L38-L65 HydrophobicContact CD2-CD1 3.82Å; L38-L65 HydrophobicContact CG-CD1 4.37Å; L38-L70 HydrophobicContact CD2-CD1 4.17Å; L38-L70 HydrophobicContact CD2-CG 4.06Å
39V78.7Confident71.7Confident80 Ų8085.4 Ų85.449%0.48547%0.466SS..Hα-helixtrans-71.2-34.7179.3175.70000112.3H35 R36 I37 H41 C42H35-V39 WeakPolarHBondContact O-CG2 3.29Å; H35-V39 PolarHBondContact O-N 3.45Å; R36-V39 PolarHBondContact O-N 3.15Å; I37-V39 PolarHBondContact O-N 2.66Å; V39-H41 VanDerWaalsContact C-N 3.27Å; V39-H41 PolarHBondContact O-N 3.13Å; V39-C42 WeakPolarHBondContact O-CB 3.21Å; V39-C42 PolarHBondContact O-N 2.97Å; V39-C42 VanDerWaalsContact O-N 3.17Å
40S72Confident69.8Low88 Ų8889.8 Ų89.862%0.61550%0.497SS*.Hα-helixtrans-72.9-17.5-179.367.70000114R36 I37 C42R36-S40 WeakPolarHBondContact O-CB 3.27Å; R36-S40 PolarHBondContact O-N 2.82Å; R36-S40 PolarHBondContact O-OG 3.44Å; I37-S40 PolarHBondContact O-N 2.93Å; I37-S40 PolarHBondContact O-OG 3.3Å; I37-S40 VanDerWaalsContact O-OG 3.13Å; S40-C42 VanDerWaalsContact C-N 3.25Å
41H64.5Low68.3Low116 Ų11691.8 Ų91.854%0.53751%0.507SS..THydrogen-bonded Turntrans-78.3-5.3171.4-81.6-64.8000113.7I37 V39 A43I37-H41 PolarHBondContact O-CD2 3.39Å; I37-H41 PolarHBondContact O-N 3.39Å; V39-H41 VanDerWaalsContact C-N 3.27Å; V39-H41 PolarHBondContact O-N 3.13Å; H41-A43 PolarHBondContact O-N 2.84Å
42C56.1Low67.2Low70 Ų7094.1 Ų94.147%0.47353%0.525SS..  trans-86.986.1170.1-88.30000111.4V39 S40 I51V39-C42 WeakPolarHBondContact O-CB 3.21Å; V39-C42 PolarHBondContact O-N 2.97Å; V39-C42 VanDerWaalsContact O-N 3.17Å; S40-C42 VanDerWaalsContact C-N 3.25Å; C42-I51 HydrophobicContact CB-CD1 4.46Å; C42-I51 WeakPolarHBondContact SG-CD1 3.23Å
43A47.2Very low66.9Low86 Ų8691.2 Ų91.271%0.71151%0.514SS*.  trans-117.260.9168.300000110.7H41H41-A43 PolarHBondContact O-N 2.84Å
44T45.5Very low66.7Low129 Ų12991 Ų9179%0.79151%0.512SS*.SBendtrans-177.2142.5151.4390000109.6E46T44-E46 PolarHBondContact O-N 2.9Å
45N50.8Low66.6Low176 Ų17696.1 Ų96.194%0.94154%0.536SS*.SBendtrans-49.379-175.3-70.8-22.8000116.3
46E44Very low66.7Low168 Ų16891.8 Ų91.879%0.78552%0.516SS*.  trans-132.7149.2162.1-73.3-171163.700110.8T44T44-E46 PolarHBondContact O-N 2.9Å
47S49Very low66.7Low95 Ų9585.5 Ų85.566%0.66450%0.499SS*.  trans-53.8142.1-178.743.40000112.7E49S47-E49 PolarHBondContact O-N 2.84Å
48V49.3Very low66.8Low137 Ų13787.7 Ų87.783%0.8351%0.514SS*.THydrogen-bonded Turntrans-59.72.7-171.7-179.80000115.2
49E47.7Very low66.9Low177 Ų17789.4 Ų89.483%0.82753%0.527SS*.THydrogen-bonded Turntrans-94.47.5-168.9-68.1-176.816200115.3S47S47-E49 PolarHBondContact O-N 2.84Å
50S54.9Low67.4Low93 Ų9395.2 Ų95.265%0.6554%0.54SS*.  trans-140.835-171.7-58.50000115.9T52S50-T52 PolarHBondContact O-N 2.7Å
51I61.8Low68.1Low46 Ų4695.8 Ų95.824%0.23653%0.533CS..  trans-9395.3168.1-42.2170.4000109L38 C42L38-I51 HydrophobicContact CD1-CB 3.99Å; L38-I51 HydrophobicContact CD1-CG2 3.38Å; L38-I51 HydrophobicContact CG-CB 4.24Å; L38-I51 HydrophobicContact CG-CD1 4.21Å; L38-I51 HydrophobicContact CG-CG2 3.98Å; L38-I51 WeakPolarHBondContact O-CD1 3.45Å; C42-I51 HydrophobicContact CB-CD1 4.46Å; C42-I51 WeakPolarHBondContact SG-CD1 3.23Å
52T71.4Confident69.2Low90 Ų9093.9 Ų93.955%0.55253%0.529SS*.  trans-94.12-175.963.20000113.4S50 T64 L65S50-T52 PolarHBondContact O-N 2.7Å; T52-T64 CarbonylContact O-C 3.57Å; T52-T64 VanDerWaalsContact O-CA 3.3Å; T52-T64 WeakPolarHBondContact O-CA 3.41Å; T52-T64 WeakPolarHBondContact O-CG2 3.48Å; T52-L65 PolarHBondContact O-N 3.24Å
53A83.4Confident70.8Confident35 Ų3590.5 Ų90.529%0.28951%0.507SS..EExtended strand (participates in β ladder)trans-160.5155.9176.600000114.9V62 I63A53-V62 HydrophobicContact CB-CG1 3.96Å; A53-I63 CarbonylContact C-O 3.56Å; A53-I63 WeakPolarHBondContact CA-O 3.45Å; A53-I63 WeakPolarHBondContact CB-O 3.22Å
54F87.7Confident72.6Confident5 Ų591.3 Ų91.32%0.02250%0.503CS..EExtended strand (participates in β ladder)trans-143.9163167.272.7-83.9000111.3L23 L29 A34 I37 L38 I63 L65 L70L23-F54 HydrophobicContact CD1-CE2 4.49Å; L23-F54 HydrophobicContact CD1-CZ 4.48Å; L23-F54 HydrophobicContact CD2-CZ 3.74Å; L29-F54 HydrophobicContact CD1-CE2 4.19Å; A34-F54 HydrophobicContact CB-CZ 4.4Å; I37-F54 HydrophobicContact CG2-CB 4.11Å; I37-F54 HydrophobicContact CG2-CD2 3.82Å; I37-F54 HydrophobicContact CG2-CG 4.29Å; L38-F54 HydrophobicContact CD1-CB 4.24Å; L38-F54 HydrophobicContact CD1-CD1 4.2Å; F54-I63 HydrophobicContact CD1-CB 4.09Å; F54-I63 HydrophobicContact CD1-CG2 4.43Å; F54-I63 HydrophobicContact CE1-CB 3.82Å; F54-I63 HydrophobicContact CE1-CG1 4.33Å; F54-I63 HydrophobicContact CE1-CG2 3.8Å; F54-I63 HydrophobicContact CE2-CB 4.47Å; F54-I63 HydrophobicContact CE2-CG1 4.17Å; F54-I63 HydrophobicContact CZ-CB 4.04Å; F54-I63 HydrophobicContact CZ-CG1 4.02Å; F54-I63 HydrophobicContact CZ-CG2 4.14Å; F54-I63 PolarHBondContact N-O 3.39Å; F54-I63 PolarHBondContact O-N 3.35Å; F54-L65 HydrophobicContact CD1-CD1 4.18Å; F54-L65 HydrophobicContact CD1-CG 4.43Å; F54-L65 HydrophobicContact CE1-CD1 4.42Å; F54-L65 HydrophobicContact CE1-CD2 4.17Å; F54-L70 HydrophobicContact CE1-CD2 3.82Å; F54-L70 HydrophobicContact CZ-CD2 4.46Å
55Q88.9Confident74.4Confident106 Ų10685.7 Ų85.750%0.49547%0.468SS..EExtended strand (participates in β ladder)trans-92.2133.5177.6-70.2-178.7-3.700111.8V62Q55-V62 HydrophobicContact CG-CG2 4.21Å
56C90.6Very high75.6Confident0 Ų080.7 Ų80.70%045%0.447CS..  trans-61.8125.7172.5177.20000110.1L23 C25 T58 C59 R60 H61 I63L23-C56 HydrophobicContact CD1-CB 4.11Å; C25-C56 VanDerWaalsContact SG-SG 3.63Å; C56-T58 PolarHBondContact O-N 2.84Å; C56-T58 PolarHBondContact SG-N 2.91Å; C56-C59 VanDerWaalsContact SG-SG 3.69Å; C56-R60 WeakPolarHBondContact O-CA 3.34Å; C56-R60 PolarHBondContact O-N 2.79Å; C56-H61 PolarHBondContact N-O 2.82Å; C56-I63 HydrophobicContact CB-CD1 4.37Å; C56-I63 HydrophobicContact CB-CG1 4.39Å
57P87.6Confident77.1Confident54 Ų5482.7 Ų82.735%0.35146%0.456SS..THydrogen-bonded Turntrans-68-22.7-17928.4-36000113I12 L29 I37I12-P57 HydrophobicContact CD1-CB 3.64Å; I12-P57 HydrophobicContact CD1-CG 3.7Å; I12-P57 HydrophobicContact CG1-CG 4.04Å; L29-P57 HydrophobicContact CD1-CG 3.94Å; L29-P57 HydrophobicContact CD2-CG 3.73Å; L29-P57 HydrophobicContact CG-CG 4.36Å; I37-P57 HydrophobicContact CD1-CG 4.17Å
58T87.9Confident78.3Confident70 Ų7087.6 Ų87.643%0.42946%0.46SS..THydrogen-bonded Turntrans-82.9-43.6-177.6-45.60000112.6C56C56-T58 PolarHBondContact O-N 2.84Å; C56-T58 PolarHBondContact SG-N 2.91Å
59C85.6Confident80Confident56 Ų5682.2 Ų82.238%0.37843%0.432SS..THydrogen-bonded Turntrans-126.82.2-174.467.70000115.1H27 C56 H61H27-C59 VanDerWaalsContact CE1-CB 3.48Å; H27-C59 WeakPolarHBondContact CE1-CB 3.43Å; H27-C59 PolarHBondContact ND1-SG 2.98Å; C56-C59 VanDerWaalsContact SG-SG 3.69Å; C59-H61 PolarHBondContact O-N 3.16Å; C59-H61 VanDerWaalsContact O-N 3.08Å; C59-H61 VanDerWaalsContact SG-CB 3.58Å
60R88.7Confident81.7Confident203 Ų20374.2 Ų74.277%0.76640%0.395SS*.  trans60.710.9-178.5-55.7-176.5179.7148-0.6115.5C56C56-R60 WeakPolarHBondContact O-CA 3.34Å; C56-R60 PolarHBondContact O-N 2.79Å
61H87.2Confident83Confident100 Ų10074.4 Ų74.446%0.46339%0.388SS..  trans-62.7135.4172.7-169.474.8000110.5C25 C56 C59 I63C25-H61 HydrophobicContact CB-CB 3.74Å; C56-H61 PolarHBondContact N-O 2.82Å; C59-H61 PolarHBondContact O-N 3.16Å; C59-H61 VanDerWaalsContact O-N 3.08Å; C59-H61 VanDerWaalsContact SG-CB 3.58Å; H61-I63 PolarHBondContact O-N 2.8Å
62V88.6Confident83.9Confident75 Ų7574.2 Ų74.246%0.45540%0.398SS..EExtended strand (participates in β ladder)trans-77.5119.8178.7-179.70000109.1A53 Q55A53-V62 HydrophobicContact CB-CG1 3.96Å; Q55-V62 HydrophobicContact CG-CG2 4.21Å
63I88.4Confident84.5Confident0 Ų070.9 Ų70.90%038%0.376CS..EExtended strand (participates in β ladder)trans-97.8106.4179.1-50.2-49.2000108.4L23 P24 C25 A53 F54 C56 H61 L65 L73L23-I63 HydrophobicContact CB-CD1 4.16Å; L23-I63 HydrophobicContact CD1-CG1 4.31Å; L23-I63 HydrophobicContact CD2-CG1 4.49Å; L23-I63 HydrophobicContact CD2-CG2 4.49Å; P24-I63 HydrophobicContact CG-CG2 4.2Å; C25-I63 HydrophobicContact CB-CD1 4.42Å; A53-I63 CarbonylContact C-O 3.56Å; A53-I63 WeakPolarHBondContact CA-O 3.45Å; A53-I63 WeakPolarHBondContact CB-O 3.22Å; F54-I63 HydrophobicContact CD1-CB 4.09Å; F54-I63 HydrophobicContact CD1-CG2 4.43Å; F54-I63 HydrophobicContact CE1-CB 3.82Å; F54-I63 HydrophobicContact CE1-CG1 4.33Å; F54-I63 HydrophobicContact CE1-CG2 3.8Å; F54-I63 HydrophobicContact CE2-CB 4.47Å; F54-I63 HydrophobicContact CE2-CG1 4.17Å; F54-I63 HydrophobicContact CZ-CB 4.04Å; F54-I63 HydrophobicContact CZ-CG1 4.02Å; F54-I63 HydrophobicContact CZ-CG2 4.14Å; F54-I63 PolarHBondContact N-O 3.39Å; F54-I63 PolarHBondContact O-N 3.35Å; C56-I63 HydrophobicContact CB-CD1 4.37Å; C56-I63 HydrophobicContact CB-CG1 4.39Å; H61-I63 PolarHBondContact O-N 2.8Å; I63-L65 HydrophobicContact CG2-CD2 4.27Å; I63-L73 HydrophobicContact CG2-CD2 4.47Å
64T86.3Confident84.6Confident103 Ų10377.2 Ų77.263%0.63240%0.397SS*.EExtended strand (participates in β ladder)trans-82.2129.9174.6-47.70000110.4T52T52-T64 CarbonylContact O-C 3.57Å; T52-T64 VanDerWaalsContact O-CA 3.3Å; T52-T64 WeakPolarHBondContact O-CA 3.41Å; T52-T64 WeakPolarHBondContact O-CG2 3.48Å
65L82.8Confident84.7Confident11 Ų1181.7 Ų81.76%0.05841%0.414CS..  trans-101.4143179.9-59.9179.7000110.8L38 T52 F54 I63 L70 L73L38-L65 HydrophobicContact CD1-CD1 3.58Å; L38-L65 HydrophobicContact CD2-CD1 3.82Å; L38-L65 HydrophobicContact CG-CD1 4.37Å; T52-L65 PolarHBondContact O-N 3.24Å; F54-L65 HydrophobicContact CD1-CD1 4.18Å; F54-L65 HydrophobicContact CD1-CG 4.43Å; F54-L65 HydrophobicContact CE1-CD1 4.42Å; F54-L65 HydrophobicContact CE1-CD2 4.17Å; I63-L65 HydrophobicContact CG2-CD2 4.27Å; L65-L70 HydrophobicContact CD1-CD2 3.9Å; L65-L70 HydrophobicContact CD1-CG 4.28Å; L65-L70 HydrophobicContact CD2-CD2 4.06Å; L65-L73 HydrophobicContact CD2-CD1 3.93Å; L65-L73 HydrophobicContact CD2-CD2 4.34Å; L65-L73 HydrophobicContact CD2-CG 4.11Å
66S76.6Confident84.6Confident71 Ų7178.1 Ų78.150%0.49740%0.399SS..BIsolated β-bridgetrans-79.1-179.2173.972.90000111.6R68 G69S66-R68 PolarHBondContact O-N 3.1Å; S66-R68 PolarHBondContact OG-N 2.96Å; S66-G69 PolarHBondContact O-N 3.46Å
67Q74.5Confident84.5Confident210 Ų21082.4 Ų82.498%0.98143%0.425SS*.THydrogen-bonded Turntrans-54.3-20.1171.4-67.7176.8-3.200113.8G69Q67-G69 VanDerWaalsContact C-N 3.32Å
68R74.9Confident84.3Confident198 Ų19884.5 Ų84.575%0.74744%0.436SS*.THydrogen-bonded Turntrans-87.57.2175.7-53.5-173.9-147.6-174.95.4113.8S66 L70 D71 G72S66-R68 PolarHBondContact O-N 3.1Å; S66-R68 PolarHBondContact OG-N 2.96Å; R68-L70 PolarHBondContact O-N 3.04Å; R68-D71 WeakPolarHBondContact O-CB 3.48Å; R68-D71 PolarHBondContact O-N 3.36Å; R68-D71 VanDerWaalsContact O-N 3.15Å; R68-G72 PolarHBondContact O-N 3.1Å
69G83.8Confident84.3Confident23 Ų2382.2 Ų82.224%0.23742%0.422CS..BIsolated β-bridgetrans54.7-137.7179.500000113S66 Q67 D71 G72S66-G69 PolarHBondContact O-N 3.46Å; Q67-G69 VanDerWaalsContact C-N 3.32Å; G69-D71 VanDerWaalsContact C-N 3.26Å; G69-D71 PolarHBondContact O-N 3.09Å; G69-G72 PolarHBondContact O-N 3.38Å
70L84.6Confident84.4Confident9 Ų982.1 Ų82.15%0.04742%0.416CS..G310 helixtrans-66.9-25177.6-65.9174.4000113.2L21 F31 A34 H35 L38 F54 L65 R68 G72 L73L21-L70 HydrophobicContact CD1-CB 4.45Å; F31-L70 HydrophobicContact CE2-CB 4.16Å; A34-L70 HydrophobicContact CB-CD1 4.08Å; A34-L70 HydrophobicContact CB-CD2 3.99Å; H35-L70 HydrophobicContact CB-CD1 3.83Å; H35-L70 VanDerWaalsContact N-CD1 3.32Å; L38-L70 HydrophobicContact CD2-CD1 4.17Å; L38-L70 HydrophobicContact CD2-CG 4.06Å; F54-L70 HydrophobicContact CE1-CD2 3.82Å; F54-L70 HydrophobicContact CZ-CD2 4.46Å; L65-L70 HydrophobicContact CD1-CD2 3.9Å; L65-L70 HydrophobicContact CD1-CG 4.28Å; L65-L70 HydrophobicContact CD2-CD2 4.06Å; R68-L70 PolarHBondContact O-N 3.04Å; L70-G72 PolarHBondContact O-N 3.21Å; L70-L73 HydrophobicContact CD2-CD1 3.91Å; L70-L73 WeakPolarHBondContact O-CB 3.42Å; L70-L73 PolarHBondContact O-N 3.06Å
71D81.9Confident84.2Confident97 Ų9776.2 Ų76.252%0.51940%0.399SS..G310 helixtrans-67.2-19.5177.2-73-52.4000113.2R68 G69 L73 R75R68-D71 WeakPolarHBondContact O-CB 3.48Å; R68-D71 PolarHBondContact O-N 3.36Å; R68-D71 VanDerWaalsContact O-N 3.15Å; G69-D71 VanDerWaalsContact C-N 3.26Å; G69-D71 PolarHBondContact O-N 3.09Å; D71-L73 PolarHBondContact O-N 3.16Å; D71-R75 PolarHBondContact O-NH1 3.14Å; D71-R75 VanDerWaalsContact O-NH1 3.14Å; D71-R75 IonicContact OD1-NH2 2.62Å; D71-R75 PolarHBondContact OD1-NH2 2.96Å; D71-R75 VanDerWaalsContact OD1-NH2 3.17Å
72G80Confident84.1Confident42 Ų4275.1 Ų75.143%0.43340%0.396SS..G310 helixtrans-72.4-11.9171.100000114.5R68 G69 L70R68-G72 PolarHBondContact O-N 3.1Å; G69-G72 PolarHBondContact O-N 3.38Å; L70-G72 PolarHBondContact O-N 3.21Å
73L85.4Confident84Confident20 Ų2071.6 Ų71.611%0.10537%0.374CS..SBendtrans-83.8143.2177.5-63.1176.2000111.3L21 L23 I63 L65 L70 D71 R75L21-L73 HydrophobicContact CD1-CD1 4.3Å; L21-L73 HydrophobicContact CD2-CB 4.19Å; L23-L73 HydrophobicContact CD2-CD1 3.89Å; I63-L73 HydrophobicContact CG2-CD2 4.47Å; L65-L73 HydrophobicContact CD2-CD1 3.93Å; L65-L73 HydrophobicContact CD2-CD2 4.34Å; L65-L73 HydrophobicContact CD2-CG 4.11Å; L70-L73 HydrophobicContact CD2-CD1 3.91Å; L70-L73 WeakPolarHBondContact O-CB 3.42Å; L70-L73 PolarHBondContact O-N 3.06Å; D71-L73 PolarHBondContact O-N 3.16Å; L73-R75 PolarHBondContact O-NH1 2.93Å
74K85.8Confident83.9Confident168 Ų16874.1 Ų74.173%0.7339%0.388SS*.EExtended strand (participates in β ladder)trans-73.8139.7179.2-68.2-172.4177.6-177.40110.3L22L22-K74 PolarHBondContact N-O 3.1Å
75R89.2Confident83.7Confident100 Ų10078.3 Ų78.338%0.37739%0.392SS..EExtended strand (participates in β ladder)trans-76.3138.9170.5-72.676.3175.4154-2.5110D19 P20 L21 D71 L73 V77D19-R75 WeakPolarHBondContact OD1-CG 3.27Å; P20-R75 CarbonylContact O-C 3.42Å; P20-R75 WeakPolarHBondContact O-CA 3.17Å; L21-R75 HydrophobicContact CD2-CG 4.45Å; D71-R75 PolarHBondContact O-NH1 3.14Å; D71-R75 VanDerWaalsContact O-NH1 3.14Å; D71-R75 IonicContact OD1-NH2 2.62Å; D71-R75 PolarHBondContact OD1-NH2 2.96Å; D71-R75 VanDerWaalsContact OD1-NH2 3.17Å; L73-R75 PolarHBondContact O-NH1 2.93Å; R75-V77 VanDerWaalsContact C-N 3.33Å; R75-V77 HydrophobicContact CB-CG2 4.45Å; R75-V77 PolarHBondContact O-N 2.79Å; R75-V77 VanDerWaalsContact O-N 3.15Å
76N87.4Confident83.9Confident31 Ų3179 Ų7917%0.16640%0.395CS..  trans-86.572.8176-166.9-16.7000110.3P20 L22 S28 T78 L79 Q80P20-N76 HydrophobicContact CB-CB 4.15Å; P20-N76 HydrophobicContact CG-CB 4.21Å; P20-N76 PolarHBondContact O-N 3.19Å; L22-N76 HydrophobicContact CB-CB 4.21Å; S28-N76 PolarHBondContact OG-ND2 3.47Å; N76-T78 PolarHBondContact O-N 3.24Å; N76-L79 HydrophobicContact CB-CB 4.1Å; N76-L79 VanDerWaalsContact CG-CB 3.49Å; N76-L79 PolarHBondContact O-N 3.36Å; N76-L79 VanDerWaalsContact O-N 3.08Å; N76-L79 PolarHBondContact OD1-N 2.88Å; N76-L79 VanDerWaalsContact OD1-N 3.16Å; N76-Q80 PolarHBondContact O-N 3.49Å; N76-Q80 VanDerWaalsContact O-N 3.12Å
77V87.8Confident84.2Confident90 Ų9079.8 Ų79.855%0.54539%0.391SS..Hα-helixtrans-57.9-31.6-177.6-176.90000112.1R75 Q80 N81R75-V77 VanDerWaalsContact C-N 3.33Å; R75-V77 HydrophobicContact CB-CG2 4.45Å; R75-V77 PolarHBondContact O-N 2.79Å; R75-V77 VanDerWaalsContact O-N 3.15Å; V77-Q80 PolarHBondContact O-N 3Å; V77-N81 WeakPolarHBondContact O-CB 3.19Å; V77-N81 VanDerWaalsContact O-CG 3.25Å; V77-N81 PolarHBondContact O-N 2.91Å; V77-N81 PolarHBondContact O-ND2 3.35Å; V77-N81 VanDerWaalsContact O-ND2 3.15Å
78T83.4Confident84.4Confident97 Ų9776.7 Ų76.760%0.59537%0.374SS*.Hα-helixtrans-63.7-46.2176-54.30000111.7N76 Q80 N81 I82N76-T78 PolarHBondContact O-N 3.24Å; T78-Q80 VanDerWaalsContact C-N 3.35Å; T78-N81 PolarHBondContact O-N 3.28Å; T78-I82 HydrophobicContact CG2-CD1 4.28Å; T78-I82 WeakPolarHBondContact O-CG1 3.05Å; T78-I82 PolarHBondContact O-N 3.13Å; T78-I82 VanDerWaalsContact O-N 3.16Å
79L88.1Confident84.3Confident23 Ų2370.6 Ų70.612%0.1237%0.366CS..Hα-helixtrans-64-41.6177.1-178.956.7000111.2L8 F17 P20 N76 N81 I82 I83L8-L79 HydrophobicContact CD2-CD1 3.77Å; F17-L79 HydrophobicContact CB-CD2 4.43Å; F17-L79 HydrophobicContact CD1-CD2 4.45Å; F17-L79 HydrophobicContact CD2-CD1 4.42Å; F17-L79 HydrophobicContact CD2-CD2 3.67Å; F17-L79 HydrophobicContact CD2-CG 4.28Å; F17-L79 HydrophobicContact CE2-CD2 3.95Å; F17-L79 HydrophobicContact CG-CD2 3.95Å; F17-L79 HydrophobicContact CZ-CD2 4.44Å; P20-L79 HydrophobicContact CB-CD2 3.83Å; P20-L79 HydrophobicContact CB-CG 4.38Å; P20-L79 HydrophobicContact CG-CB 4.22Å; P20-L79 HydrophobicContact CG-CD2 4.26Å; P20-L79 HydrophobicContact CG-CG 4.27Å; N76-L79 HydrophobicContact CB-CB 4.1Å; N76-L79 VanDerWaalsContact CG-CB 3.49Å; N76-L79 PolarHBondContact O-N 3.36Å; N76-L79 VanDerWaalsContact O-N 3.08Å; N76-L79 PolarHBondContact OD1-N 2.88Å; N76-L79 VanDerWaalsContact OD1-N 3.16Å; L79-N81 PolarHBondContact O-N 3.26Å; L79-I82 PolarHBondContact O-N 3.09Å; L79-I83 HydrophobicContact CD1-CD1 4.23Å; L79-I83 HydrophobicContact CG-CD1 4.08Å; L79-I83 WeakPolarHBondContact O-CG1 3.48Å; L79-I83 PolarHBondContact O-N 3.49Å
80Q88.2Confident83.5Confident54 Ų5472.8 Ų72.825%0.25238%0.377SS..Hα-helixtrans-57.7-47.9174.3-170.562.15900111.8P20 N76 V77 T78 I82 I83 D84P20-Q80 HydrophobicContact CG-CB 4.3Å; N76-Q80 PolarHBondContact O-N 3.49Å; N76-Q80 VanDerWaalsContact O-N 3.12Å; V77-Q80 PolarHBondContact O-N 3Å; T78-Q80 VanDerWaalsContact C-N 3.35Å; Q80-I82 VanDerWaalsContact C-N 3.26Å; Q80-I82 PolarHBondContact O-N 3.42Å; Q80-I83 PolarHBondContact O-N 3.01Å; Q80-I83 VanDerWaalsContact O-N 3.15Å; Q80-D84 PolarHBondContact NE2-OD1 3.34Å; Q80-D84 VanDerWaalsContact O-CG 3.26Å; Q80-D84 PolarHBondContact O-N 3.07Å
81N83.1Confident82.3Confident78 Ų7878.3 Ų78.342%0.41741%0.411SS..Hα-helixtrans-61-32177.8-74-35.1000113.6V77 T78 L79 R85V77-N81 WeakPolarHBondContact O-CB 3.19Å; V77-N81 VanDerWaalsContact O-CG 3.25Å; V77-N81 PolarHBondContact O-N 2.91Å; V77-N81 PolarHBondContact O-ND2 3.35Å; V77-N81 VanDerWaalsContact O-ND2 3.15Å; T78-N81 PolarHBondContact O-N 3.28Å; L79-N81 PolarHBondContact O-N 3.26Å; N81-R85 VanDerWaalsContact O-CG 3.28Å; N81-R85 WeakPolarHBondContact O-CG 3.25Å; N81-R85 PolarHBondContact O-N 2.96Å
82I84.9Confident80.9Confident78 Ų7878 Ų7840%0.442%0.417SS..Hα-helixtrans-71.5-43.7176.9-66.8164.5000109.9L8 T78 L79 Q80 R85 F86L8-I82 HydrophobicContact CD1-CG2 4.1Å; L8-I82 HydrophobicContact CD2-CG2 3.73Å; T78-I82 HydrophobicContact CG2-CD1 4.28Å; T78-I82 WeakPolarHBondContact O-CG1 3.05Å; T78-I82 PolarHBondContact O-N 3.13Å; T78-I82 VanDerWaalsContact O-N 3.16Å; L79-I82 PolarHBondContact O-N 3.09Å; Q80-I82 VanDerWaalsContact C-N 3.26Å; Q80-I82 PolarHBondContact O-N 3.42Å; I82-R85 PolarHBondContact O-N 3.23Å; I82-F86 WeakPolarHBondContact O-CB 2.84Å; I82-F86 PolarHBondContact O-N 3.3Å
83I87.8Confident79.1Confident1 Ų178.7 Ų78.71%0.00542%0.423CS..Hα-helixtrans-62.1-44.4177.4-68167.2000110.6L8 L16 F17 L79 Q80 R85 F86 Q87L8-I83 HydrophobicContact CB-CG1 4.3Å; L8-I83 HydrophobicContact CD1-CG1 4.47Å; L8-I83 HydrophobicContact CD2-CG1 4.31Å; L16-I83 HydrophobicContact CB-CG2 4.35Å; L16-I83 HydrophobicContact CD1-CG2 4.45Å; F17-I83 HydrophobicContact CB-CD1 3.55Å; F17-I83 HydrophobicContact CD2-CD1 4.31Å; F17-I83 HydrophobicContact CG-CD1 4.43Å; F17-I83 WeakPolarHBondContact O-CD1 3.44Å; L79-I83 HydrophobicContact CD1-CD1 4.23Å; L79-I83 HydrophobicContact CG-CD1 4.08Å; L79-I83 WeakPolarHBondContact O-CG1 3.48Å; L79-I83 PolarHBondContact O-N 3.49Å; Q80-I83 PolarHBondContact O-N 3.01Å; Q80-I83 VanDerWaalsContact O-N 3.15Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 3.39Å; I83-F86 WeakPolarHBondContact O-CB 3.46Å; I83-F86 PolarHBondContact O-N 3.28Å; I83-F86 VanDerWaalsContact O-N 3.17Å; I83-Q87 HydrophobicContact CG2-CG 4.38Å; I83-Q87 WeakPolarHBondContact O-CG 3.46Å; I83-Q87 PolarHBondContact O-N 3.01Å
84D84.8Confident77Confident53 Ų5384.4 Ų84.428%0.28346%0.462SS..Hα-helixtrans-60.3-39.5177.7-65-4.3000112.1Q80 K88Q80-D84 PolarHBondContact NE2-OD1 3.34Å; Q80-D84 VanDerWaalsContact O-CG 3.26Å; Q80-D84 PolarHBondContact O-N 3.07Å; D84-K88 WeakPolarHBondContact O-CB 3.43Å; D84-K88 WeakPolarHBondContact O-CD 3.32Å; D84-K88 WeakPolarHBondContact O-CG 3.36Å; D84-K88 PolarHBondContact O-N 3.42Å; D84-K88 VanDerWaalsContact O-N 3.08Å
85R83.4Confident74.7Confident190 Ų19083.8 Ų83.872%0.71747%0.466SS*.Hα-helixtrans-70.7-40.1176.4-72.3174.1-174.3-1701.9111.9N81 I82 I83 K88 A89N81-R85 VanDerWaalsContact O-CG 3.28Å; N81-R85 WeakPolarHBondContact O-CG 3.25Å; N81-R85 PolarHBondContact O-N 2.96Å; I82-R85 PolarHBondContact O-N 3.23Å; I83-R85 VanDerWaalsContact C-N 3.3Å; I83-R85 PolarHBondContact O-N 3.39Å; R85-K88 PolarHBondContact O-N 3.06Å; R85-A89 WeakPolarHBondContact O-CB 3.29Å; R85-A89 PolarHBondContact O-N 3.44Å
86F85.6Confident72Confident26 Ų2684.4 Ų84.411%0.11449%0.486CS..Hα-helixtrans-59.4-52.5175.8178.8-102.1000110L4 E5 L8 L16 I82 I83 K88 A89 S90L4-F86 HydrophobicContact CD2-CD2 4.12Å; L4-F86 HydrophobicContact CD2-CE2 4.35Å; E5-F86 HydrophobicContact CB-CE1 4.49Å; E5-F86 HydrophobicContact CB-CZ 3.92Å; E5-F86 HydrophobicContact CG-CE1 4.23Å; E5-F86 HydrophobicContact CG-CZ 4.1Å; L8-F86 HydrophobicContact CD1-CB 3.99Å; L8-F86 HydrophobicContact CD1-CD1 4.31Å; L8-F86 HydrophobicContact CD1-CD2 4.22Å; L8-F86 HydrophobicContact CD1-CG 3.92Å; L16-F86 HydrophobicContact CD1-CD1 4.24Å; L16-F86 HydrophobicContact CD1-CE1 4.33Å; L16-F86 HydrophobicContact CD2-CD1 4.45Å; L16-F86 HydrophobicContact CD2-CE1 4.38Å; I82-F86 WeakPolarHBondContact O-CB 2.84Å; I82-F86 PolarHBondContact O-N 3.3Å; I83-F86 WeakPolarHBondContact O-CB 3.46Å; I83-F86 PolarHBondContact O-N 3.28Å; I83-F86 VanDerWaalsContact O-N 3.17Å; F86-K88 PolarHBondContact O-N 2.89Å; F86-A89 WeakPolarHBondContact O-CB 3.47Å; F86-A89 PolarHBondContact O-N 3.42Å; F86-A89 VanDerWaalsContact O-N 3.08Å; F86-S90 PolarHBondContact O-N 3.45Å; F86-S90 PolarHBondContact O-OG 2.81Å
87Q83.6Confident70Confident88 Ų8887.8 Ų87.841%0.41151%0.51SS..Hα-helixtrans-59-42.7177.8-70.6174.6-1900112.6L16 I83 A89 S90 V91L16-Q87 HydrophobicContact CD1-CG 4.13Å; I83-Q87 HydrophobicContact CG2-CG 4.38Å; I83-Q87 WeakPolarHBondContact O-CG 3.46Å; I83-Q87 PolarHBondContact O-N 3.01Å; Q87-A89 VanDerWaalsContact C-N 3.31Å; Q87-A89 PolarHBondContact O-N 2.89Å; Q87-S90 PolarHBondContact O-N 3.36Å; Q87-V91 VanDerWaalsContact O-CG2 3.26Å; Q87-V91 WeakPolarHBondContact O-CG2 3.3Å; Q87-V91 PolarHBondContact O-N 3.03Å; Q87-V91 VanDerWaalsContact O-N 3.09Å
88K78.6Confident68Low145 Ų14588.6 Ų88.663%0.6352%0.519SS*.Hα-helixtrans-61.8-37.8175.5-75.1169.7-174.5175.40112.7D84 R85 F86 S92D84-K88 WeakPolarHBondContact O-CB 3.43Å; D84-K88 WeakPolarHBondContact O-CD 3.32Å; D84-K88 WeakPolarHBondContact O-CG 3.36Å; D84-K88 PolarHBondContact O-N 3.42Å; D84-K88 VanDerWaalsContact O-N 3.08Å; R85-K88 PolarHBondContact O-N 3.06Å; F86-K88 PolarHBondContact O-N 2.89Å; K88-S92 PolarHBondContact O-OG 2.97Å
89A72.6Confident65.6Low69 Ų6993.3 Ų93.357%0.5754%0.535SS*.Hα-helixtrans-70.7-34.7175.300000112.2R85 F86 Q87 S92R85-A89 WeakPolarHBondContact O-CB 3.29Å; R85-A89 PolarHBondContact O-N 3.44Å; F86-A89 WeakPolarHBondContact O-CB 3.47Å; F86-A89 PolarHBondContact O-N 3.42Å; F86-A89 VanDerWaalsContact O-N 3.08Å; Q87-A89 VanDerWaalsContact C-N 3.31Å; Q87-A89 PolarHBondContact O-N 2.89Å; A89-S92 PolarHBondContact O-N 3.27Å
90S66.9Low63Low69 Ų6997.4 Ų97.448%0.48356%0.561SS.*Hα-helixtrans-69.1-30.9177.7-47.80000113.6F86 Q87F86-S90 PolarHBondContact O-N 3.45Å; F86-S90 PolarHBondContact O-OG 2.81Å; Q87-S90 PolarHBondContact O-N 3.36Å
91V60.5Low60.6Low126 Ų126106.7 Ų106.776%0.76459%0.593SS**Hα-helixtrans-84.3-12.2-179.3-178.80000112.2Q87 G93Q87-V91 VanDerWaalsContact O-CG2 3.26Å; Q87-V91 WeakPolarHBondContact O-CG2 3.3Å; Q87-V91 PolarHBondContact O-N 3.03Å; Q87-V91 VanDerWaalsContact O-N 3.09Å; V91-G93 PolarHBondContact O-N 2.98Å; V91-G93 VanDerWaalsContact O-N 3.16Å
92S51.2Low58.2Low91 Ų91113.4 Ų113.464%0.63661%0.613SS**  trans-86.479.4177.8-54.20000110.9K88 A89K88-S92 PolarHBondContact O-OG 2.97Å; A89-S92 PolarHBondContact O-N 3.27Å
93G42.8Very low55.7Low55 Ų55118.8 Ų118.857%0.56764%0.636SS**  trans-66.5164175.500000113.8V91 N95V91-G93 PolarHBondContact O-N 2.98Å; V91-G93 VanDerWaalsContact O-N 3.16Å; G93-N95 PolarHBondContact O-N 3.36Å
94P42.2Very low52.8Low140 Ų140130 Ų13091%0.90968%0.679SS**SBendtrans-72.711.6-166.1-15.330.1000117.3
95N37.1Very low50.3Low155 Ų155132 Ų13283%0.82970%0.702SS**  trans-122.7108.9-175.7-85.8-17.2000113.1G93G93-N95 PolarHBondContact O-N 3.36Å
96S32.2Very low47.7Very low113 Ų113131.6 Ų131.679%0.7971%0.706SS**SBendtrans89144.9155.9-143.40000118.5
97P44.7Very low44.8Very low102 Ų102138.6 Ų138.666%0.66275%0.745SS**  -121.2163.3-61.733-19.1000110.8E99P97-E99 PolarHBondContact O-N 2.94Å; P97-E99 VanDerWaalsContact O-N 3.09Å
98S46.1Very low42.8Very low107 Ų107138 Ų13875%0.74875%0.754SS**  trans-45.2107.7169.622.40000113.1T100S98-T100 PolarHBondContact O-N 3.42Å
99E32.7Very low40.7Very low197 Ų197138 Ų13892%0.92176%0.761SS**  trans-73.883.9158.9-80.6-119.8141.700108.7P97 R101P97-E99 PolarHBondContact O-N 2.94Å; P97-E99 VanDerWaalsContact O-N 3.09Å; E99-R101 PolarHBondContact O-N 3.39Å
100T33.4Very low38.7Very low108 Ų108141.5 Ų141.566%0.66378%0.776SS**  trans-56.4118152.232.90000108S98 R102S98-T100 PolarHBondContact O-N 3.42Å; T100-R102 VanDerWaalsContact C-N 3.34Å; T100-R102 PolarHBondContact O-N 3.12Å
101R39.3Very low37.2Very low250 Ų250146 Ų14694%0.94379%0.791SS**  trans-49.493.9168.1-172.8-174.9-131-139.82.2109.7E99E99-R101 PolarHBondContact O-N 3.39Å
102R31.5Very low35.8Very low219 Ų219146.4 Ų146.483%0.82679%0.794SS**  trans-91.4119.6162.8-85.9-176.8174.4179.9-1.5108.3T100 R104T100-R102 VanDerWaalsContact C-N 3.34Å; T100-R102 PolarHBondContact O-N 3.12Å; R102-R104 PolarHBondContact O-N 3.23Å
103E32.8Very low35Very low191 Ų191146.4 Ų146.489%0.89379%0.794SS**  trans-46.7131.4158.1-66.6166.5152.900109.6
104R27Very low35.1Very low237 Ų237148.2 Ų148.289%0.89480%0.804SS**  trans-137.5125.2158.5-127.2-175.9-79.1-175.5-1.1108.9R102R102-R104 PolarHBondContact O-N 3.23Å
105A32.5Very low36Very low94 Ų94148.6 Ų148.678%0.77779%0.793SS**  trans-64.5153.3176.200000111.8
106F27.9Very low37.6Very low182 Ų182148.4 Ų148.480%0.79879%0.785SS**  trans-8.2134.2165.7-88.4-103.3000118.4
107D26Very low40Very low173 Ų173144.1 Ų144.193%0.92575%0.754SS**  -142.9140.5116.5-101.7-32.5000111.8
108A40Very low42Very low74 Ų74143.4 Ų143.461%0.61274%0.744SS**  trans-89.7128.4-166.800000112.1
109N35.3Very low43.8Very low146 Ų146138.6 Ų138.678%0.78171%0.711SS**  171.295.5127.9-110.8-10000110.1
110T31Very low45.8Very low142 Ų142133.2 Ų133.287%0.87169%0.685SS**  trans-155.2105.1143.8-59.50000106.1T112T110-T112 PolarHBondContact O-N 2.96Å
111M34.8Very low47.6Very low164 Ų164133.6 Ų133.681%0.80868%0.678SS**  trans-70.6118-177.8-63.1-163.689.900111
112T31.9Very low49.6Very low135 Ų135123 Ų12383%0.82864%0.642SS**  trans-127.5101.513848.20000105T110 A114T110-T112 PolarHBondContact O-N 2.96Å; T112-A114 PolarHBondContact O-N 3Å; T112-A114 VanDerWaalsContact O-N 3.12Å
113S34.8Very low51.3Low91 Ų91121 Ų12164%0.63665%0.648SS**  trans-61.1115.117959.20000109E115S113-E115 PolarHBondContact O-N 2.89Å
114A45.1Very low52.8Low92 Ų92117.1 Ų117.176%0.7663%0.629SS**  trans-60.6109.4152.100000105.6T112 K116T112-A114 PolarHBondContact O-N 3Å; T112-A114 VanDerWaalsContact O-N 3.12Å; A114-K116 PolarHBondContact O-N 3.08Å; A114-K116 VanDerWaalsContact O-N 3.1Å
115E59.7Low54.4Low148 Ų148113.6 Ų113.669%0.69263%0.629SS**PPolyproline II helixtrans-53.5118.7178.8-74.1178.8153.800108.9S113 V117S113-E115 PolarHBondContact O-N 2.89Å; E115-V117 PolarHBondContact O-N 2.99Å
116K71.2Confident55.8Low152 Ų152114.3 Ų114.366%0.66163%0.625SS**PPolyproline II helixtrans-70.2119.4175.1-68-175.6172.1-163.50108.1A114 L118 D129A114-K116 PolarHBondContact O-N 3.08Å; A114-K116 VanDerWaalsContact O-N 3.1Å; K116-L118 PolarHBondContact O-N 3.32Å; K116-D129 IonicContact NZ-OD2 3.62Å
117V83.3Confident58.2Low22 Ų22107.1 Ų107.113%0.13360%0.599CS.*PPolyproline II helixtrans-74.6122.6178.4-176.50000108.4E115 A130 P164 P166E115-V117 PolarHBondContact O-N 2.99Å; V117-A130 HydrophobicContact CB-CB 4.46Å; V117-A130 HydrophobicContact CG1-CB 4.17Å; V117-A130 WeakPolarHBondContact O-CB 3.29Å; V117-A130 PolarHBondContact O-N 3.24Å; V117-P164 HydrophobicContact CB-CB 3.94Å; V117-P164 HydrophobicContact CG1-CB 4.3Å; V117-P164 HydrophobicContact CG2-CB 4.25Å; V117-P166 HydrophobicContact CG2-CB 4.38Å; V117-P166 HydrophobicContact CG2-CG 3.82Å
118L85Confident61Low88 Ų88102.3 Ų102.346%0.46157%0.571SS.*BIsolated β-bridgetrans-91.3153.7-178.3-58.1178.4000111.6K116K116-L118 PolarHBondContact O-N 3.32Å
119C84.1Confident63.3Low6 Ų6102.6 Ų102.64%0.04156%0.562CS.*PPolyproline II helixtrans-70131173.5-178.30000110.8F121 C122 A127 Q128 S140 C142C119-F121 PolarHBondContact SG-N 3.31Å; C119-C122 HydrophobicContact CB-CB 4.47Å; C119-C122 PolarHBondContact SG-SG 3.17Å; C119-A127 WeakPolarHBondContact O-CB 3.16Å; C119-Q128 WeakPolarHBondContact CB-O 3.38Å; C119-Q128 PolarHBondContact N-O 2.81Å; C119-S140 WeakPolarHBondContact CA-O 3.33Å; C119-C142 HydrophobicContact CB-CB 3.77Å; C119-C142 PolarHBondContact SG-N 3.35Å
120Q75.2Confident65.7Low83 Ų8396.2 Ų96.239%0.38853%0.53SS..SBendtrans-93.92.3-178.2-67.9158-7.300113.6V139 S140 D167Q120-V139 HydrophobicContact CB-CG1 4.18Å; Q120-S140 PolarHBondContact N-O 3.25Å; Q120-S140 VanDerWaalsContact N-O 3.07Å; Q120-D167 PolarHBondContact NE2-OD1 3.29Å; Q120-D167 PolarHBondContact NE2-OD2 2.91Å
121F71.7Confident68.5Low117 Ų11792.3 Ų92.351%0.51351%0.506SS..SBendtrans-125.211-172.8-141.1-94.1000112.3C119 Y141 C145 T149C119-F121 PolarHBondContact SG-N 3.31Å; F121-Y141 HydrophobicContact CB-CD1 4.04Å; F121-Y141 HydrophobicContact CB-CE1 4.1Å; F121-Y141 HydrophobicContact CD2-CE1 4.26Å; F121-Y141 HydrophobicContact CG-CE1 4.15Å; F121-C145 HydrophobicContact CB-CB 4.07Å; F121-C145 PolarHBondContact O-SG 3.38Å; F121-T149 HydrophobicContact CD1-CG2 3.78Å; F121-T149 HydrophobicContact CE1-CG2 3.57Å; F121-T149 HydrophobicContact CG-CG2 4.44Å; F121-T149 HydrophobicContact CZ-CG2 4.08Å
122C81.9Confident70.7Confident26 Ų2688.3 Ų88.318%0.17648%0.484CS..  trans-83.4133.8174.9-78.50000110.4C119 Q124 A127 C142 C145C119-C122 HydrophobicContact CB-CB 4.47Å; C119-C122 PolarHBondContact SG-SG 3.17Å; C122-Q124 VanDerWaalsContact C-N 3.26Å; C122-A127 HydrophobicContact CB-CB 4.19Å; C122-C142 PolarHBondContact SG-SG 3.29Å; C122-C145 VanDerWaalsContact SG-SG 3.69Å
123D65.8Low73Confident178 Ų17881.9 Ų81.995%0.95244%0.444SS*.  trans-86.74.9168.7-64.5-34.8000112.6
124Q64Low74.9Confident109 Ų10977.5 Ų77.551%0.50941%0.414SS..SBendtrans-96142180-64.8176.912.600111.3C122 P126 A127 Q128C122-Q124 VanDerWaalsContact C-N 3.26Å; Q124-P126 CarbonylContact O-C 3.31Å; Q124-P126 VanDerWaalsContact O-C 3.31Å; Q124-A127 WeakPolarHBondContact O-CA 3.35Å; Q124-A127 PolarHBondContact O-N 3.17Å; Q124-Q128 VanDerWaalsContact OE1-NE2 3.17Å
125D61Low76Confident164 Ų16475.6 Ų75.688%0.87739%0.393SS*.SBendtrans-116.1117.8175-172.412.6000110.6
126P62.1Low76Confident108 Ų10872.1 Ų72.170%0.70138%0.382SS*.SBendcis-77.3149.70.531.3-33.8000113.1Q124Q124-P126 CarbonylContact O-C 3.31Å; Q124-P126 VanDerWaalsContact O-C 3.31Å
127A78Confident75.7Confident31 Ų3167 Ų6726%0.25637%0.365SS..PPolyproline II helixtrans-59.6142.9176.900000111.6C119 C122 Q124C119-A127 WeakPolarHBondContact O-CB 3.16Å; C122-A127 HydrophobicContact CB-CB 4.19Å; Q124-A127 WeakPolarHBondContact O-CA 3.35Å; Q124-A127 PolarHBondContact O-N 3.17Å
128Q84.4Confident75.1Confident73 Ų7371 Ų7134%0.34138%0.382SS..PPolyproline II helixtrans-73.4156.5-177.4-65.2-174.10.600112.6C119 Q124 A130 C142C119-Q128 WeakPolarHBondContact CB-O 3.38Å; C119-Q128 PolarHBondContact N-O 2.81Å; Q124-Q128 VanDerWaalsContact OE1-NE2 3.17Å; Q128-A130 PolarHBondContact O-N 2.98Å; Q128-C142 HydrophobicContact CB-CB 3.87Å
129D89.3Confident74.5Confident79 Ų7968.2 Ų68.242%0.42237%0.368SS..BIsolated β-bridgetrans-59.1132.4173.5-71.8-19.2000110.7K116 C142K116-D129 IonicContact NZ-OD2 3.62Å; D129-C142 WeakPolarHBondContact O-CB 3.27Å
130A86.3Confident74.4Confident12 Ų1267.9 Ų67.910%0.09937%0.366CS..PPolyproline II helixtrans-71.1138.2175.500000110.4V117 Q128 Y141 P164V117-A130 HydrophobicContact CB-CB 4.46Å; V117-A130 HydrophobicContact CG1-CB 4.17Å; V117-A130 WeakPolarHBondContact O-CB 3.29Å; V117-A130 PolarHBondContact O-N 3.24Å; Q128-A130 PolarHBondContact O-N 2.98Å; A130-Y141 CarbonylContact C-O 3.51Å; A130-Y141 WeakPolarHBondContact CA-O 3.41Å; A130-P164 HydrophobicContact CB-CB 4.22Å; A130-P164 HydrophobicContact CB-CG 4.48Å; A130-P164 WeakPolarHBondContact O-CG 3.39Å
131V88.4Confident74.7Confident61 Ų6164.5 Ų64.537%0.3735%0.35SS..SBendtrans-104-24177.4-58.90000112.4Y141 D143 L146 P164V131-Y141 PolarHBondContact N-O 2.97Å; V131-D143 HydrophobicContact CG1-CB 4.26Å; V131-D143 HydrophobicContact CG2-CB 3.95Å; V131-L146 HydrophobicContact CG2-CD2 4.36Å; V131-P164 VanDerWaalsContact C-CG 3.44Å; V131-P164 WeakPolarHBondContact O-CD 3.39Å; V131-P164 WeakPolarHBondContact O-CG 3.34Å
132K82.1Confident75.5Confident79 Ų7959 Ų5934%0.34333%0.326SS..EExtended strand (participates in β ladder)trans-148.1146.3175.4-65.5-64.7173.3-172.20111.5Y141 L146 L161 I162K132-Y141 PolarHBondContact N-O 3Å; K132-Y141 PolarHBondContact O-N 2.77Å; K132-L146 HydrophobicContact CB-CD2 3.94Å; K132-L146 HydrophobicContact CG-CD2 3.86Å; K132-L161 HydrophobicContact CB-CB 4.38Å; K132-L161 HydrophobicContact CB-CD2 4.43Å; K132-I162 WeakPolarHBondContact CA-O 3.5Å; K132-I162 VanDerWaalsContact CD-O 3.25Å; K132-I162 WeakPolarHBondContact CD-O 3.46Å
133T79.3Confident75.7Confident0 Ų061.3 Ų61.30%034%0.337CS..EExtended strand (participates in β ladder)trans-102.4128.6165.3-60.30000109.2S140 L161 I162 P164 I165 I170T133-S140 PolarHBondContact OG1-OG 3.48Å; T133-L161 CarbonylContact O-C 3.53Å; T133-L161 WeakPolarHBondContact O-CA 3.45Å; T133-I162 PolarHBondContact N-O 3.23Å; T133-I162 PolarHBondContact O-N 3.2Å; T133-P164 WeakPolarHBondContact OG1-CA 3.49Å; T133-I165 PolarHBondContact OG1-N 3.42Å; T133-I165 VanDerWaalsContact OG1-N 3.07Å; T133-I170 HydrophobicContact CG2-CD1 3.31Å; T133-I170 HydrophobicContact CG2-CG1 3.88Å
134C75.8Confident76.5Confident0 Ų058.6 Ų58.60%032%0.319CS..EExtended strand (participates in β ladder)trans-86.9109.5168.2-174.70000109.3T136 C137 E138 V139 Y141 H150 L161C134-T136 PolarHBondContact O-N 3.28Å; C134-C137 HydrophobicContact CB-CB 4.04Å; C134-C137 PolarHBondContact O-N 3.48Å; C134-C137 PolarHBondContact SG-N 3.48Å; C134-C137 VanDerWaalsContact SG-N 3.41Å; C134-E138 WeakPolarHBondContact O-CA 3.3Å; C134-E138 PolarHBondContact O-N 2.87Å; C134-V139 PolarHBondContact N-O 3.46Å; C134-V139 PolarHBondContact O-N 3.27Å; C134-Y141 HydrophobicContact CB-CD2 4.29Å; C134-Y141 HydrophobicContact CB-CE2 3.74Å; C134-H150 PolarHBondContact SG-NE2 3.36Å; C134-H150 VanDerWaalsContact SG-NE2 3.38Å; C134-L161 HydrophobicContact CB-CD2 3.58Å
135V67.5Low77.3Confident52 Ų5254.2 Ų54.232%0.31530%0.3SS..THydrogen-bonded Turntrans-71.1-15.8177.6-63.20000112.8R160 I162V135-R160 HydrophobicContact CG2-CB 3.69Å; V135-R160 HydrophobicContact CG2-CG 3.91Å; V135-R160 WeakPolarHBondContact CG2-O 3.3Å; V135-R160 PolarHBondContact N-O 3.12Å; V135-I162 HydrophobicContact CG1-CD1 3.33Å; V135-I162 HydrophobicContact CG1-CG1 3.82Å
136T60.2Low78.4Confident74 Ų7447.3 Ų47.345%0.45426%0.262SS..THydrogen-bonded Turntrans-81.1-32.7176.1-48.70000111.8C134 R160C134-T136 PolarHBondContact O-N 3.28Å; T136-R160 PolarHBondContact OG1-N 3.5Å; T136-R160 VanDerWaalsContact OG1-N 3.13Å
137C64.6Low79.3Confident46 Ų4648.4 Ų48.431%0.31126%0.256SS..THydrogen-bonded Turntrans-97.2-10.3175.9-62.50000113.2C134 V139 H150 H159C134-C137 HydrophobicContact CB-CB 4.04Å; C134-C137 PolarHBondContact O-N 3.48Å; C134-C137 PolarHBondContact SG-N 3.48Å; C134-C137 VanDerWaalsContact SG-N 3.41Å; C137-V139 HydrophobicContact CB-CB 4.45Å; C137-V139 WeakPolarHBondContact O-CG2 3.34Å; C137-V139 PolarHBondContact O-N 2.99Å; C137-H150 PolarHBondContact SG-NE2 3.32Å; C137-H150 VanDerWaalsContact SG-NE2 3.38Å; C137-H159 PolarHBondContact SG-CE1 3.33Å; C137-H159 PolarHBondContact SG-ND1 3Å
138E69.4Low79.3Confident104 Ų10450.7 Ų50.749%0.48628%0.275SS..THydrogen-bonded Turntrans55.834.8-173.4-56.9-176.3-174.100113.7C134 I170C134-E138 WeakPolarHBondContact O-CA 3.3Å; C134-E138 PolarHBondContact O-N 2.87Å; E138-I170 HydrophobicContact CB-CG2 4Å; E138-I170 HydrophobicContact CG-CG2 4.14Å
139V72.4Confident78.3Confident30 Ų3048.6 Ų48.618%0.18227%0.267CS..EExtended strand (participates in β ladder)trans-132.1140.5-174.5172.30000110.9Q120 C134 C137 Y141Q120-V139 HydrophobicContact CB-CG1 4.18Å; C134-V139 PolarHBondContact N-O 3.46Å; C134-V139 PolarHBondContact O-N 3.27Å; C137-V139 HydrophobicContact CB-CB 4.45Å; C137-V139 WeakPolarHBondContact O-CG2 3.34Å; C137-V139 PolarHBondContact O-N 2.99Å; V139-Y141 HydrophobicContact CB-CE1 4.38Å; V139-Y141 HydrophobicContact CB-CE2 3.84Å; V139-Y141 HydrophobicContact CG1-CD1 4.1Å; V139-Y141 HydrophobicContact CG1-CD2 4.27Å; V139-Y141 HydrophobicContact CG1-CE1 3.57Å; V139-Y141 HydrophobicContact CG1-CE2 3.78Å; V139-Y141 HydrophobicContact CG1-CG 4.42Å; V139-Y141 WeakPolarHBondContact O-CD2 3.37Å; V139-Y141 WeakPolarHBondContact O-CE2 3.42Å
140S82.6Confident77.3Confident0 Ų045.8 Ų45.80%025%0.252CS..EExtended strand (participates in β ladder)trans-96.8128.2174.9-67.60000111.1C119 Q120 T133C119-S140 WeakPolarHBondContact CA-O 3.33Å; Q120-S140 PolarHBondContact N-O 3.25Å; Q120-S140 VanDerWaalsContact N-O 3.07Å; T133-S140 PolarHBondContact OG1-OG 3.48Å
141Y82.1Confident76.6Confident11 Ų1147.9 Ų47.94%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-120.2139.2-173.3-59.3-82.9000111.7F121 A130 V131 K132 C134 V139 C145 L146 T149 H150F121-Y141 HydrophobicContact CB-CD1 4.04Å; F121-Y141 HydrophobicContact CB-CE1 4.1Å; F121-Y141 HydrophobicContact CD2-CE1 4.26Å; F121-Y141 HydrophobicContact CG-CE1 4.15Å; A130-Y141 CarbonylContact C-O 3.51Å; A130-Y141 WeakPolarHBondContact CA-O 3.41Å; V131-Y141 PolarHBondContact N-O 2.97Å; K132-Y141 PolarHBondContact N-O 3Å; K132-Y141 PolarHBondContact O-N 2.77Å; C134-Y141 HydrophobicContact CB-CD2 4.29Å; C134-Y141 HydrophobicContact CB-CE2 3.74Å; V139-Y141 HydrophobicContact CB-CE1 4.38Å; V139-Y141 HydrophobicContact CB-CE2 3.84Å; V139-Y141 HydrophobicContact CG1-CD1 4.1Å; V139-Y141 HydrophobicContact CG1-CD2 4.27Å; V139-Y141 HydrophobicContact CG1-CE1 3.57Å; V139-Y141 HydrophobicContact CG1-CE2 3.78Å; V139-Y141 HydrophobicContact CG1-CG 4.42Å; V139-Y141 WeakPolarHBondContact O-CD2 3.37Å; V139-Y141 WeakPolarHBondContact O-CE2 3.42Å; Y141-C145 HydrophobicContact CD1-CB 4.16Å; Y141-L146 HydrophobicContact CD2-CD1 3.99Å; Y141-L146 HydrophobicContact CG-CB 4.44Å; Y141-L146 HydrophobicContact CG-CD1 4.25Å; Y141-T149 HydrophobicContact CE1-CG2 4.08Å; Y141-T149 WeakPolarHBondContact CE1-OG1 3.41Å; Y141-H150 AromaticContact CE2-CE1 3.59Å; Y141-H150 AromaticContact CZ-CE1 3.68Å
142C87.3Confident75.4Confident1 Ų152.8 Ų52.81%0.00729%0.288CS..  trans-69.6167.2158.874.40000109.8C119 C122 Q128 D129 E144 C145 L146C119-C142 HydrophobicContact CB-CB 3.77Å; C119-C142 PolarHBondContact SG-N 3.35Å; C122-C142 PolarHBondContact SG-SG 3.29Å; Q128-C142 HydrophobicContact CB-CB 3.87Å; D129-C142 WeakPolarHBondContact O-CB 3.27Å; C142-E144 PolarHBondContact O-N 3.11Å; C142-C145 PolarHBondContact O-N 3.44Å; C142-C145 PolarHBondContact SG-N 3.32Å; C142-C145 VanDerWaalsContact SG-N 3.43Å; C142-L146 WeakPolarHBondContact O-CB 3.44Å; C142-L146 PolarHBondContact O-N 3.37Å
143D87.4Confident74.4Confident76 Ų7656.8 Ų56.841%0.40631%0.306SS..Hα-helixtrans-59.2-36-175.3-174.356.3000112.7V131 K147V131-D143 HydrophobicContact CG1-CB 4.26Å; V131-D143 HydrophobicContact CG2-CB 3.95Å; D143-K147 WeakPolarHBondContact O-CD 3.16Å; D143-K147 WeakPolarHBondContact O-CG 3.4Å; D143-K147 PolarHBondContact O-N 3.5Å; D143-K147 VanDerWaalsContact OD1-CE 3.31Å; D143-K147 WeakPolarHBondContact OD1-CE 3.45Å; D143-K147 IonicContact OD1-NZ 3.38Å; D143-K147 PolarHBondContact OD1-NZ 3.16Å; D143-K147 WeakPolarHBondContact OD2-CE 3.35Å; D143-K147 IonicContact OD2-NZ 2.63Å; D143-K147 PolarHBondContact OD2-NZ 3.26Å
144E82.9Confident72.8Confident121 Ų12165.5 Ų65.557%0.56534%0.344SS*.Hα-helixtrans-71.1-52-179.7-166.5172.5-17000111.9C142 L146 K147 A148C142-E144 PolarHBondContact O-N 3.11Å; E144-L146 VanDerWaalsContact C-N 3.28Å; E144-L146 PolarHBondContact O-N 3.02Å; E144-K147 PolarHBondContact O-N 3.2Å; E144-A148 PolarHBondContact O-N 2.97Å; E144-A148 VanDerWaalsContact O-N 3.08Å
145C80.4Confident71.6Confident17 Ų1770.2 Ų70.212%0.11537%0.374CS..Hα-helixtrans-65.8-31177.8-63.10000112.4F121 C122 Y141 C142 A148 T149F121-C145 HydrophobicContact CB-CB 4.07Å; F121-C145 PolarHBondContact O-SG 3.38Å; C122-C145 VanDerWaalsContact SG-SG 3.69Å; Y141-C145 HydrophobicContact CD1-CB 4.16Å; C142-C145 PolarHBondContact O-N 3.44Å; C142-C145 PolarHBondContact SG-N 3.32Å; C142-C145 VanDerWaalsContact SG-N 3.43Å; C145-A148 PolarHBondContact O-N 3.1Å; C145-T149 WeakPolarHBondContact O-CB 3.45Å; C145-T149 WeakPolarHBondContact O-CG2 3.44Å; C145-T149 PolarHBondContact O-N 3.43Å; C145-T149 PolarHBondContact O-OG1 3.3Å
146L82.9Confident71Confident18 Ų1871.6 Ų71.69%0.09438%0.376CS..Hα-helixtrans-63.9-47.5174.7-178.365.9000110.9V131 K132 Y141 C142 E144 A148 T149 H150 L161V131-L146 HydrophobicContact CG2-CD2 4.36Å; K132-L146 HydrophobicContact CB-CD2 3.94Å; K132-L146 HydrophobicContact CG-CD2 3.86Å; Y141-L146 HydrophobicContact CD2-CD1 3.99Å; Y141-L146 HydrophobicContact CG-CB 4.44Å; Y141-L146 HydrophobicContact CG-CD1 4.25Å; C142-L146 WeakPolarHBondContact O-CB 3.44Å; C142-L146 PolarHBondContact O-N 3.37Å; E144-L146 VanDerWaalsContact C-N 3.28Å; E144-L146 PolarHBondContact O-N 3.02Å; L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A148 PolarHBondContact O-N 3.47Å; L146-T149 PolarHBondContact O-N 3.39Å; L146-H150 HydrophobicContact CD1-CB 4.21Å; L146-H150 CarbonylContact O-C 3.56Å; L146-H150 WeakPolarHBondContact O-CA 3.34Å; L146-H150 WeakPolarHBondContact O-CB 3.33Å; L146-H150 PolarHBondContact O-N 2.93Å; L146-L161 HydrophobicContact CD1-CD1 3.9Å; L146-L161 HydrophobicContact CD1-CD2 3.61Å; L146-L161 HydrophobicContact CD1-CG 4.43Å; L146-L161 HydrophobicContact CD2-CD1 4.28Å
147K81.4Confident70.9Confident132 Ų13272.2 Ų72.257%0.57438%0.38SS*.Hα-helixtrans-66.6-33.7178.9-73167.1-178.6166.40112.4D143 E144D143-K147 WeakPolarHBondContact O-CD 3.16Å; D143-K147 WeakPolarHBondContact O-CG 3.4Å; D143-K147 PolarHBondContact O-N 3.5Å; D143-K147 VanDerWaalsContact OD1-CE 3.31Å; D143-K147 WeakPolarHBondContact OD1-CE 3.45Å; D143-K147 IonicContact OD1-NZ 3.38Å; D143-K147 PolarHBondContact OD1-NZ 3.16Å; D143-K147 WeakPolarHBondContact OD2-CE 3.35Å; D143-K147 IonicContact OD2-NZ 2.63Å; D143-K147 PolarHBondContact OD2-NZ 3.26Å; E144-K147 PolarHBondContact O-N 3.2Å
148A78.8Confident70.5Confident79 Ų7973.1 Ų73.165%0.65340%0.397SS*.Hα-helixtrans-70.3-40.4177.700000112.6E144 C145 L146E144-A148 PolarHBondContact O-N 2.97Å; E144-A148 VanDerWaalsContact O-N 3.08Å; C145-A148 PolarHBondContact O-N 3.1Å; L146-A148 VanDerWaalsContact C-N 3.31Å; L146-A148 PolarHBondContact O-N 3.47Å
149T62.5Low70.3Confident28 Ų2870.7 Ų70.717%0.17239%0.385CS..Hα-helixtrans-93.8-27.2-175.5590000113.8F121 Y141 C145 L146 P151F121-T149 HydrophobicContact CD1-CG2 3.78Å; F121-T149 HydrophobicContact CE1-CG2 3.57Å; F121-T149 HydrophobicContact CG-CG2 4.44Å; F121-T149 HydrophobicContact CZ-CG2 4.08Å; Y141-T149 HydrophobicContact CE1-CG2 4.08Å; Y141-T149 WeakPolarHBondContact CE1-OG1 3.41Å; C145-T149 WeakPolarHBondContact O-CB 3.45Å; C145-T149 WeakPolarHBondContact O-CG2 3.44Å; C145-T149 PolarHBondContact O-N 3.43Å; C145-T149 PolarHBondContact O-OG1 3.3Å; L146-T149 PolarHBondContact O-N 3.39Å; T149-P151 WeakPolarHBondContact O-CD 3.49Å
150H69.8Low70.1Confident20 Ų2077.7 Ų77.79%0.09341%0.408CS..SBendtrans-12662.1178.8-63.673.9000111.5C134 C137 Y141 L146 H159C134-H150 PolarHBondContact SG-NE2 3.36Å; C134-H150 VanDerWaalsContact SG-NE2 3.38Å; C137-H150 PolarHBondContact SG-NE2 3.32Å; C137-H150 VanDerWaalsContact SG-NE2 3.38Å; Y141-H150 AromaticContact CE2-CE1 3.59Å; Y141-H150 AromaticContact CZ-CE1 3.68Å; L146-H150 HydrophobicContact CD1-CB 4.21Å; L146-H150 CarbonylContact O-C 3.56Å; L146-H150 WeakPolarHBondContact O-CA 3.34Å; L146-H150 WeakPolarHBondContact O-CB 3.33Å; L146-H150 PolarHBondContact O-N 2.93Å; H150-H159 AromaticContact CD2-CG 3.96Å; H150-H159 AromaticContact CD2-ND1 3.54Å; H150-H159 AromaticContact NE2-CG 3.83Å; H150-H159 AromaticContact NE2-ND1 3.03Å; H150-H159 PolarHBondContact NE2-ND1 3.2Å
151P70.6Confident69.9Low56 Ų5681.1 Ų81.136%0.36443%0.427SS..  trans-64150.6170.227-32.5000110T149 K153T149-P151 WeakPolarHBondContact O-CD 3.49Å; P151-K153 PolarHBondContact O-N 3.13Å
152N62.5Low69.5Low164 Ų16482.7 Ų82.788%0.87744%0.435SS*.SBendtrans-67.646.2178.1-84.5-19000113.6
153K62.8Low69Low163 Ų16389.7 Ų89.771%0.70947%0.468SS*.SBendtrans-138.4147.3179.5-63.1-175.6-178.6178.30109P151 F156P151-K153 PolarHBondContact O-N 3.13Å; K153-F156 PolarHBondContact O-N 2.89Å
154K44Very low68.4Low184 Ų18488.3 Ų88.380%0.846%0.463SS*.THydrogen-bonded Turntrans-58.1141.9176.3-69-176.3178.3-177.50109.8
155P52.3Low67.6Low98 Ų9884.9 Ų84.964%0.63645%0.448SS*.THydrogen-bonded Turncis-90.8-8.117.234-34.7000116.1T157P155-T157 VanDerWaalsContact C-N 3.35Å; P155-T157 PolarHBondContact O-N 3.41Å
156F53.3Low66.8Low82 Ų8285.8 Ų85.836%0.3645%0.453SS..G310 helixtrans-851.4-165.4-56.1-70000115.7K153 G158 H159K153-F156 PolarHBondContact O-N 2.89Å; F156-G158 PolarHBondContact O-N 3.43Å; F156-G158 VanDerWaalsContact O-N 3.09Å; F156-H159 AromaticContact CD1-CE1 3.63Å; F156-H159 AromaticContact CD1-ND1 3.97Å; F156-H159 PolarHBondContact O-N 2.97Å
157T59.8Low65.5Low87 Ų8788.7 Ų88.753%0.53447%0.469SS..G310 helixtrans-65.6-10.3178.352.60000114.3P155P155-T157 VanDerWaalsContact C-N 3.35Å; P155-T157 PolarHBondContact O-N 3.41Å
158G55.4Low64.2Low64 Ų6486 Ų8666%0.6647%0.467SS*.G310 helixtrans-98.9-0.717800000114.9F156F156-G158 PolarHBondContact O-N 3.43Å; F156-G158 VanDerWaalsContact O-N 3.09Å
159H64.8Low63Low54 Ų5487.9 Ų87.925%0.2546%0.462CS..PPolyproline II helixtrans-81.2134.1-177.8-75-156.3000111.1C137 H150 F156C137-H159 PolarHBondContact SG-CE1 3.33Å; C137-H159 PolarHBondContact SG-ND1 3Å; H150-H159 AromaticContact CD2-CG 3.96Å; H150-H159 AromaticContact CD2-ND1 3.54Å; H150-H159 AromaticContact NE2-CG 3.83Å; H150-H159 AromaticContact NE2-ND1 3.03Å; H150-H159 PolarHBondContact NE2-ND1 3.2Å; F156-H159 AromaticContact CD1-CE1 3.63Å; F156-H159 AromaticContact CD1-ND1 3.97Å; F156-H159 PolarHBondContact O-N 2.97Å
160R68.3Low62.5Low176 Ų17688 Ų8866%0.66446%0.461SS*.PPolyproline II helixtrans-91.6117.1-176.4-178.9179.9175.3-158.1-0.7110.4V135 T136 I162V135-R160 HydrophobicContact CG2-CB 3.69Å; V135-R160 HydrophobicContact CG2-CG 3.91Å; V135-R160 WeakPolarHBondContact CG2-O 3.3Å; V135-R160 PolarHBondContact N-O 3.12Å; T136-R160 PolarHBondContact OG1-N 3.5Å; T136-R160 VanDerWaalsContact OG1-N 3.13Å; R160-I162 HydrophobicContact CG-CG2 4.42Å
161L79.3Confident61.6Low73 Ų7393.8 Ų93.838%0.38248%0.482SS..EExtended strand (participates in β ladder)trans-101.2132.2177.5-60.3170.4000110.5K132 T133 C134 L146K132-L161 HydrophobicContact CB-CB 4.38Å; K132-L161 HydrophobicContact CB-CD2 4.43Å; T133-L161 CarbonylContact O-C 3.53Å; T133-L161 WeakPolarHBondContact O-CA 3.45Å; C134-L161 HydrophobicContact CB-CD2 3.58Å; L146-L161 HydrophobicContact CD1-CD1 3.9Å; L146-L161 HydrophobicContact CD1-CD2 3.61Å; L146-L161 HydrophobicContact CD1-CG 4.43Å; L146-L161 HydrophobicContact CD2-CD1 4.28Å
162I73.9Confident61Low43 Ų4392.4 Ų92.422%0.22148%0.478CS..EExtended strand (participates in β ladder)trans-127.2175.6177.363.1176.2000110.7K132 T133 V135 R160 I165K132-I162 WeakPolarHBondContact CA-O 3.5Å; K132-I162 VanDerWaalsContact CD-O 3.25Å; K132-I162 WeakPolarHBondContact CD-O 3.46Å; T133-I162 PolarHBondContact N-O 3.23Å; T133-I162 PolarHBondContact O-N 3.2Å; V135-I162 HydrophobicContact CG1-CD1 3.33Å; V135-I162 HydrophobicContact CG1-CG1 3.82Å; R160-I162 HydrophobicContact CG-CG2 4.42Å; I162-I165 HydrophobicContact CD1-CD1 3.36Å; I162-I165 HydrophobicContact CD1-CG1 3.93Å; I162-I165 HydrophobicContact CG1-CD1 4.29Å; I162-I165 HydrophobicContact CG1-CG1 4.38Å
163E76.7Confident61.2Low149 Ų14986.7 Ų86.770%0.69645%0.447SS*.SBendtrans-57.4147.9172.9-68.8-172.9163.700111.3I165E163-I165 WeakPolarHBondContact O-CG1 3.4Å; E163-I165 PolarHBondContact O-N 3.03Å; E163-I165 VanDerWaalsContact O-N 3.12Å
164P74.3Confident61.9Low47 Ų4782.3 Ų82.331%0.30543%0.43SS..  trans-55.7117.6-178.3-22.231.7000111.1V117 A130 V131 T133V117-P164 HydrophobicContact CB-CB 3.94Å; V117-P164 HydrophobicContact CG1-CB 4.3Å; V117-P164 HydrophobicContact CG2-CB 4.25Å; A130-P164 HydrophobicContact CB-CB 4.22Å; A130-P164 HydrophobicContact CB-CG 4.48Å; A130-P164 WeakPolarHBondContact O-CG 3.39Å; V131-P164 VanDerWaalsContact C-CG 3.44Å; V131-P164 WeakPolarHBondContact O-CD 3.39Å; V131-P164 WeakPolarHBondContact O-CG 3.34Å; T133-P164 WeakPolarHBondContact OG1-CA 3.49Å
165I66.1Low63.5Low48 Ų4873.9 Ų73.925%0.24639%0.394CS..  trans-112.4136.2176.5-43-164.3000108.5T133 I162 E163 H169 I170T133-I165 PolarHBondContact OG1-N 3.42Å; T133-I165 VanDerWaalsContact OG1-N 3.07Å; I162-I165 HydrophobicContact CD1-CD1 3.36Å; I162-I165 HydrophobicContact CD1-CG1 3.93Å; I162-I165 HydrophobicContact CG1-CD1 4.29Å; I162-I165 HydrophobicContact CG1-CG1 4.38Å; E163-I165 WeakPolarHBondContact O-CG1 3.4Å; E163-I165 PolarHBondContact O-N 3.03Å; E163-I165 VanDerWaalsContact O-N 3.12Å; I165-H169 HydrophobicContact CG2-CB 3.23Å; I165-I170 HydrophobicContact CB-CG1 4.32Å
166P64Low64.6Low36 Ų3677.4 Ų77.423%0.23441%0.407CS..  trans-52.9146.9170.6-24.932.1000111.3V117 S168 H169V117-P166 HydrophobicContact CG2-CB 4.38Å; V117-P166 HydrophobicContact CG2-CG 3.82Å; P166-S168 PolarHBondContact O-N 3.44Å; P166-H169 PolarHBondContact O-N 3.38Å
167D56.1Low65.7Low79 Ų7976.7 Ų76.742%0.42241%0.405SS..Hα-helixtrans-54.5-26.4-175.7-70.8-30.3000113.9Q120 H169Q120-D167 PolarHBondContact NE2-OD1 3.29Å; Q120-D167 PolarHBondContact NE2-OD2 2.91Å; D167-H169 VanDerWaalsContact C-N 3.27Å; D167-H169 PolarHBondContact O-N 2.83Å
168S52.8Low66.5Low76 Ų7674.7 Ų74.753%0.53139%0.39SS..Hα-helixtrans-61.3-28.3175.354.40000114P166P166-S168 PolarHBondContact O-N 3.44Å
169H52.9Low67.3Low118 Ų11879.5 Ų79.555%0.54640%0.395SS..Hα-helixtrans-103.7-11.4-176.4-71148.1000114I165 P166 D167 R171I165-H169 HydrophobicContact CG2-CB 3.23Å; P166-H169 PolarHBondContact O-N 3.38Å; D167-H169 VanDerWaalsContact C-N 3.27Å; D167-H169 PolarHBondContact O-N 2.83Å; H169-R171 VanDerWaalsContact C-N 3.26Å
170I53.3Low68Low31 Ų3184.1 Ų84.116%0.15942%0.421CS..Hα-helixtrans-73.2-27.4169.7-57.2171.3000109.6T133 E138 I165 G172T133-I170 HydrophobicContact CG2-CD1 3.31Å; T133-I170 HydrophobicContact CG2-CG1 3.88Å; E138-I170 HydrophobicContact CB-CG2 4Å; E138-I170 HydrophobicContact CG-CG2 4.14Å; I165-I170 HydrophobicContact CB-CG1 4.32Å; I170-G172 PolarHBondContact O-N 3.47Å
171R51.2Low68.5Low142 Ų14279 Ų7954%0.53641%0.405SS..SBendtrans-100.148.6-167.5-80.9-170.9-179.4-142.80.6115.2H169 K182H169-R171 VanDerWaalsContact C-N 3.26Å; R171-K182 VanDerWaalsContact O-CE 3.22Å; R171-K182 WeakPolarHBondContact O-CE 3.44Å
172G57.5Low68.4Low27 Ų2779.8 Ų79.828%0.27841%0.405SS..  trans67.8-179.1166.200000115.4I170I170-G172 PolarHBondContact O-N 3.47Å
173L66.4Low68.8Low43 Ų4378.6 Ų78.623%0.22540%0.4CS..PPolyproline II helixtrans-76129.8177.9-80.3156000110.5V183 L193 A377 R378L173-V183 HydrophobicContact CB-CG2 3.66Å; L173-V183 WeakPolarHBondContact O-CG2 3.31Å; L173-V183 PolarHBondContact O-N 3.17Å; L173-L193 HydrophobicContact CD1-CD1 4.37Å; L173-A377 HydrophobicContact CB-CB 4.38Å; L173-A377 VanDerWaalsContact CD1-C 3.41Å; L173-A377 HydrophobicContact CD1-CB 3.64Å; L173-R378 HydrophobicContact CD1-CB 4.49Å; L173-R378 HydrophobicContact CD1-CG 3.92Å; L173-R378 HydrophobicContact CG-CG 4.39Å
174M78.1Confident69Low71 Ų7175.3 Ų75.335%0.3539%0.387SS..BIsolated β-bridgetrans-87.7152.2175.5-57.5-54.2-70.700111E179 D180 K182M174-E179 WeakPolarHBondContact CE-O 3.42Å; M174-D180 WeakPolarHBondContact CE-O 3.27Å; M174-K182 HydrophobicContact CE-CG 4.41Å; M174-K182 HydrophobicContact SD-CG 3.86Å
175C78.3Confident69.5Low7 Ų775 Ų755%0.04738%0.382CS..PPolyproline II helixtrans-71.9135178-178.80000110.9E177 H178 E181 V183 C195 C198C175-E177 PolarHBondContact O-N 2.9Å; C175-H178 HydrophobicContact CB-CB 4.18Å; C175-H178 WeakPolarHBondContact CB-O 3.48Å; C175-H178 CarbonylContact O-C 3.56Å; C175-H178 PolarHBondContact O-N 3.39Å; C175-E181 HydrophobicContact CB-CB 4.43Å; C175-E181 WeakPolarHBondContact CB-O 3.3Å; C175-E181 PolarHBondContact N-O 2.9Å; C175-V183 HydrophobicContact CB-CG1 4.19Å; C175-C195 HydrophobicContact CB-CB 3.87Å; C175-C195 VanDerWaalsContact SG-SG 3.62Å; C175-C198 PolarHBondContact SG-SG 3.08Å
176L74.1Confident70.4Confident172 Ų17273.8 Ų73.890%0.90138%0.375SS*.SBendtrans-68.1-21179.9-61.6174.9000113.7
177E75.7Confident71.6Confident67 Ų6772.1 Ų72.131%0.31336%0.364SS..SBendtrans-100.2-22.7178.6-64-175165.200112.9C175 C198 R203C175-E177 PolarHBondContact O-N 2.9Å; E177-C198 PolarHBondContact OE2-SG 3.42Å; E177-C198 VanDerWaalsContact OE2-SG 3.33Å; E177-R203 IonicContact OE1-CZ 3.91Å; E177-R203 IonicContact OE1-NE 3.17Å; E177-R203 PolarHBondContact OE1-NE 3.12Å; E177-R203 IonicContact OE1-NH2 2.8Å; E177-R203 PolarHBondContact OE1-NH2 3.1Å
178H77.8Confident73.2Confident46 Ų4670.3 Ų70.321%0.21336%0.356CS..  trans-133.688.7-174-56.795.8000107.6C175 D180 E181 L197 C198C175-H178 HydrophobicContact CB-CB 4.18Å; C175-H178 WeakPolarHBondContact CB-O 3.48Å; C175-H178 CarbonylContact O-C 3.56Å; C175-H178 PolarHBondContact O-N 3.39Å; H178-D180 PolarHBondContact O-N 3.31Å; H178-D180 VanDerWaalsContact O-N 3.09Å; H178-E181 HydrophobicContact CB-CB 3.84Å; H178-E181 HydrophobicContact CB-CG 3.93Å; H178-E181 PolarHBondContact O-N 3.27Å; H178-L197 HydrophobicContact CB-CD1 4.46Å; H178-C198 PolarHBondContact CE1-SG 2.92Å; H178-C198 PolarHBondContact ND1-SG 2.81Å
179E71.7Confident75Confident164 Ų16470.5 Ų70.577%0.76635%0.354SS*.THydrogen-bonded Turntrans-58.6-27.9-167-63.5-178.6172.200113.5M174M174-E179 WeakPolarHBondContact CE-O 3.42Å
180D79Confident76.4Confident152 Ų15267.5 Ų67.581%0.81334%0.342SS*.THydrogen-bonded Turntrans-91.2-4.9178.8-63.5-47.1000114.3M174 H178M174-D180 WeakPolarHBondContact CE-O 3.27Å; H178-D180 PolarHBondContact O-N 3.31Å; H178-D180 VanDerWaalsContact O-N 3.09Å
181E79.4Confident77.9Confident69 Ų6969.2 Ų69.232%0.32235%0.351SS..SBendtrans-103.1133.4-176.8-71.6-67.4147.900112.5C175 H178 C195 L197C175-E181 HydrophobicContact CB-CB 4.43Å; C175-E181 WeakPolarHBondContact CB-O 3.3Å; C175-E181 PolarHBondContact N-O 2.9Å; H178-E181 HydrophobicContact CB-CB 3.84Å; H178-E181 HydrophobicContact CB-CG 3.93Å; H178-E181 PolarHBondContact O-N 3.27Å; E181-C195 HydrophobicContact CB-CB 3.72Å; E181-L197 HydrophobicContact CG-CB 4.49Å; E181-L197 HydrophobicContact CG-CD1 3.43Å; E181-L197 VanDerWaalsContact CG-CD1 3.43Å; E181-L197 HydrophobicContact CG-CG 3.76Å
182K77.3Confident79.4Confident89 Ų8967.5 Ų67.539%0.38735%0.349SS..BIsolated β-bridgetrans-76141.8173.7-64.7-176.9-179.2-171.60111.1R171 M174 N184 C195R171-K182 VanDerWaalsContact O-CE 3.22Å; R171-K182 WeakPolarHBondContact O-CE 3.44Å; M174-K182 HydrophobicContact CE-CG 4.41Å; M174-K182 HydrophobicContact SD-CG 3.86Å; K182-N184 PolarHBondContact O-N 3.03Å; K182-C195 WeakPolarHBondContact O-CB 3.04Å
183V82.1Confident80.5Confident17 Ų1768.1 Ų68.110%0.10335%0.346CS..PPolyproline II helixtrans-69.3129.1169.3-55.80000109.7L173 C175 L193 I194 A377L173-V183 HydrophobicContact CB-CG2 3.66Å; L173-V183 WeakPolarHBondContact O-CG2 3.31Å; L173-V183 PolarHBondContact O-N 3.17Å; C175-V183 HydrophobicContact CB-CG1 4.19Å; V183-L193 HydrophobicContact CB-CB 4.21Å; V183-L193 HydrophobicContact CG1-CB 4.27Å; V183-L193 HydrophobicContact CG2-CB 4.3Å; V183-I194 WeakPolarHBondContact CA-O 3.27Å; V183-A377 HydrophobicContact CG2-CB 3.79Å
184N81.7Confident81.4Confident81 Ų8166.2 Ų66.243%0.43334%0.336SS..  trans-139.7-2.2-176.864.90.9000113.3K182 I194 A196K182-N184 PolarHBondContact O-N 3.03Å; N184-I194 PolarHBondContact N-O 2.78Å; N184-A196 PolarHBondContact OD1-N 3.5Å
185M83.9Confident81.8Confident40 Ų4062.8 Ų62.820%0.19732%0.319CS..EExtended strand (participates in β ladder)trans-137.8158.5179.8-70.1-178.1-66.200110.8I194 C195 A196 K199 V209M185-I194 HydrophobicContact CB-CG1 3.96Å; M185-I194 PolarHBondContact N-O 3.26Å; M185-I194 PolarHBondContact O-N 2.85Å; M185-I194 VanDerWaalsContact O-O 3.07Å; M185-C195 VanDerWaalsContact CE-O 3.26Å; M185-C195 WeakPolarHBondContact CE-O 3.4Å; M185-A196 VanDerWaalsContact CE-CA 3.45Å; M185-A196 HydrophobicContact CE-CB 4.36Å; M185-K199 HydrophobicContact CE-CB 3.72Å; M185-K199 HydrophobicContact CE-CG 4.35Å; M185-V209 HydrophobicContact SD-CG2 4.32Å
186Y84.7Confident82.2Confident23 Ų2363.8 Ų63.89%0.0933%0.327CS..EExtended strand (participates in β ladder)trans-112.8121173.7-168.5-91000110V188 D191 L193 V209 A210 R215 L380Y186-V188 PolarHBondContact O-N 3.27Å; Y186-D191 VanDerWaalsContact OH-C 3.31Å; Y186-D191 WeakPolarHBondContact OH-CA 3.49Å; Y186-D191 PolarHBondContact OH-O 3.37Å; Y186-D191 PolarHBondContact OH-OD1 2.73Å; Y186-L193 HydrophobicContact CD2-CD2 3.97Å; Y186-L193 HydrophobicContact CD2-CG 4.47Å; Y186-V209 CarbonylContact O-C 3.48Å; Y186-V209 VanDerWaalsContact O-CA 3.24Å; Y186-V209 WeakPolarHBondContact O-CA 3.43Å; Y186-A210 PolarHBondContact N-O 2.59Å; Y186-A210 PolarHBondContact O-N 2.9Å; Y186-R215 HydrophobicContact CD1-CG 3.83Å; Y186-R215 HydrophobicContact CG-CB 4.48Å; Y186-R215 HydrophobicContact CG-CG 3.84Å; Y186-L380 HydrophobicContact CD2-CD1 4.27Å
187C89.1Confident82.9Confident0 Ų058.4 Ų58.40%030%0.299CS..EExtended strand (participates in β ladder)trans-76.5114.9170.7-169.70000109.8D190 D191 Q192 I194 H207C187-D190 PolarHBondContact SG-OD2 3.47Å; C187-D191 VanDerWaalsContact O-CA 3.28Å; C187-D191 WeakPolarHBondContact O-CA 3.4Å; C187-D191 PolarHBondContact O-N 3.04Å; C187-Q192 PolarHBondContact N-O 3.46Å; C187-Q192 PolarHBondContact O-N 2.76Å; C187-I194 HydrophobicContact CB-CD1 4.04Å; C187-I194 HydrophobicContact CB-CG1 4.33Å; C187-I194 HydrophobicContact CB-CG2 4.07Å; C187-H207 VanDerWaalsContact SG-CB 3.56Å
188V89.8Confident83.4Confident42 Ų4255.3 Ų55.326%0.25529%0.285SS..THydrogen-bonded Turntrans-71.2-34.7177177.40000111.3Y186 Q208 A210 R215Y186-V188 PolarHBondContact O-N 3.27Å; V188-Q208 HydrophobicContact CB-CB 4.21Å; V188-Q208 HydrophobicContact CB-CG 4.33Å; V188-Q208 WeakPolarHBondContact CB-O 3.09Å; V188-Q208 HydrophobicContact CG2-CG 4.36Å; V188-Q208 PolarHBondContact N-O 2.91Å; V188-A210 HydrophobicContact CG2-CB 3.87Å; V188-R215 VanDerWaalsContact CG1-NH2 3.25Å
189T90.3Very high83.9Confident80 Ų8055.7 Ų55.749%0.49129%0.286SS..THydrogen-bonded Turntrans-69.4-43.6-176.9-54.10000112H207 Q208T189-H207 HydrophobicContact CG2-CB 4.38Å; T189-Q208 PolarHBondContact OG1-N 2.87Å
190D84.1Confident84.6Confident55 Ų5553.7 Ų53.729%0.29428%0.28SS..THydrogen-bonded Turntrans-101.7-1.1-178.2-46.6-67.8000113.7C187 Q192 H204 H207C187-D190 PolarHBondContact SG-OD2 3.47Å; D190-Q192 WeakPolarHBondContact O-CG 3.45Å; D190-Q192 PolarHBondContact O-N 2.97Å; D190-H204 IonicContact OD2-CE1 2.64Å; D190-H204 PolarHBondContact OD2-CE1 3.11Å; D190-H204 IonicContact OD2-CG 3.74Å; D190-H204 IonicContact OD2-ND1 3.91Å; D190-H204 PolarHBondContact OD2-ND1 3.34Å; D190-H207 IonicContact OD1-CE1 2.98Å; D190-H207 PolarHBondContact OD1-CE1 3.03Å; D190-H207 VanDerWaalsContact OD1-CE1 3.24Å; D190-H207 IonicContact OD1-ND1 3.14Å; D190-H207 PolarHBondContact OD1-ND1 3.32Å; D190-H207 IonicContact OD2-CE1 3.88Å; D190-H207 PolarHBondContact OD2-CE1 3.1Å; D190-H207 VanDerWaalsContact OD2-CE1 3.27Å; D190-H207 IonicContact OD2-CG 2.6Å; D190-H207 IonicContact OD2-ND1 2.62Å; D190-H207 PolarHBondContact OD2-ND1 3.11Å
191D83.4Confident85Confident66 Ų6651.9 Ų51.935%0.35327%0.274SS..THydrogen-bonded Turntrans5942.7178.6-158.567.9000113.4Y186 C187 K384Y186-D191 VanDerWaalsContact OH-C 3.31Å; Y186-D191 WeakPolarHBondContact OH-CA 3.49Å; Y186-D191 PolarHBondContact OH-O 3.37Å; Y186-D191 PolarHBondContact OH-OD1 2.73Å; C187-D191 VanDerWaalsContact O-CA 3.28Å; C187-D191 WeakPolarHBondContact O-CA 3.4Å; C187-D191 PolarHBondContact O-N 3.04Å; D191-K384 WeakPolarHBondContact OD2-CE 3.3Å; D191-K384 IonicContact OD2-NZ 2.67Å; D191-K384 PolarHBondContact OD2-NZ 3.04Å
192Q83.1Confident85.3Confident106 Ų10649.6 Ų49.650%0.49527%0.269SS..EExtended strand (participates in β ladder)trans-137151.7-170.7-75.5175.127.300113.8C187 D190C187-Q192 PolarHBondContact N-O 3.46Å; C187-Q192 PolarHBondContact O-N 2.76Å; D190-Q192 WeakPolarHBondContact O-CG 3.45Å; D190-Q192 PolarHBondContact O-N 2.97Å
193L81.5Confident85.8Confident40 Ų4054.6 Ų54.621%0.20929%0.285CS..EExtended strand (participates in β ladder)trans-75.9128.7170.8-67.5167.3000109.8L173 V183 Y186 L212 A377 L380 Q381L173-L193 HydrophobicContact CD1-CD1 4.37Å; V183-L193 HydrophobicContact CB-CB 4.21Å; V183-L193 HydrophobicContact CG1-CB 4.27Å; V183-L193 HydrophobicContact CG2-CB 4.3Å; Y186-L193 HydrophobicContact CD2-CD2 3.97Å; Y186-L193 HydrophobicContact CD2-CG 4.47Å; L193-L212 HydrophobicContact CD2-CD2 3.38Å; L193-A377 HydrophobicContact CD1-CB 4.35Å; L193-A377 WeakPolarHBondContact CD1-O 3.14Å; L193-L380 HydrophobicContact CD2-CB 4.21Å; L193-L380 HydrophobicContact CD2-CD1 4.09Å; L193-Q381 HydrophobicContact CD1-CB 4.31Å
194I85.4Confident86.1Confident3 Ų354.3 Ų54.32%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-134.1161.8-177.465.1163.9000111.3V183 N184 M185 C187 C198 K199 H204 V209V183-I194 WeakPolarHBondContact CA-O 3.27Å; N184-I194 PolarHBondContact N-O 2.78Å; M185-I194 HydrophobicContact CB-CG1 3.96Å; M185-I194 PolarHBondContact N-O 3.26Å; M185-I194 PolarHBondContact O-N 2.85Å; M185-I194 VanDerWaalsContact O-O 3.07Å; C187-I194 HydrophobicContact CB-CD1 4.04Å; C187-I194 HydrophobicContact CB-CG1 4.33Å; C187-I194 HydrophobicContact CB-CG2 4.07Å; I194-C198 HydrophobicContact CB-CB 3.84Å; I194-C198 HydrophobicContact CD1-CB 4.31Å; I194-C198 HydrophobicContact CG2-CB 4.35Å; I194-K199 HydrophobicContact CD1-CB 4.32Å; I194-H204 HydrophobicContact CD1-CB 4.07Å; I194-V209 HydrophobicContact CD1-CG1 3.77Å
195C86Confident86.5Confident0 Ų058.4 Ų58.40%029%0.293CS..  trans-98.4178.5171.370.60000112.2C175 E181 K182 M185 L197 C198C175-C195 HydrophobicContact CB-CB 3.87Å; C175-C195 VanDerWaalsContact SG-SG 3.62Å; E181-C195 HydrophobicContact CB-CB 3.72Å; K182-C195 WeakPolarHBondContact O-CB 3.04Å; M185-C195 VanDerWaalsContact CE-O 3.26Å; M185-C195 WeakPolarHBondContact CE-O 3.4Å; C195-L197 VanDerWaalsContact C-N 3.33Å; C195-L197 PolarHBondContact O-N 3.08Å; C195-C198 PolarHBondContact O-N 2.8Å
196A86.9Confident87Confident27 Ų2763.6 Ų63.622%0.22332%0.321CS..Hα-helixtrans-59.4-40.4176.100000113.2N184 M185 C198 K199 L200N184-A196 PolarHBondContact OD1-N 3.5Å; M185-A196 VanDerWaalsContact CE-CA 3.45Å; M185-A196 HydrophobicContact CE-CB 4.36Å; A196-C198 PolarHBondContact O-N 3.26Å; A196-K199 PolarHBondContact O-N 2.86Å; A196-L200 HydrophobicContact CB-CD1 4.49Å; A196-L200 WeakPolarHBondContact O-CG 3.33Å; A196-L200 PolarHBondContact O-N 3.28Å
197L87.7Confident87.4Confident60 Ų6065 Ų6531%0.31433%0.328SS..Hα-helixtrans-65.4-40.3-178.6-62.1-172000112.2H178 E181 C195 K199 L200 V201 G202H178-L197 HydrophobicContact CB-CD1 4.46Å; E181-L197 HydrophobicContact CG-CB 4.49Å; E181-L197 HydrophobicContact CG-CD1 3.43Å; E181-L197 VanDerWaalsContact CG-CD1 3.43Å; E181-L197 HydrophobicContact CG-CG 3.76Å; C195-L197 VanDerWaalsContact C-N 3.33Å; C195-L197 PolarHBondContact O-N 3.08Å; L197-K199 PolarHBondContact O-N 3.46Å; L197-K199 VanDerWaalsContact O-N 3.16Å; L197-L200 PolarHBondContact O-N 3.05Å; L197-V201 HydrophobicContact CB-CG2 4.34Å; L197-V201 HydrophobicContact CD2-CG2 4.46Å; L197-V201 WeakPolarHBondContact O-CG2 3.36Å; L197-V201 PolarHBondContact O-N 2.86Å; L197-G202 PolarHBondContact O-N 3.4Å
198C86.8Confident87.6Confident2 Ų271.4 Ų71.41%0.01436%0.358CS..Hα-helixtrans-53.7-35.9173.8-74.10000112.9C175 E177 H178 I194 C195 A196 G202 H204C175-C198 PolarHBondContact SG-SG 3.08Å; E177-C198 PolarHBondContact OE2-SG 3.42Å; E177-C198 VanDerWaalsContact OE2-SG 3.33Å; H178-C198 PolarHBondContact CE1-SG 2.92Å; H178-C198 PolarHBondContact ND1-SG 2.81Å; I194-C198 HydrophobicContact CB-CB 3.84Å; I194-C198 HydrophobicContact CD1-CB 4.31Å; I194-C198 HydrophobicContact CG2-CB 4.35Å; C195-C198 PolarHBondContact O-N 2.8Å; A196-C198 PolarHBondContact O-N 3.26Å; C198-G202 CarbonylContact O-C 3.6Å; C198-G202 VanDerWaalsContact O-C 3.22Å; C198-G202 WeakPolarHBondContact O-CA 3.09Å; C198-H204 WeakPolarHBondContact O-CB 3.45Å; C198-H204 PolarHBondContact O-N 3.41Å
199K88Confident87.6Confident54 Ų5471.7 Ų71.724%0.23536%0.36CS..Hα-helixtrans-87.3-36.5179.9179.654.9178172.80113.5M185 I194 A196 L197 H204 R205 H207 V209M185-K199 HydrophobicContact CE-CB 3.72Å; M185-K199 HydrophobicContact CE-CG 4.35Å; I194-K199 HydrophobicContact CD1-CB 4.32Å; A196-K199 PolarHBondContact O-N 2.86Å; L197-K199 PolarHBondContact O-N 3.46Å; L197-K199 VanDerWaalsContact O-N 3.16Å; K199-H204 VanDerWaalsContact CD-O 3.23Å; K199-H204 WeakPolarHBondContact CD-O 3.4Å; K199-R205 PolarHBondContact NZ-O 3.31Å; K199-R205 WeakPolarHBondContact O-CA 3.3Å; K199-H207 PolarHBondContact NZ-O 2.93Å; K199-V209 HydrophobicContact CD-CG1 3.88Å; K199-V209 HydrophobicContact CD-CG2 4.43Å; K199-V209 HydrophobicContact CG-CG1 4.36Å
200L86.7Confident87.6Confident121 Ų12168.6 Ų68.663%0.63434%0.343SS*.Hα-helixtrans-80.8-43.2-174.5-71.1171.1000112.7A196 L197A196-L200 HydrophobicContact CB-CD1 4.49Å; A196-L200 WeakPolarHBondContact O-CG 3.33Å; A196-L200 PolarHBondContact O-N 3.28Å; L197-L200 PolarHBondContact O-N 3.05Å
201V87.4Confident87.8Confident114 Ų11468.4 Ų68.469%0.69135%0.348SS*.THydrogen-bonded Turntrans-131.7-15-172.2-66.30000113.4L197L197-V201 HydrophobicContact CB-CG2 4.34Å; L197-V201 HydrophobicContact CD2-CG2 4.46Å; L197-V201 WeakPolarHBondContact O-CG2 3.36Å; L197-V201 PolarHBondContact O-N 2.86Å
202G85.9Confident87.8Confident21 Ų2166.3 Ų66.322%0.21634%0.337CS..SBendtrans-87.5-164.2-178.500000114.7L197 C198 H204L197-G202 PolarHBondContact O-N 3.4Å; C198-G202 CarbonylContact O-C 3.6Å; C198-G202 VanDerWaalsContact O-C 3.22Å; C198-G202 WeakPolarHBondContact O-CA 3.09Å; G202-H204 PolarHBondContact O-N 3.39Å
203R88.3Confident87.9Confident194 Ų19463.9 Ų63.973%0.73233%0.332SS*.THydrogen-bonded Turntrans-71.3-10.8-171.6-60-167.4-73.4-165.21.8114.8E177E177-R203 IonicContact OE1-CZ 3.91Å; E177-R203 IonicContact OE1-NE 3.17Å; E177-R203 PolarHBondContact OE1-NE 3.12Å; E177-R203 IonicContact OE1-NH2 2.8Å; E177-R203 PolarHBondContact OE1-NH2 3.1Å
204H88.6Confident88.2Confident11 Ų1166.1 Ų66.15%0.05134%0.341CS..THydrogen-bonded Turntrans-102.319.2-176.2-56.7-94000112.8D190 I194 C198 K199 G202 D206 H207D190-H204 IonicContact OD2-CE1 2.64Å; D190-H204 PolarHBondContact OD2-CE1 3.11Å; D190-H204 IonicContact OD2-CG 3.74Å; D190-H204 IonicContact OD2-ND1 3.91Å; D190-H204 PolarHBondContact OD2-ND1 3.34Å; I194-H204 HydrophobicContact CD1-CB 4.07Å; C198-H204 WeakPolarHBondContact O-CB 3.45Å; C198-H204 PolarHBondContact O-N 3.41Å; K199-H204 VanDerWaalsContact CD-O 3.23Å; K199-H204 WeakPolarHBondContact CD-O 3.4Å; G202-H204 PolarHBondContact O-N 3.39Å; H204-D206 VanDerWaalsContact C-N 3.3Å; H204-D206 PolarHBondContact O-N 2.87Å; H204-H207 HydrophobicContact CB-CB 4.3Å; H204-H207 AromaticContact ND1-ND1 3.65Å; H204-H207 PolarHBondContact O-N 3.03Å; H204-H207 VanDerWaalsContact O-N 3.15Å
205R89.5Confident88.4Confident168 Ų16869 Ų6963%0.63435%0.352SS*.THydrogen-bonded Turntrans-55.3-41.7-173.9-167.6-179.6-176.4-168.40.1113.8K199K199-R205 PolarHBondContact NZ-O 3.31Å; K199-R205 WeakPolarHBondContact O-CA 3.3Å
206D93.2Very high88.5Confident148 Ų14869.5 Ų69.579%0.79135%0.354SS*.THydrogen-bonded Turntrans-101.64.4-177.1-57.2-49.1000113H204H204-D206 VanDerWaalsContact C-N 3.3Å; H204-D206 PolarHBondContact O-N 2.87Å
207H94.1Very high88.7Confident53 Ų5372.1 Ų72.125%0.24536%0.364CS..SBendtrans-85.6150.1-177.5-67.3-178.1000112.4C187 T189 D190 K199 H204C187-H207 VanDerWaalsContact SG-CB 3.56Å; T189-H207 HydrophobicContact CG2-CB 4.38Å; D190-H207 IonicContact OD1-CE1 2.98Å; D190-H207 PolarHBondContact OD1-CE1 3.03Å; D190-H207 VanDerWaalsContact OD1-CE1 3.24Å; D190-H207 IonicContact OD1-ND1 3.14Å; D190-H207 PolarHBondContact OD1-ND1 3.32Å; D190-H207 IonicContact OD2-CE1 3.88Å; D190-H207 PolarHBondContact OD2-CE1 3.1Å; D190-H207 VanDerWaalsContact OD2-CE1 3.27Å; D190-H207 IonicContact OD2-CG 2.6Å; D190-H207 IonicContact OD2-ND1 2.62Å; D190-H207 PolarHBondContact OD2-ND1 3.11Å; K199-H207 PolarHBondContact NZ-O 2.93Å; H204-H207 HydrophobicContact CB-CB 4.3Å; H204-H207 AromaticContact ND1-ND1 3.65Å; H204-H207 PolarHBondContact O-N 3.03Å; H204-H207 VanDerWaalsContact O-N 3.15Å
208Q92.6Very high88.9Confident134 Ų13474.5 Ų74.563%0.62637%0.372SS*.  trans-73.8131.5176.9-171.6176.631.700109.3V188 T189V188-Q208 HydrophobicContact CB-CB 4.21Å; V188-Q208 HydrophobicContact CB-CG 4.33Å; V188-Q208 WeakPolarHBondContact CB-O 3.09Å; V188-Q208 HydrophobicContact CG2-CG 4.36Å; V188-Q208 PolarHBondContact N-O 2.91Å; T189-Q208 PolarHBondContact OG1-N 2.87Å
209V90.8Very high89Confident49 Ų4976 Ų7630%0.29738%0.38SS..EExtended strand (participates in β ladder)trans-120.9149.7178.7-60.60000110.4M185 Y186 I194 K199M185-V209 HydrophobicContact SD-CG2 4.32Å; Y186-V209 CarbonylContact O-C 3.48Å; Y186-V209 VanDerWaalsContact O-CA 3.24Å; Y186-V209 WeakPolarHBondContact O-CA 3.43Å; I194-V209 HydrophobicContact CD1-CG1 3.77Å; K199-V209 HydrophobicContact CD-CG1 3.88Å; K199-V209 HydrophobicContact CD-CG2 4.43Å; K199-V209 HydrophobicContact CG-CG1 4.36Å
210A89.6Confident89.2Confident15 Ų1575.5 Ų75.512%0.12438%0.377CS..EExtended strand (participates in β ladder)trans-128157.2175.700000110.2Y186 V188 R215Y186-A210 PolarHBondContact N-O 2.59Å; Y186-A210 PolarHBondContact O-N 2.9Å; V188-A210 HydrophobicContact CG2-CB 3.87Å; A210-R215 HydrophobicContact CB-CG 4Å
211A88.7Confident89.6Confident50 Ų5075.8 Ų75.841%0.41338%0.376SS..EExtended strand (participates in β ladder)trans-66.2143.3172.400000110.4S213 E214 R215A211-S213 PolarHBondContact O-N 2.99Å; A211-E214 PolarHBondContact O-N 3.25Å; A211-R215 PolarHBondContact O-N 2.98Å
212L84.1Confident89.9Confident23 Ų2374 Ų7412%0.1236%0.362CS..Hα-helixtrans-59.3-36.7177-63.7-178.1000112L193 R215 Y216 H376 A377 L380L193-L212 HydrophobicContact CD2-CD2 3.38Å; L212-R215 PolarHBondContact O-N 2.88Å; L212-Y216 WeakPolarHBondContact O-CB 3.36Å; L212-Y216 PolarHBondContact O-N 3.28Å; L212-H376 HydrophobicContact CB-CB 4.06Å; L212-A377 HydrophobicContact CD1-CB 4.35Å; L212-L380 HydrophobicContact CB-CD1 4.4Å; L212-L380 HydrophobicContact CD2-CD1 3.92Å
213S84.7Confident90.2Very high55 Ų5573 Ų7339%0.38535%0.352SS..Hα-helixtrans-61.5-48.5177.448.70000112.9A211 R215 Y216 D217 H376A211-S213 PolarHBondContact O-N 2.99Å; S213-R215 VanDerWaalsContact C-N 3.3Å; S213-R215 PolarHBondContact O-N 3.44Å; S213-Y216 WeakPolarHBondContact O-CB 3.33Å; S213-Y216 PolarHBondContact O-N 3.36Å; S213-D217 PolarHBondContact O-N 2.99Å; S213-H376 WeakPolarHBondContact CA-ND1 3.43Å
214E88Confident90.5Very high87 Ų8767.6 Ų67.641%0.40734%0.335SS..Hα-helixtrans-61.5-40.9179.2-168.6-16115100111.5A211 K218A211-E214 PolarHBondContact O-N 3.25Å; E214-K218 WeakPolarHBondContact O-CG 3.45Å; E214-K218 PolarHBondContact O-N 3.48Å; E214-K218 IonicContact OE1-NZ 2.89Å; E214-K218 PolarHBondContact OE1-NZ 3.3Å
215R88.8Confident90.9Very high62 Ų6270.1 Ų70.123%0.23435%0.354CS..Hα-helixtrans-69.1-41.2176.2-73.7-55.6-148.2-172.39.3112.3Y186 V188 A210 A211 L212 S213 L219 L380Y186-R215 HydrophobicContact CD1-CG 3.83Å; Y186-R215 HydrophobicContact CG-CB 4.48Å; Y186-R215 HydrophobicContact CG-CG 3.84Å; V188-R215 VanDerWaalsContact CG1-NH2 3.25Å; A210-R215 HydrophobicContact CB-CG 4Å; A211-R215 PolarHBondContact O-N 2.98Å; L212-R215 PolarHBondContact O-N 2.88Å; S213-R215 VanDerWaalsContact C-N 3.3Å; S213-R215 PolarHBondContact O-N 3.44Å; R215-L219 WeakPolarHBondContact O-CB 3.48Å; R215-L219 PolarHBondContact O-N 3.27Å; R215-L380 HydrophobicContact CB-CD1 4Å; R215-L380 HydrophobicContact CB-CD2 3.95Å
216Y88.3Confident91Very high12 Ų1263.6 Ų63.65%0.04733%0.331CS..Hα-helixtrans-57.2-54176.2172.8-91.8000110.6L212 S213 K218 L219 K220 E373 H376 F379L212-Y216 WeakPolarHBondContact O-CB 3.36Å; L212-Y216 PolarHBondContact O-N 3.28Å; S213-Y216 WeakPolarHBondContact O-CB 3.33Å; S213-Y216 PolarHBondContact O-N 3.36Å; Y216-K218 PolarHBondContact O-N 3.41Å; Y216-L219 PolarHBondContact O-N 2.98Å; Y216-K220 HydrophobicContact CE1-CD 3.66Å; Y216-K220 WeakPolarHBondContact O-CB 3.45Å; Y216-K220 PolarHBondContact O-N 3.15Å; Y216-K220 PolarHBondContact OH-NZ 3.25Å; Y216-E373 PolarHBondContact OH-O 3.42Å; Y216-H376 AromaticContact CD1-CD2 3.64Å; Y216-H376 AromaticContact CD1-NE2 3.61Å; Y216-H376 HydrophobicContact CD2-CB 4.11Å; Y216-H376 AromaticContact CD2-CD2 3.47Å; Y216-H376 VanDerWaalsContact CD2-CD2 3.47Å; Y216-H376 WeakPolarHBondContact CD2-CD2 3.41Å; Y216-H376 AromaticContact CD2-CG 3.95Å; Y216-H376 AromaticContact CE1-CD2 3.95Å; Y216-H376 AromaticContact CE1-NE2 3.9Å; Y216-H376 AromaticContact CE2-CD2 3.77Å; Y216-H376 HydrophobicContact CG-CB 4.28Å; Y216-H376 AromaticContact CG-CD2 3.39Å; Y216-H376 AromaticContact CG-CG 3.79Å; Y216-H376 AromaticContact CG-NE2 3.84Å; Y216-F379 HydrophobicContact CD2-CB 3.75Å; Y216-F379 AromaticContact CD2-CD1 3.33Å; Y216-F379 HydrophobicContact CD2-CD1 3.33Å; Y216-F379 HydrophobicContact CD2-CE1 4.1Å; Y216-F379 AromaticContact CD2-CG 3.68Å; Y216-F379 HydrophobicContact CD2-CG 3.68Å; Y216-F379 HydrophobicContact CE2-CB 3.64Å; Y216-F379 AromaticContact CE2-CD1 3.65Å; Y216-F379 HydrophobicContact CE2-CD1 3.65Å; Y216-F379 HydrophobicContact CE2-CD2 4.22Å; Y216-F379 HydrophobicContact CE2-CE1 4.36Å; Y216-F379 AromaticContact CE2-CG 3.55Å; Y216-F379 HydrophobicContact CE2-CG 3.55Å; Y216-F379 HydrophobicContact CG-CD1 4.27Å
217D91.4Very high91.1Very high82 Ų8256.9 Ų56.944%0.43930%0.296SS..Hα-helixtrans-60.1-45.9-177.5-69.6-31.3000111.7S213 K220 Q221S213-D217 PolarHBondContact O-N 2.99Å; D217-K220 PolarHBondContact O-N 2.9Å; D217-Q221 WeakPolarHBondContact O-CB 3.32Å; D217-Q221 VanDerWaalsContact O-CG 3.27Å; D217-Q221 WeakPolarHBondContact O-CG 3.36Å; D217-Q221 PolarHBondContact O-N 2.84Å
218K91.2Very high91.2Very high110 Ų11058.6 Ų58.648%0.47831%0.31SS..Hα-helixtrans-62.2-47178.3-77.7176176.3169.90112.4E214 Y216 N222E214-K218 WeakPolarHBondContact O-CG 3.45Å; E214-K218 PolarHBondContact O-N 3.48Å; E214-K218 IonicContact OE1-NZ 2.89Å; E214-K218 PolarHBondContact OE1-NZ 3.3Å; Y216-K218 PolarHBondContact O-N 3.41Å; K218-N222 WeakPolarHBondContact O-CB 3.44Å; K218-N222 PolarHBondContact O-N 3.43Å; K218-N222 VanDerWaalsContact O-N 3.07Å
219L88.3Confident91.3Very high34 Ų3456 Ų5618%0.17830%0.3CS..Hα-helixtrans-71.8-35-178.1-17362.7000111.5R215 Y216 N222 L223 F379 L380 A383R215-L219 WeakPolarHBondContact O-CB 3.48Å; R215-L219 PolarHBondContact O-N 3.27Å; Y216-L219 PolarHBondContact O-N 2.98Å; L219-N222 PolarHBondContact O-N 3.13Å; L219-L223 WeakPolarHBondContact O-CB 3.44Å; L219-L223 PolarHBondContact O-N 3.28Å; L219-F379 HydrophobicContact CB-CE1 4.08Å; L219-F379 HydrophobicContact CD2-CE1 4.22Å; L219-F379 HydrophobicContact CG-CE1 4.13Å; L219-L380 HydrophobicContact CB-CD2 4.36Å; L219-L380 HydrophobicContact CD2-CD2 3.84Å; L219-A383 HydrophobicContact CD2-CB 3.54Å; L219-A383 HydrophobicContact CG-CB 4.06Å
220K92.7Very high91.3Very high42 Ų4253.7 Ų53.718%0.18329%0.286CS..Hα-helixtrans-62.5-50173.9-171.4173.8-173.4170.50111.7Y216 D217 N222 L223 E224 L371 F379Y216-K220 HydrophobicContact CE1-CD 3.66Å; Y216-K220 WeakPolarHBondContact O-CB 3.45Å; Y216-K220 PolarHBondContact O-N 3.15Å; Y216-K220 PolarHBondContact OH-NZ 3.25Å; D217-K220 PolarHBondContact O-N 2.9Å; K220-N222 VanDerWaalsContact C-N 3.31Å; K220-N222 PolarHBondContact O-N 3.39Å; K220-L223 PolarHBondContact O-N 3.43Å; K220-E224 WeakPolarHBondContact O-CB 3.47Å; K220-E224 WeakPolarHBondContact O-CG 3.22Å; K220-E224 PolarHBondContact O-N 3.48Å; K220-L371 VanDerWaalsContact CE-O 3.3Å; K220-L371 WeakPolarHBondContact CE-O 3.45Å; K220-L371 HydrophobicContact CG-CD2 3.75Å; K220-L371 PolarHBondContact NZ-O 3.46Å; K220-F379 HydrophobicContact CB-CE1 4.04Å; K220-F379 HydrophobicContact CB-CZ 3.89Å; K220-F379 HydrophobicContact CG-CZ 4.32Å
221Q94.8Very high91.5Very high128 Ų12856 Ų5660%0.59830%0.296SS*.Hα-helixtrans-58.8-41.4175.3-74.2175.17.100112.3D217 E224 S225D217-Q221 WeakPolarHBondContact O-CB 3.32Å; D217-Q221 VanDerWaalsContact O-CG 3.27Å; D217-Q221 WeakPolarHBondContact O-CG 3.36Å; D217-Q221 PolarHBondContact O-N 2.84Å; Q221-E224 PolarHBondContact O-N 3.38Å; Q221-S225 WeakPolarHBondContact O-CB 3.48Å; Q221-S225 PolarHBondContact O-N 3.16Å
222N93.7Very high91.6Very high75 Ų7559.6 Ų59.640%0.40130%0.302SS..Hα-helixtrans-64.5-45.4176.9-172.913.5000111.7K218 L219 K220 S225 N226K218-N222 WeakPolarHBondContact O-CB 3.44Å; K218-N222 PolarHBondContact O-N 3.43Å; K218-N222 VanDerWaalsContact O-N 3.07Å; L219-N222 PolarHBondContact O-N 3.13Å; K220-N222 VanDerWaalsContact C-N 3.31Å; K220-N222 PolarHBondContact O-N 3.39Å; N222-S225 PolarHBondContact O-N 2.96Å; N222-N226 WeakPolarHBondContact O-CB 3.39Å; N222-N226 VanDerWaalsContact O-CG 3.3Å; N222-N226 PolarHBondContact O-N 2.87Å; N222-N226 PolarHBondContact O-ND2 3.46Å; N222-N226 VanDerWaalsContact O-ND2 3.14Å; N222-N226 PolarHBondContact OD1-ND2 3.43Å
223L92.3Very high91.8Very high0 Ų060.5 Ų60.50%030%0.304CS..Hα-helixtrans-62.4-43176.4179.757.1000111.5L219 K220 S225 N226 L227 A367 L371 F379 I386 V390L219-L223 WeakPolarHBondContact O-CB 3.44Å; L219-L223 PolarHBondContact O-N 3.28Å; K220-L223 PolarHBondContact O-N 3.43Å; L223-S225 PolarHBondContact O-N 3.46Å; L223-N226 PolarHBondContact O-N 2.57Å; L223-L227 WeakPolarHBondContact O-CB 3.4Å; L223-L227 PolarHBondContact O-N 3.06Å; L223-A367 HydrophobicContact CD1-CB 4.19Å; L223-L371 HydrophobicContact CB-CD2 4.06Å; L223-L371 HydrophobicContact CD2-CD2 3.76Å; L223-L371 HydrophobicContact CD2-CG 3.96Å; L223-L371 HydrophobicContact CG-CD1 4.47Å; L223-L371 HydrophobicContact CG-CD2 3.88Å; L223-L371 HydrophobicContact CG-CG 4.16Å; L223-F379 HydrophobicContact CD2-CE2 4.24Å; L223-F379 HydrophobicContact CD2-CZ 4.32Å; L223-I386 HydrophobicContact CD1-CG2 4.04Å; L223-I386 HydrophobicContact CD2-CG2 4.43Å; L223-V390 HydrophobicContact CD1-CG2 4.29Å
224E95.6Very high92Very high81 Ų8158.4 Ų58.438%0.37929%0.288SS..Hα-helixtrans-59.3-45.2175.2-75.4171.7172.900112K220 Q221 L227 T228 L371K220-E224 WeakPolarHBondContact O-CB 3.47Å; K220-E224 WeakPolarHBondContact O-CG 3.22Å; K220-E224 PolarHBondContact O-N 3.48Å; Q221-E224 PolarHBondContact O-N 3.38Å; E224-L227 PolarHBondContact O-N 3.34Å; E224-T228 WeakPolarHBondContact O-CB 3.34Å; E224-T228 PolarHBondContact O-N 3.26Å; E224-T228 PolarHBondContact O-OG1 2.94Å; E224-L371 HydrophobicContact CG-CD1 3.77Å; E224-L371 HydrophobicContact CG-CD2 3.63Å; E224-L371 HydrophobicContact CG-CG 4.33Å
225S96.1Very high92.2Very high65 Ų6557.4 Ų57.446%0.45529%0.288SS..Hα-helixtrans-62.8-49.7177.3-174.60000111.6Q221 N222 L223 L227 T228 N229Q221-S225 WeakPolarHBondContact O-CB 3.48Å; Q221-S225 PolarHBondContact O-N 3.16Å; N222-S225 PolarHBondContact O-N 2.96Å; L223-S225 PolarHBondContact O-N 3.46Å; S225-L227 VanDerWaalsContact C-N 3.33Å; S225-L227 PolarHBondContact O-N 3.17Å; S225-T228 PolarHBondContact O-N 3.34Å; S225-N229 PolarHBondContact O-N 3.15Å; S225-N229 PolarHBondContact O-ND2 3.16Å
226N92.8Very high92.2Very high30 Ų3058.1 Ų58.116%0.1629%0.294CS..Hα-helixtrans-63.2-40.3179.1-71.2-32.8000111.9N222 L223 N229 L230 V390N222-N226 WeakPolarHBondContact O-CB 3.39Å; N222-N226 VanDerWaalsContact O-CG 3.3Å; N222-N226 PolarHBondContact O-N 2.87Å; N222-N226 PolarHBondContact O-ND2 3.46Å; N222-N226 VanDerWaalsContact O-ND2 3.14Å; N222-N226 PolarHBondContact OD1-ND2 3.43Å; L223-N226 PolarHBondContact O-N 2.57Å; N226-N229 PolarHBondContact O-N 2.79Å; N226-L230 PolarHBondContact O-N 2.8Å; N226-V390 HydrophobicContact CB-CG1 3.8Å; N226-V390 WeakPolarHBondContact O-CG1 3.37Å
227L95.3Very high92.1Very high8 Ų857.5 Ų57.54%0.04229%0.292CS..Hα-helixtrans-64.6-43.7176.7-177.759.5000111.3L223 E224 S225 N229 L230 I231 I364 A367 E368 L371L223-L227 WeakPolarHBondContact O-CB 3.4Å; L223-L227 PolarHBondContact O-N 3.06Å; E224-L227 PolarHBondContact O-N 3.34Å; S225-L227 VanDerWaalsContact C-N 3.33Å; S225-L227 PolarHBondContact O-N 3.17Å; L227-N229 VanDerWaalsContact C-N 3.3Å; L227-N229 PolarHBondContact O-N 2.85Å; L227-L230 PolarHBondContact O-N 3.44Å; L227-I231 HydrophobicContact CD1-CD1 4.19Å; L227-I231 HydrophobicContact CD1-CG1 4.35Å; L227-I231 HydrophobicContact CG-CD1 3.91Å; L227-I231 HydrophobicContact CG-CG1 4.49Å; L227-I231 VanDerWaalsContact O-CG1 3.31Å; L227-I231 WeakPolarHBondContact O-CG1 3.46Å; L227-I231 PolarHBondContact O-N 2.98Å; L227-I364 HydrophobicContact CD1-CB 4.12Å; L227-I364 HydrophobicContact CD1-CG1 3.94Å; L227-I364 HydrophobicContact CD1-CG2 4.02Å; L227-A367 HydrophobicContact CD1-CB 3.76Å; L227-A367 HydrophobicContact CD2-CB 3.92Å; L227-A367 HydrophobicContact CG-CB 4.35Å; L227-E368 HydrophobicContact CD2-CG 3.89Å; L227-L371 HydrophobicContact CD2-CD1 3.61Å
228T96Very high92.1Very high88 Ų8858.5 Ų58.554%0.5429%0.294SS..Hα-helixtrans-60.1-42.3176.3-57.90000111.2E224 S225 I231 K232E224-T228 WeakPolarHBondContact O-CB 3.34Å; E224-T228 PolarHBondContact O-N 3.26Å; E224-T228 PolarHBondContact O-OG1 2.94Å; S225-T228 PolarHBondContact O-N 3.34Å; T228-I231 PolarHBondContact O-N 3.44Å; T228-K232 WeakPolarHBondContact O-CB 3.42Å; T228-K232 PolarHBondContact O-N 3.14Å
229N93.4Very high91.9Very high79 Ų7957 Ų5742%0.42229%0.294SS..Hα-helixtrans-62.9-43.8175.6-69.7-31.4000112S225 N226 L227 K232 R233S225-N229 PolarHBondContact O-N 3.15Å; S225-N229 PolarHBondContact O-ND2 3.16Å; N226-N229 PolarHBondContact O-N 2.79Å; L227-N229 VanDerWaalsContact C-N 3.3Å; L227-N229 PolarHBondContact O-N 2.85Å; N229-K232 PolarHBondContact O-N 3.21Å; N229-R233 VanDerWaalsContact O-CB 3.32Å; N229-R233 WeakPolarHBondContact O-CB 3.22Å; N229-R233 PolarHBondContact O-N 3Å
230L90.7Very high91.8Very high1 Ų157.6 Ų57.61%0.00530%0.297CS..Hα-helixtrans-63.4-43.9177-17759.2000111.8N226 L227 R233 N234 L363 I364 V390 A393N226-L230 PolarHBondContact O-N 2.8Å; L227-L230 PolarHBondContact O-N 3.44Å; L230-R233 PolarHBondContact O-N 2.81Å; L230-N234 PolarHBondContact O-N 3.23Å; L230-L363 HydrophobicContact CD2-CD2 4.35Å; L230-I364 HydrophobicContact CD2-CD1 4.41Å; L230-I364 HydrophobicContact CD2-CG1 3.84Å; L230-I364 HydrophobicContact CG-CD1 4.24Å; L230-I364 HydrophobicContact CG-CG1 4.14Å; L230-V390 HydrophobicContact CB-CG1 4.12Å; L230-V390 HydrophobicContact CD2-CG1 3.94Å; L230-V390 HydrophobicContact CD2-CG2 4.47Å; L230-A393 HydrophobicContact CD1-CB 4.09Å; L230-A393 HydrophobicContact CD2-CB 4.18Å
231I94.1Very high91.5Very high63 Ų6356.6 Ų56.632%0.32329%0.294SS..Hα-helixtrans-61.3-49.5176.7-69.5166.8000110.4L227 T228 R233 N234 T235 I364L227-I231 HydrophobicContact CD1-CD1 4.19Å; L227-I231 HydrophobicContact CD1-CG1 4.35Å; L227-I231 HydrophobicContact CG-CD1 3.91Å; L227-I231 HydrophobicContact CG-CG1 4.49Å; L227-I231 VanDerWaalsContact O-CG1 3.31Å; L227-I231 WeakPolarHBondContact O-CG1 3.46Å; L227-I231 PolarHBondContact O-N 2.98Å; T228-I231 PolarHBondContact O-N 3.44Å; I231-R233 VanDerWaalsContact C-N 3.26Å; I231-R233 PolarHBondContact O-N 2.75Å; I231-N234 WeakPolarHBondContact O-CB 3.46Å; I231-N234 PolarHBondContact O-N 3.18Å; I231-N234 VanDerWaalsContact O-N 3.15Å; I231-T235 PolarHBondContact O-N 2.92Å; I231-I364 HydrophobicContact CD1-CG2 4.11Å; I231-I364 HydrophobicContact CG1-CD1 3.98Å; I231-I364 HydrophobicContact CG1-CG1 4.19Å; I231-I364 HydrophobicContact CG1-CG2 3.95Å
232K92.2Very high91.1Very high127 Ų12753.3 Ų53.355%0.55229%0.288SS*.Hα-helixtrans-57-42.3176.4-178.6-176.5174.3-173.80111.4T228 N229 T235 E236T228-K232 WeakPolarHBondContact O-CB 3.42Å; T228-K232 PolarHBondContact O-N 3.14Å; N229-K232 PolarHBondContact O-N 3.21Å; K232-T235 PolarHBondContact O-N 3.18Å; K232-T235 PolarHBondContact O-OG1 3.21Å; K232-E236 WeakPolarHBondContact CE-OE1 3.45Å; K232-E236 WeakPolarHBondContact O-CG 3.4Å; K232-E236 PolarHBondContact O-N 2.84Å; K232-E236 VanDerWaalsContact O-N 3.1Å
233R87.6Confident90.7Very high42 Ų4254.5 Ų54.516%0.15829%0.29CS..Hα-helixtrans-66.2-40.4178.9-16863.6-172113.69.2111.5N229 L230 I231 E236 L237 S397N229-R233 VanDerWaalsContact O-CB 3.32Å; N229-R233 WeakPolarHBondContact O-CB 3.22Å; N229-R233 PolarHBondContact O-N 3Å; L230-R233 PolarHBondContact O-N 2.81Å; I231-R233 VanDerWaalsContact C-N 3.26Å; I231-R233 PolarHBondContact O-N 2.75Å; R233-E236 WeakPolarHBondContact CD-OE2 3.39Å; R233-E236 IonicContact CZ-OE2 3.44Å; R233-E236 IonicContact NH1-OE2 3.01Å; R233-E236 PolarHBondContact NH1-OE2 2.91Å; R233-E236 WeakPolarHBondContact O-CB 3.15Å; R233-E236 PolarHBondContact O-N 3.08Å; R233-L237 VanDerWaalsContact O-CG 3.32Å; R233-L237 WeakPolarHBondContact O-CG 3.23Å; R233-L237 PolarHBondContact O-N 3.37Å; R233-S397 VanDerWaalsContact CG-OG 3.26Å; R233-S397 WeakPolarHBondContact CG-OG 3.49Å; R233-S397 PolarHBondContact NH2-O 3.07Å; R233-S397 VanDerWaalsContact NH2-O 3.15Å
234N89.6Confident90.3Very high10 Ų1054.5 Ų54.55%0.05329%0.29CS..Hα-helixtrans-61.2-42.6174.2-89.55.7000113.1L230 I231 E236 L237 E238 S360 I364L230-N234 PolarHBondContact O-N 3.23Å; I231-N234 WeakPolarHBondContact O-CB 3.46Å; I231-N234 PolarHBondContact O-N 3.18Å; I231-N234 VanDerWaalsContact O-N 3.15Å; N234-E236 VanDerWaalsContact C-N 3.33Å; N234-E236 PolarHBondContact O-N 3.34Å; N234-L237 WeakPolarHBondContact O-CB 3.3Å; N234-L237 PolarHBondContact O-N 3.45Å; N234-L237 VanDerWaalsContact O-N 3.11Å; N234-E238 WeakPolarHBondContact O-CG 3.17Å; N234-E238 PolarHBondContact O-N 2.96Å; N234-S360 VanDerWaalsContact CG-OG 3.31Å; N234-S360 WeakPolarHBondContact ND2-CB 3.47Å; N234-S360 PolarHBondContact ND2-OG 3.1Å; N234-S360 PolarHBondContact OD1-OG 3.38Å; N234-I364 WeakPolarHBondContact ND2-CD1 3.38Å
235T91.1Very high89.8Confident66 Ų6653.6 Ų53.641%0.40529%0.287SS..Hα-helixtrans-66.9-35.4178.258.10000112.2I231 K232 L237 E238 T239I231-T235 PolarHBondContact O-N 2.92Å; K232-T235 PolarHBondContact O-N 3.18Å; K232-T235 PolarHBondContact O-OG1 3.21Å; T235-L237 VanDerWaalsContact C-N 3.34Å; T235-E238 PolarHBondContact O-N 2.95Å; T235-T239 PolarHBondContact O-N 3.36Å; T235-T239 PolarHBondContact O-OG1 3.34Å
236E89.3Confident89.3Confident77 Ų7756.7 Ų56.736%0.3629%0.294SS..Hα-helixtrans-61.1-42.3169.4-70.3169-173.200111.6K232 R233 N234 T239 L240K232-E236 WeakPolarHBondContact CE-OE1 3.45Å; K232-E236 WeakPolarHBondContact O-CG 3.4Å; K232-E236 PolarHBondContact O-N 2.84Å; K232-E236 VanDerWaalsContact O-N 3.1Å; R233-E236 WeakPolarHBondContact CD-OE2 3.39Å; R233-E236 IonicContact CZ-OE2 3.44Å; R233-E236 IonicContact NH1-OE2 3.01Å; R233-E236 PolarHBondContact NH1-OE2 2.91Å; R233-E236 WeakPolarHBondContact O-CB 3.15Å; R233-E236 PolarHBondContact O-N 3.08Å; N234-E236 VanDerWaalsContact C-N 3.33Å; N234-E236 PolarHBondContact O-N 3.34Å; E236-T239 WeakPolarHBondContact O-CB 3.37Å; E236-T239 PolarHBondContact O-N 2.95Å; E236-L240 WeakPolarHBondContact O-CG 3.29Å; E236-L240 PolarHBondContact O-N 3.34Å
237L87.2Confident88.7Confident0 Ų057.4 Ų57.40%030%0.3CS..Hα-helixtrans-65.6-40.3177.2-68.1-173.7000112.9R233 N234 T235 T239 L240 L241 C356 I357 I401R233-L237 VanDerWaalsContact O-CG 3.32Å; R233-L237 WeakPolarHBondContact O-CG 3.23Å; R233-L237 PolarHBondContact O-N 3.37Å; N234-L237 WeakPolarHBondContact O-CB 3.3Å; N234-L237 PolarHBondContact O-N 3.45Å; N234-L237 VanDerWaalsContact O-N 3.11Å; T235-L237 VanDerWaalsContact C-N 3.34Å; L237-T239 VanDerWaalsContact C-N 3.29Å; L237-T239 PolarHBondContact O-N 3.15Å; L237-L240 HydrophobicContact CD2-CD1 4.23Å; L237-L240 PolarHBondContact O-N 3.03Å; L237-L241 VanDerWaalsContact O-CB 3.26Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 PolarHBondContact O-N 2.92Å; L237-C356 HydrophobicContact CD1-CB 4.3Å; L237-I357 HydrophobicContact CB-CD1 3.96Å; L237-I357 HydrophobicContact CB-CG1 3.99Å; L237-I357 HydrophobicContact CD1-CG1 4.42Å; L237-I401 HydrophobicContact CD1-CD1 3.82Å; L237-I401 HydrophobicContact CD2-CD1 3.29Å; L237-I401 HydrophobicContact CG-CD1 4.17Å
238E89.5Confident88Confident102 Ų10257.8 Ų57.848%0.47730%0.303SS..Hα-helixtrans-60.6-41.5173.6-72.4173.6165.500111.3N234 T235 L241 A242 I357N234-E238 WeakPolarHBondContact O-CG 3.17Å; N234-E238 PolarHBondContact O-N 2.96Å; T235-E238 PolarHBondContact O-N 2.95Å; E238-L241 WeakPolarHBondContact O-CB 3.21Å; E238-L241 PolarHBondContact O-N 3.27Å; E238-A242 PolarHBondContact O-N 3.02Å; E238-I357 HydrophobicContact CG-CD1 3.81Å; E238-I357 HydrophobicContact CG-CG1 4.49Å; E238-I357 HydrophobicContact CG-CG2 4.48Å
239T88.9Confident87.2Confident79 Ų7958.8 Ų58.849%0.48530%0.302SS..Hα-helixtrans-64.8-43176.2-55.20000111.7T235 E236 L237 A242 K243T235-T239 PolarHBondContact O-N 3.36Å; T235-T239 PolarHBondContact O-OG1 3.34Å; E236-T239 WeakPolarHBondContact O-CB 3.37Å; E236-T239 PolarHBondContact O-N 2.95Å; L237-T239 VanDerWaalsContact C-N 3.29Å; L237-T239 PolarHBondContact O-N 3.15Å; T239-A242 PolarHBondContact O-N 2.99Å; T239-K243 WeakPolarHBondContact O-CG 3.34Å; T239-K243 PolarHBondContact O-N 3.01Å
240L84.4Confident86.3Confident46 Ų4661.3 Ų61.324%0.24131%0.311CS..Hα-helixtrans-65.1-40.3175.6-72.1172.2000111.9E236 L237 A242 K243 L244 I404E236-L240 WeakPolarHBondContact O-CG 3.29Å; E236-L240 PolarHBondContact O-N 3.34Å; L237-L240 HydrophobicContact CD2-CD1 4.23Å; L237-L240 PolarHBondContact O-N 3.03Å; L240-A242 VanDerWaalsContact C-N 3.33Å; L240-A242 PolarHBondContact O-N 2.92Å; L240-K243 WeakPolarHBondContact O-CB 3.45Å; L240-K243 PolarHBondContact O-N 3.25Å; L240-L244 WeakPolarHBondContact O-CG 3.32Å; L240-L244 PolarHBondContact O-N 2.81Å; L240-I404 HydrophobicContact CB-CD1 4.47Å
241L87.1Confident85.3Confident22 Ų2263 Ų6312%0.11532%0.321CS..Hα-helixtrans-59.6-44.1175.9177.663.8000111.2L237 E238 K243 L244 I245 I350 C353 K354 I357L237-L241 VanDerWaalsContact O-CB 3.26Å; L237-L241 WeakPolarHBondContact O-CB 3.45Å; L237-L241 PolarHBondContact O-N 2.92Å; E238-L241 WeakPolarHBondContact O-CB 3.21Å; E238-L241 PolarHBondContact O-N 3.27Å; L241-K243 PolarHBondContact O-N 3.26Å; L241-L244 PolarHBondContact O-N 2.96Å; L241-I245 HydrophobicContact CD1-CD1 4.17Å; L241-I245 HydrophobicContact CD1-CG1 4.47Å; L241-I245 HydrophobicContact CG-CD1 4.05Å; L241-I245 VanDerWaalsContact O-CG1 3.3Å; L241-I245 WeakPolarHBondContact O-CG1 3.42Å; L241-I245 PolarHBondContact O-N 2.99Å; L241-I350 HydrophobicContact CD1-CB 4.21Å; L241-I350 HydrophobicContact CD1-CG1 4.24Å; L241-I350 HydrophobicContact CD1-CG2 3.76Å; L241-C353 HydrophobicContact CD1-CB 4.29Å; L241-K354 HydrophobicContact CD1-CG 4.03Å; L241-K354 HydrophobicContact CD2-CG 3.78Å; L241-I357 HydrophobicContact CD2-CD1 4.25Å
242A87.4Confident84Confident58 Ų5864.6 Ų64.648%0.47933%0.327SS..Hα-helixtrans-60.1-44.4175.400000111.9E238 T239 L240 I245 Q246E238-A242 PolarHBondContact O-N 3.02Å; T239-A242 PolarHBondContact O-N 2.99Å; L240-A242 VanDerWaalsContact C-N 3.33Å; L240-A242 PolarHBondContact O-N 2.92Å; A242-I245 PolarHBondContact O-N 3.31Å; A242-Q246 PolarHBondContact O-N 3.29Å
243K85.4Confident82.3Confident100 Ų10063 Ų6344%0.43533%0.328SS..Hα-helixtrans-61-45.3175.6-69.6175.7-178.51790112.1T239 L240 L241 I245 Q246 T247 L406T239-K243 WeakPolarHBondContact O-CG 3.34Å; T239-K243 PolarHBondContact O-N 3.01Å; L240-K243 WeakPolarHBondContact O-CB 3.45Å; L240-K243 PolarHBondContact O-N 3.25Å; L241-K243 PolarHBondContact O-N 3.26Å; K243-I245 PolarHBondContact O-N 3.25Å; K243-Q246 WeakPolarHBondContact O-CB 3.43Å; K243-Q246 PolarHBondContact O-N 3.18Å; K243-T247 PolarHBondContact O-N 3.15Å; K243-T247 PolarHBondContact O-OG1 3.18Å; K243-T247 VanDerWaalsContact O-OG1 3.13Å; K243-L406 HydrophobicContact CD-CD1 4.46Å
244L82.7Confident80.8Confident0 Ų065.6 Ų65.60%035%0.348CS..Hα-helixtrans-60.1-43.9177.3-77.1174.1000112.2L240 L241 Q246 T247 C248 L346 Q349 I350 I404 L406L240-L244 WeakPolarHBondContact O-CG 3.32Å; L240-L244 PolarHBondContact O-N 2.81Å; L241-L244 PolarHBondContact O-N 2.96Å; L244-Q246 VanDerWaalsContact C-N 3.31Å; L244-Q246 PolarHBondContact O-N 2.74Å; L244-T247 PolarHBondContact O-N 3.18Å; L244-C248 PolarHBondContact O-N 2.95Å; L244-L346 HydrophobicContact CD2-CD2 3.75Å; L244-Q349 HydrophobicContact CD1-CB 4.16Å; L244-I350 HydrophobicContact CB-CD1 4.13Å; L244-I350 HydrophobicContact CB-CG1 3.72Å; L244-I350 HydrophobicContact CD1-CG1 4.04Å; L244-I350 HydrophobicContact CG-CG1 4.49Å; L244-I404 HydrophobicContact CD1-CD1 3.83Å; L244-I404 HydrophobicContact CD2-CD1 4.22Å; L244-I404 HydrophobicContact CD2-CG2 3.67Å; L244-I404 HydrophobicContact CG-CD1 4.13Å; L244-L406 HydrophobicContact CD2-CD2 4.33Å
245I85.5Confident78.8Confident62 Ų6272.3 Ų72.332%0.31838%0.377SS..Hα-helixtrans-61.3-43.1176.7-69.5167000110.2L241 A242 K243 C248 Q249 I350L241-I245 HydrophobicContact CD1-CD1 4.17Å; L241-I245 HydrophobicContact CD1-CG1 4.47Å; L241-I245 HydrophobicContact CG-CD1 4.05Å; L241-I245 VanDerWaalsContact O-CG1 3.3Å; L241-I245 WeakPolarHBondContact O-CG1 3.42Å; L241-I245 PolarHBondContact O-N 2.99Å; A242-I245 PolarHBondContact O-N 3.31Å; K243-I245 PolarHBondContact O-N 3.25Å; I245-C248 WeakPolarHBondContact O-CB 3.25Å; I245-C248 PolarHBondContact O-N 3.22Å; I245-Q249 WeakPolarHBondContact O-CG 3.47Å; I245-Q249 PolarHBondContact O-N 3.16Å; I245-I350 HydrophobicContact CG1-CD1 4.12Å
246Q84.6Confident76.4Confident131 Ų13175.5 Ų75.561%0.61239%0.392SS*.Hα-helixtrans-62.2-43.1176.1-171.9-177.76.800112.2A242 K243 L244 Q249 H250A242-Q246 PolarHBondContact O-N 3.29Å; K243-Q246 WeakPolarHBondContact O-CB 3.43Å; K243-Q246 PolarHBondContact O-N 3.18Å; L244-Q246 VanDerWaalsContact C-N 3.31Å; L244-Q246 PolarHBondContact O-N 2.74Å; Q246-Q249 PolarHBondContact O-N 2.98Å; Q246-H250 PolarHBondContact O-N 3.29Å
247T80.1Confident74Confident44 Ų4480.3 Ų80.327%0.2741%0.414SS..Hα-helixtrans-62.6-42.7175.5-56.40000111.7K243 L244 Q249 H250 V251 L346K243-T247 PolarHBondContact O-N 3.15Å; K243-T247 PolarHBondContact O-OG1 3.18Å; K243-T247 VanDerWaalsContact O-OG1 3.13Å; L244-T247 PolarHBondContact O-N 3.18Å; T247-Q249 PolarHBondContact O-N 3.16Å; T247-H250 PolarHBondContact O-N 3.08Å; T247-V251 WeakPolarHBondContact O-CG2 3.44Å; T247-V251 PolarHBondContact O-N 3.32Å; T247-L346 HydrophobicContact CG2-CD1 4.39Å
248C80.4Confident71.8Confident17 Ų1787.8 Ų87.812%0.11545%0.447CS..Hα-helixtrans-57.8-47.2173.7-78.40000111.8L244 I245 H250 V251 E252 L346L244-C248 PolarHBondContact O-N 2.95Å; I245-C248 WeakPolarHBondContact O-CB 3.25Å; I245-C248 PolarHBondContact O-N 3.22Å; C248-H250 VanDerWaalsContact C-N 3.33Å; C248-H250 PolarHBondContact O-N 3.2Å; C248-V251 PolarHBondContact O-N 3.01Å; C248-E252 WeakPolarHBondContact O-CG 3.41Å; C248-E252 PolarHBondContact O-N 3.41Å; C248-L346 VanDerWaalsContact SG-CB 3.5Å
249Q79.9Confident69.6Low109 Ų10990.3 Ų90.351%0.50947%0.469SS..Hα-helixtrans-60.2-42.2177.4-72171.3-7.800111.6I245 Q246 T247 V251 E252 T253I245-Q249 WeakPolarHBondContact O-CG 3.47Å; I245-Q249 PolarHBondContact O-N 3.16Å; Q246-Q249 PolarHBondContact O-N 2.98Å; T247-Q249 PolarHBondContact O-N 3.16Å; Q249-V251 PolarHBondContact O-N 2.91Å; Q249-E252 PolarHBondContact O-N 3.45Å; Q249-E252 VanDerWaalsContact O-N 3.15Å; Q249-T253 VanDerWaalsContact O-CG2 3.32Å; Q249-T253 WeakPolarHBondContact O-CG2 3.46Å; Q249-T253 PolarHBondContact O-N 3.27Å; Q249-T253 PolarHBondContact O-OG1 3.41Å
250H74.6Confident67.2Low132 Ų13292.8 Ų92.861%0.61148%0.477SS*.Hα-helixtrans-60.1-46176.4-17367.2000111.9Q246 T247 C248 E252 T253Q246-H250 PolarHBondContact O-N 3.29Å; T247-H250 PolarHBondContact O-N 3.08Å; C248-H250 VanDerWaalsContact C-N 3.33Å; C248-H250 PolarHBondContact O-N 3.2Å; H250-E252 VanDerWaalsContact C-N 3.25Å; H250-E252 PolarHBondContact O-N 2.85Å; H250-T253 PolarHBondContact O-N 3.06Å; H250-T253 PolarHBondContact O-OG1 3.4Å
251V70.1Confident64.6Low35 Ų3593.6 Ų93.621%0.21250%0.497CS..Hα-helixtrans-62.8-32.2176.3175.20000111.8T247 C248 Q249 K339 L343T247-V251 WeakPolarHBondContact O-CG2 3.44Å; T247-V251 PolarHBondContact O-N 3.32Å; C248-V251 PolarHBondContact O-N 3.01Å; Q249-V251 PolarHBondContact O-N 2.91Å; V251-K339 HydrophobicContact CG1-CD 4.4Å; V251-K339 HydrophobicContact CG1-CG 4.02Å; V251-K339 WeakPolarHBondContact O-CE 3.29Å; V251-K339 PolarHBondContact O-NZ 3.46Å; V251-L343 HydrophobicContact CB-CD2 4.09Å; V251-L343 HydrophobicContact CG1-CD1 4.33Å; V251-L343 HydrophobicContact CG1-CD2 3.72Å; V251-L343 HydrophobicContact CG1-CG 3.96Å
252E67.6Low62.2Low97 Ų97102.2 Ų102.245%0.45353%0.528SS..Hα-helixtrans-74.6-40.8176.7-72.9-179.6163.800113.4C248 Q249 H250 V254 K255 L343C248-E252 WeakPolarHBondContact O-CG 3.41Å; C248-E252 PolarHBondContact O-N 3.41Å; Q249-E252 PolarHBondContact O-N 3.45Å; Q249-E252 VanDerWaalsContact O-N 3.15Å; H250-E252 VanDerWaalsContact C-N 3.25Å; H250-E252 PolarHBondContact O-N 2.85Å; E252-V254 PolarHBondContact O-N 2.75Å; E252-V254 VanDerWaalsContact O-N 3.15Å; E252-K255 WeakPolarHBondContact O-CB 3.42Å; E252-K255 VanDerWaalsContact O-CG 3.29Å; E252-K255 WeakPolarHBondContact O-CG 3.43Å; E252-K255 PolarHBondContact O-N 3.02Å; E252-K255 VanDerWaalsContact O-N 3.09Å; E252-L343 HydrophobicContact CG-CD2 4.42Å
253T55.4Low59.7Low95 Ų95109 Ų10958%0.58355%0.55SS**Hα-helixtrans-64.4-15.4-177.555.10000115.4Q249 H250 K255 D256Q249-T253 VanDerWaalsContact O-CG2 3.32Å; Q249-T253 WeakPolarHBondContact O-CG2 3.46Å; Q249-T253 PolarHBondContact O-N 3.27Å; Q249-T253 PolarHBondContact O-OG1 3.41Å; H250-T253 PolarHBondContact O-N 3.06Å; H250-T253 PolarHBondContact O-OG1 3.4Å; T253-K255 PolarHBondContact O-N 3.28Å; T253-D256 PolarHBondContact O-N 3.09Å
254V55.4Low57.1Low96 Ų96111.9 Ų111.958%0.58256%0.563SS**G310 helixtrans-64.5-5170.3-171.60000112.4E252 D256E252-V254 PolarHBondContact O-N 2.75Å; E252-V254 VanDerWaalsContact O-N 3.15Å; V254-D256 PolarHBondContact O-N 3.32Å
255K48.1Very low54.7Low150 Ų150120.5 Ų120.565%0.65260%0.603SS**G310 helixtrans-61.8-22174.8-80.4177.8176.5177.50114.2E252 T253E252-K255 WeakPolarHBondContact O-CB 3.42Å; E252-K255 VanDerWaalsContact O-CG 3.29Å; E252-K255 WeakPolarHBondContact O-CG 3.43Å; E252-K255 PolarHBondContact O-N 3.02Å; E252-K255 VanDerWaalsContact O-N 3.09Å; T253-K255 PolarHBondContact O-N 3.28Å
256D39.8Very low52Low134 Ų134126 Ų12672%0.71763%0.627SS**G310 helixtrans-129.619.9-164.5-66.2-46.1000116.9T253 V254 K258T253-D256 PolarHBondContact O-N 3.09Å; V254-D256 PolarHBondContact O-N 3.32Å; D256-K258 PolarHBondContact O-N 3.05Å
257Q39.2Very low49.4Very low178 Ų178128.7 Ų128.783%0.83263%0.633SS**SBendtrans-81.372.9154.6-88.7158.4-6.600108.9V259Q257-V259 PolarHBondContact O-N 2.93Å
258K42.1Very low47Very low157 Ų157137.6 Ų137.668%0.68366%0.663SS**  trans17.8106.2139.4-84.4171.9165.4-174.70112.9D256 I260D256-K258 PolarHBondContact O-N 3.05Å; K258-I260 HydrophobicContact CB-CB 3.91Å; K258-I260 HydrophobicContact CB-CD1 4.28Å; K258-I260 HydrophobicContact CB-CG1 3.77Å; K258-I260 HydrophobicContact CD-CB 4.4Å; K258-I260 HydrophobicContact CD-CD1 3.49Å; K258-I260 VanDerWaalsContact CD-CD1 3.49Å; K258-I260 HydrophobicContact CD-CG1 3.97Å; K258-I260 VanDerWaalsContact CE-CD1 3.45Å; K258-I260 HydrophobicContact CG-CB 4.36Å; K258-I260 HydrophobicContact CG-CD1 3.76Å; K258-I260 HydrophobicContact CG-CG1 3.76Å; K258-I260 PolarHBondContact O-N 3.24Å
259V42.6Very low44.8Very low155 Ų155141.2 Ų141.294%0.93969%0.687SS**SBendtrans-60.163.6139.3-174.60000107.6Q257Q257-V259 PolarHBondContact O-N 2.93Å
260I38.3Very low42.5Very low130 Ų130147.4 Ų147.467%0.66771%0.706SS**  trans-119.377.6160.8-60.1-171.5000102.8K258K258-I260 HydrophobicContact CB-CB 3.91Å; K258-I260 HydrophobicContact CB-CD1 4.28Å; K258-I260 HydrophobicContact CB-CG1 3.77Å; K258-I260 HydrophobicContact CD-CB 4.4Å; K258-I260 HydrophobicContact CD-CD1 3.49Å; K258-I260 VanDerWaalsContact CD-CD1 3.49Å; K258-I260 HydrophobicContact CD-CG1 3.97Å; K258-I260 VanDerWaalsContact CE-CD1 3.45Å; K258-I260 HydrophobicContact CG-CB 4.36Å; K258-I260 HydrophobicContact CG-CD1 3.76Å; K258-I260 HydrophobicContact CG-CG1 3.76Å; K258-I260 PolarHBondContact O-N 3.24Å
261G31.1Very low40.3Very low64 Ų64147.3 Ų147.366%0.6671%0.71SS**SBendtrans-158.564-171.400000109.2
262R36.9Very low38.5Very low203 Ų203154.8 Ų154.877%0.76673%0.734SS**  trans83.173.2166.4-52.6179.6-171.8-147.4-4116.4K264R262-K264 HydrophobicContact CB-CG 4.23Å; R262-K264 PolarHBondContact O-N 3.46Å
263E34.7Very low36.6Very low201 Ų201161.3 Ų161.394%0.93975%0.754SS**  -58.987.5122.9-83.8-179.4150.700106.7Q265E263-Q265 PolarHBondContact O-N 3.26Å
264K29.6Very low35.3Very low160 Ų160164.4 Ų164.470%0.69676%0.76SS**  trans-72.691155.4-89.2-173.3176.6-171.80106R262R262-K264 HydrophobicContact CB-CG 4.23Å; R262-K264 PolarHBondContact O-N 3.46Å
265Q33Very low33.9Very low181 Ų181171 Ų17185%0.84677%0.774SS**  trans-37.7141135-133.1158.46.900109E263E263-Q265 PolarHBondContact O-N 3.26Å
266Q28.6Very low33.1Very low178 Ų178168.5 Ų168.583%0.83277%0.771SS**  trans10598.4166.8-153.1167.220.800115
267Y30.8Very low32.6Very low186 Ų186167.8 Ų167.873%0.72978%0.777SS**  173.598.884.4-169.2-105.3000111P269Y267-P269 HydrophobicContact CD1-CG 4.26Å; Y267-P269 HydrophobicContact CE1-CB 3.8Å; Y267-P269 HydrophobicContact CE1-CG 3.83Å
268Y28.9Very low32.1Very low231 Ų231165.9 Ų165.991%0.90677%0.772SS**  trans-96.3116.7156-87.8-85.7000107.3R270Y268-R270 PolarHBondContact O-N 3.47Å; Y268-R270 VanDerWaalsContact O-N 3.11Å
269P34Very low31.8Very low94 Ų94163.3 Ų163.361%0.6177%0.774SS**  trans-76.3103.6166.528.3-25.7000108.6Y267 N271Y267-P269 HydrophobicContact CD1-CG 4.26Å; Y267-P269 HydrophobicContact CE1-CB 3.8Å; Y267-P269 HydrophobicContact CE1-CG 3.83Å; P269-N271 PolarHBondContact O-N 3.32Å
270R30.9Very low31.1Very low239 Ų239163.4 Ų163.490%0.90277%0.768SS**  trans-75.697.1157.9-156.8-176.6-160.9-170.96.5107.1Y268Y268-R270 PolarHBondContact O-N 3.47Å; Y268-R270 VanDerWaalsContact O-N 3.11Å
271N29.1Very low30.6Very low130 Ų130165.7 Ų165.770%0.69578%0.776SS**  trans-173.3123.2142.9-103.9-21.2000115.4P269P269-N271 PolarHBondContact O-N 3.32Å
272R32Very low30.8Very low192 Ų192167 Ų16773%0.72578%0.781SS**  38.4114.1126.7-65.9176.7-156.2-127.9-5.5117.4
273R28.8Very low30.6Very low234 Ų234168.2 Ų168.288%0.88379%0.786SS**  -122.7108.7118.6-70.8-169.5-174.4-155.82.6110.1W275R273-W275 PolarHBondContact O-N 3.15Å
274K28.5Very low30.4Very low160 Ų160165.8 Ų165.870%0.69678%0.778SS**  trans-53125.7151.7-81.2175.1170.9-179.80107.4
275W25.9Very low30.8Very low235 Ų235166.4 Ų166.489%0.8979%0.786SS**  trans-10794.2145.4-8588.5000106.8R273R273-W275 PolarHBondContact O-N 3.15Å
276V30.1Very low30.8Very low96 Ų96160.9 Ų160.958%0.58278%0.777SS**  trans-91.1121.3158.3174.30000105.5
277S30.2Very low30.9Very low120 Ų120164.4 Ų164.484%0.83978%0.783SS**  trans-133.1111144.7-152.50000107.3
278N29Very low30.9Very low138 Ų138164 Ų16474%0.73878%0.781SS**  trans-79149-179.1-87.2-18.5000111.4
279S35.1Very low31.2Very low103 Ų103156.9 Ų156.972%0.7276%0.764SS**  trans1.6130.8152.3-51.10000120.3
280L27.1Very low31.2Very low156 Ų156157.2 Ų157.282%0.81776%0.759SS**  -175.4143.7113.3-119.388.5000113.3
281Q29.3Very low31.4Very low178 Ų178148.1 Ų148.183%0.83273%0.732SS**  trans72.7107157.4-87172.4-11.600122.2
282A34.5Very low31.7Very low93 Ų93151.4 Ų151.477%0.76974%0.735SS**  trans-49.516014400000113.4
283R32.3Very low31.8Very low228 Ų228151.5 Ų151.586%0.8674%0.735SS**  trans88.372172.6-61.9-176.2173.4-175.6-1.6117.6
284L31.8Very low31.9Very low149 Ų149144.5 Ų144.578%0.7871%0.713SS**  trans-146.574.7132.1-84.4173.9000106.5
285M37.5Very low32.4Very low173 Ų173144.5 Ų144.585%0.85271%0.708SS**  trans-80.3129.5-173.6-69.5-81.8-87.700110.1
286G33.5Very low32.7Very low65 Ų65139.9 Ų139.967%0.6769%0.694SS**SBendtrans144.6-31.7158.800000117.3
287R30.2Very low33.1Very low252 Ų252139.7 Ų139.795%0.95169%0.689SS**SBendtrans-131.5-1.1-174.9-64.1-173.5-175.4-1391.6116
288R30.8Very low33.4Very low179 Ų179137.6 Ų137.668%0.67567%0.672SS**SBendtrans-102.4-3.1-176.8-95.1176.2170.3174.5-3115.4
289C34.6Very low34Very low81 Ų81136.1 Ų136.155%0.54766%0.663SS.*Hα-helixtrans-78.6-23.2-170.2-63.20000114.3R293C289-R293 PolarHBondContact O-N 2.99Å
290I34.7Very low34.1Very low100 Ų100135.3 Ų135.351%0.51365%0.651SS.*Hα-helixtrans-74.6-52.8-179.2-58.6171.7000109.9R292 R293 E294 F472I290-R292 VanDerWaalsContact C-N 3.27Å; I290-R292 PolarHBondContact O-N 2.88Å; I290-R292 VanDerWaalsContact O-N 3.16Å; I290-R293 PolarHBondContact O-N 3.34Å; I290-R293 VanDerWaalsContact O-N 3.09Å; I290-E294 PolarHBondContact O-N 3.27Å; I290-F472 HydrophobicContact CG2-CE1 4.39Å
291S34.6Very low34.8Very low49 Ų49130.6 Ų130.634%0.34363%0.628SS.*Hα-helixtrans-62.8-25.2179.1-171.30000114.6R295S291-R295 WeakPolarHBondContact O-CB 3.5Å; S291-R295 WeakPolarHBondContact O-CG 3.38Å; S291-R295 PolarHBondContact O-N 3.13Å; S291-R295 PolarHBondContact O-NE 3.46Å; S291-R295 PolarHBondContact OG-NE 3.01Å; S291-R295 PolarHBondContact OG-NH2 2.96Å
292R35.3Very low35.4Very low199 Ų199128 Ų12875%0.75162%0.617SS**Hα-helixtrans-78.8-32.4174.6-90.1-171.4179.7-168.50.5113.3I290 K296I290-R292 VanDerWaalsContact C-N 3.27Å; I290-R292 PolarHBondContact O-N 2.88Å; I290-R292 VanDerWaalsContact O-N 3.16Å; R292-K296 WeakPolarHBondContact O-CB 3.46Å; R292-K296 PolarHBondContact O-N 3.19Å; R292-K296 VanDerWaalsContact O-N 3.13Å
293R33.8Very low36Very low194 Ų194130.6 Ų130.673%0.73261%0.61SS**Hα-helixtrans-76.4-42.2177.3-94.7-179.8176.5169.4-1.9111.1C289 I290 K296 L297C289-R293 PolarHBondContact O-N 2.99Å; I290-R293 PolarHBondContact O-N 3.34Å; I290-R293 VanDerWaalsContact O-N 3.09Å; R293-K296 PolarHBondContact O-N 3.39Å; R293-L297 PolarHBondContact O-N 2.73Å
294E32Very low36.7Very low87 Ų87124.4 Ų124.441%0.40760%0.598SS.*Hα-helixtrans-57.2-50.7171.4-72.4167.7165.300110.8I290 K296 L297 T298I290-E294 PolarHBondContact O-N 3.27Å; E294-K296 VanDerWaalsContact C-N 3.27Å; E294-K296 PolarHBondContact O-N 3.41Å; E294-L297 PolarHBondContact O-N 2.98Å; E294-T298 WeakPolarHBondContact O-CG2 3.32Å; E294-T298 PolarHBondContact O-N 2.87Å; E294-T298 PolarHBondContact O-OG1 3.37Å; E294-T298 VanDerWaalsContact O-OG1 3.07Å
295R38.2Very low37.9Very low160 Ų160120.6 Ų120.660%0.60458%0.578SS**Hα-helixtrans-58.9-34.7175.7-77.2-179.4-132.4-159.5-4.5114S291 T298 L299S291-R295 WeakPolarHBondContact O-CB 3.5Å; S291-R295 WeakPolarHBondContact O-CG 3.38Å; S291-R295 PolarHBondContact O-N 3.13Å; S291-R295 PolarHBondContact O-NE 3.46Å; S291-R295 PolarHBondContact OG-NE 3.01Å; S291-R295 PolarHBondContact OG-NH2 2.96Å; R295-T298 WeakPolarHBondContact CA-OG1 3.1Å; R295-T298 PolarHBondContact O-OG1 3.35Å; R295-L299 VanDerWaalsContact O-CB 3.29Å; R295-L299 WeakPolarHBondContact O-CB 3.28Å; R295-L299 VanDerWaalsContact O-CD1 3.3Å; R295-L299 WeakPolarHBondContact O-CD1 3.3Å; R295-L299 VanDerWaalsContact O-CG 3.29Å; R295-L299 WeakPolarHBondContact O-CG 3.45Å; R295-L299 PolarHBondContact O-N 3.09Å; R295-L299 VanDerWaalsContact O-N 3.09Å
296K33.1Very low38.9Very low137 Ų137114.7 Ų114.760%0.59656%0.556SS**Hα-helixtrans-74-42.9179.9-170.6172.9-178.9-177.60111.3R292 R293 E294 L299 D300R292-K296 WeakPolarHBondContact O-CB 3.46Å; R292-K296 PolarHBondContact O-N 3.19Å; R292-K296 VanDerWaalsContact O-N 3.13Å; R293-K296 PolarHBondContact O-N 3.39Å; E294-K296 VanDerWaalsContact C-N 3.27Å; E294-K296 PolarHBondContact O-N 3.41Å; K296-L299 PolarHBondContact O-N 2.96Å; K296-D300 WeakPolarHBondContact O-CB 3.39Å; K296-D300 VanDerWaalsContact O-CG 3.28Å; K296-D300 PolarHBondContact O-N 3.46Å
297L38.2Very low40.3Very low92 Ų92114.5 Ų114.548%0.48255%0.545SS..Hα-helixtrans-64.2-41.6174.4-90.6141.6000112R293 E294 D300 V301 Y482R293-L297 PolarHBondContact O-N 2.73Å; E294-L297 PolarHBondContact O-N 2.98Å; L297-D300 PolarHBondContact O-N 3.33Å; L297-V301 WeakPolarHBondContact O-CB 3.44Å; L297-V301 VanDerWaalsContact O-CG2 3.25Å; L297-V301 WeakPolarHBondContact O-CG2 3.4Å; L297-V301 PolarHBondContact O-N 3.17Å; L297-Y482 WeakPolarHBondContact CD2-OH 3.34Å
298T35.7Very low41.9Very low77 Ų77108.5 Ų108.547%0.47252%0.522SS..Hα-helixtrans-65.7-42175.552.60000112E294 R295 D300 V301 E302E294-T298 WeakPolarHBondContact O-CG2 3.32Å; E294-T298 PolarHBondContact O-N 2.87Å; E294-T298 PolarHBondContact O-OG1 3.37Å; E294-T298 VanDerWaalsContact O-OG1 3.07Å; R295-T298 WeakPolarHBondContact CA-OG1 3.1Å; R295-T298 PolarHBondContact O-OG1 3.35Å; T298-D300 PolarHBondContact O-N 2.85Å; T298-V301 PolarHBondContact O-N 2.93Å; T298-E302 WeakPolarHBondContact O-CB 3.37Å; T298-E302 WeakPolarHBondContact O-CG 3.46Å; T298-E302 PolarHBondContact O-N 3.08Å
299L41.5Very low43.4Very low107 Ų107105.6 Ų105.656%0.5652%0.516SS*.Hα-helixtrans-62.6-40.1175.3-85.6162.4000112.8R295 K296 K303R295-L299 VanDerWaalsContact O-CB 3.29Å; R295-L299 WeakPolarHBondContact O-CB 3.28Å; R295-L299 VanDerWaalsContact O-CD1 3.3Å; R295-L299 WeakPolarHBondContact O-CD1 3.3Å; R295-L299 VanDerWaalsContact O-CG 3.29Å; R295-L299 WeakPolarHBondContact O-CG 3.45Å; R295-L299 PolarHBondContact O-N 3.09Å; R295-L299 VanDerWaalsContact O-N 3.09Å; K296-L299 PolarHBondContact O-N 2.96Å; L299-K303 VanDerWaalsContact O-CB 3.3Å; L299-K303 WeakPolarHBondContact O-CB 3.29Å; L299-K303 PolarHBondContact O-N 2.94Å
300D37.6Very low45.1Very low85 Ų85107.6 Ų107.646%0.45552%0.518SS..Hα-helixtrans-70.1-36.8178.5-71.7-28.9000111.2K296 L297 T298 V304K296-D300 WeakPolarHBondContact O-CB 3.39Å; K296-D300 VanDerWaalsContact O-CG 3.28Å; K296-D300 PolarHBondContact O-N 3.46Å; L297-D300 PolarHBondContact O-N 3.33Å; T298-D300 PolarHBondContact O-N 2.85Å; D300-V304 VanDerWaalsContact O-CG2 3.27Å; D300-V304 WeakPolarHBondContact O-CG2 3.37Å; D300-V304 PolarHBondContact O-N 3.25Å
301V42Very low46.7Very low57 Ų57105.6 Ų105.635%0.34552%0.516SS..Hα-helixtrans-69.3-43.8174.5171.20000112.1L297 T298 K303 V304 N305 Y482L297-V301 WeakPolarHBondContact O-CB 3.44Å; L297-V301 VanDerWaalsContact O-CG2 3.25Å; L297-V301 WeakPolarHBondContact O-CG2 3.4Å; L297-V301 PolarHBondContact O-N 3.17Å; T298-V301 PolarHBondContact O-N 2.93Å; V301-K303 VanDerWaalsContact C-N 3.29Å; V301-K303 PolarHBondContact O-N 3.15Å; V301-V304 PolarHBondContact O-N 3.43Å; V301-N305 VanDerWaalsContact O-CB 3.3Å; V301-N305 WeakPolarHBondContact O-CB 3.45Å; V301-N305 VanDerWaalsContact O-CG 3.27Å; V301-N305 PolarHBondContact O-N 3.06Å; V301-N305 PolarHBondContact O-ND2 3.16Å; V301-Y482 HydrophobicContact CG2-CE1 4.46Å
302E41.5Very low48.4Very low125 Ų125108.1 Ų108.158%0.58452%0.521SS*.Hα-helixtrans-59-42174.6-78.9174.8175.800111.4T298 N305 A306T298-E302 WeakPolarHBondContact O-CB 3.37Å; T298-E302 WeakPolarHBondContact O-CG 3.46Å; T298-E302 PolarHBondContact O-N 3.08Å; E302-N305 PolarHBondContact O-N 3.28Å; E302-A306 WeakPolarHBondContact O-CB 3.26Å; E302-A306 PolarHBondContact O-N 3.15Å
303K46.5Very low50.3Low147 Ų147104 Ų10464%0.63951%0.513SS*.Hα-helixtrans-66.5-44.5178-171.2178.1179.8-175.30112.6L299 V301 N305 A306 S307L299-K303 VanDerWaalsContact O-CB 3.3Å; L299-K303 WeakPolarHBondContact O-CB 3.29Å; L299-K303 PolarHBondContact O-N 2.94Å; V301-K303 VanDerWaalsContact C-N 3.29Å; V301-K303 PolarHBondContact O-N 3.15Å; K303-N305 VanDerWaalsContact C-N 3.34Å; K303-A306 PolarHBondContact O-N 2.9Å; K303-S307 PolarHBondContact O-N 3.4Å; K303-S307 PolarHBondContact O-OG 3.47Å
304V48.7Very low52.3Low98 Ų9898.4 Ų98.459%0.59450%0.501SS*.Hα-helixtrans-66-38.1176.8171.10000111.2D300 V301 R308D300-V304 VanDerWaalsContact O-CG2 3.27Å; D300-V304 WeakPolarHBondContact O-CG2 3.37Å; D300-V304 PolarHBondContact O-N 3.25Å; V301-V304 PolarHBondContact O-N 3.43Å; V304-R308 WeakPolarHBondContact O-CB 3.42Å; V304-R308 PolarHBondContact O-N 3.12Å
305N56.5Low54.5Low69 Ų69100.6 Ų100.637%0.36951%0.511SS..Hα-helixtrans-66.3-42.2175.2-77-23.6000112.3V301 E302 K303 R308 Q309V301-N305 VanDerWaalsContact O-CB 3.3Å; V301-N305 WeakPolarHBondContact O-CB 3.45Å; V301-N305 VanDerWaalsContact O-CG 3.27Å; V301-N305 PolarHBondContact O-N 3.06Å; V301-N305 PolarHBondContact O-ND2 3.16Å; E302-N305 PolarHBondContact O-N 3.28Å; K303-N305 VanDerWaalsContact C-N 3.34Å; N305-R308 PolarHBondContact O-N 2.89Å; N305-Q309 PolarHBondContact O-N 3.18Å
306A58Low56.3Low48 Ų4898.6 Ų98.640%0.39751%0.508SS..Hα-helixtrans-61-49.7174.500000111.3E302 K303 R308 Q309 E310E302-A306 WeakPolarHBondContact O-CB 3.26Å; E302-A306 PolarHBondContact O-N 3.15Å; K303-A306 PolarHBondContact O-N 2.9Å; A306-R308 VanDerWaalsContact C-N 3.29Å; A306-R308 PolarHBondContact O-N 2.78Å; A306-Q309 PolarHBondContact O-N 3.32Å; A306-Q309 VanDerWaalsContact O-N 3.08Å; A306-E310 WeakPolarHBondContact O-CG 3.46Å; A306-E310 PolarHBondContact O-N 3.01Å
307S62.3Low58.6Low62 Ų6294.7 Ų94.743%0.43450%0.498SS..Hα-helixtrans-61.6-34.9176.8-64.90000113K303 A311K303-S307 PolarHBondContact O-N 3.4Å; K303-S307 PolarHBondContact O-OG 3.47Å; S307-A311 WeakPolarHBondContact O-CB 3.5Å; S307-A311 PolarHBondContact O-N 3.46Å
308R64.8Low60.7Low125 Ų12594.8 Ų94.847%0.47250%0.499SS..Hα-helixtrans-66.6-38.6174.1-172.3178.371.1-172.1-0.6111.9V304 N305 A306 K312V304-R308 WeakPolarHBondContact O-CB 3.42Å; V304-R308 PolarHBondContact O-N 3.12Å; N305-R308 PolarHBondContact O-N 2.89Å; A306-R308 VanDerWaalsContact C-N 3.29Å; A306-R308 PolarHBondContact O-N 2.78Å; R308-K312 WeakPolarHBondContact O-CG 3.49Å; R308-K312 PolarHBondContact O-N 3.28Å; R308-K312 VanDerWaalsContact O-N 3.12Å
309Q61.5Low63Low118 Ų11895.2 Ų95.255%0.55150%0.498SS*.Hα-helixtrans-73-37.2178.5-166.562.918.200111.9N305 A306 K312 L313N305-Q309 PolarHBondContact O-N 3.18Å; A306-Q309 PolarHBondContact O-N 3.32Å; A306-Q309 VanDerWaalsContact O-N 3.08Å; Q309-K312 PolarHBondContact O-N 2.97Å; Q309-L313 WeakPolarHBondContact O-CB 3.33Å; Q309-L313 PolarHBondContact O-N 3.44Å
310E69.8Low65Low123 Ų12393.5 Ų93.558%0.57549%0.489SS*.Hα-helixtrans-60.7-43.9171.1-72.8174.9170.700111.7A306 L313 T314A306-E310 WeakPolarHBondContact O-CG 3.46Å; A306-E310 PolarHBondContact O-N 3.01Å; E310-L313 PolarHBondContact O-N 2.96Å; E310-T314 WeakPolarHBondContact O-CB 3.29Å; E310-T314 PolarHBondContact O-N 3.41Å; E310-T314 PolarHBondContact O-OG1 3.15Å
311A69.9Low67.2Low58 Ų5893.3 Ų93.348%0.47949%0.487SS..Hα-helixtrans-62.5-44.8177.100000112.1S307 T314 E315S307-A311 WeakPolarHBondContact O-CB 3.5Å; S307-A311 PolarHBondContact O-N 3.46Å; A311-T314 WeakPolarHBondContact O-CB 3.4Å; A311-T314 PolarHBondContact O-N 3.41Å; A311-E315 PolarHBondContact O-N 2.98Å
312K70.1Confident69.3Low103 Ų10395.5 Ų95.545%0.44849%0.493SS..Hα-helixtrans-62.1-44.5175.4-74.4-179.4178.2-169.90112.6R308 Q309 T314 E315 E316R308-K312 WeakPolarHBondContact O-CG 3.49Å; R308-K312 PolarHBondContact O-N 3.28Å; R308-K312 VanDerWaalsContact O-N 3.12Å; Q309-K312 PolarHBondContact O-N 2.97Å; K312-T314 PolarHBondContact O-N 3.39Å; K312-E315 PolarHBondContact O-N 3Å; K312-E316 WeakPolarHBondContact O-CG 3.42Å; K312-E316 PolarHBondContact O-N 3.37Å
313L73.8Confident71.4Confident112 Ų11293.3 Ų93.359%0.58649%0.485SS*.Hα-helixtrans-59.1-40.2175.917662.5000111.2Q309 E310 C317Q309-L313 WeakPolarHBondContact O-CB 3.33Å; Q309-L313 PolarHBondContact O-N 3.44Å; E310-L313 PolarHBondContact O-N 2.96Å; L313-C317 WeakPolarHBondContact O-CB 3.38Å; L313-C317 PolarHBondContact O-N 2.87Å; L313-C317 PolarHBondContact O-SG 3.38Å
314T76.3Confident73.3Confident77 Ų7790.8 Ų90.847%0.47248%0.477SS..Hα-helixtrans-63.8-47.7177.6-540000110.7E310 A311 K312 E316 C317 D318E310-T314 WeakPolarHBondContact O-CB 3.29Å; E310-T314 PolarHBondContact O-N 3.41Å; E310-T314 PolarHBondContact O-OG1 3.15Å; A311-T314 WeakPolarHBondContact O-CB 3.4Å; A311-T314 PolarHBondContact O-N 3.41Å; K312-T314 PolarHBondContact O-N 3.39Å; T314-E316 PolarHBondContact O-N 3.09Å; T314-C317 PolarHBondContact O-N 3.48Å; T314-D318 WeakPolarHBondContact O-CB 3.47Å; T314-D318 VanDerWaalsContact O-CG 3.29Å; T314-D318 PolarHBondContact O-N 2.94Å
315E77.8Confident75.1Confident132 Ų13290.7 Ų90.762%0.61747%0.471SS*.Hα-helixtrans-59.5-46.6178.4-173.9176.2-169.200112.5A311 K312 D318 L319A311-E315 PolarHBondContact O-N 2.98Å; K312-E315 PolarHBondContact O-N 3Å; E315-D318 PolarHBondContact O-N 3.48Å; E315-L319 PolarHBondContact O-N 2.96Å
316E77.8Confident76.6Confident118 Ų11892.2 Ų92.255%0.55148%0.475SS*.Hα-helixtrans-65.2-39.4177.3-66.5-63.3150.200112K312 T314 L319 L320K312-E316 WeakPolarHBondContact O-CG 3.42Å; K312-E316 PolarHBondContact O-N 3.37Å; T314-E316 PolarHBondContact O-N 3.09Å; E316-L319 PolarHBondContact O-N 2.67Å; E316-L320 WeakPolarHBondContact O-CG 3.35Å; E316-L320 PolarHBondContact O-N 2.82Å; E316-L320 VanDerWaalsContact O-N 3.12Å
317C79.3Confident78Confident55 Ų5597.5 Ų97.537%0.37249%0.485SS..Hα-helixtrans-63.6-44.1174.2-72.60000112L313 T314 L319 L320 I321L313-C317 WeakPolarHBondContact O-CB 3.38Å; L313-C317 PolarHBondContact O-N 2.87Å; L313-C317 PolarHBondContact O-SG 3.38Å; T314-C317 PolarHBondContact O-N 3.48Å; C317-L319 VanDerWaalsContact C-N 3.32Å; C317-L319 PolarHBondContact O-N 3.37Å; C317-L320 PolarHBondContact O-N 3.32Å; C317-I321 WeakPolarHBondContact O-CG1 3.4Å; C317-I321 PolarHBondContact O-N 3.34Å
318D82.4Confident79.2Confident94 Ų94101.8 Ų101.850%0.50349%0.492SS..Hα-helixtrans-63.4-39.9179.4-74.5-23.5000111T314 E315 I321 E322T314-D318 WeakPolarHBondContact O-CB 3.47Å; T314-D318 VanDerWaalsContact O-CG 3.29Å; T314-D318 PolarHBondContact O-N 2.94Å; E315-D318 PolarHBondContact O-N 3.48Å; D318-I321 WeakPolarHBondContact O-CB 3.41Å; D318-I321 PolarHBondContact O-N 3.24Å; D318-E322 PolarHBondContact O-N 3.47Å
319L84.2Confident80.2Confident86 Ų86101 Ų10145%0.4549%0.494SS..Hα-helixtrans-61.6-44.3174.4-174.568.3000112.1E315 E316 C317 I321 E322 I323E315-L319 PolarHBondContact O-N 2.96Å; E316-L319 PolarHBondContact O-N 2.67Å; C317-L319 VanDerWaalsContact C-N 3.32Å; C317-L319 PolarHBondContact O-N 3.37Å; L319-I321 VanDerWaalsContact C-N 3.33Å; L319-I321 PolarHBondContact O-N 3.09Å; L319-E322 PolarHBondContact O-N 3.15Å; L319-I323 HydrophobicContact CG-CD1 4.24Å; L319-I323 WeakPolarHBondContact O-CG1 3.47Å; L319-I323 PolarHBondContact O-N 3.35Å
320L83.2Confident81.4Confident71 Ų7199.6 Ų99.637%0.37249%0.489SS..Hα-helixtrans-61.6-41.3175.7-73.9172.9000111.9E316 C317 E322 I323 I324 L427E316-L320 WeakPolarHBondContact O-CG 3.35Å; E316-L320 PolarHBondContact O-N 2.82Å; E316-L320 VanDerWaalsContact O-N 3.12Å; C317-L320 PolarHBondContact O-N 3.32Å; L320-E322 VanDerWaalsContact C-N 3.33Å; L320-I323 PolarHBondContact O-N 3.2Å; L320-I324 VanDerWaalsContact O-CG1 3.3Å; L320-I324 WeakPolarHBondContact O-CG1 3.34Å; L320-I324 PolarHBondContact O-N 3.36Å; L320-L427 HydrophobicContact CD1-CD1 4.33Å
321I84.6Confident82.1Confident82 Ų8296.1 Ų96.142%0.42147%0.474SS..Hα-helixtrans-61-45.1175.3-69.9166.4000110.1C317 D318 L319 I324 Q325C317-I321 WeakPolarHBondContact O-CG1 3.4Å; C317-I321 PolarHBondContact O-N 3.34Å; D318-I321 WeakPolarHBondContact O-CB 3.41Å; D318-I321 PolarHBondContact O-N 3.24Å; L319-I321 VanDerWaalsContact C-N 3.33Å; L319-I321 PolarHBondContact O-N 3.09Å; I321-I324 PolarHBondContact O-N 2.93Å; I321-Q325 HydrophobicContact CG2-CG 4.29Å; I321-Q325 VanDerWaalsContact CG2-NE2 3.29Å; I321-Q325 WeakPolarHBondContact O-CB 3.45Å; I321-Q325 VanDerWaalsContact O-CG 3.27Å; I321-Q325 WeakPolarHBondContact O-CG 3.47Å; I321-Q325 PolarHBondContact O-N 2.99Å
322E86.9Confident82.7Confident102 Ų10294.5 Ų94.548%0.47746%0.463SS..Hα-helixtrans-60.9-46.9179-164.9-175.9168.400111.4D318 L319 L320 I324 Q325 Q326D318-E322 PolarHBondContact O-N 3.47Å; L319-E322 PolarHBondContact O-N 3.15Å; L320-E322 VanDerWaalsContact C-N 3.33Å; E322-I324 VanDerWaalsContact C-N 3.34Å; E322-I324 PolarHBondContact O-N 3.01Å; E322-Q325 PolarHBondContact O-N 3.28Å; E322-Q325 VanDerWaalsContact O-N 3.17Å; E322-Q326 HydrophobicContact CG-CG 4.41Å; E322-Q326 WeakPolarHBondContact O-CB 3.42Å; E322-Q326 VanDerWaalsContact O-CG 3.31Å; E322-Q326 WeakPolarHBondContact O-CG 3.36Å; E322-Q326 PolarHBondContact O-N 2.96Å; E322-Q326 PolarHBondContact OE1-NE2 2.91Å
323I85.2Confident83.4Confident80 Ų8092.6 Ų92.641%0.4146%0.46SS..Hα-helixtrans-58.3-46.1177-68166.6000110.9L319 L320 Q325 Q326 R327L319-I323 HydrophobicContact CG-CD1 4.24Å; L319-I323 WeakPolarHBondContact O-CG1 3.47Å; L319-I323 PolarHBondContact O-N 3.35Å; L320-I323 PolarHBondContact O-N 3.2Å; I323-Q325 VanDerWaalsContact C-N 3.34Å; I323-Q325 PolarHBondContact O-N 2.98Å; I323-Q326 PolarHBondContact O-N 3.3Å; I323-R327 HydrophobicContact CG2-CG 4.45Å; I323-R327 WeakPolarHBondContact O-CB 3.26Å; I323-R327 VanDerWaalsContact O-CG 3.3Å; I323-R327 WeakPolarHBondContact O-CG 3.32Å; I323-R327 PolarHBondContact O-N 2.98Å
324I85.6Confident83.8Confident93 Ų9393.2 Ų93.248%0.47746%0.458SS..Hα-helixtrans-62.5-42.9178.1-69.2168.8000110.6L320 I321 E322 R327 R328 L424L320-I324 VanDerWaalsContact O-CG1 3.3Å; L320-I324 WeakPolarHBondContact O-CG1 3.34Å; L320-I324 PolarHBondContact O-N 3.36Å; I321-I324 PolarHBondContact O-N 2.93Å; E322-I324 VanDerWaalsContact C-N 3.34Å; E322-I324 PolarHBondContact O-N 3.01Å; I324-R327 PolarHBondContact O-N 2.91Å; I324-R328 WeakPolarHBondContact O-CB 3.47Å; I324-R328 PolarHBondContact O-N 3.45Å; I324-L424 HydrophobicContact CD1-CD1 4.24Å
325Q86.2Confident84Confident96 Ų9692.2 Ų92.245%0.44945%0.449SS..Hα-helixtrans-64.3-44.3177.8-72.8-179.515.500112I321 E322 I323 R328 Q329I321-Q325 HydrophobicContact CG2-CG 4.29Å; I321-Q325 VanDerWaalsContact CG2-NE2 3.29Å; I321-Q325 WeakPolarHBondContact O-CB 3.45Å; I321-Q325 VanDerWaalsContact O-CG 3.27Å; I321-Q325 WeakPolarHBondContact O-CG 3.47Å; I321-Q325 PolarHBondContact O-N 2.99Å; E322-Q325 PolarHBondContact O-N 3.28Å; E322-Q325 VanDerWaalsContact O-N 3.17Å; I323-Q325 VanDerWaalsContact C-N 3.34Å; I323-Q325 PolarHBondContact O-N 2.98Å; Q325-R328 WeakPolarHBondContact O-CB 3.32Å; Q325-R328 PolarHBondContact O-N 3.42Å; Q325-Q329 WeakPolarHBondContact O-CG 3.42Å; Q325-Q329 PolarHBondContact O-N 3.23Å; Q325-Q329 VanDerWaalsContact O-N 3.1Å
326Q88.8Confident84.2Confident101 Ų10192.9 Ų92.947%0.47245%0.45SS..Hα-helixtrans-60.4-47.8175.6-71.7177.55.300110.9E322 I323 R328 Q329 I330E322-Q326 HydrophobicContact CG-CG 4.41Å; E322-Q326 WeakPolarHBondContact O-CB 3.42Å; E322-Q326 VanDerWaalsContact O-CG 3.31Å; E322-Q326 WeakPolarHBondContact O-CG 3.36Å; E322-Q326 PolarHBondContact O-N 2.96Å; E322-Q326 PolarHBondContact OE1-NE2 2.91Å; I323-Q326 PolarHBondContact O-N 3.3Å; Q326-R328 VanDerWaalsContact C-N 3.33Å; Q326-R328 PolarHBondContact O-N 3.34Å; Q326-Q329 PolarHBondContact O-N 3.17Å; Q326-Q329 VanDerWaalsContact O-N 3.12Å; Q326-I330 WeakPolarHBondContact O-CG1 3.2Å; Q326-I330 PolarHBondContact O-N 2.85Å
327R88.1Confident84.4Confident159 Ų15992.1 Ų92.160%0.645%0.446SS*.Hα-helixtrans-60-41.1176.5-72.8-61.6-129.7177.94.3112.3I323 I324 Q329 I330 I331I323-R327 HydrophobicContact CG2-CG 4.45Å; I323-R327 WeakPolarHBondContact O-CB 3.26Å; I323-R327 VanDerWaalsContact O-CG 3.3Å; I323-R327 WeakPolarHBondContact O-CG 3.32Å; I323-R327 PolarHBondContact O-N 2.98Å; I324-R327 PolarHBondContact O-N 2.91Å; R327-Q329 VanDerWaalsContact C-N 3.32Å; R327-Q329 PolarHBondContact O-N 2.92Å; R327-I330 PolarHBondContact O-N 3.08Å; R327-I331 WeakPolarHBondContact O-CB 3.43Å; R327-I331 VanDerWaalsContact O-CG1 3.32Å; R327-I331 WeakPolarHBondContact O-CG1 3.28Å; R327-I331 PolarHBondContact O-N 3.02Å
328R87.6Confident84.5Confident153 Ų15390.7 Ų90.758%0.57744%0.441SS*.Hα-helixtrans-57.2-43.8173.9-178-174.971.4-174.3-0.1111.7I324 Q325 Q326 G332I324-R328 WeakPolarHBondContact O-CB 3.47Å; I324-R328 PolarHBondContact O-N 3.45Å; Q325-R328 WeakPolarHBondContact O-CB 3.32Å; Q325-R328 PolarHBondContact O-N 3.42Å; Q326-R328 VanDerWaalsContact C-N 3.33Å; Q326-R328 PolarHBondContact O-N 3.34Å; R328-G332 PolarHBondContact O-N 2.62Å
329Q85.6Confident84.3Confident108 Ų10888.4 Ų88.451%0.50543%0.426SS..Hα-helixtrans-66.4-42.8178.3-61.9-54.7-19.700112.1Q325 Q326 R327 G332 T333Q325-Q329 WeakPolarHBondContact O-CG 3.42Å; Q325-Q329 PolarHBondContact O-N 3.23Å; Q325-Q329 VanDerWaalsContact O-N 3.1Å; Q326-Q329 PolarHBondContact O-N 3.17Å; Q326-Q329 VanDerWaalsContact O-N 3.12Å; R327-Q329 VanDerWaalsContact C-N 3.32Å; R327-Q329 PolarHBondContact O-N 2.92Å; Q329-G332 PolarHBondContact O-N 3.46Å; Q329-T333 WeakPolarHBondContact O-CB 3.47Å; Q329-T333 WeakPolarHBondContact O-CG2 3.49Å; Q329-T333 PolarHBondContact O-N 3.16Å; Q329-T333 PolarHBondContact O-OG1 2.62Å
330I85.3Confident84.2Confident88 Ų8888.9 Ų88.945%0.45143%0.433SS..Hα-helixtrans-62.6-47.3178.3-64.9166.6000111Q326 R327 T333 K334Q326-I330 WeakPolarHBondContact O-CG1 3.2Å; Q326-I330 PolarHBondContact O-N 2.85Å; R327-I330 PolarHBondContact O-N 3.08Å; I330-T333 WeakPolarHBondContact CA-OG1 3.24Å; I330-T333 PolarHBondContact O-N 3.44Å; I330-T333 PolarHBondContact O-OG1 3.44Å; I330-K334 WeakPolarHBondContact O-CG 3.44Å; I330-K334 PolarHBondContact O-N 3.01Å; I330-K334 VanDerWaalsContact O-N 3.08Å
331I84.9Confident84.1Confident51 Ų5191 Ų9126%0.26244%0.442SS..Hα-helixtrans-66.2-43.5178.8-65.7169.7000110.1R327 T333 K334 I335 F413 L415R327-I331 WeakPolarHBondContact O-CB 3.43Å; R327-I331 VanDerWaalsContact O-CG1 3.32Å; R327-I331 WeakPolarHBondContact O-CG1 3.28Å; R327-I331 PolarHBondContact O-N 3.02Å; I331-T333 PolarHBondContact O-N 2.89Å; I331-K334 PolarHBondContact O-N 2.64Å; I331-I335 HydrophobicContact CG2-CD1 4.04Å; I331-I335 WeakPolarHBondContact O-CG1 3.47Å; I331-I335 PolarHBondContact O-N 3.28Å; I331-F413 HydrophobicContact CG2-CZ 4.05Å; I331-L415 HydrophobicContact CG2-CD2 3.93Å
332G83.9Confident83.8Confident24 Ų2489.9 Ų89.925%0.24743%0.433CS..Hα-helixtrans-62.2-38.7178.100000113.5R328 Q329 K336R328-G332 PolarHBondContact O-N 2.62Å; Q329-G332 PolarHBondContact O-N 3.46Å; G332-K336 WeakPolarHBondContact O-CG 3.5Å; G332-K336 PolarHBondContact O-N 2.99Å; G332-K336 VanDerWaalsContact O-N 3.16Å
333T83.8Confident83.6Confident62 Ų6286.8 Ų86.838%0.3842%0.419SS..Hα-helixtrans-66.8-43.3174.346.50000111.4Q329 I330 I331 I335 K336 E337Q329-T333 WeakPolarHBondContact O-CB 3.47Å; Q329-T333 WeakPolarHBondContact O-CG2 3.49Å; Q329-T333 PolarHBondContact O-N 3.16Å; Q329-T333 PolarHBondContact O-OG1 2.62Å; I330-T333 WeakPolarHBondContact CA-OG1 3.24Å; I330-T333 PolarHBondContact O-N 3.44Å; I330-T333 PolarHBondContact O-OG1 3.44Å; I331-T333 PolarHBondContact O-N 2.89Å; T333-I335 PolarHBondContact O-N 3.27Å; T333-K336 WeakPolarHBondContact O-CB 3.27Å; T333-K336 PolarHBondContact O-N 3.24Å; T333-K336 VanDerWaalsContact O-N 3.13Å; T333-E337 WeakPolarHBondContact O-CG 3.46Å; T333-E337 PolarHBondContact O-N 2.6Å
334K81.8Confident83.5Confident125 Ų12592.6 Ų92.654%0.54344%0.436SS..Hα-helixtrans-59.6-40.9175.8-73.4-74.7162.5-146.70113.5I330 I331 E337 G338I330-K334 WeakPolarHBondContact O-CG 3.44Å; I330-K334 PolarHBondContact O-N 3.01Å; I330-K334 VanDerWaalsContact O-N 3.08Å; I331-K334 PolarHBondContact O-N 2.64Å; K334-E337 IonicContact NZ-OE2 3.24Å; K334-E337 PolarHBondContact NZ-OE2 3Å; K334-E337 PolarHBondContact O-N 3.3Å; K334-G338 PolarHBondContact O-N 3.01Å
335I81.1Confident83.4Confident56 Ų5694.4 Ų94.429%0.28744%0.441SS..Hα-helixtrans-63.3-43.8175-65.4165.4000110.7I331 T333 G338 K339 F410 F413I331-I335 HydrophobicContact CG2-CD1 4.04Å; I331-I335 WeakPolarHBondContact O-CG1 3.47Å; I331-I335 PolarHBondContact O-N 3.28Å; T333-I335 PolarHBondContact O-N 3.27Å; I335-G338 PolarHBondContact O-N 3.27Å; I335-K339 PolarHBondContact O-N 3Å; I335-F410 HydrophobicContact CG2-CE1 4.36Å; I335-F413 HydrophobicContact CD1-CD1 4.34Å; I335-F413 HydrophobicContact CD1-CE1 3.47Å; I335-F413 VanDerWaalsContact CD1-CE1 3.47Å; I335-F413 HydrophobicContact CD1-CZ 3.84Å; I335-F413 HydrophobicContact CG1-CD1 4.22Å; I335-F413 HydrophobicContact CG1-CE1 3.56Å; I335-F413 HydrophobicContact CG1-CE2 4.29Å; I335-F413 HydrophobicContact CG1-CZ 3.6Å
336K81.9Confident83.1Confident146 Ų14691 Ų9164%0.63543%0.425SS*.Hα-helixtrans-62.7-45.8176.8-71.9173.5-178-179.80111.7G332 T333 G338 K339 V340G332-K336 WeakPolarHBondContact O-CG 3.5Å; G332-K336 PolarHBondContact O-N 2.99Å; G332-K336 VanDerWaalsContact O-N 3.16Å; T333-K336 WeakPolarHBondContact O-CB 3.27Å; T333-K336 PolarHBondContact O-N 3.24Å; T333-K336 VanDerWaalsContact O-N 3.13Å; K336-G338 PolarHBondContact O-N 3.27Å; K336-K339 PolarHBondContact O-N 3.49Å; K336-V340 WeakPolarHBondContact O-CG2 3.27Å; K336-V340 PolarHBondContact O-N 2.91Å
337E82Confident82.9Confident102 Ų10288.8 Ų88.848%0.47742%0.424SS..Hα-helixtrans-57.5-46.8175.1-73.4173.4178.400111.4T333 K334 K339 V340 M341T333-E337 WeakPolarHBondContact O-CG 3.46Å; T333-E337 PolarHBondContact O-N 2.6Å; K334-E337 IonicContact NZ-OE2 3.24Å; K334-E337 PolarHBondContact NZ-OE2 3Å; K334-E337 PolarHBondContact O-N 3.3Å; E337-K339 PolarHBondContact O-N 3.45Å; E337-V340 PolarHBondContact O-N 3.39Å; E337-M341 PolarHBondContact O-N 3.27Å
338G80.5Confident82.8Confident26 Ų2686.4 Ų86.427%0.26842%0.42SS..Hα-helixtrans-59.9-43.7176.400000112.7K334 I335 K336 M341 R342K334-G338 PolarHBondContact O-N 3.01Å; I335-G338 PolarHBondContact O-N 3.27Å; K336-G338 PolarHBondContact O-N 3.27Å; G338-M341 PolarHBondContact O-N 3.44Å; G338-R342 WeakPolarHBondContact O-CG 3.28Å; G338-R342 PolarHBondContact O-N 2.87Å
339K80Confident82.5Confident45 Ų4582 Ų8220%0.19641%0.405CS..Hα-helixtrans-60.3-46.8174178.2175.3178.2165.80111.9V251 I335 K336 E337 R342 L343 F410V251-K339 HydrophobicContact CG1-CD 4.4Å; V251-K339 HydrophobicContact CG1-CG 4.02Å; V251-K339 WeakPolarHBondContact O-CE 3.29Å; V251-K339 PolarHBondContact O-NZ 3.46Å; I335-K339 PolarHBondContact O-N 3Å; K336-K339 PolarHBondContact O-N 3.49Å; E337-K339 PolarHBondContact O-N 3.45Å; K339-R342 PolarHBondContact O-N 3.34Å; K339-L343 HydrophobicContact CG-CD1 4.1Å; K339-L343 WeakPolarHBondContact O-CG 3.4Å; K339-L343 PolarHBondContact O-N 2.9Å; K339-F410 HydrophobicContact CB-CE2 4.44Å; K339-F410 HydrophobicContact CB-CZ 4.36Å
340V82.2Confident82.5Confident96 Ų9677.9 Ų77.958%0.58239%0.387SS*.Hα-helixtrans-62.4-44.1179170.60000111.1K336 E337 R342 L343 R344K336-V340 WeakPolarHBondContact O-CG2 3.27Å; K336-V340 PolarHBondContact O-N 2.91Å; E337-V340 PolarHBondContact O-N 3.39Å; V340-R342 VanDerWaalsContact C-N 3.35Å; V340-R342 PolarHBondContact O-N 2.78Å; V340-L343 PolarHBondContact O-N 3.02Å; V340-R344 WeakPolarHBondContact O-CB 3.49Å; V340-R344 PolarHBondContact O-N 2.72Å
341M80.9Confident82.5Confident117 Ų11775.9 Ų75.958%0.57638%0.384SS*.Hα-helixtrans-61.2-43.1177.7-169.4-160.7-74.300111.6E337 G338 R344 K345E337-M341 PolarHBondContact O-N 3.27Å; G338-M341 PolarHBondContact O-N 3.44Å; M341-R344 PolarHBondContact O-N 3.47Å; M341-K345 WeakPolarHBondContact O-CG 3.34Å; M341-K345 PolarHBondContact O-N 3.05Å
342R78.4Confident82.4Confident57 Ų5776.4 Ų76.422%0.21539%0.387CS..Hα-helixtrans-64-46.5176.7-74.7176.2174.8-169.6-10.1112.2G338 K339 V340 R344 K345 L346 D408 T409G338-R342 WeakPolarHBondContact O-CG 3.28Å; G338-R342 PolarHBondContact O-N 2.87Å; K339-R342 PolarHBondContact O-N 3.34Å; V340-R342 VanDerWaalsContact C-N 3.35Å; V340-R342 PolarHBondContact O-N 2.78Å; R342-R344 VanDerWaalsContact C-N 3.27Å; R342-R344 PolarHBondContact O-N 3.19Å; R342-K345 PolarHBondContact O-N 3.37Å; R342-K345 VanDerWaalsContact O-N 3.15Å; R342-L346 PolarHBondContact O-N 3.08Å; R342-D408 IonicContact NH2-OD1 3.9Å; R342-T409 PolarHBondContact NH2-O 3.45Å
343L82.2Confident82.4Confident38 Ų3875.3 Ų75.320%0.19938%0.375CS..Hα-helixtrans-58.8-39.7175-75.2172.6000111.6V251 E252 K339 V340 L346 A347V251-L343 HydrophobicContact CB-CD2 4.09Å; V251-L343 HydrophobicContact CG1-CD1 4.33Å; V251-L343 HydrophobicContact CG1-CD2 3.72Å; V251-L343 HydrophobicContact CG1-CG 3.96Å; E252-L343 HydrophobicContact CG-CD2 4.42Å; K339-L343 HydrophobicContact CG-CD1 4.1Å; K339-L343 WeakPolarHBondContact O-CG 3.4Å; K339-L343 PolarHBondContact O-N 2.9Å; V340-L343 PolarHBondContact O-N 3.02Å; L343-L346 PolarHBondContact O-N 3.24Å; L343-A347 VanDerWaalsContact O-CB 3.28Å; L343-A347 WeakPolarHBondContact O-CB 3.43Å; L343-A347 PolarHBondContact O-N 3.26Å
344R83.6Confident82.5Confident202 Ų20276.9 Ų76.976%0.76238%0.377SS*.Hα-helixtrans-63-42.8175.2-171.9176.7-176.9157.21.3112.2V340 M341 R342 A347 Q348V340-R344 WeakPolarHBondContact O-CB 3.49Å; V340-R344 PolarHBondContact O-N 2.72Å; M341-R344 PolarHBondContact O-N 3.47Å; R342-R344 VanDerWaalsContact C-N 3.27Å; R342-R344 PolarHBondContact O-N 3.19Å; R344-A347 PolarHBondContact O-N 3.23Å; R344-Q348 PolarHBondContact O-N 3.07Å
345K81.8Confident82.5Confident131 Ų13175.2 Ų75.257%0.5737%0.371SS*.Hα-helixtrans-62.3-46.7175.8-72.1179.6180-176.90111.6M341 R342 Q348 Q349M341-K345 WeakPolarHBondContact O-CG 3.34Å; M341-K345 PolarHBondContact O-N 3.05Å; R342-K345 PolarHBondContact O-N 3.37Å; R342-K345 VanDerWaalsContact O-N 3.15Å; K345-Q348 PolarHBondContact O-N 2.71Å; K345-Q349 WeakPolarHBondContact O-CG 3.49Å; K345-Q349 PolarHBondContact O-N 2.77Å
346L81.2Confident82.6Confident25 Ų2573.3 Ų73.313%0.13136%0.363CS..Hα-helixtrans-62.4-44176.9-71.8166.8000111.7L244 T247 C248 R342 L343 Q348 Q349 I350L244-L346 HydrophobicContact CD2-CD2 3.75Å; T247-L346 HydrophobicContact CG2-CD1 4.39Å; C248-L346 VanDerWaalsContact SG-CB 3.5Å; R342-L346 PolarHBondContact O-N 3.08Å; L343-L346 PolarHBondContact O-N 3.24Å; L346-Q348 VanDerWaalsContact C-N 3.31Å; L346-Q348 PolarHBondContact O-N 3.15Å; L346-Q349 PolarHBondContact O-N 2.96Å; L346-I350 VanDerWaalsContact O-CG1 3.32Å; L346-I350 WeakPolarHBondContact O-CG1 3.47Å; L346-I350 PolarHBondContact O-N 3.44Å
347A85Confident82.7Confident53 Ų5367.4 Ų67.444%0.43834%0.338SS..Hα-helixtrans-60.1-41176.800000112.1L343 R344 I350 A351L343-A347 VanDerWaalsContact O-CB 3.28Å; L343-A347 WeakPolarHBondContact O-CB 3.43Å; L343-A347 PolarHBondContact O-N 3.26Å; R344-A347 PolarHBondContact O-N 3.23Å; A347-I350 PolarHBondContact O-N 3.3Å; A347-A351 WeakPolarHBondContact O-CB 3.47Å; A347-A351 PolarHBondContact O-N 3.42Å
348Q84.2Confident82.7Confident109 Ų10969.1 Ų69.151%0.50935%0.346SS..Hα-helixtrans-63.7-43.1175.4-172.462.652.800111.9R344 K345 L346 A351 N352R344-Q348 PolarHBondContact O-N 3.07Å; K345-Q348 PolarHBondContact O-N 2.71Å; L346-Q348 VanDerWaalsContact C-N 3.31Å; L346-Q348 PolarHBondContact O-N 3.15Å; Q348-A351 PolarHBondContact O-N 2.78Å; Q348-N352 PolarHBondContact NE2-OD1 2.97Å; Q348-N352 PolarHBondContact O-N 3.37Å; Q348-N352 PolarHBondContact O-OD1 3.14Å
349Q81.6Confident82.5Confident60 Ų6075.2 Ų75.228%0.2836%0.361SS..Hα-helixtrans-62.7-43.7176.7-72.5177.6-24.100111.7L244 K345 L346 A351 N352 C353L244-Q349 HydrophobicContact CD1-CB 4.16Å; K345-Q349 WeakPolarHBondContact O-CG 3.49Å; K345-Q349 PolarHBondContact O-N 2.77Å; L346-Q349 PolarHBondContact O-N 2.96Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; Q349-A351 PolarHBondContact O-N 3.39Å; Q349-N352 PolarHBondContact O-N 3.31Å; Q349-C353 PolarHBondContact O-N 3.2Å; Q349-C353 PolarHBondContact O-SG 2.77Å; Q349-C353 VanDerWaalsContact O-SG 3.37Å
350I85.7Confident82.6Confident22 Ų2273.3 Ų73.311%0.11335%0.353CS..Hα-helixtrans-57.3-46.6174.4-73.3171.3000110.7L241 L244 I245 L346 A347 C353 K354L241-I350 HydrophobicContact CD1-CB 4.21Å; L241-I350 HydrophobicContact CD1-CG1 4.24Å; L241-I350 HydrophobicContact CD1-CG2 3.76Å; L244-I350 HydrophobicContact CB-CD1 4.13Å; L244-I350 HydrophobicContact CB-CG1 3.72Å; L244-I350 HydrophobicContact CD1-CG1 4.04Å; L244-I350 HydrophobicContact CG-CG1 4.49Å; I245-I350 HydrophobicContact CG1-CD1 4.12Å; L346-I350 VanDerWaalsContact O-CG1 3.32Å; L346-I350 WeakPolarHBondContact O-CG1 3.47Å; L346-I350 PolarHBondContact O-N 3.44Å; A347-I350 PolarHBondContact O-N 3.3Å; I350-C353 PolarHBondContact O-N 3.36Å; I350-K354 HydrophobicContact CG2-CD 4.24Å; I350-K354 WeakPolarHBondContact O-CG 3.44Å; I350-K354 PolarHBondContact O-N 3.46Å
351A85.9Confident82.8Confident47 Ų4771.2 Ų71.239%0.38835%0.346SS..Hα-helixtrans-61.9-44178.900000111.9A347 Q348 Q349 K354 Q355A347-A351 WeakPolarHBondContact O-CB 3.47Å; A347-A351 PolarHBondContact O-N 3.42Å; Q348-A351 PolarHBondContact O-N 2.78Å; Q349-A351 VanDerWaalsContact C-N 3.33Å; Q349-A351 PolarHBondContact O-N 3.39Å; A351-K354 PolarHBondContact O-N 2.99Å; A351-Q355 WeakPolarHBondContact O-CB 3.43Å; A351-Q355 PolarHBondContact O-N 3.47Å
352N83.1Confident82.9Confident61 Ų6168.6 Ų68.633%0.32634%0.339SS..Hα-helixtrans-62.4-44.6178-67-1.9000111.8Q348 Q349 Q355 C356Q348-N352 PolarHBondContact NE2-OD1 2.97Å; Q348-N352 PolarHBondContact O-N 3.37Å; Q348-N352 PolarHBondContact O-OD1 3.14Å; Q349-N352 PolarHBondContact O-N 3.31Å; N352-Q355 PolarHBondContact O-N 3.48Å; N352-C356 WeakPolarHBondContact O-CB 3.28Å; N352-C356 PolarHBondContact O-N 2.87Å
353C83.9Confident83.1Confident1 Ų166.4 Ų66.41%0.00733%0.331CS..Hα-helixtrans-61.2-48.4176.5-69.90000111.6L241 Q349 I350 Q355 C356 I357L241-C353 HydrophobicContact CD1-CB 4.29Å; Q349-C353 PolarHBondContact O-N 3.2Å; Q349-C353 PolarHBondContact O-SG 2.77Å; Q349-C353 VanDerWaalsContact O-SG 3.37Å; I350-C353 PolarHBondContact O-N 3.36Å; C353-Q355 PolarHBondContact O-N 3.4Å; C353-C356 PolarHBondContact O-N 3.01Å; C353-I357 WeakPolarHBondContact O-CG1 3.39Å; C353-I357 PolarHBondContact O-N 2.92Å
354K86.2Confident83.4Confident96 Ų9665.6 Ų65.642%0.41733%0.327SS..Hα-helixtrans-57-48.8177.7-76.1-179.4176.6-1740111.8L241 I350 A351 C356 I357 E358L241-K354 HydrophobicContact CD1-CG 4.03Å; L241-K354 HydrophobicContact CD2-CG 3.78Å; I350-K354 HydrophobicContact CG2-CD 4.24Å; I350-K354 WeakPolarHBondContact O-CG 3.44Å; I350-K354 PolarHBondContact O-N 3.46Å; A351-K354 PolarHBondContact O-N 2.99Å; K354-C356 VanDerWaalsContact C-N 3.31Å; K354-C356 PolarHBondContact O-N 3.28Å; K354-I357 PolarHBondContact O-N 3.33Å; K354-E358 WeakPolarHBondContact O-CG 3.35Å; K354-E358 PolarHBondContact O-N 2.9Å
355Q81.6Confident83.6Confident89 Ų8959.4 Ų59.442%0.41632%0.315SS..Hα-helixtrans-63.2-37.3-179.8-174.1175.253.900112.4A351 N352 C353 R359A351-Q355 WeakPolarHBondContact O-CB 3.43Å; A351-Q355 PolarHBondContact O-N 3.47Å; N352-Q355 PolarHBondContact O-N 3.48Å; C353-Q355 PolarHBondContact O-N 3.4Å; Q355-R359 VanDerWaalsContact CD-CZ 3.48Å; Q355-R359 WeakPolarHBondContact O-CB 3.49Å; Q355-R359 VanDerWaalsContact O-CG 3.27Å; Q355-R359 WeakPolarHBondContact O-CG 3.42Å; Q355-R359 PolarHBondContact O-N 3.46Å; Q355-R359 VanDerWaalsContact O-N 3.08Å
356C82.1Confident83.6Confident16 Ų1657 Ų5711%0.10831%0.305CS..Hα-helixtrans-63.8-44.3175.8-170.80000111.7L237 N352 C353 K354 S360L237-C356 HydrophobicContact CD1-CB 4.3Å; N352-C356 WeakPolarHBondContact O-CB 3.28Å; N352-C356 PolarHBondContact O-N 2.87Å; C353-C356 PolarHBondContact O-N 3.01Å; K354-C356 VanDerWaalsContact C-N 3.31Å; K354-C356 PolarHBondContact O-N 3.28Å; C356-S360 WeakPolarHBondContact O-CB 3.26Å; C356-S360 PolarHBondContact O-N 3Å; C356-S360 PolarHBondContact O-OG 3Å
357I85Confident83.8Confident22 Ų2255.8 Ų55.811%0.11330%0.299CS..Hα-helixtrans-64.8-46177.4-65.4161.5000110.6L237 E238 L241 C353 K354 R359 S360 A361L237-I357 HydrophobicContact CB-CD1 3.96Å; L237-I357 HydrophobicContact CB-CG1 3.99Å; L237-I357 HydrophobicContact CD1-CG1 4.42Å; E238-I357 HydrophobicContact CG-CD1 3.81Å; E238-I357 HydrophobicContact CG-CG1 4.49Å; E238-I357 HydrophobicContact CG-CG2 4.48Å; L241-I357 HydrophobicContact CD2-CD1 4.25Å; C353-I357 WeakPolarHBondContact O-CG1 3.39Å; C353-I357 PolarHBondContact O-N 2.92Å; K354-I357 PolarHBondContact O-N 3.33Å; I357-R359 PolarHBondContact O-N 3.11Å; I357-S360 WeakPolarHBondContact CA-OG 3.47Å; I357-S360 PolarHBondContact O-N 3.47Å; I357-S360 PolarHBondContact O-OG 2.89Å; I357-A361 WeakPolarHBondContact O-CB 3.43Å; I357-A361 PolarHBondContact O-N 3.15Å
358E82.5Confident84.1Confident138 Ų13857.5 Ų57.565%0.64530%0.298SS*.Hα-helixtrans-60.9-45.5179.9-76.2172-171.400112.6K354 S360 A361K354-E358 WeakPolarHBondContact O-CG 3.35Å; K354-E358 PolarHBondContact O-N 2.9Å; E358-S360 VanDerWaalsContact C-N 3.35Å; E358-S360 PolarHBondContact O-N 3.35Å; E358-A361 PolarHBondContact O-N 2.85Å
359R76.4Confident84.2Confident155 Ų15558.9 Ų58.959%0.58530%0.304SS*.Hα-helixtrans-64.1-40.9179.5-72.7174-178175.11.5112Q355 I357 S362Q355-R359 VanDerWaalsContact CD-CZ 3.48Å; Q355-R359 WeakPolarHBondContact O-CB 3.49Å; Q355-R359 VanDerWaalsContact O-CG 3.27Å; Q355-R359 WeakPolarHBondContact O-CG 3.42Å; Q355-R359 PolarHBondContact O-N 3.46Å; Q355-R359 VanDerWaalsContact O-N 3.08Å; I357-R359 PolarHBondContact O-N 3.11Å; R359-S362 PolarHBondContact O-OG 2.9Å
360S82.2Confident84.3Confident5 Ų556.7 Ų56.74%0.03530%0.296CS..Hα-helixtrans-75.5-29.6-178.351.40000112.9N234 C356 I357 E358 S362 L363 I364N234-S360 VanDerWaalsContact CG-OG 3.31Å; N234-S360 WeakPolarHBondContact ND2-CB 3.47Å; N234-S360 PolarHBondContact ND2-OG 3.1Å; N234-S360 PolarHBondContact OD1-OG 3.38Å; C356-S360 WeakPolarHBondContact O-CB 3.26Å; C356-S360 PolarHBondContact O-N 3Å; C356-S360 PolarHBondContact O-OG 3Å; I357-S360 WeakPolarHBondContact CA-OG 3.47Å; I357-S360 PolarHBondContact O-N 3.47Å; I357-S360 PolarHBondContact O-OG 2.89Å; E358-S360 VanDerWaalsContact C-N 3.35Å; E358-S360 PolarHBondContact O-N 3.35Å; S360-S362 PolarHBondContact O-N 2.93Å; S360-L363 WeakPolarHBondContact O-CB 3.32Å; S360-L363 PolarHBondContact O-N 3.3Å; S360-L363 VanDerWaalsContact O-N 3.11Å; S360-I364 VanDerWaalsContact O-CG1 3.31Å; S360-I364 WeakPolarHBondContact O-CG1 3.3Å; S360-I364 PolarHBondContact O-N 3.33Å
361A85.7Confident84.6Confident52 Ų5256.8 Ų56.843%0.4330%0.296SS..Hα-helixtrans-56.5-46.3178.100000113I357 E358 L363 I364 S365I357-A361 WeakPolarHBondContact O-CB 3.43Å; I357-A361 PolarHBondContact O-N 3.15Å; E358-A361 PolarHBondContact O-N 2.85Å; A361-L363 VanDerWaalsContact C-N 3.31Å; A361-L363 PolarHBondContact O-N 3.05Å; A361-I364 PolarHBondContact O-N 3.15Å; A361-S365 PolarHBondContact O-N 3.21Å; A361-S365 VanDerWaalsContact O-N 3.13Å
362S82.4Confident84.7Confident62 Ų6261.8 Ų61.843%0.43431%0.309SS..Hα-helixtrans-64.4-36177.269.90000112.8R359 S360 Q366R359-S362 PolarHBondContact O-OG 2.9Å; S360-S362 PolarHBondContact O-N 2.93Å; S362-Q366 VanDerWaalsContact O-CG 3.31Å; S362-Q366 WeakPolarHBondContact O-CG 3.48Å; S362-Q366 PolarHBondContact O-N 2.8Å; S362-Q366 VanDerWaalsContact O-N 3.08Å
363L82.2Confident84.9Confident10 Ų1062 Ų625%0.05231%0.308CS..Hα-helixtrans-72.7-38.1179.1179.362.1000111.8L230 S360 A361 Q366 A367 R389 V390 A393L230-L363 HydrophobicContact CD2-CD2 4.35Å; S360-L363 WeakPolarHBondContact O-CB 3.32Å; S360-L363 PolarHBondContact O-N 3.3Å; S360-L363 VanDerWaalsContact O-N 3.11Å; A361-L363 VanDerWaalsContact C-N 3.31Å; A361-L363 PolarHBondContact O-N 3.05Å; L363-Q366 PolarHBondContact O-N 3.44Å; L363-A367 WeakPolarHBondContact O-CB 3.45Å; L363-A367 PolarHBondContact O-N 2.95Å; L363-R389 HydrophobicContact CD1-CB 3.84Å; L363-R389 HydrophobicContact CD2-CB 4.19Å; L363-R389 WeakPolarHBondContact CD2-O 3.37Å; L363-V390 HydrophobicContact CD1-CG2 4.2Å; L363-V390 HydrophobicContact CD2-CG2 4.18Å; L363-V390 HydrophobicContact CG-CG2 3.94Å; L363-A393 HydrophobicContact CD2-CB 3.67Å
364I89.3Confident84.9Confident22 Ų2268 Ų6811%0.11334%0.34CS..Hα-helixtrans-58.7-49.9173.1-72.3164.9000109.4L227 L230 I231 N234 S360 A361 Q366 A367 E368L227-I364 HydrophobicContact CD1-CB 4.12Å; L227-I364 HydrophobicContact CD1-CG1 3.94Å; L227-I364 HydrophobicContact CD1-CG2 4.02Å; L230-I364 HydrophobicContact CD2-CD1 4.41Å; L230-I364 HydrophobicContact CD2-CG1 3.84Å; L230-I364 HydrophobicContact CG-CD1 4.24Å; L230-I364 HydrophobicContact CG-CG1 4.14Å; I231-I364 HydrophobicContact CD1-CG2 4.11Å; I231-I364 HydrophobicContact CG1-CD1 3.98Å; I231-I364 HydrophobicContact CG1-CG1 4.19Å; I231-I364 HydrophobicContact CG1-CG2 3.95Å; N234-I364 WeakPolarHBondContact ND2-CD1 3.38Å; S360-I364 VanDerWaalsContact O-CG1 3.31Å; S360-I364 WeakPolarHBondContact O-CG1 3.3Å; S360-I364 PolarHBondContact O-N 3.33Å; A361-I364 PolarHBondContact O-N 3.15Å; I364-Q366 VanDerWaalsContact C-N 3.34Å; I364-Q366 PolarHBondContact O-N 3.24Å; I364-A367 PolarHBondContact O-N 3.35Å; I364-A367 VanDerWaalsContact O-N 3.14Å; I364-E368 HydrophobicContact CG2-CG 4.42Å; I364-E368 WeakPolarHBondContact O-CG 3.38Å; I364-E368 PolarHBondContact O-N 2.8Å
365S88Confident84.8Confident71 Ų7166 Ų6650%0.49733%0.334SS..Hα-helixtrans-61.4-39.8178.5-173.70000112.9A361 E368 H369A361-S365 PolarHBondContact O-N 3.21Å; A361-S365 VanDerWaalsContact O-N 3.13Å; S365-E368 PolarHBondContact O-N 3.05Å; S365-H369 PolarHBondContact O-N 2.88Å
366Q80.7Confident84.9Confident81 Ų8164.9 Ų64.938%0.37933%0.329SS..Hα-helixtrans-62.7-41.7174.2-74.817130.200112.3S362 L363 I364 S370S362-Q366 VanDerWaalsContact O-CG 3.31Å; S362-Q366 WeakPolarHBondContact O-CG 3.48Å; S362-Q366 PolarHBondContact O-N 2.8Å; S362-Q366 VanDerWaalsContact O-N 3.08Å; L363-Q366 PolarHBondContact O-N 3.44Å; I364-Q366 VanDerWaalsContact C-N 3.34Å; I364-Q366 PolarHBondContact O-N 3.24Å; Q366-S370 WeakPolarHBondContact O-CB 3.35Å; Q366-S370 PolarHBondContact O-N 3.48Å; Q366-S370 PolarHBondContact O-OG 3.37Å
367A87.1Confident84.8Confident0 Ų064.5 Ų64.50%033%0.327CS..Hα-helixtrans-67.1-44.7177.400000111.8L223 L227 L363 I364 H369 S370 L371 I386 V390L223-A367 HydrophobicContact CD1-CB 4.19Å; L227-A367 HydrophobicContact CD1-CB 3.76Å; L227-A367 HydrophobicContact CD2-CB 3.92Å; L227-A367 HydrophobicContact CG-CB 4.35Å; L363-A367 WeakPolarHBondContact O-CB 3.45Å; L363-A367 PolarHBondContact O-N 2.95Å; I364-A367 PolarHBondContact O-N 3.35Å; I364-A367 VanDerWaalsContact O-N 3.14Å; A367-H369 VanDerWaalsContact C-N 3.32Å; A367-H369 PolarHBondContact O-N 3.3Å; A367-S370 PolarHBondContact O-N 3.38Å; A367-S370 VanDerWaalsContact O-N 3.16Å; A367-L371 WeakPolarHBondContact O-CG 3.33Å; A367-L371 PolarHBondContact O-N 3.39Å; A367-I386 HydrophobicContact CB-CG2 3.81Å; A367-V390 HydrophobicContact CB-CG2 4.06Å
368E90.6Very high84.6Confident89 Ų8968.6 Ų68.642%0.41634%0.341SS..Hα-helixtrans-59-41.5175-72179.2153.900112.5L227 I364 S365 L371L227-E368 HydrophobicContact CD2-CG 3.89Å; I364-E368 HydrophobicContact CG2-CG 4.42Å; I364-E368 WeakPolarHBondContact O-CG 3.38Å; I364-E368 PolarHBondContact O-N 2.8Å; S365-E368 PolarHBondContact O-N 3.05Å; E368-L371 PolarHBondContact O-N 2.84Å
369H86.3Confident84.7Confident138 Ų13862 Ų6264%0.63931%0.31SS*.Hα-helixtrans-64.2-43.8175.4-177-81.2000111.3S365 A367 L371 K372S365-H369 PolarHBondContact O-N 2.88Å; A367-H369 VanDerWaalsContact C-N 3.32Å; A367-H369 PolarHBondContact O-N 3.3Å; H369-L371 VanDerWaalsContact C-N 3.29Å; H369-L371 PolarHBondContact O-N 2.92Å; H369-K372 WeakPolarHBondContact O-CB 3.42Å; H369-K372 PolarHBondContact O-N 3.34Å; H369-K372 VanDerWaalsContact O-N 3.08Å
370S84Confident85.1Confident14 Ų1455.3 Ų55.310%0.09829%0.286CS..Hα-helixtrans-64.5-34.4-179.8-55.90000112.2Q366 A367 K372 E373 F379 I386Q366-S370 WeakPolarHBondContact O-CB 3.35Å; Q366-S370 PolarHBondContact O-N 3.48Å; Q366-S370 PolarHBondContact O-OG 3.37Å; A367-S370 PolarHBondContact O-N 3.38Å; A367-S370 VanDerWaalsContact O-N 3.16Å; S370-K372 PolarHBondContact O-N 2.88Å; S370-E373 VanDerWaalsContact O-CB 3.31Å; S370-E373 WeakPolarHBondContact O-CB 3.26Å; S370-E373 PolarHBondContact O-N 3.11Å; S370-E373 VanDerWaalsContact O-N 3.1Å; S370-F379 VanDerWaalsContact O-CD2 3.29Å; S370-F379 WeakPolarHBondContact O-CD2 3.46Å; S370-I386 WeakPolarHBondContact OG-CD1 3.42Å
371L91.3Very high84.8Confident23 Ų2360.9 Ų60.912%0.1231%0.311CS..Hα-helixtrans-65.8-17.6174.9-72.1171.8000114.1K220 L223 E224 L227 A367 E368 H369 E373 F379K220-L371 VanDerWaalsContact CE-O 3.3Å; K220-L371 WeakPolarHBondContact CE-O 3.45Å; K220-L371 HydrophobicContact CG-CD2 3.75Å; K220-L371 PolarHBondContact NZ-O 3.46Å; L223-L371 HydrophobicContact CB-CD2 4.06Å; L223-L371 HydrophobicContact CD2-CD2 3.76Å; L223-L371 HydrophobicContact CD2-CG 3.96Å; L223-L371 HydrophobicContact CG-CD1 4.47Å; L223-L371 HydrophobicContact CG-CD2 3.88Å; L223-L371 HydrophobicContact CG-CG 4.16Å; E224-L371 HydrophobicContact CG-CD1 3.77Å; E224-L371 HydrophobicContact CG-CD2 3.63Å; E224-L371 HydrophobicContact CG-CG 4.33Å; L227-L371 HydrophobicContact CD2-CD1 3.61Å; A367-L371 WeakPolarHBondContact O-CG 3.33Å; A367-L371 PolarHBondContact O-N 3.39Å; E368-L371 PolarHBondContact O-N 2.84Å; H369-L371 VanDerWaalsContact C-N 3.29Å; H369-L371 PolarHBondContact O-N 2.92Å; L371-E373 VanDerWaalsContact C-N 3.35Å; L371-F379 HydrophobicContact CD2-CE2 4.47Å
372K88.9Confident84.3Confident153 Ų15361.6 Ų61.667%0.66531%0.31SS*.THydrogen-bonded Turntrans-85.8-5.3174.5-63.3172.4-174.71750113.2H369 S370 N374H369-K372 WeakPolarHBondContact O-CB 3.42Å; H369-K372 PolarHBondContact O-N 3.34Å; H369-K372 VanDerWaalsContact O-N 3.08Å; S370-K372 PolarHBondContact O-N 2.88Å; K372-N374 PolarHBondContact O-N 3.48Å
373E86.1Confident84.2Confident64 Ų6458.7 Ų58.730%0.29929%0.29SS..  trans-70.3126176-175.354.5-99.300110.3Y216 S370 L371 D375 R378 F379Y216-E373 PolarHBondContact OH-O 3.42Å; S370-E373 VanDerWaalsContact O-CB 3.31Å; S370-E373 WeakPolarHBondContact O-CB 3.26Å; S370-E373 PolarHBondContact O-N 3.11Å; S370-E373 VanDerWaalsContact O-N 3.1Å; L371-E373 VanDerWaalsContact C-N 3.35Å; E373-D375 WeakPolarHBondContact OE1-CB 3.49Å; E373-D375 PolarHBondContact OE1-N 3.38Å; E373-R378 HydrophobicContact CG-CB 4.16Å; E373-F379 HydrophobicContact CB-CB 4.24Å; E373-F379 HydrophobicContact CB-CD2 4.3Å; E373-F379 HydrophobicContact CG-CB 3.99Å
374N83.8Confident83.9Confident129 Ų12962.5 Ų62.569%0.6931%0.306SS*.  trans-101.4-19.2-177-64.4-47.3000111.6K372 H376K372-N374 PolarHBondContact O-N 3.48Å; N374-H376 PolarHBondContact O-N 2.73Å
375D84.8Confident83.3Confident53 Ų5365.8 Ų65.828%0.28332%0.324SS..  trans-76.8115.9172.5-176.3-67.4000110.1E373 A377 R378 F379E373-D375 WeakPolarHBondContact OE1-CB 3.49Å; E373-D375 PolarHBondContact OE1-N 3.38Å; D375-A377 VanDerWaalsContact C-N 3.31Å; D375-A377 PolarHBondContact O-N 2.82Å; D375-A377 PolarHBondContact OD1-N 2.95Å; D375-R378 HydrophobicContact CB-CB 4.07Å; D375-R378 HydrophobicContact CB-CG 4.23Å; D375-R378 PolarHBondContact O-N 2.85Å; D375-R378 PolarHBondContact OD1-N 2.99Å; D375-F379 WeakPolarHBondContact O-CB 3.49Å; D375-F379 PolarHBondContact O-N 3.39Å
376H84.6Confident82.9Confident65 Ų6563.1 Ų63.130%0.30130%0.304SS..Hα-helixtrans-62.7-37.1-174.8-65.6178.3000112.8L212 S213 Y216 N374 L380L212-H376 HydrophobicContact CB-CB 4.06Å; S213-H376 WeakPolarHBondContact CA-ND1 3.43Å; Y216-H376 AromaticContact CD1-CD2 3.64Å; Y216-H376 AromaticContact CD1-NE2 3.61Å; Y216-H376 HydrophobicContact CD2-CB 4.11Å; Y216-H376 AromaticContact CD2-CD2 3.47Å; Y216-H376 VanDerWaalsContact CD2-CD2 3.47Å; Y216-H376 WeakPolarHBondContact CD2-CD2 3.41Å; Y216-H376 AromaticContact CD2-CG 3.95Å; Y216-H376 AromaticContact CE1-CD2 3.95Å; Y216-H376 AromaticContact CE1-NE2 3.9Å; Y216-H376 AromaticContact CE2-CD2 3.77Å; Y216-H376 HydrophobicContact CG-CB 4.28Å; Y216-H376 AromaticContact CG-CD2 3.39Å; Y216-H376 AromaticContact CG-CG 3.79Å; Y216-H376 AromaticContact CG-NE2 3.84Å; N374-H376 PolarHBondContact O-N 2.73Å; H376-L380 WeakPolarHBondContact O-CB 3.23Å; H376-L380 WeakPolarHBondContact O-CD1 3.41Å; H376-L380 WeakPolarHBondContact O-CG 3.24Å; H376-L380 PolarHBondContact O-N 3.24Å
377A78.4Confident82.9Confident8 Ų859.8 Ų59.87%0.06629%0.289CS..Hα-helixtrans-72.8-43.6-178.100000110.9L173 V183 L193 L212 D375 L380 Q381L173-A377 HydrophobicContact CB-CB 4.38Å; L173-A377 VanDerWaalsContact CD1-C 3.41Å; L173-A377 HydrophobicContact CD1-CB 3.64Å; V183-A377 HydrophobicContact CG2-CB 3.79Å; L193-A377 HydrophobicContact CD1-CB 4.35Å; L193-A377 WeakPolarHBondContact CD1-O 3.14Å; L212-A377 HydrophobicContact CD1-CB 4.35Å; D375-A377 VanDerWaalsContact C-N 3.31Å; D375-A377 PolarHBondContact O-N 2.82Å; D375-A377 PolarHBondContact OD1-N 2.95Å; A377-L380 PolarHBondContact O-N 2.69Å; A377-Q381 PolarHBondContact O-N 3.07Å; A377-Q381 VanDerWaalsContact O-N 3.07Å
378R80.6Confident82.4Confident109 Ų10964.5 Ų64.541%0.41131%0.311SS..Hα-helixtrans-64.7-40.7176.5-72-174.6173.5148.42.2112.3L173 E373 D375 Q381 T382L173-R378 HydrophobicContact CD1-CB 4.49Å; L173-R378 HydrophobicContact CD1-CG 3.92Å; L173-R378 HydrophobicContact CG-CG 4.39Å; E373-R378 HydrophobicContact CG-CB 4.16Å; D375-R378 HydrophobicContact CB-CB 4.07Å; D375-R378 HydrophobicContact CB-CG 4.23Å; D375-R378 PolarHBondContact O-N 2.85Å; D375-R378 PolarHBondContact OD1-N 2.99Å; R378-Q381 PolarHBondContact O-N 3.37Å; R378-T382 PolarHBondContact O-OG1 3.3Å; R378-T382 VanDerWaalsContact O-OG1 3.13Å
379F86.2Confident81.9Confident0 Ų064.7 Ų64.70%031%0.308CS..Hα-helixtrans-60.6-52.2173.6177.5-99.6000110.7Y216 L219 K220 L223 S370 L371 E373 D375 Q381 T382 A383Y216-F379 HydrophobicContact CD2-CB 3.75Å; Y216-F379 AromaticContact CD2-CD1 3.33Å; Y216-F379 HydrophobicContact CD2-CD1 3.33Å; Y216-F379 HydrophobicContact CD2-CE1 4.1Å; Y216-F379 AromaticContact CD2-CG 3.68Å; Y216-F379 HydrophobicContact CD2-CG 3.68Å; Y216-F379 HydrophobicContact CE2-CB 3.64Å; Y216-F379 AromaticContact CE2-CD1 3.65Å; Y216-F379 HydrophobicContact CE2-CD1 3.65Å; Y216-F379 HydrophobicContact CE2-CD2 4.22Å; Y216-F379 HydrophobicContact CE2-CE1 4.36Å; Y216-F379 AromaticContact CE2-CG 3.55Å; Y216-F379 HydrophobicContact CE2-CG 3.55Å; Y216-F379 HydrophobicContact CG-CD1 4.27Å; L219-F379 HydrophobicContact CB-CE1 4.08Å; L219-F379 HydrophobicContact CD2-CE1 4.22Å; L219-F379 HydrophobicContact CG-CE1 4.13Å; K220-F379 HydrophobicContact CB-CE1 4.04Å; K220-F379 HydrophobicContact CB-CZ 3.89Å; K220-F379 HydrophobicContact CG-CZ 4.32Å; L223-F379 HydrophobicContact CD2-CE2 4.24Å; L223-F379 HydrophobicContact CD2-CZ 4.32Å; S370-F379 VanDerWaalsContact O-CD2 3.29Å; S370-F379 WeakPolarHBondContact O-CD2 3.46Å; L371-F379 HydrophobicContact CD2-CE2 4.47Å; E373-F379 HydrophobicContact CB-CB 4.24Å; E373-F379 HydrophobicContact CB-CD2 4.3Å; E373-F379 HydrophobicContact CG-CB 3.99Å; D375-F379 WeakPolarHBondContact O-CB 3.49Å; D375-F379 PolarHBondContact O-N 3.39Å; F379-Q381 PolarHBondContact O-N 2.9Å; F379-T382 PolarHBondContact O-N 3.42Å; F379-T382 VanDerWaalsContact O-N 3.1Å; F379-T382 PolarHBondContact O-OG1 3.49Å; F379-A383 HydrophobicContact CD1-CB 3.88Å; F379-A383 HydrophobicContact CD2-CB 3.96Å; F379-A383 HydrophobicContact CE1-CB 3.56Å; F379-A383 HydrophobicContact CE2-CB 3.63Å; F379-A383 HydrophobicContact CG-CB 4.08Å; F379-A383 HydrophobicContact CZ-CB 3.41Å; F379-A383 VanDerWaalsContact CZ-CB 3.41Å; F379-A383 WeakPolarHBondContact O-CB 3.31Å; F379-A383 PolarHBondContact O-N 3.35Å
380L82.8Confident81.8Confident14 Ų1458.1 Ų58.17%0.07328%0.278CS..Hα-helixtrans-61.2-31.1-177.3-73.4170.4000113.3Y186 L193 L212 R215 L219 H376 A377 T382Y186-L380 HydrophobicContact CD2-CD1 4.27Å; L193-L380 HydrophobicContact CD2-CB 4.21Å; L193-L380 HydrophobicContact CD2-CD1 4.09Å; L212-L380 HydrophobicContact CB-CD1 4.4Å; L212-L380 HydrophobicContact CD2-CD1 3.92Å; R215-L380 HydrophobicContact CB-CD1 4Å; R215-L380 HydrophobicContact CB-CD2 3.95Å; L219-L380 HydrophobicContact CB-CD2 4.36Å; L219-L380 HydrophobicContact CD2-CD2 3.84Å; H376-L380 WeakPolarHBondContact O-CB 3.23Å; H376-L380 WeakPolarHBondContact O-CD1 3.41Å; H376-L380 WeakPolarHBondContact O-CG 3.24Å; H376-L380 PolarHBondContact O-N 3.24Å; A377-L380 PolarHBondContact O-N 2.69Å; L380-T382 VanDerWaalsContact C-N 3.34Å; L380-T382 PolarHBondContact O-N 3.41Å
381Q77.5Confident81.8Confident122 Ų12260.3 Ų60.357%0.5729%0.293SS*.Hα-helixtrans-66.8-32.6177.2-168.1178.216.200113.2L193 A377 R378 F379L193-Q381 HydrophobicContact CD1-CB 4.31Å; A377-Q381 PolarHBondContact O-N 3.07Å; A377-Q381 VanDerWaalsContact O-N 3.07Å; R378-Q381 PolarHBondContact O-N 3.37Å; F379-Q381 PolarHBondContact O-N 2.9Å
382T75.5Confident81.2Confident67 Ų6765.7 Ų65.741%0.41132%0.319SS..Hα-helixtrans-109-31.4-171.956.30000113.4R378 F379 L380 K384 N385 I386R378-T382 PolarHBondContact O-OG1 3.3Å; R378-T382 VanDerWaalsContact O-OG1 3.13Å; F379-T382 PolarHBondContact O-N 3.42Å; F379-T382 VanDerWaalsContact O-N 3.1Å; F379-T382 PolarHBondContact O-OG1 3.49Å; L380-T382 VanDerWaalsContact C-N 3.34Å; L380-T382 PolarHBondContact O-N 3.41Å; T382-K384 VanDerWaalsContact C-N 3.33Å; T382-K384 PolarHBondContact O-N 3.46Å; T382-N385 PolarHBondContact O-N 3.27Å; T382-I386 PolarHBondContact O-N 2.94Å
383A80.2Confident80.8Confident0 Ų059.2 Ų59.20%029%0.294CS..Hα-helixtrans-64-32.9-171.700000113.5L219 F379 I386 T387L219-A383 HydrophobicContact CD2-CB 3.54Å; L219-A383 HydrophobicContact CG-CB 4.06Å; F379-A383 HydrophobicContact CD1-CB 3.88Å; F379-A383 HydrophobicContact CD2-CB 3.96Å; F379-A383 HydrophobicContact CE1-CB 3.56Å; F379-A383 HydrophobicContact CE2-CB 3.63Å; F379-A383 HydrophobicContact CG-CB 4.08Å; F379-A383 HydrophobicContact CZ-CB 3.41Å; F379-A383 VanDerWaalsContact CZ-CB 3.41Å; F379-A383 WeakPolarHBondContact O-CB 3.31Å; F379-A383 PolarHBondContact O-N 3.35Å; A383-I386 PolarHBondContact O-N 2.87Å; A383-T387 VanDerWaalsContact O-CB 3.28Å; A383-T387 WeakPolarHBondContact O-CB 3.12Å; A383-T387 PolarHBondContact O-N 2.97Å; A383-T387 PolarHBondContact O-OG1 3.48Å
384K75.3Confident80.7Confident91 Ų9157.2 Ų57.240%0.39629%0.286SS..Hα-helixtrans-61.1-49.6178.7-173.4-179175.3-175.80111.6D191 T382 I386 T387 E388D191-K384 WeakPolarHBondContact OD2-CE 3.3Å; D191-K384 IonicContact OD2-NZ 2.67Å; D191-K384 PolarHBondContact OD2-NZ 3.04Å; T382-K384 VanDerWaalsContact C-N 3.33Å; T382-K384 PolarHBondContact O-N 3.46Å; K384-I386 VanDerWaalsContact C-N 3.31Å; K384-I386 PolarHBondContact O-N 2.87Å; K384-T387 PolarHBondContact O-N 2.83Å; K384-E388 VanDerWaalsContact CE-OE1 3.29Å; K384-E388 WeakPolarHBondContact CE-OE1 3.24Å; K384-E388 PolarHBondContact O-N 3.22Å
385N76.3Confident80.5Confident90 Ų9053.4 Ų53.448%0.48127%0.273SS..Hα-helixtrans-60.4-42.5178.5-179.4-95.6000111.7T382 E388 R389T382-N385 PolarHBondContact O-N 3.27Å; N385-E388 PolarHBondContact O-N 2.9Å; N385-R389 WeakPolarHBondContact O-CB 3.31Å; N385-R389 VanDerWaalsContact O-CG 3.27Å; N385-R389 WeakPolarHBondContact O-CG 3.38Å; N385-R389 PolarHBondContact O-N 3.43Å; N385-R389 VanDerWaalsContact OD1-CD 3.24Å; N385-R389 WeakPolarHBondContact OD1-CD 3.43Å
386I80.7Confident80.1Confident15 Ų1553.2 Ų53.28%0.07728%0.275CS..Hα-helixtrans-68.6-40-179.2-65.3175.3000110.6L223 A367 S370 T382 A383 K384 R389 V390L223-I386 HydrophobicContact CD1-CG2 4.04Å; L223-I386 HydrophobicContact CD2-CG2 4.43Å; A367-I386 HydrophobicContact CB-CG2 3.81Å; S370-I386 WeakPolarHBondContact OG-CD1 3.42Å; T382-I386 PolarHBondContact O-N 2.94Å; A383-I386 PolarHBondContact O-N 2.87Å; K384-I386 VanDerWaalsContact C-N 3.31Å; K384-I386 PolarHBondContact O-N 2.87Å; I386-R389 PolarHBondContact O-N 2.67Å; I386-V390 HydrophobicContact CG2-CG2 4.31Å; I386-V390 WeakPolarHBondContact O-CB 3.42Å; I386-V390 VanDerWaalsContact O-CG2 3.26Å; I386-V390 WeakPolarHBondContact O-CG2 3.36Å; I386-V390 PolarHBondContact O-N 3.43Å
387T79.7Confident79.6Confident12 Ų1250.1 Ų50.17%0.07426%0.261CS..Hα-helixtrans-62.7-44.9177.4-58.10000111.3A383 K384 V390 S391A383-T387 VanDerWaalsContact O-CB 3.28Å; A383-T387 WeakPolarHBondContact O-CB 3.12Å; A383-T387 PolarHBondContact O-N 2.97Å; A383-T387 PolarHBondContact O-OG1 3.48Å; K384-T387 PolarHBondContact O-N 2.83Å; T387-V390 PolarHBondContact O-N 3.44Å; T387-S391 WeakPolarHBondContact O-CB 3.44Å; T387-S391 PolarHBondContact O-N 3.23Å
388E76.5Confident79.3Confident99 Ų9955.8 Ų55.846%0.46329%0.287SS..Hα-helixtrans-60.3-46.4174.1-74.1174-170.200111.5K384 N385 V390 S391 M392K384-E388 VanDerWaalsContact CE-OE1 3.29Å; K384-E388 WeakPolarHBondContact CE-OE1 3.24Å; K384-E388 PolarHBondContact O-N 3.22Å; N385-E388 PolarHBondContact O-N 2.9Å; E388-V390 PolarHBondContact O-N 3.24Å; E388-S391 PolarHBondContact O-N 2.74Å; E388-M392 WeakPolarHBondContact O-CB 3.38Å; E388-M392 VanDerWaalsContact O-CG 3.29Å; E388-M392 WeakPolarHBondContact O-CG 3.41Å; E388-M392 PolarHBondContact O-N 2.93Å
389R80.3Confident78.7Confident93 Ų9356.4 Ų56.435%0.35130%0.302SS..Hα-helixtrans-61.7-42178.2-72.7172.765.4-149.7-5.1112.4L363 N385 I386 M392 A393L363-R389 HydrophobicContact CD1-CB 3.84Å; L363-R389 HydrophobicContact CD2-CB 4.19Å; L363-R389 WeakPolarHBondContact CD2-O 3.37Å; N385-R389 WeakPolarHBondContact O-CB 3.31Å; N385-R389 VanDerWaalsContact O-CG 3.27Å; N385-R389 WeakPolarHBondContact O-CG 3.38Å; N385-R389 PolarHBondContact O-N 3.43Å; N385-R389 VanDerWaalsContact OD1-CD 3.24Å; N385-R389 WeakPolarHBondContact OD1-CD 3.43Å; I386-R389 PolarHBondContact O-N 2.67Å; R389-M392 PolarHBondContact O-N 3.09Å; R389-A393 WeakPolarHBondContact O-CB 3.26Å; R389-A393 PolarHBondContact O-N 3.41Å
390V85.1Confident77.3Confident0 Ų061 Ų610%033%0.326CS..Hα-helixtrans-64.9-42.5177.1171.10000110.6L223 N226 L230 L363 A367 I386 T387 E388 A393 T394L223-V390 HydrophobicContact CD1-CG2 4.29Å; N226-V390 HydrophobicContact CB-CG1 3.8Å; N226-V390 WeakPolarHBondContact O-CG1 3.37Å; L230-V390 HydrophobicContact CB-CG1 4.12Å; L230-V390 HydrophobicContact CD2-CG1 3.94Å; L230-V390 HydrophobicContact CD2-CG2 4.47Å; L363-V390 HydrophobicContact CD1-CG2 4.2Å; L363-V390 HydrophobicContact CD2-CG2 4.18Å; L363-V390 HydrophobicContact CG-CG2 3.94Å; A367-V390 HydrophobicContact CB-CG2 4.06Å; I386-V390 HydrophobicContact CG2-CG2 4.31Å; I386-V390 WeakPolarHBondContact O-CB 3.42Å; I386-V390 VanDerWaalsContact O-CG2 3.26Å; I386-V390 WeakPolarHBondContact O-CG2 3.36Å; I386-V390 PolarHBondContact O-N 3.43Å; T387-V390 PolarHBondContact O-N 3.44Å; E388-V390 PolarHBondContact O-N 3.24Å; V390-A393 PolarHBondContact O-N 3.41Å; V390-T394 WeakPolarHBondContact O-CB 3.46Å; V390-T394 PolarHBondContact O-N 3Å; V390-T394 PolarHBondContact O-OG1 3.16Å
391S84.3Confident76.2Confident60 Ų6061.3 Ų61.342%0.4233%0.328SS..Hα-helixtrans-61.9-47.7175.9-174.20000111.6T387 E388 A393 T394 A395T387-S391 WeakPolarHBondContact O-CB 3.44Å; T387-S391 PolarHBondContact O-N 3.23Å; E388-S391 PolarHBondContact O-N 2.74Å; S391-A393 PolarHBondContact O-N 3.3Å; S391-T394 WeakPolarHBondContact O-CB 3.41Å; S391-T394 PolarHBondContact O-N 3.28Å; S391-A395 PolarHBondContact O-N 3.17Å
392M78Confident75.2Confident135 Ų13559.9 Ų59.967%0.66533%0.329SS*.Hα-helixtrans-61.9-42.7176.5-71-177.874.200112.5E388 R389 T394 A395 S396E388-M392 WeakPolarHBondContact O-CB 3.38Å; E388-M392 VanDerWaalsContact O-CG 3.29Å; E388-M392 WeakPolarHBondContact O-CG 3.41Å; E388-M392 PolarHBondContact O-N 2.93Å; R389-M392 PolarHBondContact O-N 3.09Å; M392-T394 VanDerWaalsContact C-N 3.32Å; M392-T394 PolarHBondContact O-N 2.93Å; M392-A395 PolarHBondContact O-N 3.49Å; M392-S396 WeakPolarHBondContact O-CB 2.97Å; M392-S396 PolarHBondContact O-N 3.43Å; M392-S396 PolarHBondContact O-OG 3.05Å
393A79.4Confident74.2Confident18 Ų1866.1 Ų66.115%0.14935%0.353CS..Hα-helixtrans-60.4-44.7176.100000111L230 L363 R389 V390 S391 S396 S397L230-A393 HydrophobicContact CD1-CB 4.09Å; L230-A393 HydrophobicContact CD2-CB 4.18Å; L363-A393 HydrophobicContact CD2-CB 3.67Å; R389-A393 WeakPolarHBondContact O-CB 3.26Å; R389-A393 PolarHBondContact O-N 3.41Å; V390-A393 PolarHBondContact O-N 3.41Å; S391-A393 PolarHBondContact O-N 3.3Å; A393-S396 PolarHBondContact O-N 3.34Å; A393-S396 PolarHBondContact O-OG 2.9Å; A393-S397 PolarHBondContact O-N 3.1Å; A393-S397 VanDerWaalsContact O-N 3.09Å
394T84.6Confident73Confident21 Ų2167.6 Ų67.613%0.12936%0.361CS..Hα-helixtrans-59.7-49.5176.7-540000111.3V390 S391 M392 S396 S397V390-T394 WeakPolarHBondContact O-CB 3.46Å; V390-T394 PolarHBondContact O-N 3Å; V390-T394 PolarHBondContact O-OG1 3.16Å; S391-T394 WeakPolarHBondContact O-CB 3.41Å; S391-T394 PolarHBondContact O-N 3.28Å; M392-T394 VanDerWaalsContact C-N 3.32Å; M392-T394 PolarHBondContact O-N 2.93Å; T394-S396 PolarHBondContact O-N 3.04Å; T394-S397 PolarHBondContact O-N 3.5Å; T394-S397 PolarHBondContact O-OG 3.21Å
395A80.4Confident72.1Confident49 Ų4968.9 Ų68.941%0.40537%0.372SS..Hα-helixtrans-62.7-4317800000112.4S391 M392 S397 Q398 V399S391-A395 PolarHBondContact O-N 3.17Å; M392-A395 PolarHBondContact O-N 3.49Å; A395-S397 VanDerWaalsContact C-N 3.28Å; A395-S397 PolarHBondContact O-N 3.43Å; A395-Q398 WeakPolarHBondContact O-CB 3.05Å; A395-Q398 PolarHBondContact O-N 3.13Å; A395-Q398 VanDerWaalsContact O-N 3.09Å; A395-V399 PolarHBondContact O-N 3.34Å
396S75.4Confident71.2Confident49 Ų4968.1 Ų68.134%0.34337%0.368SS..Hα-helixtrans-61.8-36-179.971.60000112.8M392 A393 T394 Q398 V399 L400M392-S396 WeakPolarHBondContact O-CB 2.97Å; M392-S396 PolarHBondContact O-N 3.43Å; M392-S396 PolarHBondContact O-OG 3.05Å; A393-S396 PolarHBondContact O-N 3.34Å; A393-S396 PolarHBondContact O-OG 2.9Å; T394-S396 PolarHBondContact O-N 3.04Å; S396-Q398 PolarHBondContact O-N 3.35Å; S396-V399 PolarHBondContact O-N 2.79Å; S396-L400 WeakPolarHBondContact O-CB 3.31Å; S396-L400 WeakPolarHBondContact O-CD1 3.14Å; S396-L400 VanDerWaalsContact O-CG 3.3Å; S396-L400 WeakPolarHBondContact O-CG 3.41Å; S396-L400 PolarHBondContact O-N 3.14Å
397S74.9Confident70Confident1 Ų173.9 Ų73.91%0.00740%0.398CS..Hα-helixtrans-69.5-15.5177.775.70000114.2R233 A393 T394 A395R233-S397 VanDerWaalsContact CG-OG 3.26Å; R233-S397 WeakPolarHBondContact CG-OG 3.49Å; R233-S397 PolarHBondContact NH2-O 3.07Å; R233-S397 VanDerWaalsContact NH2-O 3.15Å; A393-S397 PolarHBondContact O-N 3.1Å; A393-S397 VanDerWaalsContact O-N 3.09Å; T394-S397 PolarHBondContact O-N 3.5Å; T394-S397 PolarHBondContact O-OG 3.21Å; A395-S397 VanDerWaalsContact C-N 3.28Å; A395-S397 PolarHBondContact O-N 3.43Å
398Q71.8Confident68.8Low127 Ų12778.1 Ų78.159%0.59342%0.421SS*.Hα-helixtrans-85.6-36173.9-65.1173.6-1.600111.5A395 S396A395-Q398 WeakPolarHBondContact O-CB 3.05Å; A395-Q398 PolarHBondContact O-N 3.13Å; A395-Q398 VanDerWaalsContact O-N 3.09Å; S396-Q398 PolarHBondContact O-N 3.35Å
399V67.6Low67.8Low122 Ų12276.5 Ų76.574%0.73942%0.418SS*.Hα-helixtrans-83.4-36.6-176.8179.40000112.3A395 S396 I401A395-V399 PolarHBondContact O-N 3.34Å; S396-V399 PolarHBondContact O-N 2.79Å; V399-I401 PolarHBondContact O-N 3.05Å
400L58.1Low66.7Low96 Ų9675.9 Ų75.950%0.50342%0.418SS..SBendtrans-74.2-10.2-172.5-73.9166.4000114.4S396S396-L400 WeakPolarHBondContact O-CB 3.31Å; S396-L400 WeakPolarHBondContact O-CD1 3.14Å; S396-L400 VanDerWaalsContact O-CG 3.3Å; S396-L400 WeakPolarHBondContact O-CG 3.41Å; S396-L400 PolarHBondContact O-N 3.14Å
401I59.5Low65.1Low21 Ų2182.4 Ų82.411%0.10845%0.453CS..SBendtrans-129.291.9-173-55.8172000108.2L237 V399 I404L237-I401 HydrophobicContact CD1-CD1 3.82Å; L237-I401 HydrophobicContact CD2-CD1 3.29Å; L237-I401 HydrophobicContact CG-CD1 4.17Å; V399-I401 PolarHBondContact O-N 3.05Å; I401-I404 HydrophobicContact CG2-CD1 4.21Å; I401-I404 HydrophobicContact CG2-CG1 4.43Å
402P55Low63.7Low91 Ų9185.3 Ų85.359%0.59147%0.468SS*.  trans-55.3153.6171.9-20.631000110.9I404P402-I404 PolarHBondContact O-N 3.08Å
403E54.6Low63Low198 Ų19883.1 Ų83.193%0.92546%0.455SS*.  trans-50.4111.1170.4-72.6-174.8165.500109.7N405E403-N405 PolarHBondContact O-N 3.38Å
404I55.5Low62.6Low31 Ų3186.7 Ų86.716%0.15948%0.484CS..  trans-73.3101-177.1-59.6165.8000106.5L240 L244 I401 P402 L406L240-I404 HydrophobicContact CB-CD1 4.47Å; L244-I404 HydrophobicContact CD1-CD1 3.83Å; L244-I404 HydrophobicContact CD2-CD1 4.22Å; L244-I404 HydrophobicContact CD2-CG2 3.67Å; L244-I404 HydrophobicContact CG-CD1 4.13Å; I401-I404 HydrophobicContact CG2-CD1 4.21Å; I401-I404 HydrophobicContact CG2-CG1 4.43Å; P402-I404 PolarHBondContact O-N 3.08Å; I404-L406 VanDerWaalsContact C-N 3.3Å; I404-L406 HydrophobicContact CG2-CD2 3.66Å; I404-L406 HydrophobicContact CG2-CG 3.91Å; I404-L406 PolarHBondContact O-N 3.13Å
405N56.3Low62.3Low119 Ų11990.1 Ų90.164%0.63650%0.501SS*.  trans-72.588.6171.9-170.1-10.7000109.4E403 N407E403-N405 PolarHBondContact O-N 3.38Å; N405-N407 PolarHBondContact O-N 3Å; N405-N407 WeakPolarHBondContact OD1-CA 3.34Å; N405-N407 VanDerWaalsContact OD1-CB 3.25Å; N405-N407 WeakPolarHBondContact OD1-CB 3.37Å; N405-N407 PolarHBondContact OD1-N 3.47Å
406L56.7Low62.4Low73 Ų7393.3 Ų93.338%0.38251%0.512SS..THydrogen-bonded Turntrans-68.6-7.9175.5-64.9168.7000112.9K243 L244 I404K243-L406 HydrophobicContact CD-CD1 4.46Å; L244-L406 HydrophobicContact CD2-CD2 4.33Å; I404-L406 VanDerWaalsContact C-N 3.3Å; I404-L406 HydrophobicContact CG2-CD2 3.66Å; I404-L406 HydrophobicContact CG2-CG 3.91Å; I404-L406 PolarHBondContact O-N 3.13Å
407N55.8Low62.8Low136 Ų13696.6 Ų96.673%0.72752%0.52SS*.THydrogen-bonded Turntrans-91.87.7-179.8-96.610.9000113.6N405 T409N405-N407 PolarHBondContact O-N 3Å; N405-N407 WeakPolarHBondContact OD1-CA 3.34Å; N405-N407 VanDerWaalsContact OD1-CB 3.25Å; N405-N407 WeakPolarHBondContact OD1-CB 3.37Å; N405-N407 PolarHBondContact OD1-N 3.47Å; N407-T409 PolarHBondContact O-N 3.02Å; N407-T409 PolarHBondContact O-OG1 2.95Å
408D55Low63.3Low102 Ų102100.3 Ų100.355%0.54555%0.546SS..  trans-77.258.5172.7-155.117.6000110.5R342R342-D408 IonicContact NH2-OD1 3.9Å
409T56Low64Low65 Ų65102.7 Ų102.740%0.39955%0.55SS..  trans-60.8164.3170.935.80000109.9R342 N407 D411R342-T409 PolarHBondContact NH2-O 3.45Å; N407-T409 PolarHBondContact O-N 3.02Å; N407-T409 PolarHBondContact O-OG1 2.95Å; T409-D411 WeakPolarHBondContact CB-OD1 3.29Å; T409-D411 WeakPolarHBondContact CB-OD2 3.34Å; T409-D411 PolarHBondContact O-N 2.96Å; T409-D411 PolarHBondContact OG1-OD1 3.39Å; T409-D411 PolarHBondContact OG1-OD2 3.48Å
410F56Low64.9Low80 Ų80100.2 Ų100.235%0.35153%0.53SS..G310 helixtrans-67.317.9174.9-108.4-83.9000113.5I335 K339 T412 F413I335-F410 HydrophobicContact CG2-CE1 4.36Å; K339-F410 HydrophobicContact CB-CE2 4.44Å; K339-F410 HydrophobicContact CB-CZ 4.36Å; F410-T412 PolarHBondContact O-N 3.16Å; F410-T412 VanDerWaalsContact O-N 3.16Å; F410-F413 HydrophobicContact CD1-CB 4Å; F410-F413 PolarHBondContact O-N 3.4Å
411D52.4Low66.1Low136 Ų136101.8 Ų101.873%0.72753%0.533SS*.G310 helixtrans-68.7-16.9-171.9-62-7.7000112.8T409 F413T409-D411 WeakPolarHBondContact CB-OD1 3.29Å; T409-D411 WeakPolarHBondContact CB-OD2 3.34Å; T409-D411 PolarHBondContact O-N 2.96Å; T409-D411 PolarHBondContact OG1-OD1 3.39Å; T409-D411 PolarHBondContact OG1-OD2 3.48Å; D411-F413 VanDerWaalsContact C-N 3.32Å
412T55Low67.2Low121 Ų121107.6 Ų107.674%0.74256%0.557SS**G310 helixtrans-80.6-7.5173.637.20000114F410F410-T412 PolarHBondContact O-N 3.16Å; F410-T412 VanDerWaalsContact O-N 3.16Å
413F64.1Low68.3Low89 Ų89108.7 Ų108.739%0.3956%0.558SS.*  trans-109.194.3177.2-166.8-93000111I331 I335 F410 D411 L415I331-F413 HydrophobicContact CG2-CZ 4.05Å; I335-F413 HydrophobicContact CD1-CD1 4.34Å; I335-F413 HydrophobicContact CD1-CE1 3.47Å; I335-F413 VanDerWaalsContact CD1-CE1 3.47Å; I335-F413 HydrophobicContact CD1-CZ 3.84Å; I335-F413 HydrophobicContact CG1-CD1 4.22Å; I335-F413 HydrophobicContact CG1-CE1 3.56Å; I335-F413 HydrophobicContact CG1-CE2 4.29Å; I335-F413 HydrophobicContact CG1-CZ 3.6Å; F410-F413 HydrophobicContact CD1-CB 4Å; F410-F413 PolarHBondContact O-N 3.4Å; D411-F413 VanDerWaalsContact C-N 3.32Å; F413-L415 HydrophobicContact CD1-CG 4.34Å; F413-L415 HydrophobicContact CE1-CD1 4.02Å; F413-L415 HydrophobicContact CE1-CD2 3.64Å; F413-L415 HydrophobicContact CE1-CG 3.6Å; F413-L415 HydrophobicContact CZ-CD2 3.78Å; F413-L415 HydrophobicContact CZ-CG 4.27Å
414A69.6Low69.6Low93 Ų93103.1 Ų103.177%0.76953%0.534SS*.  trans-104.1127.6173.600000110.5
415L78.7Confident70.6Confident93 Ų93108 Ų10849%0.48756%0.556SS.*  trans-96.3117.7169.8-68.7173.2000108.9I331 F413 F417I331-L415 HydrophobicContact CG2-CD2 3.93Å; F413-L415 HydrophobicContact CD1-CG 4.34Å; F413-L415 HydrophobicContact CE1-CD1 4.02Å; F413-L415 HydrophobicContact CE1-CD2 3.64Å; F413-L415 HydrophobicContact CE1-CG 3.6Å; F413-L415 HydrophobicContact CZ-CD2 3.78Å; F413-L415 HydrophobicContact CZ-CG 4.27Å; L415-F417 HydrophobicContact CB-CD2 4.42Å; L415-F417 HydrophobicContact CB-CE2 3.85Å; L415-F417 HydrophobicContact CB-CZ 4.48Å; L415-F417 HydrophobicContact CD1-CE2 4.17Å; L415-F417 HydrophobicContact CD2-CE2 4.43Å; L415-F417 HydrophobicContact CD2-CZ 4.26Å; L415-F417 HydrophobicContact CG-CE2 4.38Å
416D81.7Confident71.6Confident117 Ų117106.8 Ų106.863%0.62656%0.555SS**  trans-117118.1170-175.912.4000109.5S418D416-S418 WeakPolarHBondContact OD1-CB 3.38Å; D416-S418 PolarHBondContact OD1-N 2.88Å; D416-S418 PolarHBondContact OD1-OG 3.36Å
417F84.3Confident72.3Confident117 Ų117108.9 Ų108.951%0.51357%0.567SS.*  trans-111.912.6176.9-64.6-75.2000111.9L415 R419 E420 K421L415-F417 HydrophobicContact CB-CD2 4.42Å; L415-F417 HydrophobicContact CB-CE2 3.85Å; L415-F417 HydrophobicContact CB-CZ 4.48Å; L415-F417 HydrophobicContact CD1-CE2 4.17Å; L415-F417 HydrophobicContact CD2-CE2 4.43Å; L415-F417 HydrophobicContact CD2-CZ 4.26Å; L415-F417 HydrophobicContact CG-CE2 4.38Å; F417-R419 VanDerWaalsContact C-N 3.28Å; F417-R419 PolarHBondContact O-N 3.23Å; F417-E420 PolarHBondContact O-N 3.32Å; F417-K421 VanDerWaalsContact O-CB 3.27Å; F417-K421 WeakPolarHBondContact O-CB 3.43Å; F417-K421 PolarHBondContact O-N 2.92Å
418S85.4Confident72.5Confident80 Ų80108.7 Ų108.756%0.55957%0.566SS**Hα-helixtrans-61.3-38.4-171.9-57.90000112.1D416 K422D416-S418 WeakPolarHBondContact OD1-CB 3.38Å; D416-S418 PolarHBondContact OD1-N 2.88Å; D416-S418 PolarHBondContact OD1-OG 3.36Å; S418-K422 WeakPolarHBondContact O-CB 3.44Å; S418-K422 PolarHBondContact O-N 3.43Å; S418-K422 VanDerWaalsContact O-N 3.16Å
419R87.6Confident72.5Confident177 Ų177112.5 Ų112.567%0.66857%0.574SS**Hα-helixtrans-69.4-48.8178.9-174.6-176.669.3170.62.9111.8F417 K421 K422 L423F417-R419 VanDerWaalsContact C-N 3.28Å; F417-R419 PolarHBondContact O-N 3.23Å; R419-K421 VanDerWaalsContact C-N 3.32Å; R419-K421 PolarHBondContact O-N 3.21Å; R419-K422 WeakPolarHBondContact O-CB 3.34Å; R419-K422 PolarHBondContact O-N 2.81Å; R419-L423 PolarHBondContact O-N 3.47Å
420E85.6Confident72.3Confident70 Ų70116.4 Ų116.433%0.32759%0.591SS.*Hα-helixtrans-64.1-40.1-178.2-69.165.7-147.400110.7F417 K422 L423 L424F417-E420 PolarHBondContact O-N 3.32Å; E420-K422 PolarHBondContact O-N 2.82Å; E420-L423 PolarHBondContact O-N 2.91Å; E420-L424 WeakPolarHBondContact O-CG 3.49Å; E420-L424 PolarHBondContact O-N 3.09Å; E420-L424 VanDerWaalsContact O-N 3.1Å
421K82.8Confident72.2Confident128 Ų128117 Ų11756%0.55760%0.602SS**Hα-helixtrans-60.1-45.6173.5-176.2179.2172.1-1700111.6F417 R419 L423 L424 E425F417-K421 VanDerWaalsContact O-CB 3.27Å; F417-K421 WeakPolarHBondContact O-CB 3.43Å; F417-K421 PolarHBondContact O-N 2.92Å; R419-K421 VanDerWaalsContact C-N 3.32Å; R419-K421 PolarHBondContact O-N 3.21Å; K421-L423 VanDerWaalsContact C-N 3.32Å; K421-L423 PolarHBondContact O-N 3.3Å; K421-L424 PolarHBondContact O-N 2.94Å; K421-E425 WeakPolarHBondContact CE-OE1 3.15Å; K421-E425 IonicContact NZ-OE1 2.8Å; K421-E425 WeakPolarHBondContact O-CG 3.16Å; K421-E425 PolarHBondContact O-N 3.31Å
422K83.1Confident72.1Confident143 Ų143113.5 Ų113.562%0.62259%0.591SS**Hα-helixtrans-62.6-38.1177.9-169.5177.2-178.3-179.40112.2S418 R419 E420 E425 C426S418-K422 WeakPolarHBondContact O-CB 3.44Å; S418-K422 PolarHBondContact O-N 3.43Å; S418-K422 VanDerWaalsContact O-N 3.16Å; R419-K422 WeakPolarHBondContact O-CB 3.34Å; R419-K422 PolarHBondContact O-N 2.81Å; E420-K422 PolarHBondContact O-N 2.82Å; K422-E425 PolarHBondContact O-N 2.94Å; K422-C426 PolarHBondContact O-N 2.81Å; K422-C426 VanDerWaalsContact O-N 3.17Å; K422-C426 PolarHBondContact O-SG 2.97Å
423L79.1Confident72.2Confident114 Ų114108.3 Ų108.360%0.59756%0.56SS**Hα-helixtrans-63.5-42.8175.8-73.1169.9000112.1R419 E420 K421 C426R419-L423 PolarHBondContact O-N 3.47Å; E420-L423 PolarHBondContact O-N 2.91Å; K421-L423 VanDerWaalsContact C-N 3.32Å; K421-L423 PolarHBondContact O-N 3.3Å; L423-C426 PolarHBondContact O-N 3Å
424L80.5Confident71.8Confident81 Ų81109.7 Ų109.742%0.42457%0.571SS.*Hα-helixtrans-67.4-36.4176.8-68.8172.1000112.3I324 E420 K421 C426 L427I324-L424 HydrophobicContact CD1-CD1 4.24Å; E420-L424 WeakPolarHBondContact O-CG 3.49Å; E420-L424 PolarHBondContact O-N 3.09Å; E420-L424 VanDerWaalsContact O-N 3.1Å; K421-L424 PolarHBondContact O-N 2.94Å; L424-C426 PolarHBondContact O-N 3.41Å; L424-L427 HydrophobicContact CD2-CD1 3.83Å; L424-L427 PolarHBondContact O-N 2.84Å
425E77.7Confident71.4Confident135 Ų135109.2 Ų109.263%0.63156%0.56SS**Hα-helixtrans-67.1-22.7175.3-74.2173.5171.400113.1K421 K422K421-E425 WeakPolarHBondContact CE-OE1 3.15Å; K421-E425 IonicContact NZ-OE1 2.8Å; K421-E425 WeakPolarHBondContact O-CG 3.16Å; K421-E425 PolarHBondContact O-N 3.31Å; K422-E425 PolarHBondContact O-N 2.94Å
426C75.7Confident70.8Confident92 Ų92105.2 Ų105.262%0.62254%0.54SS*.THydrogen-bonded Turntrans-92.44.6178.1-66.90000114.1K422 L423 L424 D428K422-C426 PolarHBondContact O-N 2.81Å; K422-C426 VanDerWaalsContact O-N 3.17Å; K422-C426 PolarHBondContact O-SG 2.97Å; L423-C426 PolarHBondContact O-N 3Å; L424-C426 PolarHBondContact O-N 3.41Å; C426-D428 PolarHBondContact O-N 3.43Å
427L71.5Confident70.2Confident118 Ų118103.7 Ų103.762%0.61854%0.535SS*.  trans-68.5118.2175.3-76.8168000110.3L320 L424L320-L427 HydrophobicContact CD1-CD1 4.33Å; L424-L427 HydrophobicContact CD2-CD1 3.83Å; L424-L427 PolarHBondContact O-N 2.84Å
428D60.3Low69.7Low132 Ų132100 Ų10071%0.70652%0.52SS*.  trans-133.2158.8177.9-155.1-2.4000110.9C426C426-D428 PolarHBondContact O-N 3.43Å
429Y55.9Low68.8Low182 Ų18299.8 Ų99.871%0.71451%0.507SS*.PPolyproline II helixtrans-78.1134.8175.764-80.9000109.8T431Y429-T431 PolarHBondContact O-N 2.98Å
430L52.5Low67.8Low147 Ų14799 Ų9977%0.7751%0.511SS*.PPolyproline II helixtrans-74116.5172.7-64.6172.4000108.8A432 T538L430-A432 PolarHBondContact O-N 3.35Å; L430-T538 HydrophobicContact CD1-CG2 4.22Å
431T52Low66.9Low93 Ų93101.9 Ų101.957%0.57152%0.524SS*.PPolyproline II helixtrans-67.6124.7171.3-55.40000108.8Y429Y429-T431 PolarHBondContact O-N 2.98Å
432A51.6Low66.2Low61 Ų6199 Ų9950%0.50452%0.515SS..PPolyproline II helixtrans-63.8140.7174.700000110L430 V536L430-A432 PolarHBondContact O-N 3.35Å; A432-V536 HydrophobicContact CB-CG2 3.93Å
433P55.6Low65.7Low12 Ų1294 Ų948%0.07850%0.497CS..PPolyproline II helixtrans-55.8149.3171.8-2133.3000110.4D458 F460 V462 T534 V536P433-D458 WeakPolarHBondContact CA-OD2 3.27Å; P433-D458 HydrophobicContact CB-CB 4.13Å; P433-D458 WeakPolarHBondContact CB-OD2 3.41Å; P433-F460 HydrophobicContact CB-CB 4.2Å; P433-F460 HydrophobicContact CB-CD2 4.09Å; P433-F460 HydrophobicContact CG-CB 3.64Å; P433-F460 HydrophobicContact CG-CD2 3.92Å; P433-F460 HydrophobicContact CG-CG 4.11Å; P433-V462 HydrophobicContact CB-CG2 4.01Å; P433-V462 HydrophobicContact CG-CG2 4.01Å; P433-T534 HydrophobicContact CB-CG2 4.32Å; P433-V536 HydrophobicContact CG-CG2 4.08Å
434N57Low65.1Low118 Ų11892.4 Ų92.463%0.63149%0.493SS*.PPolyproline II helixtrans-59.2146.4178.4-69.5-56.7000110.9D458 T534N434-D458 PolarHBondContact N-OD2 3.4Å; N434-T534 PolarHBondContact O-OG1 3.38Å
435P59.8Low64.2Low84 Ų8492.5 Ų92.555%0.54551%0.505SS..PPolyproline II helixtrans-52.5138.1170.3-24.934.2000111.1T534P435-T534 WeakPolarHBondContact CA-OG1 3.36Å
436P66.1Low63.6Low9 Ų988.9 Ų88.96%0.05849%0.494CS..PPolyproline II helixtrans-64.4148.117629.5-36.3000110.6W454 T455 Y465 C532 T534P436-W454 HydrophobicContact CB-CB 4.38Å; P436-W454 VanDerWaalsContact CB-CD1 3.42Å; P436-W454 HydrophobicContact CB-CG 4.16Å; P436-T455 CarbonylContact C-O 3.57Å; P436-T455 VanDerWaalsContact CA-O 3.27Å; P436-T455 WeakPolarHBondContact CA-O 3.35Å; P436-T455 VanDerWaalsContact CB-O 3.29Å; P436-T455 WeakPolarHBondContact CB-O 3.45Å; P436-Y465 HydrophobicContact CB-CD1 4.21Å; P436-Y465 HydrophobicContact CB-CE1 3.92Å; P436-Y465 HydrophobicContact CG-CD1 3.51Å; P436-Y465 HydrophobicContact CG-CE1 3.7Å; P436-Y465 HydrophobicContact CG-CG 4.36Å; P436-C532 HydrophobicContact CG-CB 3.96Å; P436-C532 WeakPolarHBondContact CG-SG 3.07Å; P436-T534 WeakPolarHBondContact CD-OG1 3.34Å
437T70.1Confident62.4Low85 Ų8594.8 Ų94.852%0.52151%0.505SS..EExtended strand (participates in β ladder)trans-89.1120.6178.7-59.30000109.5R439 W454 T455T437-R439 PolarHBondContact O-N 2.71Å; T437-W454 CarbonylContact O-C 3.53Å; T437-W454 WeakPolarHBondContact O-CA 3.48Å; T437-W454 WeakPolarHBondContact O-CB 3.12Å; T437-T455 PolarHBondContact N-O 2.77Å; T437-T455 PolarHBondContact O-N 3.12Å
438I73Confident61.8Low40 Ų4092.7 Ų92.721%0.20550%0.495CS..EExtended strand (participates in β ladder)trans-73.2126173.7-61.1176.2000108.4E440 V452 W454 L467 L530 C532I438-E440 PolarHBondContact O-N 3.08Å; I438-V452 HydrophobicContact CD1-CG1 4.49Å; I438-V452 HydrophobicContact CG2-CG1 3.98Å; I438-W454 HydrophobicContact CG1-CB 4.43Å; I438-L467 HydrophobicContact CD1-CD1 4.44Å; I438-L530 HydrophobicContact CD1-CB 4.08Å; I438-C532 HydrophobicContact CD1-CB 4.16Å; I438-C532 HydrophobicContact CG1-CB 4.27Å
439R68Low61.5Low74 Ų7488.6 Ų88.628%0.27947%0.474SS..  trans-89.982.9176.8-66.4-167.364-174.30.9108.8T437 E441 L442 C443 H453 T455 E513T437-R439 PolarHBondContact O-N 2.71Å; R439-E441 VanDerWaalsContact C-OE2 3.3Å; R439-E441 WeakPolarHBondContact CA-OE2 3.44Å; R439-E441 IonicContact CZ-OE1 2.93Å; R439-E441 IonicContact NE-OE1 3.33Å; R439-E441 PolarHBondContact NE-OE1 3.1Å; R439-E441 IonicContact NH2-OE1 3.47Å; R439-E441 PolarHBondContact NH2-OE1 3.24Å; R439-E441 PolarHBondContact O-N 2.91Å; R439-E441 VanDerWaalsContact O-N 3.15Å; R439-L442 HydrophobicContact CB-CB 4.29Å; R439-L442 HydrophobicContact CB-CD1 4.19Å; R439-L442 HydrophobicContact CB-CG 4.26Å; R439-L442 VanDerWaalsContact CZ-CD1 3.45Å; R439-L442 PolarHBondContact O-N 3.32Å; R439-C443 PolarHBondContact O-N 3.42Å; R439-C443 PolarHBondContact O-SG 3.45Å; R439-H453 HydrophobicContact CB-CB 4.48Å; R439-H453 PolarHBondContact N-O 2.68Å; R439-T455 HydrophobicContact CG-CG2 4.26Å; R439-E513 IonicContact NH1-OE1 3.27Å; R439-E513 PolarHBondContact NH1-OE1 2.77Å
440E66.8Low61.9Low162 Ų16280.9 Ų80.976%0.75745%0.445SS*.G310 helixtrans-52.7-35.6-177.1-65.1-174.9-177.600111.9I438 L442 C443I438-E440 PolarHBondContact O-N 3.08Å; E440-L442 PolarHBondContact O-N 2.83Å; E440-C443 WeakPolarHBondContact O-CB 3.19Å; E440-C443 PolarHBondContact O-N 2.98Å; E440-C443 VanDerWaalsContact O-N 3.15Å
441E65Low62.5Low129 Ų12974.4 Ų74.460%0.60341%0.412SS*.G310 helixtrans-66.5-20.4-18073-77.5-177.300114.3R439R439-E441 VanDerWaalsContact C-OE2 3.3Å; R439-E441 WeakPolarHBondContact CA-OE2 3.44Å; R439-E441 IonicContact CZ-OE1 2.93Å; R439-E441 IonicContact NE-OE1 3.33Å; R439-E441 PolarHBondContact NE-OE1 3.1Å; R439-E441 IonicContact NH2-OE1 3.47Å; R439-E441 PolarHBondContact NH2-OE1 3.24Å; R439-E441 PolarHBondContact O-N 2.91Å; R439-E441 VanDerWaalsContact O-N 3.15Å
442L69.7Low63.2Low67 Ų6770 Ų7035%0.35139%0.385SS..G310 helixtrans-101.7-12.7176.4-61.6-176.4000112.4R439 E440 H453R439-L442 HydrophobicContact CB-CB 4.29Å; R439-L442 HydrophobicContact CB-CD1 4.19Å; R439-L442 HydrophobicContact CB-CG 4.26Å; R439-L442 VanDerWaalsContact CZ-CD1 3.45Å; R439-L442 PolarHBondContact O-N 3.32Å; E440-L442 PolarHBondContact O-N 2.83Å; L442-H453 HydrophobicContact CB-CB 3.73Å; L442-H453 HydrophobicContact CD1-CB 4.48Å; L442-H453 PolarHBondContact O-CD2 3.07Å
443C71Confident63.9Low38 Ų3869.4 Ų69.426%0.25737%0.371SS..  trans-69.9135.1178.1-63.80000109.6R439 E440 T451 H453R439-C443 PolarHBondContact O-N 3.42Å; R439-C443 PolarHBondContact O-SG 3.45Å; E440-C443 WeakPolarHBondContact O-CB 3.19Å; E440-C443 PolarHBondContact O-N 2.98Å; E440-C443 VanDerWaalsContact O-N 3.15Å; C443-T451 CarbonylContact C-O 3.6Å; C443-T451 WeakPolarHBondContact CA-O 3.3Å; C443-T451 WeakPolarHBondContact CB-O 3.38Å; C443-H453 PolarHBondContact SG-N 2.79Å
444T66.4Low64.8Low82 Ų8269.5 Ų69.550%0.50337%0.37SS..EExtended strand (participates in β ladder)trans-119.1143.1177.656.80000110I450 T451T444-I450 CarbonylContact O-C 3.47Å; T444-I450 WeakPolarHBondContact O-CA 3.31Å; T444-T451 PolarHBondContact N-O 3.46Å; T444-T451 PolarHBondContact O-N 3.1Å; T444-T451 VanDerWaalsContact OG1-CB 3.27Å; T444-T451 WeakPolarHBondContact OG1-CB 3.39Å; T444-T451 PolarHBondContact OG1-OG1 3.29Å
445A63Low65.5Low82 Ų8264.9 Ų64.968%0.67835%0.346SS*.EExtended strand (participates in β ladder)trans-126.3128174.300000108.6T449 I450A445-T449 CarbonylContact C-O 3.45Å; A445-T449 WeakPolarHBondContact CA-O 3.47Å; A445-I450 HydrophobicContact CB-CG1 3.97Å
446S64.8Low65.9Low59 Ų5961.6 Ų61.641%0.41333%0.325SS..  trans-111.6-175169.583.80000109.5D448 T449S446-D448 PolarHBondContact O-N 3.06Å; S446-D448 PolarHBondContact OG-N 3.38Å; S446-D448 PolarHBondContact OG-OD1 2.91Å; S446-T449 PolarHBondContact N-O 3.34Å; S446-T449 PolarHBondContact OG-N 3.47Å; S446-T449 PolarHBondContact OG-O 3.12Å; S446-T449 PolarHBondContact OG-OG1 2.97Å
447Y50.8Low65.8Low217 Ų21767.7 Ų67.785%0.85136%0.357SS*.SBendtrans-63.4-29.6-178.4-69.1-77000113.4
448D58.3Low65.3Low74 Ų7465.3 Ų65.340%0.39634%0.341SS..SBendtrans-1348.1-173.464.3-8.2000112.5S446 D519 L520S446-D448 PolarHBondContact O-N 3.06Å; S446-D448 PolarHBondContact OG-N 3.38Å; S446-D448 PolarHBondContact OG-OD1 2.91Å; D448-D519 CarbonylContact O-C 3.59Å; D448-D519 WeakPolarHBondContact O-CA 3.47Å; D448-D519 VanDerWaalsContact O-OD1 3.12Å; D448-L520 WeakPolarHBondContact O-CA 3.35Å; D448-L520 PolarHBondContact O-N 3.37Å
449T55Low64.5Low45 Ų4572.8 Ų72.828%0.27638%0.375SS..EExtended strand (participates in β ladder)trans-145.9143.7176.547.80000112.8A445 S446 I518A445-T449 CarbonylContact C-O 3.45Å; A445-T449 WeakPolarHBondContact CA-O 3.47Å; S446-T449 PolarHBondContact N-O 3.34Å; S446-T449 PolarHBondContact OG-N 3.47Å; S446-T449 PolarHBondContact OG-O 3.12Å; S446-T449 PolarHBondContact OG-OG1 2.97Å; T449-I518 CarbonylContact C-O 3.49Å; T449-I518 WeakPolarHBondContact CA-O 3.42Å
450I62.8Low64Low20 Ų2075.1 Ų75.110%0.10339%0.388CS..EExtended strand (participates in β ladder)trans-118.2129.1165.2-72.5176.2000109.2T444 A445 V452 I518 L520 I528 L530T444-I450 CarbonylContact O-C 3.47Å; T444-I450 WeakPolarHBondContact O-CA 3.31Å; A445-I450 HydrophobicContact CB-CG1 3.97Å; I450-V452 HydrophobicContact CG2-CG2 3.74Å; I450-I518 HydrophobicContact CB-CB 4.43Å; I450-I518 PolarHBondContact N-O 2.88Å; I450-I518 PolarHBondContact O-N 3.4Å; I450-L520 HydrophobicContact CB-CD1 4.28Å; I450-L520 HydrophobicContact CD1-CD1 3.62Å; I450-L520 HydrophobicContact CG1-CD1 3.54Å; I450-I528 HydrophobicContact CD1-CB 3.86Å; I450-I528 HydrophobicContact CD1-CD1 3.37Å; I450-I528 HydrophobicContact CD1-CG1 4.07Å; I450-I528 HydrophobicContact CD1-CG2 4.14Å; I450-L530 HydrophobicContact CG2-CD1 4.42Å
451T64.9Low63.4Low11 Ų1172.6 Ų72.67%0.06739%0.388CS..EExtended strand (participates in β ladder)trans-103.9118.9171.3-47.40000108.9C443 T444 H453 T515 I516 F517C443-T451 CarbonylContact C-O 3.6Å; C443-T451 WeakPolarHBondContact CA-O 3.3Å; C443-T451 WeakPolarHBondContact CB-O 3.38Å; T444-T451 PolarHBondContact N-O 3.46Å; T444-T451 PolarHBondContact O-N 3.1Å; T444-T451 VanDerWaalsContact OG1-CB 3.27Å; T444-T451 WeakPolarHBondContact OG1-CB 3.39Å; T444-T451 PolarHBondContact OG1-OG1 3.29Å; T451-H453 WeakPolarHBondContact CG2-NE2 3.22Å; T451-T515 HydrophobicContact CG2-CG2 3.23Å; T451-I516 CarbonylContact C-O 3.55Å; T451-I516 VanDerWaalsContact CA-O 3.3Å; T451-I516 WeakPolarHBondContact CA-O 3.41Å; T451-F517 HydrophobicContact CG2-CD1 3.95Å; T451-F517 HydrophobicContact CG2-CE1 3.68Å; T451-F517 HydrophobicContact CG2-CZ 4.16Å; T451-F517 WeakPolarHBondContact OG1-CD1 3.18Å; T451-F517 WeakPolarHBondContact OG1-CE1 3.46Å
452V68Low63Low0 Ų067.8 Ų67.80%037%0.368CS..EExtended strand (participates in β ladder)trans-105.4126.1179.6-170.90000109.2I438 I450 W454 L467 T515 I516 I518 L530I438-V452 HydrophobicContact CD1-CG1 4.49Å; I438-V452 HydrophobicContact CG2-CG1 3.98Å; I450-V452 HydrophobicContact CG2-CG2 3.74Å; V452-W454 HydrophobicContact CG1-CE3 4.39Å; V452-W454 WeakPolarHBondContact O-CZ3 3.37Å; V452-L467 HydrophobicContact CB-CD2 4.43Å; V452-L467 HydrophobicContact CG2-CD2 4.18Å; V452-T515 WeakPolarHBondContact O-CA 3.37Å; V452-I516 PolarHBondContact N-O 3.43Å; V452-I516 PolarHBondContact O-N 3.16Å; V452-I518 HydrophobicContact CG2-CD1 4.12Å; V452-L530 HydrophobicContact CB-CD1 4.39Å; V452-L530 HydrophobicContact CG1-CD1 4.06Å; V452-L530 HydrophobicContact CG2-CD1 3.43Å; V452-L530 VanDerWaalsContact CG2-CD1 3.43Å; V452-L530 HydrophobicContact CG2-CD2 4.25Å; V452-L530 HydrophobicContact CG2-CG 4.47Å
453H65.4Low62.2Low49 Ų4968.9 Ų68.923%0.22738%0.377CS..EExtended strand (participates in β ladder)trans-109.5136.4175-72-100.6000110R439 L442 C443 T451 H514 T515R439-H453 HydrophobicContact CB-CB 4.48Å; R439-H453 PolarHBondContact N-O 2.68Å; L442-H453 HydrophobicContact CB-CB 3.73Å; L442-H453 HydrophobicContact CD1-CB 4.48Å; L442-H453 PolarHBondContact O-CD2 3.07Å; C443-H453 PolarHBondContact SG-N 2.79Å; T451-H453 WeakPolarHBondContact CG2-NE2 3.22Å; H453-H514 WeakPolarHBondContact CA-O 3.36Å; H453-T515 PolarHBondContact CE1-OG1 3.48Å; H453-T515 PolarHBondContact ND1-OG1 3.47Å; H453-T515 VanDerWaalsContact ND1-OG1 3.11Å
454W74.3Confident61.4Low15 Ų1568.9 Ų68.96%0.05738%0.377CS..EExtended strand (participates in β ladder)trans-143.7157174.769.289.6000111.9P436 T437 I438 V452 Y465 H514 I516P436-W454 HydrophobicContact CB-CB 4.38Å; P436-W454 VanDerWaalsContact CB-CD1 3.42Å; P436-W454 HydrophobicContact CB-CG 4.16Å; T437-W454 CarbonylContact O-C 3.53Å; T437-W454 WeakPolarHBondContact O-CA 3.48Å; T437-W454 WeakPolarHBondContact O-CB 3.12Å; I438-W454 HydrophobicContact CG1-CB 4.43Å; V452-W454 HydrophobicContact CG1-CE3 4.39Å; V452-W454 WeakPolarHBondContact O-CZ3 3.37Å; W454-Y465 AromaticContact NE1-CD2 3.85Å; W454-H514 HydrophobicContact CD2-CB 3.97Å; W454-H514 HydrophobicContact CE3-CB 4.39Å; W454-H514 HydrophobicContact CH2-CB 3.62Å; W454-H514 HydrophobicContact CZ2-CB 3.2Å; W454-H514 AromaticContact CZ2-CG 3.98Å; W454-H514 HydrophobicContact CZ3-CB 4.22Å; W454-H514 PolarHBondContact N-O 3.21Å; W454-H514 AromaticContact NE1-CD2 3.87Å; W454-H514 PolarHBondContact O-N 3.44Å; W454-I516 HydrophobicContact CH2-CB 4.12Å; W454-I516 HydrophobicContact CH2-CD1 3.17Å; W454-I516 HydrophobicContact CH2-CG1 3.42Å; W454-I516 VanDerWaalsContact CH2-CG1 3.42Å; W454-I516 HydrophobicContact CZ2-CD1 4.09Å; W454-I516 HydrophobicContact CZ3-CB 3.83Å; W454-I516 HydrophobicContact CZ3-CD1 3.56Å; W454-I516 HydrophobicContact CZ3-CG1 3.67Å
455T71.4Confident61Low21 Ų2167.7 Ų67.713%0.12936%0.364CS..EExtended strand (participates in β ladder)trans-118.6151.6173.848.10000111P436 T437 R439 K512 E513P436-T455 CarbonylContact C-O 3.57Å; P436-T455 VanDerWaalsContact CA-O 3.27Å; P436-T455 WeakPolarHBondContact CA-O 3.35Å; P436-T455 VanDerWaalsContact CB-O 3.29Å; P436-T455 WeakPolarHBondContact CB-O 3.45Å; T437-T455 PolarHBondContact N-O 2.77Å; T437-T455 PolarHBondContact O-N 3.12Å; R439-T455 HydrophobicContact CG-CG2 4.26Å; T455-K512 WeakPolarHBondContact CA-O 3.47Å; T455-E513 HydrophobicContact CG2-CG 3.9Å
456S69.2Low60.6Low15 Ų1565.7 Ų65.711%0.10534%0.341CS..  trans-126.5118.6169.2-171.60000108.1D458 Y465 K512S456-D458 VanDerWaalsContact C-N 3.25Å; S456-Y465 WeakPolarHBondContact CB-OH 3.49Å; S456-Y465 PolarHBondContact OG-OH 3.34Å; S456-K512 PolarHBondContact N-O 3.09Å
457D63Low60.3Low136 Ų13664.6 Ų64.673%0.72733%0.33SS*.  trans-91.810.3178.7-62.1-38.5000112.1
458D60.3Low60.5Low35 Ų3557.7 Ų57.719%0.18731%0.306CS..  trans-80.3142-174.9-148.3-53.8000112.1P433 N434 S456 F460P433-D458 WeakPolarHBondContact CA-OD2 3.27Å; P433-D458 HydrophobicContact CB-CB 4.13Å; P433-D458 WeakPolarHBondContact CB-OD2 3.41Å; N434-D458 PolarHBondContact N-OD2 3.4Å; S456-D458 VanDerWaalsContact C-N 3.25Å; D458-F460 VanDerWaalsContact C-N 3.27Å; D458-F460 WeakPolarHBondContact OD1-CD2 3.25Å; D458-F460 WeakPolarHBondContact OD1-CG 3.06Å; D458-F460 PolarHBondContact OD1-N 2.9Å
459E56.1Low60.2Low197 Ų19756.9 Ų56.992%0.92130%0.297SS*.SBendtrans-77.8-15.5175.8-67.2-171164.700112
460F57Low60Low123 Ų12356 Ų5654%0.53929%0.292SS..SBendtrans-77.4140.1178.9-60.7-60.2000112.6P433 D458 V462P433-F460 HydrophobicContact CB-CB 4.2Å; P433-F460 HydrophobicContact CB-CD2 4.09Å; P433-F460 HydrophobicContact CG-CB 3.64Å; P433-F460 HydrophobicContact CG-CD2 3.92Å; P433-F460 HydrophobicContact CG-CG 4.11Å; D458-F460 VanDerWaalsContact C-N 3.27Å; D458-F460 WeakPolarHBondContact OD1-CD2 3.25Å; D458-F460 WeakPolarHBondContact OD1-CG 3.06Å; D458-F460 PolarHBondContact OD1-N 2.9Å; F460-V462 PolarHBondContact O-N 3.01Å; F460-V462 VanDerWaalsContact O-N 3.1Å
461S55.3Low59.5Low109 Ų10956.1 Ų56.176%0.76229%0.293SS*.  trans-73.6101.1171.959.30000110.9
462V56.5Low58.8Low28 Ų2858.1 Ų58.117%0.1730%0.3CS..  trans-78.2127.4177.2-1770000110.9P433 F460 S464 Y465 T534P433-V462 HydrophobicContact CB-CG2 4.01Å; P433-V462 HydrophobicContact CG-CG2 4.01Å; F460-V462 PolarHBondContact O-N 3.01Å; F460-V462 VanDerWaalsContact O-N 3.1Å; V462-S464 WeakPolarHBondContact CG1-O 3.35Å; V462-Y465 HydrophobicContact CB-CE1 4.27Å; V462-Y465 HydrophobicContact CB-CE2 4.17Å; V462-Y465 HydrophobicContact CG1-CD1 4.15Å; V462-Y465 HydrophobicContact CG1-CD2 4.34Å; V462-Y465 HydrophobicContact CG1-CE1 3.77Å; V462-Y465 HydrophobicContact CG1-CE2 3.95Å; V462-Y465 HydrophobicContact CG1-CG 4.43Å; V462-Y465 HydrophobicContact CG2-CE1 4.21Å; V462-Y465 WeakPolarHBondContact CG2-OH 3.38Å; V462-T534 HydrophobicContact CG1-CG2 3.71Å; V462-T534 HydrophobicContact CG2-CG2 4.14Å
463V52.9Low57.8Low91 Ų9159.9 Ų59.955%0.55231%0.311SS*.SBendtrans-77.2-36-179.4-179.30000112
464S54.2Low56.8Low38 Ų3861.9 Ų61.927%0.26635%0.345SS..EExtended strand (participates in β ladder)trans-161.8148.4-18054.20000112.5V462 L535V462-S464 WeakPolarHBondContact CG1-O 3.35Å; S464-L535 PolarHBondContact O-N 2.88Å
465Y57.3Low55.1Low57 Ų5768.7 Ų68.722%0.22438%0.378CS..EExtended strand (participates in β ladder)trans-108.4145.7168.3-61.4-81.2000109.9P436 W454 S456 V462 T534P436-Y465 HydrophobicContact CB-CD1 4.21Å; P436-Y465 HydrophobicContact CB-CE1 3.92Å; P436-Y465 HydrophobicContact CG-CD1 3.51Å; P436-Y465 HydrophobicContact CG-CE1 3.7Å; P436-Y465 HydrophobicContact CG-CG 4.36Å; W454-Y465 AromaticContact NE1-CD2 3.85Å; S456-Y465 WeakPolarHBondContact CB-OH 3.49Å; S456-Y465 PolarHBondContact OG-OH 3.34Å; V462-Y465 HydrophobicContact CB-CE1 4.27Å; V462-Y465 HydrophobicContact CB-CE2 4.17Å; V462-Y465 HydrophobicContact CG1-CD1 4.15Å; V462-Y465 HydrophobicContact CG1-CD2 4.34Å; V462-Y465 HydrophobicContact CG1-CE1 3.77Å; V462-Y465 HydrophobicContact CG1-CE2 3.95Å; V462-Y465 HydrophobicContact CG1-CG 4.43Å; V462-Y465 HydrophobicContact CG2-CE1 4.21Å; V462-Y465 WeakPolarHBondContact CG2-OH 3.38Å; Y465-T534 HydrophobicContact CD1-CG2 4.31Å; Y465-T534 HydrophobicContact CE1-CG2 4.16Å
466E54.3Low53.5Low40 Ų4072.8 Ų72.819%0.18741%0.414CS..EExtended strand (participates in β ladder)trans-114117.5173.7-171.5-179.217100109.1T533 L535E466-T533 PolarHBondContact N-O 3.35Å; E466-T533 PolarHBondContact O-N 2.82Å; E466-T533 PolarHBondContact O-OG1 3.31Å; E466-L535 HydrophobicContact CB-CD1 4.08Å; E466-L535 WeakPolarHBondContact OE2-CD1 3.4Å
467L59.1Low52.1Low36 Ų3677.9 Ų77.919%0.18844%0.439CS..EExtended strand (participates in β ladder)trans-94.4116.6177-177.667.7000109.6I438 V452 I516 I518 C532I438-L467 HydrophobicContact CD1-CD1 4.44Å; V452-L467 HydrophobicContact CB-CD2 4.43Å; V452-L467 HydrophobicContact CG2-CD2 4.18Å; L467-I516 HydrophobicContact CD2-CG2 4.45Å; L467-I518 HydrophobicContact CD2-CD1 4.06Å; L467-C532 HydrophobicContact CD1-CB 3.88Å
468Q54.7Low50.8Low72 Ų7275.6 Ų75.634%0.33643%0.43SS..EExtended strand (participates in β ladder)trans-97.2138.3172-64.7179.3-0.400109.5T531Q468-T531 CarbonylContact C-O 3.57Å; Q468-T531 WeakPolarHBondContact CA-O 3.32Å; Q468-T531 WeakPolarHBondContact CB-O 3.49Å; Q468-T531 WeakPolarHBondContact CB-OG1 3.37Å; Q468-T531 PolarHBondContact N-O 3.44Å; Q468-T531 PolarHBondContact O-N 2.78Å; Q468-T531 PolarHBondContact O-OG1 3.31Å
469Y53.3Low49.8Very low56 Ų5676.9 Ų76.922%0.2244%0.439CS..EExtended strand (participates in β ladder)trans-139.8149.8177.666.6-89.9000111.6I471 A529Y469-I471 HydrophobicContact CD2-CD1 4.17Å; Y469-I471 HydrophobicContact CD2-CG1 3.82Å; Y469-I471 HydrophobicContact CE2-CD1 3.8Å; Y469-I471 HydrophobicContact CE2-CG1 3.91Å; Y469-A529 CarbonylContact C-O 3.55Å; Y469-A529 VanDerWaalsContact CA-O 3.23Å; Y469-A529 WeakPolarHBondContact CA-O 3.41Å
470T50.4Low48.9Very low28 Ų2870.5 Ų70.517%0.17242%0.416CS..EExtended strand (participates in β ladder)trans-125.3129.1177.6-57.60000109.4F472 V478 I528 A529T470-F472 HydrophobicContact CG2-CE1 4.41Å; T470-F472 HydrophobicContact CG2-CE2 4.04Å; T470-F472 HydrophobicContact CG2-CZ 3.97Å; T470-V478 HydrophobicContact CG2-CG1 3.64Å; T470-I528 WeakPolarHBondContact O-CA 3.47Å; T470-A529 PolarHBondContact N-O 3.41Å; T470-A529 PolarHBondContact O-N 3.28Å
471I52Low48Very low21 Ų2168.7 Ų68.711%0.10841%0.409CS..EExtended strand (participates in β ladder)trans-102.8116.2-179.4-49.6-167.1000109.6Y469 T473 L520 L523 K526 I528Y469-I471 HydrophobicContact CD2-CD1 4.17Å; Y469-I471 HydrophobicContact CD2-CG1 3.82Å; Y469-I471 HydrophobicContact CE2-CD1 3.8Å; Y469-I471 HydrophobicContact CE2-CG1 3.91Å; I471-T473 HydrophobicContact CG2-CG2 4.39Å; I471-L520 HydrophobicContact CD1-CD2 4.4Å; I471-L523 HydrophobicContact CD1-CD1 3.4Å; I471-L523 VanDerWaalsContact CD1-CD1 3.4Å; I471-K526 HydrophobicContact CG2-CB 3.82Å; I471-K526 HydrophobicContact CG2-CD 3.69Å; I471-K526 HydrophobicContact CG2-CG 4.4Å; I471-I528 HydrophobicContact CB-CG1 4.48Å; I471-I528 HydrophobicContact CD1-CD1 4.34Å; I471-I528 HydrophobicContact CG1-CD1 4.38Å; I471-I528 HydrophobicContact CG1-CG1 4.16Å; I471-I528 HydrophobicContact CG2-CG1 4.19Å
472F49.2Very low47.1Very low53 Ų5369.7 Ų69.723%0.23240%0.397CS..EExtended strand (participates in β ladder)trans-90.6111.3177.9-67.4-82000110.8I290 T470 V478 K526 V527 A529I290-F472 HydrophobicContact CG2-CE1 4.39Å; T470-F472 HydrophobicContact CG2-CE1 4.41Å; T470-F472 HydrophobicContact CG2-CE2 4.04Å; T470-F472 HydrophobicContact CG2-CZ 3.97Å; F472-V478 HydrophobicContact CD1-CG2 4.33Å; F472-V478 HydrophobicContact CE1-CG2 4.21Å; F472-K526 WeakPolarHBondContact O-CB 3.42Å; F472-V527 HydrophobicContact CB-CB 4.32Å; F472-V527 WeakPolarHBondContact CB-O 3.39Å; F472-V527 PolarHBondContact N-O 3.27Å; F472-V527 PolarHBondContact O-N 3.19Å; F472-A529 HydrophobicContact CE2-CB 3.86Å
473T47.8Very low46Very low38 Ų3874.2 Ų74.223%0.23342%0.42CS..  trans-98.121.9-172.4820000114.4I471 Q475 K526I471-T473 HydrophobicContact CG2-CG2 4.39Å; T473-Q475 PolarHBondContact O-N 2.99Å; T473-K526 HydrophobicContact CG2-CD 3.72Å; T473-K526 VanDerWaalsContact CG2-NZ 3.26Å
474G44.3Very low44.6Very low90 Ų9076.2 Ų76.293%0.92843%0.425SS*.SBendtrans61.8-23.4175.300000117.8
475Q37.9Very low43.2Very low159 Ų15978.8 Ų78.874%0.74345%0.449SS*.SBendtrans-94.1150.1166.4-66-177.7-22.700107.8T473 N477T473-Q475 PolarHBondContact O-N 2.99Å; Q475-N477 PolarHBondContact O-N 3.13Å
476A38.8Very low41.6Very low107 Ų10787.1 Ų87.188%0.88448%0.482SS*.SBendtrans-62.417.7-166.100000117.6
477N40.7Very low40.3Very low121 Ų12192.7 Ų92.765%0.64751%0.512SS*.  trans-109.9101.1178.5-66.8-17.3000110Q475Q475-N477 PolarHBondContact O-N 3.13Å
478V35.4Very low38.6Very low88 Ų88100.8 Ų100.853%0.53355%0.546SS..  trans-78.3116.5166.7179.20000107.2T470 F472T470-V478 HydrophobicContact CG2-CG1 3.64Å; F472-V478 HydrophobicContact CD1-CG2 4.33Å; F472-V478 HydrophobicContact CE1-CG2 4.21Å
479V39.1Very low37.3Very low63 Ų63104.6 Ų104.638%0.38257%0.568SS.*EExtended strand (participates in β ladder)trans-93.5105.8166.9-1740000106.4E481V479-E481 HydrophobicContact CG1-CG 3.89Å
480S36.5Very low36Very low62 Ų62107.1 Ų107.143%0.43459%0.593SS.*EExtended strand (participates in β ladder)trans-98.9109.2167.9177.20000106.2
481E39.2Very low34.8Very low85 Ų85112.9 Ų112.940%0.39762%0.622SS.*  trans-91.6121.1175.8-69.5-162.6157.100109.8V479V479-E481 HydrophobicContact CG1-CG 3.89Å
482Y35.2Very low33.8Very low130 Ų130118.5 Ų118.551%0.5166%0.657SS.*  trans-91.5114.7170.1-77-94.5000108.2L297 V301 M484L297-Y482 WeakPolarHBondContact CD2-OH 3.34Å; V301-Y482 HydrophobicContact CG2-CE1 4.46Å; Y482-M484 PolarHBondContact O-N 2.82Å; Y482-M484 VanDerWaalsContact O-N 3.1Å
483L32.8Very low32.8Very low124 Ų124120.7 Ų120.765%0.64969%0.685SS**  trans-87.375.8179.4-133117.8000110.5
484M24.8Very low31.8Very low132 Ų132127.4 Ų127.465%0.6571%0.711SS**  trans-114.8108.1169-84.2-72.6-172.200109.7Y482 Y486Y482-M484 PolarHBondContact O-N 2.82Å; Y482-M484 VanDerWaalsContact O-N 3.1Å; M484-Y486 PolarHBondContact O-N 3.07Å
485A24.5Very low30.9Very low93 Ų93129 Ų12977%0.76969%0.693SS**  trans-76.3112.4176.700000111
486Y24.6Very low30.4Very low232 Ų232133.9 Ų133.991%0.9171%0.705SS**  trans-142.6122.7146-88.9-79.7000109.1M484M484-Y486 PolarHBondContact O-N 3.07Å
487L26.3Very low30Very low156 Ų156135 Ų13582%0.81770%0.695SS**  trans-59.6131.9174.9-82.9143.4000111
488F24Very low29.6Very low207 Ų207133.2 Ų133.291%0.90868%0.684SS**  -160.9134.5128.3-109.9-78.9000110.3
489L25.7Very low29.2Very low152 Ų152132.2 Ų132.280%0.79669%0.686SS**  trans-63134.8-175.6-77.983000113.1
490S25.9Very low28.7Very low108 Ų108138.3 Ų138.376%0.75571%0.707SS**  164.6148114.555.10000112.9
491L26.1Very low28.5Very low149 Ų149138.8 Ų138.878%0.7871%0.705SS**  trans98.853164.8-62.1155.3000120.5A493L491-A493 VanDerWaalsContact C-N 3.33Å; L491-A493 PolarHBondContact O-N 3.3Å
492V30.6Very low27.9Very low140 Ų140141.2 Ų141.285%0.84872%0.72SS**THydrogen-bonded Turn39.2-13.5120.6-175.80000124
493A28Very low27.8Very low98 Ų98139.1 Ų139.181%0.8172%0.718SS**THydrogen-bonded Turntrans-111.6-10.9-175.400000116.8L491L491-A493 VanDerWaalsContact C-N 3.33Å; L491-A493 PolarHBondContact O-N 3.3Å
494F28.1Very low27.7Very low180 Ų180140.3 Ų140.379%0.78973%0.725SS**SBendtrans-105.5-0.7-178.9-130.9-100.7000113.7R496F494-R496 PolarHBondContact O-N 2.88Å
495F24.7Very low28.3Very low123 Ų123141.8 Ų141.854%0.53973%0.728SS.*THydrogen-bonded Turntrans-90.18.5-163.6-98.4-87.2000116.3L497 I498F495-L497 VanDerWaalsContact C-N 3.25Å; F495-L497 PolarHBondContact O-N 2.81Å; F495-I498 HydrophobicContact CD1-CB 3.64Å; F495-I498 HydrophobicContact CD1-CD1 4.35Å; F495-I498 HydrophobicContact CD1-CG2 3.93Å; F495-I498 HydrophobicContact CE1-CB 3.79Å; F495-I498 HydrophobicContact CE1-CD1 4.17Å; F495-I498 HydrophobicContact CE1-CG2 3.56Å; F495-I498 HydrophobicContact CE2-CD1 4.49Å; F495-I498 HydrophobicContact CG-CB 4.41Å; F495-I498 HydrophobicContact CZ-CD1 4.24Å; F495-I498 HydrophobicContact CZ-CG2 4.41Å
496R26.5Very low28.7Very low262 Ų262146.5 Ų146.599%0.98973%0.731SS**THydrogen-bonded Turntrans-80.3-3.2170.2-87.6-168.7176.6179.30.2114.4F494F494-R496 PolarHBondContact O-N 2.88Å
497L32.3Very low29.2Very low131 Ų131137.6 Ų137.669%0.68671%0.71SS**SBendtrans-106.1-11.2169.7-147.276.6000113F495F495-L497 VanDerWaalsContact C-N 3.25Å; F495-L497 PolarHBondContact O-N 2.81Å
498I30.6Very low29.6Very low82 Ų82139.9 Ų139.942%0.42171%0.707SS.*SBendtrans-111.666.4-176.2-51.1172.4000107.8F495F495-I498 HydrophobicContact CD1-CB 3.64Å; F495-I498 HydrophobicContact CD1-CD1 4.35Å; F495-I498 HydrophobicContact CD1-CG2 3.93Å; F495-I498 HydrophobicContact CE1-CB 3.79Å; F495-I498 HydrophobicContact CE1-CD1 4.17Å; F495-I498 HydrophobicContact CE1-CG2 3.56Å; F495-I498 HydrophobicContact CE2-CD1 4.49Å; F495-I498 HydrophobicContact CG-CB 4.41Å; F495-I498 HydrophobicContact CZ-CD1 4.24Å; F495-I498 HydrophobicContact CZ-CG2 4.41Å
499A26.9Very low30.3Very low68 Ų68138.7 Ų138.756%0.56271%0.705SS**  trans-151.4121.4168.800000109.2
500F29.9Very low31Very low191 Ų191135.5 Ų135.584%0.83871%0.709SS**  trans76.586.2172.1-76.2-94000117.5
501L31.1Very low31.9Very low71 Ų71138.7 Ų138.737%0.37270%0.704SS.*  -152.983.1116.6-97.8168.7000108.7L503 I518 D519L501-L503 VanDerWaalsContact C-N 3.33Å; L501-L503 HydrophobicContact CD2-CD1 3.8Å; L501-L503 HydrophobicContact CD2-CG 4.1Å; L501-L503 PolarHBondContact O-N 3.38Å; L501-L503 VanDerWaalsContact O-N 3.15Å; L501-I518 HydrophobicContact CD1-CG2 4.14Å; L501-D519 HydrophobicContact CD1-CB 4.12Å; L501-D519 WeakPolarHBondContact CD1-O 3.19Å; L501-D519 HydrophobicContact CD2-CB 4.25Å
502N28.5Very low32.9Very low137 Ų137139 Ų13973%0.73370%0.699SS**  trans-82.681.7171.7-153.1-16.3000107.7
503L33Very low33.7Very low86 Ų86138.1 Ų138.145%0.4569%0.686SS.*  trans-103.175.1171.8-75.1169.2000109.3L501 F505 F517L501-L503 VanDerWaalsContact C-N 3.33Å; L501-L503 HydrophobicContact CD2-CD1 3.8Å; L501-L503 HydrophobicContact CD2-CG 4.1Å; L501-L503 PolarHBondContact O-N 3.38Å; L501-L503 VanDerWaalsContact O-N 3.15Å; L503-F505 HydrophobicContact CB-CD2 4.19Å; L503-F505 HydrophobicContact CD2-CD2 3.53Å; L503-F505 HydrophobicContact CD2-CE2 3.41Å; L503-F505 VanDerWaalsContact CD2-CE2 3.41Å; L503-F505 HydrophobicContact CG-CD2 4.47Å; L503-F505 PolarHBondContact O-N 3.38Å; L503-F505 VanDerWaalsContact O-N 3.13Å; L503-F517 WeakPolarHBondContact CD1-O 3.43Å
504N29.9Very low35.2Very low149 Ų149135 Ų13580%0.79765%0.654SS**  trans-71.795.4158.5-110.5-53.8000107.5
505F36.3Very low36Very low163 Ų163129.4 Ų129.472%0.71564%0.635SS**  trans-119.2110.2174.9-93.5-87.2000112.2L503 G507L503-F505 HydrophobicContact CB-CD2 4.19Å; L503-F505 HydrophobicContact CD2-CD2 3.53Å; L503-F505 HydrophobicContact CD2-CE2 3.41Å; L503-F505 VanDerWaalsContact CD2-CE2 3.41Å; L503-F505 HydrophobicContact CG-CD2 4.47Å; L503-F505 PolarHBondContact O-N 3.38Å; L503-F505 VanDerWaalsContact O-N 3.13Å; F505-G507 PolarHBondContact O-N 3.37Å
506K33.6Very low37.4Very low192 Ų192125.9 Ų125.984%0.83562%0.621SS**  trans-66.4110.8160.1-77.7176.9174.31780108R508K506-R508 PolarHBondContact O-N 3.03Å
507G35.6Very low38.2Very low45 Ų45119.8 Ų119.846%0.46460%0.603SS.*PPolyproline II helixtrans-55.9134.9160.900000109.1F505 Q509F505-G507 PolarHBondContact O-N 3.37Å; G507-Q509 PolarHBondContact O-N 3.22Å
508R35.3Very low39.2Very low203 Ų203114.1 Ų114.177%0.76657%0.573SS**PPolyproline II helixtrans-62.2131.4172.3-79.1-175.4180-178.80.7108.7K506 G510K506-R508 PolarHBondContact O-N 3.03Å; R508-G510 PolarHBondContact O-N 3.21Å
509Q38.1Very low40Very low182 Ų182113.8 Ų113.885%0.8557%0.572SS**THydrogen-bonded Turntrans-46.3130.4172.3-102.1173.1-29.200111G507G507-Q509 PolarHBondContact O-N 3.22Å
510G39.6Very low41.2Very low86 Ų86111.4 Ų111.489%0.88755%0.549SS*.THydrogen-bonded Turntrans94.512.1161.500000118.4R508R508-G510 PolarHBondContact O-N 3.21Å
511R44.6Very low41.9Very low174 Ų174105.4 Ų105.466%0.65753%0.531SS*.  trans-102.4135.6167.9-71.4-171.2-172.7-176.30.4110.5E513 H514R511-E513 VanDerWaalsContact C-N 3.28Å; R511-H514 PolarHBondContact O-NE2 3.43Å
512K48.5Very low42.5Very low156 Ų156110.8 Ų110.868%0.67855%0.552SS**SBendtrans-79.3-10.9177.6-65.9-169.5174.3-167.20113.7T455 S456T455-K512 WeakPolarHBondContact CA-O 3.47Å; S456-K512 PolarHBondContact N-O 3.09Å
513E46.3Very low43.3Very low121 Ų121106.4 Ų106.457%0.56553%0.528SS*.EExtended strand (participates in β ladder)trans-124.8133.8-179.8-70.1-175.315900110.2R439 T455 R511R439-E513 IonicContact NH1-OE1 3.27Å; R439-E513 PolarHBondContact NH1-OE1 2.77Å; T455-E513 HydrophobicContact CG2-CG 3.9Å; R511-E513 VanDerWaalsContact C-N 3.28Å
514H59.2Low43.8Very low32 Ų32109.7 Ų109.715%0.14855%0.547CS..EExtended strand (participates in β ladder)trans-137.2153.4-179-66.2-77.1000111.6H453 W454 R511H453-H514 WeakPolarHBondContact CA-O 3.36Å; W454-H514 HydrophobicContact CD2-CB 3.97Å; W454-H514 HydrophobicContact CE3-CB 4.39Å; W454-H514 HydrophobicContact CH2-CB 3.62Å; W454-H514 HydrophobicContact CZ2-CB 3.2Å; W454-H514 AromaticContact CZ2-CG 3.98Å; W454-H514 HydrophobicContact CZ3-CB 4.22Å; W454-H514 PolarHBondContact N-O 3.21Å; W454-H514 AromaticContact NE1-CD2 3.87Å; W454-H514 PolarHBondContact O-N 3.44Å; R511-H514 PolarHBondContact O-NE2 3.43Å
515T44.8Very low44.4Very low63 Ų63111.9 Ų111.939%0.38755%0.549SS..EExtended strand (participates in β ladder)trans-137.6132.5-175.8-53.80000110.1T451 V452 H453 F517T451-T515 HydrophobicContact CG2-CG2 3.23Å; V452-T515 WeakPolarHBondContact O-CA 3.37Å; H453-T515 PolarHBondContact CE1-OG1 3.48Å; H453-T515 PolarHBondContact ND1-OG1 3.47Å; H453-T515 VanDerWaalsContact ND1-OG1 3.11Å; T515-F517 HydrophobicContact CG2-CE2 4.18Å; T515-F517 HydrophobicContact CG2-CZ 4.19Å
516I54.4Low45Very low49 Ų49107.9 Ų107.925%0.25153%0.531SS..EExtended strand (participates in β ladder)trans-122.1138.2172.6-82160.3000109.3T451 V452 W454 L467 I518T451-I516 CarbonylContact C-O 3.55Å; T451-I516 VanDerWaalsContact CA-O 3.3Å; T451-I516 WeakPolarHBondContact CA-O 3.41Å; V452-I516 PolarHBondContact N-O 3.43Å; V452-I516 PolarHBondContact O-N 3.16Å; W454-I516 HydrophobicContact CH2-CB 4.12Å; W454-I516 HydrophobicContact CH2-CD1 3.17Å; W454-I516 HydrophobicContact CH2-CG1 3.42Å; W454-I516 VanDerWaalsContact CH2-CG1 3.42Å; W454-I516 HydrophobicContact CZ2-CD1 4.09Å; W454-I516 HydrophobicContact CZ3-CB 3.83Å; W454-I516 HydrophobicContact CZ3-CD1 3.56Å; W454-I516 HydrophobicContact CZ3-CG1 3.67Å; L467-I516 HydrophobicContact CD2-CG2 4.45Å; I516-I518 HydrophobicContact CG2-CG1 3.95Å
517F43.5Very low45.3Very low135 Ų135103.9 Ų103.959%0.59252%0.522SS*.EExtended strand (participates in β ladder)trans-102.5128.3172.1-62.6-84.7000109.6T451 L503 T515T451-F517 HydrophobicContact CG2-CD1 3.95Å; T451-F517 HydrophobicContact CG2-CE1 3.68Å; T451-F517 HydrophobicContact CG2-CZ 4.16Å; T451-F517 WeakPolarHBondContact OG1-CD1 3.18Å; T451-F517 WeakPolarHBondContact OG1-CE1 3.46Å; L503-F517 WeakPolarHBondContact CD1-O 3.43Å; T515-F517 HydrophobicContact CG2-CE2 4.18Å; T515-F517 HydrophobicContact CG2-CZ 4.19Å
518I54.1Low45.8Very low11 Ų11103.4 Ų103.46%0.05651%0.509CS..EExtended strand (participates in β ladder)trans-116118.6177-54176.9000107.2T449 I450 V452 L467 L501 I516 L520 L530T449-I518 CarbonylContact C-O 3.49Å; T449-I518 WeakPolarHBondContact CA-O 3.42Å; I450-I518 HydrophobicContact CB-CB 4.43Å; I450-I518 PolarHBondContact N-O 2.88Å; I450-I518 PolarHBondContact O-N 3.4Å; V452-I518 HydrophobicContact CG2-CD1 4.12Å; L467-I518 HydrophobicContact CD2-CD1 4.06Å; L501-I518 HydrophobicContact CD1-CG2 4.14Å; I516-I518 HydrophobicContact CG2-CG1 3.95Å; I518-L520 HydrophobicContact CG2-CD2 4.02Å; I518-L520 HydrophobicContact CG2-CG 4.45Å; I518-L530 HydrophobicContact CD1-CD2 4.3Å
519D45.9Very low45.9Very low76 Ų7695.8 Ų95.841%0.40649%0.49SS..EExtended strand (participates in β ladder)trans-81.9132.2174-170.3-11.8000110.9D448 L501 S521D448-D519 CarbonylContact O-C 3.59Å; D448-D519 WeakPolarHBondContact O-CA 3.47Å; D448-D519 VanDerWaalsContact O-OD1 3.12Å; L501-D519 HydrophobicContact CD1-CB 4.12Å; L501-D519 WeakPolarHBondContact CD1-O 3.19Å; L501-D519 HydrophobicContact CD2-CB 4.25Å; D519-S521 VanDerWaalsContact OD1-CB 3.3Å; D519-S521 WeakPolarHBondContact OD1-CB 3.31Å; D519-S521 PolarHBondContact OD1-N 3.23Å; D519-S521 PolarHBondContact OD1-OG 3.38Å; D519-S521 PolarHBondContact OD2-OG 3.19Å
520L53Low46.1Very low17 Ų1789.3 Ų89.39%0.08946%0.461CS..  trans-129.315-173.2-59175.4000111.3D448 I450 I471 I518 F522 L523 I528D448-L520 WeakPolarHBondContact O-CA 3.35Å; D448-L520 PolarHBondContact O-N 3.37Å; I450-L520 HydrophobicContact CB-CD1 4.28Å; I450-L520 HydrophobicContact CD1-CD1 3.62Å; I450-L520 HydrophobicContact CG1-CD1 3.54Å; I471-L520 HydrophobicContact CD1-CD2 4.4Å; I518-L520 HydrophobicContact CG2-CD2 4.02Å; I518-L520 HydrophobicContact CG2-CG 4.45Å; L520-F522 PolarHBondContact O-N 3.02Å; L520-L523 HydrophobicContact CB-CD1 4.46Å; L520-L523 HydrophobicContact CD2-CD1 3.66Å; L520-L523 PolarHBondContact O-N 3.48Å; L520-I528 HydrophobicContact CD1-CD1 3.44Å; L520-I528 VanDerWaalsContact CD1-CD1 3.44Å; L520-I528 HydrophobicContact CD2-CD1 3.67Å; L520-I528 HydrophobicContact CG-CD1 4.23Å
521S43.8Very low46Very low66 Ų6688.9 Ų88.946%0.46244%0.441SS..THydrogen-bonded Turntrans-54.5-12.2-178.340.50000114.8D519D519-S521 VanDerWaalsContact OD1-CB 3.3Å; D519-S521 WeakPolarHBondContact OD1-CB 3.31Å; D519-S521 PolarHBondContact OD1-N 3.23Å; D519-S521 PolarHBondContact OD1-OG 3.38Å; D519-S521 PolarHBondContact OD2-OG 3.19Å
522F43.5Very low45.8Very low184 Ų18481.3 Ų81.381%0.80741%0.414SS*.THydrogen-bonded Turntrans-95.90.1173.9-63.1-81.9000115.5L520L520-F522 PolarHBondContact O-N 3.02Å
523L45.6Very low45.4Very low44 Ų4476.3 Ų76.323%0.2340%0.397CS..  trans-124.688.3-166.1-68163.6000112.2I471 L520 K525 K526I471-L523 HydrophobicContact CD1-CD1 3.4Å; I471-L523 VanDerWaalsContact CD1-CD1 3.4Å; L520-L523 HydrophobicContact CB-CD1 4.46Å; L520-L523 HydrophobicContact CD2-CD1 3.66Å; L520-L523 PolarHBondContact O-N 3.48Å; L523-K525 PolarHBondContact O-N 2.73Å; L523-K526 HydrophobicContact CB-CD 4.28Å; L523-K526 HydrophobicContact CD2-CD 3.8Å
524N43.6Very low45.2Very low156 Ų15671.9 Ų71.983%0.83438%0.378SS*.SBendtrans-62.8107174.5-94.9-32.3000112.4
525K42.3Very low44.2Very low194 Ų19473.3 Ų73.384%0.84339%0.386SS*.SBendtrans50.583.1167.6-65.6-173.8178.3-178.10115.4L523L523-K525 PolarHBondContact O-N 2.73Å
526K49.1Very low43.9Very low80 Ų8073.6 Ų73.635%0.34839%0.388SS..  trans-134.9150.8-179.1-64.3177.8177.8-175.70112I471 F472 T473 L523I471-K526 HydrophobicContact CG2-CB 3.82Å; I471-K526 HydrophobicContact CG2-CD 3.69Å; I471-K526 HydrophobicContact CG2-CG 4.4Å; F472-K526 WeakPolarHBondContact O-CB 3.42Å; T473-K526 HydrophobicContact CG2-CD 3.72Å; T473-K526 VanDerWaalsContact CG2-NZ 3.26Å; L523-K526 HydrophobicContact CB-CD 4.28Å; L523-K526 HydrophobicContact CD2-CD 3.8Å
527V40.5Very low43Very low107 Ų10778.3 Ų78.365%0.64841%0.407SS*.EExtended strand (participates in β ladder)trans-86.7131.9175.8177.90000108.5F472F472-V527 HydrophobicContact CB-CB 4.32Å; F472-V527 WeakPolarHBondContact CB-O 3.39Å; F472-V527 PolarHBondContact N-O 3.27Å; F472-V527 PolarHBondContact O-N 3.19Å
528I46.2Very low42.5Very low36 Ų3677 Ų7719%0.18541%0.41CS..EExtended strand (participates in β ladder)trans-117.6125.3-177.7-64.9174.9000108.7I450 T470 I471 L520 L530I450-I528 HydrophobicContact CD1-CB 3.86Å; I450-I528 HydrophobicContact CD1-CD1 3.37Å; I450-I528 HydrophobicContact CD1-CG1 4.07Å; I450-I528 HydrophobicContact CD1-CG2 4.14Å; T470-I528 WeakPolarHBondContact O-CA 3.47Å; I471-I528 HydrophobicContact CB-CG1 4.48Å; I471-I528 HydrophobicContact CD1-CD1 4.34Å; I471-I528 HydrophobicContact CG1-CD1 4.38Å; I471-I528 HydrophobicContact CG1-CG1 4.16Å; I471-I528 HydrophobicContact CG2-CG1 4.19Å; L520-I528 HydrophobicContact CD1-CD1 3.44Å; L520-I528 VanDerWaalsContact CD1-CD1 3.44Å; L520-I528 HydrophobicContact CD2-CD1 3.67Å; L520-I528 HydrophobicContact CG-CD1 4.23Å; I528-L530 HydrophobicContact CG2-CD2 3.89Å; I528-L530 HydrophobicContact CG2-CG 4.23Å
529A38.1Very low41.3Very low43 Ų4381.1 Ų81.136%0.35545%0.446SS..EExtended strand (participates in β ladder)trans-99135.9169.400000109.2Y469 T470 F472Y469-A529 CarbonylContact C-O 3.55Å; Y469-A529 VanDerWaalsContact CA-O 3.23Å; Y469-A529 WeakPolarHBondContact CA-O 3.41Å; T470-A529 PolarHBondContact N-O 3.41Å; T470-A529 PolarHBondContact O-N 3.28Å; F472-A529 HydrophobicContact CE2-CB 3.86Å
530L41Very low40.4Very low46 Ų4684.6 Ų84.624%0.24150%0.499CS..EExtended strand (participates in β ladder)trans-119.6135.8-176.5-61.2168.5000109.6I438 I450 V452 I518 I528I438-L530 HydrophobicContact CD1-CB 4.08Å; I450-L530 HydrophobicContact CG2-CD1 4.42Å; V452-L530 HydrophobicContact CB-CD1 4.39Å; V452-L530 HydrophobicContact CG1-CD1 4.06Å; V452-L530 HydrophobicContact CG2-CD1 3.43Å; V452-L530 VanDerWaalsContact CG2-CD1 3.43Å; V452-L530 HydrophobicContact CG2-CD2 4.25Å; V452-L530 HydrophobicContact CG2-CG 4.47Å; I518-L530 HydrophobicContact CD1-CD2 4.3Å; I528-L530 HydrophobicContact CG2-CD2 3.89Å; I528-L530 HydrophobicContact CG2-CG 4.23Å
531T37.9Very low39.8Very low77 Ų7788 Ų8847%0.47252%0.52SS..EExtended strand (participates in β ladder)trans-138.2119.6173.746.80000108.6Q468Q468-T531 CarbonylContact C-O 3.57Å; Q468-T531 WeakPolarHBondContact CA-O 3.32Å; Q468-T531 WeakPolarHBondContact CB-O 3.49Å; Q468-T531 WeakPolarHBondContact CB-OG1 3.37Å; Q468-T531 PolarHBondContact N-O 3.44Å; Q468-T531 PolarHBondContact O-N 2.78Å; Q468-T531 PolarHBondContact O-OG1 3.31Å
532C41.1Very low39.5Very low15 Ų1589.1 Ų89.110%0.10152%0.523CS..EExtended strand (participates in β ladder)trans-99.9132.3178.5-162.80000110.1P436 I438 L467P436-C532 HydrophobicContact CG-CB 3.96Å; P436-C532 WeakPolarHBondContact CG-SG 3.07Å; I438-C532 HydrophobicContact CD1-CB 4.16Å; I438-C532 HydrophobicContact CG1-CB 4.27Å; L467-C532 HydrophobicContact CD1-CB 3.88Å
533T39.8Very low39.3Very low51 Ų5183.8 Ų83.831%0.31351%0.507SS..EExtended strand (participates in β ladder)trans-121.4138.2179.250.70000110.7E466E466-T533 PolarHBondContact N-O 3.35Å; E466-T533 PolarHBondContact O-N 2.82Å; E466-T533 PolarHBondContact O-OG1 3.31Å
534T40.6Very low39Very low27 Ų2786.2 Ų86.217%0.16652%0.523CS..EExtended strand (participates in β ladder)trans-83.6127.6177.9-52.30000110.2P433 N434 P435 P436 V462 Y465P433-T534 HydrophobicContact CB-CG2 4.32Å; N434-T534 PolarHBondContact O-OG1 3.38Å; P435-T534 WeakPolarHBondContact CA-OG1 3.36Å; P436-T534 WeakPolarHBondContact CD-OG1 3.34Å; V462-T534 HydrophobicContact CG1-CG2 3.71Å; V462-T534 HydrophobicContact CG2-CG2 4.14Å; Y465-T534 HydrophobicContact CD1-CG2 4.31Å; Y465-T534 HydrophobicContact CE1-CG2 4.16Å
535L39.2Very low38.7Very low62 Ų6281.8 Ų81.833%0.32550%0.504SS..EExtended strand (participates in β ladder)trans-105.7111.8170.6-92.8173.8000109.8S464 E466 K537S464-L535 PolarHBondContact O-N 2.88Å; E466-L535 HydrophobicContact CB-CD1 4.08Å; E466-L535 WeakPolarHBondContact OE2-CD1 3.4Å; L535-K537 PolarHBondContact O-N 2.68Å
536V38.3Very low38.4Very low70 Ų7074.3 Ų74.342%0.42448%0.481SS..  trans-86.3101.6168.4-1710000107.9A432 P433 T538A432-V536 HydrophobicContact CB-CG2 3.93Å; P433-V536 HydrophobicContact CG-CG2 4.08Å; V536-T538 PolarHBondContact O-N 3.08Å
537K36.2Very low37.7Very low148 Ų14873.9 Ų73.964%0.64349%0.491SS*.  trans-84107.7160.8-84.1-177176.7176.70107.4L535 A539L535-K537 PolarHBondContact O-N 2.68Å; K537-A539 PolarHBondContact O-N 2.63Å; K537-A539 VanDerWaalsContact O-N 3.14Å
538T32.1Very low37.4Very low106 Ų10671.4 Ų71.465%0.6548%0.478SS*.  trans-57.1114.6163.448.10000107.3L430 V536 G540L430-T538 HydrophobicContact CD1-CG2 4.22Å; V536-T538 PolarHBondContact O-N 3.08Å; T538-G540 PolarHBondContact O-N 3.45Å
539A28.8Very low36.7Very low99 Ų9974.3 Ų74.382%0.81850%0.503SS*.  trans-61.4120.7167.200000106.7K537K537-A539 PolarHBondContact O-N 2.63Å; K537-A539 VanDerWaalsContact O-N 3.14Å
540G27.4Very low36.6Very low148 Ų14877.2 Ų77.2100%1.52652%0.516SS*.  trans-67.80171.800000111.1T538T538-G540 PolarHBondContact O-N 3.45Å

Retrieved 540 of 540 residues in 531.7 ms (Link to these results)

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