A0A077ZIM3_TRITR Loading...

RNA-binding protein NOB1

May play a role in mRNA degradation.

AlphaFold DB , UniProt , Accession A0A077ZIM3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 374 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
1M47.5Very low83.8Confident246 Ų24659.5 Ų59.5100%1.21229%0.291SS*.  0132.50-66.3-176.4-169.300107.3
2K61.9Low84.5Confident133 Ų13356 Ų5658%0.57828%0.277SS*.PPolyproline II helixtrans-63135.8178-65.8-178.8178.3-177.30108.9K4K2-K4 PolarHBondContact O-N 3.27Å
3A73.3Confident84.9Confident50 Ų5052.4 Ų52.441%0.41326%0.261SS..PPolyproline II helixtrans-62.9121.2171.800000108.4A192A3-A192 HydrophobicContact CB-CB 4.47Å
4K85.2Confident85.2Confident76 Ų7648.7 Ų48.733%0.3324%0.243SC..PPolyproline II helixtrans-83.9141178.6-67.2-169.1176.7-158.20110K2 F22 L24 E26K2-K4 PolarHBondContact O-N 3.27Å; K4-F22 PolarHBondContact NZ-O 3.13Å; K4-L24 WeakPolarHBondContact CA-O 3.3Å; K4-E26 HydrophobicContact CB-CG 4.21Å; K4-E26 HydrophobicContact CD-CG 4.23Å
5V89.5Confident85.7Confident6 Ų646.3 Ų46.34%0.03623%0.23CC..EExtended strand (participates in β ladder)trans-76137.5169179.10000109.1H7 L24 A25 E26 F193 A196 L216V5-H7 WeakPolarHBondContact CG1-O 3.4Å; V5-L24 PolarHBondContact N-O 3.11Å; V5-A25 HydrophobicContact CB-CB 4.29Å; V5-A25 CarbonylContact O-C 3.53Å; V5-A25 WeakPolarHBondContact O-CA 3.42Å; V5-A25 VanDerWaalsContact O-CB 3.26Å; V5-A25 WeakPolarHBondContact O-CB 3.24Å; V5-E26 PolarHBondContact O-N 2.91Å; V5-F193 WeakPolarHBondContact CA-O 3.47Å; V5-F193 HydrophobicContact CG1-CB 4.48Å; V5-F193 WeakPolarHBondContact CG1-O 3.11Å; V5-F193 HydrophobicContact CG2-CB 4.14Å; V5-F193 HydrophobicContact CG2-CD2 4.47Å; V5-A196 HydrophobicContact CG1-CB 3.92Å; V5-A196 HydrophobicContact CG2-CB 4.34Å; V5-L216 HydrophobicContact CG2-CD1 3.88Å
6K91.8Very high86Confident112 Ų11249.1 Ų49.149%0.48725%0.245SC..EExtended strand (participates in β ladder)trans-67.4-50.1-179.7-65.4-179.5177.6177.60111.7S27 F193 T194K6-S27 WeakPolarHBondContact O-CB 3.31Å; K6-S27 PolarHBondContact O-N 3.39Å; K6-F193 PolarHBondContact N-O 3.03Å; K6-T194 HydrophobicContact CD-CG2 4.41Å
7H94Very high86Confident27 Ų2752.8 Ų52.813%0.12526%0.26CS..EExtended strand (participates in β ladder)trans-125113.7-178.7-56.1-70.8000111V5 Y29 H98 T194 V195 A196V5-H7 WeakPolarHBondContact CG1-O 3.4Å; H7-Y29 HydrophobicContact CB-CD2 4.31Å; H7-Y29 HydrophobicContact CB-CE2 3.71Å; H7-Y29 AromaticContact CG-CE2 3.97Å; H7-Y29 AromaticContact ND1-CE2 3.49Å; H7-Y29 WeakPolarHBondContact ND1-CE2 3.42Å; H7-Y29 AromaticContact ND1-CZ 3.72Å; H7-Y29 PolarHBondContact ND1-OH 3.34Å; H7-Y29 VanDerWaalsContact ND1-OH 3.09Å; H7-H98 AromaticContact CD2-CD2 3.8Å; H7-H98 AromaticContact CD2-CE1 3.79Å; H7-H98 AromaticContact CD2-CG 3.87Å; H7-H98 AromaticContact CD2-ND1 3.87Å; H7-H98 AromaticContact CD2-NE2 3.8Å; H7-H98 AromaticContact CE1-CE1 3.62Å; H7-H98 AromaticContact CE1-NE2 3.76Å; H7-H98 AromaticContact NE2-CD2 3.98Å; H7-H98 AromaticContact NE2-CE1 3.17Å; H7-H98 PolarHBondContact NE2-CE1 3.3Å; H7-H98 AromaticContact NE2-CG 3.96Å; H7-H98 AromaticContact NE2-ND1 3.47Å; H7-H98 PolarHBondContact NE2-ND1 2.9Å; H7-H98 AromaticContact NE2-NE2 3.54Å; H7-T194 PolarHBondContact N-O 3.48Å; H7-V195 HydrophobicContact CB-CG2 4.25Å; H7-V195 WeakPolarHBondContact O-CA 3.17Å; H7-A196 PolarHBondContact O-N 2.87Å; H7-A196 VanDerWaalsContact O-N 3.08Å
8L94.2Very high85.8Confident0 Ų053.4 Ų53.40%027%0.269CS..EExtended strand (participates in β ladder)trans-114.2122.2-179.9-174.967.8000111.2V10 L21 L24 A25 S27 F28 Y29 A196 L198 L216L8-V10 HydrophobicContact CD2-CG2 4.16Å; L8-V10 HydrophobicContact CG-CG2 4.16Å; L8-L21 HydrophobicContact CD2-CD2 4.29Å; L8-L24 HydrophobicContact CD2-CB 4.16Å; L8-A25 HydrophobicContact CB-CB 3.39Å; L8-A25 HydrophobicContact CD2-CB 3.82Å; L8-A25 HydrophobicContact CG-CB 4.21Å; L8-S27 PolarHBondContact N-O 3.27Å; L8-F28 HydrophobicContact CD2-CD1 4.24Å; L8-F28 HydrophobicContact CD2-CE1 4.12Å; L8-Y29 PolarHBondContact O-N 3.24Å; L8-A196 WeakPolarHBondContact CA-O 3.4Å; L8-A196 HydrophobicContact CD1-CB 4.17Å; L8-L198 HydrophobicContact CD1-CB 4.09Å; L8-L198 HydrophobicContact CD2-CB 4.48Å; L8-L198 HydrophobicContact CG-CB 4.45Å; L8-L216 HydrophobicContact CD1-CD1 3.84Å
9V95.4Very high85.5Confident0 Ų051.5 Ų51.50%026%0.262CS..EExtended strand (participates in β ladder)trans-93.2123.7171-173.70000109.2Y29 L87 V91 L94 A196 C197 L198V9-Y29 CarbonylContact C-O 3.55Å; V9-Y29 WeakPolarHBondContact CA-O 3.29Å; V9-L87 HydrophobicContact CG1-CD1 3.72Å; V9-L87 HydrophobicContact CG1-CG 4.29Å; V9-V91 HydrophobicContact CB-CG2 3.78Å; V9-V91 HydrophobicContact CG1-CG2 3.87Å; V9-V91 HydrophobicContact CG2-CG2 3.83Å; V9-L94 HydrophobicContact CG2-CD1 3.51Å; V9-A196 PolarHBondContact N-O 3.43Å; V9-C197 CarbonylContact O-C 3.57Å; V9-C197 WeakPolarHBondContact O-CA 3.26Å; V9-L198 PolarHBondContact O-N 2.89Å
10V94.4Very high85.3Confident0 Ų055.3 Ų55.30%028%0.283CS..EExtended strand (participates in β ladder)trans-106.5120.2-174.1-173.50000110.8L8 F15 L21 F28 Y29 T30 L198L8-V10 HydrophobicContact CD2-CG2 4.16Å; L8-V10 HydrophobicContact CG-CG2 4.16Å; V10-F15 HydrophobicContact CB-CE2 4.08Å; V10-F15 HydrophobicContact CB-CZ 3.83Å; V10-F15 HydrophobicContact CG1-CD1 4.37Å; V10-F15 HydrophobicContact CG1-CD2 4.09Å; V10-F15 HydrophobicContact CG1-CE1 3.92Å; V10-F15 HydrophobicContact CG1-CE2 3.6Å; V10-F15 HydrophobicContact CG1-CG 4.46Å; V10-F15 HydrophobicContact CG1-CZ 3.51Å; V10-L21 HydrophobicContact CG1-CD1 4.15Å; V10-L21 HydrophobicContact CG1-CD2 4.17Å; V10-L21 HydrophobicContact CG2-CD1 4.33Å; V10-L21 HydrophobicContact CG2-CD2 4.01Å; V10-F28 HydrophobicContact CG2-CD1 4.38Å; V10-Y29 PolarHBondContact N-O 3.47Å; V10-T30 PolarHBondContact O-OG1 2.95Å; V10-T30 VanDerWaalsContact O-OG1 3.12Å; V10-L198 HydrophobicContact CG1-CD2 4.3Å
11D94.4Very high85.3Confident4 Ų453 Ų532%0.02127%0.271CS..  trans-77.2163.9170.4177.825.5000111.8S13 G14 F15 L87 L198 T199D11-S13 PolarHBondContact O-N 2.83Å; D11-S13 VanDerWaalsContact O-N 3.12Å; D11-S13 PolarHBondContact OD2-OG 3.05Å; D11-G14 PolarHBondContact O-N 3.34Å; D11-F15 WeakPolarHBondContact O-CD2 3.19Å; D11-L87 HydrophobicContact CB-CD2 3.85Å; D11-L198 WeakPolarHBondContact CB-O 3.43Å; D11-L198 PolarHBondContact N-O 3.31Å; D11-L198 VanDerWaalsContact N-O 3.08Å; D11-T199 PolarHBondContact OD2-OG1 2.85Å
12S92.5Very high87.1Confident18 Ų1847.1 Ų47.113%0.12624%0.239CC..Hα-helixtrans-46.3-40.9172.660.80000112.4G14 F15 I16S12-G14 VanDerWaalsContact C-N 3.27Å; S12-G14 PolarHBondContact O-N 3.03Å; S12-F15 PolarHBondContact O-N 2.92Å; S12-F15 VanDerWaalsContact O-N 3.15Å; S12-I16 VanDerWaalsContact O-CG1 3.29Å; S12-I16 WeakPolarHBondContact O-CG1 3.25Å; S12-I16 PolarHBondContact O-N 3.39Å
13S90.2Very high88.2Confident9 Ų943.5 Ų43.56%0.06323%0.23CC..Hα-helixtrans-62.8-31.1-178.456.70000113.6D11 K17 S200D11-S13 PolarHBondContact O-N 2.83Å; D11-S13 VanDerWaalsContact O-N 3.12Å; D11-S13 PolarHBondContact OD2-OG 3.05Å; S13-K17 WeakPolarHBondContact O-CB 3.29Å; S13-K17 PolarHBondContact O-N 3.45Å; S13-K17 VanDerWaalsContact O-N 3.12Å; S13-S200 WeakPolarHBondContact CB-OG 3.1Å; S13-S200 PolarHBondContact OG-N 3.4Å
14G89.3Confident88.8Confident1 Ų141.9 Ų41.91%0.0121%0.214CC..Hα-helixtrans-65.2-40.8174.400000112.7D11 S12 C18 A19D11-G14 PolarHBondContact O-N 3.34Å; S12-G14 VanDerWaalsContact C-N 3.27Å; S12-G14 PolarHBondContact O-N 3.03Å; G14-C18 PolarHBondContact O-N 2.84Å; G14-A19 PolarHBondContact O-N 3.34Å
15F91.7Very high88.9Confident12 Ų1238.4 Ų38.45%0.05320%0.2CC..Hα-helixtrans-73.5-42.4178.1-57.8-65000112.2V10 D11 S12 K17 C18 L21 I38 T43 L47 L54V10-F15 HydrophobicContact CB-CE2 4.08Å; V10-F15 HydrophobicContact CB-CZ 3.83Å; V10-F15 HydrophobicContact CG1-CD1 4.37Å; V10-F15 HydrophobicContact CG1-CD2 4.09Å; V10-F15 HydrophobicContact CG1-CE1 3.92Å; V10-F15 HydrophobicContact CG1-CE2 3.6Å; V10-F15 HydrophobicContact CG1-CG 4.46Å; V10-F15 HydrophobicContact CG1-CZ 3.51Å; D11-F15 WeakPolarHBondContact O-CD2 3.19Å; S12-F15 PolarHBondContact O-N 2.92Å; S12-F15 VanDerWaalsContact O-N 3.15Å; F15-K17 PolarHBondContact O-N 2.93Å; F15-C18 PolarHBondContact O-N 3.3Å; F15-L21 HydrophobicContact CD1-CD1 4.31Å; F15-L21 HydrophobicContact CE1-CD1 4.01Å; F15-I38 HydrophobicContact CB-CD1 4.08Å; F15-I38 HydrophobicContact CD2-CD1 3.9Å; F15-I38 HydrophobicContact CG-CD1 4.28Å; F15-T43 HydrophobicContact CB-CG2 3.86Å; F15-L47 HydrophobicContact CB-CD2 4.38Å; F15-L47 HydrophobicContact CD1-CD2 3.37Å; F15-L47 HydrophobicContact CD2-CD2 4.47Å; F15-L47 HydrophobicContact CE1-CD2 3.63Å; F15-L47 HydrophobicContact CG-CD2 3.83Å; F15-L47 HydrophobicContact CZ-CD2 4.28Å; F15-L54 HydrophobicContact CE1-CD2 4.11Å; F15-L54 HydrophobicContact CZ-CD1 4.25Å; F15-L54 HydrophobicContact CZ-CD2 3.77Å
16I90.8Very high89Confident91 Ų9144.2 Ų44.247%0.46723%0.226SC..Hα-helixtrans-65.2-41.5-177.6-67165.1000111.1S12 C18 T43S12-I16 VanDerWaalsContact O-CG1 3.29Å; S12-I16 WeakPolarHBondContact O-CG1 3.25Å; S12-I16 PolarHBondContact O-N 3.39Å; I16-C18 VanDerWaalsContact C-N 3.3Å; I16-C18 PolarHBondContact O-N 3.2Å; I16-T43 HydrophobicContact CG1-CG2 4.44Å
17K86.2Confident89Confident113 Ų11340.9 Ų40.949%0.49122%0.217SC..THydrogen-bonded Turntrans-861.7-177.9-66.3178.6-177.7175.40114S13 F15 S200 I218S13-K17 WeakPolarHBondContact O-CB 3.29Å; S13-K17 PolarHBondContact O-N 3.45Å; S13-K17 VanDerWaalsContact O-N 3.12Å; F15-K17 PolarHBondContact O-N 2.93Å; K17-S200 VanDerWaalsContact NZ-CB 3.31Å; K17-S200 PolarHBondContact NZ-OG 3.42Å; K17-S200 VanDerWaalsContact NZ-OG 3.12Å; K17-I218 HydrophobicContact CB-CG1 4.33Å; K17-I218 HydrophobicContact CB-CG2 4.07Å; K17-I218 HydrophobicContact CD-CD1 3.26Å; K17-I218 HydrophobicContact CD-CG1 3.76Å
18C83Confident89.1Confident64 Ų6440 Ų4043%0.43221%0.213SC..THydrogen-bonded Turntrans58.750.4177.3-151.70000113G14 F15 I16 R46G14-C18 PolarHBondContact O-N 2.84Å; F15-C18 PolarHBondContact O-N 3.3Å; I16-C18 VanDerWaalsContact C-N 3.3Å; I16-C18 PolarHBondContact O-N 3.2Å; C18-R46 VanDerWaalsContact SG-CZ 3.55Å; C18-R46 PolarHBondContact SG-NH1 3.26Å; C18-R46 VanDerWaalsContact SG-NH1 3.36Å
19A78.7Confident89.1Confident16 Ų1641.5 Ų41.513%0.13222%0.219CC..  trans-62.6142.9174.900000111.1G14 L21 L198 I218G14-A19 PolarHBondContact O-N 3.34Å; A19-L21 HydrophobicContact CB-CD2 4Å; A19-L21 HydrophobicContact CB-CG 4.28Å; A19-L21 PolarHBondContact O-N 2.88Å; A19-L198 HydrophobicContact CB-CD2 4.5Å; A19-I218 HydrophobicContact CB-CG2 3.93Å
20D83.1Confident89.1Confident127 Ų12741.5 Ų41.568%0.67922%0.219SC*.  trans-76.268.4172.6-74.8-23.3000110.9F22 C23D20-F22 PolarHBondContact O-N 3.19Å; D20-F22 VanDerWaalsContact O-N 3.14Å; D20-C23 PolarHBondContact O-N 3.13Å; D20-C23 VanDerWaalsContact O-N 3.11Å
21L83.8Confident89.2Confident8 Ų841.6 Ų41.64%0.04222%0.219CC..Hα-helixtrans-54.7-36.9-173.2-66175.1000112.7L8 V10 F15 A19 C23 L24 A25 F28 F52 L198L8-L21 HydrophobicContact CD2-CD2 4.29Å; V10-L21 HydrophobicContact CG1-CD1 4.15Å; V10-L21 HydrophobicContact CG1-CD2 4.17Å; V10-L21 HydrophobicContact CG2-CD1 4.33Å; V10-L21 HydrophobicContact CG2-CD2 4.01Å; F15-L21 HydrophobicContact CD1-CD1 4.31Å; F15-L21 HydrophobicContact CE1-CD1 4.01Å; A19-L21 HydrophobicContact CB-CD2 4Å; A19-L21 HydrophobicContact CB-CG 4.28Å; A19-L21 PolarHBondContact O-N 2.88Å; L21-C23 PolarHBondContact O-N 3.14Å; L21-C23 VanDerWaalsContact O-N 3.14Å; L21-L24 PolarHBondContact O-N 2.96Å; L21-A25 PolarHBondContact O-N 3.11Å; L21-F28 HydrophobicContact CB-CD1 4.24Å; L21-F28 HydrophobicContact CB-CE1 3.7Å; L21-F28 HydrophobicContact CB-CZ 4.33Å; L21-F28 WeakPolarHBondContact O-CE1 3.49Å; L21-F28 WeakPolarHBondContact O-CZ 3.19Å; L21-F52 HydrophobicContact CB-CE1 3.99Å; L21-F52 HydrophobicContact CB-CZ 3.84Å; L21-F52 HydrophobicContact CD1-CZ 3.78Å; L21-F52 HydrophobicContact CG-CZ 4.46Å; L21-L198 HydrophobicContact CD2-CD1 4.21Å; L21-L198 HydrophobicContact CD2-CD2 4.34Å
22F85.7Confident89.2Confident123 Ų12345.4 Ų45.454%0.53924%0.24SC..Hα-helixtrans-56.4-31.9-179.4-175.1-99.1000114.1K4 D20K4-F22 PolarHBondContact NZ-O 3.13Å; D20-F22 PolarHBondContact O-N 3.19Å; D20-F22 VanDerWaalsContact O-N 3.14Å
23C85Confident89.3Confident57 Ų5746.2 Ų46.239%0.38524%0.243SC..Hα-helixtrans-81.9-17.6179.8-68.80000112.8D20 L21D20-C23 PolarHBondContact O-N 3.13Å; D20-C23 VanDerWaalsContact O-N 3.11Å; L21-C23 PolarHBondContact O-N 3.14Å; L21-C23 VanDerWaalsContact O-N 3.14Å
24L85.4Confident89.5Confident16 Ų1645.8 Ų45.88%0.08424%0.24CC..Hα-helixtrans-93.6-34.2-170.1-60.1-178.6000113.2K4 V5 L8 L21 L198 G220K4-L24 WeakPolarHBondContact CA-O 3.3Å; V5-L24 PolarHBondContact N-O 3.11Å; L8-L24 HydrophobicContact CD2-CB 4.16Å; L21-L24 PolarHBondContact O-N 2.96Å; L24-L198 HydrophobicContact CD1-CD1 3.52Å; L24-G220 VanDerWaalsContact CD2-CA 3.41Å
25A88.6Confident89.6Confident2 Ų248 Ų482%0.01725%0.251CS..EExtended strand (participates in β ladder)trans-146.5168-172.200000114.5V5 L8 L21 F28V5-A25 HydrophobicContact CB-CB 4.29Å; V5-A25 CarbonylContact O-C 3.53Å; V5-A25 WeakPolarHBondContact O-CA 3.42Å; V5-A25 VanDerWaalsContact O-CB 3.26Å; V5-A25 WeakPolarHBondContact O-CB 3.24Å; L8-A25 HydrophobicContact CB-CB 3.39Å; L8-A25 HydrophobicContact CD2-CB 3.82Å; L8-A25 HydrophobicContact CG-CB 4.21Å; L21-A25 PolarHBondContact O-N 3.11Å; A25-F28 HydrophobicContact CB-CD1 4.38Å; A25-F28 HydrophobicContact CB-CE1 3.78Å; A25-F28 HydrophobicContact CB-CZ 4.08Å; A25-F28 WeakPolarHBondContact O-CZ 3.44Å
26E90.6Very high89.7Confident128 Ų12853.2 Ų53.260%0.59828%0.277SS*.EExtended strand (participates in β ladder)trans-94.1-45.9174.1-64.5176.717800111.5K4 V5K4-E26 HydrophobicContact CB-CG 4.21Å; K4-E26 HydrophobicContact CD-CG 4.23Å; V5-E26 PolarHBondContact O-N 2.91Å
27S92.9Very high89.7Confident42 Ų4253.6 Ų53.629%0.29428%0.277SS..EExtended strand (participates in β ladder)trans-116.2135.5178.5-55.30000111.8K6 L8K6-S27 WeakPolarHBondContact O-CB 3.31Å; K6-S27 PolarHBondContact O-N 3.39Å; L8-S27 PolarHBondContact N-O 3.27Å
28F94.3Very high90Very high8 Ų848.5 Ų48.54%0.03526%0.255CS..EExtended strand (participates in β ladder)trans-115.6129-176.8-57.6-81.6000111.7L8 V10 L21 A25 F52 L54 T55L8-F28 HydrophobicContact CD2-CD1 4.24Å; L8-F28 HydrophobicContact CD2-CE1 4.12Å; V10-F28 HydrophobicContact CG2-CD1 4.38Å; L21-F28 HydrophobicContact CB-CD1 4.24Å; L21-F28 HydrophobicContact CB-CE1 3.7Å; L21-F28 HydrophobicContact CB-CZ 4.33Å; L21-F28 WeakPolarHBondContact O-CE1 3.49Å; L21-F28 WeakPolarHBondContact O-CZ 3.19Å; A25-F28 HydrophobicContact CB-CD1 4.38Å; A25-F28 HydrophobicContact CB-CE1 3.78Å; A25-F28 HydrophobicContact CB-CZ 4.08Å; A25-F28 WeakPolarHBondContact O-CZ 3.44Å; F28-F52 HydrophobicContact CB-CD2 4.07Å; F28-F52 HydrophobicContact CB-CE2 3.92Å; F28-F52 HydrophobicContact CD1-CE2 4.13Å; F28-F52 HydrophobicContact CD1-CZ 4.42Å; F28-F52 HydrophobicContact CD2-CB 4.18Å; F28-F52 HydrophobicContact CD2-CD1 4.4Å; F28-F52 AromaticContact CD2-CD2 3.27Å; F28-F52 HydrophobicContact CD2-CD2 3.27Å; F28-F52 AromaticContact CD2-CE2 3.67Å; F28-F52 HydrophobicContact CD2-CE2 3.67Å; F28-F52 AromaticContact CD2-CG 3.7Å; F28-F52 HydrophobicContact CD2-CG 3.7Å; F28-F52 HydrophobicContact CD2-CZ 4.39Å; F28-F52 HydrophobicContact CE2-CB 4.17Å; F28-F52 HydrophobicContact CE2-CD1 4.13Å; F28-F52 AromaticContact CE2-CD2 3.83Å; F28-F52 HydrophobicContact CE2-CD2 3.83Å; F28-F52 HydrophobicContact CE2-CE2 4.24Å; F28-F52 AromaticContact CE2-CG 3.77Å; F28-F52 HydrophobicContact CE2-CG 3.77Å; F28-F52 AromaticContact CG-CD2 3.71Å; F28-F52 HydrophobicContact CG-CD2 3.71Å; F28-F52 AromaticContact CG-CE2 3.61Å; F28-F52 HydrophobicContact CG-CE2 3.61Å; F28-F52 HydrophobicContact CG-CG 4.48Å; F28-F52 HydrophobicContact CG-CZ 4.31Å; F28-L54 HydrophobicContact CB-CD1 3.84Å; F28-T55 PolarHBondContact O-N 3.04Å
29Y95.5Very high90.4Very high32 Ų3254 Ų5413%0.12527%0.272CS..EExtended strand (participates in β ladder)trans-124.4147.7179.2-55.6-81.7000111.1H7 L8 V9 V10 T55 L57 L94H7-Y29 HydrophobicContact CB-CD2 4.31Å; H7-Y29 HydrophobicContact CB-CE2 3.71Å; H7-Y29 AromaticContact CG-CE2 3.97Å; H7-Y29 AromaticContact ND1-CE2 3.49Å; H7-Y29 WeakPolarHBondContact ND1-CE2 3.42Å; H7-Y29 AromaticContact ND1-CZ 3.72Å; H7-Y29 PolarHBondContact ND1-OH 3.34Å; H7-Y29 VanDerWaalsContact ND1-OH 3.09Å; L8-Y29 PolarHBondContact O-N 3.24Å; V9-Y29 CarbonylContact C-O 3.55Å; V9-Y29 WeakPolarHBondContact CA-O 3.29Å; V10-Y29 PolarHBondContact N-O 3.47Å; Y29-T55 CarbonylContact C-O 3.55Å; Y29-T55 VanDerWaalsContact CA-O 3.26Å; Y29-T55 WeakPolarHBondContact CA-O 3.46Å; Y29-T55 HydrophobicContact CD1-CG2 4.02Å; Y29-T55 HydrophobicContact CE1-CG2 4.15Å; Y29-L57 HydrophobicContact CD1-CD1 3.69Å; Y29-L57 HydrophobicContact CD1-CD2 3.81Å; Y29-L57 HydrophobicContact CD1-CG 3.77Å; Y29-L57 HydrophobicContact CE1-CD2 4.34Å; Y29-L57 HydrophobicContact CG-CD1 3.8Å; Y29-L57 HydrophobicContact CG-CG 4.26Å; Y29-L94 HydrophobicContact CD2-CD1 3.74Å; Y29-L94 HydrophobicContact CE2-CD1 4.2Å; Y29-L94 HydrophobicContact CG-CD1 3.97Å
30T95.3Very high91Very high0 Ų057 Ų570%029%0.286CS..EExtended strand (participates in β ladder)trans-146177.6170.7-162.40000110.2V10 L35 L54 T55 V56 L57V10-T30 PolarHBondContact O-OG1 2.95Å; V10-T30 VanDerWaalsContact O-OG1 3.12Å; T30-L35 HydrophobicContact CG2-CD1 3.9Å; T30-L35 HydrophobicContact CG2-CD2 4.16Å; T30-L35 HydrophobicContact CG2-CG 3.98Å; T30-L54 HydrophobicContact CG2-CD1 4.09Å; T30-L54 HydrophobicContact CG2-CD2 3.69Å; T30-L54 HydrophobicContact CG2-CG 3.76Å; T30-T55 PolarHBondContact N-O 3.46Å; T30-V56 HydrophobicContact CG2-CG2 4.09Å; T30-V56 CarbonylContact O-C 3.6Å; T30-V56 WeakPolarHBondContact O-CA 3.42Å; T30-L57 PolarHBondContact O-N 3.36Å
31V95.8Very high91.5Very high2 Ų253.4 Ų53.41%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-116.7144.7176.8177.30000109.3D33 V34 L35 N86 L87 A90V31-D33 VanDerWaalsContact C-N 3.29Å; V31-D33 HydrophobicContact CG1-CB 4.4Å; V31-D33 PolarHBondContact O-N 3.25Å; V31-V34 HydrophobicContact CB-CG2 4.15Å; V31-V34 WeakPolarHBondContact O-CB 3.38Å; V31-V34 PolarHBondContact O-N 2.7Å; V31-V34 VanDerWaalsContact O-N 3.1Å; V31-L35 PolarHBondContact O-N 2.78Å; V31-N86 HydrophobicContact CG1-CB 3.94Å; V31-L87 HydrophobicContact CG2-CD1 4.48Å; V31-A90 HydrophobicContact CG2-CB 3.75Å
32N94.8Very high91.9Very high85 Ų8560.5 Ų60.546%0.45531%0.309SS..Hα-helixtrans-57.8-39.4-177.4-172.850.8000113.1V34 L35 M36 V56N32-V34 VanDerWaalsContact C-N 3.26Å; N32-V34 PolarHBondContact O-N 3.4Å; N32-L35 PolarHBondContact O-N 3.16Å; N32-L35 VanDerWaalsContact O-N 3.14Å; N32-M36 WeakPolarHBondContact O-CG 3.34Å; N32-M36 PolarHBondContact O-N 2.6Å; N32-V56 HydrophobicContact CB-CG1 3.91Å
33D94.3Very high92.2Very high34 Ų3454.7 Ų54.718%0.18228%0.283CS..Hα-helixtrans-59.9-35.6178.2-70.6-49.9000112.9V31 M36 E37 A83 N86V31-D33 VanDerWaalsContact C-N 3.29Å; V31-D33 HydrophobicContact CG1-CB 4.4Å; V31-D33 PolarHBondContact O-N 3.25Å; D33-M36 PolarHBondContact O-N 3.47Å; D33-M36 WeakPolarHBondContact OD1-CE 3.41Å; D33-E37 WeakPolarHBondContact O-CB 3.47Å; D33-E37 PolarHBondContact O-N 2.67Å; D33-A83 HydrophobicContact CB-CB 4.04Å; D33-N86 PolarHBondContact OD2-ND2 3.36Å
34V93.8Very high92.6Very high0 Ų056.3 Ų56.30%028%0.283CS..Hα-helixtrans-66.1-41.8177.1178.20000110.4V31 N32 E37 I38 L87V31-V34 HydrophobicContact CB-CG2 4.15Å; V31-V34 WeakPolarHBondContact O-CB 3.38Å; V31-V34 PolarHBondContact O-N 2.7Å; V31-V34 VanDerWaalsContact O-N 3.1Å; N32-V34 VanDerWaalsContact C-N 3.26Å; N32-V34 PolarHBondContact O-N 3.4Å; V34-E37 PolarHBondContact O-N 3.3Å; V34-I38 WeakPolarHBondContact O-CG1 3.14Å; V34-I38 PolarHBondContact O-N 3.24Å; V34-L87 HydrophobicContact CG2-CD1 4.07Å
35L93.4Very high93Very high49 Ų4958.1 Ų58.126%0.25730%0.301SS..Hα-helixtrans-66.1-37.8176.4-63.4179000112T30 V31 N32 E37 I38 L47 L54 V56T30-L35 HydrophobicContact CG2-CD1 3.9Å; T30-L35 HydrophobicContact CG2-CD2 4.16Å; T30-L35 HydrophobicContact CG2-CG 3.98Å; V31-L35 PolarHBondContact O-N 2.78Å; N32-L35 PolarHBondContact O-N 3.16Å; N32-L35 VanDerWaalsContact O-N 3.14Å; L35-E37 VanDerWaalsContact C-N 3.32Å; L35-I38 PolarHBondContact O-N 3.25Å; L35-L47 HydrophobicContact CD2-CD1 4.3Å; L35-L54 HydrophobicContact CD2-CD2 4.39Å; L35-V56 HydrophobicContact CD1-CG2 3.92Å
36M92.4Very high93.1Very high120 Ų12063.9 Ų63.959%0.59132%0.322SS*.Hα-helixtrans-68.6-30.7176-67.5-162.5-54.700112.9N32 D33 I38N32-M36 WeakPolarHBondContact O-CG 3.34Å; N32-M36 PolarHBondContact O-N 2.6Å; D33-M36 PolarHBondContact O-N 3.47Å; D33-M36 WeakPolarHBondContact OD1-CE 3.41Å; M36-I38 VanDerWaalsContact C-N 3.32Å
37E91.1Very high93.2Very high99 Ų9959.7 Ų59.746%0.46330%0.304SS..Hα-helixtrans-69-30.6178.7-175.6170.4-170.400112.6D33 V34 L35 K39D33-E37 WeakPolarHBondContact O-CB 3.47Å; D33-E37 PolarHBondContact O-N 2.67Å; V34-E37 PolarHBondContact O-N 3.3Å; L35-E37 VanDerWaalsContact C-N 3.32Å; E37-K39 PolarHBondContact O-N 2.9Å
38I92.8Very high93.1Very high6 Ų667.9 Ų67.93%0.03133%0.328CS..  trans-67.2109.5-178.8-64.3168000110F15 V34 L35 M36 T43 K44 L47F15-I38 HydrophobicContact CB-CD1 4.08Å; F15-I38 HydrophobicContact CD2-CD1 3.9Å; F15-I38 HydrophobicContact CG-CD1 4.28Å; V34-I38 WeakPolarHBondContact O-CG1 3.14Å; V34-I38 PolarHBondContact O-N 3.24Å; L35-I38 PolarHBondContact O-N 3.25Å; M36-I38 VanDerWaalsContact C-N 3.32Å; I38-T43 HydrophobicContact CG2-CG2 3.7Å; I38-K44 HydrophobicContact CG2-CG 4.34Å; I38-K44 WeakPolarHBondContact O-CE 3.44Å; I38-K44 PolarHBondContact O-NZ 3.19Å; I38-L47 HydrophobicContact CD1-CD1 3.84Å; I38-L47 HydrophobicContact CG2-CD1 4.41Å
39K91.6Very high93Very high181 Ų18171.2 Ų71.279%0.78736%0.357SS*.  trans-98.4-24.6178.2-70.1174.3-172.7174.80113.7E37 G41E37-K39 PolarHBondContact O-N 2.9Å; K39-G41 PolarHBondContact O-N 2.72Å
40D91.9Very high92.6Very high79 Ų7972 Ų7242%0.42236%0.364SS..  trans-64.8131.3-173.117740000112.7T43 K44D40-T43 PolarHBondContact OD2-N 3.07Å; D40-T43 VanDerWaalsContact OD2-N 3.1Å; D40-T43 PolarHBondContact OD2-OG1 2.91Å; D40-K44 WeakPolarHBondContact O-CG 3.38Å; D40-K44 PolarHBondContact O-N 3.14Å
41G92.4Very high92.3Very high50 Ų5077.2 Ų77.252%0.51540%0.397SS..Hα-helixtrans-67.8-39.9-176.800000112.8K39 K44 A45K39-G41 PolarHBondContact O-N 2.72Å; G41-K44 PolarHBondContact O-N 2.96Å; G41-A45 PolarHBondContact O-N 3.24Å
42K92Very high91.9Very high158 Ų15879 Ų7969%0.68741%0.405SS*.Hα-helixtrans-64.3-46.4178.5-66.9-177.8179.1-178.60110.5K44 A45 R46K42-K44 PolarHBondContact O-N 3.3Å; K42-A45 PolarHBondContact O-N 2.86Å; K42-R46 WeakPolarHBondContact O-CG 3.43Å; K42-R46 PolarHBondContact O-N 3.28Å; K42-R46 VanDerWaalsContact O-N 3.15Å
43T92.7Very high91.7Very high1 Ų182.8 Ų82.81%0.00642%0.42CS..Hα-helixtrans-62-42.7176.6-52.70000112F15 I16 I38 D40 A45 R46 L47F15-T43 HydrophobicContact CB-CG2 3.86Å; I16-T43 HydrophobicContact CG1-CG2 4.44Å; I38-T43 HydrophobicContact CG2-CG2 3.7Å; D40-T43 PolarHBondContact OD2-N 3.07Å; D40-T43 VanDerWaalsContact OD2-N 3.1Å; D40-T43 PolarHBondContact OD2-OG1 2.91Å; T43-A45 PolarHBondContact O-N 3.06Å; T43-R46 PolarHBondContact O-N 3.38Å; T43-L47 WeakPolarHBondContact O-CG 3.42Å; T43-L47 PolarHBondContact O-N 2.7Å
44K93.4Very high91.6Very high90 Ų9083 Ų8339%0.39142%0.421SS..Hα-helixtrans-61.1-40.2175-76.7179.9-177.6-176.60113.6I38 D40 G41 K42 R46 L47 R48I38-K44 HydrophobicContact CG2-CG 4.34Å; I38-K44 WeakPolarHBondContact O-CE 3.44Å; I38-K44 PolarHBondContact O-NZ 3.19Å; D40-K44 WeakPolarHBondContact O-CG 3.38Å; D40-K44 PolarHBondContact O-N 3.14Å; G41-K44 PolarHBondContact O-N 2.96Å; K42-K44 PolarHBondContact O-N 3.3Å; K44-R46 VanDerWaalsContact C-N 3.31Å; K44-L47 PolarHBondContact O-N 2.88Å; K44-R48 WeakPolarHBondContact O-CG 3.4Å; K44-R48 PolarHBondContact O-N 3.32Å
45A93.5Very high91.7Very high55 Ų5585.9 Ų85.946%0.45544%0.438SS..Hα-helixtrans-62.9-40.6176.400000111.4G41 K42 T43 R48G41-A45 PolarHBondContact O-N 3.24Å; K42-A45 PolarHBondContact O-N 2.86Å; T43-A45 PolarHBondContact O-N 3.06Å; A45-R48 PolarHBondContact O-N 3.36Å
46R91.6Very high91.8Very high123 Ų12386.8 Ų86.846%0.46445%0.446SS..Hα-helixtrans-65.7-42.6176-69.2175.1178.6167.7-5.1112.9C18 K42 T43 K44 R48 A49 L50C18-R46 VanDerWaalsContact SG-CZ 3.55Å; C18-R46 PolarHBondContact SG-NH1 3.26Å; C18-R46 VanDerWaalsContact SG-NH1 3.36Å; K42-R46 WeakPolarHBondContact O-CG 3.43Å; K42-R46 PolarHBondContact O-N 3.28Å; K42-R46 VanDerWaalsContact O-N 3.15Å; T43-R46 PolarHBondContact O-N 3.38Å; K44-R46 VanDerWaalsContact C-N 3.31Å; R46-R48 PolarHBondContact O-N 3.48Å; R46-A49 CarbonylContact O-C 3.46Å; R46-A49 PolarHBondContact O-N 3.29Å; R46-L50 PolarHBondContact O-N 3.41Å
47L91.3Very high91.8Very high40 Ų4082.8 Ų82.821%0.20943%0.427CS..Hα-helixtrans-58.3-33.4177.1-76.5173.5000112.9F15 L35 I38 T43 K44 A49 L50F15-L47 HydrophobicContact CB-CD2 4.38Å; F15-L47 HydrophobicContact CD1-CD2 3.37Å; F15-L47 HydrophobicContact CD2-CD2 4.47Å; F15-L47 HydrophobicContact CE1-CD2 3.63Å; F15-L47 HydrophobicContact CG-CD2 3.83Å; F15-L47 HydrophobicContact CZ-CD2 4.28Å; L35-L47 HydrophobicContact CD2-CD1 4.3Å; I38-L47 HydrophobicContact CD1-CD1 3.84Å; I38-L47 HydrophobicContact CG2-CD1 4.41Å; T43-L47 WeakPolarHBondContact O-CG 3.42Å; T43-L47 PolarHBondContact O-N 2.7Å; K44-L47 PolarHBondContact O-N 2.88Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 3.05Å; L47-L50 HydrophobicContact CD2-CD1 4.04Å
48R91.5Very high91.8Very high213 Ų21386.4 Ų86.480%0.80444%0.444SS*.THydrogen-bonded Turntrans-72.5-19.4175.3-67175.6-172.2154.9-0.2113.7K44 A45 R46K44-R48 WeakPolarHBondContact O-CG 3.4Å; K44-R48 PolarHBondContact O-N 3.32Å; A45-R48 PolarHBondContact O-N 3.36Å; R46-R48 PolarHBondContact O-N 3.48Å
49A91.4Very high91.7Very high78 Ų7887.7 Ų87.765%0.64545%0.453SS*.THydrogen-bonded Turntrans-114.225-173.400000112.5R46 L47R46-A49 CarbonylContact O-C 3.46Å; R46-A49 PolarHBondContact O-N 3.29Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 3.05Å
50L88.1Confident91.7Very high50 Ų5083.2 Ų83.226%0.26244%0.437SS..  trans-67.6135.3179.3-71.4174.5000111.1R46 L47 F52 L54R46-L50 PolarHBondContact O-N 3.41Å; L47-L50 HydrophobicContact CD2-CD1 4.04Å; L50-F52 HydrophobicContact CD1-CE2 4.17Å; L50-F52 HydrophobicContact CD1-CZ 4.27Å; L50-F52 HydrophobicContact CD2-CE1 4.13Å; L50-F52 HydrophobicContact CD2-CZ 3.85Å; L50-F52 HydrophobicContact CG-CZ 4.46Å; L50-F52 PolarHBondContact O-N 2.84Å; L50-L54 HydrophobicContact CD1-CB 4.48Å; L50-L54 HydrophobicContact CD1-CD2 4.26Å
51P88.1Confident91.9Very high109 Ų10983.6 Ų83.671%0.70845%0.446SS*.SBendtrans-82.510.218033.9-35.3000113.7
52F87.9Confident92Very high39 Ų3984.9 Ų84.917%0.17145%0.447CS..SBendtrans-142.6160-179.256.1-98.7000110.5L21 F28 L50L21-F52 HydrophobicContact CB-CE1 3.99Å; L21-F52 HydrophobicContact CB-CZ 3.84Å; L21-F52 HydrophobicContact CD1-CZ 3.78Å; L21-F52 HydrophobicContact CG-CZ 4.46Å; F28-F52 HydrophobicContact CB-CD2 4.07Å; F28-F52 HydrophobicContact CB-CE2 3.92Å; F28-F52 HydrophobicContact CD1-CE2 4.13Å; F28-F52 HydrophobicContact CD1-CZ 4.42Å; F28-F52 HydrophobicContact CD2-CB 4.18Å; F28-F52 HydrophobicContact CD2-CD1 4.4Å; F28-F52 AromaticContact CD2-CD2 3.27Å; F28-F52 HydrophobicContact CD2-CD2 3.27Å; F28-F52 AromaticContact CD2-CE2 3.67Å; F28-F52 HydrophobicContact CD2-CE2 3.67Å; F28-F52 AromaticContact CD2-CG 3.7Å; F28-F52 HydrophobicContact CD2-CG 3.7Å; F28-F52 HydrophobicContact CD2-CZ 4.39Å; F28-F52 HydrophobicContact CE2-CB 4.17Å; F28-F52 HydrophobicContact CE2-CD1 4.13Å; F28-F52 AromaticContact CE2-CD2 3.83Å; F28-F52 HydrophobicContact CE2-CD2 3.83Å; F28-F52 HydrophobicContact CE2-CE2 4.24Å; F28-F52 AromaticContact CE2-CG 3.77Å; F28-F52 HydrophobicContact CE2-CG 3.77Å; F28-F52 AromaticContact CG-CD2 3.71Å; F28-F52 HydrophobicContact CG-CD2 3.71Å; F28-F52 AromaticContact CG-CE2 3.61Å; F28-F52 HydrophobicContact CG-CE2 3.61Å; F28-F52 HydrophobicContact CG-CG 4.48Å; F28-F52 HydrophobicContact CG-CZ 4.31Å; L50-F52 HydrophobicContact CD1-CE2 4.17Å; L50-F52 HydrophobicContact CD1-CZ 4.27Å; L50-F52 HydrophobicContact CD2-CE1 4.13Å; L50-F52 HydrophobicContact CD2-CZ 3.85Å; L50-F52 HydrophobicContact CG-CZ 4.46Å; L50-F52 PolarHBondContact O-N 2.84Å
53E90.4Very high92.1Very high165 Ų16577.6 Ų77.677%0.77142%0.416SS*.  trans-79.4127176.5-169.1174.1178.400110.7
54L92.8Very high92.3Very high38 Ų3879.5 Ų79.520%0.19943%0.426CS..EExtended strand (participates in β ladder)trans-103.6109.6177.3-178.365.3000109.1F15 F28 T30 L35 L50F15-L54 HydrophobicContact CE1-CD2 4.11Å; F15-L54 HydrophobicContact CZ-CD1 4.25Å; F15-L54 HydrophobicContact CZ-CD2 3.77Å; F28-L54 HydrophobicContact CB-CD1 3.84Å; T30-L54 HydrophobicContact CG2-CD1 4.09Å; T30-L54 HydrophobicContact CG2-CD2 3.69Å; T30-L54 HydrophobicContact CG2-CG 3.76Å; L35-L54 HydrophobicContact CD2-CD2 4.39Å; L50-L54 HydrophobicContact CD1-CB 4.48Å; L50-L54 HydrophobicContact CD1-CD2 4.26Å
55T95.2Very high92.4Very high60 Ų6081.6 Ų81.637%0.36844%0.435SS..EExtended strand (participates in β ladder)trans-81.2123.5179.3-53.90000110.5F28 Y29 T30 L57F28-T55 PolarHBondContact O-N 3.04Å; Y29-T55 CarbonylContact C-O 3.55Å; Y29-T55 VanDerWaalsContact CA-O 3.26Å; Y29-T55 WeakPolarHBondContact CA-O 3.46Å; Y29-T55 HydrophobicContact CD1-CG2 4.02Å; Y29-T55 HydrophobicContact CE1-CG2 4.15Å; T30-T55 PolarHBondContact N-O 3.46Å; T55-L57 HydrophobicContact CG2-CD2 4.25Å
56V95.3Very high92.5Very high69 Ų6981.3 Ų81.342%0.41842%0.424SS..EExtended strand (participates in β ladder)trans-86.5120.9174-174.90000108.9T30 N32 L35T30-V56 HydrophobicContact CG2-CG2 4.09Å; T30-V56 CarbonylContact O-C 3.6Å; T30-V56 WeakPolarHBondContact O-CA 3.42Å; N32-V56 HydrophobicContact CB-CG1 3.91Å; L35-V56 HydrophobicContact CD1-CG2 3.92Å
57L93.3Very high92.7Very high36 Ų3675.5 Ų75.519%0.18840%0.402CS..EExtended strand (participates in β ladder)trans-97140.1177-63.7179.9000110.7Y29 T30 T55 A90 L94Y29-L57 HydrophobicContact CD1-CD1 3.69Å; Y29-L57 HydrophobicContact CD1-CD2 3.81Å; Y29-L57 HydrophobicContact CD1-CG 3.77Å; Y29-L57 HydrophobicContact CE1-CD2 4.34Å; Y29-L57 HydrophobicContact CG-CD1 3.8Å; Y29-L57 HydrophobicContact CG-CG 4.26Å; T30-L57 PolarHBondContact O-N 3.36Å; T55-L57 HydrophobicContact CG2-CD2 4.25Å; L57-A90 HydrophobicContact CB-CB 4.33Å; L57-A90 HydrophobicContact CD1-CB 4.3Å; L57-L94 HydrophobicContact CD1-CD1 3.73Å; L57-L94 HydrophobicContact CD1-CD2 4.1Å; L57-L94 HydrophobicContact CD1-CG 3.89Å
58E91.6Very high92.9Very high175 Ų17575.3 Ų75.382%0.81840%0.402SS*.PPolyproline II helixtrans-99.3128.1166.3-64.1-168.7160.700108.9
59P89.5Confident93Very high33 Ų3370.6 Ų70.621%0.21439%0.39CS..PPolyproline II helixtrans-75.1135.1-175.629.9-35.8000112L64 N86 A89P59-L64 HydrophobicContact CB-CD1 4.13Å; P59-L64 HydrophobicContact CB-CD2 4.27Å; P59-L64 HydrophobicContact CB-CG 4.05Å; P59-L64 HydrophobicContact CG-CD1 4Å; P59-L64 HydrophobicContact CG-CD2 4.42Å; P59-L64 HydrophobicContact CG-CG 4.37Å; P59-N86 HydrophobicContact CG-CB 4Å; P59-A89 HydrophobicContact CB-CB 3.73Å
60D92.7Very high93.1Very high87 Ų8767 Ų6747%0.46536%0.359SS..PPolyproline II helixtrans-65140.7173.8-62.8-43000111.7S62 S63 L64D60-S62 PolarHBondContact O-N 2.86Å; D60-S63 PolarHBondContact O-N 2.99Å; D60-L64 WeakPolarHBondContact O-CG 3.26Å; D60-L64 PolarHBondContact O-N 3.4Å
61S94.8Very high93.3Very high86 Ų8664.7 Ų64.760%0.60135%0.347SS*.Hα-helixtrans-62.8-27.1177.768.50000113.6K65S61-K65 VanDerWaalsContact O-CG 3.32Å; S61-K65 WeakPolarHBondContact O-CG 3.49Å; S61-K65 PolarHBondContact O-N 3.24Å
62S94.8Very high93.5Very high78 Ų7865.6 Ų65.655%0.54534%0.34SS..Hα-helixtrans-68.8-5117450.70000111.4D60 L64 K65 F66D60-S62 PolarHBondContact O-N 2.86Å; S62-L64 VanDerWaalsContact C-N 3.3Å; S62-L64 PolarHBondContact O-N 3.37Å; S62-K65 PolarHBondContact O-N 2.8Å; S62-F66 PolarHBondContact O-N 3Å; S62-F66 VanDerWaalsContact O-N 3.07Å
63S94.9Very high93.5Very high5 Ų568.8 Ų68.84%0.03535%0.354CS..Hα-helixtrans-60.4-39.7176.8-66.50000111.6D60 F66 V67 A89 H92D60-S63 PolarHBondContact O-N 2.99Å; S63-F66 PolarHBondContact O-N 2.83Å; S63-V67 WeakPolarHBondContact O-CB 3.47Å; S63-V67 VanDerWaalsContact O-CG2 3.27Å; S63-V67 WeakPolarHBondContact O-CG2 3.1Å; S63-V67 PolarHBondContact O-N 2.83Å; S63-A89 WeakPolarHBondContact CB-O 3.47Å; S63-H92 WeakPolarHBondContact CB-ND1 3.15Å; S63-H92 PolarHBondContact OG-ND1 3.05Å
64L95.7Very high93.3Very high41 Ų4162.3 Ų62.322%0.21533%0.325CS..Hα-helixtrans-60.4-46.8174.7-78.5169000112.5P59 D60 S62 F66 V67 T68 N86 A89P59-L64 HydrophobicContact CB-CD1 4.13Å; P59-L64 HydrophobicContact CB-CD2 4.27Å; P59-L64 HydrophobicContact CB-CG 4.05Å; P59-L64 HydrophobicContact CG-CD1 4Å; P59-L64 HydrophobicContact CG-CD2 4.42Å; P59-L64 HydrophobicContact CG-CG 4.37Å; D60-L64 WeakPolarHBondContact O-CG 3.26Å; D60-L64 PolarHBondContact O-N 3.4Å; S62-L64 VanDerWaalsContact C-N 3.3Å; S62-L64 PolarHBondContact O-N 3.37Å; L64-F66 PolarHBondContact O-N 2.94Å; L64-V67 PolarHBondContact O-N 2.89Å; L64-T68 WeakPolarHBondContact O-CB 3.34Å; L64-T68 WeakPolarHBondContact O-CG2 3.42Å; L64-T68 PolarHBondContact O-N 3.42Å; L64-T68 PolarHBondContact O-OG1 2.94Å; L64-N86 WeakPolarHBondContact CD2-OD1 3.41Å; L64-A89 HydrophobicContact CB-CB 4.4Å; L64-A89 HydrophobicContact CD2-CB 3.43Å; L64-A89 VanDerWaalsContact CD2-CB 3.43Å; L64-A89 HydrophobicContact CG-CB 3.66Å
65K96.2Very high92.8Very high133 Ų13362.1 Ų62.158%0.57833%0.332SS*.Hα-helixtrans-59.7-49.5177.8-73.2171.4-176.2178.30110.8S61 S62 V67 T68 E69S61-K65 VanDerWaalsContact O-CG 3.32Å; S61-K65 WeakPolarHBondContact O-CG 3.49Å; S61-K65 PolarHBondContact O-N 3.24Å; S62-K65 PolarHBondContact O-N 2.8Å; K65-V67 PolarHBondContact O-N 2.95Å; K65-T68 PolarHBondContact O-N 3.36Å; K65-T68 PolarHBondContact O-OG1 3.42Å; K65-E69 WeakPolarHBondContact O-CG 3.36Å; K65-E69 PolarHBondContact O-N 2.99Å
66F95.1Very high92.3Very high50 Ų5059.4 Ų59.422%0.21932%0.316CS..Hα-helixtrans-55.2-51.9177.6177.8-95.7000111.9S62 S63 L64 T68 E69 F70 H92 I104S62-F66 PolarHBondContact O-N 3Å; S62-F66 VanDerWaalsContact O-N 3.07Å; S63-F66 PolarHBondContact O-N 2.83Å; L64-F66 PolarHBondContact O-N 2.94Å; F66-T68 VanDerWaalsContact C-N 3.33Å; F66-T68 PolarHBondContact O-N 2.84Å; F66-E69 PolarHBondContact O-N 3.14Å; F66-F70 HydrophobicContact CE1-CD2 4.49Å; F66-F70 HydrophobicContact CZ-CD2 4.22Å; F66-F70 WeakPolarHBondContact O-CB 3.44Å; F66-F70 PolarHBondContact O-N 3.02Å; F66-H92 AromaticContact CD1-CD2 3.48Å; F66-H92 VanDerWaalsContact CD1-CD2 3.48Å; F66-H92 WeakPolarHBondContact CD1-CD2 3.33Å; F66-H92 AromaticContact CD1-CE1 3.92Å; F66-H92 AromaticContact CD1-NE2 3.34Å; F66-H92 VanDerWaalsContact CD1-NE2 3.34Å; F66-H92 WeakPolarHBondContact CD1-NE2 3.41Å; F66-H92 AromaticContact CE1-CD2 3.57Å; F66-H92 AromaticContact CE1-NE2 3.53Å; F66-H92 AromaticContact CG-NE2 3.91Å; F66-I104 HydrophobicContact CE1-CG2 4.18Å; F66-I104 HydrophobicContact CZ-CG2 4.19Å
67V95.4Very high92.1Very high0 Ų061.3 Ų61.30%032%0.316CS..Hα-helixtrans-61.6-40.4179.9168.40000111.6S63 L64 K65 F70 S71 L85 L88 A89 H92 M211S63-V67 WeakPolarHBondContact O-CB 3.47Å; S63-V67 VanDerWaalsContact O-CG2 3.27Å; S63-V67 WeakPolarHBondContact O-CG2 3.1Å; S63-V67 PolarHBondContact O-N 2.83Å; L64-V67 PolarHBondContact O-N 2.89Å; K65-V67 PolarHBondContact O-N 2.95Å; V67-F70 PolarHBondContact O-N 3.3Å; V67-S71 WeakPolarHBondContact O-CB 3.34Å; V67-S71 PolarHBondContact O-N 3.49Å; V67-S71 PolarHBondContact O-OG 2.93Å; V67-L85 HydrophobicContact CG1-CD2 4.2Å; V67-L88 HydrophobicContact CG1-CB 3.53Å; V67-L88 HydrophobicContact CG1-CD1 3.91Å; V67-L88 HydrophobicContact CG1-CG 4.37Å; V67-L88 HydrophobicContact CG2-CB 4.26Å; V67-A89 HydrophobicContact CG2-CB 4.42Å; V67-H92 HydrophobicContact CG2-CB 4.11Å; V67-M211 HydrophobicContact CB-CE 4.39Å; V67-M211 HydrophobicContact CG1-CE 4.31Å; V67-M211 HydrophobicContact CG2-CE 4.02Å
68T95.5Very high91.8Very high36 Ų3663.5 Ų63.522%0.22134%0.34CS..Hα-helixtrans-65.8-38.8178.160.80000112.5L64 K65 F66 K72 L85L64-T68 WeakPolarHBondContact O-CB 3.34Å; L64-T68 WeakPolarHBondContact O-CG2 3.42Å; L64-T68 PolarHBondContact O-N 3.42Å; L64-T68 PolarHBondContact O-OG1 2.94Å; K65-T68 PolarHBondContact O-N 3.36Å; K65-T68 PolarHBondContact O-OG1 3.42Å; F66-T68 VanDerWaalsContact C-N 3.33Å; F66-T68 PolarHBondContact O-N 2.84Å; T68-K72 VanDerWaalsContact O-CG 3.29Å; T68-K72 WeakPolarHBondContact O-CG 3.2Å; T68-K72 PolarHBondContact O-N 3.41Å; T68-L85 HydrophobicContact CG2-CD1 4.37Å; T68-L85 HydrophobicContact CG2-CD2 4.26Å
69E94.9Very high91.5Very high115 Ų11557.2 Ų57.254%0.53731%0.313SS..Hα-helixtrans-69.2-45.2176.5-70.9176.9-173.900111.1K65 F66 S71 K72 K73K65-E69 WeakPolarHBondContact O-CG 3.36Å; K65-E69 PolarHBondContact O-N 2.99Å; F66-E69 PolarHBondContact O-N 3.14Å; E69-S71 VanDerWaalsContact C-N 3.34Å; E69-S71 PolarHBondContact O-N 3.11Å; E69-K72 WeakPolarHBondContact O-CB 3.24Å; E69-K72 PolarHBondContact O-N 2.78Å; E69-K73 WeakPolarHBondContact O-CG 3.46Å; E69-K73 PolarHBondContact O-N 3.04Å
70F93.6Very high91.6Very high3 Ų356.5 Ų56.51%0.01331%0.307CS..Hα-helixtrans-61.4-42.1176.7-165.9-84.5000112F66 V67 K72 K73 T74 N105 P108 Q210 M211F66-F70 HydrophobicContact CE1-CD2 4.49Å; F66-F70 HydrophobicContact CZ-CD2 4.22Å; F66-F70 WeakPolarHBondContact O-CB 3.44Å; F66-F70 PolarHBondContact O-N 3.02Å; V67-F70 PolarHBondContact O-N 3.3Å; F70-K72 VanDerWaalsContact C-N 3.28Å; F70-K72 PolarHBondContact O-N 2.96Å; F70-K73 PolarHBondContact O-N 3.45Å; F70-T74 HydrophobicContact CD1-CG2 3.87Å; F70-T74 HydrophobicContact CE1-CG2 3.53Å; F70-T74 HydrophobicContact CZ-CG2 4.31Å; F70-T74 PolarHBondContact O-N 3.4Å; F70-T74 PolarHBondContact O-OG1 3.06Å; F70-N105 VanDerWaalsContact CE2-O 3.28Å; F70-N105 WeakPolarHBondContact CE2-O 3.47Å; F70-P108 HydrophobicContact CE1-CB 4.36Å; F70-P108 HydrophobicContact CE2-CB 4.39Å; F70-P108 HydrophobicContact CZ-CB 3.91Å; F70-Q210 HydrophobicContact CE1-CB 3.7Å; F70-Q210 HydrophobicContact CZ-CB 3.81Å; F70-M211 HydrophobicContact CB-CE 3.84Å; F70-M211 HydrophobicContact CD1-CE 3.38Å; F70-M211 HydrophobicContact CD1-CG 3.67Å; F70-M211 HydrophobicContact CD1-SD 4.41Å; F70-M211 HydrophobicContact CD2-CG 4.28Å; F70-M211 HydrophobicContact CE1-CB 4.44Å; F70-M211 HydrophobicContact CE1-CE 4.11Å; F70-M211 HydrophobicContact CE1-CG 3.45Å; F70-M211 VanDerWaalsContact CE1-CG 3.45Å; F70-M211 HydrophobicContact CE2-CG 4.1Å; F70-M211 HydrophobicContact CG-CE 3.71Å; F70-M211 HydrophobicContact CG-CG 4.08Å; F70-M211 HydrophobicContact CZ-CB 4.38Å; F70-M211 HydrophobicContact CZ-CG 3.7Å
71S92.6Very high91.7Very high0 Ų054.4 Ų54.40%030%0.3CS..Hα-helixtrans-65.3-30177.5-60.70000112.9V67 E69 T74 G75 D76 Y77V67-S71 WeakPolarHBondContact O-CB 3.34Å; V67-S71 PolarHBondContact O-N 3.49Å; V67-S71 PolarHBondContact O-OG 2.93Å; E69-S71 VanDerWaalsContact C-N 3.34Å; E69-S71 PolarHBondContact O-N 3.11Å; S71-T74 VanDerWaalsContact CA-OG1 3.27Å; S71-T74 WeakPolarHBondContact CA-OG1 3.36Å; S71-T74 PolarHBondContact O-OG1 3.5Å; S71-G75 PolarHBondContact O-N 3.09Å; S71-G75 VanDerWaalsContact O-N 3.13Å; S71-D76 PolarHBondContact O-N 2.9Å; S71-D76 VanDerWaalsContact O-N 3.14Å; S71-Y77 PolarHBondContact O-N 3.02Å; S71-Y77 VanDerWaalsContact O-N 3.11Å
72K91.5Very high91.6Very high129 Ų12957.4 Ų57.456%0.56130%0.302SS*.Hα-helixtrans-73.4-39.7173-73.6169.5-176.5174.40111.6T68 E69 F70 G75 Y77T68-K72 VanDerWaalsContact O-CG 3.29Å; T68-K72 WeakPolarHBondContact O-CG 3.2Å; T68-K72 PolarHBondContact O-N 3.41Å; E69-K72 WeakPolarHBondContact O-CB 3.24Å; E69-K72 PolarHBondContact O-N 2.78Å; F70-K72 VanDerWaalsContact C-N 3.28Å; F70-K72 PolarHBondContact O-N 2.96Å; K72-G75 PolarHBondContact O-N 2.96Å; K72-Y77 HydrophobicContact CG-CD1 4.41Å; K72-Y77 HydrophobicContact CG-CD2 4.42Å; K72-Y77 HydrophobicContact CG-CG 4.06Å
73K88.2Confident91.6Very high106 Ų10654.2 Ų54.246%0.46128%0.28SS..Hα-helixtrans-65.1-39.7176.2-66.8-177.2-175-175.50112.1E69 F70 E107 P108E69-K73 WeakPolarHBondContact O-CG 3.46Å; E69-K73 PolarHBondContact O-N 3.04Å; F70-K73 PolarHBondContact O-N 3.45Å; K73-E107 IonicContact NZ-OE1 2.59Å; K73-E107 PolarHBondContact NZ-OE1 3.22Å; K73-P108 HydrophobicContact CB-CG 3.66Å
74T85Confident91.6Very high28 Ų2854.7 Ų54.717%0.17228%0.283CS..Hα-helixtrans-72.7-26.2175.3490000113.4F70 S71 P108 Q210F70-T74 HydrophobicContact CD1-CG2 3.87Å; F70-T74 HydrophobicContact CE1-CG2 3.53Å; F70-T74 HydrophobicContact CZ-CG2 4.31Å; F70-T74 PolarHBondContact O-N 3.4Å; F70-T74 PolarHBondContact O-OG1 3.06Å; S71-T74 VanDerWaalsContact CA-OG1 3.27Å; S71-T74 WeakPolarHBondContact CA-OG1 3.36Å; S71-T74 PolarHBondContact O-OG1 3.5Å; T74-P108 HydrophobicContact CG2-CB 3.56Å; T74-P108 HydrophobicContact CG2-CG 4.02Å; T74-Q210 HydrophobicContact CG2-CB 4.12Å; T74-Q210 HydrophobicContact CG2-CG 4.26Å
75G82.5Confident91.6Very high34 Ų3453.7 Ų53.735%0.35128%0.277SS..THydrogen-bonded Turntrans87.19.3-177.800000114.7S71 K72 T241S71-G75 PolarHBondContact O-N 3.09Å; S71-G75 VanDerWaalsContact O-N 3.13Å; K72-G75 PolarHBondContact O-N 2.96Å; G75-T241 WeakPolarHBondContact O-CG2 3.17Å; G75-T241 PolarHBondContact O-OG1 3.05Å
76D85.1Confident91.6Very high3 Ų348.3 Ų48.32%0.01626%0.255CS..  trans-92.5-7.8-179.3-75.2-35.9000113.8S71 A78 T79 L80 T207 K228S71-D76 PolarHBondContact O-N 2.9Å; S71-D76 VanDerWaalsContact O-N 3.14Å; D76-A78 PolarHBondContact O-N 3.32Å; D76-A78 VanDerWaalsContact O-N 3.12Å; D76-T79 PolarHBondContact O-N 3.14Å; D76-T79 PolarHBondContact O-OG1 2.95Å; D76-L80 HydrophobicContact CB-CD1 4.49Å; D76-L80 WeakPolarHBondContact O-CG 3.31Å; D76-L80 PolarHBondContact O-N 3.12Å; D76-T207 HydrophobicContact CB-CG2 3.91Å; D76-K228 WeakPolarHBondContact OD1-CE 3.45Å; D76-K228 IonicContact OD1-NZ 2.81Å; D76-K228 PolarHBondContact OD1-NZ 3.06Å; D76-K228 IonicContact OD2-NZ 3.07Å; D76-K228 PolarHBondContact OD2-NZ 3.3Å
77Y90.4Very high91.6Very high109 Ų10946 Ų4643%0.42724%0.244SC..THydrogen-bonded Turntrans-52.3-37.6177.9-177.9-101.9000114.1S71 K72 T79 L80 L85S71-Y77 PolarHBondContact O-N 3.02Å; S71-Y77 VanDerWaalsContact O-N 3.11Å; K72-Y77 HydrophobicContact CG-CD1 4.41Å; K72-Y77 HydrophobicContact CG-CD2 4.42Å; K72-Y77 HydrophobicContact CG-CG 4.06Å; Y77-T79 PolarHBondContact O-N 3.33Å; Y77-L80 PolarHBondContact O-N 3Å; Y77-L85 HydrophobicContact CD2-CD1 4.48Å; Y77-L85 HydrophobicContact CD2-CD2 4.33Å; Y77-L85 HydrophobicContact CE2-CD1 3.86Å; Y77-L85 HydrophobicContact CE2-CD2 4.43Å
78A87.7Confident91.7Very high83 Ų8346 Ų4669%0.68624%0.244SC*.THydrogen-bonded Turntrans-70.4-17.3-178.300000114D76D76-A78 PolarHBondContact O-N 3.32Å; D76-A78 VanDerWaalsContact O-N 3.12Å
79T86Confident91.7Very high42 Ų4244.2 Ų44.226%0.25823%0.234SC..THydrogen-bonded Turntrans-99.5-20.5177.9450000113.1D76 Y77 N242D76-T79 PolarHBondContact O-N 3.14Å; D76-T79 PolarHBondContact O-OG1 2.95Å; Y77-T79 PolarHBondContact O-N 3.33Å; T79-N242 HydrophobicContact CG2-CB 3.93Å
80L91.6Very high91.7Very high18 Ų1838.9 Ų38.99%0.09421%0.209CC..  trans-80.5135.6-178.2-66.9167.8000111.4D76 Y77 D84 L85 L88 A203 V204 T207D76-L80 HydrophobicContact CB-CD1 4.49Å; D76-L80 WeakPolarHBondContact O-CG 3.31Å; D76-L80 PolarHBondContact O-N 3.12Å; Y77-L80 PolarHBondContact O-N 3Å; L80-D84 HydrophobicContact CB-CB 4.27Å; L80-D84 HydrophobicContact CD2-CB 3.8Å; L80-L85 HydrophobicContact CB-CD2 4.43Å; L80-L85 HydrophobicContact CB-CG 4.47Å; L80-L85 HydrophobicContact CD1-CD2 4.25Å; L80-L88 HydrophobicContact CD1-CD1 3.93Å; L80-L88 HydrophobicContact CD2-CD1 4.27Å; L80-A203 HydrophobicContact CD2-CB 3.76Å; L80-A203 HydrophobicContact CG-CB 4.31Å; L80-V204 HydrophobicContact CD2-CG2 3.79Å; L80-T207 HydrophobicContact CD1-CG2 4.02Å
81S93.2Very high91.8Very high44 Ų4438.8 Ų38.831%0.30821%0.209SC..  trans-83.6173.2172.777.70000111.9A83 D84 L85S81-A83 VanDerWaalsContact C-N 3.29Å; S81-A83 PolarHBondContact O-N 3.36Å; S81-A83 PolarHBondContact OG-N 2.78Å; S81-D84 WeakPolarHBondContact CA-OD2 3.43Å; S81-D84 VanDerWaalsContact CB-OD2 3.22Å; S81-D84 WeakPolarHBondContact CB-OD2 3.34Å; S81-D84 PolarHBondContact N-OD2 3.32Å; S81-D84 PolarHBondContact O-N 2.75Å; S81-D84 PolarHBondContact OG-N 2.96Å; S81-D84 PolarHBondContact OG-OD2 2.88Å; S81-L85 WeakPolarHBondContact O-CG 3.36Å; S81-L85 PolarHBondContact O-N 3.35Å
82K93.2Very high91.9Very high149 Ų14939.7 Ų39.765%0.64821%0.213SC*.Hα-helixtrans-60.2-40.3172.5-175.3-173.1174.1-162.90111.8D84 L85 N86K82-D84 VanDerWaalsContact C-N 3.32Å; K82-L85 PolarHBondContact O-N 3.26Å; K82-N86 PolarHBondContact O-N 2.78Å; K82-N86 VanDerWaalsContact O-N 3.11Å
83A94.6Very high92.1Very high10 Ų1034.6 Ų34.68%0.08320%0.195CC..Hα-helixtrans-63.1-41.9178.500000110.6D33 S81 N86 L87D33-A83 HydrophobicContact CB-CB 4.04Å; S81-A83 VanDerWaalsContact C-N 3.29Å; S81-A83 PolarHBondContact O-N 3.36Å; S81-A83 PolarHBondContact OG-N 2.78Å; A83-N86 PolarHBondContact O-N 3.39Å; A83-L87 WeakPolarHBondContact O-CB 3.16Å; A83-L87 PolarHBondContact O-N 2.9Å
84D95.2Very high92.4Very high16 Ų1630.1 Ų30.19%0.08618%0.176CC..Hα-helixtrans-65.3-42.3178.5-54.9-43.7000112.3L80 S81 K82 N86 L87 L88 V204L80-D84 HydrophobicContact CB-CB 4.27Å; L80-D84 HydrophobicContact CD2-CB 3.8Å; S81-D84 WeakPolarHBondContact CA-OD2 3.43Å; S81-D84 VanDerWaalsContact CB-OD2 3.22Å; S81-D84 WeakPolarHBondContact CB-OD2 3.34Å; S81-D84 PolarHBondContact N-OD2 3.32Å; S81-D84 PolarHBondContact O-N 2.75Å; S81-D84 PolarHBondContact OG-N 2.96Å; S81-D84 PolarHBondContact OG-OD2 2.88Å; K82-D84 VanDerWaalsContact C-N 3.32Å; D84-N86 VanDerWaalsContact C-N 3.29Å; D84-N86 PolarHBondContact O-N 3.45Å; D84-L87 WeakPolarHBondContact O-CB 3.44Å; D84-L87 PolarHBondContact O-N 2.81Å; D84-L88 WeakPolarHBondContact O-CB 3.34Å; D84-L88 VanDerWaalsContact O-CG 3.26Å; D84-L88 WeakPolarHBondContact O-CG 3.39Å; D84-L88 PolarHBondContact O-N 3.08Å; D84-V204 HydrophobicContact CB-CG2 3.96Å
85L95.7Very high92.8Very high20 Ų2028.8 Ų28.811%0.10517%0.168CC..Hα-helixtrans-61.6-40.1176-70.3172.2000111.7V67 T68 Y77 L80 S81 K82 A89V67-L85 HydrophobicContact CG1-CD2 4.2Å; T68-L85 HydrophobicContact CG2-CD1 4.37Å; T68-L85 HydrophobicContact CG2-CD2 4.26Å; Y77-L85 HydrophobicContact CD2-CD1 4.48Å; Y77-L85 HydrophobicContact CD2-CD2 4.33Å; Y77-L85 HydrophobicContact CE2-CD1 3.86Å; Y77-L85 HydrophobicContact CE2-CD2 4.43Å; L80-L85 HydrophobicContact CB-CD2 4.43Å; L80-L85 HydrophobicContact CB-CG 4.47Å; L80-L85 HydrophobicContact CD1-CD2 4.25Å; S81-L85 WeakPolarHBondContact O-CG 3.36Å; S81-L85 PolarHBondContact O-N 3.35Å; K82-L85 PolarHBondContact O-N 3.26Å; L85-A89 WeakPolarHBondContact O-CB 3.39Å; L85-A89 PolarHBondContact O-N 2.98Å
86N95.8Very high93.3Very high20 Ų2029.9 Ų29.911%0.10717%0.168CC..Hα-helixtrans-70.7-38.6177.6-71.9-7.6000111.9V31 D33 P59 L64 K82 A83 D84 A89 A90V31-N86 HydrophobicContact CG1-CB 3.94Å; D33-N86 PolarHBondContact OD2-ND2 3.36Å; P59-N86 HydrophobicContact CG-CB 4Å; L64-N86 WeakPolarHBondContact CD2-OD1 3.41Å; K82-N86 PolarHBondContact O-N 2.78Å; K82-N86 VanDerWaalsContact O-N 3.11Å; A83-N86 PolarHBondContact O-N 3.39Å; D84-N86 VanDerWaalsContact C-N 3.29Å; D84-N86 PolarHBondContact O-N 3.45Å; N86-A89 PolarHBondContact O-N 3.17Å; N86-A90 PolarHBondContact O-N 2.94Å
87L96.3Very high93.7Very high0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-60.1-52.2172.3-173.687.7000110.9V9 D11 V31 V34 A83 D84 A89 A90 V91 V204V9-L87 HydrophobicContact CG1-CD1 3.72Å; V9-L87 HydrophobicContact CG1-CG 4.29Å; D11-L87 HydrophobicContact CB-CD2 3.85Å; V31-L87 HydrophobicContact CG2-CD1 4.48Å; V34-L87 HydrophobicContact CG2-CD1 4.07Å; A83-L87 WeakPolarHBondContact O-CB 3.16Å; A83-L87 PolarHBondContact O-N 2.9Å; D84-L87 WeakPolarHBondContact O-CB 3.44Å; D84-L87 PolarHBondContact O-N 2.81Å; L87-A89 VanDerWaalsContact C-N 3.29Å; L87-A89 PolarHBondContact O-N 3.47Å; L87-A90 WeakPolarHBondContact O-CB 3.46Å; L87-A90 PolarHBondContact O-N 3.12Å; L87-A90 VanDerWaalsContact O-N 3.1Å; L87-V91 WeakPolarHBondContact O-CG2 3.15Å; L87-V91 PolarHBondContact O-N 3.3Å; L87-V204 HydrophobicContact CD2-CG1 4.24Å
88L96.2Very high93.8Very high0 Ų035.8 Ų35.80%020%0.196CC..Hα-helixtrans-57.9-41.3177.7-74.3173.6000111.8V67 L80 D84 V91 H92 V204 T207 L208V67-L88 HydrophobicContact CG1-CB 3.53Å; V67-L88 HydrophobicContact CG1-CD1 3.91Å; V67-L88 HydrophobicContact CG1-CG 4.37Å; V67-L88 HydrophobicContact CG2-CB 4.26Å; L80-L88 HydrophobicContact CD1-CD1 3.93Å; L80-L88 HydrophobicContact CD2-CD1 4.27Å; D84-L88 WeakPolarHBondContact O-CB 3.34Å; D84-L88 VanDerWaalsContact O-CG 3.26Å; D84-L88 WeakPolarHBondContact O-CG 3.39Å; D84-L88 PolarHBondContact O-N 3.08Å; L88-V91 PolarHBondContact O-N 3.3Å; L88-H92 WeakPolarHBondContact O-CB 3.41Å; L88-H92 PolarHBondContact O-N 2.97Å; L88-V204 HydrophobicContact CD2-CG1 3.75Å; L88-V204 HydrophobicContact CG-CG1 4.29Å; L88-T207 WeakPolarHBondContact CD1-OG1 3.48Å; L88-T207 WeakPolarHBondContact CD2-OG1 3.25Å; L88-L208 HydrophobicContact CD2-CD1 4.15Å; L88-L208 HydrophobicContact CD2-CD2 3.51Å; L88-L208 HydrophobicContact CD2-CG 3.5Å
89A96.4Very high93.9Very high0 Ų034.7 Ų34.70%018%0.179CC..Hα-helixtrans-65.6-36.6176.200000112.7P59 S63 L64 V67 L85 N86 L87 H92 A93P59-A89 HydrophobicContact CB-CB 3.73Å; S63-A89 WeakPolarHBondContact CB-O 3.47Å; L64-A89 HydrophobicContact CB-CB 4.4Å; L64-A89 HydrophobicContact CD2-CB 3.43Å; L64-A89 VanDerWaalsContact CD2-CB 3.43Å; L64-A89 HydrophobicContact CG-CB 3.66Å; V67-A89 HydrophobicContact CG2-CB 4.42Å; L85-A89 WeakPolarHBondContact O-CB 3.39Å; L85-A89 PolarHBondContact O-N 2.98Å; N86-A89 PolarHBondContact O-N 3.17Å; L87-A89 VanDerWaalsContact C-N 3.29Å; L87-A89 PolarHBondContact O-N 3.47Å; A89-H92 PolarHBondContact O-N 2.95Å; A89-A93 WeakPolarHBondContact O-CB 3.48Å; A89-A93 PolarHBondContact O-N 2.85Å
90A95.5Very high93.9Very high2 Ų234.1 Ų34.12%0.01718%0.181CC..Hα-helixtrans-66.1-41.3173.500000111.8V31 L57 N86 L87 A93 L94V31-A90 HydrophobicContact CG2-CB 3.75Å; L57-A90 HydrophobicContact CB-CB 4.33Å; L57-A90 HydrophobicContact CD1-CB 4.3Å; N86-A90 PolarHBondContact O-N 2.94Å; L87-A90 WeakPolarHBondContact O-CB 3.46Å; L87-A90 PolarHBondContact O-N 3.12Å; L87-A90 VanDerWaalsContact O-N 3.1Å; A90-A93 PolarHBondContact O-N 3.14Å; A90-L94 WeakPolarHBondContact O-CG 3.49Å; A90-L94 PolarHBondContact O-N 3.16Å
91V95.6Very high93.4Very high1 Ų137.3 Ų37.31%0.00621%0.205CC..Hα-helixtrans-62-46.4174.1-175.90000110.4V9 L87 L88 A93 L94 A95 V195 C197 L208 L213V9-V91 HydrophobicContact CB-CG2 3.78Å; V9-V91 HydrophobicContact CG1-CG2 3.87Å; V9-V91 HydrophobicContact CG2-CG2 3.83Å; L87-V91 WeakPolarHBondContact O-CG2 3.15Å; L87-V91 PolarHBondContact O-N 3.3Å; L88-V91 PolarHBondContact O-N 3.3Å; V91-A93 PolarHBondContact O-N 2.81Å; V91-L94 PolarHBondContact O-N 2.83Å; V91-A95 WeakPolarHBondContact O-CB 3.28Å; V91-A95 PolarHBondContact O-N 2.8Å; V91-V195 HydrophobicContact CG1-CG1 4.36Å; V91-C197 HydrophobicContact CG1-CB 4.38Å; V91-C197 HydrophobicContact CG2-CB 3.83Å; V91-L208 HydrophobicContact CB-CD2 4.23Å; V91-L208 HydrophobicContact CG1-CD2 3.9Å; V91-L213 HydrophobicContact CG1-CD1 4.03Å
92H95.3Very high92.6Very high20 Ų2041.4 Ų41.49%0.09323%0.232CC..Hα-helixtrans-59.5-46.2177.4177.2-92000111.8S63 F66 V67 L88 A89 L94 A95 V96S63-H92 WeakPolarHBondContact CB-ND1 3.15Å; S63-H92 PolarHBondContact OG-ND1 3.05Å; F66-H92 AromaticContact CD1-CD2 3.48Å; F66-H92 VanDerWaalsContact CD1-CD2 3.48Å; F66-H92 WeakPolarHBondContact CD1-CD2 3.33Å; F66-H92 AromaticContact CD1-CE1 3.92Å; F66-H92 AromaticContact CD1-NE2 3.34Å; F66-H92 VanDerWaalsContact CD1-NE2 3.34Å; F66-H92 WeakPolarHBondContact CD1-NE2 3.41Å; F66-H92 AromaticContact CE1-CD2 3.57Å; F66-H92 AromaticContact CE1-NE2 3.53Å; F66-H92 AromaticContact CG-NE2 3.91Å; V67-H92 HydrophobicContact CG2-CB 4.11Å; L88-H92 WeakPolarHBondContact O-CB 3.41Å; L88-H92 PolarHBondContact O-N 2.97Å; A89-H92 PolarHBondContact O-N 2.95Å; H92-L94 PolarHBondContact O-N 3.09Å; H92-A95 PolarHBondContact O-N 3.3Å; H92-V96 WeakPolarHBondContact O-CG2 3.38Å; H92-V96 PolarHBondContact O-N 3.45Å
93A94.8Very high92.1Very high22 Ų2237.2 Ų37.218%0.18222%0.222CC..Hα-helixtrans-60.2-43.8178.200000112.2A89 A90 V91 K97A89-A93 WeakPolarHBondContact O-CB 3.48Å; A89-A93 PolarHBondContact O-N 2.85Å; A90-A93 PolarHBondContact O-N 3.14Å; V91-A93 PolarHBondContact O-N 2.81Å; A93-K97 WeakPolarHBondContact O-CB 3.49Å; A93-K97 PolarHBondContact O-N 2.81Å
94L94.3Very high91.8Very high11 Ų1137.4 Ų37.46%0.05822%0.221CC..Hα-helixtrans-65.6-40.3174.6-72.4-178.6000112.3V9 Y29 L57 A90 V91 H92 K97 H98 V195V9-L94 HydrophobicContact CG2-CD1 3.51Å; Y29-L94 HydrophobicContact CD2-CD1 3.74Å; Y29-L94 HydrophobicContact CE2-CD1 4.2Å; Y29-L94 HydrophobicContact CG-CD1 3.97Å; L57-L94 HydrophobicContact CD1-CD1 3.73Å; L57-L94 HydrophobicContact CD1-CD2 4.1Å; L57-L94 HydrophobicContact CD1-CG 3.89Å; A90-L94 WeakPolarHBondContact O-CG 3.49Å; A90-L94 PolarHBondContact O-N 3.16Å; V91-L94 PolarHBondContact O-N 2.83Å; H92-L94 PolarHBondContact O-N 3.09Å; L94-K97 PolarHBondContact O-N 2.93Å; L94-H98 PolarHBondContact O-CD2 2.59Å; L94-H98 VanDerWaalsContact O-CD2 3.3Å; L94-H98 PolarHBondContact O-N 2.93Å; L94-V195 HydrophobicContact CB-CG1 4.27Å
95A93.7Very high91.4Very high0 Ų039.4 Ų39.40%023%0.232CC..Hα-helixtrans-63.2-45.3177.900000111.3V91 H92 K97 H98 L99 G100 I104 L213V91-A95 WeakPolarHBondContact O-CB 3.28Å; V91-A95 PolarHBondContact O-N 2.8Å; H92-A95 PolarHBondContact O-N 3.3Å; A95-K97 VanDerWaalsContact C-N 3.3Å; A95-K97 PolarHBondContact O-N 2.88Å; A95-H98 PolarHBondContact O-N 2.96Å; A95-L99 WeakPolarHBondContact O-CA 3.35Å; A95-L99 WeakPolarHBondContact O-CB 3.41Å; A95-L99 PolarHBondContact O-N 3Å; A95-G100 PolarHBondContact O-N 3.36Å; A95-I104 HydrophobicContact CB-CD1 3.86Å; A95-L213 HydrophobicContact CB-CD1 4.43Å; A95-L213 HydrophobicContact CB-CD2 3.54Å
96V93.8Very high91Very high58 Ų5846 Ų4635%0.35226%0.262SS..Hα-helixtrans-60.7-40.8174.8173.30000111.1H92 G100 I104H92-V96 WeakPolarHBondContact O-CG2 3.38Å; H92-V96 PolarHBondContact O-N 3.45Å; V96-G100 WeakPolarHBondContact O-CA 3.41Å; V96-G100 PolarHBondContact O-N 3.46Å; V96-I104 HydrophobicContact CG2-CD1 3.73Å
97K93Very high90.4Very high161 Ų16149.4 Ų49.470%0.728%0.277SS*.Hα-helixtrans-66.2-38.3179.8-173.7179.2179.7-178.30113.6A93 L94 A95A93-K97 WeakPolarHBondContact O-CB 3.49Å; A93-K97 PolarHBondContact O-N 2.81Å; L94-K97 PolarHBondContact O-N 2.93Å; A95-K97 VanDerWaalsContact C-N 3.3Å; A95-K97 PolarHBondContact O-N 2.88Å
98H92.3Very high89.8Confident74 Ų7450 Ų5034%0.34328%0.281SS..Hα-helixtrans-107.2-31.8-170.5-70.2-75.9000115H7 L94 A95 T194 V195H7-H98 AromaticContact CD2-CD2 3.8Å; H7-H98 AromaticContact CD2-CE1 3.79Å; H7-H98 AromaticContact CD2-CG 3.87Å; H7-H98 AromaticContact CD2-ND1 3.87Å; H7-H98 AromaticContact CD2-NE2 3.8Å; H7-H98 AromaticContact CE1-CE1 3.62Å; H7-H98 AromaticContact CE1-NE2 3.76Å; H7-H98 AromaticContact NE2-CD2 3.98Å; H7-H98 AromaticContact NE2-CE1 3.17Å; H7-H98 PolarHBondContact NE2-CE1 3.3Å; H7-H98 AromaticContact NE2-CG 3.96Å; H7-H98 AromaticContact NE2-ND1 3.47Å; H7-H98 PolarHBondContact NE2-ND1 2.9Å; H7-H98 AromaticContact NE2-NE2 3.54Å; L94-H98 PolarHBondContact O-CD2 2.59Å; L94-H98 VanDerWaalsContact O-CD2 3.3Å; L94-H98 PolarHBondContact O-N 2.93Å; A95-H98 PolarHBondContact O-N 2.96Å; H98-T194 HydrophobicContact CB-CG2 3.97Å; H98-V195 HydrophobicContact CB-CG2 4.06Å
99L89.3Confident88.9Confident61 Ų6153.9 Ų53.932%0.31930%0.301SS..Hα-helixtrans-102.6-17.7178.7-7183.8000112.7A95 S103 T194 V195A95-L99 WeakPolarHBondContact O-CA 3.35Å; A95-L99 WeakPolarHBondContact O-CB 3.41Å; A95-L99 PolarHBondContact O-N 3Å; L99-S103 PolarHBondContact O-OG 3.38Å; L99-T194 HydrophobicContact CD1-CG2 4.18Å; L99-V195 HydrophobicContact CD1-CB 3.79Å; L99-V195 HydrophobicContact CD1-CG2 3.44Å; L99-V195 VanDerWaalsContact CD1-CG2 3.44Å
100G86.8Confident87.3Confident29 Ų2961.2 Ų61.230%0.29933%0.333SS..  trans79.3161.4-170.200000112.8A95 V96 C102A95-G100 PolarHBondContact O-N 3.36Å; V96-G100 WeakPolarHBondContact O-CA 3.41Å; V96-G100 PolarHBondContact O-N 3.46Å; G100-C102 VanDerWaalsContact C-N 3.28Å; G100-C102 PolarHBondContact O-N 3.26Å
101S80.8Confident85.2Confident86 Ų8663 Ų6360%0.60135%0.348SS*.G310 helixtrans-67.4-23.8-17653.10000114.1S103 I104S101-S103 PolarHBondContact O-N 3.06Å; S101-I104 PolarHBondContact O-N 3.37Å
102C76.7Confident82.7Confident130 Ų13069.1 Ų69.188%0.87838%0.381SS*.G310 helixtrans-67.5-20-176.3-55.90000114G100 I104G100-C102 VanDerWaalsContact C-N 3.28Å; G100-C102 PolarHBondContact O-N 3.26Å; C102-I104 VanDerWaalsContact C-N 3.3Å
103S81.6Confident80.4Confident61 Ų6178.7 Ų78.743%0.42742%0.422SS..G310 helixtrans-84.4-5.6-177.6-55.90000113.2L99 S101L99-S103 PolarHBondContact O-OG 3.38Å; S101-S103 PolarHBondContact O-N 3.06Å
104I87.9Confident77.9Confident14 Ų1481.1 Ų81.17%0.07244%0.442CS..SBendtrans-109.9130.2-172.3-54.4176.5000108.7F66 A95 V96 S101 C102 E106 M211 L213F66-I104 HydrophobicContact CE1-CG2 4.18Å; F66-I104 HydrophobicContact CZ-CG2 4.19Å; A95-I104 HydrophobicContact CB-CD1 3.86Å; V96-I104 HydrophobicContact CG2-CD1 3.73Å; S101-I104 PolarHBondContact O-N 3.37Å; C102-I104 VanDerWaalsContact C-N 3.3Å; I104-E106 PolarHBondContact O-N 2.78Å; I104-M211 WeakPolarHBondContact CA-O 3.42Å; I104-M211 HydrophobicContact CG2-CB 4.29Å; I104-L213 HydrophobicContact CG1-CD2 4.25Å
105N87.4Confident75.2Confident58 Ų5885.1 Ų85.131%0.3146%0.463SS..  trans-70.7125.2177.1-64.3-29.5000110.7F70 Q210 M211F70-N105 VanDerWaalsContact CE2-O 3.28Å; F70-N105 WeakPolarHBondContact CE2-O 3.47Å; N105-Q210 PolarHBondContact ND2-O 2.99Å; N105-M211 PolarHBondContact N-O 2.83Å
106E86.9Confident72.7Confident159 Ų15991.3 Ų91.374%0.74350%0.495SS*.SBendtrans-73.5-30.3176.3-64.4-173.7169.600113I104I104-E106 PolarHBondContact O-N 2.78Å
107E84.9Confident70.4Confident90 Ų9090.9 Ų90.942%0.42150%0.495SS..SBendtrans-124.3144.5175.5-57.1-141.9131.100110.4K73 K110K73-E107 IonicContact NZ-OE1 2.59Å; K73-E107 PolarHBondContact NZ-OE1 3.22Å; E107-K110 IonicContact OE2-NZ 2.6Å; E107-K110 PolarHBondContact OE2-NZ 2.9Å
108P83.4Confident68Low14 Ų1488.6 Ų88.69%0.09150%0.497CS..PPolyproline II helixtrans-66147.917229.7-34.8000110.3F70 K73 T74 K110 Q210F70-P108 HydrophobicContact CE1-CB 4.36Å; F70-P108 HydrophobicContact CE2-CB 4.39Å; F70-P108 HydrophobicContact CZ-CB 3.91Å; K73-P108 HydrophobicContact CB-CG 3.66Å; T74-P108 HydrophobicContact CG2-CB 3.56Å; T74-P108 HydrophobicContact CG2-CG 4.02Å; P108-K110 PolarHBondContact O-N 3.05Å; P108-Q210 HydrophobicContact CB-CB 4.48Å
109L75.7Confident65.7Low80 Ų8087.2 Ų87.242%0.41950%0.502SS..PPolyproline II helixtrans-65.3124.6178.9-57.6172.8000109
110K62.8Low63.5Low155 Ų15592.2 Ų92.267%0.67452%0.524SS*.PPolyproline II helixtrans-88.9149.9-174.7-69.9173.1-170.8150.80111.2E107 P108E107-K110 IonicContact OE2-NZ 2.6Å; E107-K110 PolarHBondContact OE2-NZ 2.9Å; P108-K110 PolarHBondContact O-N 3.05Å
111A52.1Low61.8Low39 Ų3994.1 Ų94.132%0.32253%0.531SS..PPolyproline II helixtrans-90.1133.5179.500000113.3A268 I269A111-A268 HydrophobicContact CB-CB 4.21Å; A111-I269 HydrophobicContact CB-CB 3.74Å; A111-I269 HydrophobicContact CB-CG1 4.24Å
112D43Very low60.4Low129 Ų12994.7 Ų94.769%0.6952%0.524SS*.PPolyproline II helixtrans-74.4130.2157.9-70.4-31.5000109.4A114D112-A114 PolarHBondContact O-N 3.49Å
113K47.1Very low59.5Low222 Ų22292.6 Ų92.697%0.96550%0.504SS*.THydrogen-bonded Turntrans-67.47.9-169.6-66177.4179.9172.90115.3
114A42Very low58.6Low73 Ų7392.2 Ų92.260%0.60351%0.51SS*.THydrogen-bonded Turntrans-114.4-12.1-156.900000117.1D112 I116D112-A114 PolarHBondContact O-N 3.49Å; A114-I116 PolarHBondContact O-N 3.41Å
115N37.7Very low57.9Low94 Ų9498 Ų9850%0.50354%0.539SS..  trans-90.9102.6-173-71.9-9.1000112.3D264 V270N115-D264 PolarHBondContact ND2-OD2 3.01Å; N115-D264 VanDerWaalsContact ND2-OD2 3.14Å; N115-V270 HydrophobicContact CB-CG2 3.93Å; N115-V270 WeakPolarHBondContact O-CG1 3.37Å
116I41.7Very low57.1Low130 Ų13098.8 Ų98.867%0.66755%0.547SS*.  trans-99.295171.4-58.3167000107.3A114A114-I116 PolarHBondContact O-N 3.41Å
117S44.2Very low56.6Low50 Ų5093.4 Ų93.435%0.3553%0.533SS..  trans-96128.5167.647.30000110G119 H272S117-G119 PolarHBondContact O-N 2.87Å; S117-H272 PolarHBondContact O-ND1 3.44Å; S117-H272 PolarHBondContact OG-CE1 3.03Å; S117-H272 PolarHBondContact OG-ND1 2.89Å
118P43.4Very low56.4Low113 Ų11394.8 Ų94.873%0.73454%0.538SS*.  trans-68.5100.7178.227-31.4000109.3H120P118-H120 PolarHBondContact O-N 3.27Å; P118-H120 VanDerWaalsContact O-N 3.11Å
119G44.3Very low56.1Low45 Ų45100.9 Ų100.946%0.46456%0.56SS.*  trans-61.6113.9174.600000110.5S117S117-G119 PolarHBondContact O-N 2.87Å
120H43.6Very low55.9Low166 Ų16699.4 Ų99.477%0.76956%0.555SS**  trans-63.1132161.3-125.3-78.2000107.3P118 E122P118-H120 PolarHBondContact O-N 3.27Å; P118-H120 VanDerWaalsContact O-N 3.11Å; H120-E122 PolarHBondContact O-N 3.19Å
121P50Low56.5Low69 Ų6996.9 Ų96.945%0.44856%0.555SS.*  trans-71.781.7173.130.5-34000106.9N123P121-N123 PolarHBondContact O-N 2.86Å; P121-N123 VanDerWaalsContact O-N 3.16Å
122E52.9Low57.1Low97 Ų9798.6 Ų98.645%0.45358%0.576SS.*  trans-67.3109.616260.9-170.3163.300106.8H120 G124 K227H120-E122 PolarHBondContact O-N 3.19Å; E122-G124 PolarHBondContact O-N 3.43Å; E122-K227 IonicContact OE1-NZ 2.93Å; E122-K227 PolarHBondContact OE1-NZ 3.16Å; E122-K227 IonicContact OE2-NZ 2.8Å
123N56.2Low57.6Low86 Ų8697.7 Ų97.746%0.4657%0.566SS.*  trans-73.989.8162.1-69.8-18.8000105.5P121 M125 F128P121-N123 PolarHBondContact O-N 2.86Å; P121-N123 VanDerWaalsContact O-N 3.16Å; N123-M125 PolarHBondContact O-N 2.86Å; N123-F128 HydrophobicContact CB-CD1 4Å; N123-F128 WeakPolarHBondContact ND2-CE1 3.27Å
124G63.9Low57Low54 Ų5492.8 Ų92.856%0.55755%0.554SS**  trans-67.323.8172.300000113.6E122 K183E122-G124 PolarHBondContact O-N 3.43Å; G124-K183 PolarHBondContact O-NZ 3.36Å
125M72.1Confident57Low136 Ų13695.3 Ų95.367%0.6756%0.558SS**  trans-83.3117.9178.1-155.386.4-150.100107.2N123 F128N123-M125 PolarHBondContact O-N 2.86Å; M125-F128 HydrophobicContact CB-CB 4.28Å; M125-F128 PolarHBondContact O-N 3.34Å
126P71.5Confident56.8Low74 Ų7497.2 Ų97.248%0.48157%0.572SS.*THydrogen-bonded Turntrans-63.4143.3177.930-30.8000108.9F128 K183P126-F128 VanDerWaalsContact C-N 3.29Å; P126-F128 PolarHBondContact O-N 2.96Å; P126-K183 VanDerWaalsContact CD-CE 3.49Å
127G77.1Confident56.5Low45 Ų4598 Ų9846%0.46458%0.577SS.*THydrogen-bonded Turntrans81.4-2.8-175.200000115.5G172G127-G172 WeakPolarHBondContact CA-O 3.47Å
128F79Confident56Low120 Ų120102.7 Ų102.753%0.52660%0.598SS.*  trans-100.593.9171.3-162.7-91.9000110N123 M125 P126 T130N123-F128 HydrophobicContact CB-CD1 4Å; N123-F128 WeakPolarHBondContact ND2-CE1 3.27Å; M125-F128 HydrophobicContact CB-CB 4.28Å; M125-F128 PolarHBondContact O-N 3.34Å; P126-F128 VanDerWaalsContact C-N 3.29Å; P126-F128 PolarHBondContact O-N 2.96Å; F128-T130 HydrophobicContact CD1-CG2 3.89Å; F128-T130 HydrophobicContact CE1-CG2 3.87Å
129Y77.3Confident55.3Low141 Ų141104.5 Ų104.555%0.55360%0.602SS**  trans-71.7129.3177.9-179.9-107.7000111.2P131 E171Y129-P131 HydrophobicContact CE1-CB 3.71Å; Y129-P131 HydrophobicContact CE1-CG 4.15Å; Y129-E171 VanDerWaalsContact CD2-O 3.29Å; Y129-E171 WeakPolarHBondContact CD2-O 3.35Å
130T72.5Confident54.8Low49 Ų49108.1 Ų108.130%0.30162%0.617SS.*  trans-119.8105.8169.955.10000108.5F128 G132F128-T130 HydrophobicContact CD1-CG2 3.89Å; F128-T130 HydrophobicContact CE1-CG2 3.87Å; T130-G132 PolarHBondContact O-N 3.05Å
131P75.5Confident54.6Low103 Ų103109.4 Ų109.467%0.66962%0.624SS**THydrogen-bonded Turntrans-60.2135.9178.223.1-31000110Y129Y129-P131 HydrophobicContact CE1-CB 3.71Å; Y129-P131 HydrophobicContact CE1-CG 4.15Å
132G63.9Low53.7Low74 Ų74116.3 Ų116.376%0.76365%0.646SS**THydrogen-bonded Turntrans1134.2177.500000116.3T130 T134T130-G132 PolarHBondContact O-N 3.05Å; G132-T134 PolarHBondContact O-N 3.12Å
133K53.2Low52.9Low111 Ų111117 Ų11748%0.48366%0.662SS.*  trans-86.879.9162.2-80.3-174.8172.3-170.70109.2N135K133-N135 PolarHBondContact O-N 2.73Å
134T34.6Very low51.7Low118 Ų118116.9 Ų116.972%0.72467%0.668SS**  trans-70.8119.5158.543.70000107.2G132 V136G132-T134 PolarHBondContact O-N 3.12Å; T134-V136 PolarHBondContact O-N 2.97Å
135N42.1Very low50.7Low126 Ų126121.1 Ų121.167%0.67468%0.683SS**  trans-55.7104.3167.9-74-40.8000107.9K133 L137K133-N135 PolarHBondContact O-N 2.73Å; N135-L137 PolarHBondContact O-N 3.08Å
136V33.5Very low49.5Very low134 Ų134118.8 Ų118.881%0.81268%0.68SS**SBendtrans-75.769171.1-175.20000107.5T134T134-V136 PolarHBondContact O-N 2.97Å
137L35.5Very low48.4Very low146 Ų146122.1 Ų122.176%0.76469%0.689SS**  trans-151.974.5166.5-72.9178.5000105.1N135N135-L137 PolarHBondContact O-N 3.08Å
138N33.4Very low47Very low149 Ų149126.3 Ų126.380%0.79770%0.7SS**SBendtrans163.3106.2150.9-78.7-13.2000108.3
139D30.2Very low45.4Very low152 Ų152123.2 Ų123.281%0.81370%0.702SS**  trans55.8131155.5-54.1-36.7000121.3
140P33.6Very low44.1Very low121 Ų121123.9 Ų123.979%0.78671%0.71SS**  trans-98.7108.6179.935.6-25.2000111
141E38.3Very low43.1Very low193 Ų193131.8 Ų131.890%0.90274%0.735SS**  trans-136.6126159.1-72-162.4165.800112.9
142K31.9Very low41.9Very low213 Ų213133.4 Ų133.493%0.92674%0.737SS**  trans-34.6128175.4-64.2159.5178171.30114
143S35.1Very low41.4Very low112 Ų112138.7 Ų138.778%0.78374%0.739SS**  trans-141.7130.714757.90000110.6
144S31.8Very low41.2Very low83 Ų83142.5 Ų142.558%0.5876%0.756SS**  trans-70.6141.4-167.540.70000113.2S146S144-S146 PolarHBondContact O-N 2.81Å
145V43.2Very low41.6Very low143 Ų143144.4 Ų144.487%0.86776%0.761SS**THydrogen-bonded Turntrans-72.622.3-177.8-154.20000113.7
146S45.6Very low41.4Very low88 Ų88141.8 Ų141.862%0.61576%0.764SS**THydrogen-bonded Turntrans-97.4-17.3-176.445.70000114.5S144S144-S146 PolarHBondContact O-N 2.81Å
147E48.6Very low41.7Very low144 Ų144142.2 Ų142.267%0.67376%0.762SS**THydrogen-bonded Turntrans-87.7-16.6-174.5-83.2178.8149.900115.3G149 E150E147-G149 PolarHBondContact O-N 2.85Å; E147-E150 PolarHBondContact O-N 3.12Å
148L48.5Very low42.1Very low132 Ų132147.1 Ų147.169%0.69177%0.77SS**Hα-helixtrans-71.9-16.8-178.2-70.3173000113.6
149G44.6Very low42.5Very low56 Ų56146.5 Ų146.558%0.57777%0.767SS**Hα-helixtrans-75.1-25.1178.700000114.6E147E147-G149 PolarHBondContact O-N 2.85Å
150E51.2Low43.1Very low154 Ų154146.7 Ų146.772%0.7277%0.768SS**Hα-helixtrans-91-30.7-176.2-73.2-176.7159.600112.8E147 L152 K153E147-E150 PolarHBondContact O-N 3.12Å; E150-L152 PolarHBondContact O-N 3.48Å; E150-K153 PolarHBondContact O-N 3.15Å
151R51.3Low43.5Very low215 Ų215151 Ų15181%0.81178%0.778SS**Hα-helixtrans-66.1-21.7177.6-105.9174.5159.4160.4-6.7114.1K153R151-K153 PolarHBondContact O-N 3.2Å
152L50.4Low43.8Very low138 Ų138145.1 Ų145.172%0.72376%0.762SS**THydrogen-bonded Turntrans-75.5-9.8179.5-131.397.7000113.9E150E150-L152 PolarHBondContact O-N 3.48Å
153K51.9Low44.2Very low184 Ų184143.7 Ų143.780%0.876%0.758SS**THydrogen-bonded Turntrans-88-4.3-179.4-75.7-177.9179.8173.60114.8E150 R151E150-K153 PolarHBondContact O-N 3.15Å; R151-K153 PolarHBondContact O-N 3.2Å
154F49.1Very low44.6Very low191 Ų191146 Ų14684%0.83876%0.76SS**  trans-106.17.6-174.5-106.6-86.3000115.4G156F154-G156 VanDerWaalsContact C-N 3.28Å; F154-G156 PolarHBondContact O-N 3.43Å
155L43.7Very low45.2Very low158 Ų158146.4 Ų146.483%0.82776%0.763SS**  trans-80.976.4175.8-77159000110.5
156G38.6Very low45.6Very low72 Ų72144.2 Ų144.274%0.74275%0.747SS**  trans-163.655.9-178.100000113.6F154F154-G156 VanDerWaalsContact C-N 3.28Å; F154-G156 PolarHBondContact O-N 3.43Å
157D38.7Very low46Very low142 Ų142144.8 Ų144.876%0.75975%0.748SS**  trans-166128.1143.8-149.9-13.4000108.4
158W45.3Very low46.4Very low250 Ų250145.6 Ų145.695%0.94775%0.752SS**  trans-102.565178.7-87.658.6000108.6
159N41.3Very low46.8Very low136 Ų136144 Ų14473%0.72774%0.744SS**  trans-154.675.8174.8-1145.2000109.4
160D41.7Very low47.5Very low155 Ų155147.1 Ų147.183%0.82974%0.744SS**  trans-154112156.2-87-38.6000107.9A162D160-A162 HydrophobicContact CB-CB 4.39Å; D160-A162 PolarHBondContact O-N 3.32Å
161E42.4Very low48.1Very low212 Ų212145.1 Ų145.199%0.99173%0.734SS**  trans-66.177.6157.4-74.4-148.5155.700108.2
162A45.6Very low49Very low70 Ų70136.6 Ų136.658%0.57971%0.713SS**  trans-111.6112.2169.800000108D160 I164D160-A162 HydrophobicContact CB-CB 4.39Å; D160-A162 PolarHBondContact O-N 3.32Å; A162-I164 PolarHBondContact O-N 3Å
163H40.5Very low50.3Low182 Ų182138.9 Ų138.984%0.84371%0.712SS**  trans-38.7106172.3-82.3-90.8000112.9S165H163-S165 PolarHBondContact O-N 2.97Å
164I42.5Very low51.7Low160 Ų160134.9 Ų134.982%0.82170%0.699SS**  trans-90.883160.9-54.2174.5000106.8A162A162-I164 PolarHBondContact O-N 3Å
165S44.9Very low53.3Low92 Ų92127.9 Ų127.964%0.64367%0.672SS**  trans-127.174.1159.161.70000107.3H163 P167H163-S165 PolarHBondContact O-N 2.97Å; S165-P167 WeakPolarHBondContact O-CD 3.27Å
166N50.5Low55.3Low98 Ų98125.9 Ų125.952%0.52467%0.668SS.*  trans-78.3116.9162.6-117.8-1.5000106.3E168 D169N166-E168 PolarHBondContact O-N 3.47Å; N166-D169 VanDerWaalsContact CB-OD2 3.24Å; N166-D169 WeakPolarHBondContact CB-OD2 3.48Å; N166-D169 WeakPolarHBondContact O-CB 3.34Å; N166-D169 PolarHBondContact O-N 3.34Å
167P55.5Low57.2Low99 Ų99125.7 Ų125.764%0.64366%0.659SS**G310 helixtrans-63.1-12.1179.624.8-33000113.1S165 D169S165-P167 WeakPolarHBondContact O-CD 3.27Å; P167-D169 VanDerWaalsContact C-N 3.31Å
168E55.9Low59Low162 Ų162121 Ų12176%0.75764%0.638SS**G310 helixtrans-77.2-15.3172.7-60.8-178.7173.200112.9N166 E170N166-E168 PolarHBondContact O-N 3.47Å; E168-E170 VanDerWaalsContact C-N 3.32Å
169D58Low60.3Low98 Ų98114.8 Ų114.852%0.52462%0.622SS.*G310 helixtrans-87.14.3177.3-65.1-39.9000113.4N166 P167 E171N166-D169 VanDerWaalsContact CB-OD2 3.24Å; N166-D169 WeakPolarHBondContact CB-OD2 3.48Å; N166-D169 WeakPolarHBondContact O-CB 3.34Å; N166-D169 PolarHBondContact O-N 3.34Å; P167-D169 VanDerWaalsContact C-N 3.31Å; D169-E171 VanDerWaalsContact C-N 3.26Å; D169-E171 PolarHBondContact O-N 3.36Å
170E58.6Low61.6Low122 Ų122112.4 Ų112.457%0.5762%0.621SS**G310 helixtrans-78.7-7.2177-66.4-166.6179.100113.4E168 G172 W173E168-E170 VanDerWaalsContact C-N 3.32Å; E170-G172 PolarHBondContact O-N 3.28Å; E170-G172 VanDerWaalsContact O-N 3.13Å; E170-W173 PolarHBondContact O-N 2.94Å
171E64Low62.4Low111 Ų111107.5 Ų107.552%0.51960%0.597SS.*THydrogen-bonded Turntrans-65.9115.1-176.5-163.9173.3-156.300111.7Y129 D169Y129-E171 VanDerWaalsContact CD2-O 3.29Å; Y129-E171 WeakPolarHBondContact CD2-O 3.35Å; D169-E171 VanDerWaalsContact C-N 3.26Å; D169-E171 PolarHBondContact O-N 3.36Å
172G69Low62.9Low36 Ų3699.8 Ų99.837%0.37157%0.566SS.*THydrogen-bonded Turntrans98.1-3.7179.500000115.3G127 E170G127-G172 WeakPolarHBondContact CA-O 3.47Å; E170-G172 PolarHBondContact O-N 3.28Å; E170-G172 VanDerWaalsContact O-N 3.13Å
173W79.2Confident63.2Low187 Ų187101.9 Ų101.971%0.70856%0.562SS**  trans-75.7143.8171.1-7694.4000112.2E170 T175E170-W173 PolarHBondContact O-N 2.94Å; W173-T175 HydrophobicContact CB-CG2 4.17Å; W173-T175 PolarHBondContact O-N 3.47Å
174I80.4Confident63.6Low100 Ų10098.8 Ų98.851%0.51355%0.552SS.*  trans-86.687.6169.7-55.8175.2000108S178 I179I174-S178 VanDerWaalsContact CA-OG 3.31Å; I174-S178 WeakPolarHBondContact CA-OG 3.41Å; I174-I179 HydrophobicContact CG2-CD1 3.9Å; I174-I179 HydrophobicContact CG2-CG1 3.53Å
175T83Confident63.5Low44 Ų4495.9 Ų95.927%0.2754%0.538SS..  trans-85.1158.7173.4630000110.9W173 A177 S178 I179W173-T175 HydrophobicContact CB-CG2 4.17Å; W173-T175 PolarHBondContact O-N 3.47Å; T175-A177 PolarHBondContact O-N 3.42Å; T175-S178 PolarHBondContact N-OG 3.08Å; T175-S178 WeakPolarHBondContact O-CA 3.43Å; T175-S178 WeakPolarHBondContact O-CB 3.44Å; T175-S178 PolarHBondContact O-N 3.35Å; T175-S178 PolarHBondContact O-OG 3.27Å; T175-S178 PolarHBondContact OG1-N 3.02Å; T175-S178 VanDerWaalsContact OG1-N 3.13Å; T175-I179 PolarHBondContact O-N 2.96Å
176P85.1Confident63.2Low116 Ų11696.4 Ų96.475%0.75354%0.542SS*.Hα-helixtrans-53.6-35.6173.5-26.935000113I179 A180P176-I179 PolarHBondContact O-N 2.82Å; P176-A180 PolarHBondContact O-N 2.76Å
177A79.1Confident62.8Low67 Ų6794.8 Ų94.855%0.55454%0.535SS*.Hα-helixtrans-62.2-46.317200000111.6T175 I179 A180 V181T175-A177 PolarHBondContact O-N 3.42Å; A177-I179 VanDerWaalsContact C-N 3.26Å; A177-I179 PolarHBondContact O-N 2.82Å; A177-A180 PolarHBondContact O-N 3.19Å; A177-V181 WeakPolarHBondContact O-CB 3.42Å; A177-V181 VanDerWaalsContact O-CG2 3.29Å; A177-V181 WeakPolarHBondContact O-CG2 3.43Å; A177-V181 PolarHBondContact O-N 2.9Å
178S76.1Confident62.3Low45 Ų4595.7 Ų95.732%0.31553%0.531SS..Hα-helixtrans-66.8-21.4178.278.60000114.7I174 T175 V181I174-S178 VanDerWaalsContact CA-OG 3.31Å; I174-S178 WeakPolarHBondContact CA-OG 3.41Å; T175-S178 PolarHBondContact N-OG 3.08Å; T175-S178 WeakPolarHBondContact O-CA 3.43Å; T175-S178 WeakPolarHBondContact O-CB 3.44Å; T175-S178 PolarHBondContact O-N 3.35Å; T175-S178 PolarHBondContact O-OG 3.27Å; T175-S178 PolarHBondContact OG1-N 3.02Å; T175-S178 VanDerWaalsContact OG1-N 3.13Å; S178-V181 CarbonylContact O-C 3.45Å
179I73.8Confident61.8Low118 Ų11889.4 Ų89.461%0.60550%0.504SS*.Hα-helixtrans-76.3-41.2176.7-64.8168.5000110.1I174 T175 P176 A177 V181I174-I179 HydrophobicContact CG2-CD1 3.9Å; I174-I179 HydrophobicContact CG2-CG1 3.53Å; T175-I179 PolarHBondContact O-N 2.96Å; P176-I179 PolarHBondContact O-N 2.82Å; A177-I179 VanDerWaalsContact C-N 3.26Å; A177-I179 PolarHBondContact O-N 2.82Å; I179-V181 VanDerWaalsContact C-N 3.32Å
180A66.9Low61.4Low86 Ų8694.3 Ų94.371%0.71152%0.521SS*.Hα-helixtrans-69.8-34.8175.300000111.3P176 A177 S182P176-A180 PolarHBondContact O-N 2.76Å; A177-A180 PolarHBondContact O-N 3.19Å; A180-S182 PolarHBondContact O-N 3.34Å; A180-S182 VanDerWaalsContact O-N 3.14Å
181V58.5Low61.6Low52 Ų5295.2 Ų95.232%0.31553%0.525SS..SBendtrans-84.181.6173.5179.90000108.9A177 S178 I179 K183 D185A177-V181 WeakPolarHBondContact O-CB 3.42Å; A177-V181 VanDerWaalsContact O-CG2 3.29Å; A177-V181 WeakPolarHBondContact O-CG2 3.43Å; A177-V181 PolarHBondContact O-N 2.9Å; S178-V181 CarbonylContact O-C 3.45Å; I179-V181 VanDerWaalsContact C-N 3.32Å; V181-K183 PolarHBondContact O-N 3.19Å; V181-D185 HydrophobicContact CG1-CB 3.98Å; V181-D185 WeakPolarHBondContact CG1-OD2 3.4Å; V181-D185 VanDerWaalsContact CG2-OD2 3.25Å; V181-D185 WeakPolarHBondContact CG2-OD2 3.39Å
182S52.8Low62Low50 Ų5093.6 Ų93.635%0.3553%0.53SS..  trans-47.9110.9162.7-55.20000108A180 R221A180-S182 PolarHBondContact O-N 3.34Å; A180-S182 VanDerWaalsContact O-N 3.14Å; S182-R221 PolarHBondContact O-NH1 3Å; S182-R221 PolarHBondContact O-NH2 3.13Å
183K52.5Low62.6Low115 Ų11593.3 Ų93.350%0.552%0.519SS..SBendtrans6110.2170.7-63.7173.7171-175.70116.6G124 P126 V181 R221G124-K183 PolarHBondContact O-NZ 3.36Å; P126-K183 VanDerWaalsContact CD-CE 3.49Å; V181-K183 PolarHBondContact O-N 3.19Å; K183-R221 PolarHBondContact O-NH1 3.04Å
184D48.5Very low63.1Low117 Ų11786.7 Ų86.763%0.62650%0.499SS*.  trans84.378.6169.1-45.9-33.5000116.2S186 R221D184-S186 PolarHBondContact O-N 3.18Å; D184-R221 PolarHBondContact O-NE 2.94Å; D184-R221 PolarHBondContact O-NH2 3.18Å
185D41.5Very low63.7Low99 Ų9982.1 Ų82.153%0.52948%0.476SS..THydrogen-bonded Turntrans-74.810.2172.7-96.4-4.8000115V181 R221V181-D185 HydrophobicContact CG1-CB 3.98Å; V181-D185 WeakPolarHBondContact CG1-OD2 3.4Å; V181-D185 VanDerWaalsContact CG2-OD2 3.25Å; V181-D185 WeakPolarHBondContact CG2-OD2 3.39Å; D185-R221 IonicContact OD1-NH2 3.65Å; D185-R221 PolarHBondContact OD1-NH2 2.75Å
186S38.1Very low64.2Low103 Ų10380 Ų8072%0.7246%0.463SS*.THydrogen-bonded Turntrans-97.3-4.9-178.253.70000115.2D184D184-S186 PolarHBondContact O-N 3.18Å
187V42.4Very low64.7Low64 Ų6474.5 Ų74.539%0.38843%0.427SS..  trans-11977.3-179.8-165.90000110.6
188Q44.2Very low65.4Low117 Ų11771.3 Ų71.355%0.54740%0.401SS..  trans-66.9142161.1-61.1-66-27.900108.1K190Q188-K190 PolarHBondContact O-N 3.01Å
189P46.2Very low66.2Low31 Ų3169.2 Ų69.220%0.20139%0.386CS..  trans-60.6106.8172.425.4-31.4000107.8E191 F193P189-E191 PolarHBondContact O-N 3.11Å; P189-F193 HydrophobicContact CB-CE2 4.03Å
190K50.5Low66.9Low201 Ų20165.2 Ų65.287%0.87437%0.369SS*.  trans-70.6-13-179.1-76179.1178.7172.20112.2Q188Q188-K190 PolarHBondContact O-N 3.01Å
191E61.3Low68Low141 Ų14163.9 Ų63.966%0.65935%0.35SS*.SBendtrans-133.8138.8-173.1-60.6-174.2177.600111.6P189 F193P189-E191 PolarHBondContact O-N 3.11Å; E191-F193 PolarHBondContact O-N 3.14Å
192A72.2Confident69.2Low76 Ų7667.2 Ų67.263%0.62836%0.36SS*.  trans-76.1105.3176.300000109.6A3A3-A192 HydrophobicContact CB-CB 4.47Å
193F82.5Confident70.9Confident31 Ų3165.2 Ų65.214%0.13635%0.347CS..  trans-74.5137.6178.1-54.6-67000111.6V5 K6 P189 E191 N214V5-F193 WeakPolarHBondContact CA-O 3.47Å; V5-F193 HydrophobicContact CG1-CB 4.48Å; V5-F193 WeakPolarHBondContact CG1-O 3.11Å; V5-F193 HydrophobicContact CG2-CB 4.14Å; V5-F193 HydrophobicContact CG2-CD2 4.47Å; K6-F193 PolarHBondContact N-O 3.03Å; P189-F193 HydrophobicContact CB-CE2 4.03Å; E191-F193 PolarHBondContact O-N 3.14Å; F193-N214 HydrophobicContact CD1-CB 4.03Å; F193-N214 WeakPolarHBondContact CD1-ND2 3.37Å; F193-N214 HydrophobicContact CE1-CB 4.39Å; F193-N214 HydrophobicContact CG-CB 4.21Å
194T90.3Very high72.8Confident47 Ų4759.8 Ų59.829%0.28832%0.323SS..SBendtrans-76.2-49.8175.6-56.50000111.5K6 H7 H98 L99K6-T194 HydrophobicContact CD-CG2 4.41Å; H7-T194 PolarHBondContact N-O 3.48Å; H98-T194 HydrophobicContact CB-CG2 3.97Å; L99-T194 HydrophobicContact CD1-CG2 4.18Å
195V92.8Very high74.8Confident5 Ų554.8 Ų54.83%0.0330%0.296CS..EExtended strand (participates in β ladder)trans-126.3132.6178.9178.90000108.2H7 V91 L94 H98 L99H7-V195 HydrophobicContact CB-CG2 4.25Å; H7-V195 WeakPolarHBondContact O-CA 3.17Å; V91-V195 HydrophobicContact CG1-CG1 4.36Å; L94-V195 HydrophobicContact CB-CG1 4.27Å; H98-V195 HydrophobicContact CB-CG2 4.06Å; L99-V195 HydrophobicContact CD1-CB 3.79Å; L99-V195 HydrophobicContact CD1-CG2 3.44Å; L99-V195 VanDerWaalsContact CD1-CG2 3.44Å
196A93.4Very high76.9Confident0 Ų050.1 Ų50.10%027%0.271CS..EExtended strand (participates in β ladder)trans-143.1157.9170.900000111.4V5 H7 L8 V9 N214 L216V5-A196 HydrophobicContact CG1-CB 3.92Å; V5-A196 HydrophobicContact CG2-CB 4.34Å; H7-A196 PolarHBondContact O-N 2.87Å; H7-A196 VanDerWaalsContact O-N 3.08Å; L8-A196 WeakPolarHBondContact CA-O 3.4Å; L8-A196 HydrophobicContact CD1-CB 4.17Å; V9-A196 PolarHBondContact N-O 3.43Å; A196-N214 WeakPolarHBondContact CA-O 3.26Å; A196-N214 HydrophobicContact CB-CB 4.3Å; A196-L216 HydrophobicContact CB-CD1 4.07Å; A196-L216 HydrophobicContact CB-CG 3.9Å
197C94.4Very high79.4Confident0 Ų045.2 Ų45.20%024%0.237CC..EExtended strand (participates in β ladder)trans-111.7131.3171.2-175.30000110V9 V91 L208 N214 V215 L216V9-C197 CarbonylContact O-C 3.57Å; V9-C197 WeakPolarHBondContact O-CA 3.26Å; V91-C197 HydrophobicContact CG1-CB 4.38Å; V91-C197 HydrophobicContact CG2-CB 3.83Å; C197-L208 HydrophobicContact CB-CD1 3.46Å; C197-L208 VanDerWaalsContact CB-CD1 3.46Å; C197-N214 PolarHBondContact N-O 3.31Å; C197-N214 VanDerWaalsContact N-O 3.12Å; C197-V215 WeakPolarHBondContact O-CA 3.47Å; C197-V215 WeakPolarHBondContact O-CG1 3.37Å; C197-L216 PolarHBondContact O-N 2.85Å
198L93.9Very high81.8Confident0 Ų042.2 Ų42.20%022%0.218CC..EExtended strand (participates in β ladder)trans-94.5109.8171.4-172.6132.5000109.1L8 V9 V10 D11 A19 L21 L24 L216L8-L198 HydrophobicContact CD1-CB 4.09Å; L8-L198 HydrophobicContact CD2-CB 4.48Å; L8-L198 HydrophobicContact CG-CB 4.45Å; V9-L198 PolarHBondContact O-N 2.89Å; V10-L198 HydrophobicContact CG1-CD2 4.3Å; D11-L198 WeakPolarHBondContact CB-O 3.43Å; D11-L198 PolarHBondContact N-O 3.31Å; D11-L198 VanDerWaalsContact N-O 3.08Å; A19-L198 HydrophobicContact CB-CD2 4.5Å; L21-L198 HydrophobicContact CD2-CD1 4.21Å; L21-L198 HydrophobicContact CD2-CD2 4.34Å; L24-L198 HydrophobicContact CD1-CD1 3.52Å; L198-L216 WeakPolarHBondContact CA-O 3.34Å
199T92.9Very high83.9Confident0 Ų038.4 Ų38.40%020%0.204CC..  trans-148.3150.9179.3179.70000111.4D11 D201 V204 Q205 V215 L216D11-T199 PolarHBondContact OD2-OG1 2.85Å; T199-D201 PolarHBondContact OG1-N 3.15Å; T199-D201 VanDerWaalsContact OG1-N 3.16Å; T199-V204 HydrophobicContact CG2-CB 4.2Å; T199-V204 HydrophobicContact CG2-CG1 3.81Å; T199-Q205 HydrophobicContact CG2-CG 3.77Å; T199-Q205 PolarHBondContact O-NE2 3.21Å; T199-V215 HydrophobicContact CG2-CG1 3.59Å; T199-L216 PolarHBondContact N-O 3.42Å
200S88.9Confident85.8Confident34 Ų3437.6 Ų37.624%0.23820%0.197CC..  trans-109.6-1.1172.683.30000114.3S13 K17S13-S200 WeakPolarHBondContact CB-OG 3.1Å; S13-S200 PolarHBondContact OG-N 3.4Å; K17-S200 VanDerWaalsContact NZ-CB 3.31Å; K17-S200 PolarHBondContact NZ-OG 3.42Å; K17-S200 VanDerWaalsContact NZ-OG 3.12Å
201D89.4Confident87.7Confident58 Ų5828 Ų2831%0.3116%0.155SC..  trans-82.9127.8177.5-173.116.6000111.1T199 A203 V204 Q205T199-D201 PolarHBondContact OG1-N 3.15Å; T199-D201 VanDerWaalsContact OG1-N 3.16Å; D201-A203 VanDerWaalsContact C-N 3.29Å; D201-A203 PolarHBondContact O-N 3Å; D201-A203 PolarHBondContact OD1-N 3.12Å; D201-V204 HydrophobicContact CB-CB 4.45Å; D201-V204 HydrophobicContact CB-CG2 4.19Å; D201-V204 PolarHBondContact O-N 2.71Å; D201-Q205 WeakPolarHBondContact O-CB 2.98Å; D201-Q205 WeakPolarHBondContact O-CG 3.39Å; D201-Q205 PolarHBondContact O-N 2.84Å
202F85.1Confident88.9Confident122 Ų12223.2 Ų23.254%0.53514%0.144SC..Hα-helixtrans-64.4-33.4-178.7-67.7-71000112.2N206F202-N206 WeakPolarHBondContact O-CB 3.45Å; F202-N206 PolarHBondContact O-N 2.91Å; F202-N206 PolarHBondContact O-ND2 3.41Å
203A87.9Confident89.8Confident9 Ų920.1 Ų20.17%0.07412%0.117CC..Hα-helixtrans-66.2-49.2179.800000111.1L80 D201 N206 T207L80-A203 HydrophobicContact CD2-CB 3.76Å; L80-A203 HydrophobicContact CG-CB 4.31Å; D201-A203 VanDerWaalsContact C-N 3.29Å; D201-A203 PolarHBondContact O-N 3Å; D201-A203 PolarHBondContact OD1-N 3.12Å; A203-N206 PolarHBondContact O-N 2.94Å; A203-T207 PolarHBondContact O-N 3.25Å; A203-T207 PolarHBondContact O-OG1 2.78Å
204V92Very high90.2Very high0 Ų021.3 Ų21.30%012%0.124CC..Hα-helixtrans-60.6-47.5176.6-1790000110.9L80 D84 L87 L88 T199 D201 N206 T207 L208L80-V204 HydrophobicContact CD2-CG2 3.79Å; D84-V204 HydrophobicContact CB-CG2 3.96Å; L87-V204 HydrophobicContact CD2-CG1 4.24Å; L88-V204 HydrophobicContact CD2-CG1 3.75Å; L88-V204 HydrophobicContact CG-CG1 4.29Å; T199-V204 HydrophobicContact CG2-CB 4.2Å; T199-V204 HydrophobicContact CG2-CG1 3.81Å; D201-V204 HydrophobicContact CB-CB 4.45Å; D201-V204 HydrophobicContact CB-CG2 4.19Å; D201-V204 PolarHBondContact O-N 2.71Å; V204-N206 VanDerWaalsContact C-N 3.33Å; V204-N206 PolarHBondContact O-N 3.42Å; V204-T207 WeakPolarHBondContact CA-OG1 3.22Å; V204-T207 PolarHBondContact O-N 3.07Å; V204-T207 PolarHBondContact O-OG1 3.5Å; V204-L208 HydrophobicContact CG1-CD1 3.98Å; V204-L208 HydrophobicContact CG1-CG 4.47Å; V204-L208 WeakPolarHBondContact O-CG 3.47Å; V204-L208 PolarHBondContact O-N 3.21Å
205Q90.5Very high90.2Very high12 Ų1219.1 Ų19.16%0.05611%0.111CC..Hα-helixtrans-55.8-45.6176.6-71169200112.2T199 D201 L208 T209 V215 I223 T226T199-Q205 HydrophobicContact CG2-CG 3.77Å; T199-Q205 PolarHBondContact O-NE2 3.21Å; D201-Q205 WeakPolarHBondContact O-CB 2.98Å; D201-Q205 WeakPolarHBondContact O-CG 3.39Å; D201-Q205 PolarHBondContact O-N 2.84Å; Q205-L208 PolarHBondContact O-N 3.37Å; Q205-T209 WeakPolarHBondContact O-CB 3.45Å; Q205-T209 VanDerWaalsContact O-CG2 3.31Å; Q205-T209 WeakPolarHBondContact O-CG2 3.41Å; Q205-T209 PolarHBondContact O-N 3.4Å; Q205-T209 PolarHBondContact O-OG1 3.16Å; Q205-V215 HydrophobicContact CB-CG1 4.49Å; Q205-V215 HydrophobicContact CG-CG1 3.82Å; Q205-I223 HydrophobicContact CG-CD1 4.17Å; Q205-T226 HydrophobicContact CB-CG2 4.01Å
206N86.8Confident90.1Very high2 Ų219 Ų191%0.01111%0.11CC..Hα-helixtrans-63.9-43.9178.9-71.3-31.8000112F202 A203 V204 T209 Q210 T226 K228F202-N206 WeakPolarHBondContact O-CB 3.45Å; F202-N206 PolarHBondContact O-N 2.91Å; F202-N206 PolarHBondContact O-ND2 3.41Å; A203-N206 PolarHBondContact O-N 2.94Å; V204-N206 VanDerWaalsContact C-N 3.33Å; V204-N206 PolarHBondContact O-N 3.42Å; N206-T209 WeakPolarHBondContact CA-OG1 3.2Å; N206-T209 PolarHBondContact O-OG1 3.41Å; N206-Q210 WeakPolarHBondContact O-CB 3.35Å; N206-Q210 VanDerWaalsContact O-CG 3.24Å; N206-Q210 WeakPolarHBondContact O-CG 3.42Å; N206-Q210 PolarHBondContact O-N 2.94Å; N206-T226 WeakPolarHBondContact OD1-CB 3.5Å; N206-T226 PolarHBondContact OD1-OG1 2.97Å; N206-K228 WeakPolarHBondContact ND2-CD 3.4Å
207T90.4Very high89.8Confident0 Ų020.5 Ų20.50%012%0.12CC..Hα-helixtrans-64.2-42.1178.748.70000112.2D76 L80 L88 A203 V204 Q210 M211D76-T207 HydrophobicContact CB-CG2 3.91Å; L80-T207 HydrophobicContact CD1-CG2 4.02Å; L88-T207 WeakPolarHBondContact CD1-OG1 3.48Å; L88-T207 WeakPolarHBondContact CD2-OG1 3.25Å; A203-T207 PolarHBondContact O-N 3.25Å; A203-T207 PolarHBondContact O-OG1 2.78Å; V204-T207 WeakPolarHBondContact CA-OG1 3.22Å; V204-T207 PolarHBondContact O-N 3.07Å; V204-T207 PolarHBondContact O-OG1 3.5Å; T207-Q210 PolarHBondContact O-N 2.98Å; T207-M211 VanDerWaalsContact O-CG 3.27Å; T207-M211 WeakPolarHBondContact O-CG 3.46Å; T207-M211 PolarHBondContact O-N 3.42Å
208L92Very high89.3Confident0 Ų021.9 Ų21.90%013%0.127CC..Hα-helixtrans-67.5-44.9179.1-71.7174.9000112.3L88 V91 C197 V204 Q205 Q210 M211 G212 L213 V215L88-L208 HydrophobicContact CD2-CD1 4.15Å; L88-L208 HydrophobicContact CD2-CD2 3.51Å; L88-L208 HydrophobicContact CD2-CG 3.5Å; V91-L208 HydrophobicContact CB-CD2 4.23Å; V91-L208 HydrophobicContact CG1-CD2 3.9Å; C197-L208 HydrophobicContact CB-CD1 3.46Å; C197-L208 VanDerWaalsContact CB-CD1 3.46Å; V204-L208 HydrophobicContact CG1-CD1 3.98Å; V204-L208 HydrophobicContact CG1-CG 4.47Å; V204-L208 WeakPolarHBondContact O-CG 3.47Å; V204-L208 PolarHBondContact O-N 3.21Å; Q205-L208 PolarHBondContact O-N 3.37Å; L208-Q210 VanDerWaalsContact C-N 3.3Å; L208-Q210 PolarHBondContact O-N 3.35Å; L208-M211 CarbonylContact O-C 3.57Å; L208-M211 WeakPolarHBondContact O-CB 3.27Å; L208-M211 PolarHBondContact O-N 3.32Å; L208-M211 VanDerWaalsContact O-N 3.12Å; L208-G212 PolarHBondContact O-N 2.86Å; L208-G212 VanDerWaalsContact O-N 3.14Å; L208-L213 HydrophobicContact CB-CB 4.32Å; L208-L213 HydrophobicContact CD2-CB 4.12Å; L208-L213 HydrophobicContact CD2-CD1 3.78Å; L208-L213 PolarHBondContact O-N 3.1Å; L208-V215 HydrophobicContact CB-CG2 3.41Å; L208-V215 VanDerWaalsContact CB-CG2 3.41Å; L208-V215 HydrophobicContact CD1-CG1 4.46Å; L208-V215 HydrophobicContact CD1-CG2 3.76Å; L208-V215 HydrophobicContact CG-CG2 4.24Å
209T88.4Confident88.6Confident38 Ų3825.4 Ų25.423%0.23315%0.146CC..Hα-helixtrans-61.1-39.9176.747.50000111.6Q205 N206 G212 V215 T226Q205-T209 WeakPolarHBondContact O-CB 3.45Å; Q205-T209 VanDerWaalsContact O-CG2 3.31Å; Q205-T209 WeakPolarHBondContact O-CG2 3.41Å; Q205-T209 PolarHBondContact O-N 3.4Å; Q205-T209 PolarHBondContact O-OG1 3.16Å; N206-T209 WeakPolarHBondContact CA-OG1 3.2Å; N206-T209 PolarHBondContact O-OG1 3.41Å; T209-G212 PolarHBondContact O-N 3.24Å; T209-G212 VanDerWaalsContact O-N 3.09Å; T209-V215 HydrophobicContact CG2-CG2 4.22Å; T209-T226 HydrophobicContact CG2-CG2 4.42Å
210Q86.1Confident87.9Confident14 Ų1426 Ų267%0.06515%0.152CC..Hα-helixtrans-67.1-34.4174.5-73.6-70.7-2000113F70 T74 N105 P108 N206 T207 L208 G212 Y263F70-Q210 HydrophobicContact CE1-CB 3.7Å; F70-Q210 HydrophobicContact CZ-CB 3.81Å; T74-Q210 HydrophobicContact CG2-CB 4.12Å; T74-Q210 HydrophobicContact CG2-CG 4.26Å; N105-Q210 PolarHBondContact ND2-O 2.99Å; P108-Q210 HydrophobicContact CB-CB 4.48Å; N206-Q210 WeakPolarHBondContact O-CB 3.35Å; N206-Q210 VanDerWaalsContact O-CG 3.24Å; N206-Q210 WeakPolarHBondContact O-CG 3.42Å; N206-Q210 PolarHBondContact O-N 2.94Å; T207-Q210 PolarHBondContact O-N 2.98Å; L208-Q210 VanDerWaalsContact C-N 3.3Å; L208-Q210 PolarHBondContact O-N 3.35Å; Q210-G212 PolarHBondContact O-N 2.85Å; Q210-Y263 VanDerWaalsContact NE2-CD1 3.34Å
211M89.8Confident87.5Confident0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-69.8-11.8172.2-71.3174.4-170.800113V67 F70 I104 N105 T207 L208 L213V67-M211 HydrophobicContact CB-CE 4.39Å; V67-M211 HydrophobicContact CG1-CE 4.31Å; V67-M211 HydrophobicContact CG2-CE 4.02Å; F70-M211 HydrophobicContact CB-CE 3.84Å; F70-M211 HydrophobicContact CD1-CE 3.38Å; F70-M211 HydrophobicContact CD1-CG 3.67Å; F70-M211 HydrophobicContact CD1-SD 4.41Å; F70-M211 HydrophobicContact CD2-CG 4.28Å; F70-M211 HydrophobicContact CE1-CB 4.44Å; F70-M211 HydrophobicContact CE1-CE 4.11Å; F70-M211 HydrophobicContact CE1-CG 3.45Å; F70-M211 VanDerWaalsContact CE1-CG 3.45Å; F70-M211 HydrophobicContact CE2-CG 4.1Å; F70-M211 HydrophobicContact CG-CE 3.71Å; F70-M211 HydrophobicContact CG-CG 4.08Å; F70-M211 HydrophobicContact CZ-CB 4.38Å; F70-M211 HydrophobicContact CZ-CG 3.7Å; I104-M211 WeakPolarHBondContact CA-O 3.42Å; I104-M211 HydrophobicContact CG2-CB 4.29Å; N105-M211 PolarHBondContact N-O 2.83Å; T207-M211 VanDerWaalsContact O-CG 3.27Å; T207-M211 WeakPolarHBondContact O-CG 3.46Å; T207-M211 PolarHBondContact O-N 3.42Å; L208-M211 CarbonylContact O-C 3.57Å; L208-M211 WeakPolarHBondContact O-CB 3.27Å; L208-M211 PolarHBondContact O-N 3.32Å; L208-M211 VanDerWaalsContact O-N 3.12Å; M211-L213 HydrophobicContact CB-CD1 4.12Å; M211-L213 HydrophobicContact CB-CG 4.1Å; M211-L213 HydrophobicContact SD-CD1 4.29Å
212G87.8Confident87.3Confident40 Ų4025.1 Ų25.141%0.41214%0.143SC..THydrogen-bonded Turntrans82.819.3-173.900000113.8L208 T209 Q210L208-G212 PolarHBondContact O-N 2.86Å; L208-G212 VanDerWaalsContact O-N 3.14Å; T209-G212 PolarHBondContact O-N 3.24Å; T209-G212 VanDerWaalsContact O-N 3.09Å; Q210-G212 PolarHBondContact O-N 2.85Å
213L90.3Very high87Confident11 Ų1121 Ų216%0.05813%0.126CC..  trans-99.4144.3-178.4-62.5175.3000111.6V91 A95 I104 L208 M211V91-L213 HydrophobicContact CG1-CD1 4.03Å; A95-L213 HydrophobicContact CB-CD1 4.43Å; A95-L213 HydrophobicContact CB-CD2 3.54Å; I104-L213 HydrophobicContact CG1-CD2 4.25Å; L208-L213 HydrophobicContact CB-CB 4.32Å; L208-L213 HydrophobicContact CD2-CB 4.12Å; L208-L213 HydrophobicContact CD2-CD1 3.78Å; L208-L213 PolarHBondContact O-N 3.1Å; M211-L213 HydrophobicContact CB-CD1 4.12Å; M211-L213 HydrophobicContact CB-CG 4.1Å; M211-L213 HydrophobicContact SD-CD1 4.29Å
214N90.4Very high86.4Confident55 Ų5527.1 Ų27.129%0.29415%0.153SC..EExtended strand (participates in β ladder)trans-77.1134.2-176.7-59.3-49.3000111.7F193 A196 C197F193-N214 HydrophobicContact CD1-CB 4.03Å; F193-N214 WeakPolarHBondContact CD1-ND2 3.37Å; F193-N214 HydrophobicContact CE1-CB 4.39Å; F193-N214 HydrophobicContact CG-CB 4.21Å; A196-N214 WeakPolarHBondContact CA-O 3.26Å; A196-N214 HydrophobicContact CB-CB 4.3Å; C197-N214 PolarHBondContact N-O 3.31Å; C197-N214 VanDerWaalsContact N-O 3.12Å
215V91.2Very high85.4Confident1 Ų134.1 Ų34.11%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-120.6132.2178.3-164.30000109.7C197 T199 Q205 L208 T209 S222 I223C197-V215 WeakPolarHBondContact O-CA 3.47Å; C197-V215 WeakPolarHBondContact O-CG1 3.37Å; T199-V215 HydrophobicContact CG2-CG1 3.59Å; Q205-V215 HydrophobicContact CB-CG1 4.49Å; Q205-V215 HydrophobicContact CG-CG1 3.82Å; L208-V215 HydrophobicContact CB-CG2 3.41Å; L208-V215 VanDerWaalsContact CB-CG2 3.41Å; L208-V215 HydrophobicContact CD1-CG1 4.46Å; L208-V215 HydrophobicContact CD1-CG2 3.76Å; L208-V215 HydrophobicContact CG-CG2 4.24Å; T209-V215 HydrophobicContact CG2-CG2 4.22Å; V215-S222 WeakPolarHBondContact O-CA 3.43Å; V215-I223 HydrophobicContact CG1-CD1 4.33Å; V215-I223 PolarHBondContact O-N 3.44Å
216L91Very high84.4Confident4 Ų434 Ų342%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-103.9137.6174.9-63.4-176.8000110.5V5 L8 A196 C197 L198 T199 R221V5-L216 HydrophobicContact CG2-CD1 3.88Å; L8-L216 HydrophobicContact CD1-CD1 3.84Å; A196-L216 HydrophobicContact CB-CD1 4.07Å; A196-L216 HydrophobicContact CB-CG 3.9Å; C197-L216 PolarHBondContact O-N 2.85Å; L198-L216 WeakPolarHBondContact CA-O 3.34Å; T199-L216 PolarHBondContact N-O 3.42Å; L216-R221 WeakPolarHBondContact CA-O 3.34Å
217S87.1Confident83.8Confident30 Ų3039.2 Ų39.221%0.2121%0.208CC..  trans-72.8168.3163.3-171.50000110.6D219 G220 R221S217-D219 PolarHBondContact O-N 2.98Å; S217-D219 VanDerWaalsContact O-N 3.16Å; S217-G220 PolarHBondContact O-N 3.12Å; S217-R221 PolarHBondContact N-O 2.79Å
218I84.5Confident83.3Confident29 Ų2940.2 Ų40.215%0.14921%0.213CC..THydrogen-bonded Turntrans-54.4-33.7176.6-62.8120.1000112.2K17 A19 G220K17-I218 HydrophobicContact CB-CG1 4.33Å; K17-I218 HydrophobicContact CB-CG2 4.07Å; K17-I218 HydrophobicContact CD-CD1 3.26Å; K17-I218 HydrophobicContact CD-CG1 3.76Å; A19-I218 HydrophobicContact CB-CG2 3.93Å; I218-G220 PolarHBondContact O-N 3.12Å
219D78.3Confident82.9Confident75 Ų7544.1 Ų44.140%0.40123%0.23SC..THydrogen-bonded Turntrans-77.6-6-179.3-52.4-44.2000113.2S217S217-D219 PolarHBondContact O-N 2.98Å; S217-D219 VanDerWaalsContact O-N 3.16Å
220G78.8Confident82.9Confident12 Ų1242.8 Ų42.812%0.12422%0.222CC..SBendtrans87.49.2-177.600000115.5L24 S217 I218L24-G220 VanDerWaalsContact CD2-CA 3.41Å; S217-G220 PolarHBondContact O-N 3.12Å; I218-G220 PolarHBondContact O-N 3.12Å
221R80.5Confident83.1Confident51 Ų5143 Ų4319%0.19222%0.223CC..  trans-83.7141.1175.5-61.6-169.8-174.5131.2-1.9111.2S182 K183 D184 D185 L216 S217S182-R221 PolarHBondContact O-NH1 3Å; S182-R221 PolarHBondContact O-NH2 3.13Å; K183-R221 PolarHBondContact O-NH1 3.04Å; D184-R221 PolarHBondContact O-NE 2.94Å; D184-R221 PolarHBondContact O-NH2 3.18Å; D185-R221 IonicContact OD1-NH2 3.65Å; D185-R221 PolarHBondContact OD1-NH2 2.75Å; L216-R221 WeakPolarHBondContact CA-O 3.34Å; S217-R221 PolarHBondContact N-O 2.79Å
222S83.6Confident83.3Confident22 Ų2246.5 Ų46.515%0.15424%0.236CC..BIsolated β-bridgetrans-72.2133.1171.848.50000110.8V215V215-S222 WeakPolarHBondContact O-CA 3.43Å
223I80.1Confident83.6Confident36 Ų3644.6 Ų44.619%0.18522%0.216CC..  trans-93.2103.6178.1-56.7174.9000108.2Q205 V215 T226Q205-I223 HydrophobicContact CG-CD1 4.17Å; V215-I223 HydrophobicContact CG1-CD1 4.33Å; V215-I223 PolarHBondContact O-N 3.44Å; I223-T226 HydrophobicContact CG2-CG2 3.7Å
224E74.4Confident83.6Confident138 Ų13847.8 Ų47.865%0.64523%0.23SC*.  trans-82.7-42.1177.6-66.1178.7-179.300112.3
225H71.5Confident83.7Confident147 Ų14747.8 Ų47.868%0.68123%0.234SC*.  trans-126.7119.7-176.4-61.9-51.7000111.3
226T69.8Low83.8Confident10 Ų1049.8 Ų49.86%0.06125%0.248CC..  trans-95.7114.517450.80000110.4Q205 N206 T209 I223 K228Q205-T226 HydrophobicContact CB-CG2 4.01Å; N206-T226 WeakPolarHBondContact OD1-CB 3.5Å; N206-T226 PolarHBondContact OD1-OG1 2.97Å; T209-T226 HydrophobicContact CG2-CG2 4.42Å; I223-T226 HydrophobicContact CG2-CG2 3.7Å; T226-K228 PolarHBondContact O-N 3.22Å
227K74.3Confident83.9Confident110 Ų11055.5 Ų55.548%0.47827%0.272SS..  trans-78113.1167.2-73178-176.4166.50108.6E122E122-K227 IonicContact OE1-NZ 2.93Å; E122-K227 PolarHBondContact OE1-NZ 3.16Å; E122-K227 IonicContact OE2-NZ 2.8Å
228K78.9Confident84.1Confident22 Ų2258.4 Ų58.410%0.09628%0.283CS..EExtended strand (participates in β ladder)trans-97.9146.2179.2-171.3176.7-171168.90109.9D76 N206 T226 V230 V261D76-K228 WeakPolarHBondContact OD1-CE 3.45Å; D76-K228 IonicContact OD1-NZ 2.81Å; D76-K228 PolarHBondContact OD1-NZ 3.06Å; D76-K228 IonicContact OD2-NZ 3.07Å; D76-K228 PolarHBondContact OD2-NZ 3.3Å; N206-K228 WeakPolarHBondContact ND2-CD 3.4Å; T226-K228 PolarHBondContact O-N 3.22Å; K228-V230 HydrophobicContact CD-CG1 4.25Å; K228-V230 HydrophobicContact CG-CG1 4.21Å; K228-V261 HydrophobicContact CB-CB 4.19Å; K228-V261 PolarHBondContact N-O 2.75Å; K228-V261 PolarHBondContact O-N 3.4Å
229F84.3Confident84.3Confident82 Ų8260.2 Ų60.236%0.3629%0.292SS..EExtended strand (participates in β ladder)trans-113.9126168.2-61.6-72.2000109.3K258 L259 T260F229-K258 HydrophobicContact CB-CD 4.5Å; F229-K258 HydrophobicContact CB-CG 4.25Å; F229-K258 HydrophobicContact CD1-CD 4.25Å; F229-K258 HydrophobicContact CD1-CG 4.24Å; F229-K258 HydrophobicContact CG-CD 4.43Å; F229-L259 WeakPolarHBondContact CA-O 3.32Å; F229-T260 HydrophobicContact CD1-CG2 4.26Å; F229-T260 HydrophobicContact CE1-CG2 3.93Å; F229-T260 WeakPolarHBondContact CE1-OG1 3.43Å
230V87.9Confident84.7Confident10 Ų1057.2 Ų57.26%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-115155.6175.5-47.80000109.3K228 L239 L259 V261 Y271K228-V230 HydrophobicContact CD-CG1 4.25Å; K228-V230 HydrophobicContact CG-CG1 4.21Å; V230-L239 HydrophobicContact CG2-CD2 4.13Å; V230-L259 HydrophobicContact CG2-CB 4.04Å; V230-L259 PolarHBondContact N-O 3.29Å; V230-L259 PolarHBondContact O-N 3.02Å; V230-V261 HydrophobicContact CB-CG2 4.29Å; V230-V261 HydrophobicContact CG1-CB 4.35Å; V230-V261 HydrophobicContact CG1-CG2 3.65Å; V230-V261 HydrophobicContact CG2-CG2 3.7Å; V230-Y271 HydrophobicContact CG2-CE1 4.42Å
231L91.2Very high84.9Confident17 Ų1758.6 Ų58.69%0.08928%0.284CS..EExtended strand (participates in β ladder)trans-99.7122.7173.1-62.4-177.6000109.4L239 S240 N242 K245 L256 T257 K258L231-L239 CarbonylContact O-C 3.55Å; L231-L239 WeakPolarHBondContact O-CA 3.2Å; L231-S240 PolarHBondContact N-O 3.44Å; L231-S240 PolarHBondContact O-N 3.12Å; L231-N242 VanDerWaalsContact CD1-O 3.25Å; L231-N242 WeakPolarHBondContact CD1-O 3.46Å; L231-K245 HydrophobicContact CD1-CB 4.33Å; L231-K245 WeakPolarHBondContact CD1-O 3.29Å; L231-L256 HydrophobicContact CB-CB 4.18Å; L231-L256 HydrophobicContact CB-CD1 4.18Å; L231-L256 HydrophobicContact CB-CD2 4.15Å; L231-L256 HydrophobicContact CB-CG 4.41Å; L231-L256 HydrophobicContact CD1-CB 4.31Å; L231-L256 HydrophobicContact CD1-CD1 3.76Å; L231-T257 CarbonylContact C-O 3.58Å; L231-T257 WeakPolarHBondContact CA-O 3.5Å; L231-K258 HydrophobicContact CD2-CB 4.18Å
232R93.1Very high85.1Confident74 Ų7458.3 Ų58.328%0.27929%0.286SS..EExtended strand (participates in β ladder)trans-105.9129.2171.3-177.5179.7177.8-144.43.6110.5L239 T257 L259R232-L239 HydrophobicContact CB-CD2 3.56Å; R232-L239 HydrophobicContact CG-CD2 3.77Å; R232-T257 PolarHBondContact N-O 3.15Å; R232-T257 PolarHBondContact O-N 3.44Å; R232-T257 PolarHBondContact O-OG1 2.99Å; R232-L259 HydrophobicContact CB-CD1 3.39Å; R232-L259 HydrophobicContact CB-CG 4.17Å; R232-L259 HydrophobicContact CG-CD1 4.1Å
233C93.8Very high85.2Confident0 Ų060.6 Ų60.60%031%0.306CS..EExtended strand (participates in β ladder)trans-69.5125.2168.5-178.30000110.4S235 C236 F237 Q238 C248 C251 T255 L256C233-S235 VanDerWaalsContact C-N 3.31Å; C233-S235 PolarHBondContact SG-N 2.94Å; C233-S235 PolarHBondContact SG-OG 3.25Å; C233-C236 PolarHBondContact SG-N 3.26Å; C233-C236 PolarHBondContact SG-SG 3.34Å; C233-F237 WeakPolarHBondContact O-CA 3.48Å; C233-F237 PolarHBondContact O-N 2.98Å; C233-F237 VanDerWaalsContact O-N 3.08Å; C233-Q238 WeakPolarHBondContact CB-O 3.42Å; C233-Q238 PolarHBondContact N-O 3.4Å; C233-C248 HydrophobicContact CB-CB 4.23Å; C233-C251 VanDerWaalsContact SG-SG 3.69Å; C233-T255 WeakPolarHBondContact CA-O 3.42Å; C233-T255 PolarHBondContact SG-OG1 3.36Å; C233-L256 HydrophobicContact CB-CD2 4.05Å
234F91.5Very high85.6Confident79 Ų7964.5 Ų64.535%0.34633%0.332SS..THydrogen-bonded Turntrans-79-12.9176.667.1-103.7000114F237 T255 T257 I279F234-F237 WeakPolarHBondContact O-CE1 3.49Å; F234-T255 HydrophobicContact CD1-CG2 4.44Å; F234-T255 WeakPolarHBondContact CD1-O 3.37Å; F234-T255 VanDerWaalsContact CE1-CA 3.4Å; F234-T255 VanDerWaalsContact CE1-CB 3.48Å; F234-T255 HydrophobicContact CE1-CG2 3.75Å; F234-T255 HydrophobicContact CE2-CG2 3.87Å; F234-T255 HydrophobicContact CZ-CG2 3.42Å; F234-T255 VanDerWaalsContact CZ-CG2 3.42Å; F234-T255 PolarHBondContact N-O 3.47Å; F234-T257 HydrophobicContact CD1-CG2 3.97Å; F234-I279 HydrophobicContact CB-CD1 3.51Å; F234-I279 HydrophobicContact CD1-CD1 4.24Å; F234-I279 HydrophobicContact CD2-CD1 4.05Å; F234-I279 HydrophobicContact CD2-CG2 4.3Å; F234-I279 HydrophobicContact CE2-CG2 4.12Å; F234-I279 HydrophobicContact CG-CD1 3.7Å; F234-I279 HydrophobicContact CZ-CG2 4.25Å
235S91.9Very high86.4Confident55 Ų5560.6 Ų60.639%0.38531%0.313SS..THydrogen-bonded Turntrans-93.3-51.9179.954.70000113.1C233 T255C233-S235 VanDerWaalsContact C-N 3.31Å; C233-S235 PolarHBondContact SG-N 2.94Å; C233-S235 PolarHBondContact SG-OG 3.25Å; S235-T255 PolarHBondContact OG-OG1 3.32Å
236C94.5Very high87.4Confident42 Ų4258.2 Ų58.228%0.28430%0.3SS..THydrogen-bonded Turntrans-102.40.4179.171.60000114.2C233 Q238 C248 C251C233-C236 PolarHBondContact SG-N 3.26Å; C233-C236 PolarHBondContact SG-SG 3.34Å; C236-Q238 PolarHBondContact O-N 3.35Å; C236-C248 PolarHBondContact SG-SG 3.14Å; C236-C251 HydrophobicContact CB-CB 4.17Å
237F91.8Very high88.6Confident124 Ų12458.7 Ų58.754%0.54430%0.302SS..  trans61.31.9-180-51.4-58.9000116.9C233 F234 L239C233-F237 WeakPolarHBondContact O-CA 3.48Å; C233-F237 PolarHBondContact O-N 2.98Å; C233-F237 VanDerWaalsContact O-N 3.08Å; F234-F237 WeakPolarHBondContact O-CE1 3.49Å; F237-L239 PolarHBondContact O-N 3.43Å
238Q90.8Very high89.5Confident92 Ų9253.6 Ų53.643%0.4328%0.28SS..  trans-60.1132.6175.1-169.165.314.300111.2C233 C236 N250C233-Q238 WeakPolarHBondContact CB-O 3.42Å; C233-Q238 PolarHBondContact N-O 3.4Å; C236-Q238 PolarHBondContact O-N 3.35Å; Q238-N250 HydrophobicContact CB-CB 4.12Å; Q238-N250 HydrophobicContact CG-CB 4.04Å
239L89.6Confident90.2Very high66 Ų6656 Ų5635%0.34630%0.298SS..EExtended strand (participates in β ladder)trans-87.6141.7171.3-62.7175.8000110.3V230 L231 R232 F237 Y271V230-L239 HydrophobicContact CG2-CD2 4.13Å; L231-L239 CarbonylContact O-C 3.55Å; L231-L239 WeakPolarHBondContact O-CA 3.2Å; R232-L239 HydrophobicContact CB-CD2 3.56Å; R232-L239 HydrophobicContact CG-CD2 3.77Å; F237-L239 PolarHBondContact O-N 3.43Å; L239-Y271 HydrophobicContact CD1-CE1 3.64Å; L239-Y271 WeakPolarHBondContact CD1-OH 3.42Å
240S87.1Confident90.6Very high13 Ų1357.3 Ų57.39%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-128.5127174.1173.70000108.6L231L231-S240 PolarHBondContact N-O 3.44Å; L231-S240 PolarHBondContact O-N 3.12Å
241T83.4Confident90.9Very high41 Ų4158.9 Ų58.925%0.25232%0.32SS..  trans-76.9-27.8178.146.30000112.5G75 A243G75-T241 WeakPolarHBondContact O-CG2 3.17Å; G75-T241 PolarHBondContact O-OG1 3.05Å; T241-A243 PolarHBondContact O-N 3.17Å; T241-A243 VanDerWaalsContact O-N 3.15Å
242N84.7Confident91Very high44 Ų4459.9 Ų59.924%0.23533%0.334CS..  trans-72.8108.6180-172.6-20.8000111.7T79 L231 T244 K245T79-N242 HydrophobicContact CG2-CB 3.93Å; L231-N242 VanDerWaalsContact CD1-O 3.25Å; L231-N242 WeakPolarHBondContact CD1-O 3.46Å; N242-T244 PolarHBondContact O-N 3.35Å; N242-T244 WeakPolarHBondContact OD1-CB 3.29Å; N242-T244 PolarHBondContact OD1-N 3.5Å; N242-T244 PolarHBondContact OD1-OG1 3.32Å; N242-K245 HydrophobicContact CB-CG 4.17Å
243A85Confident91Very high71 Ų7160.5 Ų60.559%0.58734%0.342SS*.THydrogen-bonded Turntrans-72-10.5-178.900000114.7T241T241-A243 PolarHBondContact O-N 3.17Å; T241-A243 VanDerWaalsContact O-N 3.15Å
244T88.3Confident91Very high118 Ų11865.6 Ų65.672%0.72437%0.37SS*.THydrogen-bonded Turntrans-87.2-16.3-179.768.70000113.4N242N242-T244 PolarHBondContact O-N 3.35Å; N242-T244 WeakPolarHBondContact OD1-CB 3.29Å; N242-T244 PolarHBondContact OD1-N 3.5Å; N242-T244 PolarHBondContact OD1-OG1 3.32Å
245K91Very high91.1Very high56 Ų5662.6 Ų62.624%0.24336%0.358CS..  trans-70.2147.4-178-71.9-159.8168.8-136.10112.3L231 N242 L256 E304L231-K245 HydrophobicContact CD1-CB 4.33Å; L231-K245 WeakPolarHBondContact CD1-O 3.29Å; N242-K245 HydrophobicContact CB-CG 4.17Å; K245-L256 HydrophobicContact CB-CD1 3.9Å; K245-E304 IonicContact NZ-OE1 3.13Å; K245-E304 PolarHBondContact NZ-OE1 3.48Å; K245-E304 VanDerWaalsContact NZ-OE1 3.13Å; K245-E304 IonicContact NZ-OE2 3.2Å; K245-E304 PolarHBondContact NZ-OE2 3.43Å
246K91.9Very high91.2Very high96 Ų9661.3 Ų61.342%0.41735%0.346SS..  trans-110-48.5171.5-65.6-175.3177.8-176.70111.5D254 L256K246-D254 VanDerWaalsContact O-OD1 3.12Å; K246-L256 WeakPolarHBondContact O-CD1 3.47Å; K246-L256 WeakPolarHBondContact O-CG 3.5Å
247F95.2Very high91.1Very high21 Ų2160.5 Ų60.59%0.09234%0.34CS..SBendtrans-82.6140.8176.9-58.8-77.3000111.1G252 N253 D254 L256 I301 L302 F303 E304F247-G252 WeakPolarHBondContact CD1-O 3.31Å; F247-N253 WeakPolarHBondContact CA-O 3Å; F247-D254 HydrophobicContact CD1-CB 3.85Å; F247-D254 HydrophobicContact CE1-CB 3.73Å; F247-L256 WeakPolarHBondContact O-CD1 3.2Å; F247-I301 HydrophobicContact CE2-CG2 3.91Å; F247-I301 HydrophobicContact CZ-CG2 3.87Å; F247-L302 VanDerWaalsContact CE1-C 3.43Å; F247-L302 WeakPolarHBondContact CE1-O 3.48Å; F247-F303 VanDerWaalsContact CE2-C 3.49Å; F247-E304 HydrophobicContact CB-CB 4.29Å; F247-E304 HydrophobicContact CD2-CB 3.98Å; F247-E304 HydrophobicContact CG-CB 4.44Å
248C94.7Very high91Very high2 Ų260.7 Ų60.71%0.01434%0.341CS..  trans-70130176.31770000110.2C233 C236 N250 C251 G252 N253 L256C233-C248 HydrophobicContact CB-CB 4.23Å; C236-C248 PolarHBondContact SG-SG 3.14Å; C248-N250 VanDerWaalsContact C-N 3.26Å; C248-N250 PolarHBondContact O-N 2.98Å; C248-C251 VanDerWaalsContact CB-SG 3.53Å; C248-C251 VanDerWaalsContact SG-SG 3.67Å; C248-G252 WeakPolarHBondContact O-CA 3.45Å; C248-G252 PolarHBondContact O-N 3.47Å; C248-N253 PolarHBondContact N-O 2.93Å; C248-L256 HydrophobicContact CB-CD2 4.02Å; C248-L256 HydrophobicContact CB-CG 4.28Å
249P91.9Very high90.9Very high74 Ų7457 Ų5748%0.48132%0.324SS..THydrogen-bonded Turntrans-67.1-24.6-178.726.2-34.9000113.9
250N93.2Very high90.8Very high109 Ų10956.2 Ų56.258%0.58332%0.322SS*.THydrogen-bonded Turntrans-87.5-49.1-178.7-172.218.2000112.2Q238 C248Q238-N250 HydrophobicContact CB-CB 4.12Å; Q238-N250 HydrophobicContact CG-CB 4.04Å; C248-N250 VanDerWaalsContact C-N 3.26Å; C248-N250 PolarHBondContact O-N 2.98Å
251C94.6Very high90.6Very high43 Ų4355.7 Ų55.729%0.29132%0.319SS..THydrogen-bonded Turntrans-101.3-5.4-176.172.50000115C233 C236 C248 N253C233-C251 VanDerWaalsContact SG-SG 3.69Å; C236-C251 HydrophobicContact CB-CB 4.17Å; C248-C251 VanDerWaalsContact CB-SG 3.53Å; C248-C251 VanDerWaalsContact SG-SG 3.67Å; C251-N253 PolarHBondContact O-N 2.87Å; C251-N253 VanDerWaalsContact O-N 3.07Å; C251-N253 PolarHBondContact O-ND2 2.83Å
252G93.5Very high90.6Very high37 Ų3755 Ų5538%0.38132%0.315SS..  trans72.6-9.618000000116.1F247 C248F247-G252 WeakPolarHBondContact CD1-O 3.31Å; C248-G252 WeakPolarHBondContact O-CA 3.45Å; C248-G252 PolarHBondContact O-N 3.47Å
253N93.6Very high90.1Very high87 Ų8754.8 Ų54.847%0.46531%0.311SS..SBendtrans-82.3153.4-175-60.2-57.8000113.1F247 C248 C251 T255F247-N253 WeakPolarHBondContact CA-O 3Å; C248-N253 PolarHBondContact N-O 2.93Å; C251-N253 PolarHBondContact O-N 2.87Å; C251-N253 VanDerWaalsContact O-N 3.07Å; C251-N253 PolarHBondContact O-ND2 2.83Å; N253-T255 HydrophobicContact CB-CG2 3.68Å; N253-T255 PolarHBondContact O-N 3.22Å
254D93.7Very high89.5Confident108 Ų10853.9 Ų53.958%0.57830%0.296SS*.SBendtrans-78.265172.3-167.912.6000111.1K246 F247K246-D254 VanDerWaalsContact O-OD1 3.12Å; F247-D254 HydrophobicContact CD1-CB 3.85Å; F247-D254 HydrophobicContact CE1-CB 3.73Å
255T93Very high88.4Confident16 Ų1653.9 Ų53.910%0.09830%0.301CS..  trans-122.114.5-172.253.60000112.8C233 F234 S235 N253C233-T255 WeakPolarHBondContact CA-O 3.42Å; C233-T255 PolarHBondContact SG-OG1 3.36Å; F234-T255 HydrophobicContact CD1-CG2 4.44Å; F234-T255 WeakPolarHBondContact CD1-O 3.37Å; F234-T255 VanDerWaalsContact CE1-CA 3.4Å; F234-T255 VanDerWaalsContact CE1-CB 3.48Å; F234-T255 HydrophobicContact CE1-CG2 3.75Å; F234-T255 HydrophobicContact CE2-CG2 3.87Å; F234-T255 HydrophobicContact CZ-CG2 3.42Å; F234-T255 VanDerWaalsContact CZ-CG2 3.42Å; F234-T255 PolarHBondContact N-O 3.47Å; S235-T255 PolarHBondContact OG-OG1 3.32Å; N253-T255 HydrophobicContact CB-CG2 3.68Å; N253-T255 PolarHBondContact O-N 3.22Å
256L93.2Very high87.3Confident27 Ų2757 Ų5714%0.14132%0.321CS..EExtended strand (participates in β ladder)trans-76.8132.9180-69.2-176.2000111.7L231 C233 K245 K246 F247 C248L231-L256 HydrophobicContact CB-CB 4.18Å; L231-L256 HydrophobicContact CB-CD1 4.18Å; L231-L256 HydrophobicContact CB-CD2 4.15Å; L231-L256 HydrophobicContact CB-CG 4.41Å; L231-L256 HydrophobicContact CD1-CB 4.31Å; L231-L256 HydrophobicContact CD1-CD1 3.76Å; C233-L256 HydrophobicContact CB-CD2 4.05Å; K245-L256 HydrophobicContact CB-CD1 3.9Å; K246-L256 WeakPolarHBondContact O-CD1 3.47Å; K246-L256 WeakPolarHBondContact O-CG 3.5Å; F247-L256 WeakPolarHBondContact O-CD1 3.2Å; C248-L256 HydrophobicContact CB-CD2 4.02Å; C248-L256 HydrophobicContact CB-CG 4.28Å
257T92Very high86Confident25 Ų2552.8 Ų52.815%0.15331%0.305CS..EExtended strand (participates in β ladder)trans-125.7134.3176.657.80000110.3L231 R232 F234 L259L231-T257 CarbonylContact C-O 3.58Å; L231-T257 WeakPolarHBondContact CA-O 3.5Å; R232-T257 PolarHBondContact N-O 3.15Å; R232-T257 PolarHBondContact O-N 3.44Å; R232-T257 PolarHBondContact O-OG1 2.99Å; F234-T257 HydrophobicContact CD1-CG2 3.97Å; T257-L259 PolarHBondContact O-N 3.12Å
258K91.1Very high84.8Confident129 Ų12952.2 Ų52.256%0.56130%0.304SS*.EExtended strand (participates in β ladder)trans-66.7127.5175.8-172.3176.9177-179.30110.7F229 L231F229-K258 HydrophobicContact CB-CD 4.5Å; F229-K258 HydrophobicContact CB-CG 4.25Å; F229-K258 HydrophobicContact CD1-CD 4.25Å; F229-K258 HydrophobicContact CD1-CG 4.24Å; F229-K258 HydrophobicContact CG-CD 4.43Å; L231-K258 HydrophobicContact CD2-CB 4.18Å
259L88.4Confident84Confident13 Ų1354.3 Ų54.37%0.06831%0.314CS..EExtended strand (participates in β ladder)trans-120.5142.2170.2-76174.9000109.6F229 V230 R232 T257 H272 F273F229-L259 WeakPolarHBondContact CA-O 3.32Å; V230-L259 HydrophobicContact CG2-CB 4.04Å; V230-L259 PolarHBondContact N-O 3.29Å; V230-L259 PolarHBondContact O-N 3.02Å; R232-L259 HydrophobicContact CB-CD1 3.39Å; R232-L259 HydrophobicContact CB-CG 4.17Å; R232-L259 HydrophobicContact CG-CD1 4.1Å; T257-L259 PolarHBondContact O-N 3.12Å; L259-H272 WeakPolarHBondContact CD2-O 3.4Å; L259-F273 HydrophobicContact CD1-CD1 3.89Å; L259-F273 HydrophobicContact CD1-CE1 3.46Å; L259-F273 VanDerWaalsContact CD1-CE1 3.46Å; L259-F273 HydrophobicContact CD1-CZ 4.3Å; L259-F273 HydrophobicContact CD2-CD1 3.57Å; L259-F273 HydrophobicContact CD2-CE1 4.04Å; L259-F273 HydrophobicContact CD2-CG 4.29Å; L259-F273 HydrophobicContact CG-CD1 4.43Å; L259-F273 HydrophobicContact CG-CE1 4.45Å
260T88Confident83.5Confident50 Ų5051 Ų5131%0.30729%0.293SS..EExtended strand (participates in β ladder)trans-87.2137.7171.8-49.20000108.9F229 H272F229-T260 HydrophobicContact CD1-CG2 4.26Å; F229-T260 HydrophobicContact CE1-CG2 3.93Å; F229-T260 WeakPolarHBondContact CE1-OG1 3.43Å; T260-H272 PolarHBondContact O-N 3.3Å
261V83.3Confident83.1Confident3 Ų349.5 Ų49.52%0.01828%0.279CS..EExtended strand (participates in β ladder)trans-125.4129.3178.4174.10000108.5K228 V230 I269 V270 Y271K228-V261 HydrophobicContact CB-CB 4.19Å; K228-V261 PolarHBondContact N-O 2.75Å; K228-V261 PolarHBondContact O-N 3.4Å; V230-V261 HydrophobicContact CB-CG2 4.29Å; V230-V261 HydrophobicContact CG1-CB 4.35Å; V230-V261 HydrophobicContact CG1-CG2 3.65Å; V230-V261 HydrophobicContact CG2-CG2 3.7Å; V261-I269 HydrophobicContact CG1-CG2 3.31Å; V261-V270 WeakPolarHBondContact CA-O 3.49Å; V261-Y271 HydrophobicContact CG2-CD1 3.51Å; V261-Y271 HydrophobicContact CG2-CE1 3.76Å
262S82Confident82.7Confident25 Ų2549 Ų4918%0.17527%0.273CS..EExtended strand (participates in β ladder)trans-116.9168.517063.80000110V270 H272S262-V270 PolarHBondContact N-O 3.06Å; S262-V270 PolarHBondContact O-N 2.78Å; S262-H272 PolarHBondContact OG-NE2 3.45Å
263Y73.8Confident82.4Confident40 Ų4051.6 Ų51.616%0.15727%0.273CS..EExtended strand (participates in β ladder)trans-113.6129.5170.1-55.8-87000107.7Q210 A268 I269Q210-Y263 VanDerWaalsContact NE2-CD1 3.34Å; Y263-A268 CarbonylContact C-O 3.56Å; Y263-A268 WeakPolarHBondContact CA-O 3.14Å; Y263-I269 HydrophobicContact CD1-CG1 3.9Å; Y263-I269 HydrophobicContact CE1-CD1 4.3Å; Y263-I269 HydrophobicContact CE1-CG1 3.71Å
264D72.3Confident82Confident52 Ų5251 Ų5128%0.27828%0.276SS..  trans-72.3168.8170.7-75.6-11.2000110.2N115 N266 G267 A268 V270N115-D264 PolarHBondContact ND2-OD2 3.01Å; N115-D264 VanDerWaalsContact ND2-OD2 3.14Å; D264-N266 PolarHBondContact O-N 3.24Å; D264-G267 WeakPolarHBondContact O-CA 3.44Å; D264-G267 PolarHBondContact O-N 3.23Å; D264-A268 HydrophobicContact CB-CB 4.4Å; D264-A268 PolarHBondContact N-O 3.06Å; D264-V270 VanDerWaalsContact OD1-CG2 3.3Å; D264-V270 WeakPolarHBondContact OD1-CG2 3.44Å; D264-V270 WeakPolarHBondContact OD2-CG2 3.49Å
265S67.1Low81.4Confident118 Ų11855 Ų5583%0.82529%0.288SS*.THydrogen-bonded Turntrans-55.1-24.9177.456.40000114G267S265-G267 PolarHBondContact O-N 3.22Å
266N66.8Low80.8Confident123 Ų12362.7 Ų62.766%0.65832%0.316SS*.THydrogen-bonded Turntrans-85.54177.5-57.1-11.1000112.2D264 A268D264-N266 PolarHBondContact O-N 3.24Å; N266-A268 PolarHBondContact O-N 3.35Å
267G64.9Low80Confident7 Ų767.3 Ų67.37%0.07233%0.334CS..  trans74.26.5-173.300000114.6D264 S265D264-G267 WeakPolarHBondContact O-CA 3.44Å; D264-G267 PolarHBondContact O-N 3.23Å; S265-G267 PolarHBondContact O-N 3.22Å
268A70.9Confident79.5Confident9 Ų971.6 Ų71.67%0.07436%0.36CS..  trans-69.5131.2178.300000111.7A111 Y263 D264 N266 V270A111-A268 HydrophobicContact CB-CB 4.21Å; Y263-A268 CarbonylContact C-O 3.56Å; Y263-A268 WeakPolarHBondContact CA-O 3.14Å; D264-A268 HydrophobicContact CB-CB 4.4Å; D264-A268 PolarHBondContact N-O 3.06Å; N266-A268 PolarHBondContact O-N 3.35Å; A268-V270 PolarHBondContact O-N 2.64Å
269I76.4Confident79.2Confident46 Ų4670.2 Ų70.224%0.23636%0.358CS..EExtended strand (participates in β ladder)trans-72.8115.4176.8-57.2177.1000110.1A111 V261 Y263 Y271A111-I269 HydrophobicContact CB-CB 3.74Å; A111-I269 HydrophobicContact CB-CG1 4.24Å; V261-I269 HydrophobicContact CG1-CG2 3.31Å; Y263-I269 HydrophobicContact CD1-CG1 3.9Å; Y263-I269 HydrophobicContact CE1-CD1 4.3Å; Y263-I269 HydrophobicContact CE1-CG1 3.71Å; I269-Y271 HydrophobicContact CG2-CE1 4.1Å; I269-Y271 HydrophobicContact CG2-CE2 3.99Å
270V82Confident79.2Confident4 Ų473.4 Ų73.42%0.02438%0.378CS..EExtended strand (participates in β ladder)trans-102.4124.3174.9170.10000110.4N115 V261 S262 D264 A268N115-V270 HydrophobicContact CB-CG2 3.93Å; N115-V270 WeakPolarHBondContact O-CG1 3.37Å; V261-V270 WeakPolarHBondContact CA-O 3.49Å; S262-V270 PolarHBondContact N-O 3.06Å; S262-V270 PolarHBondContact O-N 2.78Å; D264-V270 VanDerWaalsContact OD1-CG2 3.3Å; D264-V270 WeakPolarHBondContact OD1-CG2 3.44Å; D264-V270 WeakPolarHBondContact OD2-CG2 3.49Å; A268-V270 PolarHBondContact O-N 2.64Å
271Y85.7Confident79.2Confident78 Ų7876.2 Ų76.231%0.30640%0.397SS..EExtended strand (participates in β ladder)trans-96.5119.1177.3-61.6-82000110.8V230 L239 V261 I269 F273V230-Y271 HydrophobicContact CG2-CE1 4.42Å; L239-Y271 HydrophobicContact CD1-CE1 3.64Å; L239-Y271 WeakPolarHBondContact CD1-OH 3.42Å; V261-Y271 HydrophobicContact CG2-CD1 3.51Å; V261-Y271 HydrophobicContact CG2-CE1 3.76Å; I269-Y271 HydrophobicContact CG2-CE1 4.1Å; I269-Y271 HydrophobicContact CG2-CE2 3.99Å; Y271-F273 HydrophobicContact CG-CZ 4.45Å; Y271-F273 WeakPolarHBondContact O-CD2 3.22Å; Y271-F273 PolarHBondContact O-N 3.43Å
272H86.1Confident79.4Confident33 Ų3384.4 Ų84.415%0.15343%0.433CS..EExtended strand (participates in β ladder)trans-92.3101.1176.7-56.8-75.4000111.5S117 L259 T260 S262S117-H272 PolarHBondContact O-ND1 3.44Å; S117-H272 PolarHBondContact OG-CE1 3.03Å; S117-H272 PolarHBondContact OG-ND1 2.89Å; L259-H272 WeakPolarHBondContact CD2-O 3.4Å; T260-H272 PolarHBondContact O-N 3.3Å; S262-H272 PolarHBondContact OG-NE2 3.45Å
273F87.1Confident79.6Confident90 Ų9084 Ų8440%0.39543%0.433SS..  trans-83.9126.9174.4-59.9-81.7000111.4L259 Y271 K275L259-F273 HydrophobicContact CD1-CD1 3.89Å; L259-F273 HydrophobicContact CD1-CE1 3.46Å; L259-F273 VanDerWaalsContact CD1-CE1 3.46Å; L259-F273 HydrophobicContact CD1-CZ 4.3Å; L259-F273 HydrophobicContact CD2-CD1 3.57Å; L259-F273 HydrophobicContact CD2-CE1 4.04Å; L259-F273 HydrophobicContact CD2-CG 4.29Å; L259-F273 HydrophobicContact CG-CD1 4.43Å; L259-F273 HydrophobicContact CG-CE1 4.45Å; Y271-F273 HydrophobicContact CG-CZ 4.45Å; Y271-F273 WeakPolarHBondContact O-CD2 3.22Å; Y271-F273 PolarHBondContact O-N 3.43Å; F273-K275 PolarHBondContact O-N 2.8Å
274S84.2Confident80.3Confident74 Ų7486.2 Ų86.252%0.51745%0.454SS..  trans-77.1111172.1-179.10000110.7R276 K277S274-R276 PolarHBondContact O-N 2.95Å; S274-R276 PolarHBondContact OG-N 2.9Å; S274-K277 PolarHBondContact O-N 2.99Å
275K81.8Confident81.2Confident193 Ų19392.6 Ų92.684%0.83948%0.479SS*.THydrogen-bonded Turntrans-66.3-19.7172.3-63-176.3-179179.10113.2F273F273-K275 PolarHBondContact O-N 2.8Å
276R80.2Confident82.4Confident177 Ų17790.9 Ų90.967%0.66846%0.457SS*.THydrogen-bonded Turntrans-79.6-23-177.8-74.3-177.1-86.5-162.9-17.7113.6S274 V278S274-R276 PolarHBondContact O-N 2.95Å; S274-R276 PolarHBondContact OG-N 2.9Å; R276-V278 PolarHBondContact O-N 3.34Å
277K75.6Confident83.6Confident124 Ų12490.8 Ų90.854%0.53947%0.466SS..  trans-80.793.2-174.6-170175.2-179.31790110.3S274 I279S274-K277 PolarHBondContact O-N 2.99Å; K277-I279 PolarHBondContact O-N 2.98Å
278V81.8Confident84.9Confident115 Ų11594.7 Ų94.770%0.69749%0.485SS*.  trans-79.1118174.1-174.10000109.4R276 T280R276-V278 PolarHBondContact O-N 3.34Å; V278-T280 HydrophobicContact CG1-CG2 4.12Å; V278-T280 PolarHBondContact O-N 3.37Å
279I85Confident86Confident100 Ų10098.1 Ų98.151%0.51351%0.507SS..  trans-74.5113.2173.3-60.1165000107.3F234 K277F234-I279 HydrophobicContact CB-CD1 3.51Å; F234-I279 HydrophobicContact CD1-CD1 4.24Å; F234-I279 HydrophobicContact CD2-CD1 4.05Å; F234-I279 HydrophobicContact CD2-CG2 4.3Å; F234-I279 HydrophobicContact CE2-CG2 4.12Å; F234-I279 HydrophobicContact CG-CD1 3.7Å; F234-I279 HydrophobicContact CZ-CG2 4.25Å; K277-I279 PolarHBondContact O-N 2.98Å
280T88.1Confident86.8Confident80 Ų8099.3 Ų99.349%0.49152%0.523SS..  trans-108140.4178.369.40000110.5V278 K282V278-T280 HydrophobicContact CG1-CG2 4.12Å; V278-T280 PolarHBondContact O-N 3.37Å; T280-K282 PolarHBondContact O-N 3.24Å
281P87.5Confident87.4Confident109 Ų109105 Ų10571%0.70856%0.56SS**  trans-76.56.7173.433-36000112.4G283 S284P281-G283 PolarHBondContact O-N 3.32Å; P281-S284 PolarHBondContact O-N 3.38Å; P281-S284 PolarHBondContact O-OG 2.65Å
282K88.3Confident87.8Confident175 Ų175108.3 Ų108.376%0.76158%0.576SS**THydrogen-bonded Turntrans-67.6123.8-178-70.9-175.2178.4179.50109.5T280 S284T280-K282 PolarHBondContact O-N 3.24Å; K282-S284 VanDerWaalsContact C-N 3.32Å; K282-S284 PolarHBondContact O-N 3.34Å
283G86.5Confident88.1Confident17 Ų17110.2 Ų110.218%0.17561%0.605CS.*THydrogen-bonded Turntrans81.6-0.7178.400000116P281 F286 N359P281-G283 PolarHBondContact O-N 3.32Å; G283-F286 WeakPolarHBondContact O-CD1 3.49Å; G283-N359 WeakPolarHBondContact CA-OD1 3.48Å
284S87.5Confident88.3Confident87 Ų87108.9 Ų108.961%0.60862%0.616SS**THydrogen-bonded Turntrans-76.2-37.6173.264.10000112.5P281 K282P281-S284 PolarHBondContact O-N 3.38Å; P281-S284 PolarHBondContact O-OG 2.65Å; K282-S284 VanDerWaalsContact C-N 3.32Å; K282-S284 PolarHBondContact O-N 3.34Å
285K91.7Very high88.7Confident185 Ų185114.2 Ų114.280%0.80463%0.63SS**  trans-96.2114.2177.5-170.9176.4-178.3177.40111.1N361K285-N361 PolarHBondContact O-ND2 3.28Å
286F91.9Very high89Confident82 Ų82109.6 Ų109.636%0.3661%0.611SS.*  trans-151.4159.9173.559.1-84.3000110.2G283 L288 P360 N361G283-F286 WeakPolarHBondContact O-CD1 3.49Å; F286-L288 HydrophobicContact CD2-CD2 4.16Å; F286-L288 HydrophobicContact CE2-CD2 3.46Å; F286-L288 VanDerWaalsContact CE2-CD2 3.46Å; F286-L288 HydrophobicContact CZ-CD2 3.9Å; F286-L288 PolarHBondContact O-N 3.11Å; F286-P360 HydrophobicContact CB-CB 4.11Å; F286-P360 HydrophobicContact CD1-CB 4.18Å; F286-P360 HydrophobicContact CD1-CG 3.83Å; F286-P360 HydrophobicContact CD2-CB 3.96Å; F286-P360 HydrophobicContact CD2-CG 4.12Å; F286-P360 HydrophobicContact CE1-CG 3.9Å; F286-P360 HydrophobicContact CE2-CB 4.42Å; F286-P360 HydrophobicContact CE2-CG 4.15Å; F286-P360 HydrophobicContact CG-CB 3.83Å; F286-P360 HydrophobicContact CG-CG 3.96Å; F286-P360 HydrophobicContact CZ-CG 4.06Å; F286-N361 VanDerWaalsContact CB-OD1 3.31Å; F286-N361 WeakPolarHBondContact CB-OD1 3.26Å
287S92.8Very high89.5Confident121 Ų121102.3 Ų102.385%0.84659%0.589SS**PPolyproline II helixtrans-71.3121.8178.6-56.50000110.9
288L92.7Very high90Very high89 Ų89102 Ų10247%0.46659%0.587SS.*PPolyproline II helixtrans-82.6145.3174.9-63.9174.1000110.6F286 P300 L302F286-L288 HydrophobicContact CD2-CD2 4.16Å; F286-L288 HydrophobicContact CE2-CD2 3.46Å; F286-L288 VanDerWaalsContact CE2-CD2 3.46Å; F286-L288 HydrophobicContact CZ-CD2 3.9Å; F286-L288 PolarHBondContact O-N 3.11Å; L288-P300 HydrophobicContact CD2-CG 4.05Å; L288-L302 HydrophobicContact CD1-CD1 4.28Å; L288-L302 HydrophobicContact CD1-CD2 4.42Å
289P92.4Very high90.5Very high82 Ų8299.1 Ų99.153%0.53257%0.568SS.*PPolyproline II helixtrans-65.9152.7171.329.5-34.4000110.5
290A94.7Very high90.7Very high71 Ų7196.6 Ų96.659%0.58756%0.558SS**PPolyproline II helixtrans-56.6139.7171.300000110.4K292A290-K292 PolarHBondContact O-N 3.28Å
291P94.2Very high90.9Very high122 Ų12297.3 Ų97.379%0.79256%0.558SS**PPolyproline II helixtrans-62.8129-179.726.3-33.7000110
292K92.7Very high91.1Very high149 Ų14996.6 Ų96.665%0.64855%0.548SS*.  trans-115.9138.5177.6-66.4-177.2-178.5-176.10110.4A290 A297 N299A290-K292 PolarHBondContact O-N 3.28Å; K292-A297 HydrophobicContact CB-CB 4.28Å; K292-A297 VanDerWaalsContact O-CB 3.26Å; K292-A297 WeakPolarHBondContact O-CB 3.37Å; K292-N299 PolarHBondContact N-OD1 3.14Å; K292-N299 PolarHBondContact O-ND2 3.01Å; K292-N299 PolarHBondContact O-OD1 3.39Å
293G93Very high91.3Very high73 Ų7393.1 Ų93.175%0.75353%0.533SS*.  trans-96178.8167.500000112.3A297G293-A297 WeakPolarHBondContact O-CB 3.44Å
294G91.6Very high91.6Very high62 Ų6297 Ų9764%0.63955%0.547SS*.SBendtrans110.8169174.700000114.3H296 A297G294-H296 PolarHBondContact O-N 2.99Å; G294-H296 VanDerWaalsContact O-N 3.09Å; G294-A297 PolarHBondContact O-N 3.34Å
295K91.8Very high91.8Very high185 Ų18599.5 Ų99.580%0.80455%0.553SS**THydrogen-bonded Turntrans-59.3-24.8-172.1-66-177.3-179.2178.80114.7S309K295-S309 VanDerWaalsContact O-CB 3.31Å; K295-S309 WeakPolarHBondContact O-CB 3.19Å
296H89.4Confident91.9Very high97 Ų9791.9 Ų91.945%0.44952%0.52SS..THydrogen-bonded Turntrans-124.716-174.5-55.4-53.2000113G294 K298 N311 L347G294-H296 PolarHBondContact O-N 2.99Å; G294-H296 VanDerWaalsContact O-N 3.09Å; H296-K298 PolarHBondContact O-N 3.1Å; H296-N311 PolarHBondContact ND1-OD1 3.45Å; H296-L347 VanDerWaalsContact CE1-CD1 3.49Å; H296-L347 WeakPolarHBondContact CE1-CD1 3.44Å
297A90Very high91.9Very high23 Ų2393.4 Ų93.419%0.1954%0.538CS..  trans-66.7133.1178.700000111.2K292 G293 G294 S309K292-A297 HydrophobicContact CB-CB 4.28Å; K292-A297 VanDerWaalsContact O-CB 3.26Å; K292-A297 WeakPolarHBondContact O-CB 3.37Å; G293-A297 WeakPolarHBondContact O-CB 3.44Å; G294-A297 PolarHBondContact O-N 3.34Å; A297-S309 PolarHBondContact O-OG 3.3Å
298K87.2Confident91.9Very high117 Ų11793.6 Ų93.651%0.50953%0.527SS..  trans-121.490.5176.9-171.8-170.7172.9-160.40109.8H296 L352H296-K298 PolarHBondContact O-N 3.1Å; K298-L352 HydrophobicContact CD-CB 4.13Å; K298-L352 HydrophobicContact CD-CD2 3.96Å; K298-L352 VanDerWaalsContact CE-O 3.24Å; K298-L352 WeakPolarHBondContact CE-O 3.33Å; K298-L352 PolarHBondContact NZ-O 3.27Å
299N90.4Very high91.7Very high55 Ų5591.1 Ų91.129%0.29452%0.517SS..PPolyproline II helixtrans-85150.9173.8-60.6-36.8000109.7K292K292-N299 PolarHBondContact N-OD1 3.14Å; K292-N299 PolarHBondContact O-ND2 3.01Å; K292-N299 PolarHBondContact O-OD1 3.39Å
300P90.3Very high91.6Very high47 Ų4794.8 Ų94.831%0.30553%0.527SS..PPolyproline II helixtrans-60.314517026.6-32.8000110L288 L302 Q306L288-P300 HydrophobicContact CD2-CG 4.05Å; P300-L302 HydrophobicContact CB-CD2 4.44Å; P300-Q306 PolarHBondContact O-NE2 3.05Å; P300-Q306 PolarHBondContact O-OE1 3.1Å
301I91.7Very high91.3Very high95 Ų9592.7 Ų92.749%0.48751%0.506SS..PPolyproline II helixtrans-83119.3177.4-54174.2000107.8F247 M308F247-I301 HydrophobicContact CE2-CG2 3.91Å; F247-I301 HydrophobicContact CZ-CG2 3.87Å; I301-M308 HydrophobicContact CD1-SD 3.73Å; I301-M308 HydrophobicContact CG1-SD 3.98Å
302L92.8Very high91.2Very high95 Ų9594.6 Ų94.650%0.49750%0.502SS..  trans-115.6-20.6-175.5-58.9179.2000112.8F247 L288 P300F247-L302 VanDerWaalsContact CE1-C 3.43Å; F247-L302 WeakPolarHBondContact CE1-O 3.48Å; L288-L302 HydrophobicContact CD1-CD1 4.28Å; L288-L302 HydrophobicContact CD1-CD2 4.42Å; P300-L302 HydrophobicContact CB-CD2 4.44Å
303F92.9Very high91.2Very high102 Ų10288.8 Ų88.845%0.44748%0.478SS..SBendtrans-148.9165.2179.456.4-87.3000111.4F247 Q306F247-F303 VanDerWaalsContact CE2-C 3.49Å; F303-Q306 HydrophobicContact CD1-CB 4.3Å; F303-Q306 HydrophobicContact CD2-CB 3.87Å; F303-Q306 HydrophobicContact CE1-CB 4.05Å; F303-Q306 HydrophobicContact CE1-CG 3.92Å; F303-Q306 HydrophobicContact CE2-CB 3.63Å; F303-Q306 HydrophobicContact CE2-CG 4.17Å; F303-Q306 HydrophobicContact CG-CB 4.21Å; F303-Q306 HydrophobicContact CZ-CB 3.71Å; F303-Q306 HydrophobicContact CZ-CG 3.72Å
304E92.3Very high91.2Very high98 Ų9886.7 Ų86.746%0.45845%0.452SS..THydrogen-bonded Turntrans-61.6-50.8-172.9-169.8169-176.100112.1K245 F247 Q306K245-E304 IonicContact NZ-OE1 3.13Å; K245-E304 PolarHBondContact NZ-OE1 3.48Å; K245-E304 VanDerWaalsContact NZ-OE1 3.13Å; K245-E304 IonicContact NZ-OE2 3.2Å; K245-E304 PolarHBondContact NZ-OE2 3.43Å; F247-E304 HydrophobicContact CB-CB 4.29Å; F247-E304 HydrophobicContact CD2-CB 3.98Å; F247-E304 HydrophobicContact CG-CB 4.44Å; E304-Q306 VanDerWaalsContact C-N 3.25Å; E304-Q306 PolarHBondContact O-N 3.31Å
305D92.3Very high91.3Very high140 Ų14093.5 Ų93.575%0.74946%0.458SS*.THydrogen-bonded Turntrans-89.828.3-172.9-57-34.1000113.7P307D305-P307 WeakPolarHBondContact O-CD 3.4Å
306Q93.1Very high91.3Very high25 Ų2588.5 Ų88.512%0.11744%0.436CS..  trans-71.8123.2-176.4-171.8173-27.900111.4P300 F303 E304 M308P300-Q306 PolarHBondContact O-NE2 3.05Å; P300-Q306 PolarHBondContact O-OE1 3.1Å; F303-Q306 HydrophobicContact CD1-CB 4.3Å; F303-Q306 HydrophobicContact CD2-CB 3.87Å; F303-Q306 HydrophobicContact CE1-CB 4.05Å; F303-Q306 HydrophobicContact CE1-CG 3.92Å; F303-Q306 HydrophobicContact CE2-CB 3.63Å; F303-Q306 HydrophobicContact CE2-CG 4.17Å; F303-Q306 HydrophobicContact CG-CB 4.21Å; F303-Q306 HydrophobicContact CZ-CB 3.71Å; F303-Q306 HydrophobicContact CZ-CG 3.72Å; E304-Q306 VanDerWaalsContact C-N 3.25Å; E304-Q306 PolarHBondContact O-N 3.31Å; Q306-M308 PolarHBondContact O-N 3.03Å
307P92.6Very high91.4Very high113 Ų11384.5 Ų84.573%0.73442%0.419SS*.  trans-65.7129.1177.526.1-33.3000110.3D305D305-P307 WeakPolarHBondContact O-CD 3.4Å
308M90.9Very high91.4Very high125 Ų12588.9 Ų88.962%0.61644%0.439SS*.  trans-123142180-66.8-173.8-74.700110.7I301 Q306I301-M308 HydrophobicContact CD1-SD 3.73Å; I301-M308 HydrophobicContact CG1-SD 3.98Å; Q306-M308 PolarHBondContact O-N 3.03Å
309S90.3Very high91.6Very high37 Ų3788 Ų8826%0.25944%0.437SS..  trans-61.3137.8169.259.10000110.5K295 A297 N311K295-S309 VanDerWaalsContact O-CB 3.31Å; K295-S309 WeakPolarHBondContact O-CB 3.19Å; A297-S309 PolarHBondContact O-OG 3.3Å; S309-N311 VanDerWaalsContact C-N 3.3Å; S309-N311 PolarHBondContact O-N 3.03Å; S309-N311 PolarHBondContact OG-ND2 3.39Å
310H89.6Confident91.5Very high159 Ų15994.5 Ų94.574%0.73646%0.462SS*.  trans-57.4-36.6-175-68.5160.9000114.6K312H310-K312 HydrophobicContact CB-CG 4.37Å; H310-K312 WeakPolarHBondContact O-CG 3.16Å; H310-K312 PolarHBondContact O-N 3.5Å
311N89.1Confident91.4Very high28 Ų2896.9 Ų96.915%0.1547%0.47CS..  trans29.951.6174.1-77.6-14.7000114.1H296 S309 L349 Q353H296-N311 PolarHBondContact ND1-OD1 3.45Å; S309-N311 VanDerWaalsContact C-N 3.3Å; S309-N311 PolarHBondContact O-N 3.03Å; S309-N311 PolarHBondContact OG-ND2 3.39Å; N311-L349 HydrophobicContact CB-CD1 3.98Å; N311-L349 HydrophobicContact CB-CD2 3.91Å; N311-Q353 PolarHBondContact O-NE2 3.34Å
312K91.1Very high91.3Very high162 Ų16296.5 Ų96.570%0.70447%0.47SS*.PPolyproline II helixtrans-76.6146.1-176.2-65-174.9179.9-178.80110.3H310H310-K312 HydrophobicContact CB-CG 4.37Å; H310-K312 WeakPolarHBondContact O-CG 3.16Å; H310-K312 PolarHBondContact O-N 3.5Å
313L92.8Very high91.3Very high27 Ų2796 Ų9614%0.14147%0.47CS..PPolyproline II helixtrans-77.8154.5170.8-72.3101.1000110.9S317 L318 R350 Q353L313-S317 WeakPolarHBondContact CD2-OG 3.22Å; L313-L318 HydrophobicContact CB-CD2 4.11Å; L313-L318 HydrophobicContact CB-CG 4.05Å; L313-R350 HydrophobicContact CD2-CB 3.85Å; L313-R350 HydrophobicContact CD2-CG 4.1Å; L313-Q353 VanDerWaalsContact CD1-CD 3.41Å
314S93.5Very high91.2Very high28 Ų28100.1 Ų100.120%0.19649%0.488CS..PPolyproline II helixtrans-65.4159170.476.20000111.7K316 S317 L318 D339 S344S314-K316 VanDerWaalsContact C-N 3.28Å; S314-K316 PolarHBondContact O-N 3.14Å; S314-S317 PolarHBondContact O-N 2.95Å; S314-S317 VanDerWaalsContact O-N 3.15Å; S314-S317 PolarHBondContact OG-N 3.15Å; S314-S317 VanDerWaalsContact OG-N 3.1Å; S314-L318 WeakPolarHBondContact O-CG 3.48Å; S314-L318 PolarHBondContact O-N 3.29Å; S314-D339 VanDerWaalsContact CB-OD2 3.3Å; S314-D339 WeakPolarHBondContact CB-OD2 3.35Å; S314-D339 VanDerWaalsContact OG-CG 3.3Å; S314-D339 PolarHBondContact OG-OD2 3.29Å; S314-S344 PolarHBondContact N-OG 3.05Å
315R92.9Very high91.1Very high206 Ų20698.8 Ų98.878%0.77748%0.484SS*.Hα-helixtrans-56.1-43.7174-167.2176.381.7148.82.6111.8S317 L318 Q319R315-S317 VanDerWaalsContact C-N 3.3Å; R315-S317 PolarHBondContact O-N 3.23Å; R315-L318 PolarHBondContact O-N 3.07Å; R315-Q319 WeakPolarHBondContact O-CG 2.82Å; R315-Q319 PolarHBondContact O-N 2.83Å
316K92.3Very high90.9Very high79 Ų7997.7 Ų97.734%0.34349%0.485SS..Hα-helixtrans-60.5-37.8178.4-171.9176.4-177.4-179.70112.3S314 M337 H338 D339S314-K316 VanDerWaalsContact C-N 3.28Å; S314-K316 PolarHBondContact O-N 3.14Å; K316-M337 WeakPolarHBondContact CE-O 3.47Å; K316-H338 WeakPolarHBondContact CE-O 3.44Å; K316-D339 HydrophobicContact CB-CB 4.16Å; K316-D339 HydrophobicContact CD-CB 4.29Å; K316-D339 HydrophobicContact CG-CB 4.16Å
317S90.9Very high90.7Very high14 Ų14102.4 Ų102.410%0.09851%0.511CS..Hα-helixtrans-74.1-26.2178.6-156.30000113.7L313 S314 R315 R350L313-S317 WeakPolarHBondContact CD2-OG 3.22Å; S314-S317 PolarHBondContact O-N 2.95Å; S314-S317 VanDerWaalsContact O-N 3.15Å; S314-S317 PolarHBondContact OG-N 3.15Å; S314-S317 VanDerWaalsContact OG-N 3.1Å; R315-S317 VanDerWaalsContact C-N 3.3Å; R315-S317 PolarHBondContact O-N 3.23Å; S317-R350 PolarHBondContact O-NH1 2.52Å; S317-R350 PolarHBondContact OG-NH1 2.53Å
318L91.2Very high90.6Very high114 Ų114100.1 Ų100.160%0.59749%0.488SS*.Hα-helixtrans-80.8-21.3177.9-69.2171.2000113.1L313 S314 R315 K320L313-L318 HydrophobicContact CB-CD2 4.11Å; L313-L318 HydrophobicContact CB-CG 4.05Å; S314-L318 WeakPolarHBondContact O-CG 3.48Å; S314-L318 PolarHBondContact O-N 3.29Å; R315-L318 PolarHBondContact O-N 3.07Å; L318-K320 PolarHBondContact O-N 3.37Å
319Q89.7Confident90.6Very high100 Ų100100.6 Ų100.647%0.46750%0.498SS..  trans-60.6131.8176.9-75.8169.6-23.500110.6R315R315-Q319 WeakPolarHBondContact O-CG 2.82Å; R315-Q319 PolarHBondContact O-N 2.83Å
320K89.7Confident90.5Very high190 Ų190103 Ų10383%0.82652%0.519SS*.  trans-116.3146.6167.9-64.4-178.8-179.1178.40106.8L318L318-K320 PolarHBondContact O-N 3.37Å
321M88.3Confident90.3Very high97 Ų9797.5 Ų97.548%0.47851%0.506SS..  trans-79.3132.8169.5-63.1-38.2-43.500110.5F335 A336M321-F335 VanDerWaalsContact CG-C 3.5Å; M321-A336 HydrophobicContact CG-CB 3.61Å; M321-A336 VanDerWaalsContact SD-CA 3.52Å; M321-A336 HydrophobicContact SD-CB 3.59Å; M321-A336 VanDerWaalsContact SD-CB 3.59Å
322D90.1Very high90.4Very high88 Ų88104.6 Ų104.647%0.47154%0.544SS..  trans-100121.4161.6-172.2-3000107.2F324 D325D322-F324 PolarHBondContact OD1-N 3.28Å; D322-D325 HydrophobicContact CB-CB 4.18Å
323V91.9Very high90.3Very high83 Ų8399.4 Ų99.450%0.50353%0.528SS..THydrogen-bonded Turntrans-75.8-20.8-179-179.10000110.7Y328V323-Y328 HydrophobicContact CB-CE2 4.43Å; V323-Y328 HydrophobicContact CG1-CD1 4.36Å; V323-Y328 HydrophobicContact CG1-CE1 3.99Å; V323-Y328 HydrophobicContact CG1-CE2 4.43Å; V323-Y328 HydrophobicContact CG2-CE2 4.19Å
324F90.9Very high90.2Very high189 Ų189101.3 Ų101.383%0.82954%0.542SS*.THydrogen-bonded Turntrans-978.5-179.8-57.5-69.8000113D322D322-F324 PolarHBondContact OD1-N 3.28Å
325D89.5Confident90.1Very high71 Ų71107.6 Ų107.638%0.3857%0.566SS.*SBendtrans-70.7134.5172-163.8-60000109.6D322 D327 Y328D322-D325 HydrophobicContact CB-CB 4.18Å; D325-D327 PolarHBondContact O-N 3.2Å; D325-D327 VanDerWaalsContact O-N 3.12Å; D325-D327 PolarHBondContact OD1-N 3.13Å; D325-Y328 WeakPolarHBondContact O-CB 3.44Å; D325-Y328 PolarHBondContact O-N 3.16Å
326P89.2Confident89.9Confident116 Ų11699 Ų9975%0.75354%0.539SS*.G310 helixtrans-54.4-29.4176.322.4-35.2000113.5Y328P326-Y328 VanDerWaalsContact C-N 3.28Å; P326-Y328 PolarHBondContact O-N 2.99Å
327D88.1Confident89.8Confident124 Ų124101.4 Ų101.466%0.66355%0.553SS**G310 helixtrans-81.8-4.3-179.4-66.7-15.3000113D325 V329 A330D325-D327 PolarHBondContact O-N 3.2Å; D325-D327 VanDerWaalsContact O-N 3.12Å; D325-D327 PolarHBondContact OD1-N 3.13Å; D327-V329 VanDerWaalsContact C-N 3.33Å; D327-V329 PolarHBondContact O-N 3.47Å; D327-A330 PolarHBondContact O-N 2.86Å
328Y90.5Very high89.9Confident66 Ų66107 Ų10726%0.25958%0.577SS.*G310 helixtrans-59.7-41-177.2-178.5-99.7000112.7V323 D325 P326 A330 G331 P334V323-Y328 HydrophobicContact CB-CE2 4.43Å; V323-Y328 HydrophobicContact CG1-CD1 4.36Å; V323-Y328 HydrophobicContact CG1-CE1 3.99Å; V323-Y328 HydrophobicContact CG1-CE2 4.43Å; V323-Y328 HydrophobicContact CG2-CE2 4.19Å; D325-Y328 WeakPolarHBondContact O-CB 3.44Å; D325-Y328 PolarHBondContact O-N 3.16Å; P326-Y328 VanDerWaalsContact C-N 3.28Å; P326-Y328 PolarHBondContact O-N 2.99Å; Y328-A330 VanDerWaalsContact C-N 3.25Å; Y328-A330 PolarHBondContact O-N 2.65Å; Y328-G331 PolarHBondContact O-N 3.31Å; Y328-G331 VanDerWaalsContact O-N 3.14Å; Y328-P334 WeakPolarHBondContact OH-CA 3.46Å; Y328-P334 WeakPolarHBondContact OH-CB 3.24Å; Y328-P334 PolarHBondContact OH-O 3.09Å
329V90.2Very high90Very high135 Ų135102.4 Ų102.482%0.81855%0.553SS**G310 helixtrans-67.1-28.3-177.4-178.70000112D327 G331D327-V329 VanDerWaalsContact C-N 3.33Å; D327-V329 PolarHBondContact O-N 3.47Å; V329-G331 PolarHBondContact O-N 3.41Å
330A89.8Confident90.1Very high86 Ų86104.1 Ų104.171%0.71156%0.564SS**G310 helixtrans-79.3-6.9178.200000113.1D327 Y328D327-A330 PolarHBondContact O-N 2.86Å; Y328-A330 VanDerWaalsContact C-N 3.25Å; Y328-A330 PolarHBondContact O-N 2.65Å
331G85.6Confident90.3Very high44 Ų44100.6 Ų100.645%0.45456%0.559SS.*  trans-75.8134.6-178.200000113.1Y328 V329 S333Y328-G331 PolarHBondContact O-N 3.31Å; Y328-G331 VanDerWaalsContact O-N 3.14Å; V329-G331 PolarHBondContact O-N 3.41Å; G331-S333 PolarHBondContact O-N 2.89Å; G331-S333 VanDerWaalsContact O-N 3.15Å
332D89.5Confident90.5Very high178 Ų17897.2 Ų97.295%0.95255%0.545SS*.SBendtrans-61.1-22.2173.8-62.7-32.3000113.3
333S90.6Very high90.6Very high52 Ų52101.3 Ų101.336%0.36455%0.554SS.*SBendtrans-139.9142.2-177.474.20000111.9G331 F335G331-S333 PolarHBondContact O-N 2.89Å; G331-S333 VanDerWaalsContact O-N 3.15Å; S333-F335 PolarHBondContact O-N 3.32Å; S333-F335 VanDerWaalsContact O-N 3.14Å; S333-F335 PolarHBondContact OG-O 2.93Å; S333-F335 VanDerWaalsContact OG-O 3.05Å
334P90.5Very high90.6Very high68 Ų6898 Ų9844%0.44253%0.534SS..SBendtrans-72.7-5-179.629.1-35.2000114Y328Y328-P334 WeakPolarHBondContact OH-CA 3.46Å; Y328-P334 WeakPolarHBondContact OH-CB 3.24Å; Y328-P334 PolarHBondContact OH-O 3.09Å
335F90.8Very high90.7Very high159 Ų15990.6 Ų90.670%0.69751%0.508SS*.SBendtrans-124.1156-172.9-55-62.2000112.5M321 S333 M337M321-F335 VanDerWaalsContact CG-C 3.5Å; S333-F335 PolarHBondContact O-N 3.32Å; S333-F335 VanDerWaalsContact O-N 3.14Å; S333-F335 PolarHBondContact OG-O 2.93Å; S333-F335 VanDerWaalsContact OG-O 3.05Å; F335-M337 PolarHBondContact O-N 3.19Å
336A89.5Confident90.8Very high25 Ų2592 Ų9221%0.20752%0.519CS..PPolyproline II helixtrans-72.9130177.500000109.6M321 H338M321-A336 HydrophobicContact CG-CB 3.61Å; M321-A336 VanDerWaalsContact SD-CA 3.52Å; M321-A336 HydrophobicContact SD-CB 3.59Å; M321-A336 VanDerWaalsContact SD-CB 3.59Å; A336-H338 PolarHBondContact O-N 3.18Å; A336-H338 PolarHBondContact O-ND1 3.43Å
337M90.2Very high90.9Very high130 Ų13088.9 Ų88.964%0.6450%0.496SS*.PPolyproline II helixtrans-66.5124.3175.2-71.8-63.5-82.400110.9K316 F335K316-M337 WeakPolarHBondContact CE-O 3.47Å; F335-M337 PolarHBondContact O-N 3.19Å
338H91.7Very high91Very high132 Ų13284.1 Ų84.161%0.61148%0.476SS*.PPolyproline II helixtrans-70.8147.1179.4-71.365.1000111.2K316 A336K316-H338 WeakPolarHBondContact CE-O 3.44Å; A336-H338 PolarHBondContact O-N 3.18Å; A336-H338 PolarHBondContact O-ND1 3.43Å
339D92.7Very high90.9Very high17 Ų1781.4 Ų81.49%0.09147%0.466CS..  trans-85.6114.1172.317925.2000110.5S314 K316 T341 S342 A345S314-D339 VanDerWaalsContact CB-OD2 3.3Å; S314-D339 WeakPolarHBondContact CB-OD2 3.35Å; S314-D339 VanDerWaalsContact OG-CG 3.3Å; S314-D339 PolarHBondContact OG-OD2 3.29Å; K316-D339 HydrophobicContact CB-CB 4.16Å; K316-D339 HydrophobicContact CD-CB 4.29Å; K316-D339 HydrophobicContact CG-CB 4.16Å; D339-T341 PolarHBondContact OD1-N 3.5Å; D339-S342 WeakPolarHBondContact OD1-CB 3.25Å; D339-S342 PolarHBondContact OD1-N 3.45Å; D339-S342 VanDerWaalsContact OD1-N 3.12Å; D339-S342 PolarHBondContact OD1-OG 3.19Å; D339-S342 WeakPolarHBondContact OD2-CB 3.38Å; D339-S342 PolarHBondContact OD2-OG 3.31Å; D339-A345 VanDerWaalsContact O-CB 3.25Å; D339-A345 WeakPolarHBondContact O-CB 3.16Å
340I92.4Very high90.6Very high136 Ų13680.8 Ų80.870%0.69745%0.449SS*.  trans-117.5-14.417760174.1000112.8
341T93.3Very high90.3Very high116 Ų11680.6 Ų80.671%0.71244%0.442SS*.SBendtrans-98.8-27.4-170.4570000112.7D339D339-T341 PolarHBondContact OD1-N 3.5Å
342S94.4Very high89.9Confident27 Ų2781.6 Ų81.619%0.18944%0.437CS..SBendtrans-68.9155.5-175.984.40000112.1D339 S344 A345 V346D339-S342 WeakPolarHBondContact OD1-CB 3.25Å; D339-S342 PolarHBondContact OD1-N 3.45Å; D339-S342 VanDerWaalsContact OD1-N 3.12Å; D339-S342 PolarHBondContact OD1-OG 3.19Å; D339-S342 WeakPolarHBondContact OD2-CB 3.38Å; D339-S342 PolarHBondContact OD2-OG 3.31Å; S342-S344 PolarHBondContact O-N 3.28Å; S342-S344 VanDerWaalsContact O-N 3.13Å; S342-S344 PolarHBondContact OG-N 3.18Å; S342-S344 PolarHBondContact OG-OG 3.03Å; S342-A345 WeakPolarHBondContact O-CB 3.3Å; S342-A345 PolarHBondContact O-N 2.99Å; S342-A345 PolarHBondContact OG-N 2.82Å; S342-V346 PolarHBondContact O-N 3.04Å; S342-V346 VanDerWaalsContact O-N 3.16Å
343R91.3Very high89.4Confident173 Ų17378.5 Ų78.565%0.65342%0.417SS*.Hα-helixtrans-55.2-33172.3-172.462.4175.9178.80.7112.3A345 V346 L347R343-A345 VanDerWaalsContact C-N 3.35Å; R343-V346 PolarHBondContact O-N 2.85Å; R343-L347 HydrophobicContact CG-CD1 4.17Å; R343-L347 WeakPolarHBondContact O-CB 3.41Å; R343-L347 VanDerWaalsContact O-CG 3.29Å; R343-L347 WeakPolarHBondContact O-CG 3.43Å; R343-L347 PolarHBondContact O-N 2.59Å
344S91.6Very high88.8Confident14 Ų1484.6 Ų84.610%0.09843%0.432CS..Hα-helixtrans-67.7-34.217871.10000113S314 S342 G348 L349S314-S344 PolarHBondContact N-OG 3.05Å; S342-S344 PolarHBondContact O-N 3.28Å; S342-S344 VanDerWaalsContact O-N 3.13Å; S342-S344 PolarHBondContact OG-N 3.18Å; S342-S344 PolarHBondContact OG-OG 3.03Å; S344-G348 PolarHBondContact O-N 3.28Å; S344-L349 PolarHBondContact O-N 3.1Å; S344-L349 VanDerWaalsContact O-N 3.1Å
345A92.6Very high87.8Confident33 Ų3390.3 Ų90.327%0.27344%0.444SS..Hα-helixtrans-68.5-46.2174.700000110.8D339 S342 R343 L347 G348D339-A345 VanDerWaalsContact O-CB 3.25Å; D339-A345 WeakPolarHBondContact O-CB 3.16Å; S342-A345 WeakPolarHBondContact O-CB 3.3Å; S342-A345 PolarHBondContact O-N 2.99Å; S342-A345 PolarHBondContact OG-N 2.82Å; R343-A345 VanDerWaalsContact C-N 3.35Å; A345-L347 VanDerWaalsContact C-N 3.31Å; A345-L347 PolarHBondContact O-N 3.1Å; A345-G348 PolarHBondContact O-N 3.22Å
346V91.9Very high86.9Confident101 Ų10189.9 Ų89.961%0.61245%0.449SS*.Hα-helixtrans-60.2-39.7177178.60000111.9S342 R343 G348S342-V346 PolarHBondContact O-N 3.04Å; S342-V346 VanDerWaalsContact O-N 3.16Å; R343-V346 PolarHBondContact O-N 2.85Å; V346-G348 PolarHBondContact O-N 2.85Å
347L91Very high86.2Confident51 Ų5196.7 Ų96.727%0.26748%0.481SS..THydrogen-bonded Turntrans-73.4-6.9175.6-70.2173.1000113.6H296 R343 A345 L349H296-L347 VanDerWaalsContact CE1-CD1 3.49Å; H296-L347 WeakPolarHBondContact CE1-CD1 3.44Å; R343-L347 HydrophobicContact CG-CD1 4.17Å; R343-L347 WeakPolarHBondContact O-CB 3.41Å; R343-L347 VanDerWaalsContact O-CG 3.29Å; R343-L347 WeakPolarHBondContact O-CG 3.43Å; R343-L347 PolarHBondContact O-N 2.59Å; A345-L347 VanDerWaalsContact C-N 3.31Å; A345-L347 PolarHBondContact O-N 3.1Å; L347-L349 VanDerWaalsContact C-N 3.3Å; L347-L349 HydrophobicContact CB-CD2 3.9Å; L347-L349 HydrophobicContact CB-CG 3.94Å; L347-L349 PolarHBondContact O-N 3.38Å
348G90.3Very high85.9Confident24 Ų2496.7 Ų96.725%0.24747%0.474CS..THydrogen-bonded Turntrans65.229.2-178.600000113.6S344 A345 V346 R350 S351 L352S344-G348 PolarHBondContact O-N 3.28Å; A345-G348 PolarHBondContact O-N 3.22Å; V346-G348 PolarHBondContact O-N 2.85Å; G348-R350 PolarHBondContact O-N 3.1Å; G348-R350 VanDerWaalsContact O-N 3.1Å; G348-S351 PolarHBondContact O-N 3.1Å; G348-S351 VanDerWaalsContact O-N 3.09Å; G348-S351 PolarHBondContact O-OG 3.38Å; G348-L352 WeakPolarHBondContact O-CG 3.31Å; G348-L352 PolarHBondContact O-N 3.12Å; G348-L352 VanDerWaalsContact O-N 3.1Å
349L88.7Confident85.7Confident8 Ų892.6 Ų92.64%0.04246%0.457CS..Hα-helixtrans-58.7-31.9-172.1-62.8-172.5000113.2N311 S344 L347 L352 Q353N311-L349 HydrophobicContact CB-CD1 3.98Å; N311-L349 HydrophobicContact CB-CD2 3.91Å; S344-L349 PolarHBondContact O-N 3.1Å; S344-L349 VanDerWaalsContact O-N 3.1Å; L347-L349 VanDerWaalsContact C-N 3.3Å; L347-L349 HydrophobicContact CB-CD2 3.9Å; L347-L349 HydrophobicContact CB-CG 3.94Å; L347-L349 PolarHBondContact O-N 3.38Å; L349-L352 HydrophobicContact CD2-CD1 4.04Å; L349-L352 PolarHBondContact O-N 3.36Å; L349-Q353 WeakPolarHBondContact O-CG 3.4Å; L349-Q353 PolarHBondContact O-N 3.37Å
350R84.4Confident85.4Confident123 Ų12394 Ų9446%0.46447%0.467SS..Hα-helixtrans-64.5-40.3178-168.8170.2-179.7147.3-7.5113L313 S317 G348L313-R350 HydrophobicContact CD2-CB 3.85Å; L313-R350 HydrophobicContact CD2-CG 4.1Å; S317-R350 PolarHBondContact O-NH1 2.52Å; S317-R350 PolarHBondContact OG-NH1 2.53Å; G348-R350 PolarHBondContact O-N 3.1Å; G348-R350 VanDerWaalsContact O-N 3.1Å
351S82.4Confident85.2Confident82 Ų8292.2 Ų92.257%0.57346%0.458SS*.Hα-helixtrans-73.6-35.2175.564.70000110.5G348 Q353 R354G348-S351 PolarHBondContact O-N 3.1Å; G348-S351 VanDerWaalsContact O-N 3.09Å; G348-S351 PolarHBondContact O-OG 3.38Å; S351-Q353 PolarHBondContact O-N 3.15Å; S351-R354 PolarHBondContact O-N 3.36Å
352L78.3Confident84.9Confident65 Ų6589.5 Ų89.534%0.3444%0.44SS..Hα-helixtrans-65.4-34.2175.7-68.6173.7000112.8K298 G348 L349 R354K298-L352 HydrophobicContact CD-CB 4.13Å; K298-L352 HydrophobicContact CD-CD2 3.96Å; K298-L352 VanDerWaalsContact CE-O 3.24Å; K298-L352 WeakPolarHBondContact CE-O 3.33Å; K298-L352 PolarHBondContact NZ-O 3.27Å; G348-L352 WeakPolarHBondContact O-CG 3.31Å; G348-L352 PolarHBondContact O-N 3.12Å; G348-L352 VanDerWaalsContact O-N 3.1Å; L349-L352 HydrophobicContact CD2-CD1 4.04Å; L349-L352 PolarHBondContact O-N 3.36Å; L352-R354 VanDerWaalsContact C-N 3.28Å; L352-R354 PolarHBondContact O-N 3.5Å
353Q78.9Confident84.2Confident113 Ų11395.6 Ų95.653%0.52846%0.46SS..THydrogen-bonded Turntrans-76.6-12.5178.9-74.3-172-0.200114.1N311 L313 L349 S351 R355N311-Q353 PolarHBondContact O-NE2 3.34Å; L313-Q353 VanDerWaalsContact CD1-CD 3.41Å; L349-Q353 WeakPolarHBondContact O-CG 3.4Å; L349-Q353 PolarHBondContact O-N 3.37Å; S351-Q353 PolarHBondContact O-N 3.15Å; Q353-R355 PolarHBondContact O-N 3.25Å
354R78.3Confident83.5Confident180 Ų18089.1 Ų89.168%0.67944%0.44SS*.SBendtrans-64.3126.8175.9-69-170.7176.6-166.9-0.8109.9S351 L352 N356S351-R354 PolarHBondContact O-N 3.36Å; L352-R354 VanDerWaalsContact C-N 3.28Å; L352-R354 PolarHBondContact O-N 3.5Å; R354-N356 PolarHBondContact O-N 2.89Å
355R69.9Low82.7Confident188 Ų18899.3 Ų99.371%0.70948%0.476SS*.  trans-69124.1171.1-66.9-178.4-176.5165.73.9107.7Q353 L357Q353-R355 PolarHBondContact O-N 3.25Å; R355-L357 HydrophobicContact CB-CD1 4.08Å; R355-L357 WeakPolarHBondContact O-CD1 3.29Å; R355-L357 PolarHBondContact O-N 3.32Å
356N70.6Confident81.2Confident149 Ų149103.9 Ų103.980%0.79750%0.5SS*.  trans-79.4105.7167.5-73.8-26.6000107.3R354 R358R354-N356 PolarHBondContact O-N 2.89Å; N356-R358 PolarHBondContact O-N 3.47Å
357L75.5Confident79.5Confident168 Ų168104.7 Ų104.788%0.8850%0.496SS*.  trans-77.3-3.2178.3-8181.2000113.2R355R355-L357 HydrophobicContact CB-CD1 4.08Å; R355-L357 WeakPolarHBondContact O-CD1 3.29Å; R355-L357 PolarHBondContact O-N 3.32Å
358R83.7Confident77.5Confident131 Ų131111.1 Ų111.149%0.49452%0.522SS..SBendtrans-89.3145.5-173.5-163.6171.8-176.1-168.1-2.9111.7N356 P360 D362 Y363N356-R358 PolarHBondContact O-N 3.47Å; R358-P360 WeakPolarHBondContact O-CD 3.44Å; R358-D362 HydrophobicContact CG-CB 4.19Å; R358-D362 IonicContact CZ-OD2 3.93Å; R358-D362 VanDerWaalsContact NE-CB 3.31Å; R358-D362 IonicContact NE-OD2 3.16Å; R358-D362 PolarHBondContact NE-OD2 2.94Å; R358-D362 VanDerWaalsContact NE-OD2 3.16Å; R358-D362 IonicContact NH2-OD2 3.84Å; R358-Y363 PolarHBondContact NH1-O 3.31Å; R358-Y363 PolarHBondContact NH2-O 3.37Å
359N87.6Confident75.7Confident46 Ų46121.6 Ų121.625%0.24655%0.553CS.*  trans-51121.7165.6171.89.5000110.1G283 N361 D362G283-N359 WeakPolarHBondContact CA-OD1 3.48Å; N359-N361 PolarHBondContact O-N 3.25Å; N359-N361 VanDerWaalsContact O-N 3.12Å; N359-N361 PolarHBondContact OD1-N 3.2Å; N359-D362 PolarHBondContact ND2-OD1 3.16Å; N359-D362 WeakPolarHBondContact O-CB 3.48Å; N359-D362 PolarHBondContact O-N 2.84Å
360P86.9Confident73.9Confident47 Ų47124.8 Ų124.831%0.30559%0.588SS.*THydrogen-bonded Turntrans-58.8-25.4-178.6-27.136.2000114.8F286 R358 D362 K367F286-P360 HydrophobicContact CB-CB 4.11Å; F286-P360 HydrophobicContact CD1-CB 4.18Å; F286-P360 HydrophobicContact CD1-CG 3.83Å; F286-P360 HydrophobicContact CD2-CB 3.96Å; F286-P360 HydrophobicContact CD2-CG 4.12Å; F286-P360 HydrophobicContact CE1-CG 3.9Å; F286-P360 HydrophobicContact CE2-CB 4.42Å; F286-P360 HydrophobicContact CE2-CG 4.15Å; F286-P360 HydrophobicContact CG-CB 3.83Å; F286-P360 HydrophobicContact CG-CG 3.96Å; F286-P360 HydrophobicContact CZ-CG 4.06Å; R358-P360 WeakPolarHBondContact O-CD 3.44Å; P360-D362 VanDerWaalsContact C-N 3.34Å; P360-K367 PolarHBondContact O-NZ 2.9Å
361N87.9Confident71.9Confident97 Ų97122.1 Ų122.152%0.51960%0.6SS.*THydrogen-bonded Turntrans-82.7-12.5-179.3-65.7-17.8000113.2K285 F286 N359K285-N361 PolarHBondContact O-ND2 3.28Å; F286-N361 VanDerWaalsContact CB-OD1 3.31Å; F286-N361 WeakPolarHBondContact CB-OD1 3.26Å; N359-N361 PolarHBondContact O-N 3.25Å; N359-N361 VanDerWaalsContact O-N 3.12Å; N359-N361 PolarHBondContact OD1-N 3.2Å
362D86.3Confident70.1Confident60 Ų60128 Ų12832%0.32161%0.614SS.*SBendtrans-68.7144.9177.6-73.70.6000111.2R358 N359 P360 T364R358-D362 HydrophobicContact CG-CB 4.19Å; R358-D362 IonicContact CZ-OD2 3.93Å; R358-D362 VanDerWaalsContact NE-CB 3.31Å; R358-D362 IonicContact NE-OD2 3.16Å; R358-D362 PolarHBondContact NE-OD2 2.94Å; R358-D362 VanDerWaalsContact NE-OD2 3.16Å; R358-D362 IonicContact NH2-OD2 3.84Å; N359-D362 PolarHBondContact ND2-OD1 3.16Å; N359-D362 WeakPolarHBondContact O-CB 3.48Å; N359-D362 PolarHBondContact O-N 2.84Å; P360-D362 VanDerWaalsContact C-N 3.34Å; D362-T364 PolarHBondContact O-N 3.31Å
363Y80.9Confident68.5Low155 Ų155134.7 Ų134.761%0.60864%0.641SS**  trans-63.3126.3173.5169.9-100000111.6R358R358-Y363 PolarHBondContact NH1-O 3.31Å; R358-Y363 PolarHBondContact NH2-O 3.37Å
364T76.8Confident66.5Low37 Ų37144.3 Ų144.323%0.22767%0.672CS.*  trans-111.1145.8167.762.20000109.3D362 T366 K367D362-T364 PolarHBondContact O-N 3.31Å; T364-T366 PolarHBondContact O-N 3.03Å; T364-T366 PolarHBondContact OG1-OG1 3.16Å; T364-K367 PolarHBondContact O-N 3.45Å; T364-K367 WeakPolarHBondContact OG1-CG 3.49Å; T364-K367 PolarHBondContact OG1-N 3.22Å
365R73.1Confident65.9Low228 Ų228142.5 Ų142.586%0.8667%0.672SS**THydrogen-bonded Turntrans-52.3-27.9176-70.3-179.7118.3179.11.3113
366T62.6Low65.7Low128 Ų128140.1 Ų140.179%0.78567%0.67SS**THydrogen-bonded Turntrans-77.8-27.317851.40000114.1T364 K368T364-T366 PolarHBondContact O-N 3.03Å; T364-T366 PolarHBondContact OG1-OG1 3.16Å; T366-K368 PolarHBondContact O-N 3Å
367K56.6Low65.5Low118 Ų118139.6 Ų139.651%0.51366%0.663SS.*  trans-82.468.6173.3-75.1179.7-179.5-178.90108.8P360 T364 R369P360-K367 PolarHBondContact O-NZ 2.9Å; T364-K367 PolarHBondContact O-N 3.45Å; T364-K367 WeakPolarHBondContact OG1-CG 3.49Å; T364-K367 PolarHBondContact OG1-N 3.22Å; K367-R369 PolarHBondContact O-N 2.69Å; K367-R369 VanDerWaalsContact O-N 3.16Å
368K48.7Very low64.9Low187 Ų187137.9 Ų137.981%0.81365%0.65SS**  trans-57.6120.9157.4-83.8-174.2176.1-179.90106T366 G370T366-K368 PolarHBondContact O-N 3Å; K368-G370 PolarHBondContact O-N 3.13Å
369R51Low63.7Low243 Ų243138.4 Ų138.492%0.91766%0.66SS**  trans-45.4121.2169.2-83.2-179.4167.3-180-3.7106.2K367 G371K367-R369 PolarHBondContact O-N 2.69Å; K367-R369 VanDerWaalsContact O-N 3.16Å; R369-G371 PolarHBondContact O-N 3.28Å
370G51.4Low62.1Low75 Ų75144.5 Ų144.577%0.77369%0.688SS**  trans-46.3112.117400000106.9K368 K372K368-G370 PolarHBondContact O-N 3.13Å; G370-K372 PolarHBondContact O-N 3.3Å
371G43Very low60.3Low68 Ų68151.5 Ų151.570%0.70172%0.715SS**  trans-54.6117.417300000105.3R369 K373R369-G371 PolarHBondContact O-N 3.28Å; G371-K373 PolarHBondContact O-N 3.49Å
372K44.7Very low58.2Low204 Ų204155.7 Ų155.789%0.88773%0.73SS**  trans-50.4101.6155.8-98.4176.1169.11770104.6G370 R374G370-K372 PolarHBondContact O-N 3.3Å; K372-R374 VanDerWaalsContact C-N 3.27Å; K372-R374 PolarHBondContact O-N 3.09Å
373K43.8Very low55.9Low206 Ų206163.7 Ų163.790%0.89676%0.764SS**  trans-59.5107153.1-76.8-172.3173.6-175.50103.6G371G371-K373 PolarHBondContact O-N 3.49Å
374R38Very low53.6Low315 Ų315164.5 Ų164.5100%1.18978%0.778SS**  trans-64.60157.8-94.9-175.5165.7177.1-4.2108.2K372K372-R374 VanDerWaalsContact C-N 3.27Å; K372-R374 PolarHBondContact O-N 3.09Å

Retrieved 374 of 374 residues in 146.4 ms (Link to these results)

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