A0A087YMY1_POEFO Loading...

Inactive tyrosine-protein kinase 7

AlphaFold DB , UniProt , Accession A0A087YMY1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,023 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
1M68.4Low84.4Confident183 Ų18385.8 Ų85.890%0.90147%0.471SS*.  01380-74.9179.6172.600108.9K78 A79 S80M1-K78 PolarHBondContact N-O 3.48Å; M1-A79 CarbonylContact O-C 3.53Å; M1-A79 WeakPolarHBondContact O-CA 3.4Å; M1-S80 PolarHBondContact O-N 2.81Å
2S76.4Confident84.9Confident89 Ų8982.6 Ų82.662%0.62245%0.451SS*.EExtended strand (participates in β ladder)trans-108.2136.7174.766.80000111.2S80S2-S80 CarbonylContact C-O 3.5Å; S2-S80 VanDerWaalsContact CA-O 3.25Å; S2-S80 WeakPolarHBondContact CA-O 3.36Å
3Q83.1Confident85.3Confident96 Ų9676.8 Ų76.845%0.44942%0.42SS..EExtended strand (participates in β ladder)trans-110.9135.6175.1-176.417717.400109.7A5 S80 F81 N82Q3-A5 PolarHBondContact O-N 3.06Å; Q3-S80 PolarHBondContact N-O 3.25Å; Q3-F81 HydrophobicContact CB-CD1 4.2Å; Q3-F81 HydrophobicContact CB-CE1 4.42Å; Q3-F81 CarbonylContact O-C 3.55Å; Q3-F81 VanDerWaalsContact O-CA 3.26Å; Q3-F81 WeakPolarHBondContact O-CA 3.26Å; Q3-N82 PolarHBondContact O-N 2.9Å
4D86.3Confident85.6Confident87 Ų8783 Ų8347%0.46543%0.434SS..EExtended strand (participates in β ladder)trans-69.4131.9172-80.2-9.4000110.1N82 K84D4-N82 WeakPolarHBondContact OD1-CB 3.31Å; D4-N82 PolarHBondContact OD1-ND2 2.83Å; D4-K84 WeakPolarHBondContact OD2-CE 3.1Å; D4-K84 IonicContact OD2-NZ 3.97Å; D4-K84 PolarHBondContact OD2-NZ 3.33Å
5A87Confident85.7Confident9 Ų978.3 Ų78.37%0.07441%0.41CS..EExtended strand (participates in β ladder)trans-133.7151.2172.700000110.1Q3 V52 F81 N82 I83 K84Q3-A5 PolarHBondContact O-N 3.06Å; A5-V52 HydrophobicContact CB-CB 4.28Å; A5-V52 HydrophobicContact CB-CG1 3.96Å; A5-V52 HydrophobicContact CB-CG2 4.05Å; A5-F81 HydrophobicContact CB-CB 4.1Å; A5-F81 HydrophobicContact CB-CD1 3.64Å; A5-F81 HydrophobicContact CB-CE1 4.21Å; A5-F81 HydrophobicContact CB-CG 3.91Å; A5-N82 PolarHBondContact N-O 3.35Å; A5-N82 VanDerWaalsContact N-O 3.09Å; A5-I83 CarbonylContact O-C 3.57Å; A5-I83 WeakPolarHBondContact O-CA 3.31Å; A5-K84 PolarHBondContact O-N 3.08Å
6L87.6Confident85.7Confident68 Ų6883 Ų8336%0.35643%0.429SS..EExtended strand (participates in β ladder)trans-98.8133.4173.4-63.8-178.6000108.9G8 R9 K84 A166L6-G8 PolarHBondContact O-N 2.93Å; L6-R9 HydrophobicContact CB-CB 4.07Å; L6-R9 HydrophobicContact CB-CG 3.75Å; L6-R9 HydrophobicContact CD1-CG 4.36Å; L6-R9 PolarHBondContact O-N 2.88Å; L6-R9 VanDerWaalsContact O-N 3.09Å; L6-K84 HydrophobicContact CD2-CB 3.84Å; L6-K84 HydrophobicContact CD2-CD 4.46Å; L6-A166 HydrophobicContact CD2-CB 4.27Å
7H88.3Confident85.6Confident79 Ų7981.2 Ų81.237%0.36642%0.423SS..THydrogen-bonded Turntrans-55.6131.7172.7179.653.3000110.3R9 V52 D53 R54 I83 K84 W85H7-R9 VanDerWaalsContact C-N 3.34Å; H7-V52 CarbonylContact C-O 3.52Å; H7-V52 WeakPolarHBondContact CA-O 3.49Å; H7-V52 PolarHBondContact ND1-O 2.84Å; H7-V52 VanDerWaalsContact ND1-O 3.1Å; H7-D53 IonicContact CE1-OD2 3Å; H7-R54 PolarHBondContact ND1-N 3.46Å; H7-I83 HydrophobicContact CB-CG2 3.98Å; H7-K84 PolarHBondContact N-O 3.13Å; H7-W85 HydrophobicContact CB-CB 3.85Å
8G84.4Confident85.4Confident46 Ų4684 Ų8447%0.47445%0.451SS..THydrogen-bonded Turntrans82.5-0.2-178.800000115.5L6 V52L6-G8 PolarHBondContact O-N 2.93Å; G8-V52 PolarHBondContact N-O 3.43Å
9R87.1Confident85.1Confident173 Ų17384.6 Ų84.665%0.65345%0.454SS*.SBendtrans-106.9151177.7-63.7-65.1-171.3161.7-0.5111.8L6 H7 A51 V52L6-R9 HydrophobicContact CB-CB 4.07Å; L6-R9 HydrophobicContact CB-CG 3.75Å; L6-R9 HydrophobicContact CD1-CG 4.36Å; L6-R9 PolarHBondContact O-N 2.88Å; L6-R9 VanDerWaalsContact O-N 3.09Å; H7-R9 VanDerWaalsContact C-N 3.34Å; R9-A51 CarbonylContact O-C 3.53Å; R9-A51 WeakPolarHBondContact O-CA 3.19Å; R9-V52 WeakPolarHBondContact O-CG2 3.26Å; R9-V52 PolarHBondContact O-N 3.04Å
10S89.2Confident84.5Confident93 Ų9384.7 Ų84.765%0.6546%0.459SS*.  trans-67.2142.217860.60000111.9F49 T50S10-F49 CarbonylContact C-O 3.6Å; S10-F49 WeakPolarHBondContact CA-O 3.32Å; S10-F49 WeakPolarHBondContact CB-O 3.49Å; S10-T50 VanDerWaalsContact CA-O 3.26Å; S10-T50 WeakPolarHBondContact CA-O 3.22Å; S10-T50 VanDerWaalsContact CB-O 3.31Å; S10-T50 WeakPolarHBondContact CB-O 2.96Å; S10-T50 PolarHBondContact N-O 3.13Å
11A90.4Very high84.3Confident21 Ų2184.7 Ų84.717%0.17446%0.462CS..EExtended strand (participates in β ladder)trans-143.4168.3173.100000110.7F49 V52 F81A11-F49 PolarHBondContact N-O 3.44Å; A11-F49 PolarHBondContact O-N 2.82Å; A11-V52 HydrophobicContact CB-CG2 3.39Å; A11-F81 HydrophobicContact CB-CE1 3.76Å; A11-F81 HydrophobicContact CB-CE2 4.42Å; A11-F81 HydrophobicContact CB-CZ 3.57Å
12M90.6Very high84.8Confident47 Ų4781.3 Ų81.323%0.23245%0.447CS..EExtended strand (participates in β ladder)trans-148.1133.3178.1177.2174.754.100110.5R14 N46 L47 K48M12-R14 HydrophobicContact CE-CG 4.34Å; M12-R14 VanDerWaalsContact CE-NE 3.32Å; M12-R14 HydrophobicContact CG-CG 4.39Å; M12-N46 HydrophobicContact CG-CB 3.9Å; M12-N46 HydrophobicContact SD-CB 3.51Å; M12-N46 VanDerWaalsContact SD-CB 3.51Å; M12-L47 CarbonylContact C-O 3.51Å; M12-L47 WeakPolarHBondContact CA-O 3.28Å; M12-K48 HydrophobicContact CB-CG 4.12Å; M12-K48 HydrophobicContact CG-CG 3.73Å; M12-K48 HydrophobicContact SD-CD 4.08Å; M12-K48 WeakPolarHBondContact SD-CE 3.39Å; M12-K48 HydrophobicContact SD-CG 3.57Å; M12-K48 VanDerWaalsContact SD-CG 3.57Å
13M89.8Confident85.3Confident8 Ų878.4 Ų78.44%0.03943%0.425CS..EExtended strand (participates in β ladder)trans-99.2136.5167.5-62-166.6-179.900109.3W27 N46 L47 F49 F61 A79 F81M13-W27 HydrophobicContact CB-CH2 3.76Å; M13-W27 HydrophobicContact CB-CZ2 4.33Å; M13-W27 HydrophobicContact CB-CZ3 4.21Å; M13-N46 CarbonylContact O-C 3.53Å; M13-N46 WeakPolarHBondContact O-CA 3.5Å; M13-L47 HydrophobicContact CB-CB 4.48Å; M13-L47 PolarHBondContact N-O 2.72Å; M13-L47 PolarHBondContact O-N 2.81Å; M13-F49 HydrophobicContact CG-CE2 4.29Å; M13-F61 HydrophobicContact CE-CB 4.45Å; M13-F61 HydrophobicContact CE-CD2 3.52Å; M13-F61 HydrophobicContact CE-CE2 4.09Å; M13-F61 HydrophobicContact CE-CG 4.19Å; M13-F61 HydrophobicContact SD-CB 3.64Å; M13-F61 HydrophobicContact SD-CD2 3.81Å; M13-F61 HydrophobicContact SD-CG 3.85Å; M13-A79 HydrophobicContact SD-CB 3.9Å; M13-F81 HydrophobicContact CE-CD1 3.86Å; M13-F81 HydrophobicContact CE-CD2 3.74Å; M13-F81 HydrophobicContact CE-CE1 3.68Å; M13-F81 HydrophobicContact CE-CE2 3.59Å; M13-F81 HydrophobicContact CE-CG 3.88Å; M13-F81 HydrophobicContact CE-CZ 3.54Å; M13-F81 HydrophobicContact CG-CE1 4.3Å; M13-F81 HydrophobicContact CG-CZ 3.97Å
14R89.3Confident85.6Confident163 Ų16376.7 Ų76.762%0.61542%0.421SS*.EExtended strand (participates in β ladder)trans-111.1137.9-177.8-54.6-166-179.7172.9-0.9110.9M12 N46M12-R14 HydrophobicContact CE-CG 4.34Å; M12-R14 VanDerWaalsContact CE-NE 3.32Å; M12-R14 HydrophobicContact CG-CG 4.39Å; R14-N46 WeakPolarHBondContact CA-OD1 3.4Å; R14-N46 WeakPolarHBondContact CB-OD1 3.42Å; R14-N46 VanDerWaalsContact CG-OD1 3.23Å; R14-N46 WeakPolarHBondContact CG-OD1 3.37Å
15C88.4Confident85.8Confident12 Ų1274.3 Ų74.38%0.08141%0.406CS..  trans-119.9110172.2-176.10000108.3Y25 W27 G45 C63C15-Y25 HydrophobicContact CB-CD1 4.3Å; C15-Y25 HydrophobicContact CB-CE1 4.37Å; C15-Y25 WeakPolarHBondContact O-CE1 3.4Å; C15-W27 HydrophobicContact CB-CH2 4.06Å; C15-W27 HydrophobicContact CB-CZ2 3.49Å; C15-W27 VanDerWaalsContact CB-CZ2 3.49Å; C15-G45 WeakPolarHBondContact CB-O 3.46Å; C15-G45 PolarHBondContact N-O 3.07Å; C15-C63 HydrophobicContact CB-CB 3.46Å; C15-C63 VanDerWaalsContact CB-CB 3.46Å; C15-C63 WeakPolarHBondContact CB-SG 3.2Å; C15-C63 WeakPolarHBondContact SG-CB 3.29Å; C15-C63 CovalentContact SG-SG 2.04Å; C15-C63 PolarHBondContact SG-SG 2.78Å
16E84.9Confident85.9Confident154 Ų15474.4 Ų74.472%0.7241%0.406SS*.  trans-110.8138.8-175.3-64.5178.2-175.800109.4
17V84.1Confident86.2Confident52 Ų5271.5 Ų71.532%0.31539%0.39SS..  trans-125.2153.8171.9-590000109.8D19 P20 I23 Y25 V65V17-D19 PolarHBondContact O-N 3.29Å; V17-P20 HydrophobicContact CG2-CB 4.26Å; V17-I23 HydrophobicContact CG2-CD1 3.44Å; V17-I23 VanDerWaalsContact CG2-CD1 3.44Å; V17-Y25 HydrophobicContact CG1-CE1 4.37Å; V17-V65 HydrophobicContact CG1-CB 4.29Å; V17-V65 HydrophobicContact CG1-CG1 4.1Å; V17-V65 HydrophobicContact CG1-CG2 3.8Å
18S82.6Confident86.2Confident132 Ų13270 Ų7092%0.92338%0.381SS*.SBendtrans-68.4-31.9-175.549.80000114.2
19D78.9Confident86.5Confident96 Ų9669.9 Ų69.951%0.51337%0.369SS..  trans-134.1109.4175.5-176.7-8.7000110.2V17 T21V17-D19 PolarHBondContact O-N 3.29Å; D19-T21 PolarHBondContact O-N 2.73Å; D19-T21 PolarHBondContact OD1-N 3.25Å; D19-T21 PolarHBondContact OD1-OG1 3.15Å
20P74.3Confident86.4Confident85 Ų8563.4 Ų63.455%0.55236%0.355SS*.  trans-9117.7-172.835.3-34.5000115.2V17 I23V17-P20 HydrophobicContact CG2-CB 4.26Å; P20-I23 HydrophobicContact CB-CD1 3.88Å; P20-I23 WeakPolarHBondContact O-CG1 3.49Å
21T78.8Confident86.1Confident85 Ų8566.4 Ų66.452%0.52136%0.364SS..THydrogen-bonded Turntrans-78.2134.4179.2540000112.6D19 I23D19-T21 PolarHBondContact O-N 2.73Å; D19-T21 PolarHBondContact OD1-N 3.25Å; D19-T21 PolarHBondContact OD1-OG1 3.15Å; T21-I23 VanDerWaalsContact C-N 3.29Å; T21-I23 WeakPolarHBondContact O-CG2 3.45Å; T21-I23 PolarHBondContact O-N 3.47Å
22N80.6Confident86Confident112 Ų11273.1 Ų73.160%0.59939%0.39SS*.THydrogen-bonded Turntrans54.234.7179.3-68.1-21.1000115.5H68 A69N22-H68 PolarHBondContact O-CD2 2.93Å; N22-H68 PolarHBondContact O-N 2.62Å; N22-A69 HydrophobicContact CB-CB 4.5Å
23I86.8Confident85.9Confident29 Ų2977.9 Ų77.915%0.14941%0.405CS..EExtended strand (participates in β ladder)trans-106158.4178.467.2174.9000113.6V17 P20 T21 Y25 V65 L66 N67V17-I23 HydrophobicContact CG2-CD1 3.44Å; V17-I23 VanDerWaalsContact CG2-CD1 3.44Å; P20-I23 HydrophobicContact CB-CD1 3.88Å; P20-I23 WeakPolarHBondContact O-CG1 3.49Å; T21-I23 VanDerWaalsContact C-N 3.29Å; T21-I23 WeakPolarHBondContact O-CG2 3.45Å; T21-I23 PolarHBondContact O-N 3.47Å; I23-Y25 HydrophobicContact CD1-CD2 4.38Å; I23-Y25 HydrophobicContact CD1-CE1 4.17Å; I23-Y25 HydrophobicContact CD1-CE2 3.44Å; I23-Y25 VanDerWaalsContact CD1-CE2 3.44Å; I23-Y25 WeakPolarHBondContact CD1-OH 3.47Å; I23-Y25 HydrophobicContact CG1-CE2 3.96Å; I23-V65 HydrophobicContact CB-CG1 3.85Å; I23-V65 HydrophobicContact CD1-CG1 3.99Å; I23-V65 HydrophobicContact CG1-CG1 4.43Å; I23-V65 HydrophobicContact CG2-CG1 4.16Å; I23-L66 CarbonylContact C-O 3.55Å; I23-L66 VanDerWaalsContact CA-O 3.24Å; I23-L66 WeakPolarHBondContact CA-O 3.43Å; I23-N67 HydrophobicContact CG2-CB 4.13Å
24T87.8Confident85.9Confident60 Ų6078.6 Ų78.637%0.36841%0.409SS..EExtended strand (participates in β ladder)trans-132.2132.9168.2-60.30000110.4V65 L66 H68T24-V65 WeakPolarHBondContact O-CA 3.48Å; T24-L66 PolarHBondContact N-O 2.83Å; T24-L66 PolarHBondContact O-N 2.84Å; T24-H68 PolarHBondContact OG1-NE2 3.46Å
25Y91.1Very high85.8Confident36 Ų3676 Ų7614%0.14141%0.411CS..EExtended strand (participates in β ladder)trans-92.9146.4177.5-61.8-90.3000110.9C15 V17 I23 Q42 Q64 V65C15-Y25 HydrophobicContact CB-CD1 4.3Å; C15-Y25 HydrophobicContact CB-CE1 4.37Å; C15-Y25 WeakPolarHBondContact O-CE1 3.4Å; V17-Y25 HydrophobicContact CG1-CE1 4.37Å; I23-Y25 HydrophobicContact CD1-CD2 4.38Å; I23-Y25 HydrophobicContact CD1-CE1 4.17Å; I23-Y25 HydrophobicContact CD1-CE2 3.44Å; I23-Y25 VanDerWaalsContact CD1-CE2 3.44Å; I23-Y25 WeakPolarHBondContact CD1-OH 3.47Å; I23-Y25 HydrophobicContact CG1-CE2 3.96Å; Y25-Q42 PolarHBondContact O-NE2 3.26Å; Y25-Q42 PolarHBondContact O-OE1 2.82Å; Y25-Q64 CarbonylContact C-O 3.52Å; Y25-Q64 WeakPolarHBondContact CA-O 3Å; Y25-V65 HydrophobicContact CD1-CG1 4.45Å; Y25-V65 HydrophobicContact CD1-CG2 3.6Å; Y25-V65 HydrophobicContact CE1-CG1 4.36Å; Y25-V65 HydrophobicContact CE1-CG2 3.71Å
26S90.4Very high85.8Confident12 Ų1280.3 Ų80.38%0.08443%0.433CS..EExtended strand (participates in β ladder)trans-146.4120.3171.7-72.40000110.2Y28 R33 Q64S26-Y28 WeakPolarHBondContact O-CD2 3.22Å; S26-Y28 WeakPolarHBondContact O-CE2 3.39Å; S26-R33 PolarHBondContact OG-NE 2.81Å; S26-R33 PolarHBondContact OG-NH2 2.87Å; S26-Q64 PolarHBondContact N-O 3.46Å; S26-Q64 PolarHBondContact O-N 3.18Å
27W92.2Very high86Confident6 Ų676.3 Ų76.32%0.02342%0.42CS..EExtended strand (participates in β ladder)trans-88.3147.3178-75.992.9000112.8M13 C15 L34 Q42 G45 L47 F61 C63M13-W27 HydrophobicContact CB-CH2 3.76Å; M13-W27 HydrophobicContact CB-CZ2 4.33Å; M13-W27 HydrophobicContact CB-CZ3 4.21Å; C15-W27 HydrophobicContact CB-CH2 4.06Å; C15-W27 HydrophobicContact CB-CZ2 3.49Å; C15-W27 VanDerWaalsContact CB-CZ2 3.49Å; W27-L34 HydrophobicContact CB-CB 4.43Å; W27-L34 HydrophobicContact CB-CD1 4.14Å; W27-L34 WeakPolarHBondContact O-CB 3.49Å; W27-L34 PolarHBondContact O-N 2.89Å; W27-Q42 VanDerWaalsContact CD1-OE1 3.32Å; W27-G45 WeakPolarHBondContact CZ2-O 3.28Å; W27-G45 PolarHBondContact NE1-O 2.96Å; W27-L47 HydrophobicContact CB-CD1 4.21Å; W27-L47 HydrophobicContact CB-CD2 4.14Å; W27-L47 HydrophobicContact CD2-CB 3.71Å; W27-L47 HydrophobicContact CD2-CD2 4.07Å; W27-L47 HydrophobicContact CD2-CG 4.42Å; W27-L47 HydrophobicContact CE3-CB 4.29Å; W27-L47 HydrophobicContact CE3-CD2 4.09Å; W27-L47 HydrophobicContact CG-CB 3.86Å; W27-L47 HydrophobicContact CG-CD1 4.21Å; W27-L47 HydrophobicContact CG-CD2 4.11Å; W27-L47 HydrophobicContact CG-CG 4.3Å; W27-L47 HydrophobicContact CZ2-CB 4.11Å; W27-F61 HydrophobicContact CE3-CB 4.27Å; W27-F61 HydrophobicContact CZ3-CB 4.2Å; W27-C63 HydrophobicContact CD2-CB 3.83Å; W27-C63 HydrophobicContact CE3-CB 3.83Å; W27-C63 HydrophobicContact CH2-CB 3.85Å; W27-C63 HydrophobicContact CZ2-CB 3.86Å; W27-C63 HydrophobicContact CZ3-CB 3.83Å
28Y89.9Confident86.1Confident47 Ų4782.9 Ų82.918%0.18445%0.447CS..EExtended strand (participates in β ladder)trans-130142.1177.7-64.7-102.6000109.5S26 K32 R33 F61 S62 Q64S26-Y28 WeakPolarHBondContact O-CD2 3.22Å; S26-Y28 WeakPolarHBondContact O-CE2 3.39Å; Y28-K32 CarbonylContact C-O 3.52Å; Y28-K32 WeakPolarHBondContact CA-O 3.24Å; Y28-R33 VanDerWaalsContact CD1-CA 3.41Å; Y28-R33 HydrophobicContact CD1-CB 3.85Å; Y28-R33 HydrophobicContact CD1-CG 4.41Å; Y28-R33 VanDerWaalsContact CD1-N 3.33Å; Y28-R33 HydrophobicContact CE1-CB 3.5Å; Y28-R33 HydrophobicContact CE1-CG 3.94Å; Y28-R33 HydrophobicContact CE2-CG 4.45Å; Y28-F61 CarbonylContact O-C 3.56Å; Y28-F61 WeakPolarHBondContact O-CA 3.34Å; Y28-S62 PolarHBondContact N-O 2.8Å; Y28-S62 PolarHBondContact O-N 2.82Å; Y28-Q64 HydrophobicContact CD2-CB 4.23Å; Y28-Q64 HydrophobicContact CE2-CB 3.64Å; Y28-Q64 PolarHBondContact OH-OE1 2.8Å
29Q90.1Very high86.4Confident45 Ų4579.6 Ų79.621%0.2141%0.414CS..EExtended strand (participates in β ladder)trans-111.4117.3165.7-172.7179.89.200107.4N31 K32 L34 L56 A58 N60 F61Q29-N31 PolarHBondContact O-N 2.81Å; Q29-K32 PolarHBondContact N-O 3.06Å; Q29-K32 PolarHBondContact O-N 2.92Å; Q29-K32 VanDerWaalsContact O-N 3.12Å; Q29-L34 HydrophobicContact CB-CD1 4.19Å; Q29-L34 HydrophobicContact CB-CD2 3.67Å; Q29-L34 HydrophobicContact CB-CG 4.22Å; Q29-L56 PolarHBondContact NE2-O 3.19Å; Q29-L56 VanDerWaalsContact NE2-O 3.08Å; Q29-A58 PolarHBondContact NE2-O 3.04Å; Q29-N60 CarbonylContact C-O 3.25Å; Q29-N60 WeakPolarHBondContact CA-O 3.11Å; Q29-F61 HydrophobicContact CB-CD1 3.93Å; Q29-F61 HydrophobicContact CB-CE1 3.76Å; Q29-F61 HydrophobicContact CB-CZ 4.47Å; Q29-F61 HydrophobicContact CG-CD1 4.11Å; Q29-F61 HydrophobicContact CG-CE1 3.67Å; Q29-F61 HydrophobicContact CG-CE2 4.46Å; Q29-F61 HydrophobicContact CG-CZ 3.87Å
30G85.2Confident87Confident36 Ų3676.6 Ų76.637%0.37140%0.396SS..THydrogen-bonded Turntrans60-118.7-163.500000110.4N60G30-N60 PolarHBondContact N-O 2.93Å
31N81.8Confident87.8Confident157 Ų15775.8 Ų75.884%0.8438%0.384SS*.THydrogen-bonded Turntrans-105.93.6176.8-67.8-7.2000113.1Q29Q29-N31 PolarHBondContact O-N 2.81Å
32K88.1Confident88.4Confident162 Ų16274.2 Ų74.270%0.70437%0.371SS*.EExtended strand (participates in β ladder)trans-97.7126.4-176.1-173.4176.7177.9-179.60110.4Y28 Q29 L34Y28-K32 CarbonylContact C-O 3.52Å; Y28-K32 WeakPolarHBondContact CA-O 3.24Å; Q29-K32 PolarHBondContact N-O 3.06Å; Q29-K32 PolarHBondContact O-N 2.92Å; Q29-K32 VanDerWaalsContact O-N 3.12Å; K32-L34 PolarHBondContact O-N 2.81Å
33R88.8Confident88.7Confident147 Ų14773.6 Ų73.656%0.55536%0.364SS*.EExtended strand (participates in β ladder)trans-64.4133.8173.9-166.5176.4-179.2-160.51.8109.6S26 Y28S26-R33 PolarHBondContact OG-NE 2.81Å; S26-R33 PolarHBondContact OG-NH2 2.87Å; Y28-R33 VanDerWaalsContact CD1-CA 3.41Å; Y28-R33 HydrophobicContact CD1-CB 3.85Å; Y28-R33 HydrophobicContact CD1-CG 4.41Å; Y28-R33 VanDerWaalsContact CD1-N 3.33Å; Y28-R33 HydrophobicContact CE1-CB 3.5Å; Y28-R33 HydrophobicContact CE1-CG 3.94Å; Y28-R33 HydrophobicContact CE2-CG 4.45Å
34L89.7Confident88.7Confident22 Ų2274.7 Ų74.712%0.11538%0.383CS..PPolyproline II helixtrans-84.9140.9177.9-61.3-174.9000110.2W27 Q29 K32 L47 F61W27-L34 HydrophobicContact CB-CB 4.43Å; W27-L34 HydrophobicContact CB-CD1 4.14Å; W27-L34 WeakPolarHBondContact O-CB 3.49Å; W27-L34 PolarHBondContact O-N 2.89Å; Q29-L34 HydrophobicContact CB-CD1 4.19Å; Q29-L34 HydrophobicContact CB-CD2 3.67Å; Q29-L34 HydrophobicContact CB-CG 4.22Å; K32-L34 PolarHBondContact O-N 2.81Å; L34-L47 HydrophobicContact CD1-CD1 4.29Å; L34-L47 HydrophobicContact CD1-CD2 3.64Å; L34-F61 HydrophobicContact CD1-CD1 3.81Å; L34-F61 HydrophobicContact CD1-CE1 3.84Å
35T87.8Confident88.6Confident109 Ų10972.3 Ų72.367%0.66937%0.37SS*.  trans-110.6150.4168.654.80000108.7
36D89.3Confident88.6Confident102 Ų10272.7 Ų72.755%0.54537%0.374SS..  trans-66.9139.8-180-65.6-18.8000111.2F41 Q42D36-F41 HydrophobicContact CB-CB 3.83Å; D36-F41 VanDerWaalsContact OD1-CA 3.32Å; D36-F41 WeakPolarHBondContact OD1-CA 3.38Å; D36-Q42 PolarHBondContact OD1-N 2.9Å
37T87.9Confident88.7Confident70 Ų7072.3 Ų72.343%0.42937%0.371SS..  trans-139.2161.8177.861.90000108.3R39 R40T37-R39 PolarHBondContact O-N 2.87Å; T37-R39 VanDerWaalsContact O-N 3.11Å; T37-R40 PolarHBondContact N-O 2.97Å; T37-R40 CarbonylContact O-C 3.59Å; T37-R40 VanDerWaalsContact O-C 3.31Å; T37-R40 PolarHBondContact O-N 2.86Å; T37-R40 VanDerWaalsContact O-N 3.13Å; T37-R40 VanDerWaalsContact O-O 3.11Å; T37-R40 PolarHBondContact OG1-N 3.38Å; T37-R40 PolarHBondContact OG1-O 3.18Å
38E85.6Confident88.6Confident191 Ų19175.1 Ų75.189%0.89338%0.384SS*.SBendtrans-57.1-28.2176-63-173.3166.100113.3T50E38-T50 WeakPolarHBondContact O-CG2 3.34Å
39R89.6Confident88.8Confident63 Ų6373 Ų7324%0.23838%0.375CS..SBendtrans-85.2-34.6177.8-161.5-17275.6179.71.4113.4T37 F49 T50 D57T37-R39 PolarHBondContact O-N 2.87Å; T37-R39 VanDerWaalsContact O-N 3.11Å; R39-F49 CarbonylContact O-C 3.6Å; R39-F49 WeakPolarHBondContact O-CA 3.5Å; R39-T50 WeakPolarHBondContact CA-OG1 2.91Å; R39-T50 PolarHBondContact O-N 3.01Å; R39-T50 PolarHBondContact O-OG1 2.84Å; R39-D57 IonicContact CZ-OD1 2.66Å; R39-D57 IonicContact CZ-OD2 3.9Å; R39-D57 VanDerWaalsContact CZ-OD2 3.23Å; R39-D57 IonicContact NE-OD2 3.19Å; R39-D57 IonicContact NH1-OD2 2.77Å; R39-D57 IonicContact NH2-OD1 3.6Å; R39-D57 PolarHBondContact NH2-OD1 2.78Å; R39-D57 IonicContact NH2-OD2 3.76Å; R39-D57 PolarHBondContact NH2-OD2 3.28Å
40R90.6Very high88.7Confident33 Ų3374.4 Ų74.413%0.12539%0.387CS..EExtended strand (participates in β ladder)trans-145115.9-170.9-178.217668.6-168.45.6110.4T37 L47 K48 F49 D57T37-R40 PolarHBondContact N-O 2.97Å; T37-R40 CarbonylContact O-C 3.59Å; T37-R40 VanDerWaalsContact O-C 3.31Å; T37-R40 PolarHBondContact O-N 2.86Å; T37-R40 VanDerWaalsContact O-N 3.13Å; T37-R40 VanDerWaalsContact O-O 3.11Å; T37-R40 PolarHBondContact OG1-N 3.38Å; T37-R40 PolarHBondContact OG1-O 3.18Å; R40-L47 HydrophobicContact CG-CD1 3.77Å; R40-L47 HydrophobicContact CG-CG 4.12Å; R40-K48 VanDerWaalsContact CA-O 3.27Å; R40-K48 WeakPolarHBondContact CA-O 3.44Å; R40-F49 HydrophobicContact CB-CD1 4.37Å; R40-F49 HydrophobicContact CG-CD1 4.06Å; R40-F49 HydrophobicContact CG-CE1 3.92Å; R40-F49 HydrophobicContact CG-CZ 4.24Å; R40-D57 IonicContact NH1-OD1 3.42Å; R40-D57 PolarHBondContact NH1-OD1 3.33Å
41F92Very high88.9Confident67 Ų6774.1 Ų74.129%0.29438%0.381SS..EExtended strand (participates in β ladder)trans-144.1151.8-176.758.6-88.8000111.4D36 E43 K48 T50D36-F41 HydrophobicContact CB-CB 3.83Å; D36-F41 VanDerWaalsContact OD1-CA 3.32Å; D36-F41 WeakPolarHBondContact OD1-CA 3.38Å; F41-E43 HydrophobicContact CD2-CB 4.48Å; F41-E43 HydrophobicContact CE2-CB 4.43Å; F41-K48 HydrophobicContact CE2-CB 4.21Å; F41-K48 HydrophobicContact CE2-CD 4.17Å; F41-K48 HydrophobicContact CZ-CB 4.18Å; F41-K48 HydrophobicContact CZ-CD 4.35Å; F41-K48 PolarHBondContact N-O 3.04Å; F41-K48 VanDerWaalsContact N-O 3.14Å; F41-K48 PolarHBondContact O-N 3.38Å; F41-T50 HydrophobicContact CE1-CG2 3.91Å
42Q90.4Very high89.3Confident53 Ų5366.7 Ų66.725%0.24834%0.341CS..EExtended strand (participates in β ladder)trans-87.3130.5175.9-175.6-178.7-59.800109.7Y25 W27 D36 G44 N46Y25-Q42 PolarHBondContact O-NE2 3.26Å; Y25-Q42 PolarHBondContact O-OE1 2.82Å; W27-Q42 VanDerWaalsContact CD1-OE1 3.32Å; D36-Q42 PolarHBondContact OD1-N 2.9Å; Q42-G44 VanDerWaalsContact CG-O 3.31Å; Q42-G44 WeakPolarHBondContact CG-O 3.3Å; Q42-G44 PolarHBondContact NE2-O 2.81Å; Q42-N46 CarbonylContact C-O 3.25Å; Q42-N46 VanDerWaalsContact CA-O 3.28Å; Q42-N46 WeakPolarHBondContact CA-O 3.49Å
43E88.5Confident89.3Confident99 Ų9960.8 Ų60.846%0.46332%0.318SS..EExtended strand (participates in β ladder)trans-130.7101.9174-167-177.6171.300108.3F41 G45 N46 K48F41-E43 HydrophobicContact CD2-CB 4.48Å; F41-E43 HydrophobicContact CE2-CB 4.43Å; E43-G45 PolarHBondContact O-N 2.89Å; E43-N46 PolarHBondContact N-O 3.32Å; E43-N46 WeakPolarHBondContact O-CB 3.28Å; E43-N46 PolarHBondContact O-N 3.46Å; E43-K48 IonicContact OE1-NZ 3.72Å; E43-K48 WeakPolarHBondContact OE2-CD 3.17Å; E43-K48 WeakPolarHBondContact OE2-CE 3.26Å; E43-K48 IonicContact OE2-NZ 3.28Å; E43-K48 PolarHBondContact OE2-NZ 3.34Å
44G85.8Confident89.3Confident52 Ų5257 Ų5754%0.53630%0.303SS..THydrogen-bonded Turntrans60.9-127.3-167.600000111.4Q42 N46Q42-G44 VanDerWaalsContact CG-O 3.31Å; Q42-G44 WeakPolarHBondContact CG-O 3.3Å; Q42-G44 PolarHBondContact NE2-O 2.81Å; G44-N46 VanDerWaalsContact C-N 3.28Å
45G86.3Confident89.1Confident10 Ų1063.2 Ų63.210%0.10333%0.332CS..THydrogen-bonded Turntrans-79.6-3.317400000114.6C15 W27 E43C15-G45 WeakPolarHBondContact CB-O 3.46Å; C15-G45 PolarHBondContact N-O 3.07Å; W27-G45 WeakPolarHBondContact CZ2-O 3.28Å; W27-G45 PolarHBondContact NE1-O 2.96Å; E43-G45 PolarHBondContact O-N 2.89Å
46N90.8Very high89.1Confident44 Ų4462.9 Ų62.924%0.23533%0.325CS..EExtended strand (participates in β ladder)trans-99138.3-172.8-60.2-40.3000112.2M12 M13 R14 Q42 E43 G44M12-N46 HydrophobicContact CG-CB 3.9Å; M12-N46 HydrophobicContact SD-CB 3.51Å; M12-N46 VanDerWaalsContact SD-CB 3.51Å; M13-N46 CarbonylContact O-C 3.53Å; M13-N46 WeakPolarHBondContact O-CA 3.5Å; R14-N46 WeakPolarHBondContact CA-OD1 3.4Å; R14-N46 WeakPolarHBondContact CB-OD1 3.42Å; R14-N46 VanDerWaalsContact CG-OD1 3.23Å; R14-N46 WeakPolarHBondContact CG-OD1 3.37Å; Q42-N46 CarbonylContact C-O 3.25Å; Q42-N46 VanDerWaalsContact CA-O 3.28Å; Q42-N46 WeakPolarHBondContact CA-O 3.49Å; E43-N46 PolarHBondContact N-O 3.32Å; E43-N46 WeakPolarHBondContact O-CB 3.28Å; E43-N46 PolarHBondContact O-N 3.46Å; G44-N46 VanDerWaalsContact C-N 3.28Å
47L91.4Very high89Confident3 Ų358 Ų582%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-100.9108.2165.9-174.166.2000108.8M12 M13 W27 L34 R40 F49 F61M12-L47 CarbonylContact C-O 3.51Å; M12-L47 WeakPolarHBondContact CA-O 3.28Å; M13-L47 HydrophobicContact CB-CB 4.48Å; M13-L47 PolarHBondContact N-O 2.72Å; M13-L47 PolarHBondContact O-N 2.81Å; W27-L47 HydrophobicContact CB-CD1 4.21Å; W27-L47 HydrophobicContact CB-CD2 4.14Å; W27-L47 HydrophobicContact CD2-CB 3.71Å; W27-L47 HydrophobicContact CD2-CD2 4.07Å; W27-L47 HydrophobicContact CD2-CG 4.42Å; W27-L47 HydrophobicContact CE3-CB 4.29Å; W27-L47 HydrophobicContact CE3-CD2 4.09Å; W27-L47 HydrophobicContact CG-CB 3.86Å; W27-L47 HydrophobicContact CG-CD1 4.21Å; W27-L47 HydrophobicContact CG-CD2 4.11Å; W27-L47 HydrophobicContact CG-CG 4.3Å; W27-L47 HydrophobicContact CZ2-CB 4.11Å; L34-L47 HydrophobicContact CD1-CD1 4.29Å; L34-L47 HydrophobicContact CD1-CD2 3.64Å; R40-L47 HydrophobicContact CG-CD1 3.77Å; R40-L47 HydrophobicContact CG-CG 4.12Å; L47-F49 HydrophobicContact CB-CE2 4.47Å; L47-F49 HydrophobicContact CD2-CE2 3.93Å; L47-F49 HydrophobicContact CD2-CZ 3.75Å; L47-F49 HydrophobicContact CG-CE2 3.87Å; L47-F49 HydrophobicContact CG-CZ 4.09Å; L47-F61 HydrophobicContact CD2-CD1 3.65Å; L47-F61 HydrophobicContact CD2-CE1 4.05Å; L47-F61 HydrophobicContact CD2-CG 4.43Å
48K92Very high88.7Confident65 Ų6556.8 Ų56.828%0.28330%0.296SS..EExtended strand (participates in β ladder)trans-95.2143.9-179.5-72.3-175.4176.5177.90111M12 R40 F41 E43M12-K48 HydrophobicContact CB-CG 4.12Å; M12-K48 HydrophobicContact CG-CG 3.73Å; M12-K48 HydrophobicContact SD-CD 4.08Å; M12-K48 WeakPolarHBondContact SD-CE 3.39Å; M12-K48 HydrophobicContact SD-CG 3.57Å; M12-K48 VanDerWaalsContact SD-CG 3.57Å; R40-K48 VanDerWaalsContact CA-O 3.27Å; R40-K48 WeakPolarHBondContact CA-O 3.44Å; F41-K48 HydrophobicContact CE2-CB 4.21Å; F41-K48 HydrophobicContact CE2-CD 4.17Å; F41-K48 HydrophobicContact CZ-CB 4.18Å; F41-K48 HydrophobicContact CZ-CD 4.35Å; F41-K48 PolarHBondContact N-O 3.04Å; F41-K48 VanDerWaalsContact N-O 3.14Å; F41-K48 PolarHBondContact O-N 3.38Å; E43-K48 IonicContact OE1-NZ 3.72Å; E43-K48 WeakPolarHBondContact OE2-CD 3.17Å; E43-K48 WeakPolarHBondContact OE2-CE 3.26Å; E43-K48 IonicContact OE2-NZ 3.28Å; E43-K48 PolarHBondContact OE2-NZ 3.34Å
49F92.6Very high88.7Confident3 Ų349.6 Ų49.61%0.01327%0.273CS..EExtended strand (participates in β ladder)trans-121119.5174.5-59.2-106.7000107.3S10 A11 M13 R39 R40 L47 A51 V52 D57 F61 F81S10-F49 CarbonylContact C-O 3.6Å; S10-F49 WeakPolarHBondContact CA-O 3.32Å; S10-F49 WeakPolarHBondContact CB-O 3.49Å; A11-F49 PolarHBondContact N-O 3.44Å; A11-F49 PolarHBondContact O-N 2.82Å; M13-F49 HydrophobicContact CG-CE2 4.29Å; R39-F49 CarbonylContact O-C 3.6Å; R39-F49 WeakPolarHBondContact O-CA 3.5Å; R40-F49 HydrophobicContact CB-CD1 4.37Å; R40-F49 HydrophobicContact CG-CD1 4.06Å; R40-F49 HydrophobicContact CG-CE1 3.92Å; R40-F49 HydrophobicContact CG-CZ 4.24Å; L47-F49 HydrophobicContact CB-CE2 4.47Å; L47-F49 HydrophobicContact CD2-CE2 3.93Å; L47-F49 HydrophobicContact CD2-CZ 3.75Å; L47-F49 HydrophobicContact CG-CE2 3.87Å; L47-F49 HydrophobicContact CG-CZ 4.09Å; F49-A51 VanDerWaalsContact C-N 3.3Å; F49-V52 HydrophobicContact CB-CG2 4.03Å; F49-V52 HydrophobicContact CG-CG2 4.39Å; F49-D57 HydrophobicContact CD1-CB 4.15Å; F49-D57 VanDerWaalsContact CD1-CG 3.5Å; F49-D57 WeakPolarHBondContact CD1-OD1 3.37Å; F49-D57 HydrophobicContact CE1-CB 3.89Å; F49-D57 VanDerWaalsContact CE1-OD1 3.24Å; F49-D57 WeakPolarHBondContact CE1-OD1 3.47Å; F49-F61 HydrophobicContact CE1-CE1 4.21Å; F49-F61 AromaticContact CE1-CZ 3.92Å; F49-F61 HydrophobicContact CE1-CZ 3.92Å; F49-F61 HydrophobicContact CZ-CD1 4.36Å; F49-F61 AromaticContact CZ-CE1 3.82Å; F49-F61 HydrophobicContact CZ-CE1 3.82Å; F49-F61 HydrophobicContact CZ-CE2 4.23Å; F49-F61 AromaticContact CZ-CZ 3.75Å; F49-F61 HydrophobicContact CZ-CZ 3.75Å; F49-F81 HydrophobicContact CD1-CE2 4.15Å; F49-F81 AromaticContact CD2-CE2 3.78Å; F49-F81 HydrophobicContact CD2-CE2 3.78Å; F49-F81 AromaticContact CD2-CZ 3.81Å; F49-F81 HydrophobicContact CD2-CZ 3.81Å; F49-F81 AromaticContact CE1-CE2 3.92Å; F49-F81 HydrophobicContact CE1-CE2 3.92Å; F49-F81 AromaticContact CE2-CE2 3.57Å; F49-F81 HydrophobicContact CE2-CE2 3.57Å; F49-F81 AromaticContact CE2-CZ 3.76Å; F49-F81 HydrophobicContact CE2-CZ 3.76Å; F49-F81 HydrophobicContact CG-CE2 4.08Å; F49-F81 HydrophobicContact CG-CZ 4.44Å; F49-F81 AromaticContact CZ-CE2 3.65Å; F49-F81 HydrophobicContact CZ-CE2 3.65Å; F49-F81 HydrophobicContact CZ-CZ 4.3Å
50T89.6Confident88.7Confident74 Ų7450.1 Ų50.145%0.45428%0.281SS..SBendtrans-69.2-34.4176.457.60000111.2S10 E38 R39 F41S10-T50 VanDerWaalsContact CA-O 3.26Å; S10-T50 WeakPolarHBondContact CA-O 3.22Å; S10-T50 VanDerWaalsContact CB-O 3.31Å; S10-T50 WeakPolarHBondContact CB-O 2.96Å; S10-T50 PolarHBondContact N-O 3.13Å; E38-T50 WeakPolarHBondContact O-CG2 3.34Å; R39-T50 WeakPolarHBondContact CA-OG1 2.91Å; R39-T50 PolarHBondContact O-N 3.01Å; R39-T50 PolarHBondContact O-OG1 2.84Å; F41-T50 HydrophobicContact CE1-CG2 3.91Å
51A88.9Confident88.7Confident30 Ų3048.5 Ų48.525%0.24828%0.275CS..SBendtrans-149.2125.4169.300000110R9 F49R9-A51 CarbonylContact O-C 3.53Å; R9-A51 WeakPolarHBondContact O-CA 3.19Å; F49-A51 VanDerWaalsContact C-N 3.3Å
52V89.6Confident88.7Confident1 Ų145.6 Ų45.61%0.00626%0.263CS..  trans-74.1125.7177.9175.50000110.1A5 H7 G8 R9 A11 F49 D57 F81 I83A5-V52 HydrophobicContact CB-CB 4.28Å; A5-V52 HydrophobicContact CB-CG1 3.96Å; A5-V52 HydrophobicContact CB-CG2 4.05Å; H7-V52 CarbonylContact C-O 3.52Å; H7-V52 WeakPolarHBondContact CA-O 3.49Å; H7-V52 PolarHBondContact ND1-O 2.84Å; H7-V52 VanDerWaalsContact ND1-O 3.1Å; G8-V52 PolarHBondContact N-O 3.43Å; R9-V52 WeakPolarHBondContact O-CG2 3.26Å; R9-V52 PolarHBondContact O-N 3.04Å; A11-V52 HydrophobicContact CB-CG2 3.39Å; F49-V52 HydrophobicContact CB-CG2 4.03Å; F49-V52 HydrophobicContact CG-CG2 4.39Å; V52-D57 HydrophobicContact CG1-CB 4.24Å; V52-F81 HydrophobicContact CG1-CD2 3.97Å; V52-F81 HydrophobicContact CG1-CE2 4.41Å; V52-F81 HydrophobicContact CG1-CG 4.4Å; V52-F81 HydrophobicContact CG2-CD2 4.31Å; V52-F81 HydrophobicContact CG2-CE2 3.96Å; V52-F81 HydrophobicContact CG2-CZ 4.24Å; V52-I83 HydrophobicContact CG1-CD1 3.64Å; V52-I83 HydrophobicContact CG1-CG1 3.82Å; V52-I83 HydrophobicContact CG1-CG2 4.26Å
53D89.1Confident88.7Confident39 Ų3943 Ų4321%0.20925%0.251CS..  trans-103.6129.8178.6-173.4-79.2000112.2H7 Q55 L56 D57 I83H7-D53 IonicContact CE1-OD2 3Å; D53-Q55 PolarHBondContact O-N 3.44Å; D53-Q55 WeakPolarHBondContact OD1-CA 3.38Å; D53-Q55 PolarHBondContact OD1-N 2.85Å; D53-L56 HydrophobicContact CB-CB 4.04Å; D53-L56 PolarHBondContact OD1-N 3.37Å; D53-D57 PolarHBondContact N-OD2 2.01Å; D53-D57 WeakPolarHBondContact O-CB 3.28Å; D53-D57 PolarHBondContact O-N 3.15Å; D53-I83 WeakPolarHBondContact O-CD1 3.16Å
54R87.4Confident88.8Confident67 Ų6741.3 Ų41.325%0.25324%0.243SC..THydrogen-bonded Turntrans-64.4-24.9-175.172.6179.4178.3-165-5.8113.8H7 I83 W85 E87H7-R54 PolarHBondContact ND1-N 3.46Å; R54-I83 HydrophobicContact CB-CG2 3.9Å; R54-W85 VanDerWaalsContact NH1-CD2 3.28Å; R54-E87 IonicContact CZ-OE2 3.88Å; R54-E87 VanDerWaalsContact CZ-OE2 3.28Å; R54-E87 IonicContact NH1-OE2 2.78Å; R54-E87 PolarHBondContact NH1-OE2 3.27Å; R54-E87 IonicContact NH2-OE1 2.7Å; R54-E87 IonicContact NH2-OE2 2.79Å; R54-E87 PolarHBondContact NH2-OE2 2.84Å
55Q86.9Confident89.1Confident152 Ų15239.7 Ų39.771%0.7122%0.222SC*.THydrogen-bonded Turntrans-97.3-43.2179.8-62.6-170.8-10.600111.3D53D53-Q55 PolarHBondContact O-N 3.44Å; D53-Q55 WeakPolarHBondContact OD1-CA 3.38Å; D53-Q55 PolarHBondContact OD1-N 2.85Å
56L86.4Confident89.1Confident102 Ų10242.3 Ų42.353%0.53423%0.234SC..THydrogen-bonded Turntrans-90-28.1-169.1-61.6171.3000113.5Q29 D53Q29-L56 PolarHBondContact NE2-O 3.19Å; Q29-L56 VanDerWaalsContact NE2-O 3.08Å; D53-L56 HydrophobicContact CB-CB 4.04Å; D53-L56 PolarHBondContact OD1-N 3.37Å
57D87.8Confident88.9Confident0 Ų042 Ų420%023%0.232CC..SBendtrans-103.613.4178.4-58-48.7000112.7R39 R40 F49 V52 D53 F61 F81R39-D57 IonicContact CZ-OD1 2.66Å; R39-D57 IonicContact CZ-OD2 3.9Å; R39-D57 VanDerWaalsContact CZ-OD2 3.23Å; R39-D57 IonicContact NE-OD2 3.19Å; R39-D57 IonicContact NH1-OD2 2.77Å; R39-D57 IonicContact NH2-OD1 3.6Å; R39-D57 PolarHBondContact NH2-OD1 2.78Å; R39-D57 IonicContact NH2-OD2 3.76Å; R39-D57 PolarHBondContact NH2-OD2 3.28Å; R40-D57 IonicContact NH1-OD1 3.42Å; R40-D57 PolarHBondContact NH1-OD1 3.33Å; F49-D57 HydrophobicContact CD1-CB 4.15Å; F49-D57 VanDerWaalsContact CD1-CG 3.5Å; F49-D57 WeakPolarHBondContact CD1-OD1 3.37Å; F49-D57 HydrophobicContact CE1-CB 3.89Å; F49-D57 VanDerWaalsContact CE1-OD1 3.24Å; F49-D57 WeakPolarHBondContact CE1-OD1 3.47Å; V52-D57 HydrophobicContact CG1-CB 4.24Å; D53-D57 PolarHBondContact N-OD2 2.01Å; D53-D57 WeakPolarHBondContact O-CB 3.28Å; D53-D57 PolarHBondContact O-N 3.15Å; D57-F61 WeakPolarHBondContact O-CE2 3.42Å; D57-F81 HydrophobicContact CB-CD2 4.47Å
58A82Confident88.5Confident44 Ų4447.4 Ų47.436%0.36426%0.257SS..  trans-70.5151167.800000111.1Q29Q29-A58 PolarHBondContact NE2-O 3.04Å
59G85.3Confident88Confident40 Ų4047.9 Ų47.941%0.41227%0.273SS..SBendtrans101.8-168.7176.500000114.2S80G59-S80 WeakPolarHBondContact O-CA 3.33Å; G59-S80 WeakPolarHBondContact O-CB 3.45Å
60N89.6Confident87.3Confident74 Ų7451.8 Ų51.840%0.39630%0.297SS..EExtended strand (participates in β ladder)trans-101.4130.6-168.8-67.9-34.3000111.4Q29 G30 K78 A79Q29-N60 CarbonylContact C-O 3.25Å; Q29-N60 WeakPolarHBondContact CA-O 3.11Å; G30-N60 PolarHBondContact N-O 2.93Å; N60-K78 HydrophobicContact CB-CB 4.13Å; N60-K78 HydrophobicContact CB-CD 4.15Å; N60-K78 HydrophobicContact CB-CG 4.33Å; N60-A79 CarbonylContact C-O 3.26Å; N60-A79 WeakPolarHBondContact CA-O 3.43Å
61F91.1Very high86.8Confident0 Ų051 Ų510%030%0.304CS..EExtended strand (participates in β ladder)trans-106.1140.8174.1-62.8-91.5000110.3M13 W27 Y28 Q29 L34 L47 F49 D57 K78 A79M13-F61 HydrophobicContact CE-CB 4.45Å; M13-F61 HydrophobicContact CE-CD2 3.52Å; M13-F61 HydrophobicContact CE-CE2 4.09Å; M13-F61 HydrophobicContact CE-CG 4.19Å; M13-F61 HydrophobicContact SD-CB 3.64Å; M13-F61 HydrophobicContact SD-CD2 3.81Å; M13-F61 HydrophobicContact SD-CG 3.85Å; W27-F61 HydrophobicContact CE3-CB 4.27Å; W27-F61 HydrophobicContact CZ3-CB 4.2Å; Y28-F61 CarbonylContact O-C 3.56Å; Y28-F61 WeakPolarHBondContact O-CA 3.34Å; Q29-F61 HydrophobicContact CB-CD1 3.93Å; Q29-F61 HydrophobicContact CB-CE1 3.76Å; Q29-F61 HydrophobicContact CB-CZ 4.47Å; Q29-F61 HydrophobicContact CG-CD1 4.11Å; Q29-F61 HydrophobicContact CG-CE1 3.67Å; Q29-F61 HydrophobicContact CG-CE2 4.46Å; Q29-F61 HydrophobicContact CG-CZ 3.87Å; L34-F61 HydrophobicContact CD1-CD1 3.81Å; L34-F61 HydrophobicContact CD1-CE1 3.84Å; L47-F61 HydrophobicContact CD2-CD1 3.65Å; L47-F61 HydrophobicContact CD2-CE1 4.05Å; L47-F61 HydrophobicContact CD2-CG 4.43Å; F49-F61 HydrophobicContact CE1-CE1 4.21Å; F49-F61 AromaticContact CE1-CZ 3.92Å; F49-F61 HydrophobicContact CE1-CZ 3.92Å; F49-F61 HydrophobicContact CZ-CD1 4.36Å; F49-F61 AromaticContact CZ-CE1 3.82Å; F49-F61 HydrophobicContact CZ-CE1 3.82Å; F49-F61 HydrophobicContact CZ-CE2 4.23Å; F49-F61 AromaticContact CZ-CZ 3.75Å; F49-F61 HydrophobicContact CZ-CZ 3.75Å; D57-F61 WeakPolarHBondContact O-CE2 3.42Å; F61-K78 CarbonylContact O-C 3.52Å; F61-K78 WeakPolarHBondContact O-CA 3.32Å; F61-A79 PolarHBondContact N-O 3.4Å; F61-A79 PolarHBondContact O-N 3.07Å
62S90.9Very high86.5Confident5 Ų555.9 Ų55.94%0.03532%0.323CS..EExtended strand (participates in β ladder)trans-139.2140.9173.352.30000110.1Y28Y28-S62 PolarHBondContact N-O 2.8Å; Y28-S62 PolarHBondContact O-N 2.82Å
63C91.3Very high86.2Confident0 Ų058.6 Ų58.60%035%0.345CS..EExtended strand (participates in β ladder)trans-101.5129.1178.2165.40000109.4C15 W27 L75 S76C15-C63 HydrophobicContact CB-CB 3.46Å; C15-C63 VanDerWaalsContact CB-CB 3.46Å; C15-C63 WeakPolarHBondContact CB-SG 3.2Å; C15-C63 WeakPolarHBondContact SG-CB 3.29Å; C15-C63 CovalentContact SG-SG 2.04Å; C15-C63 PolarHBondContact SG-SG 2.78Å; W27-C63 HydrophobicContact CD2-CB 3.83Å; W27-C63 HydrophobicContact CE3-CB 3.83Å; W27-C63 HydrophobicContact CH2-CB 3.85Å; W27-C63 HydrophobicContact CZ2-CB 3.86Å; W27-C63 HydrophobicContact CZ3-CB 3.83Å; C63-L75 CarbonylContact O-C 3.58Å; C63-L75 WeakPolarHBondContact O-CA 3.24Å; C63-S76 PolarHBondContact N-OG 2.81Å; C63-S76 WeakPolarHBondContact O-CB 3.38Å; C63-S76 PolarHBondContact O-N 2.89Å
64Q90.8Very high86.1Confident62 Ų6264.1 Ų64.129%0.2937%0.37SS..EExtended strand (participates in β ladder)trans-101.3134.3168.7-167.6178.633.500109.1Y25 S26 Y28 A73 Q74 L75Y25-Q64 CarbonylContact C-O 3.52Å; Y25-Q64 WeakPolarHBondContact CA-O 3Å; S26-Q64 PolarHBondContact N-O 3.46Å; S26-Q64 PolarHBondContact O-N 3.18Å; Y28-Q64 HydrophobicContact CD2-CB 4.23Å; Y28-Q64 HydrophobicContact CE2-CB 3.64Å; Y28-Q64 PolarHBondContact OH-OE1 2.8Å; Q64-A73 HydrophobicContact CG-CB 4.45Å; Q64-Q74 CarbonylContact C-O 3.54Å; Q64-Q74 WeakPolarHBondContact CA-O 3.27Å; Q64-L75 HydrophobicContact CB-CD1 3.7Å; Q64-L75 HydrophobicContact CG-CD1 4.19Å
65V90.4Very high86.2Confident18 Ų1865.6 Ų65.611%0.10938%0.382CS..EExtended strand (participates in β ladder)trans-116.1124.8174.3-170.60000108.5V17 I23 T24 Y25 A73 Q74V17-V65 HydrophobicContact CG1-CB 4.29Å; V17-V65 HydrophobicContact CG1-CG1 4.1Å; V17-V65 HydrophobicContact CG1-CG2 3.8Å; I23-V65 HydrophobicContact CB-CG1 3.85Å; I23-V65 HydrophobicContact CD1-CG1 3.99Å; I23-V65 HydrophobicContact CG1-CG1 4.43Å; I23-V65 HydrophobicContact CG2-CG1 4.16Å; T24-V65 WeakPolarHBondContact O-CA 3.48Å; Y25-V65 HydrophobicContact CD1-CG1 4.45Å; Y25-V65 HydrophobicContact CD1-CG2 3.6Å; Y25-V65 HydrophobicContact CE1-CG1 4.36Å; Y25-V65 HydrophobicContact CE1-CG2 3.71Å; V65-A73 CarbonylContact O-C 3.55Å; V65-A73 VanDerWaalsContact O-CA 3.25Å; V65-A73 WeakPolarHBondContact O-CA 3.45Å; V65-Q74 PolarHBondContact N-O 3.05Å; V65-Q74 PolarHBondContact O-N 2.78Å
66L88Confident86.3Confident65 Ų6560.4 Ų60.434%0.3436%0.363SS..EExtended strand (participates in β ladder)trans-107.3124.6173.4175.668.6000108.7I23 T24 A73I23-L66 CarbonylContact C-O 3.55Å; I23-L66 VanDerWaalsContact CA-O 3.24Å; I23-L66 WeakPolarHBondContact CA-O 3.43Å; T24-L66 PolarHBondContact N-O 2.83Å; T24-L66 PolarHBondContact O-N 2.84Å; L66-A73 HydrophobicContact CD1-CB 4.02Å
67N85.3Confident86.3Confident39 Ų3960.9 Ų60.921%0.20937%0.37CS..EExtended strand (participates in β ladder)trans-93.9119.2170.7-173.7-46.1000109.6I23 A69 T70 G71 M72I23-N67 HydrophobicContact CG2-CB 4.13Å; N67-A69 VanDerWaalsContact C-N 3.34Å; N67-A69 PolarHBondContact O-N 2.93Å; N67-A69 WeakPolarHBondContact OD1-CB 3.27Å; N67-A69 PolarHBondContact OD1-N 3.33Å; N67-T70 PolarHBondContact OD1-N 3.39Å; N67-G71 VanDerWaalsContact O-CA 3.29Å; N67-G71 WeakPolarHBondContact O-CA 3.37Å; N67-G71 PolarHBondContact O-N 2.76Å; N67-M72 PolarHBondContact N-O 3.35Å
68H82.8Confident86.3Confident116 Ų11666.5 Ų66.554%0.53740%0.395SS..THydrogen-bonded Turntrans-75.6-19.4-176.6-67.6-72.6000113.8N22 T24N22-H68 PolarHBondContact O-CD2 2.93Å; N22-H68 PolarHBondContact O-N 2.62Å; T24-H68 PolarHBondContact OG1-NE2 3.46Å
69A83.1Confident86.7Confident75 Ų7565.6 Ų65.662%0.6239%0.387SS*.THydrogen-bonded Turntrans-78.1-35.1176.800000112.2N22 N67N22-A69 HydrophobicContact CB-CB 4.5Å; N67-A69 VanDerWaalsContact C-N 3.34Å; N67-A69 PolarHBondContact O-N 2.93Å; N67-A69 WeakPolarHBondContact OD1-CB 3.27Å; N67-A69 PolarHBondContact OD1-N 3.33Å
70T78.3Confident86.8Confident84 Ų8465.1 Ų65.152%0.51538%0.377SS..THydrogen-bonded Turntrans-106.5-14.1-177.959.40000113.9N67 M72N67-T70 PolarHBondContact OD1-N 3.39Å; T70-M72 PolarHBondContact O-N 3.08Å
71G78.3Confident86.8Confident57 Ų5762.3 Ų62.359%0.58836%0.362SS*.  trans71.63.7-174.100000114.4N67N67-G71 VanDerWaalsContact O-CA 3.29Å; N67-G71 WeakPolarHBondContact O-CA 3.37Å; N67-G71 PolarHBondContact O-N 2.76Å
72M82.3Confident86.7Confident134 Ų13465 Ų6566%0.6638%0.376SS*.  trans-79.5134.1-178.8-64.5-165.5-53.400111.6N67 T70N67-M72 PolarHBondContact N-O 3.35Å; T70-M72 PolarHBondContact O-N 3.08Å
73A83.6Confident86.6Confident57 Ų5765.6 Ų65.647%0.47138%0.379SS..EExtended strand (participates in β ladder)trans-113.5130.9171.300000110.9Q64 V65 L66Q64-A73 HydrophobicContact CG-CB 4.45Å; V65-A73 CarbonylContact O-C 3.55Å; V65-A73 VanDerWaalsContact O-CA 3.25Å; V65-A73 WeakPolarHBondContact O-CA 3.45Å; L66-A73 HydrophobicContact CD1-CB 4.02Å
74Q87.5Confident86.6Confident155 Ų15567.6 Ų67.672%0.72439%0.387SS*.EExtended strand (participates in β ladder)trans-125.8142177.5-166.2169.5-2.900110.9Q64 V65Q64-Q74 CarbonylContact C-O 3.54Å; Q64-Q74 WeakPolarHBondContact CA-O 3.27Å; V65-Q74 PolarHBondContact N-O 3.05Å; V65-Q74 PolarHBondContact O-N 2.78Å
75L88.1Confident86.6Confident99 Ų9967 Ų6752%0.51838%0.383SS..EExtended strand (participates in β ladder)trans-106.1137.8-179.8-162.376.3000110.6C63 Q64C63-L75 CarbonylContact O-C 3.58Å; C63-L75 WeakPolarHBondContact O-CA 3.24Å; Q64-L75 HydrophobicContact CB-CD1 3.7Å; Q64-L75 HydrophobicContact CG-CD1 4.19Å
76S88.9Confident86.6Confident43 Ų4367.7 Ų67.730%0.30139%0.385SS..PPolyproline II helixtrans-70.5165.2175.780.60000111.8C63C63-S76 PolarHBondContact N-OG 2.81Å; C63-S76 WeakPolarHBondContact O-CB 3.38Å; C63-S76 PolarHBondContact O-N 2.89Å
77T87.6Confident86.6Confident111 Ų11169.2 Ų69.268%0.68139%0.391SS*.PPolyproline II helixtrans-63.3155163.660.60000110.5
78K88.3Confident86.8Confident119 Ų11969.8 Ų69.852%0.51740%0.398SS..PPolyproline II helixtrans-72.3130.7179.1-69.4178.2-179.1176.90110.7M1 N60 F61M1-K78 PolarHBondContact N-O 3.48Å; N60-K78 HydrophobicContact CB-CB 4.13Å; N60-K78 HydrophobicContact CB-CD 4.15Å; N60-K78 HydrophobicContact CB-CG 4.33Å; F61-K78 CarbonylContact O-C 3.52Å; F61-K78 WeakPolarHBondContact O-CA 3.32Å
79A88.4Confident87.1Confident25 Ų2564.8 Ų64.821%0.20738%0.377CS..EExtended strand (participates in β ladder)trans-115.4148.1173.600000111.3M1 M13 N60 F61M1-A79 CarbonylContact O-C 3.53Å; M1-A79 WeakPolarHBondContact O-CA 3.4Å; M13-A79 HydrophobicContact SD-CB 3.9Å; N60-A79 CarbonylContact C-O 3.26Å; N60-A79 WeakPolarHBondContact CA-O 3.43Å; F61-A79 PolarHBondContact N-O 3.4Å; F61-A79 PolarHBondContact O-N 3.07Å
80S89.3Confident87.5Confident30 Ų3061.8 Ų61.821%0.2135%0.354CS..EExtended strand (participates in β ladder)trans-144.4160.9177.6610000111.8M1 S2 Q3 G59M1-S80 PolarHBondContact O-N 2.81Å; S2-S80 CarbonylContact C-O 3.5Å; S2-S80 VanDerWaalsContact CA-O 3.25Å; S2-S80 WeakPolarHBondContact CA-O 3.36Å; Q3-S80 PolarHBondContact N-O 3.25Å; G59-S80 WeakPolarHBondContact O-CA 3.33Å; G59-S80 WeakPolarHBondContact O-CB 3.45Å
81F89.6Confident88.2Confident15 Ų1558.3 Ų58.37%0.06633%0.333CS..EExtended strand (participates in β ladder)trans-92.5134.6169.9-67.7-54.3000111.5Q3 A5 A11 M13 F49 V52 D57 I83Q3-F81 HydrophobicContact CB-CD1 4.2Å; Q3-F81 HydrophobicContact CB-CE1 4.42Å; Q3-F81 CarbonylContact O-C 3.55Å; Q3-F81 VanDerWaalsContact O-CA 3.26Å; Q3-F81 WeakPolarHBondContact O-CA 3.26Å; A5-F81 HydrophobicContact CB-CB 4.1Å; A5-F81 HydrophobicContact CB-CD1 3.64Å; A5-F81 HydrophobicContact CB-CE1 4.21Å; A5-F81 HydrophobicContact CB-CG 3.91Å; A11-F81 HydrophobicContact CB-CE1 3.76Å; A11-F81 HydrophobicContact CB-CE2 4.42Å; A11-F81 HydrophobicContact CB-CZ 3.57Å; M13-F81 HydrophobicContact CE-CD1 3.86Å; M13-F81 HydrophobicContact CE-CD2 3.74Å; M13-F81 HydrophobicContact CE-CE1 3.68Å; M13-F81 HydrophobicContact CE-CE2 3.59Å; M13-F81 HydrophobicContact CE-CG 3.88Å; M13-F81 HydrophobicContact CE-CZ 3.54Å; M13-F81 HydrophobicContact CG-CE1 4.3Å; M13-F81 HydrophobicContact CG-CZ 3.97Å; F49-F81 HydrophobicContact CD1-CE2 4.15Å; F49-F81 AromaticContact CD2-CE2 3.78Å; F49-F81 HydrophobicContact CD2-CE2 3.78Å; F49-F81 AromaticContact CD2-CZ 3.81Å; F49-F81 HydrophobicContact CD2-CZ 3.81Å; F49-F81 AromaticContact CE1-CE2 3.92Å; F49-F81 HydrophobicContact CE1-CE2 3.92Å; F49-F81 AromaticContact CE2-CE2 3.57Å; F49-F81 HydrophobicContact CE2-CE2 3.57Å; F49-F81 AromaticContact CE2-CZ 3.76Å; F49-F81 HydrophobicContact CE2-CZ 3.76Å; F49-F81 HydrophobicContact CG-CE2 4.08Å; F49-F81 HydrophobicContact CG-CZ 4.44Å; F49-F81 AromaticContact CZ-CE2 3.65Å; F49-F81 HydrophobicContact CZ-CE2 3.65Å; F49-F81 HydrophobicContact CZ-CZ 4.3Å; V52-F81 HydrophobicContact CG1-CD2 3.97Å; V52-F81 HydrophobicContact CG1-CE2 4.41Å; V52-F81 HydrophobicContact CG1-CG 4.4Å; V52-F81 HydrophobicContact CG2-CD2 4.31Å; V52-F81 HydrophobicContact CG2-CE2 3.96Å; V52-F81 HydrophobicContact CG2-CZ 4.24Å; D57-F81 HydrophobicContact CB-CD2 4.47Å; F81-I83 HydrophobicContact CB-CD1 4.08Å; F81-I83 HydrophobicContact CB-CG1 3.51Å
82N88.1Confident88.9Confident57 Ų5757.5 Ų57.531%0.30532%0.318SS..EExtended strand (participates in β ladder)trans-90.192.5159.117828.4000107.8Q3 D4 A5 K84Q3-N82 PolarHBondContact O-N 2.9Å; D4-N82 WeakPolarHBondContact OD1-CB 3.31Å; D4-N82 PolarHBondContact OD1-ND2 2.83Å; A5-N82 PolarHBondContact N-O 3.35Å; A5-N82 VanDerWaalsContact N-O 3.09Å; N82-K84 PolarHBondContact O-N 3.5Å
83I89.6Confident89.3Confident17 Ų1752.5 Ų52.59%0.08729%0.294CS..EExtended strand (participates in β ladder)trans-84.1113.4-169.5-53.5172.8000109.5A5 H7 V52 D53 R54 F81A5-I83 CarbonylContact O-C 3.57Å; A5-I83 WeakPolarHBondContact O-CA 3.31Å; H7-I83 HydrophobicContact CB-CG2 3.98Å; V52-I83 HydrophobicContact CG1-CD1 3.64Å; V52-I83 HydrophobicContact CG1-CG1 3.82Å; V52-I83 HydrophobicContact CG1-CG2 4.26Å; D53-I83 WeakPolarHBondContact O-CD1 3.16Å; R54-I83 HydrophobicContact CB-CG2 3.9Å; F81-I83 HydrophobicContact CB-CD1 4.08Å; F81-I83 HydrophobicContact CB-CG1 3.51Å
84K90.6Very high89.6Confident42 Ų4253.7 Ų53.718%0.18329%0.289CS..EExtended strand (participates in β ladder)trans-91.6136.4174.7-50.4176.7-179.61690109.8D4 A5 L6 H7 N82 H117 A165 A166D4-K84 WeakPolarHBondContact OD2-CE 3.1Å; D4-K84 IonicContact OD2-NZ 3.97Å; D4-K84 PolarHBondContact OD2-NZ 3.33Å; A5-K84 PolarHBondContact O-N 3.08Å; L6-K84 HydrophobicContact CD2-CB 3.84Å; L6-K84 HydrophobicContact CD2-CD 4.46Å; H7-K84 PolarHBondContact N-O 3.13Å; N82-K84 PolarHBondContact O-N 3.5Å; K84-H117 CarbonylContact C-O 3.53Å; K84-H117 WeakPolarHBondContact CA-O 3.45Å; K84-H117 WeakPolarHBondContact CB-O 3.31Å; K84-A165 HydrophobicContact CD-CB 3.85Å; K84-A166 HydrophobicContact CB-CB 4.04Å
85W90.4Very high89.6Confident50 Ų5050.9 Ų50.919%0.18928%0.275CS..EExtended strand (participates in β ladder)trans-148.7157.6-177.762.7-91.6000111.5H7 R54 E87 D115 G116 H117 N164 A166H7-W85 HydrophobicContact CB-CB 3.85Å; R54-W85 VanDerWaalsContact NH1-CD2 3.28Å; W85-E87 HydrophobicContact CE3-CB 4.02Å; W85-E87 HydrophobicContact CZ3-CB 3.8Å; W85-D115 HydrophobicContact CH2-CB 4.13Å; W85-D115 HydrophobicContact CZ3-CB 4.18Å; W85-D115 WeakPolarHBondContact CZ3-O 3.12Å; W85-G116 CarbonylContact O-C 3.6Å; W85-G116 WeakPolarHBondContact O-CA 3.37Å; W85-H117 HydrophobicContact CZ2-CB 4.47Å; W85-H117 PolarHBondContact N-O 2.74Å; W85-H117 PolarHBondContact O-N 3.31Å; W85-N164 PolarHBondContact O-ND2 3.27Å; W85-A166 VanDerWaalsContact C-CB 3.48Å
86L90.6Very high89.3Confident32 Ų3247.4 Ų47.417%0.16826%0.259CS..EExtended strand (participates in β ladder)trans-146.4127176-174.264.2000107.6I114 P120 A166 G167 V169L86-I114 HydrophobicContact CD1-CG2 4.03Å; L86-P120 HydrophobicContact CD1-CB 3.66Å; L86-P120 HydrophobicContact CD1-CG 3.87Å; L86-A166 HydrophobicContact CB-CB 4.11Å; L86-G167 VanDerWaalsContact CD2-C 3.46Å; L86-G167 VanDerWaalsContact CD2-O 3.29Å; L86-G167 WeakPolarHBondContact CD2-O 3.28Å; L86-V169 HydrophobicContact CD1-CG2 4.35Å; L86-V169 HydrophobicContact CD2-CB 4.34Å; L86-V169 HydrophobicContact CD2-CG1 4.03Å; L86-V169 HydrophobicContact CD2-CG2 3.81Å; L86-V169 HydrophobicContact CG-CG1 4.24Å; L86-V169 HydrophobicContact CG-CG2 3.7Å
87E88.8Confident88.9Confident97 Ų9749.9 Ų49.945%0.45328%0.282SS..EExtended strand (participates in β ladder)trans-124.2127.3-174.5-173167.2-167.300109.2R54 W85 I114 D115R54-E87 IonicContact CZ-OE2 3.88Å; R54-E87 VanDerWaalsContact CZ-OE2 3.28Å; R54-E87 IonicContact NH1-OE2 2.78Å; R54-E87 PolarHBondContact NH1-OE2 3.27Å; R54-E87 IonicContact NH2-OE1 2.7Å; R54-E87 IonicContact NH2-OE2 2.79Å; R54-E87 PolarHBondContact NH2-OE2 2.84Å; W85-E87 HydrophobicContact CE3-CB 4.02Å; W85-E87 HydrophobicContact CZ3-CB 3.8Å; E87-I114 WeakPolarHBondContact O-CG2 3.39Å; E87-D115 PolarHBondContact N-O 3.05Å; E87-D115 PolarHBondContact O-N 3.26Å; E87-D115 VanDerWaalsContact O-N 3.12Å
88S87.9Confident88.6Confident50 Ų5047 Ų4735%0.3527%0.266SS..  trans-71.9145179.1-178.80000110.7C170 S172S88-C170 PolarHBondContact OG-O 2.95Å; S88-S172 PolarHBondContact OG-N 2.93Å; S88-S172 VanDerWaalsContact OG-N 3.13Å
89G89.6Confident88.1Confident11 Ų1146.6 Ų46.611%0.11327%0.266CS..  trans-144165.5173.900000110.3S171 S172G89-S171 WeakPolarHBondContact O-CA 3.41Å; G89-S171 WeakPolarHBondContact O-CB 3.32Å; G89-S172 VanDerWaalsContact C-OG 3.31Å; G89-S172 PolarHBondContact O-N 2.03Å
90G91.3Very high87.1Confident13 Ų1349 Ų4913%0.13429%0.293CS..  trans-77.9175.9-178.400000114.4H113 S172 S173G90-H113 WeakPolarHBondContact O-CB 3.12Å; G90-H113 PolarHBondContact O-CD2 2.8Å; G90-H113 VanDerWaalsContact O-CD2 3.27Å; G90-H113 PolarHBondContact O-N 2.98Å; G90-S172 PolarHBondContact N-OG 3.24Å; G90-S173 WeakPolarHBondContact CA-O 3.01Å; G90-S173 WeakPolarHBondContact CA-OG 3.5Å
91V93.9Very high86.4Confident10 Ų1052.6 Ų52.66%0.06131%0.306CS..EExtended strand (participates in β ladder)trans-98.4135.31631780000109.1L110 R111 W124 C160 S173 F175V91-L110 HydrophobicContact CG1-CB 4.11Å; V91-L110 HydrophobicContact CG1-CD1 4.33Å; V91-R111 WeakPolarHBondContact CA-O 3.34Å; V91-W124 HydrophobicContact CB-CZ3 4.36Å; V91-W124 HydrophobicContact CG1-CH2 3.81Å; V91-W124 HydrophobicContact CG1-CZ3 3.53Å; V91-W124 HydrophobicContact CG2-CH2 4.24Å; V91-W124 HydrophobicContact CG2-CZ3 3.82Å; V91-C160 HydrophobicContact CG2-CB 4.21Å; V91-S173 PolarHBondContact N-O 3.1Å; V91-F175 HydrophobicContact CB-CB 3.95Å; V91-F175 HydrophobicContact CG1-CB 3.55Å; V91-F175 HydrophobicContact CG1-CG 4.47Å
92S92.1Very high86Confident40 Ų4052.6 Ų52.628%0.2831%0.307SS..EExtended strand (participates in β ladder)trans-131.4154173.176.10000112.2L110 R111 H113S92-L110 CarbonylContact O-C 3.59Å; S92-L110 WeakPolarHBondContact O-CA 3.49Å; S92-R111 PolarHBondContact N-O 2.87Å; S92-R111 PolarHBondContact O-N 2.94Å; S92-H113 PolarHBondContact OG-NE2 2.8Å
93L92Very high85.2Confident30 Ų3055.4 Ų55.416%0.15732%0.318CS..EExtended strand (participates in β ladder)trans-62136.7164.2-169.662.6000109.6E95 P96 E99 I102 V108 L110 F175L93-E95 WeakPolarHBondContact CD1-O 3.22Å; L93-P96 VanDerWaalsContact CD2-O 3.27Å; L93-P96 WeakPolarHBondContact CD2-O 3.38Å; L93-P96 WeakPolarHBondContact CG-O 3.19Å; L93-E99 HydrophobicContact CD2-CG 4.19Å; L93-I102 HydrophobicContact CD1-CD1 4.4Å; L93-I102 HydrophobicContact CD2-CD1 4.17Å; L93-V108 HydrophobicContact CD1-CG1 3.82Å; L93-L110 HydrophobicContact CB-CD2 4.49Å; L93-L110 HydrophobicContact CD1-CD2 3.82Å; L93-F175 HydrophobicContact CB-CE1 4.36Å; L93-F175 HydrophobicContact CB-CE2 3.8Å; L93-F175 HydrophobicContact CB-CZ 3.64Å; L93-F175 HydrophobicContact CD1-CE1 4.48Å; L93-F175 HydrophobicContact CD1-CZ 4.39Å; L93-F175 HydrophobicContact CD2-CZ 4.37Å; L93-F175 HydrophobicContact CG-CZ 4.36Å
94K89.4Confident84.3Confident82 Ų8259 Ų5936%0.35734%0.338SS..EExtended strand (participates in β ladder)trans-112-42.5174.7-174.5-176.6164.8-1580110.7M109 R111 T144K94-M109 WeakPolarHBondContact CA-O 3.44Å; K94-M109 HydrophobicContact CB-CB 4.39Å; K94-M109 HydrophobicContact CB-CG 4.44Å; K94-M109 WeakPolarHBondContact CB-O 3.48Å; K94-M109 HydrophobicContact CD-CG 4.32Å; K94-M109 HydrophobicContact CD-SD 3.72Å; K94-M109 PolarHBondContact N-O 2.92Å; K94-M109 PolarHBondContact NZ-SD 2.76Å; K94-R111 HydrophobicContact CB-CB 4.26Å; K94-R111 HydrophobicContact CD-CB 4.49Å; K94-T144 HydrophobicContact CD-CG2 3.99Å
95E86.3Confident83.5Confident95 Ų9560.5 Ų60.544%0.44435%0.354SS..EExtended strand (participates in β ladder)trans-143.9135.4176.2-69.3170.3-161.600109.3L93 V108 M109L93-E95 WeakPolarHBondContact CD1-O 3.22Å; E95-V108 CarbonylContact O-C 3.52Å; E95-V108 WeakPolarHBondContact O-CA 3.36Å; E95-M109 HydrophobicContact CB-CB 4.04Å; E95-M109 PolarHBondContact N-O 2.76Å; E95-M109 PolarHBondContact O-N 2.92Å
96P83.7Confident83.1Confident27 Ų2759.1 Ų59.118%0.17535%0.352CS..SBendcis-67.8-179.2-6.630-35.1000113.1L93 S98 E101 I102L93-P96 VanDerWaalsContact CD2-O 3.27Å; L93-P96 WeakPolarHBondContact CD2-O 3.38Å; L93-P96 WeakPolarHBondContact CG-O 3.19Å; P96-S98 VanDerWaalsContact C-N 3.27Å; P96-S98 PolarHBondContact O-N 2.63Å; P96-E101 HydrophobicContact CB-CB 3.94Å; P96-E101 HydrophobicContact CG-CB 4.02Å; P96-I102 HydrophobicContact CG-CG1 3.55Å
97A80.5Confident82.8Confident95 Ų9561.4 Ų61.479%0.78537%0.368SS*.SBendtrans-68.6-25.8-171.800000113.3
98S80.9Confident82.8Confident49 Ų4956.8 Ų56.834%0.34335%0.347SS..SBendtrans-141.7154.9178.474.10000111.6P96 G100 E101P96-S98 VanDerWaalsContact C-N 3.27Å; P96-S98 PolarHBondContact O-N 2.63Å; S98-G100 PolarHBondContact O-N 2.86Å; S98-E101 PolarHBondContact O-N 2.82Å; S98-E101 PolarHBondContact OG-OE1 2.95Å
99E76.3Confident83Confident111 Ų11155.8 Ų55.852%0.51934%0.337SS..G310 helixtrans-61.2-28.2177-72.2174-149.500113L93 E101 I102 F175L93-E99 HydrophobicContact CD2-CG 4.19Å; E99-E101 PolarHBondContact O-N 2.79Å; E99-I102 WeakPolarHBondContact O-CG1 3.44Å; E99-I102 PolarHBondContact O-N 3.19Å; E99-F175 HydrophobicContact CG-CE2 4.4Å; E99-F175 HydrophobicContact CG-CZ 3.73Å; E99-F175 VanDerWaalsContact OE1-CE2 3.28Å; E99-F175 WeakPolarHBondContact OE1-CE2 3.28Å; E99-F175 WeakPolarHBondContact OE1-CZ 3.33Å
100G69.2Low83.1Confident75 Ų7555.2 Ų55.277%0.77333%0.331SS*.G310 helixtrans-71.8-13.3-179.600000114.7S98S98-G100 PolarHBondContact O-N 2.86Å
101E74.9Confident83.2Confident106 Ų10658.9 Ų58.950%0.49534%0.341SS..G310 helixtrans-93.5-0.8178.3-70.7161.7-135.400112.8P96 S98 E99 E103P96-E101 HydrophobicContact CB-CB 3.94Å; P96-E101 HydrophobicContact CG-CB 4.02Å; S98-E101 PolarHBondContact O-N 2.82Å; S98-E101 PolarHBondContact OG-OE1 2.95Å; E99-E101 PolarHBondContact O-N 2.79Å; E101-E103 PolarHBondContact O-N 3.11Å; E101-E103 VanDerWaalsContact O-N 3.13Å
102I79.8Confident83.1Confident15 Ų1558.4 Ų58.48%0.07734%0.338CS..  trans-79.399.7-178.5-56.1176.8000109L93 P96 E99 V108 A150 L177 I179L93-I102 HydrophobicContact CD1-CD1 4.4Å; L93-I102 HydrophobicContact CD2-CD1 4.17Å; P96-I102 HydrophobicContact CG-CG1 3.55Å; E99-I102 WeakPolarHBondContact O-CG1 3.44Å; E99-I102 PolarHBondContact O-N 3.19Å; I102-V108 HydrophobicContact CD1-CG2 4.34Å; I102-V108 HydrophobicContact CG1-CG2 4.38Å; I102-V108 HydrophobicContact CG2-CG2 3.71Å; I102-A150 HydrophobicContact CG2-CB 4.49Å; I102-L177 HydrophobicContact CD1-CD1 3.53Å; I102-L177 HydrophobicContact CG2-CD1 4.48Å; I102-I179 HydrophobicContact CG2-CG1 3.83Å
103E71.1Confident83.1Confident116 Ų11660.5 Ų60.554%0.54234%0.344SS..  trans-96.6161175.1-60.4-165.914900111.7E101 S105 S106 K182E101-E103 PolarHBondContact O-N 3.11Å; E101-E103 VanDerWaalsContact O-N 3.13Å; E103-S105 PolarHBondContact O-N 2.75Å; E103-S106 PolarHBondContact N-OG 2.84Å; E103-S106 VanDerWaalsContact O-CB 3.26Å; E103-S106 WeakPolarHBondContact O-CB 3.34Å; E103-S106 PolarHBondContact O-N 2.78Å; E103-S106 PolarHBondContact O-OG 2.89Å; E103-K182 IonicContact OE1-NZ 3.48Å
104N71.2Confident83.2Confident92 Ų9259.1 Ų59.149%0.49234%0.336SS..THydrogen-bonded Turntrans-56.9135.9172.5-169.325.3000109.7S106 A150N104-S106 VanDerWaalsContact C-N 3.25Å; N104-S106 PolarHBondContact O-N 3.48Å; N104-A150 PolarHBondContact OD1-O 2.93Å; N104-A150 VanDerWaalsContact OD1-O 3.08Å
105S74.6Confident83.1Confident74 Ų7458.3 Ų58.352%0.51734%0.336SS..THydrogen-bonded Turntrans68.36.1-173.7-480000116.7E103 A150E103-S105 PolarHBondContact O-N 2.75Å; S105-A150 PolarHBondContact N-O 3.47Å
106S80.6Confident83.3Confident22 Ų2254.1 Ų54.115%0.15432%0.318CS..  trans-75.8147.6172.767.20000112.3E103 N104 A150E103-S106 PolarHBondContact N-OG 2.84Å; E103-S106 VanDerWaalsContact O-CB 3.26Å; E103-S106 WeakPolarHBondContact O-CB 3.34Å; E103-S106 PolarHBondContact O-N 2.78Å; E103-S106 PolarHBondContact O-OG 2.89Å; N104-S106 VanDerWaalsContact C-N 3.25Å; N104-S106 PolarHBondContact O-N 3.48Å; S106-A150 WeakPolarHBondContact O-CB 3.47Å; S106-A150 PolarHBondContact O-N 2.89Å
107P84.9Confident83.4Confident79 Ų7957 Ų5751%0.51333%0.329SS..  trans-75.9134.8173.330-33000110.9I147P107-I147 CarbonylContact C-O 3.58Å; P107-I147 VanDerWaalsContact CA-O 3.28Å; P107-I147 WeakPolarHBondContact CA-O 3.38Å
108V89Confident83.8Confident1 Ų155.1 Ų55.11%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-120.5126.5178.2175.90000109.9L93 E95 I102 L110 T146 I147 A150 L177L93-V108 HydrophobicContact CD1-CG1 3.82Å; E95-V108 CarbonylContact O-C 3.52Å; E95-V108 WeakPolarHBondContact O-CA 3.36Å; I102-V108 HydrophobicContact CD1-CG2 4.34Å; I102-V108 HydrophobicContact CG1-CG2 4.38Å; I102-V108 HydrophobicContact CG2-CG2 3.71Å; V108-L110 HydrophobicContact CG1-CD2 4.3Å; V108-T146 CarbonylContact O-C 3.54Å; V108-T146 WeakPolarHBondContact O-CA 3.25Å; V108-I147 HydrophobicContact CB-CB 4.27Å; V108-I147 HydrophobicContact CB-CD1 4.36Å; V108-I147 HydrophobicContact CG1-CD1 4.45Å; V108-I147 PolarHBondContact N-O 3.18Å; V108-I147 PolarHBondContact O-N 2.95Å; V108-A150 HydrophobicContact CG2-CB 3.97Å; V108-L177 HydrophobicContact CG1-CD1 4.13Å; V108-L177 HydrophobicContact CG1-CD2 4.21Å
109M91.3Very high84.1Confident28 Ų2862.5 Ų62.514%0.13833%0.329CS..EExtended strand (participates in β ladder)trans-119.4122.6177.4-164.9178.8-52.300111K94 E95 T144 L145 T146K94-M109 WeakPolarHBondContact CA-O 3.44Å; K94-M109 HydrophobicContact CB-CB 4.39Å; K94-M109 HydrophobicContact CB-CG 4.44Å; K94-M109 WeakPolarHBondContact CB-O 3.48Å; K94-M109 HydrophobicContact CD-CG 4.32Å; K94-M109 HydrophobicContact CD-SD 3.72Å; K94-M109 PolarHBondContact N-O 2.92Å; K94-M109 PolarHBondContact NZ-SD 2.76Å; E95-M109 HydrophobicContact CB-CB 4.04Å; E95-M109 PolarHBondContact N-O 2.76Å; E95-M109 PolarHBondContact O-N 2.92Å; M109-T144 HydrophobicContact CG-CG2 4.36Å; M109-T144 HydrophobicContact SD-CG2 4.1Å; M109-L145 CarbonylContact C-O 3.52Å; M109-L145 WeakPolarHBondContact CA-O 3.14Å; M109-T146 HydrophobicContact CE-CG2 4.3Å
110L92.7Very high84.7Confident0 Ų057.7 Ų57.70%031%0.307CS..EExtended strand (participates in β ladder)trans-103.4147.4173.7-56.1-176.8000110.4V91 S92 L93 V108 W124 T144 L145 Y158 F175V91-L110 HydrophobicContact CG1-CB 4.11Å; V91-L110 HydrophobicContact CG1-CD1 4.33Å; S92-L110 CarbonylContact O-C 3.59Å; S92-L110 WeakPolarHBondContact O-CA 3.49Å; L93-L110 HydrophobicContact CB-CD2 4.49Å; L93-L110 HydrophobicContact CD1-CD2 3.82Å; V108-L110 HydrophobicContact CG1-CD2 4.3Å; L110-W124 HydrophobicContact CB-CH2 3.75Å; L110-W124 HydrophobicContact CB-CZ3 3.94Å; L110-W124 HydrophobicContact CD1-CZ3 4.44Å; L110-T144 CarbonylContact O-C 3.53Å; L110-T144 WeakPolarHBondContact O-CA 3.44Å; L110-T144 WeakPolarHBondContact O-CB 3.36Å; L110-L145 HydrophobicContact CB-CB 4.47Å; L110-L145 HydrophobicContact CD1-CD2 4.42Å; L110-L145 PolarHBondContact N-O 2.98Å; L110-L145 PolarHBondContact O-N 3.44Å; L110-Y158 VanDerWaalsContact CD1-CB 3.47Å; L110-Y158 HydrophobicContact CD1-CD1 3.86Å; L110-Y158 HydrophobicContact CD1-CD2 3.96Å; L110-Y158 HydrophobicContact CD1-CG 3.48Å; L110-Y158 VanDerWaalsContact CD1-CG 3.48Å; L110-F175 HydrophobicContact CD1-CD1 4.15Å; L110-F175 HydrophobicContact CD2-CD1 3.51Å; L110-F175 HydrophobicContact CD2-CE1 3.71Å; L110-F175 HydrophobicContact CD2-CG 4.15Å; L110-F175 HydrophobicContact CD2-CZ 4.5Å
111R93.1Very high85.6Confident89 Ų8958.1 Ų58.134%0.33630%0.295SS..EExtended strand (participates in β ladder)trans-122.1134.6178.2-175.5172.1-178.9154.83111.5V91 S92 K94 T144V91-R111 WeakPolarHBondContact CA-O 3.34Å; S92-R111 PolarHBondContact N-O 2.87Å; S92-R111 PolarHBondContact O-N 2.94Å; K94-R111 HydrophobicContact CB-CB 4.26Å; K94-R111 HydrophobicContact CD-CB 4.49Å; R111-T144 HydrophobicContact CB-CG2 4.17Å; R111-T144 HydrophobicContact CG-CG2 4.2Å
112C92Very high86.2Confident0 Ų053.4 Ų53.40%027%0.274CS..EExtended strand (participates in β ladder)trans-95.8125.2175-179.80000110W124 R143 C160C112-W124 HydrophobicContact CB-CH2 3.92Å; C112-W124 HydrophobicContact CB-CZ2 3.61Å; C112-R143 HydrophobicContact CB-CB 4.19Å; C112-R143 PolarHBondContact N-O 2.77Å; C112-R143 WeakPolarHBondContact O-CB 3.31Å; C112-C160 HydrophobicContact CB-CB 3.65Å; C112-C160 WeakPolarHBondContact CB-SG 3.41Å; C112-C160 WeakPolarHBondContact SG-CB 3.48Å; C112-C160 CovalentContact SG-SG 2.03Å; C112-C160 PolarHBondContact SG-SG 3.36Å
113H92.9Very high86.7Confident85 Ų8556.7 Ų56.739%0.39429%0.289SS..  trans-97.214-176.7-62.4-64.6000114.2G90 S92 D115G90-H113 WeakPolarHBondContact O-CB 3.12Å; G90-H113 PolarHBondContact O-CD2 2.8Å; G90-H113 VanDerWaalsContact O-CD2 3.27Å; G90-H113 PolarHBondContact O-N 2.98Å; S92-H113 PolarHBondContact OG-NE2 2.8Å; H113-D115 PolarHBondContact O-N 3.47Å
114I92.4Very high87.7Confident0 Ų051.4 Ų51.40%026%0.264CS..  trans-69.5128.1173.8-59.1172.8000109.3L86 E87 R143 C160 A162 V169L86-I114 HydrophobicContact CD1-CG2 4.03Å; E87-I114 WeakPolarHBondContact O-CG2 3.39Å; I114-R143 WeakPolarHBondContact O-CD 3.4Å; I114-R143 PolarHBondContact O-NH1 2.84Å; I114-C160 WeakPolarHBondContact CD1-O 3.45Å; I114-A162 HydrophobicContact CB-CB 4Å; I114-A162 HydrophobicContact CD1-CB 4.06Å; I114-A162 HydrophobicContact CG2-CB 3.52Å; I114-V169 HydrophobicContact CD1-CG2 4.39Å; I114-V169 HydrophobicContact CG2-CG2 3.6Å
115D88.9Confident88.7Confident66 Ų6648.6 Ų48.635%0.35325%0.247SC..EExtended strand (participates in β ladder)trans-128.9157.4-177.2-155.228.6000112.5W85 E87 H113 R143W85-D115 HydrophobicContact CH2-CB 4.13Å; W85-D115 HydrophobicContact CZ3-CB 4.18Å; W85-D115 WeakPolarHBondContact CZ3-O 3.12Å; E87-D115 PolarHBondContact N-O 3.05Å; E87-D115 PolarHBondContact O-N 3.26Å; E87-D115 VanDerWaalsContact O-N 3.12Å; H113-D115 PolarHBondContact O-N 3.47Å; D115-R143 IonicContact OD1-CZ 3.42Å; D115-R143 IonicContact OD1-NH1 3.72Å; D115-R143 PolarHBondContact OD1-NH1 3.31Å; D115-R143 IonicContact OD1-NH2 3.06Å
116G88.5Confident89.5Confident6 Ų646.8 Ų46.86%0.06223%0.23CC..EExtended strand (participates in β ladder)trans-177.8160.8-176.200000114.7W85 P118 R119W85-G116 CarbonylContact O-C 3.6Å; W85-G116 WeakPolarHBondContact O-CA 3.37Å; G116-P118 CarbonylContact C-O 3.6Å; G116-P118 CarbonylContact O-C 3.6Å; G116-R119 WeakPolarHBondContact O-CA 3.48Å; G116-R119 PolarHBondContact O-N 2.82Å
117H87.4Confident89.9Confident88 Ų8850.3 Ų50.341%0.40725%0.247SC..EExtended strand (participates in β ladder)trans-124.8124172.8-176.2-93.7000110.9K84 W85K84-H117 CarbonylContact C-O 3.53Å; K84-H117 WeakPolarHBondContact CA-O 3.45Å; K84-H117 WeakPolarHBondContact CB-O 3.31Å; W85-H117 HydrophobicContact CZ2-CB 4.47Å; W85-H117 PolarHBondContact N-O 2.74Å; W85-H117 PolarHBondContact O-N 3.31Å
118P87.9Confident89.9Confident55 Ų5549.5 Ų49.536%0.35725%0.253SS..SBendcis-60.8161-7.6-21.334.3000112.6G116 N164G116-P118 CarbonylContact C-O 3.6Å; G116-P118 CarbonylContact O-C 3.6Å; P118-N164 VanDerWaalsContact O-CB 3.26Å; P118-N164 WeakPolarHBondContact O-CB 3.5Å; P118-N164 PolarHBondContact O-ND2 3.43Å
119R86.6Confident89.8Confident204 Ų20454.4 Ų54.477%0.7728%0.283SS*.PPolyproline II helixtrans-50.9128.7-176.1-85.8-169.9-168-177.24.8111.6G116G116-R119 WeakPolarHBondContact O-CA 3.48Å; G116-R119 PolarHBondContact O-N 2.82Å
120P89.1Confident89.6Confident10 Ų1057.9 Ų57.97%0.06530%0.297CS..PPolyproline II helixtrans-79.9152-179.332.5-35.1000112.7L86 A162 K163 N164L86-P120 HydrophobicContact CD1-CB 3.66Å; L86-P120 HydrophobicContact CD1-CG 3.87Å; P120-A162 HydrophobicContact CB-CB 3.81Å; P120-A162 HydrophobicContact CG-CB 4.24Å; P120-K163 CarbonylContact C-O 3.58Å; P120-K163 VanDerWaalsContact CA-O 3.25Å; P120-K163 WeakPolarHBondContact CA-O 3.33Å; P120-N164 HydrophobicContact CB-CB 3.99Å
121T89.1Confident89.3Confident85 Ų8559.3 Ų59.352%0.52131%0.305SS..EExtended strand (participates in β ladder)trans-93.9131.9171500000109.9A162 K163T121-A162 CarbonylContact O-C 3.57Å; T121-A162 WeakPolarHBondContact O-CA 3.29Å; T121-K163 PolarHBondContact N-O 2.93Å; T121-K163 PolarHBondContact O-N 3.06Å; T121-K163 PolarHBondContact OG1-O 2.9Å
122C87.5Confident88.3Confident7 Ų761.7 Ų61.75%0.04732%0.321CS..EExtended strand (participates in β ladder)trans-101145.5-173.9-640000111.9N140 C161C122-N140 PolarHBondContact N-OD1 3.15Å; C122-N140 PolarHBondContact O-OD1 3.34Å; C122-C161 CarbonylContact C-O 3.59Å; C122-C161 WeakPolarHBondContact CA-O 3Å
123Q90.7Very high86.9Confident83 Ų8369.6 Ų69.639%0.38836%0.358SS..EExtended strand (participates in β ladder)trans-128.5135.1172.1-63.3-173.9-0.500108.7F125 K130 C160 C161Q123-F125 HydrophobicContact CB-CE2 4.11Å; Q123-K130 VanDerWaalsContact CD-NZ 3.28Å; Q123-C160 CarbonylContact O-C 3.57Å; Q123-C160 VanDerWaalsContact O-CA 3.29Å; Q123-C160 WeakPolarHBondContact O-CA 3.4Å; Q123-C161 PolarHBondContact N-O 2.72Å; Q123-C161 PolarHBondContact O-N 2.99Å
124W92Very high85.3Confident6 Ų671.1 Ų71.12%0.02338%0.379CS..EExtended strand (participates in β ladder)trans-103.9148.1-176.5-71.891.9000112.1V91 L110 C112 L131 T138 L145 S159 C160V91-W124 HydrophobicContact CB-CZ3 4.36Å; V91-W124 HydrophobicContact CG1-CH2 3.81Å; V91-W124 HydrophobicContact CG1-CZ3 3.53Å; V91-W124 HydrophobicContact CG2-CH2 4.24Å; V91-W124 HydrophobicContact CG2-CZ3 3.82Å; L110-W124 HydrophobicContact CB-CH2 3.75Å; L110-W124 HydrophobicContact CB-CZ3 3.94Å; L110-W124 HydrophobicContact CD1-CZ3 4.44Å; C112-W124 HydrophobicContact CB-CH2 3.92Å; C112-W124 HydrophobicContact CB-CZ2 3.61Å; W124-L131 HydrophobicContact CB-CD1 4.01Å; W124-L131 PolarHBondContact O-N 3.2Å; W124-T138 HydrophobicContact CG-CG2 4.43Å; W124-L145 HydrophobicContact CB-CD1 4.34Å; W124-L145 HydrophobicContact CB-CD2 4.37Å; W124-L145 HydrophobicContact CD2-CB 3.65Å; W124-L145 HydrophobicContact CD2-CD2 4.1Å; W124-L145 HydrophobicContact CD2-CG 4.37Å; W124-L145 HydrophobicContact CE3-CB 4.05Å; W124-L145 HydrophobicContact CE3-CD2 3.94Å; W124-L145 HydrophobicContact CG-CB 4.02Å; W124-L145 HydrophobicContact CG-CD1 4.26Å; W124-L145 HydrophobicContact CG-CD2 4.31Å; W124-L145 HydrophobicContact CG-CG 4.45Å; W124-L145 HydrophobicContact CH2-CB 4.23Å; W124-L145 HydrophobicContact CZ2-CB 3.87Å; W124-L145 HydrophobicContact CZ3-CB 4.31Å; W124-L145 HydrophobicContact CZ3-CD2 4.49Å; W124-S159 WeakPolarHBondContact CA-O 3.43Å; W124-C160 HydrophobicContact CD2-CB 4.04Å; W124-C160 HydrophobicContact CE3-CB 4Å; W124-C160 HydrophobicContact CH2-CB 4.46Å; W124-C160 HydrophobicContact CZ2-CB 4.48Å; W124-C160 HydrophobicContact CZ3-CB 4.22Å
125F91.4Very high83.7Confident32 Ų3275 Ų7514%0.1441%0.406CS..EExtended strand (participates in β ladder)trans-133.6144.2179.7-59.5-104.7000109.7Q123 V129 K130 Y158 S159 C161Q123-F125 HydrophobicContact CB-CE2 4.11Å; F125-V129 CarbonylContact C-O 3.56Å; F125-V129 WeakPolarHBondContact CA-O 3.18Å; F125-K130 VanDerWaalsContact CD1-CA 3.5Å; F125-K130 HydrophobicContact CD1-CB 3.86Å; F125-K130 HydrophobicContact CE1-CB 3.65Å; F125-K130 HydrophobicContact CE1-CG 4.16Å; F125-K130 HydrophobicContact CZ-CB 4.36Å; F125-K130 HydrophobicContact CZ-CG 4.39Å; F125-Y158 WeakPolarHBondContact O-CA 3.33Å; F125-S159 WeakPolarHBondContact CB-OG 3.42Å; F125-S159 PolarHBondContact N-O 2.99Å; F125-S159 PolarHBondContact O-N 2.93Å; F125-C161 HydrophobicContact CE2-CB 4.01Å
126K91.2Very high82.9Confident36 Ų3672.8 Ų72.816%0.15739%0.393CS..EExtended strand (participates in β ladder)trans-120125.3168.9-179.1-169.5177.3178.60108.1G128 V129 L131 G153 D154 S155 V157 Y158K126-G128 PolarHBondContact O-N 3.01Å; K126-G128 VanDerWaalsContact O-N 3.1Å; K126-V129 PolarHBondContact N-O 2.85Å; K126-V129 WeakPolarHBondContact O-CB 3.36Å; K126-V129 PolarHBondContact O-N 2.79Å; K126-L131 HydrophobicContact CB-CD1 4.46Å; K126-L131 HydrophobicContact CB-CD2 3.78Å; K126-L131 HydrophobicContact CB-CG 4.3Å; K126-G153 PolarHBondContact NZ-O 3.13Å; K126-D154 VanDerWaalsContact NZ-C 3.3Å; K126-D154 PolarHBondContact NZ-O 2.9Å; K126-S155 WeakPolarHBondContact CE-O 3.48Å; K126-S155 PolarHBondContact NZ-O 3.24Å; K126-V157 CarbonylContact C-O 3.59Å; K126-V157 WeakPolarHBondContact CA-O 3.34Å; K126-Y158 HydrophobicContact CB-CD1 4.26Å; K126-Y158 HydrophobicContact CB-CE1 4Å; K126-Y158 HydrophobicContact CD-CE1 4.36Å; K126-Y158 HydrophobicContact CD-CE2 4.37Å; K126-Y158 HydrophobicContact CG-CE1 4.13Å; K126-Y158 HydrophobicContact CG-CE2 4.16Å
127D88.3Confident82.4Confident96 Ų9678.1 Ų78.151%0.51342%0.417SS..THydrogen-bonded Turntrans5136.2-178.4-56-46.7000112.6V129 V157D127-V129 VanDerWaalsContact C-N 3.28Å; D127-V129 PolarHBondContact O-N 2.86Å; D127-V157 PolarHBondContact N-O 3.48Å; D127-V157 PolarHBondContact OD1-N 2.88Å
128G85.1Confident82.2Confident62 Ų6276.3 Ų76.364%0.63941%0.412SS*.THydrogen-bonded Turntrans81.2-5.9-177.600000115.4K126K126-G128 PolarHBondContact O-N 3.01Å; K126-G128 VanDerWaalsContact O-N 3.1Å
129V88.5Confident82Confident105 Ų10576.5 Ų76.564%0.63641%0.41SS*.EExtended strand (participates in β ladder)trans-94130.7178.5-175.50000110.5F125 K126 D127 L131F125-V129 CarbonylContact C-O 3.56Å; F125-V129 WeakPolarHBondContact CA-O 3.18Å; K126-V129 PolarHBondContact N-O 2.85Å; K126-V129 WeakPolarHBondContact O-CB 3.36Å; K126-V129 PolarHBondContact O-N 2.79Å; D127-V129 VanDerWaalsContact C-N 3.28Å; D127-V129 PolarHBondContact O-N 2.86Å; V129-L131 PolarHBondContact O-N 3.49Å
130K86.4Confident81.7Confident100 Ų10070.3 Ų70.344%0.43539%0.392SS..EExtended strand (participates in β ladder)trans-65.4128.4179.2-175.2174174.1170.50111Q123 F125Q123-K130 VanDerWaalsContact CD-NZ 3.28Å; F125-K130 VanDerWaalsContact CD1-CA 3.5Å; F125-K130 HydrophobicContact CD1-CB 3.86Å; F125-K130 HydrophobicContact CE1-CB 3.65Å; F125-K130 HydrophobicContact CE1-CG 4.16Å; F125-K130 HydrophobicContact CZ-CB 4.36Å; F125-K130 HydrophobicContact CZ-CG 4.39Å
131L85.9Confident81.2Confident31 Ų3177.9 Ų77.916%0.16242%0.424CS..PPolyproline II helixtrans-76.2135.9176.7-63.8177.2000110.9W124 K126 V129 L145 Y158W124-L131 HydrophobicContact CB-CD1 4.01Å; W124-L131 PolarHBondContact O-N 3.2Å; K126-L131 HydrophobicContact CB-CD1 4.46Å; K126-L131 HydrophobicContact CB-CD2 3.78Å; K126-L131 HydrophobicContact CB-CG 4.3Å; V129-L131 PolarHBondContact O-N 3.49Å; L131-L145 HydrophobicContact CD1-CD1 3.92Å; L131-L145 HydrophobicContact CD1-CD2 3.65Å; L131-L145 HydrophobicContact CD1-CG 4.47Å; L131-Y158 HydrophobicContact CD1-CD1 4.23Å; L131-Y158 HydrophobicContact CD1-CE1 3.98Å
132M73.1Confident80.9Confident138 Ų13877.9 Ų77.968%0.6842%0.421SS*.PPolyproline II helixtrans-97.4146.5175.8-64.7-72.6-160.400110.4S134 S135M132-S134 PolarHBondContact O-N 2.75Å; M132-S135 PolarHBondContact O-N 3.06Å
133E61.7Low81Confident166 Ų16680 Ų8078%0.77643%0.427SS*.THydrogen-bonded Turntrans-62.1-5.4-172.6-71.4179.8168.600115.8
134S59.3Low81Confident118 Ų11876.2 Ų76.283%0.82541%0.41SS*.THydrogen-bonded Turntrans-85.5-19-177.454.10000115.5M132M132-S134 PolarHBondContact O-N 2.75Å
135S59.1Low81Confident80 Ų8076 Ų7656%0.55941%0.409SS*.THydrogen-bonded Turntrans-114.4-13.1-176.248.50000114M132M132-S135 PolarHBondContact O-N 3.06Å
136H72.1Confident80.9Confident21 Ų2175.6 Ų75.610%0.09741%0.41CS..SBendtrans-145.2140.7-174.9-57.276.2000109.9L145H136-L145 HydrophobicContact CB-CD1 3.51Å
137Q78.8Confident80.7Confident118 Ų11874.3 Ų74.355%0.55140%0.404SS*.EExtended strand (participates in β ladder)trans-90.5112.2176.2-69.7-175.2-14.400109.6T146 Q148Q137-T146 PolarHBondContact N-O 2.82Å; Q137-T146 VanDerWaalsContact N-O 3.13Å; Q137-T146 PolarHBondContact O-N 2.83Å; Q137-Q148 VanDerWaalsContact CD-NE2 3.31Å
138T82.4Confident80.5Confident49 Ų4975.7 Ų75.730%0.30141%0.408SS..EExtended strand (participates in β ladder)trans-99.6133.617463.20000110.5W124 T144 L145W124-T138 HydrophobicContact CG-CG2 4.43Å; T138-T144 WeakPolarHBondContact CA-O 3.34Å; T138-L145 HydrophobicContact CG2-CD1 3.58Å
139N83.3Confident80.4Confident60 Ų6076 Ų7632%0.32140%0.4SS..EExtended strand (participates in β ladder)trans-116.4103.8174.3-179.4-18.3000109.1K141 D142 R143 T144N139-K141 VanDerWaalsContact C-N 3.3Å; N139-K141 PolarHBondContact O-N 2.88Å; N139-K141 WeakPolarHBondContact OD1-CA 3.44Å; N139-K141 WeakPolarHBondContact OD1-CB 3.17Å; N139-K141 PolarHBondContact OD1-N 3.16Å; N139-D142 PolarHBondContact ND2-OD2 3.41Å; N139-D142 PolarHBondContact O-N 3.2Å; N139-D142 PolarHBondContact OD1-N 2.81Å; N139-D142 VanDerWaalsContact OD1-N 3.09Å; N139-R143 VanDerWaalsContact O-CA 3.25Å; N139-R143 WeakPolarHBondContact O-CA 3.37Å; N139-R143 PolarHBondContact O-N 2.76Å; N139-T144 PolarHBondContact N-O 2.94Å; N139-T144 PolarHBondContact O-N 2.93Å; N139-T144 VanDerWaalsContact O-N 3.08Å
140N80.1Confident80Confident73 Ų7371 Ų7139%0.3937%0.37SS..THydrogen-bonded Turntrans-69.8-22.2179.5-88.9-47000114C122C122-N140 PolarHBondContact N-OD1 3.15Å; C122-N140 PolarHBondContact O-OD1 3.34Å
141K79.9Confident79.8Confident169 Ų16968.3 Ų68.374%0.73536%0.364SS*.THydrogen-bonded Turntrans-72.6-42.7176.5-68.9-178.1179.2176.20111.2N139N139-K141 VanDerWaalsContact C-N 3.3Å; N139-K141 PolarHBondContact O-N 2.88Å; N139-K141 WeakPolarHBondContact OD1-CA 3.44Å; N139-K141 WeakPolarHBondContact OD1-CB 3.17Å; N139-K141 PolarHBondContact OD1-N 3.16Å
142D83Confident79.4Confident85 Ų8569.7 Ų69.746%0.45537%0.374SS..THydrogen-bonded Turntrans-95.5-6.7-178.3-61.6-43000113.4N139 T144N139-D142 PolarHBondContact ND2-OD2 3.41Å; N139-D142 PolarHBondContact O-N 3.2Å; N139-D142 PolarHBondContact OD1-N 2.81Å; N139-D142 VanDerWaalsContact OD1-N 3.09Å; D142-T144 HydrophobicContact CB-CG2 4.31Å
143R89.1Confident79.7Confident51 Ų5165.8 Ų65.819%0.19237%0.37CS..THydrogen-bonded Turntrans58.844.2-177.6-58.1173.6-78.3-160.4-10.5112.4C112 I114 D115 N139C112-R143 HydrophobicContact CB-CB 4.19Å; C112-R143 PolarHBondContact N-O 2.77Å; C112-R143 WeakPolarHBondContact O-CB 3.31Å; I114-R143 WeakPolarHBondContact O-CD 3.4Å; I114-R143 PolarHBondContact O-NH1 2.84Å; D115-R143 IonicContact OD1-CZ 3.42Å; D115-R143 IonicContact OD1-NH1 3.72Å; D115-R143 PolarHBondContact OD1-NH1 3.31Å; D115-R143 IonicContact OD1-NH2 3.06Å; N139-R143 VanDerWaalsContact O-CA 3.25Å; N139-R143 WeakPolarHBondContact O-CA 3.37Å; N139-R143 PolarHBondContact O-N 2.76Å
144T90.7Very high80.8Confident4 Ų459.3 Ų59.33%0.02534%0.341CS..EExtended strand (participates in β ladder)trans-119154.3-177.658.80000113.5K94 M109 L110 R111 T138 N139 D142K94-T144 HydrophobicContact CD-CG2 3.99Å; M109-T144 HydrophobicContact CG-CG2 4.36Å; M109-T144 HydrophobicContact SD-CG2 4.1Å; L110-T144 CarbonylContact O-C 3.53Å; L110-T144 WeakPolarHBondContact O-CA 3.44Å; L110-T144 WeakPolarHBondContact O-CB 3.36Å; R111-T144 HydrophobicContact CB-CG2 4.17Å; R111-T144 HydrophobicContact CG-CG2 4.2Å; T138-T144 WeakPolarHBondContact CA-O 3.34Å; N139-T144 PolarHBondContact N-O 2.94Å; N139-T144 PolarHBondContact O-N 2.93Å; N139-T144 VanDerWaalsContact O-N 3.08Å; D142-T144 HydrophobicContact CB-CG2 4.31Å
145L90.9Very high82Confident1 Ų155.4 Ų55.41%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-120126.6169.8174.375.3000108.1M109 L110 W124 L131 H136 T138 Y158M109-L145 CarbonylContact C-O 3.52Å; M109-L145 WeakPolarHBondContact CA-O 3.14Å; L110-L145 HydrophobicContact CB-CB 4.47Å; L110-L145 HydrophobicContact CD1-CD2 4.42Å; L110-L145 PolarHBondContact N-O 2.98Å; L110-L145 PolarHBondContact O-N 3.44Å; W124-L145 HydrophobicContact CB-CD1 4.34Å; W124-L145 HydrophobicContact CB-CD2 4.37Å; W124-L145 HydrophobicContact CD2-CB 3.65Å; W124-L145 HydrophobicContact CD2-CD2 4.1Å; W124-L145 HydrophobicContact CD2-CG 4.37Å; W124-L145 HydrophobicContact CE3-CB 4.05Å; W124-L145 HydrophobicContact CE3-CD2 3.94Å; W124-L145 HydrophobicContact CG-CB 4.02Å; W124-L145 HydrophobicContact CG-CD1 4.26Å; W124-L145 HydrophobicContact CG-CD2 4.31Å; W124-L145 HydrophobicContact CG-CG 4.45Å; W124-L145 HydrophobicContact CH2-CB 4.23Å; W124-L145 HydrophobicContact CZ2-CB 3.87Å; W124-L145 HydrophobicContact CZ3-CB 4.31Å; W124-L145 HydrophobicContact CZ3-CD2 4.49Å; L131-L145 HydrophobicContact CD1-CD1 3.92Å; L131-L145 HydrophobicContact CD1-CD2 3.65Å; L131-L145 HydrophobicContact CD1-CG 4.47Å; H136-L145 HydrophobicContact CB-CD1 3.51Å; T138-L145 HydrophobicContact CG2-CD1 3.58Å; L145-Y158 HydrophobicContact CD2-CD1 3.5Å; L145-Y158 HydrophobicContact CD2-CE1 3.65Å
146T89.4Confident83.4Confident25 Ų2552.2 Ų52.215%0.15329%0.293CS..EExtended strand (participates in β ladder)trans-116.9126.8179.9-49.90000111V108 M109 Q137V108-T146 CarbonylContact O-C 3.54Å; V108-T146 WeakPolarHBondContact O-CA 3.25Å; M109-T146 HydrophobicContact CE-CG2 4.3Å; Q137-T146 PolarHBondContact N-O 2.82Å; Q137-T146 VanDerWaalsContact N-O 3.13Å; Q137-T146 PolarHBondContact O-N 2.83Å
147I88.6Confident84.3Confident8 Ų853.5 Ų53.54%0.04130%0.302CS..EExtended strand (participates in β ladder)trans-101119168.2-58.6162.6000106.4P107 V108 D154 Y158 L177P107-I147 CarbonylContact C-O 3.58Å; P107-I147 VanDerWaalsContact CA-O 3.28Å; P107-I147 WeakPolarHBondContact CA-O 3.38Å; V108-I147 HydrophobicContact CB-CB 4.27Å; V108-I147 HydrophobicContact CB-CD1 4.36Å; V108-I147 HydrophobicContact CG1-CD1 4.45Å; V108-I147 PolarHBondContact N-O 3.18Å; V108-I147 PolarHBondContact O-N 2.95Å; I147-D154 HydrophobicContact CD1-CB 4.45Å; I147-Y158 HydrophobicContact CD1-CE1 4.45Å; I147-L177 HydrophobicContact CD1-CD2 3.67Å
148Q82.2Confident85Confident125 Ų12547.9 Ų47.958%0.58428%0.276SS*.SBendtrans-78.2-35.4-172.5-69.6-171.9-6.100113.8Q137Q137-Q148 VanDerWaalsContact CD-NE2 3.31Å
149S83.7Confident85.5Confident69 Ų6946.4 Ų46.448%0.48327%0.267SS..SBendtrans-140.193-177.8171.30000108.2S151S149-S151 PolarHBondContact O-N 2.76Å
150A80.8Confident86Confident0 Ų043.5 Ų43.50%025%0.252CS..  trans-61.4131.6-178.700000111.7I102 N104 S105 S106 V108 I179I102-A150 HydrophobicContact CG2-CB 4.49Å; N104-A150 PolarHBondContact OD1-O 2.93Å; N104-A150 VanDerWaalsContact OD1-O 3.08Å; S105-A150 PolarHBondContact N-O 3.47Å; S106-A150 WeakPolarHBondContact O-CB 3.47Å; S106-A150 PolarHBondContact O-N 2.89Å; V108-A150 HydrophobicContact CG2-CB 3.97Å; A150-I179 HydrophobicContact CB-CD1 3.72Å; A150-I179 HydrophobicContact CB-CG1 4.45Å
151S81.8Confident86.6Confident44 Ų4440.4 Ų40.431%0.30824%0.236SC..  trans-125.9161.1173.871.10000110.2S149 G153 D154 I179S149-S151 PolarHBondContact O-N 2.76Å; S151-G153 PolarHBondContact O-N 3.08Å; S151-G153 PolarHBondContact OG-N 3.42Å; S151-D154 WeakPolarHBondContact CB-OD2 3.03Å; S151-D154 PolarHBondContact N-OD2 2.89Å; S151-D154 WeakPolarHBondContact O-CB 3.43Å; S151-D154 PolarHBondContact O-N 2.81Å; S151-D154 PolarHBondContact OG-OD2 2.94Å; S151-I179 WeakPolarHBondContact O-CD1 3.48Å
152P78.3Confident87.1Confident59 Ų5932.3 Ų32.338%0.38320%0.201SC..G310 helixtrans-52.2-30.3174.7-28.135.8000113.5D154 S155 D181P152-D154 PolarHBondContact O-N 3.49Å; P152-S155 VanDerWaalsContact O-CB 3.31Å; P152-S155 WeakPolarHBondContact O-CB 3.27Å; P152-S155 PolarHBondContact O-N 3.09Å; P152-S155 PolarHBondContact O-OG 2.91Å; P152-D181 HydrophobicContact CG-CB 4.4Å
153G78.9Confident87.5Confident57 Ų5734.6 Ų34.659%0.58821%0.207SC*.G310 helixtrans-68.8-15.117600000115K126 S151 S155K126-G153 PolarHBondContact NZ-O 3.13Å; S151-G153 PolarHBondContact O-N 3.08Å; S151-G153 PolarHBondContact OG-N 3.42Å; G153-S155 VanDerWaalsContact C-N 3.33Å
154D84.6Confident87.6Confident29 Ų2933.1 Ų33.116%0.15520%0.202CC..G310 helixtrans-83.9-10.2174.2-60.2-57.1000112.4K126 I147 S151 P152 G156 Y158 I179K126-D154 VanDerWaalsContact NZ-C 3.3Å; K126-D154 PolarHBondContact NZ-O 2.9Å; I147-D154 HydrophobicContact CD1-CB 4.45Å; S151-D154 WeakPolarHBondContact CB-OD2 3.03Å; S151-D154 PolarHBondContact N-OD2 2.89Å; S151-D154 WeakPolarHBondContact O-CB 3.43Å; S151-D154 PolarHBondContact O-N 2.81Å; S151-D154 PolarHBondContact OG-OD2 2.94Å; P152-D154 PolarHBondContact O-N 3.49Å; D154-G156 PolarHBondContact O-N 2.69Å; D154-Y158 WeakPolarHBondContact O-CE2 3.43Å; D154-Y158 PolarHBondContact O-OH 3.49Å; D154-I179 HydrophobicContact CB-CD1 3.92Å
155S84.9Confident87.4Confident37 Ų3736 Ų3626%0.25923%0.226SC..  trans-59139.8173.5-52.90000111K126 P152 G153 L177 I179K126-S155 WeakPolarHBondContact CE-O 3.48Å; K126-S155 PolarHBondContact NZ-O 3.24Å; P152-S155 VanDerWaalsContact O-CB 3.31Å; P152-S155 WeakPolarHBondContact O-CB 3.27Å; P152-S155 PolarHBondContact O-N 3.09Å; P152-S155 PolarHBondContact O-OG 2.91Å; G153-S155 VanDerWaalsContact C-N 3.33Å; S155-L177 CarbonylContact C-O 3.57Å; S155-L177 WeakPolarHBondContact CA-O 3.46Å; S155-L177 WeakPolarHBondContact CB-O 3.43Å; S155-I179 PolarHBondContact OG-N 3.42Å
156G88.1Confident87Confident12 Ų1237.4 Ų37.412%0.12424%0.238CC..EExtended strand (participates in β ladder)trans157.8177.7-177.500000113.2D154 Y158 L177D154-G156 PolarHBondContact O-N 2.69Å; G156-Y158 WeakPolarHBondContact O-CD2 3.35Å; G156-L177 PolarHBondContact N-O 2.99Å; G156-L177 PolarHBondContact O-N 2.96Å
157V91.7Very high86.9Confident49 Ų4937.6 Ų37.630%0.29725%0.246SC..EExtended strand (participates in β ladder)trans-94.9114-178.5-177.60000110K126 D127 N174 T176K126-V157 CarbonylContact C-O 3.59Å; K126-V157 WeakPolarHBondContact CA-O 3.34Å; D127-V157 PolarHBondContact N-O 3.48Å; D127-V157 PolarHBondContact OD1-N 2.88Å; V157-N174 HydrophobicContact CG1-CB 3.53Å; V157-T176 HydrophobicContact CG2-CG2 4.35Å
158Y93.4Very high87.1Confident0 Ų043.1 Ų43.10%027%0.267CS..EExtended strand (participates in β ladder)trans-97.6131-179.1-71.9-96.8000111.8L110 F125 K126 L131 L145 I147 D154 G156 N174 F175 L177L110-Y158 VanDerWaalsContact CD1-CB 3.47Å; L110-Y158 HydrophobicContact CD1-CD1 3.86Å; L110-Y158 HydrophobicContact CD1-CD2 3.96Å; L110-Y158 HydrophobicContact CD1-CG 3.48Å; L110-Y158 VanDerWaalsContact CD1-CG 3.48Å; F125-Y158 WeakPolarHBondContact O-CA 3.33Å; K126-Y158 HydrophobicContact CB-CD1 4.26Å; K126-Y158 HydrophobicContact CB-CE1 4Å; K126-Y158 HydrophobicContact CD-CE1 4.36Å; K126-Y158 HydrophobicContact CD-CE2 4.37Å; K126-Y158 HydrophobicContact CG-CE1 4.13Å; K126-Y158 HydrophobicContact CG-CE2 4.16Å; L131-Y158 HydrophobicContact CD1-CD1 4.23Å; L131-Y158 HydrophobicContact CD1-CE1 3.98Å; L145-Y158 HydrophobicContact CD2-CD1 3.5Å; L145-Y158 HydrophobicContact CD2-CE1 3.65Å; I147-Y158 HydrophobicContact CD1-CE1 4.45Å; D154-Y158 WeakPolarHBondContact O-CE2 3.43Å; D154-Y158 PolarHBondContact O-OH 3.49Å; G156-Y158 WeakPolarHBondContact O-CD2 3.35Å; Y158-N174 WeakPolarHBondContact O-CA 3.2Å; Y158-N174 WeakPolarHBondContact O-CB 3.37Å; Y158-F175 PolarHBondContact N-O 2.94Å; Y158-F175 PolarHBondContact O-N 2.87Å; Y158-L177 HydrophobicContact CD2-CB 4.02Å; Y158-L177 HydrophobicContact CE2-CB 3.83Å; Y158-L177 HydrophobicContact CE2-CD2 3.93Å
159S93.3Very high87.5Confident17 Ų1739 Ų3912%0.11925%0.25CC..EExtended strand (participates in β ladder)trans-133.9158.2176.167.50000111.5W124 F125 S171 N174W124-S159 WeakPolarHBondContact CA-O 3.43Å; F125-S159 WeakPolarHBondContact CB-OG 3.42Å; F125-S159 PolarHBondContact N-O 2.99Å; F125-S159 PolarHBondContact O-N 2.93Å; S159-S171 WeakPolarHBondContact CB-OG 2.93Å; S159-N174 WeakPolarHBondContact CB-OD1 3.14Å
160C93.1Very high88Confident0 Ų038.3 Ų38.30%025%0.245CC..EExtended strand (participates in β ladder)trans-127.814417667.80000110.7V91 C112 I114 Q123 W124 C170 S171V91-C160 HydrophobicContact CG2-CB 4.21Å; C112-C160 HydrophobicContact CB-CB 3.65Å; C112-C160 WeakPolarHBondContact CB-SG 3.41Å; C112-C160 WeakPolarHBondContact SG-CB 3.48Å; C112-C160 CovalentContact SG-SG 2.03Å; C112-C160 PolarHBondContact SG-SG 3.36Å; I114-C160 WeakPolarHBondContact CD1-O 3.45Å; Q123-C160 CarbonylContact O-C 3.57Å; Q123-C160 VanDerWaalsContact O-CA 3.29Å; Q123-C160 WeakPolarHBondContact O-CA 3.4Å; W124-C160 HydrophobicContact CD2-CB 4.04Å; W124-C160 HydrophobicContact CE3-CB 4Å; W124-C160 HydrophobicContact CH2-CB 4.46Å; W124-C160 HydrophobicContact CZ2-CB 4.48Å; W124-C160 HydrophobicContact CZ3-CB 4.22Å; C160-C170 CarbonylContact O-C 3.46Å; C160-C170 WeakPolarHBondContact O-CA 3.49Å; C160-S171 PolarHBondContact N-OG 2.81Å; C160-S171 WeakPolarHBondContact O-CB 3.28Å; C160-S171 PolarHBondContact O-N 2.77Å; C160-S171 PolarHBondContact O-OG 2.79Å
161C92.5Very high88.6Confident7 Ų739 Ų395%0.04725%0.25CC..EExtended strand (participates in β ladder)trans-125.9135.3170.6-54.20000110.4C122 Q123 F125 Y168 V169 C170C122-C161 CarbonylContact C-O 3.59Å; C122-C161 WeakPolarHBondContact CA-O 3Å; Q123-C161 PolarHBondContact N-O 2.72Å; Q123-C161 PolarHBondContact O-N 2.99Å; F125-C161 HydrophobicContact CE2-CB 4.01Å; C161-Y168 HydrophobicContact CB-CE1 4.29Å; C161-Y168 HydrophobicContact CB-CE2 3.88Å; C161-Y168 WeakPolarHBondContact CB-OH 3.42Å; C161-Y168 PolarHBondContact SG-OH 3.03Å; C161-V169 CarbonylContact C-O 3.58Å; C161-V169 WeakPolarHBondContact CA-O 3.37Å; C161-C170 HydrophobicContact CB-CB 4.03Å; C161-C170 WeakPolarHBondContact CB-SG 3.32Å; C161-C170 WeakPolarHBondContact SG-CB 3.07Å; C161-C170 CovalentContact SG-SG 2.05Å; C161-C170 PolarHBondContact SG-SG 2.79Å
162A91.3Very high88.9Confident0 Ų041.1 Ų41.10%027%0.265CS..EExtended strand (participates in β ladder)trans-123.2147.3-177.400000112.6I114 P120 T121 Y168 V169I114-A162 HydrophobicContact CB-CB 4Å; I114-A162 HydrophobicContact CD1-CB 4.06Å; I114-A162 HydrophobicContact CG2-CB 3.52Å; P120-A162 HydrophobicContact CB-CB 3.81Å; P120-A162 HydrophobicContact CG-CB 4.24Å; T121-A162 CarbonylContact O-C 3.57Å; T121-A162 WeakPolarHBondContact O-CA 3.29Å; A162-Y168 WeakPolarHBondContact O-CA 3.47Å; A162-V169 PolarHBondContact N-O 3.42Å; A162-V169 PolarHBondContact O-N 3.03Å
163K90.8Very high89.6Confident133 Ų13341.3 Ų41.358%0.57827%0.267SS*.EExtended strand (participates in β ladder)trans-128.2135.9-178.8-166.4178.1177.11780111.1P120 T121 G167 Y168P120-K163 CarbonylContact C-O 3.58Å; P120-K163 VanDerWaalsContact CA-O 3.25Å; P120-K163 WeakPolarHBondContact CA-O 3.33Å; T121-K163 PolarHBondContact N-O 2.93Å; T121-K163 PolarHBondContact O-N 3.06Å; T121-K163 PolarHBondContact OG1-O 2.9Å; K163-G167 WeakPolarHBondContact CA-O 3.17Å; K163-G167 WeakPolarHBondContact CG-O 3.14Å; K163-Y168 HydrophobicContact CB-CD2 4.04Å; K163-Y168 HydrophobicContact CG-CD2 4.32Å
164N89.9Confident90.3Very high19 Ų1942.7 Ų42.710%0.10226%0.261CS..EExtended strand (participates in β ladder)trans-140.4-169.2164.572.4-0.3000110.9W85 P118 P120 A166 G167W85-N164 PolarHBondContact O-ND2 3.27Å; P118-N164 VanDerWaalsContact O-CB 3.26Å; P118-N164 WeakPolarHBondContact O-CB 3.5Å; P118-N164 PolarHBondContact O-ND2 3.43Å; P120-N164 HydrophobicContact CB-CB 3.99Å; N164-A166 PolarHBondContact O-N 2.89Å; N164-A166 WeakPolarHBondContact OD1-CA 3.47Å; N164-A166 VanDerWaalsContact OD1-CB 3.26Å; N164-A166 WeakPolarHBondContact OD1-CB 3.49Å; N164-A166 PolarHBondContact OD1-N 3.47Å; N164-G167 PolarHBondContact N-O 2.91Å; N164-G167 PolarHBondContact O-N 2.81Å; N164-G167 VanDerWaalsContact O-O 3.04Å; N164-G167 PolarHBondContact OD1-N 2.82Å
165A86.4Confident90.6Very high64 Ų6442.3 Ų42.353%0.52926%0.258SS..THydrogen-bonded Turntrans-68.2-12.3178.100000114.3K84K84-A165 HydrophobicContact CD-CB 3.85Å
166A84.1Confident90.9Very high31 Ų3144 Ų4426%0.25627%0.267SS..THydrogen-bonded Turntrans-86.6-22.3173.200000112.8L6 K84 W85 L86 N164L6-A166 HydrophobicContact CD2-CB 4.27Å; K84-A166 HydrophobicContact CB-CB 4.04Å; W85-A166 VanDerWaalsContact C-CB 3.48Å; L86-A166 HydrophobicContact CB-CB 4.11Å; N164-A166 PolarHBondContact O-N 2.89Å; N164-A166 WeakPolarHBondContact OD1-CA 3.47Å; N164-A166 VanDerWaalsContact OD1-CB 3.26Å; N164-A166 WeakPolarHBondContact OD1-CB 3.49Å; N164-A166 PolarHBondContact OD1-N 3.47Å
167G87Confident90.8Very high30 Ų3043.5 Ų43.531%0.30926%0.262SS..EExtended strand (participates in β ladder)trans154.7-152.2176.400000114.1L86 K163 N164L86-G167 VanDerWaalsContact CD2-C 3.46Å; L86-G167 VanDerWaalsContact CD2-O 3.29Å; L86-G167 WeakPolarHBondContact CD2-O 3.28Å; K163-G167 WeakPolarHBondContact CA-O 3.17Å; K163-G167 WeakPolarHBondContact CG-O 3.14Å; N164-G167 PolarHBondContact N-O 2.91Å; N164-G167 PolarHBondContact O-N 2.81Å; N164-G167 VanDerWaalsContact O-O 3.04Å; N164-G167 PolarHBondContact OD1-N 2.82Å
168Y91.7Very high90.3Very high124 Ų12445.2 Ų45.249%0.48627%0.272SS..EExtended strand (participates in β ladder)trans-134.4130.4179.7175.8-89.9000108.8C161 A162 K163 C170C161-Y168 HydrophobicContact CB-CE1 4.29Å; C161-Y168 HydrophobicContact CB-CE2 3.88Å; C161-Y168 WeakPolarHBondContact CB-OH 3.42Å; C161-Y168 PolarHBondContact SG-OH 3.03Å; A162-Y168 WeakPolarHBondContact O-CA 3.47Å; K163-Y168 HydrophobicContact CB-CD2 4.04Å; K163-Y168 HydrophobicContact CG-CD2 4.32Å; Y168-C170 PolarHBondContact OH-SG 2.79Å
169V92.1Very high89.6Confident37 Ų3745.7 Ų45.722%0.22428%0.275CS..EExtended strand (participates in β ladder)trans-138.7148174-58.50000110.2L86 I114 C161 A162L86-V169 HydrophobicContact CD1-CG2 4.35Å; L86-V169 HydrophobicContact CD2-CB 4.34Å; L86-V169 HydrophobicContact CD2-CG1 4.03Å; L86-V169 HydrophobicContact CD2-CG2 3.81Å; L86-V169 HydrophobicContact CG-CG1 4.24Å; L86-V169 HydrophobicContact CG-CG2 3.7Å; I114-V169 HydrophobicContact CD1-CG2 4.39Å; I114-V169 HydrophobicContact CG2-CG2 3.6Å; C161-V169 CarbonylContact C-O 3.58Å; C161-V169 WeakPolarHBondContact CA-O 3.37Å; A162-V169 PolarHBondContact N-O 3.42Å; A162-V169 PolarHBondContact O-N 3.03Å
170C93.1Very high88.4Confident55 Ų5549.2 Ų49.237%0.37229%0.291SS..EExtended strand (participates in β ladder)trans-101.5167.1169.8-66.70000110.9S88 C160 C161 Y168S88-C170 PolarHBondContact OG-O 2.95Å; C160-C170 CarbonylContact O-C 3.46Å; C160-C170 WeakPolarHBondContact O-CA 3.49Å; C161-C170 HydrophobicContact CB-CB 4.03Å; C161-C170 WeakPolarHBondContact CB-SG 3.32Å; C161-C170 WeakPolarHBondContact SG-CB 3.07Å; C161-C170 CovalentContact SG-SG 2.05Å; C161-C170 PolarHBondContact SG-SG 2.79Å; Y168-C170 PolarHBondContact OH-SG 2.79Å
171S92.7Very high87.4Confident15 Ų1552.1 Ų52.111%0.10531%0.307CS..  trans-58.4135.9-17948.20000111.1G89 S159 C160 S173 N174G89-S171 WeakPolarHBondContact O-CA 3.41Å; G89-S171 WeakPolarHBondContact O-CB 3.32Å; S159-S171 WeakPolarHBondContact CB-OG 2.93Å; C160-S171 PolarHBondContact N-OG 2.81Å; C160-S171 WeakPolarHBondContact O-CB 3.28Å; C160-S171 PolarHBondContact O-N 2.77Å; C160-S171 PolarHBondContact O-OG 2.79Å; S171-S173 VanDerWaalsContact C-N 3.26Å; S171-S173 WeakPolarHBondContact CB-O 3.27Å; S171-S173 PolarHBondContact O-N 2.84Å; S171-N174 PolarHBondContact OG-OD1 2.84Å; S171-N174 VanDerWaalsContact OG-OD1 3.12Å
172S90Very high86.3Confident89 Ų8956.4 Ų56.462%0.62233%0.325SS*.SBendtrans-73.3-22.1178.451.70000112.6S88 G89 G90S88-S172 PolarHBondContact OG-N 2.93Å; S88-S172 VanDerWaalsContact OG-N 3.13Å; G89-S172 VanDerWaalsContact C-OG 3.31Å; G89-S172 PolarHBondContact O-N 2.03Å; G90-S172 PolarHBondContact N-OG 3.24Å
173S91.8Very high85.2Confident63 Ų6358.3 Ų58.344%0.44134%0.338SS..SBendtrans-142.4143.1170.360.20000110.7G90 V91 S171G90-S173 WeakPolarHBondContact CA-O 3.01Å; G90-S173 WeakPolarHBondContact CA-OG 3.5Å; V91-S173 PolarHBondContact N-O 3.1Å; S171-S173 VanDerWaalsContact C-N 3.26Å; S171-S173 WeakPolarHBondContact CB-O 3.27Å; S171-S173 PolarHBondContact O-N 2.84Å
174N93.3Very high84.7Confident86 Ų8654.2 Ų54.246%0.4632%0.324SS..  trans-97.5158.9178.2-58.6-17.1000110V157 Y158 S159 S171V157-N174 HydrophobicContact CG1-CB 3.53Å; Y158-N174 WeakPolarHBondContact O-CA 3.2Å; Y158-N174 WeakPolarHBondContact O-CB 3.37Å; S159-N174 WeakPolarHBondContact CB-OD1 3.14Å; S171-N174 PolarHBondContact OG-OD1 2.84Å; S171-N174 VanDerWaalsContact OG-OD1 3.12Å
175F92.3Very high84.5Confident21 Ų2153.4 Ų53.49%0.09232%0.319CS..EExtended strand (participates in β ladder)trans-108.5128.3177.5-173.8-93.7000110.4V91 L93 E99 L110 Y158 L177V91-F175 HydrophobicContact CB-CB 3.95Å; V91-F175 HydrophobicContact CG1-CB 3.55Å; V91-F175 HydrophobicContact CG1-CG 4.47Å; L93-F175 HydrophobicContact CB-CE1 4.36Å; L93-F175 HydrophobicContact CB-CE2 3.8Å; L93-F175 HydrophobicContact CB-CZ 3.64Å; L93-F175 HydrophobicContact CD1-CE1 4.48Å; L93-F175 HydrophobicContact CD1-CZ 4.39Å; L93-F175 HydrophobicContact CD2-CZ 4.37Å; L93-F175 HydrophobicContact CG-CZ 4.36Å; E99-F175 HydrophobicContact CG-CE2 4.4Å; E99-F175 HydrophobicContact CG-CZ 3.73Å; E99-F175 VanDerWaalsContact OE1-CE2 3.28Å; E99-F175 WeakPolarHBondContact OE1-CE2 3.28Å; E99-F175 WeakPolarHBondContact OE1-CZ 3.33Å; L110-F175 HydrophobicContact CD1-CD1 4.15Å; L110-F175 HydrophobicContact CD2-CD1 3.51Å; L110-F175 HydrophobicContact CD2-CE1 3.71Å; L110-F175 HydrophobicContact CD2-CG 4.15Å; L110-F175 HydrophobicContact CD2-CZ 4.5Å; Y158-F175 PolarHBondContact N-O 2.94Å; Y158-F175 PolarHBondContact O-N 2.87Å; F175-L177 HydrophobicContact CE1-CB 4.38Å; F175-L177 HydrophobicContact CE1-CD1 4.44Å
176T90.4Very high84.5Confident73 Ų7354.7 Ų54.745%0.44831%0.313SS..EExtended strand (participates in β ladder)trans-98.6110.3178.9-54.80000109.2V157V157-T176 HydrophobicContact CG2-CG2 4.35Å
177L87.1Confident84.8Confident1 Ų156 Ų561%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-86.7123.5174.8-178.360.4000109I102 V108 I147 S155 G156 Y158 F175 I179I102-L177 HydrophobicContact CD1-CD1 3.53Å; I102-L177 HydrophobicContact CG2-CD1 4.48Å; V108-L177 HydrophobicContact CG1-CD1 4.13Å; V108-L177 HydrophobicContact CG1-CD2 4.21Å; I147-L177 HydrophobicContact CD1-CD2 3.67Å; S155-L177 CarbonylContact C-O 3.57Å; S155-L177 WeakPolarHBondContact CA-O 3.46Å; S155-L177 WeakPolarHBondContact CB-O 3.43Å; G156-L177 PolarHBondContact N-O 2.99Å; G156-L177 PolarHBondContact O-N 2.96Å; Y158-L177 HydrophobicContact CD2-CB 4.02Å; Y158-L177 HydrophobicContact CE2-CB 3.83Å; Y158-L177 HydrophobicContact CE2-CD2 3.93Å; F175-L177 HydrophobicContact CE1-CB 4.38Å; F175-L177 HydrophobicContact CE1-CD1 4.44Å; L177-I179 HydrophobicContact CD1-CG1 4.29Å; L177-I179 HydrophobicContact CD2-CD1 4.01Å; L177-I179 HydrophobicContact CG-CD1 4.1Å; L177-I179 HydrophobicContact CG-CG1 4.21Å
178T80.4Confident85Confident85 Ų8558.8 Ų58.852%0.52133%0.33SS..  trans-123.7116.1174.4-52.40000109.3I180T178-I180 HydrophobicContact CG2-CG1 4.4Å
179I78.9Confident85Confident10 Ų1055.2 Ų55.25%0.05132%0.321CS..  trans-108.2116.5178.1-62.4154000107.8I102 A150 S151 D154 S155 L177I102-I179 HydrophobicContact CG2-CG1 3.83Å; A150-I179 HydrophobicContact CB-CD1 3.72Å; A150-I179 HydrophobicContact CB-CG1 4.45Å; S151-I179 WeakPolarHBondContact O-CD1 3.48Å; D154-I179 HydrophobicContact CB-CD1 3.92Å; S155-I179 PolarHBondContact OG-N 3.42Å; L177-I179 HydrophobicContact CD1-CG1 4.29Å; L177-I179 HydrophobicContact CD2-CD1 4.01Å; L177-I179 HydrophobicContact CG-CD1 4.1Å; L177-I179 HydrophobicContact CG-CG1 4.21Å
180I67.5Low85Confident91 Ų9157 Ų5747%0.46733%0.332SS..  trans-93.5125.6-177.1-64.6174.8000109.7T178 K182T178-I180 HydrophobicContact CG2-CG1 4.4Å; I180-K182 PolarHBondContact O-N 3.14Å
181D71.4Confident85.1Confident61 Ų6154.9 Ų54.933%0.32632%0.317SS..  trans-78.5109.7166.6-170.2-11.9000110P152 S183 V184P152-D181 HydrophobicContact CG-CB 4.4Å; D181-S183 VanDerWaalsContact C-N 3.26Å; D181-S183 VanDerWaalsContact CG-OG 3.29Å; D181-S183 PolarHBondContact O-N 2.89Å; D181-S183 WeakPolarHBondContact OD1-CB 3.18Å; D181-S183 PolarHBondContact OD1-N 3.44Å; D181-S183 PolarHBondContact OD1-OG 2.87Å; D181-S183 PolarHBondContact OD2-OG 3.11Å; D181-V184 HydrophobicContact CB-CG2 4.28Å
182K69.9Low85.2Confident97 Ų9761.3 Ų61.342%0.42235%0.346SS..THydrogen-bonded Turntrans-75.2-11.7179.1-64.6-177.9-178.7173.50113.2E103 I180 E211E103-K182 IonicContact OE1-NZ 3.48Å; I180-K182 PolarHBondContact O-N 3.14Å; K182-E211 HydrophobicContact CB-CB 4.3Å; K182-E211 WeakPolarHBondContact CD-OE2 3.43Å; K182-E211 PolarHBondContact O-N 2.83Å
183S69.6Low85.4Confident39 Ų3962.5 Ų62.527%0.27335%0.345SS..THydrogen-bonded Turntrans-82.7-12-178.573.40000114.2D181D181-S183 VanDerWaalsContact C-N 3.26Å; D181-S183 VanDerWaalsContact CG-OG 3.29Å; D181-S183 PolarHBondContact O-N 2.89Å; D181-S183 WeakPolarHBondContact OD1-CB 3.18Å; D181-S183 PolarHBondContact OD1-N 3.44Å; D181-S183 PolarHBondContact OD1-OG 2.87Å; D181-S183 PolarHBondContact OD2-OG 3.11Å
184V80.1Confident85.6Confident47 Ų4761.6 Ų61.629%0.28533%0.334SS..SBendtrans-93.6129.7-179.2-179.10000110.4D181 K186 V264D181-V184 HydrophobicContact CB-CG2 4.28Å; V184-K186 PolarHBondContact O-N 2.83Å; V184-V264 HydrophobicContact CG1-CG2 4.22Å
185P85.8Confident85.6Confident2 Ų259.4 Ų59.41%0.01332%0.324CS..  trans-60.1132.3177.6-20.431.2000112.9F208 T209 P214 V264P185-F208 HydrophobicContact CB-CB 4.22Å; P185-F208 HydrophobicContact CB-CD1 4.06Å; P185-F208 HydrophobicContact CB-CG 4.36Å; P185-T209 WeakPolarHBondContact CA-O 3.26Å; P185-P214 HydrophobicContact CB-CB 3.97Å; P185-P214 HydrophobicContact CB-CG 4.24Å; P185-P214 HydrophobicContact CG-CB 3.82Å; P185-V264 HydrophobicContact CB-CG2 4.49Å; P185-V264 WeakPolarHBondContact O-CG2 3.13Å
186K86.1Confident85.7Confident92 Ų9258.7 Ų58.740%0.432%0.321SS..EExtended strand (participates in β ladder)trans-114.5133.4173.7-65.2-178.3-178.8-178.20110.9V184 V188 F208 T209V184-K186 PolarHBondContact O-N 2.83Å; K186-V188 PolarHBondContact O-N 2.78Å; K186-F208 CarbonylContact O-C 3.6Å; K186-F208 WeakPolarHBondContact O-CA 3.25Å; K186-T209 HydrophobicContact CB-CG2 4Å; K186-T209 PolarHBondContact N-O 3.12Å; K186-T209 PolarHBondContact O-N 2.8Å
187P89.6Confident85.7Confident57 Ų5758 Ų5837%0.3732%0.315SS..EExtended strand (participates in β ladder)trans-69.9128178.828.1-32.4000110.6T190 F208 Q266P187-T190 HydrophobicContact CB-CG2 4.01Å; P187-F208 HydrophobicContact CB-CD1 4.19Å; P187-F208 HydrophobicContact CB-CE1 3.97Å; P187-Q266 HydrophobicContact CB-CG 4.05Å
188V90.8Very high85.8Confident90 Ų9064.2 Ų64.255%0.54534%0.341SS..EExtended strand (participates in β ladder)trans-101.4-42.1175.5-179.40000110.3K186 Q207 T209K186-V188 PolarHBondContact O-N 2.78Å; V188-Q207 HydrophobicContact CB-CB 4.27Å; V188-Q207 PolarHBondContact N-O 2.76Å; V188-T209 HydrophobicContact CG2-CG2 3.53Å
189V92.3Very high86.2Confident49 Ų4964.3 Ų64.330%0.29734%0.339SS..EExtended strand (participates in β ladder)trans-124.1125.8173.5-177.50000107.4H205 C206 Q207V189-H205 HydrophobicContact CG1-CB 3.69Å; V189-C206 WeakPolarHBondContact O-CA 3.17Å; V189-Q207 HydrophobicContact CB-CB 4Å; V189-Q207 HydrophobicContact CB-CG 4.17Å; V189-Q207 HydrophobicContact CG2-CB 4.07Å; V189-Q207 HydrophobicContact CG2-CG 4.13Å; V189-Q207 PolarHBondContact N-O 2.69Å; V189-Q207 PolarHBondContact O-N 3.28Å
190T92.3Very high86.9Confident73 Ų7367.2 Ų67.245%0.44835%0.352SS..  trans-106138.9179.255.10000110.5P187 H205 Q266P187-T190 HydrophobicContact CB-CG2 4.01Å; T190-H205 CarbonylContact C-O 3.09Å; T190-Q266 HydrophobicContact CG2-CG 4.22Å
191P94.9Very high88.1Confident11 Ų1167.8 Ų67.87%0.07135%0.353CS..PPolyproline II helixtrans-72.9142.117931-36000111.9F204 H205 W218 Q266 A268P191-F204 HydrophobicContact CB-CB 4.11Å; P191-F204 HydrophobicContact CB-CD1 4.16Å; P191-H205 WeakPolarHBondContact CA-O 3.39Å; P191-H205 WeakPolarHBondContact CB-O 3.46Å; P191-H205 VanDerWaalsContact N-O 3.1Å; P191-W218 HydrophobicContact CB-CH2 3.64Å; P191-W218 HydrophobicContact CB-CZ2 4.47Å; P191-W218 HydrophobicContact CG-CH2 3.83Å; P191-W218 HydrophobicContact CG-CZ3 4.44Å; P191-Q266 HydrophobicContact CG-CB 4.13Å; P191-A268 HydrophobicContact CB-CB 3.72Å; P191-A268 HydrophobicContact CG-CB 3.97Å
192E95.1Very high89.2Confident150 Ų15064.9 Ų64.970%0.70134%0.337SS*.PPolyproline II helixtrans-101.6150.4179.2-64.1-177.9177.200111.8Q194 F204E192-Q194 PolarHBondContact O-N 2.83Å; E192-F204 WeakPolarHBondContact O-CD1 3.08Å; E192-F204 WeakPolarHBondContact O-CE1 3.44Å
193N94.7Very high90.4Very high115 Ų11562.7 Ų62.762%0.61533%0.329SS*.PPolyproline II helixtrans-61.7134.6172-66.5-42.2000110.5S269N193-S269 WeakPolarHBondContact CA-O 3.41Å; N193-S269 PolarHBondContact OD1-N 2.56Å; N193-S269 PolarHBondContact OD1-OG 3.21Å
194Q94.4Very high91.7Very high43 Ų4360.8 Ų60.820%0.20132%0.316CS..EExtended strand (participates in β ladder)trans-123.9138.1-178.4-77.9176.661.200112.1E192 M203 F204 S269 L270 Q271E192-Q194 PolarHBondContact O-N 2.83Å; Q194-M203 VanDerWaalsContact NE2-C 3.27Å; Q194-M203 PolarHBondContact NE2-O 3.21Å; Q194-M203 VanDerWaalsContact OE1-N 3.13Å; Q194-F204 HydrophobicContact CB-CE1 4.24Å; Q194-F204 HydrophobicContact CB-CZ 4.3Å; Q194-F204 HydrophobicContact CG-CE1 4.27Å; Q194-S269 PolarHBondContact N-O 3.23Å; Q194-L270 HydrophobicContact CB-CD1 3.91Å; Q194-Q271 PolarHBondContact O-N 2.74Å
195V94.1Very high92.4Very high40 Ų4062.8 Ų62.824%0.24232%0.322CS..EExtended strand (participates in β ladder)trans-121.2115.5171-169.70000108.7Q271 A273 P303 K349V195-Q271 WeakPolarHBondContact CA-O 3.39Å; V195-Q271 HydrophobicContact CG2-CB 4.43Å; V195-A273 HydrophobicContact CG1-CB 3.87Å; V195-P303 HydrophobicContact CB-CG 4.24Å; V195-P303 HydrophobicContact CG1-CG 4.31Å; V195-K349 PolarHBondContact O-NZ 2.89Å
196V93.8Very high92.8Very high7 Ų762.7 Ų62.74%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-127.8158.7-173.4-56.60000111.7E200 A202 V244 L270 Q271 I272 A273V196-E200 HydrophobicContact CB-CB 4.14Å; V196-A202 HydrophobicContact CG1-CB 4.15Å; V196-A202 HydrophobicContact CG2-CB 4.42Å; V196-V244 HydrophobicContact CG2-CB 3.77Å; V196-V244 HydrophobicContact CG2-CG1 3.75Å; V196-V244 HydrophobicContact CG2-CG2 3.76Å; V196-L270 HydrophobicContact CG1-CD1 4.39Å; V196-L270 HydrophobicContact CG2-CD1 3.9Å; V196-Q271 PolarHBondContact N-O 2.89Å; V196-Q271 VanDerWaalsContact N-O 3.08Å; V196-I272 CarbonylContact O-C 3.38Å; V196-I272 VanDerWaalsContact O-CA 3.29Å; V196-I272 WeakPolarHBondContact O-CA 3.21Å; V196-A273 PolarHBondContact O-N 2.84Å
197L91.3Very high93.1Very high59 Ų5962 Ų6231%0.30932%0.32SS..  trans-73.6160172.1-72.7167000111.1N199 E200 A273 K349L197-N199 PolarHBondContact O-N 2.95Å; L197-E200 HydrophobicContact CB-CB 4.47Å; L197-E200 HydrophobicContact CB-CG 3.84Å; L197-E200 PolarHBondContact N-OE2 3.5Å; L197-E200 WeakPolarHBondContact O-CB 3.5Å; L197-E200 PolarHBondContact O-N 3.12Å; L197-E200 VanDerWaalsContact O-N 3.07Å; L197-A273 HydrophobicContact CD2-CB 4.19Å; L197-K349 HydrophobicContact CD1-CG 4.47Å; L197-K349 WeakPolarHBondContact CD2-O 3.43Å; L197-K349 HydrophobicContact CG-CG 4.21Å
198K88.8Confident93.2Very high131 Ų13160.1 Ų60.157%0.5731%0.306SS*.THydrogen-bonded Turntrans-60.1130.8172.6-174.3-177.9177.5-178.20109.7E200K198-E200 VanDerWaalsContact C-N 3.25Å; K198-E200 PolarHBondContact O-N 1.98Å
199N89.3Confident93.1Very high87 Ų8759.1 Ų59.147%0.46530%0.3SS..THydrogen-bonded Turntrans70.44.9-175-44.9-55.2000116L197 V244L197-N199 PolarHBondContact O-N 2.95Å; N199-V244 PolarHBondContact N-O 2.81Å
200E92.5Very high92.7Very high70 Ų7057.2 Ų57.233%0.32729%0.289SS..  trans-72.3166.7165-81.3-175.517000111.3V196 L197 K198 V244 K349V196-E200 HydrophobicContact CB-CB 4.14Å; L197-E200 HydrophobicContact CB-CB 4.47Å; L197-E200 HydrophobicContact CB-CG 3.84Å; L197-E200 PolarHBondContact N-OE2 3.5Å; L197-E200 WeakPolarHBondContact O-CB 3.5Å; L197-E200 PolarHBondContact O-N 3.12Å; L197-E200 VanDerWaalsContact O-N 3.07Å; K198-E200 VanDerWaalsContact C-N 3.25Å; K198-E200 PolarHBondContact O-N 1.98Å; E200-V244 WeakPolarHBondContact O-CG2 3.38Å; E200-V244 PolarHBondContact O-N 3.21Å; E200-K349 WeakPolarHBondContact OE2-CE 3.36Å; E200-K349 IonicContact OE2-NZ 3.28Å; E200-K349 PolarHBondContact OE2-NZ 2.76Å
201E93.9Very high92.1Very high103 Ų10359.8 Ų59.848%0.48130%0.296SS..  trans-81.1143.3170.9-173.6175.7142.400111M203 L240 I241E201-M203 WeakPolarHBondContact OE1-CE 3.07Å; E201-L240 HydrophobicContact CG-CD1 3.28Å; E201-L240 WeakPolarHBondContact OE1-CD1 3.09Å; E201-I241 CarbonylContact C-O 3.54Å; E201-I241 VanDerWaalsContact CA-O 3.28Å; E201-I241 WeakPolarHBondContact CA-O 3.3Å
202A94.8Very high91.4Very high1 Ų163 Ų631%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-129.6135.5167.600000109.8V196 I241 V244 L270V196-A202 HydrophobicContact CG1-CB 4.15Å; V196-A202 HydrophobicContact CG2-CB 4.42Å; A202-I241 PolarHBondContact N-O 2.97Å; A202-I241 PolarHBondContact O-N 2.99Å; A202-V244 HydrophobicContact CB-CG2 3.72Å; A202-L270 HydrophobicContact CB-CD1 3.65Å; A202-L270 HydrophobicContact CB-CD2 3.89Å; A202-L270 HydrophobicContact CB-CG 4.48Å
203M95.4Very high90.8Very high50 Ų5062.9 Ų62.925%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-134111.2-175.2-173.2-179.1-64.900111.6Q194 E201 H205 L234 L239 L240Q194-M203 VanDerWaalsContact NE2-C 3.27Å; Q194-M203 PolarHBondContact NE2-O 3.21Å; Q194-M203 VanDerWaalsContact OE1-N 3.13Å; E201-M203 WeakPolarHBondContact OE1-CE 3.07Å; M203-H205 PolarHBondContact SD-NE2 3.13Å; M203-L234 HydrophobicContact CE-CD1 4.38Å; M203-L239 CarbonylContact C-O 3.54Å; M203-L239 VanDerWaalsContact CA-O 3.28Å; M203-L239 WeakPolarHBondContact CA-O 3.29Å; M203-L240 HydrophobicContact CB-CD1 4.49Å; M203-L240 HydrophobicContact CE-CB 4.44Å; M203-L240 HydrophobicContact CE-CD1 3.85Å; M203-L240 HydrophobicContact CE-CD2 4.4Å; M203-L240 HydrophobicContact CE-CG 4.46Å
204F96.4Very high90.4Very high0 Ų058.5 Ų58.50%029%0.294CS..EExtended strand (participates in β ladder)trans-94.9125.6176.5-62.2-80.4000111.1P191 E192 Q194 W218 S238 L239 I241 Y252 A268 L270P191-F204 HydrophobicContact CB-CB 4.11Å; P191-F204 HydrophobicContact CB-CD1 4.16Å; E192-F204 WeakPolarHBondContact O-CD1 3.08Å; E192-F204 WeakPolarHBondContact O-CE1 3.44Å; Q194-F204 HydrophobicContact CB-CE1 4.24Å; Q194-F204 HydrophobicContact CB-CZ 4.3Å; Q194-F204 HydrophobicContact CG-CE1 4.27Å; F204-W218 HydrophobicContact CB-CH2 3.4Å; F204-W218 VanDerWaalsContact CB-CH2 3.4Å; F204-W218 HydrophobicContact CB-CZ2 3.78Å; F204-W218 HydrophobicContact CB-CZ3 4.16Å; F204-W218 HydrophobicContact CG-CH2 4.22Å; F204-S238 CarbonylContact O-C 3.43Å; F204-S238 VanDerWaalsContact O-CA 3.24Å; F204-S238 WeakPolarHBondContact O-CA 3.41Å; F204-S238 WeakPolarHBondContact O-CB 3.43Å; F204-L239 HydrophobicContact CB-CB 4.33Å; F204-L239 HydrophobicContact CD2-CD2 4.11Å; F204-L239 PolarHBondContact N-O 3.01Å; F204-L239 PolarHBondContact O-N 2.9Å; F204-I241 HydrophobicContact CE2-CD1 4.38Å; F204-Y252 HydrophobicContact CD2-CD2 4.49Å; F204-Y252 HydrophobicContact CD2-CG 4.34Å; F204-Y252 AromaticContact CE2-CD2 3.73Å; F204-Y252 HydrophobicContact CE2-CD2 3.73Å; F204-Y252 HydrophobicContact CE2-CE2 4.04Å; F204-Y252 HydrophobicContact CE2-CG 4.03Å; F204-Y252 AromaticContact CZ-CD2 3.98Å; F204-Y252 HydrophobicContact CZ-CD2 3.98Å; F204-Y252 HydrophobicContact CZ-CE2 4.48Å; F204-A268 HydrophobicContact CD1-CB 3.73Å; F204-A268 HydrophobicContact CE1-CB 3.7Å; F204-L270 HydrophobicContact CE2-CB 4.17Å; F204-L270 HydrophobicContact CE2-CD2 4.29Å; F204-L270 HydrophobicContact CZ-CB 3.77Å; F204-L270 HydrophobicContact CZ-CD1 4.21Å; F204-L270 HydrophobicContact CZ-CG 4.4Å
205H94.7Very high90.2Very high88 Ų8860.5 Ų60.541%0.40731%0.309SS..  trans-95.8133.5177.9-60.988.5000110.2V189 T190 P191 M203 S238V189-H205 HydrophobicContact CG1-CB 3.69Å; T190-H205 CarbonylContact C-O 3.09Å; P191-H205 WeakPolarHBondContact CA-O 3.39Å; P191-H205 WeakPolarHBondContact CB-O 3.46Å; P191-H205 VanDerWaalsContact N-O 3.1Å; M203-H205 PolarHBondContact SD-NE2 3.13Å; H205-S238 PolarHBondContact CD2-OG 3.39Å; H205-S238 VanDerWaalsContact CD2-OG 3.26Å
206C94.1Very high90.1Very high0 Ų061.3 Ų61.30%031%0.312CS..  trans-152.8134.5176.4-177.30000111.6V189 F208 L216 W218 G237 C254V189-C206 WeakPolarHBondContact O-CA 3.17Å; C206-F208 VanDerWaalsContact SG-CE2 3.55Å; C206-L216 HydrophobicContact CB-CD1 4.36Å; C206-L216 VanDerWaalsContact O-CD1 3.26Å; C206-L216 WeakPolarHBondContact O-CD1 3.48Å; C206-W218 HydrophobicContact CB-CH2 4.1Å; C206-W218 HydrophobicContact CB-CZ2 3.39Å; C206-G237 CarbonylContact O-C 3.46Å; C206-C254 HydrophobicContact CB-CB 3.64Å; C206-C254 WeakPolarHBondContact CB-SG 3.05Å; C206-C254 WeakPolarHBondContact SG-CB 3Å; C206-C254 CovalentContact SG-SG 2.01Å; C206-C254 PolarHBondContact SG-SG 2.86Å
207Q93.1Very high90Very high78 Ų7863.7 Ų63.736%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-147.1144178.8-65.3-176.5-7.500110.6V188 V189 N236V188-Q207 HydrophobicContact CB-CB 4.27Å; V188-Q207 PolarHBondContact N-O 2.76Å; V189-Q207 HydrophobicContact CB-CB 4Å; V189-Q207 HydrophobicContact CB-CG 4.17Å; V189-Q207 HydrophobicContact CG2-CB 4.07Å; V189-Q207 HydrophobicContact CG2-CG 4.13Å; V189-Q207 PolarHBondContact N-O 2.69Å; V189-Q207 PolarHBondContact O-N 3.28Å; Q207-N236 PolarHBondContact NE2-O 2.76Å
208F91.7Very high90.2Very high18 Ų1861 Ų618%0.07931%0.308CS..EExtended strand (participates in β ladder)trans-124.6156.3174.9-67.3-86.5000110.7P185 K186 P187 C206 P214 L216 G256 V264 Q266P185-F208 HydrophobicContact CB-CB 4.22Å; P185-F208 HydrophobicContact CB-CD1 4.06Å; P185-F208 HydrophobicContact CB-CG 4.36Å; K186-F208 CarbonylContact O-C 3.6Å; K186-F208 WeakPolarHBondContact O-CA 3.25Å; P187-F208 HydrophobicContact CB-CD1 4.19Å; P187-F208 HydrophobicContact CB-CE1 3.97Å; C206-F208 VanDerWaalsContact SG-CE2 3.55Å; F208-P214 HydrophobicContact CB-CG 3.68Å; F208-L216 HydrophobicContact CD2-CD1 4.13Å; F208-L216 HydrophobicContact CD2-CG 4.47Å; F208-G256 VanDerWaalsContact CD2-CA 3.49Å; F208-G256 VanDerWaalsContact CE2-CA 3.48Å; F208-V264 HydrophobicContact CE1-CB 3.95Å; F208-V264 HydrophobicContact CE1-CG1 3.8Å; F208-Q266 HydrophobicContact CE1-CG 4.35Å; F208-Q266 HydrophobicContact CZ-CG 4.08Å
209T88.3Confident90.5Very high68 Ų6856.7 Ų56.742%0.41729%0.289SS..EExtended strand (participates in β ladder)trans-127.9136172.1-175.40000110.4P185 K186 V188P185-T209 WeakPolarHBondContact CA-O 3.26Å; K186-T209 HydrophobicContact CB-CG2 4Å; K186-T209 PolarHBondContact N-O 3.12Å; K186-T209 PolarHBondContact O-N 2.8Å; V188-T209 HydrophobicContact CG2-CG2 3.53Å
210A83.5Confident90.7Very high9 Ų953.9 Ų53.97%0.07427%0.273CS..  trans-159.5159.9175.700000109.9P212 E213 P214A210-P212 CarbonylContact C-O 3.57Å; A210-P212 CarbonylContact O-C 3.57Å; A210-E213 WeakPolarHBondContact O-CA 3.35Å; A210-E213 PolarHBondContact O-N 3.49Å; A210-P214 HydrophobicContact CB-CB 4.01Å; A210-P214 HydrophobicContact CB-CG 3.9Å
211E80.4Confident90.4Very high127 Ų12755.5 Ų55.559%0.59328%0.281SS*.SBendtrans-110.1113.4170.9-72.4178.5-161.700110.7K182K182-E211 HydrophobicContact CB-CB 4.3Å; K182-E211 WeakPolarHBondContact CD-OE2 3.43Å; K182-E211 PolarHBondContact O-N 2.83Å
212P79.2Confident90Very high79 Ų7956 Ų5651%0.51329%0.287SS..SBendcis-74168.3-9.333-33.9000112.9A210 I259A210-P212 CarbonylContact C-O 3.57Å; A210-P212 CarbonylContact O-C 3.57Å; P212-I259 HydrophobicContact CG-CD1 3.16Å; P212-I259 HydrophobicContact CG-CG1 3.82Å
213E81.6Confident89.8Confident148 Ų14862.9 Ų62.969%0.69232%0.318SS*.PPolyproline II helixtrans-48129.1-173.3-75.1-67.7163.300113.4A210A210-E213 WeakPolarHBondContact O-CA 3.35Å; A210-E213 PolarHBondContact O-N 3.49Å
214P87.9Confident89.7Confident22 Ų2264.6 Ų64.614%0.14333%0.328CS..PPolyproline II helixtrans-79.9153.6-17533.7-33.8000111.7P185 F208 A210 R257P185-P214 HydrophobicContact CB-CB 3.97Å; P185-P214 HydrophobicContact CB-CG 4.24Å; P185-P214 HydrophobicContact CG-CB 3.82Å; F208-P214 HydrophobicContact CB-CG 3.68Å; A210-P214 HydrophobicContact CB-CB 4.01Å; A210-P214 HydrophobicContact CB-CG 3.9Å; P214-R257 CarbonylContact C-O 3.59Å; P214-R257 VanDerWaalsContact CA-O 3.3Å; P214-R257 WeakPolarHBondContact CA-O 3.43Å; P214-R257 VanDerWaalsContact CB-O 3.28Å; P214-R257 WeakPolarHBondContact CB-O 3.32Å
215T88.8Confident89.5Confident85 Ų8565.9 Ų65.952%0.52134%0.335SS..EExtended strand (participates in β ladder)trans-81.9144.6171.559.40000110.7G256 R257T215-G256 CarbonylContact O-C 3.5Å; T215-G256 WeakPolarHBondContact O-CA 3.17Å; T215-R257 PolarHBondContact N-O 2.82Å; T215-R257 PolarHBondContact O-N 2.85Å; T215-R257 WeakPolarHBondContact OG1-CB 3.45Å
216L92.4Very high89.2Confident58 Ų5865.1 Ų65.130%0.30434%0.337SS..EExtended strand (participates in β ladder)trans-115.7129.1-180-174.5154.6000111.1C206 F208 V255C206-L216 HydrophobicContact CB-CD1 4.36Å; C206-L216 VanDerWaalsContact O-CD1 3.26Å; C206-L216 WeakPolarHBondContact O-CD1 3.48Å; F208-L216 HydrophobicContact CD2-CD1 4.13Å; F208-L216 HydrophobicContact CD2-CG 4.47Å; L216-V255 WeakPolarHBondContact CA-O 3.38Å
217E93.1Very high88.8Confident56 Ų5670.3 Ų70.326%0.26236%0.364SS..EExtended strand (participates in β ladder)trans-127.7144.6177.3-66.3177.4153.800110.8Y219 L224 C254 V255 R257E217-Y219 HydrophobicContact CB-CE2 3.82Å; E217-Y219 PolarHBondContact OE2-OH 2.96Å; E217-L224 HydrophobicContact CB-CD1 3.93Å; E217-L224 HydrophobicContact CG-CD1 4.23Å; E217-C254 CarbonylContact O-C 3.59Å; E217-V255 PolarHBondContact N-O 2.05Å; E217-V255 PolarHBondContact O-N 3.31Å; E217-R257 IonicContact OE2-CZ 3.02Å; E217-R257 IonicContact OE2-NE 2.78Å; E217-R257 PolarHBondContact OE2-NE 2.96Å; E217-R257 IonicContact OE2-NH2 3.24Å; E217-R257 PolarHBondContact OE2-NH2 2.81Å
218W95.3Very high88.5Confident2 Ų273.2 Ų73.21%0.00838%0.375CS..EExtended strand (participates in β ladder)trans-112.3140.1173.8-83.897.3000111.1P191 F204 C206 L225 L233 G237 L239 K253 C254P191-W218 HydrophobicContact CB-CH2 3.64Å; P191-W218 HydrophobicContact CB-CZ2 4.47Å; P191-W218 HydrophobicContact CG-CH2 3.83Å; P191-W218 HydrophobicContact CG-CZ3 4.44Å; F204-W218 HydrophobicContact CB-CH2 3.4Å; F204-W218 VanDerWaalsContact CB-CH2 3.4Å; F204-W218 HydrophobicContact CB-CZ2 3.78Å; F204-W218 HydrophobicContact CB-CZ3 4.16Å; F204-W218 HydrophobicContact CG-CH2 4.22Å; C206-W218 HydrophobicContact CB-CH2 4.1Å; C206-W218 HydrophobicContact CB-CZ2 3.39Å; W218-L225 HydrophobicContact CB-CB 4.2Å; W218-L225 HydrophobicContact CB-CD1 4.11Å; W218-L225 WeakPolarHBondContact O-CB 3.28Å; W218-L225 PolarHBondContact O-N 2.83Å; W218-L233 HydrophobicContact CB-CD2 3.92Å; W218-L233 HydrophobicContact CG-CD2 3.98Å; W218-G237 PolarHBondContact NE1-O 3.14Å; W218-L239 HydrophobicContact CD2-CB 3.89Å; W218-L239 HydrophobicContact CD2-CD2 3.97Å; W218-L239 HydrophobicContact CE3-CB 4.49Å; W218-L239 HydrophobicContact CE3-CD2 3.88Å; W218-L239 HydrophobicContact CG-CB 4.12Å; W218-L239 HydrophobicContact CG-CD2 4.31Å; W218-L239 HydrophobicContact CZ2-CB 4.09Å; W218-L239 HydrophobicContact CZ3-CD2 4.38Å; W218-K253 CarbonylContact C-O 3.59Å; W218-K253 WeakPolarHBondContact CA-O 3.3Å; W218-C254 HydrophobicContact CD2-CB 4Å; W218-C254 HydrophobicContact CE3-CB 3.92Å; W218-C254 HydrophobicContact CH2-CB 3.7Å; W218-C254 HydrophobicContact CZ2-CB 3.8Å; W218-C254 HydrophobicContact CZ3-CB 3.75Å
219Y94.4Very high88Confident42 Ų4278 Ų7817%0.16541%0.411CS..EExtended strand (participates in β ladder)trans-126.2145.5175.4-62.7-102.1000110.8E217 E223 L224 Y252 K253 V255 R257E217-Y219 HydrophobicContact CB-CE2 3.82Å; E217-Y219 PolarHBondContact OE2-OH 2.96Å; Y219-E223 CarbonylContact C-O 3.54Å; Y219-E223 WeakPolarHBondContact CA-O 3.44Å; Y219-L224 HydrophobicContact CD1-CB 4.15Å; Y219-L224 HydrophobicContact CD1-CD1 4.43Å; Y219-L224 HydrophobicContact CE1-CB 3.87Å; Y219-L224 HydrophobicContact CE1-CD1 3.96Å; Y219-L224 HydrophobicContact CE2-CD1 4.07Å; Y219-Y252 CarbonylContact O-C 3.38Å; Y219-Y252 VanDerWaalsContact O-CA 3.28Å; Y219-Y252 WeakPolarHBondContact O-CA 3.27Å; Y219-K253 PolarHBondContact N-O 3.23Å; Y219-K253 PolarHBondContact O-N 2.76Å; Y219-V255 HydrophobicContact CD2-CB 4.34Å; Y219-V255 HydrophobicContact CD2-CG2 3.62Å; Y219-V255 HydrophobicContact CE2-CB 4.01Å; Y219-V255 HydrophobicContact CE2-CG2 3.65Å; Y219-R257 PolarHBondContact OH-NH2 3.38Å
220H94Very high87.9Confident28 Ų2877.7 Ų77.713%0.1340%0.402CS..EExtended strand (participates in β ladder)trans-122.8122.1168.6177.2-134.9000108.1N222 E223 L225 K247 T249 Y252H220-N222 PolarHBondContact O-N 2.84Å; H220-N222 VanDerWaalsContact O-N 3.07Å; H220-E223 PolarHBondContact N-O 2.77Å; H220-E223 PolarHBondContact O-N 2.86Å; H220-L225 HydrophobicContact CB-CD1 4.04Å; H220-L225 HydrophobicContact CB-CD2 3.75Å; H220-L225 HydrophobicContact CB-CG 4.08Å; H220-K247 PolarHBondContact CE1-O 2.73Å; H220-T249 PolarHBondContact NE2-O 2.92Å; H220-Y252 HydrophobicContact CB-CD1 4.03Å; H220-Y252 HydrophobicContact CB-CE1 3.71Å; H220-Y252 AromaticContact CD2-CE1 3.86Å; H220-Y252 AromaticContact CD2-CE2 3.71Å; H220-Y252 AromaticContact CD2-CZ 3.53Å; H220-Y252 AromaticContact CG-CE1 3.79Å; H220-Y252 AromaticContact CG-CZ 3.8Å
221E86.1Confident88.2Confident104 Ų10477.7 Ų77.749%0.48640%0.402SS..THydrogen-bonded Turntrans5036.4-177.7-60.5-59148.700114.1E223 G250 T251E221-E223 VanDerWaalsContact C-N 3.32Å; E221-E223 PolarHBondContact O-N 2.83Å; E221-G250 VanDerWaalsContact OE1-CA 3.26Å; E221-G250 WeakPolarHBondContact OE1-CA 3.43Å; E221-T251 PolarHBondContact N-O 3.12Å; E221-T251 PolarHBondContact OE1-N 3Å
222N84.4Confident88.8Confident113 Ų11373.5 Ų73.560%0.60439%0.386SS*.THydrogen-bonded Turntrans73.94.6-176.4-47.1-52.7000116.6H220 K253H220-N222 PolarHBondContact O-N 2.84Å; H220-N222 VanDerWaalsContact O-N 3.07Å; N222-K253 PolarHBondContact OD1-NZ 2.9Å
223E91.3Very high89.5Confident145 Ų14572.4 Ų72.468%0.67838%0.376SS*.EExtended strand (participates in β ladder)trans-91133.4169.2-64.5-168.3170.100111.3Y219 H220 E221 L225Y219-E223 CarbonylContact C-O 3.54Å; Y219-E223 WeakPolarHBondContact CA-O 3.44Å; H220-E223 PolarHBondContact N-O 2.77Å; H220-E223 PolarHBondContact O-N 2.86Å; E221-E223 VanDerWaalsContact C-N 3.32Å; E221-E223 PolarHBondContact O-N 2.83Å; E223-L225 PolarHBondContact O-N 2.74Å
224L92.3Very high90Very high87 Ų8768.4 Ų68.446%0.45536%0.359SS..EExtended strand (participates in β ladder)trans-65.6126.2175.5-178.969.6000110E217 Y219E217-L224 HydrophobicContact CB-CD1 3.93Å; E217-L224 HydrophobicContact CG-CD1 4.23Å; Y219-L224 HydrophobicContact CD1-CB 4.15Å; Y219-L224 HydrophobicContact CD1-CD1 4.43Å; Y219-L224 HydrophobicContact CE1-CB 3.87Å; Y219-L224 HydrophobicContact CE1-CD1 3.96Å; Y219-L224 HydrophobicContact CE2-CD1 4.07Å
225L92.1Very high89.8Confident26 Ų2674 Ų7414%0.13640%0.398CS..PPolyproline II helixtrans-82.6138.9176.9-65.2-179000110.7W218 H220 E223 V231 L233 L239 Y252W218-L225 HydrophobicContact CB-CB 4.2Å; W218-L225 HydrophobicContact CB-CD1 4.11Å; W218-L225 WeakPolarHBondContact O-CB 3.28Å; W218-L225 PolarHBondContact O-N 2.83Å; H220-L225 HydrophobicContact CB-CD1 4.04Å; H220-L225 HydrophobicContact CB-CD2 3.75Å; H220-L225 HydrophobicContact CB-CG 4.08Å; E223-L225 PolarHBondContact O-N 2.74Å; L225-V231 HydrophobicContact CD1-CG1 4.49Å; L225-L233 WeakPolarHBondContact O-CD1 3.21Å; L225-L239 HydrophobicContact CD1-CD1 3.87Å; L225-L239 HydrophobicContact CD1-CD2 3.6Å; L225-L239 HydrophobicContact CD1-CG 4.41Å; L225-Y252 HydrophobicContact CD1-CD1 3.86Å; L225-Y252 HydrophobicContact CD1-CE1 3.73Å
226V89.4Confident89.8Confident73 Ų7373.5 Ų73.544%0.44239%0.392SS..  trans-132.8159.5174-63.10000108.9K228V226-K228 HydrophobicContact CG2-CG 4.3Å; V226-K228 PolarHBondContact O-N 2.93Å; V226-K228 VanDerWaalsContact O-N 3.15Å
227N86.5Confident89.6Confident108 Ų10871.4 Ų71.458%0.57839%0.385SS*.  trans-56.1119.3176.6-78.1-19.9000111.2S232 L233N227-S232 WeakPolarHBondContact OD1-CA 3.47Å; N227-L233 WeakPolarHBondContact OD1-CB 3.42Å; N227-L233 PolarHBondContact OD1-N 2.93Å
228K85.3Confident89.6Confident139 Ų13968.8 Ų68.860%0.60437%0.373SS*.BIsolated β-bridgetrans-134.4173.3177.4-71.4-179.9-177.9173.60109.1V226 R230 V231V226-K228 HydrophobicContact CG2-CG 4.3Å; V226-K228 PolarHBondContact O-N 2.93Å; V226-K228 VanDerWaalsContact O-N 3.15Å; K228-R230 PolarHBondContact O-N 2.95Å; K228-V231 PolarHBondContact N-O 3.11Å; K228-V231 PolarHBondContact O-N 2.86Å
229S80.7Confident89.6Confident118 Ų11868.7 Ų68.783%0.82537%0.372SS*.THydrogen-bonded Turntrans-57.9-16.3-175.6580000116.5
230R86.5Confident89.6Confident62 Ų6267.9 Ų67.923%0.23437%0.371CS..THydrogen-bonded Turntrans-132.71.1-178.3-62.2-177.7-179.9-127.4-8114.1K228 I241 T242 Q243 Y248K228-R230 PolarHBondContact O-N 2.95Å; R230-I241 WeakPolarHBondContact O-CA 3.5Å; R230-T242 PolarHBondContact O-N 3.29Å; R230-Q243 VanDerWaalsContact CZ-OE1 3.27Å; R230-Y248 HydrophobicContact CB-CE2 4.4Å; R230-Y248 WeakPolarHBondContact CD-OH 3.29Å
231V91.4Very high89.7Confident10 Ų1066.5 Ų66.56%0.06136%0.364CS..EExtended strand (participates in β ladder)trans-134.7118-177.8-178.70000106.8L225 K228 L239 L240 I241 Y248L225-V231 HydrophobicContact CD1-CG1 4.49Å; K228-V231 PolarHBondContact N-O 3.11Å; K228-V231 PolarHBondContact O-N 2.86Å; V231-L239 HydrophobicContact CG1-CD1 3.49Å; V231-L239 VanDerWaalsContact CG1-CD1 3.49Å; V231-L240 CarbonylContact C-O 3.53Å; V231-L240 WeakPolarHBondContact CA-O 3.23Å; V231-I241 HydrophobicContact CG2-CG1 4.44Å; V231-Y248 HydrophobicContact CG2-CD1 4.34Å; V231-Y248 HydrophobicContact CG2-CE1 3.9Å
232S92.8Very high90Very high39 Ų3964.3 Ų64.327%0.27336%0.358SS..EExtended strand (participates in β ladder)trans-127.8122.9-174.2-590000110.1N227 L240N227-S232 WeakPolarHBondContact OD1-CA 3.47Å; S232-L240 PolarHBondContact N-O 3.03Å; S232-L240 PolarHBondContact O-N 3.49Å
233L92.6Very high90.3Very high56 Ų5662.7 Ų62.729%0.29335%0.347SS..EExtended strand (participates in β ladder)trans-87.7116.7170.2-62.4168.4000107.8W218 L225 N227 L239W218-L233 HydrophobicContact CB-CD2 3.92Å; W218-L233 HydrophobicContact CG-CD2 3.98Å; L225-L233 WeakPolarHBondContact O-CD1 3.21Å; N227-L233 WeakPolarHBondContact OD1-CB 3.42Å; N227-L233 PolarHBondContact OD1-N 2.93Å; L233-L239 HydrophobicContact CD2-CB 4.5Å; L233-L239 HydrophobicContact CD2-CD1 3.74Å
234L91.9Very high90.4Very high64 Ų6455.8 Ų55.834%0.33532%0.315SS..  trans-86.1154.6-178.6-57.2-176000110.5M203 N236 G237 S238 L240M203-L234 HydrophobicContact CE-CD1 4.38Å; L234-N236 WeakPolarHBondContact CB-OD1 3.49Å; L234-N236 PolarHBondContact O-N 3.22Å; L234-N236 VanDerWaalsContact O-N 3.13Å; L234-G237 PolarHBondContact O-N 3.4Å; L234-S238 PolarHBondContact N-O 2.77Å; L234-L240 HydrophobicContact CD1-CB 4.49Å; L234-L240 HydrophobicContact CG-CB 4.5Å
235S85.6Confident90.3Very high138 Ų13855.1 Ų55.197%0.96531%0.308SS*.THydrogen-bonded Turntrans-61.2-22.3-179.552.90000113.8G237S235-G237 VanDerWaalsContact C-N 3.27Å; S235-G237 PolarHBondContact O-N 2.98Å
236N87.4Confident90.3Very high75 Ų7557.9 Ų57.940%0.40133%0.328SS..THydrogen-bonded Turntrans-85.78.917872-4.3000113.9Q207 L234 S238Q207-N236 PolarHBondContact NE2-O 2.76Å; L234-N236 WeakPolarHBondContact CB-OD1 3.49Å; L234-N236 PolarHBondContact O-N 3.22Å; L234-N236 VanDerWaalsContact O-N 3.13Å; N236-S238 WeakPolarHBondContact OD1-CB 3.19Å; N236-S238 PolarHBondContact OD1-N 2.87Å; N236-S238 PolarHBondContact OD1-OG 2.85Å
237G87.5Confident90.3Very high14 Ų1461.1 Ų61.114%0.14434%0.336CS..SBendtrans88.7-2.9-179.600000115.3C206 W218 L234 S235C206-G237 CarbonylContact O-C 3.46Å; W218-G237 PolarHBondContact NE1-O 3.14Å; L234-G237 PolarHBondContact O-N 3.4Å; S235-G237 VanDerWaalsContact C-N 3.27Å; S235-G237 PolarHBondContact O-N 2.98Å
238S94Very high90.6Very high1 Ų157.2 Ų57.21%0.00731%0.313CS..  trans-83.9148.4-176.6-510000112.8F204 H205 L234 N236F204-S238 CarbonylContact O-C 3.43Å; F204-S238 VanDerWaalsContact O-CA 3.24Å; F204-S238 WeakPolarHBondContact O-CA 3.41Å; F204-S238 WeakPolarHBondContact O-CB 3.43Å; H205-S238 PolarHBondContact CD2-OG 3.39Å; H205-S238 VanDerWaalsContact CD2-OG 3.26Å; L234-S238 PolarHBondContact N-O 2.77Å; N236-S238 WeakPolarHBondContact OD1-CB 3.19Å; N236-S238 PolarHBondContact OD1-N 2.87Å; N236-S238 PolarHBondContact OD1-OG 2.85Å
239L95.1Very high90.9Very high0 Ų053 Ų530%030%0.299CS..EExtended strand (participates in β ladder)trans-105.2120.6176.217369.2000109.9M203 F204 W218 L225 V231 L233 Y252M203-L239 CarbonylContact C-O 3.54Å; M203-L239 VanDerWaalsContact CA-O 3.28Å; M203-L239 WeakPolarHBondContact CA-O 3.29Å; F204-L239 HydrophobicContact CB-CB 4.33Å; F204-L239 HydrophobicContact CD2-CD2 4.11Å; F204-L239 PolarHBondContact N-O 3.01Å; F204-L239 PolarHBondContact O-N 2.9Å; W218-L239 HydrophobicContact CD2-CB 3.89Å; W218-L239 HydrophobicContact CD2-CD2 3.97Å; W218-L239 HydrophobicContact CE3-CB 4.49Å; W218-L239 HydrophobicContact CE3-CD2 3.88Å; W218-L239 HydrophobicContact CG-CB 4.12Å; W218-L239 HydrophobicContact CG-CD2 4.31Å; W218-L239 HydrophobicContact CZ2-CB 4.09Å; W218-L239 HydrophobicContact CZ3-CD2 4.38Å; L225-L239 HydrophobicContact CD1-CD1 3.87Å; L225-L239 HydrophobicContact CD1-CD2 3.6Å; L225-L239 HydrophobicContact CD1-CG 4.41Å; V231-L239 HydrophobicContact CG1-CD1 3.49Å; V231-L239 VanDerWaalsContact CG1-CD1 3.49Å; L233-L239 HydrophobicContact CD2-CB 4.5Å; L233-L239 HydrophobicContact CD2-CD1 3.74Å; L239-Y252 HydrophobicContact CD2-CD1 3.33Å; L239-Y252 HydrophobicContact CD2-CE1 3.62Å; L239-Y252 HydrophobicContact CD2-CG 4.26Å
240L95.1Very high91.5Very high25 Ų2548.2 Ų48.213%0.13127%0.269CS..EExtended strand (participates in β ladder)trans-109.7128.8178.8168.759.4000111.1E201 M203 V231 S232 L234 T242E201-L240 HydrophobicContact CG-CD1 3.28Å; E201-L240 WeakPolarHBondContact OE1-CD1 3.09Å; M203-L240 HydrophobicContact CB-CD1 4.49Å; M203-L240 HydrophobicContact CE-CB 4.44Å; M203-L240 HydrophobicContact CE-CD1 3.85Å; M203-L240 HydrophobicContact CE-CD2 4.4Å; M203-L240 HydrophobicContact CE-CG 4.46Å; V231-L240 CarbonylContact C-O 3.53Å; V231-L240 WeakPolarHBondContact CA-O 3.23Å; S232-L240 PolarHBondContact N-O 3.03Å; S232-L240 PolarHBondContact O-N 3.49Å; L234-L240 HydrophobicContact CD1-CB 4.49Å; L234-L240 HydrophobicContact CG-CB 4.5Å; L240-T242 HydrophobicContact CD1-CG2 4.49Å; L240-T242 HydrophobicContact CD2-CG2 4.2Å; L240-T242 HydrophobicContact CG-CG2 4.12Å
241I95.9Very high91.9Very high0 Ų048 Ų480%027%0.274CS..EExtended strand (participates in β ladder)trans-116.4108.1171.7-55.7165.6000108.2E201 A202 F204 R230 V231 Q243 V244 Y248 Y252 L270E201-I241 CarbonylContact C-O 3.54Å; E201-I241 VanDerWaalsContact CA-O 3.28Å; E201-I241 WeakPolarHBondContact CA-O 3.3Å; A202-I241 PolarHBondContact N-O 2.97Å; A202-I241 PolarHBondContact O-N 2.99Å; F204-I241 HydrophobicContact CE2-CD1 4.38Å; R230-I241 WeakPolarHBondContact O-CA 3.5Å; V231-I241 HydrophobicContact CG2-CG1 4.44Å; I241-Q243 PolarHBondContact O-N 2.84Å; I241-V244 HydrophobicContact CB-CG2 4.25Å; I241-V244 HydrophobicContact CG2-CG2 3.8Å; I241-Y248 HydrophobicContact CG2-CD2 4.07Å; I241-Y248 HydrophobicContact CG2-CG 4.17Å; I241-Y252 HydrophobicContact CD1-CE1 4.02Å; I241-Y252 HydrophobicContact CD1-CE2 4.3Å; I241-Y252 VanDerWaalsContact CD1-OH 3.22Å; I241-Y252 WeakPolarHBondContact CD1-OH 3.31Å; I241-L270 HydrophobicContact CD1-CD2 3.62Å
242T91.9Very high92.1Very high57 Ų5747.6 Ų47.635%0.3527%0.272SS..SBendtrans-75.9-23.7-169.555.50000114.5R230 L240R230-T242 PolarHBondContact O-N 3.29Å; L240-T242 HydrophobicContact CD1-CG2 4.49Å; L240-T242 HydrophobicContact CD2-CG2 4.2Å; L240-T242 HydrophobicContact CG-CG2 4.12Å
243Q91.5Very high92.2Very high80 Ų8048.9 Ų48.937%0.37427%0.272SS..SBendtrans-146.798177.3-71.6-175.84.600110.8R230 I241 K245 Y248R230-Q243 VanDerWaalsContact CZ-OE1 3.27Å; I241-Q243 PolarHBondContact O-N 2.84Å; Q243-K245 PolarHBondContact O-N 3.26Å; Q243-Y248 WeakPolarHBondContact O-CE2 3.48Å
244V92.3Very high92.3Very high0 Ų046.2 Ų46.20%026%0.258CS..  trans-69.9128-178.2177.80000111.3V196 N199 E200 A202 I241 L270 I272V196-V244 HydrophobicContact CG2-CB 3.77Å; V196-V244 HydrophobicContact CG2-CG1 3.75Å; V196-V244 HydrophobicContact CG2-CG2 3.76Å; N199-V244 PolarHBondContact N-O 2.81Å; E200-V244 WeakPolarHBondContact O-CG2 3.38Å; E200-V244 PolarHBondContact O-N 3.21Å; A202-V244 HydrophobicContact CB-CG2 3.72Å; I241-V244 HydrophobicContact CB-CG2 4.25Å; I241-V244 HydrophobicContact CG2-CG2 3.8Å; V244-L270 HydrophobicContact CG1-CD2 4Å; V244-L270 HydrophobicContact CG1-CG 4.36Å; V244-L270 HydrophobicContact CG2-CD2 3.87Å; V244-I272 HydrophobicContact CG1-CD1 4.38Å; V244-I272 HydrophobicContact CG1-CG1 3.97Å
245K91.6Very high92.5Very high72 Ų7243.6 Ų43.631%0.31325%0.245SC..  trans-128.8160.9178.8-75.4-174.8166.2176.40107.3Q243 K247 Y248Q243-K245 PolarHBondContact O-N 3.26Å; K245-K247 HydrophobicContact CB-CG 4.32Å; K245-K247 PolarHBondContact O-N 3.43Å; K245-Y248 HydrophobicContact CB-CD2 3.87Å; K245-Y248 HydrophobicContact CB-CE2 4.09Å; K245-Y248 HydrophobicContact CG-CE2 4.49Å; K245-Y248 WeakPolarHBondContact O-CB 3.44Å; K245-Y248 PolarHBondContact O-N 2.65Å
246P90.4Very high92.8Very high85 Ų8537 Ų3755%0.55220%0.199SC*.G310 helixtrans-52.2-34.9-178.4-29.535.9000114.1Y248 T249 I272P246-Y248 PolarHBondContact O-N 2.9Å; P246-Y248 VanDerWaalsContact O-N 3.15Å; P246-T249 PolarHBondContact O-N 3.08Å; P246-T249 VanDerWaalsContact O-N 3.11Å; P246-T249 PolarHBondContact O-OG1 3.19Å; P246-I272 HydrophobicContact CB-CD1 4.43Å; P246-I272 HydrophobicContact CG-CD1 4.06Å
247K90.3Very high92.9Very high140 Ų14037.8 Ų37.861%0.60920%0.196SC*.G310 helixtrans-66.5-12.7176.770.3174-172.3170.80115.7H220 K245H220-K247 PolarHBondContact CE1-O 2.73Å; K245-K247 HydrophobicContact CB-CG 4.32Å; K245-K247 PolarHBondContact O-N 3.43Å
248Y92.2Very high92.7Very high27 Ų2737.8 Ų37.811%0.10620%0.196CC..G310 helixtrans-99.5-2.5176.8-58.7-55.3000111.4R230 V231 I241 Q243 K245 P246 Y252 L270R230-Y248 HydrophobicContact CB-CE2 4.4Å; R230-Y248 WeakPolarHBondContact CD-OH 3.29Å; V231-Y248 HydrophobicContact CG2-CD1 4.34Å; V231-Y248 HydrophobicContact CG2-CE1 3.9Å; I241-Y248 HydrophobicContact CG2-CD2 4.07Å; I241-Y248 HydrophobicContact CG2-CG 4.17Å; Q243-Y248 WeakPolarHBondContact O-CE2 3.48Å; K245-Y248 HydrophobicContact CB-CD2 3.87Å; K245-Y248 HydrophobicContact CB-CE2 4.09Å; K245-Y248 HydrophobicContact CG-CE2 4.49Å; K245-Y248 WeakPolarHBondContact O-CB 3.44Å; K245-Y248 PolarHBondContact O-N 2.65Å; P246-Y248 PolarHBondContact O-N 2.9Å; P246-Y248 VanDerWaalsContact O-N 3.15Å; Y248-Y252 VanDerWaalsContact O-CE2 3.32Å; Y248-Y252 WeakPolarHBondContact O-CE2 3.42Å; Y248-Y252 PolarHBondContact O-OH 3.44Å; Y248-L270 WeakPolarHBondContact O-CD2 3.26Å
249T93.2Very high91.9Very high49 Ų4942.8 Ų42.830%0.30122%0.222SC..  trans-74.9157.1171.861.80000110.3H220 P246 L270 I272H220-T249 PolarHBondContact NE2-O 2.92Å; P246-T249 PolarHBondContact O-N 3.08Å; P246-T249 VanDerWaalsContact O-N 3.11Å; P246-T249 PolarHBondContact O-OG1 3.19Å; T249-L270 CarbonylContact C-O 3.46Å; T249-L270 VanDerWaalsContact CA-O 3.24Å; T249-L270 WeakPolarHBondContact CA-O 3.26Å; T249-L270 VanDerWaalsContact CB-O 3.27Å; T249-L270 WeakPolarHBondContact CB-O 3.25Å; T249-I272 HydrophobicContact CG2-CB 4.4Å; T249-I272 HydrophobicContact CG2-CD1 3.78Å; T249-I272 HydrophobicContact CG2-CG1 3.63Å
250G92.3Very high90.6Very high19 Ų1946.7 Ų46.720%0.19626%0.262CS..EExtended strand (participates in β ladder)trans129-164.1178.800000112.5E221 S269 L270E221-G250 VanDerWaalsContact OE1-CA 3.26Å; E221-G250 WeakPolarHBondContact OE1-CA 3.43Å; G250-S269 WeakPolarHBondContact O-CA 3.33Å; G250-L270 PolarHBondContact N-O 2.87Å; G250-L270 PolarHBondContact O-N 3.1Å
251T95.1Very high89.4Confident57 Ų5748.4 Ų48.435%0.3529%0.286SS..EExtended strand (participates in β ladder)trans-93.5124.8-176-50.40000110.5E221E221-T251 PolarHBondContact N-O 3.12Å; E221-T251 PolarHBondContact OE1-N 3Å
252Y95.9Very high88.6Confident2 Ų250.2 Ų50.21%0.00830%0.298CS..EExtended strand (participates in β ladder)trans-99.8131.7171.3-71.2-91.3000109.8F204 Y219 H220 L225 L239 I241 Y248 T267 A268 L270F204-Y252 HydrophobicContact CD2-CD2 4.49Å; F204-Y252 HydrophobicContact CD2-CG 4.34Å; F204-Y252 AromaticContact CE2-CD2 3.73Å; F204-Y252 HydrophobicContact CE2-CD2 3.73Å; F204-Y252 HydrophobicContact CE2-CE2 4.04Å; F204-Y252 HydrophobicContact CE2-CG 4.03Å; F204-Y252 AromaticContact CZ-CD2 3.98Å; F204-Y252 HydrophobicContact CZ-CD2 3.98Å; F204-Y252 HydrophobicContact CZ-CE2 4.48Å; Y219-Y252 CarbonylContact O-C 3.38Å; Y219-Y252 VanDerWaalsContact O-CA 3.28Å; Y219-Y252 WeakPolarHBondContact O-CA 3.27Å; H220-Y252 HydrophobicContact CB-CD1 4.03Å; H220-Y252 HydrophobicContact CB-CE1 3.71Å; H220-Y252 AromaticContact CD2-CE1 3.86Å; H220-Y252 AromaticContact CD2-CE2 3.71Å; H220-Y252 AromaticContact CD2-CZ 3.53Å; H220-Y252 AromaticContact CG-CE1 3.79Å; H220-Y252 AromaticContact CG-CZ 3.8Å; L225-Y252 HydrophobicContact CD1-CD1 3.86Å; L225-Y252 HydrophobicContact CD1-CE1 3.73Å; L239-Y252 HydrophobicContact CD2-CD1 3.33Å; L239-Y252 HydrophobicContact CD2-CE1 3.62Å; L239-Y252 HydrophobicContact CD2-CG 4.26Å; I241-Y252 HydrophobicContact CD1-CE1 4.02Å; I241-Y252 HydrophobicContact CD1-CE2 4.3Å; I241-Y252 VanDerWaalsContact CD1-OH 3.22Å; I241-Y252 WeakPolarHBondContact CD1-OH 3.31Å; Y248-Y252 VanDerWaalsContact O-CE2 3.32Å; Y248-Y252 WeakPolarHBondContact O-CE2 3.42Å; Y248-Y252 PolarHBondContact O-OH 3.44Å; Y252-T267 CarbonylContact O-C 3.54Å; Y252-T267 VanDerWaalsContact O-CA 3.31Å; Y252-T267 WeakPolarHBondContact O-CA 3.36Å; Y252-A268 PolarHBondContact N-O 3.46Å; Y252-A268 PolarHBondContact O-N 2.87Å; Y252-L270 HydrophobicContact CD2-CB 4.07Å; Y252-L270 HydrophobicContact CE2-CB 3.63Å; Y252-L270 HydrophobicContact CE2-CD2 4.15Å
253K95.1Very high88.3Confident65 Ų6550.7 Ų50.728%0.28330%0.301SS..EExtended strand (participates in β ladder)trans-116.4123.4177.5-49.3-176.9174.7171.60109.3W218 Y219 N222 V255 T265 Q266 T267W218-K253 CarbonylContact C-O 3.59Å; W218-K253 WeakPolarHBondContact CA-O 3.3Å; Y219-K253 PolarHBondContact N-O 3.23Å; Y219-K253 PolarHBondContact O-N 2.76Å; N222-K253 PolarHBondContact OD1-NZ 2.9Å; K253-V255 HydrophobicContact CB-CG2 4.48Å; K253-T265 HydrophobicContact CB-CG2 3.99Å; K253-T265 HydrophobicContact CD-CG2 4.47Å; K253-Q266 CarbonylContact C-O 3.56Å; K253-Q266 VanDerWaalsContact CA-O 3.31Å; K253-Q266 WeakPolarHBondContact CA-O 3.48Å; K253-T267 HydrophobicContact CG-CG2 4.02Å
254C94.9Very high88.3Confident0 Ų048.5 Ų48.50%029%0.293CS..EExtended strand (participates in β ladder)trans-99.7122.6170.3-1780000109C206 E217 W218 T265 Q266C206-C254 HydrophobicContact CB-CB 3.64Å; C206-C254 WeakPolarHBondContact CB-SG 3.05Å; C206-C254 WeakPolarHBondContact SG-CB 3Å; C206-C254 CovalentContact SG-SG 2.01Å; C206-C254 PolarHBondContact SG-SG 2.86Å; E217-C254 CarbonylContact O-C 3.59Å; W218-C254 HydrophobicContact CD2-CB 4Å; W218-C254 HydrophobicContact CE3-CB 3.92Å; W218-C254 HydrophobicContact CH2-CB 3.7Å; W218-C254 HydrophobicContact CZ2-CB 3.8Å; W218-C254 HydrophobicContact CZ3-CB 3.75Å; C254-T265 CarbonylContact O-C 3.48Å; C254-T265 WeakPolarHBondContact O-CA 3.27Å; C254-Q266 PolarHBondContact N-O 2.82Å; C254-Q266 PolarHBondContact O-N 2.89Å
255V94.3Very high88.4Confident9 Ų951.5 Ų51.56%0.05531%0.311CS..EExtended strand (participates in β ladder)trans-119.2116.4-170.6-1770000109.2L216 E217 Y219 K253 R257 V263 V264 T265L216-V255 WeakPolarHBondContact CA-O 3.38Å; E217-V255 PolarHBondContact N-O 2.05Å; E217-V255 PolarHBondContact O-N 3.31Å; Y219-V255 HydrophobicContact CD2-CB 4.34Å; Y219-V255 HydrophobicContact CD2-CG2 3.62Å; Y219-V255 HydrophobicContact CE2-CB 4.01Å; Y219-V255 HydrophobicContact CE2-CG2 3.65Å; K253-V255 HydrophobicContact CB-CG2 4.48Å; V255-R257 HydrophobicContact CG1-CG 4.22Å; V255-V263 HydrophobicContact CG1-CG1 3.4Å; V255-V264 CarbonylContact C-O 3.44Å; V255-V264 WeakPolarHBondContact CA-O 3.43Å; V255-T265 HydrophobicContact CG2-CG2 4.03Å
256G92.7Very high88.6Confident0 Ų050.4 Ų50.40%031%0.308CS..EExtended strand (participates in β ladder)trans-94.9126.6171.300000110F208 T215 V263 V264F208-G256 VanDerWaalsContact CD2-CA 3.49Å; F208-G256 VanDerWaalsContact CE2-CA 3.48Å; T215-G256 CarbonylContact O-C 3.5Å; T215-G256 WeakPolarHBondContact O-CA 3.17Å; G256-V263 WeakPolarHBondContact O-CA 3.05Å; G256-V264 PolarHBondContact N-O 3.08Å; G256-V264 PolarHBondContact O-N 2.86Å
257R89.6Confident88.8Confident92 Ų9250.4 Ų50.435%0.34731%0.306SS..EExtended strand (participates in β ladder)trans-115.7124.7177.1-51.6-178.2176.7-87.6-1.1110.7P214 T215 E217 Y219 V255 S262 V263P214-R257 CarbonylContact C-O 3.59Å; P214-R257 VanDerWaalsContact CA-O 3.3Å; P214-R257 WeakPolarHBondContact CA-O 3.43Å; P214-R257 VanDerWaalsContact CB-O 3.28Å; P214-R257 WeakPolarHBondContact CB-O 3.32Å; T215-R257 PolarHBondContact N-O 2.82Å; T215-R257 PolarHBondContact O-N 2.85Å; T215-R257 WeakPolarHBondContact OG1-CB 3.45Å; E217-R257 IonicContact OE2-CZ 3.02Å; E217-R257 IonicContact OE2-NE 2.78Å; E217-R257 PolarHBondContact OE2-NE 2.96Å; E217-R257 IonicContact OE2-NH2 3.24Å; E217-R257 PolarHBondContact OE2-NH2 2.81Å; Y219-R257 PolarHBondContact OH-NH2 3.38Å; V255-R257 HydrophobicContact CG1-CG 4.22Å; R257-S262 WeakPolarHBondContact CA-O 3.4Å; R257-V263 HydrophobicContact CG-CG2 4.27Å
258G83.3Confident89Confident14 Ų1443.9 Ų43.914%0.14428%0.278CS..  trans-99.3-175175.800000112.3S262G258-S262 PolarHBondContact N-O 3.08Å
259I77.1Confident89.1Confident105 Ų10544 Ų4454%0.53828%0.283SS..G310 helixtrans-68145.4177.6-66.4-160.9000110.7P212 G261P212-I259 HydrophobicContact CG-CD1 3.16Å; P212-I259 HydrophobicContact CG-CG1 3.82Å; I259-G261 VanDerWaalsContact C-N 3.27Å; I259-G261 PolarHBondContact O-N 2.9Å
260G67.7Low89.2Confident83 Ų8341.6 Ų41.686%0.85627%0.268SS*.G310 helixtrans78.85.9178.300000114.7
261G70.9Confident89.3Confident60 Ų6044 Ų4462%0.61927%0.274SS*.G310 helixtrans8912.7177.800000114.7I259 V263I259-G261 VanDerWaalsContact C-N 3.27Å; I259-G261 PolarHBondContact O-N 2.9Å; G261-V263 WeakPolarHBondContact O-CG2 3.49Å; G261-V263 PolarHBondContact O-N 2.81Å
262S77.8Confident89.2Confident38 Ų3843.3 Ų43.327%0.26627%0.268SS..  trans-64.2122.8172.2-62.50000110.9R257 G258R257-S262 WeakPolarHBondContact CA-O 3.4Å; G258-S262 PolarHBondContact N-O 3.08Å
263V87.2Confident89.1Confident67 Ų6743.7 Ų43.741%0.40627%0.271SS..EExtended strand (participates in β ladder)trans-122.4131.8-175.9-178.50000111V255 G256 R257 G261V255-V263 HydrophobicContact CG1-CG1 3.4Å; G256-V263 WeakPolarHBondContact O-CA 3.05Å; R257-V263 HydrophobicContact CG-CG2 4.27Å; G261-V263 WeakPolarHBondContact O-CG2 3.49Å; G261-V263 PolarHBondContact O-N 2.81Å
264V91Very high88.9Confident34 Ų3444.5 Ų44.521%0.20628%0.279CS..EExtended strand (participates in β ladder)trans-122.4134.9169.7-178.70000109.6V184 P185 F208 V255 G256V184-V264 HydrophobicContact CG1-CG2 4.22Å; P185-V264 HydrophobicContact CB-CG2 4.49Å; P185-V264 WeakPolarHBondContact O-CG2 3.13Å; F208-V264 HydrophobicContact CE1-CB 3.95Å; F208-V264 HydrophobicContact CE1-CG1 3.8Å; V255-V264 CarbonylContact C-O 3.44Å; V255-V264 WeakPolarHBondContact CA-O 3.43Å; G256-V264 PolarHBondContact N-O 3.08Å; G256-V264 PolarHBondContact O-N 2.86Å
265T93.4Very high88.9Confident63 Ų6345.2 Ų45.239%0.38728%0.283SS..EExtended strand (participates in β ladder)trans-125127.6-174.9-59.20000110.9K253 C254 V255 T267K253-T265 HydrophobicContact CB-CG2 3.99Å; K253-T265 HydrophobicContact CD-CG2 4.47Å; C254-T265 CarbonylContact O-C 3.48Å; C254-T265 WeakPolarHBondContact O-CA 3.27Å; V255-T265 HydrophobicContact CG2-CG2 4.03Å; T265-T267 HydrophobicContact CG2-CG2 4.35Å
266Q95.3Very high88.8Confident50 Ų5046 Ų4623%0.23429%0.293CS..EExtended strand (participates in β ladder)trans-107.5148.4168.8-59.1-56.2113.700110.3P187 T190 P191 F208 K253 C254P187-Q266 HydrophobicContact CB-CG 4.05Å; T190-Q266 HydrophobicContact CG2-CG 4.22Å; P191-Q266 HydrophobicContact CG-CB 4.13Å; F208-Q266 HydrophobicContact CE1-CG 4.35Å; F208-Q266 HydrophobicContact CZ-CG 4.08Å; K253-Q266 CarbonylContact C-O 3.56Å; K253-Q266 VanDerWaalsContact CA-O 3.31Å; K253-Q266 WeakPolarHBondContact CA-O 3.48Å; C254-Q266 PolarHBondContact N-O 2.82Å; C254-Q266 PolarHBondContact O-N 2.89Å
267T94.8Very high88.6Confident85 Ų8551 Ų5152%0.52133%0.328SS..EExtended strand (participates in β ladder)trans-126.9145.9-178.459.70000112.1Y252 K253 T265Y252-T267 CarbonylContact O-C 3.54Å; Y252-T267 VanDerWaalsContact O-CA 3.31Å; Y252-T267 WeakPolarHBondContact O-CA 3.36Å; K253-T267 HydrophobicContact CG-CG2 4.02Å; T265-T267 HydrophobicContact CG2-CG2 4.35Å
268A95.5Very high88.6Confident2 Ų247.8 Ų47.82%0.01732%0.317CS..EExtended strand (participates in β ladder)trans-146.1155.6171.100000109.7P191 F204 Y252P191-A268 HydrophobicContact CB-CB 3.72Å; P191-A268 HydrophobicContact CG-CB 3.97Å; F204-A268 HydrophobicContact CD1-CB 3.73Å; F204-A268 HydrophobicContact CE1-CB 3.7Å; Y252-A268 PolarHBondContact N-O 3.46Å; Y252-A268 PolarHBondContact O-N 2.87Å
269S94.6Very high88.7Confident29 Ų2950 Ų5020%0.20333%0.33CS..EExtended strand (participates in β ladder)trans-111.7143.1178.560.90000111.9N193 Q194 G250N193-S269 WeakPolarHBondContact CA-O 3.41Å; N193-S269 PolarHBondContact OD1-N 2.56Å; N193-S269 PolarHBondContact OD1-OG 3.21Å; Q194-S269 PolarHBondContact N-O 3.23Å; G250-S269 WeakPolarHBondContact O-CA 3.33Å
270L94.8Very high89.2Confident0 Ų050.3 Ų50.30%034%0.339CS..EExtended strand (participates in β ladder)trans-108.3124.2167.5-170.851.3000109.5Q194 V196 A202 F204 I241 V244 Y248 T249 G250 Y252Q194-L270 HydrophobicContact CB-CD1 3.91Å; V196-L270 HydrophobicContact CG1-CD1 4.39Å; V196-L270 HydrophobicContact CG2-CD1 3.9Å; A202-L270 HydrophobicContact CB-CD1 3.65Å; A202-L270 HydrophobicContact CB-CD2 3.89Å; A202-L270 HydrophobicContact CB-CG 4.48Å; F204-L270 HydrophobicContact CE2-CB 4.17Å; F204-L270 HydrophobicContact CE2-CD2 4.29Å; F204-L270 HydrophobicContact CZ-CB 3.77Å; F204-L270 HydrophobicContact CZ-CD1 4.21Å; F204-L270 HydrophobicContact CZ-CG 4.4Å; I241-L270 HydrophobicContact CD1-CD2 3.62Å; V244-L270 HydrophobicContact CG1-CD2 4Å; V244-L270 HydrophobicContact CG1-CG 4.36Å; V244-L270 HydrophobicContact CG2-CD2 3.87Å; Y248-L270 WeakPolarHBondContact O-CD2 3.26Å; T249-L270 CarbonylContact C-O 3.46Å; T249-L270 VanDerWaalsContact CA-O 3.24Å; T249-L270 WeakPolarHBondContact CA-O 3.26Å; T249-L270 VanDerWaalsContact CB-O 3.27Å; T249-L270 WeakPolarHBondContact CB-O 3.25Å; G250-L270 PolarHBondContact N-O 2.87Å; G250-L270 PolarHBondContact O-N 3.1Å; Y252-L270 HydrophobicContact CD2-CB 4.07Å; Y252-L270 HydrophobicContact CE2-CB 3.63Å; Y252-L270 HydrophobicContact CE2-CD2 4.15Å
271Q93.7Very high90.1Very high68 Ų6854 Ų5432%0.31833%0.332SS..EExtended strand (participates in β ladder)trans-125.2151.4173.8-62.6-176.6-14.100110.3Q194 V195 V196Q194-Q271 PolarHBondContact O-N 2.74Å; V195-Q271 WeakPolarHBondContact CA-O 3.39Å; V195-Q271 HydrophobicContact CG2-CB 4.43Å; V196-Q271 PolarHBondContact N-O 2.89Å; V196-Q271 VanDerWaalsContact N-O 3.08Å
272I93.9Very high90.9Very high43 Ų4353.5 Ų53.522%0.22131%0.314CS..EExtended strand (participates in β ladder)trans-89.5133.7171.5-68.7167000107.9V196 V244 P246 T249 D274V196-I272 CarbonylContact O-C 3.38Å; V196-I272 VanDerWaalsContact O-CA 3.29Å; V196-I272 WeakPolarHBondContact O-CA 3.21Å; V244-I272 HydrophobicContact CG1-CD1 4.38Å; V244-I272 HydrophobicContact CG1-CG1 3.97Å; P246-I272 HydrophobicContact CB-CD1 4.43Å; P246-I272 HydrophobicContact CG-CD1 4.06Å; T249-I272 HydrophobicContact CG2-CB 4.4Å; T249-I272 HydrophobicContact CG2-CD1 3.78Å; T249-I272 HydrophobicContact CG2-CG1 3.63Å; I272-D274 PolarHBondContact O-N 2.82Å
273A93.2Very high91.5Very high10 Ų1056.2 Ų56.28%0.08333%0.333CS..  trans-61.3132.5176.900000110.8V195 V196 L197 R302 K349 A350V195-A273 HydrophobicContact CG1-CB 3.87Å; V196-A273 PolarHBondContact O-N 2.84Å; L197-A273 HydrophobicContact CD2-CB 4.19Å; A273-R302 WeakPolarHBondContact CA-O 3.34Å; A273-R302 WeakPolarHBondContact CB-O 3.18Å; A273-K349 HydrophobicContact CB-CB 4.15Å; A273-K349 HydrophobicContact CB-CG 4.37Å; A273-A350 HydrophobicContact CB-CB 3.97Å
274D92.1Very high91.7Very high83 Ų8357.7 Ų57.744%0.44433%0.331SS..EExtended strand (participates in β ladder)trans-138.4157177.868.2-5.5000111.9I272 G301 R302 N348 A350I272-D274 PolarHBondContact O-N 2.82Å; D274-G301 CarbonylContact O-C 3.6Å; D274-G301 WeakPolarHBondContact O-CA 3.35Å; D274-R302 PolarHBondContact N-O 3.02Å; D274-R302 PolarHBondContact O-N 2.82Å; D274-R302 WeakPolarHBondContact OD1-CB 3.47Å; D274-R302 WeakPolarHBondContact OD1-CG 3.45Å; D274-R302 PolarHBondContact OD1-N 2.84Å; D274-N348 PolarHBondContact O-ND2 3.22Å; D274-A350 VanDerWaalsContact C-CB 3.42Å
275I93.8Very high91.7Very high14 Ų1459.4 Ų59.47%0.07234%0.342CS..EExtended strand (participates in β ladder)trans-148.2125.9171.1-167.8171.5000109P299 P305 A350 R353I275-P299 HydrophobicContact CD1-CG 4.17Å; I275-P299 HydrophobicContact CG1-CG 3.85Å; I275-P305 HydrophobicContact CD1-CB 4.08Å; I275-A350 HydrophobicContact CB-CB 4.2Å; I275-A350 HydrophobicContact CG2-CB 3.97Å; I275-R353 HydrophobicContact CD1-CB 4.29Å; I275-R353 HydrophobicContact CD1-CG 3.81Å; I275-R353 HydrophobicContact CG1-CG 3.93Å; I275-R353 HydrophobicContact CG2-CG 4.01Å; I275-R353 PolarHBondContact O-NH2 3.4Å
276G92.2Very high91.6Very high27 Ų2756.9 Ų56.928%0.27833%0.325SS..  trans-64.8-179.2179.700000113.1T300 R353G276-T300 PolarHBondContact N-O 3.13Å; G276-R353 WeakPolarHBondContact O-CD 3.32Å; G276-R353 WeakPolarHBondContact O-CG 3.27Å; G276-R353 PolarHBondContact O-NE 3Å; G276-R353 VanDerWaalsContact O-NE 3.16Å
277S89.8Confident91.4Very high105 Ų10556.9 Ų56.973%0.73433%0.329SS*.PPolyproline II helixtrans-84.8140.4171.752.40000110.6
278M89.4Confident91.1Very high24 Ų2455 Ų5512%0.11832%0.317CS..PPolyproline II helixtrans-76.6158165.3-74.9-171.48500111C296 P299 C344 A346 R353 T354 Q355M278-C296 VanDerWaalsContact CE-SG 3.58Å; M278-P299 HydrophobicContact CG-CB 4.31Å; M278-P299 HydrophobicContact CG-CG 3.83Å; M278-C344 HydrophobicContact CE-CB 4.16Å; M278-A346 HydrophobicContact SD-CB 4.05Å; M278-R353 HydrophobicContact CG-CB 3.91Å; M278-R353 HydrophobicContact SD-CB 4.09Å; M278-T354 VanDerWaalsContact SD-C 3.55Å; M278-Q355 HydrophobicContact CB-CB 4.2Å; M278-Q355 HydrophobicContact CE-CB 3.59Å; M278-Q355 HydrophobicContact SD-CB 4.08Å
279S85.6Confident90.7Very high60 Ų6059.4 Ų59.442%0.4234%0.34SS..PPolyproline II helixtrans-64.1156174.960.80000111.5Q355S279-Q355 WeakPolarHBondContact O-CG 3.28Å; S279-Q355 PolarHBondContact OG-NE2 2.74Å; S279-Q355 PolarHBondContact OG-OE1 3.38Å
280P86.4Confident90.5Very high112 Ų11259.8 Ų59.873%0.72734%0.342SS*.PPolyproline II helixtrans-64.1173.3-17625.4-34.7000113M282 Q355P280-M282 PolarHBondContact O-N 3.41Å; P280-Q355 PolarHBondContact O-NE2 3.42Å
281K86.3Confident90.5Very high160 Ų16064.4 Ų64.470%0.69637%0.365SS*.PPolyproline II helixtrans-52.1135.2178.6-56-161.2-175.7-141.90110.9D356K281-D356 VanDerWaalsContact CA-O 3.28Å; K281-D356 WeakPolarHBondContact CA-O 3.47Å; K281-D356 HydrophobicContact CD-CB 4.05Å; K281-D356 VanDerWaalsContact CE-OD2 3.28Å; K281-D356 WeakPolarHBondContact CE-OD2 3.49Å; K281-D356 HydrophobicContact CG-CB 4.06Å; K281-D356 IonicContact NZ-OD2 3.16Å; K281-D356 PolarHBondContact NZ-OD2 2.82Å
282M88.1Confident90.5Very high50 Ų5063.7 Ų63.725%0.24636%0.361CS..EExtended strand (participates in β ladder)trans-116151.5179.7-17917259.300109.9P280 R284 V294 D356 V357 T358P280-M282 PolarHBondContact O-N 3.41Å; M282-R284 HydrophobicContact CE-CG 4.49Å; M282-R284 HydrophobicContact CG-CG 4.32Å; M282-R284 HydrophobicContact SD-CG 4.33Å; M282-V294 HydrophobicContact CE-CG1 4.28Å; M282-D356 PolarHBondContact N-O 2.94Å; M282-V357 HydrophobicContact CB-CG1 4.3Å; M282-V357 HydrophobicContact CB-CG2 4.35Å; M282-V357 HydrophobicContact CE-CB 4.44Å; M282-V357 HydrophobicContact CE-CG1 3.69Å; M282-V357 HydrophobicContact CE-CG2 3.84Å; M282-V357 HydrophobicContact CG-CG1 4.44Å; M282-V357 CarbonylContact O-C 3.39Å; M282-V357 VanDerWaalsContact O-CA 3.27Å; M282-V357 WeakPolarHBondContact O-CA 3.46Å; M282-T358 PolarHBondContact O-N 2.94Å
283S91.4Very high90.6Very high94 Ų9467.8 Ų67.866%0.65737%0.374SS*.EExtended strand (participates in β ladder)trans-125.3139.2169.6-58.40000109.5T358S283-T358 CarbonylContact C-O 3.59Å; S283-T358 VanDerWaalsContact CA-O 3.3Å; S283-T358 WeakPolarHBondContact CA-O 2.96Å
284R90.8Very high90.7Very high98 Ų9867.3 Ų67.337%0.3737%0.37SS..EExtended strand (participates in β ladder)trans-134.4142.7174.5-67.2-156.5177.7-155.43111.2M282 F286 T358 F359 T360M282-R284 HydrophobicContact CE-CG 4.49Å; M282-R284 HydrophobicContact CG-CG 4.32Å; M282-R284 HydrophobicContact SD-CG 4.33Å; R284-F286 HydrophobicContact CB-CE1 3.98Å; R284-F286 HydrophobicContact CB-CZ 4.07Å; R284-T358 PolarHBondContact N-O 3.27Å; R284-F359 HydrophobicContact CB-CD1 3.9Å; R284-F359 HydrophobicContact CB-CE1 4.13Å; R284-F359 CarbonylContact O-C 3.56Å; R284-F359 WeakPolarHBondContact O-CA 3.35Å; R284-T360 PolarHBondContact O-N 2.83Å
285V90.6Very high90.8Very high71 Ų7165.4 Ų65.443%0.4336%0.361SS..EExtended strand (participates in β ladder)trans-113.1127.8177.9-173.50000108.6T360 A362 V440V285-T360 CarbonylContact C-O 3.58Å; V285-T360 VanDerWaalsContact CA-O 3.27Å; V285-T360 WeakPolarHBondContact CA-O 3.32Å; V285-A362 HydrophobicContact CG1-CB 3.77Å; V285-V440 HydrophobicContact CG1-CB 4.07Å; V285-V440 HydrophobicContact CG1-CG1 4.09Å; V285-V440 HydrophobicContact CG1-CG2 4.15Å
286F91.5Very high90.8Very high9 Ų964.8 Ų64.84%0.03936%0.358CS..EExtended strand (participates in β ladder)trans-113.2153.9175.7-54.7-40.4000109.8R284 Q292 V294 F331 T334 F359 T360 V361 A362R284-F286 HydrophobicContact CB-CE1 3.98Å; R284-F286 HydrophobicContact CB-CZ 4.07Å; F286-Q292 HydrophobicContact CB-CG 3.96Å; F286-Q292 HydrophobicContact CD1-CB 4.18Å; F286-Q292 HydrophobicContact CD1-CG 3.64Å; F286-Q292 HydrophobicContact CD2-CB 4.34Å; F286-Q292 HydrophobicContact CD2-CG 4.08Å; F286-Q292 HydrophobicContact CE1-CB 4.18Å; F286-Q292 HydrophobicContact CE1-CG 4.14Å; F286-Q292 HydrophobicContact CE2-CB 4.32Å; F286-Q292 HydrophobicContact CG-CB 4.29Å; F286-Q292 HydrophobicContact CG-CG 3.63Å; F286-Q292 HydrophobicContact CZ-CB 4.26Å; F286-V294 HydrophobicContact CE1-CG2 4.28Å; F286-V294 HydrophobicContact CE2-CG2 4.43Å; F286-V294 HydrophobicContact CZ-CG2 3.55Å; F286-F331 HydrophobicContact CE2-CD2 4.1Å; F286-F331 AromaticContact CE2-CE2 3.83Å; F286-F331 HydrophobicContact CE2-CE2 3.83Å; F286-F331 HydrophobicContact CE2-CZ 4.33Å; F286-T334 HydrophobicContact CB-CG2 4.03Å; F286-T334 HydrophobicContact CD2-CG2 4.06Å; F286-T334 HydrophobicContact CG-CG2 4.32Å; F286-F359 HydrophobicContact CD2-CB 4.48Å; F286-F359 HydrophobicContact CD2-CD1 4.38Å; F286-F359 HydrophobicContact CE2-CB 4.05Å; F286-F359 AromaticContact CE2-CD1 3.31Å; F286-F359 HydrophobicContact CE2-CD1 3.31Å; F286-F359 AromaticContact CE2-CE1 3.92Å; F286-F359 HydrophobicContact CE2-CE1 3.92Å; F286-F359 AromaticContact CE2-CG 3.75Å; F286-F359 HydrophobicContact CE2-CG 3.75Å; F286-F359 AromaticContact CZ-CD1 3.38Å; F286-F359 HydrophobicContact CZ-CD1 3.38Å; F286-F359 AromaticContact CZ-CE1 3.63Å; F286-F359 HydrophobicContact CZ-CE1 3.63Å; F286-F359 HydrophobicContact CZ-CG 4.28Å; F286-T360 PolarHBondContact N-O 2.81Å; F286-V361 HydrophobicContact CD2-CG2 4.5Å; F286-V361 CarbonylContact O-C 3.58Å; F286-A362 WeakPolarHBondContact O-CA 3.48Å; F286-A362 WeakPolarHBondContact O-CB 3.25Å; F286-A362 PolarHBondContact O-N 2.88Å
287T90.3Very high90.8Very high51 Ų5170.9 Ų70.931%0.31337%0.374SS..EExtended strand (participates in β ladder)trans-86.7147167.352.90000109.5T290 T334T287-T290 PolarHBondContact O-OG1 2.8Å; T287-T290 WeakPolarHBondContact OG1-CG2 3.26Å; T287-T334 PolarHBondContact O-OG1 3.36Å
288T89.1Confident90.7Very high45 Ų4568.3 Ų68.328%0.27636%0.355SS..THydrogen-bonded Turntrans-56151.9173.556.40000111.4T290 V361 A362 T363T288-T290 VanDerWaalsContact C-N 3.3Å; T288-T290 PolarHBondContact O-N 3.09Å; T288-V361 HydrophobicContact CG2-CG1 3.73Å; T288-A362 WeakPolarHBondContact CG2-O 3.28Å; T288-A362 PolarHBondContact N-O 2.84Å; T288-A362 VanDerWaalsContact N-O 3.1Å; T288-T363 HydrophobicContact CG2-CG2 3.8Å
289D88.3Confident90.9Very high94 Ų9467.9 Ų67.950%0.50335%0.353SS..THydrogen-bonded Turntrans61.235.4174.8-159.27.9000114R333 T334D289-R333 VanDerWaalsContact CG-NE 3.34Å; D289-R333 WeakPolarHBondContact OD1-CD 3.38Å; D289-R333 WeakPolarHBondContact OD1-CG 3.37Å; D289-R333 IonicContact OD1-CZ 3.65Å; D289-R333 VanDerWaalsContact OD1-CZ 3.28Å; D289-R333 IonicContact OD1-NE 2.68Å; D289-R333 PolarHBondContact OD1-NE 2.91Å; D289-R333 IonicContact OD1-NH2 3.23Å; D289-R333 PolarHBondContact OD1-NH2 2.81Å; D289-R333 IonicContact OD2-CZ 3.48Å; D289-R333 IonicContact OD2-NE 3.33Å; D289-R333 IonicContact OD2-NH2 3.03Å; D289-R333 PolarHBondContact OD2-NH2 3.1Å; D289-T334 PolarHBondContact N-O 2.65Å; D289-T334 PolarHBondContact N-OG1 3.15Å
290T89.9Confident91.2Very high38 Ų3871 Ų7123%0.23337%0.37CS..  trans-123.5150.9174.660.90000111.6T287 T288 Q292 T334T287-T290 PolarHBondContact O-OG1 2.8Å; T287-T290 WeakPolarHBondContact OG1-CG2 3.26Å; T288-T290 VanDerWaalsContact C-N 3.3Å; T288-T290 PolarHBondContact O-N 3.09Å; T290-Q292 PolarHBondContact OG1-NE2 2.66Å; T290-T334 PolarHBondContact N-OG1 3.04Å; T290-T334 WeakPolarHBondContact O-CG2 3.27Å; T290-T334 PolarHBondContact O-N 3.24Å; T290-T334 PolarHBondContact O-OG1 2.86Å; T290-T334 PolarHBondContact OG1-OG1 3.4Å
291M93.4Very high91.5Very high97 Ų9766 Ų6648%0.47834%0.339SS..  trans-80.2129.5168.6-172.8-165.1-176.900108.8V330 F331 N332M291-V330 HydrophobicContact CE-CG1 3.96Å; M291-F331 CarbonylContact C-O 3.5Å; M291-F331 VanDerWaalsContact CA-O 3.26Å; M291-F331 WeakPolarHBondContact CA-O 3.49Å; M291-N332 WeakPolarHBondContact CA-O 3.12Å
292Q95Very high91.7Very high53 Ų5364.8 Ų64.825%0.24833%0.33CS..EExtended strand (participates in β ladder)trans-129.5146.6-179.9-61.3-65.7-24.300111.1F286 T290 V330 F331 T334F286-Q292 HydrophobicContact CB-CG 3.96Å; F286-Q292 HydrophobicContact CD1-CB 4.18Å; F286-Q292 HydrophobicContact CD1-CG 3.64Å; F286-Q292 HydrophobicContact CD2-CB 4.34Å; F286-Q292 HydrophobicContact CD2-CG 4.08Å; F286-Q292 HydrophobicContact CE1-CB 4.18Å; F286-Q292 HydrophobicContact CE1-CG 4.14Å; F286-Q292 HydrophobicContact CE2-CB 4.32Å; F286-Q292 HydrophobicContact CG-CB 4.29Å; F286-Q292 HydrophobicContact CG-CG 3.63Å; F286-Q292 HydrophobicContact CZ-CB 4.26Å; T290-Q292 PolarHBondContact OG1-NE2 2.66Å; Q292-V330 WeakPolarHBondContact O-CA 3.05Å; Q292-F331 HydrophobicContact CB-CB 4.18Å; Q292-F331 HydrophobicContact CB-CD2 4.14Å; Q292-F331 PolarHBondContact N-O 3.39Å; Q292-F331 PolarHBondContact O-N 2.63Å; Q292-T334 HydrophobicContact CB-CG2 4.27Å; Q292-T334 HydrophobicContact CG-CG2 3.69Å
293R95.8Very high91.8Very high129 Ų12965.3 Ų65.349%0.48734%0.337SS..EExtended strand (participates in β ladder)trans-135.2125.9178.5-165.2173.4-52.8-167.5-6.6110.1D328 L329 V330R293-D328 WeakPolarHBondContact CD-OD2 3.39Å; R293-D328 HydrophobicContact CG-CB 3.61Å; R293-L329 WeakPolarHBondContact CA-O 3.3Å; R293-V330 HydrophobicContact CG-CG2 4.24Å
294V94.9Very high91.9Very high0 Ų067.8 Ų67.80%034%0.343CS..EExtended strand (participates in β ladder)trans-127106.3-176.7-1710000109.8M282 F286 W309 D328 L329 F359M282-V294 HydrophobicContact CE-CG1 4.28Å; F286-V294 HydrophobicContact CE1-CG2 4.28Å; F286-V294 HydrophobicContact CE2-CG2 4.43Å; F286-V294 HydrophobicContact CZ-CG2 3.55Å; V294-W309 HydrophobicContact CG1-CH2 4.09Å; V294-W309 HydrophobicContact CG1-CZ2 4.22Å; V294-W309 WeakPolarHBondContact O-CZ2 3.27Å; V294-D328 WeakPolarHBondContact O-CA 3.48Å; V294-L329 HydrophobicContact CB-CB 4.45Å; V294-L329 PolarHBondContact N-O 3.02Å; V294-L329 PolarHBondContact O-N 2.87Å; V294-F359 HydrophobicContact CB-CE1 4.31Å; V294-F359 HydrophobicContact CB-CZ 4.18Å; V294-F359 HydrophobicContact CG1-CE1 4.05Å; V294-F359 HydrophobicContact CG1-CZ 4Å; V294-F359 HydrophobicContact CG2-CE1 3.7Å; V294-F359 HydrophobicContact CG2-CZ 3.94Å
295T94.8Very high92.1Very high42 Ų4264.1 Ų64.126%0.25833%0.332SS..EExtended strand (participates in β ladder)trans-73.6130.7176.8-46.60000111.3Y297 L327 D328T295-Y297 HydrophobicContact CG2-CD1 4.34Å; T295-Y297 HydrophobicContact CG2-CE1 3.95Å; T295-L327 HydrophobicContact CG2-CB 4.26Å; T295-D328 WeakPolarHBondContact CA-OD1 3.5Å; T295-D328 WeakPolarHBondContact CB-OD1 3.46Å; T295-D328 VanDerWaalsContact CG2-OD1 3.27Å; T295-D328 WeakPolarHBondContact CG2-OD1 3.46Å; T295-D328 PolarHBondContact N-OD1 3.32Å; T295-D328 PolarHBondContact OG1-OD1 3.48Å
296C93.2Very high92.3Very high1 Ų166.1 Ų66.11%0.00734%0.337CS..  trans-84.6128.9162.4-177.80000110.6M278 P298 V307 W309 L327 C344M278-C296 VanDerWaalsContact CE-SG 3.58Å; C296-P298 WeakPolarHBondContact O-CD 3.22Å; C296-V307 HydrophobicContact CB-CG1 4.17Å; C296-W309 HydrophobicContact CB-CZ2 3.68Å; C296-L327 PolarHBondContact N-O 2.82Å; C296-C344 HydrophobicContact CB-CB 3.71Å; C296-C344 WeakPolarHBondContact CB-SG 3.38Å; C296-C344 WeakPolarHBondContact SG-CB 3.26Å; C296-C344 CovalentContact SG-SG 1.98Å; C296-C344 PolarHBondContact SG-SG 2.88Å
297Y91.2Very high92.5Very high156 Ų15666.7 Ų66.761%0.61234%0.341SS*.  trans-98.1101174.3-60.7-74.7000109.3T295T295-Y297 HydrophobicContact CG2-CD1 4.34Å; T295-Y297 HydrophobicContact CG2-CE1 3.95Å
298P89.5Confident92.8Very high51 Ų5165 Ų6533%0.33133%0.328SS..PPolyproline II helixtrans-66.9152.4-179.726.9-34.3000112.2C296 P305 V307 A346C296-P298 WeakPolarHBondContact O-CD 3.22Å; P298-P305 HydrophobicContact CB-CG 4.3Å; P298-V307 HydrophobicContact CB-CG2 3.52Å; P298-V307 HydrophobicContact CG-CG2 3.89Å; P298-A346 HydrophobicContact CB-CB 4.35Å
299P92.7Very high93.2Very high14 Ų1462.9 Ų62.99%0.09132%0.316CS..PPolyproline II helixtrans-70158.2170.833.5-31.7000109.8I275 M278 A346 R353I275-P299 HydrophobicContact CD1-CG 4.17Å; I275-P299 HydrophobicContact CG1-CG 3.85Å; M278-P299 HydrophobicContact CG-CB 4.31Å; M278-P299 HydrophobicContact CG-CG 3.83Å; P299-A346 VanDerWaalsContact CD-CB 3.44Å; P299-A346 HydrophobicContact CG-CB 4.05Å; P299-R353 HydrophobicContact CG-CB 4.41Å
300T93Very high93.6Very high126 Ų12659.5 Ų59.577%0.77330%0.297SS*.PPolyproline II helixtrans-65.3143.7167.5530000110G276G276-T300 PolarHBondContact N-O 3.13Å
301G91.6Very high93.8Very high7 Ų761.2 Ų61.27%0.07230%0.299CS..EExtended strand (participates in β ladder)trans-166.1159.6176.200000112.1D274 P303D274-G301 CarbonylContact O-C 3.6Å; D274-G301 WeakPolarHBondContact O-CA 3.35Å; G301-P303 CarbonylContact C-O 3.52Å; G301-P303 VanDerWaalsContact C-O 3.26Å; G301-P303 CarbonylContact O-C 3.57Å
302R89.8Confident93.6Very high134 Ų13464.4 Ų64.451%0.50631%0.313SS..EExtended strand (participates in β ladder)trans-126.1121.6176.5-60.5-178.7-178.6-90.4-6.2110.2A273 D274 N348A273-R302 WeakPolarHBondContact CA-O 3.34Å; A273-R302 WeakPolarHBondContact CB-O 3.18Å; D274-R302 PolarHBondContact N-O 3.02Å; D274-R302 PolarHBondContact O-N 2.82Å; D274-R302 WeakPolarHBondContact OD1-CB 3.47Å; D274-R302 WeakPolarHBondContact OD1-CG 3.45Å; D274-R302 PolarHBondContact OD1-N 2.84Å; R302-N348 PolarHBondContact N-ND2 3.33Å
303P91.4Very high93.3Very high61 Ų6164.7 Ų64.740%0.39633%0.33SS..SBendcis-59.8167.6-11.7-19.534.3000112.3V195 G301 N348V195-P303 HydrophobicContact CB-CG 4.24Å; V195-P303 HydrophobicContact CG1-CG 4.31Å; G301-P303 CarbonylContact C-O 3.52Å; G301-P303 VanDerWaalsContact C-O 3.26Å; G301-P303 CarbonylContact O-C 3.57Å; P303-N348 VanDerWaalsContact O-CB 3.31Å; P303-N348 WeakPolarHBondContact O-CB 3.2Å; P303-N348 PolarHBondContact O-ND2 2.91Å
304D92.8Very high93.2Very high146 Ų14665.4 Ų65.478%0.78134%0.339SS*.PPolyproline II helixtrans-54.4132.9177.4-66.7-33.5000110.2
305P95.2Very high93.3Very high21 Ų2172.1 Ų72.114%0.13636%0.364CS..PPolyproline II helixtrans-73.6140.6-176.328.9-33.6000112.7I275 P298 A346 Q347 N348I275-P305 HydrophobicContact CD1-CB 4.08Å; P298-P305 HydrophobicContact CB-CG 4.3Å; P305-A346 HydrophobicContact CB-CB 4.16Å; P305-A346 HydrophobicContact CG-CB 4.46Å; P305-Q347 CarbonylContact C-O 3.52Å; P305-Q347 WeakPolarHBondContact CA-O 3.43Å; P305-N348 HydrophobicContact CB-CB 4.16Å
306E95.3Very high93.3Very high114 Ų11470.9 Ų70.953%0.53336%0.356SS..EExtended strand (participates in β ladder)trans-71.2137.7163.9-173.1-169.6155.900108.6W308 R315 A346 Q347E306-W308 HydrophobicContact CB-CZ3 4.26Å; E306-W308 HydrophobicContact CG-CE3 4.12Å; E306-W308 HydrophobicContact CG-CZ3 4.26Å; E306-R315 IonicContact OE1-CZ 2.72Å; E306-R315 IonicContact OE1-NH1 3.71Å; E306-R315 PolarHBondContact OE1-NH1 2.87Å; E306-R315 IonicContact OE1-NH2 3.03Å; E306-R315 PolarHBondContact OE1-NH2 3.49Å; E306-A346 CarbonylContact O-C 3.5Å; E306-A346 WeakPolarHBondContact O-CA 3.34Å; E306-Q347 PolarHBondContact N-O 2.98Å; E306-Q347 PolarHBondContact O-N 3.4Å
307V95.8Very high93.4Very high20 Ų2074.2 Ų74.212%0.12138%0.378CS..EExtended strand (participates in β ladder)trans-124.6131.4-173.5-170.10000110.6C296 P298 Q324 L327 C344 V345 A346C296-V307 HydrophobicContact CB-CG1 4.17Å; P298-V307 HydrophobicContact CB-CG2 3.52Å; P298-V307 HydrophobicContact CG-CG2 3.89Å; V307-Q324 PolarHBondContact O-NE2 3.25Å; V307-L327 HydrophobicContact CB-CD2 3.68Å; V307-L327 HydrophobicContact CG1-CD2 3.94Å; V307-L327 HydrophobicContact CG2-CD2 3.94Å; V307-C344 VanDerWaalsContact CG1-SG 3.59Å; V307-V345 CarbonylContact C-O 3.55Å; V307-V345 VanDerWaalsContact CA-O 3.27Å; V307-V345 WeakPolarHBondContact CA-O 3.16Å; V307-A346 HydrophobicContact CG2-CB 4.43Å
308W96.9Very high93.6Very high15 Ų1572.4 Ų72.46%0.05738%0.383CS..EExtended strand (participates in β ladder)trans-149.9162.1174.267.893000112.6E306 E310 R315 V345 Q347E306-W308 HydrophobicContact CB-CZ3 4.26Å; E306-W308 HydrophobicContact CG-CE3 4.12Å; E306-W308 HydrophobicContact CG-CZ3 4.26Å; W308-E310 PolarHBondContact NE1-OE1 2.88Å; W308-R315 HydrophobicContact CG-CG 4.38Å; W308-V345 HydrophobicContact CD2-CB 3.97Å; W308-V345 HydrophobicContact CD2-CG1 4.25Å; W308-V345 HydrophobicContact CG-CB 4.39Å; W308-V345 HydrophobicContact CH2-CB 4.42Å; W308-V345 HydrophobicContact CH2-CG1 3.65Å; W308-V345 HydrophobicContact CZ2-CB 3.88Å; W308-V345 HydrophobicContact CZ2-CG1 3.31Å; W308-V345 HydrophobicContact CZ3-CG1 4.24Å; W308-V345 PolarHBondContact N-O 2.76Å; W308-V345 PolarHBondContact O-N 3.48Å; W308-Q347 HydrophobicContact CH2-CB 3.55Å; W308-Q347 HydrophobicContact CH2-CG 4.38Å; W308-Q347 HydrophobicContact CZ3-CB 3.73Å
309W97.1Very high93.6Very high2 Ų277.3 Ų77.31%0.00840%0.402CS..EExtended strand (participates in β ladder)trans-97140.7173.7-72.491.9000111.2V294 C296 R315 V316 L327 L329 F342 T343 C344 V357 F359V294-W309 HydrophobicContact CG1-CH2 4.09Å; V294-W309 HydrophobicContact CG1-CZ2 4.22Å; V294-W309 WeakPolarHBondContact O-CZ2 3.27Å; C296-W309 HydrophobicContact CB-CZ2 3.68Å; W309-R315 WeakPolarHBondContact O-CA 3.21Å; W309-V316 HydrophobicContact CB-CB 4.12Å; W309-V316 HydrophobicContact CB-CG2 3.82Å; W309-V316 PolarHBondContact O-N 2.8Å; W309-L327 PolarHBondContact NE1-O 3.09Å; W309-L327 VanDerWaalsContact NE1-O 3.11Å; W309-L329 HydrophobicContact CB-CD1 4.27Å; W309-L329 HydrophobicContact CD2-CB 3.8Å; W309-L329 HydrophobicContact CD2-CD2 4.17Å; W309-L329 HydrophobicContact CD2-CG 4.45Å; W309-L329 HydrophobicContact CE3-CB 4.43Å; W309-L329 HydrophobicContact CE3-CD2 4.02Å; W309-L329 HydrophobicContact CG-CB 3.96Å; W309-L329 HydrophobicContact CG-CD1 4.29Å; W309-L329 HydrophobicContact CZ2-CB 4.1Å; W309-L329 HydrophobicContact CZ3-CD2 4.34Å; W309-F342 HydrophobicContact CE3-CB 4.01Å; W309-F342 HydrophobicContact CZ3-CB 4.11Å; W309-T343 CarbonylContact C-O 3.58Å; W309-C344 HydrophobicContact CD2-CB 4.14Å; W309-C344 HydrophobicContact CE3-CB 4.01Å; W309-C344 HydrophobicContact CH2-CB 4.07Å; W309-C344 HydrophobicContact CZ2-CB 4.17Å; W309-C344 HydrophobicContact CZ3-CB 3.98Å; W309-V357 HydrophobicContact CH2-CB 4.35Å; W309-V357 HydrophobicContact CH2-CG2 3.82Å; W309-V357 HydrophobicContact CZ3-CB 4.08Å; W309-V357 HydrophobicContact CZ3-CG2 3.82Å; W309-F359 HydrophobicContact CH2-CZ 4.37Å; W309-F359 HydrophobicContact CZ3-CE2 4.5Å; W309-F359 HydrophobicContact CZ3-CZ 4.32Å
310E96.3Very high93.6Very high23 Ų2379.3 Ų79.311%0.10743%0.425CS..EExtended strand (participates in β ladder)trans-119.6144.2170.9-70.4177.8-171.800110.9W308 H314 F342 T343 V345 R352W308-E310 PolarHBondContact NE1-OE1 2.88Å; E310-H314 CarbonylContact C-O 3.53Å; E310-H314 WeakPolarHBondContact CA-O 3.49Å; E310-F342 CarbonylContact O-C 3.59Å; E310-F342 WeakPolarHBondContact O-CA 3.24Å; E310-T343 PolarHBondContact N-O 2.88Å; E310-T343 PolarHBondContact O-N 3.3Å; E310-V345 HydrophobicContact CB-CG2 4.45Å; E310-V345 HydrophobicContact CG-CG2 3.95Å; E310-R352 IonicContact OE1-CZ 2.81Å; E310-R352 IonicContact OE1-NH2 3.99Å; E310-R352 PolarHBondContact OE1-NH2 2.96Å; E310-R352 IonicContact OE2-CZ 3.62Å; E310-R352 IonicContact OE2-NH2 3.96Å; E310-R352 PolarHBondContact OE2-NH2 3.44Å
311R94.6Very high93.7Very high74 Ų7477.3 Ų77.328%0.27940%0.403SS..EExtended strand (participates in β ladder)trans-125.1126.4166.2-174.6-176177.7161.41.8107.4G313 H314 V316 G337 F342R311-G313 PolarHBondContact O-N 2.86Å; R311-G313 VanDerWaalsContact O-N 3.14Å; R311-H314 PolarHBondContact N-O 2.9Å; R311-H314 PolarHBondContact O-N 2.96Å; R311-V316 HydrophobicContact CB-CG2 4.36Å; R311-G337 PolarHBondContact NH2-O 2.68Å; R311-F342 HydrophobicContact CB-CD1 3.92Å; R311-F342 HydrophobicContact CB-CE1 3.86Å; R311-F342 HydrophobicContact CB-CG 4.49Å; R311-F342 HydrophobicContact CB-CZ 4.38Å; R311-F342 HydrophobicContact CG-CD1 4.32Å; R311-F342 HydrophobicContact CG-CE1 4.05Å; R311-F342 HydrophobicContact CG-CE2 4.28Å; R311-F342 HydrophobicContact CG-CZ 4.06Å
312E89.3Confident93.9Very high163 Ų16378 Ų7876%0.76241%0.406SS*.THydrogen-bonded Turntrans51.837.6-178.2-61.7175.6-17400113.2H314E312-H314 VanDerWaalsContact C-N 3.29Å; E312-H314 PolarHBondContact O-N 3.03Å; E312-H314 PolarHBondContact O-ND1 2.91Å
313G89Confident94.2Very high60 Ų6073.8 Ų73.862%0.61939%0.39SS*.THydrogen-bonded Turntrans77.61.918000000115.9R311R311-G313 PolarHBondContact O-N 2.86Å; R311-G313 VanDerWaalsContact O-N 3.14Å
314H94Very high94.4Very high143 Ų14372.3 Ų72.366%0.66238%0.378SS*.EExtended strand (participates in β ladder)trans-107.7142.1178-61.982.9000110.9E310 R311 E312 V316E310-H314 CarbonylContact C-O 3.53Å; E310-H314 WeakPolarHBondContact CA-O 3.49Å; R311-H314 PolarHBondContact N-O 2.9Å; R311-H314 PolarHBondContact O-N 2.96Å; E312-H314 VanDerWaalsContact C-N 3.29Å; E312-H314 PolarHBondContact O-N 3.03Å; E312-H314 PolarHBondContact O-ND1 2.91Å; H314-V316 PolarHBondContact O-N 3.03Å
315R95.6Very high94.5Very high141 Ų14169.3 Ų69.353%0.53236%0.359SS..EExtended strand (participates in β ladder)trans-62.3132.4176.5-68-163.3172.3-165.6-5.1110.3E306 W308 W309E306-R315 IonicContact OE1-CZ 2.72Å; E306-R315 IonicContact OE1-NH1 3.71Å; E306-R315 PolarHBondContact OE1-NH1 2.87Å; E306-R315 IonicContact OE1-NH2 3.03Å; E306-R315 PolarHBondContact OE1-NH2 3.49Å; W308-R315 HydrophobicContact CG-CG 4.38Å; W309-R315 WeakPolarHBondContact O-CA 3.21Å
316V96.1Very high94.5Very high16 Ų1675 Ų7510%0.09739%0.389CS..PPolyproline II helixtrans-65.9135172.11770000108.5W309 R311 H314 L329 F342W309-V316 HydrophobicContact CB-CB 4.12Å; W309-V316 HydrophobicContact CB-CG2 3.82Å; W309-V316 PolarHBondContact O-N 2.8Å; R311-V316 HydrophobicContact CB-CG2 4.36Å; H314-V316 PolarHBondContact O-N 3.03Å; V316-L329 HydrophobicContact CB-CD1 4.38Å; V316-L329 HydrophobicContact CG1-CD1 3.73Å; V316-L329 HydrophobicContact CG2-CD1 4.16Å; V316-F342 HydrophobicContact CG2-CD1 4.16Å; V316-F342 HydrophobicContact CG2-CE1 4.19Å
317P94.8Very high94.5Very high72 Ų7272.8 Ų72.847%0.46838%0.38SS..PPolyproline II helixtrans-66.9162.4-179.927.9-35.7000112.3E319 Y323 Q324P317-E319 VanDerWaalsContact C-N 3.3Å; P317-E319 WeakPolarHBondContact CG-O 3.46Å; P317-Y323 CarbonylContact O-C 3.26Å; P317-Y323 WeakPolarHBondContact O-CA 3.46Å; P317-Y323 WeakPolarHBondContact O-CB 3.16Å; P317-Q324 PolarHBondContact O-N 2.7Å
318T94.4Very high94.5Very high117 Ų11773.2 Ų73.272%0.71838%0.382SS*.SBendtrans-84.8-3.5175.152.80000113.4Y323T318-Y323 WeakPolarHBondContact O-CD2 3.42Å
319E91.1Very high94.5Very high155 Ų15572.5 Ų72.572%0.72438%0.379SS*.SBendtrans-141.4160.5179.162.2-179.8178.700111P317P317-E319 VanDerWaalsContact C-N 3.3Å; P317-E319 WeakPolarHBondContact CG-O 3.46Å
320G91.8Very high94.5Very high55 Ų5572.4 Ų72.457%0.56738%0.379SS*.SBendtrans116.5-164.4-179.600000113.3Y323G320-Y323 WeakPolarHBondContact O-CD1 3.5Å
321R94.6Very high94.5Very high85 Ų8571.3 Ų71.332%0.32137%0.374SS..SBendtrans-75.9-39.2-178.9-171179.459.963.17.5112.4N332 R333 E335 D338R321-N332 PolarHBondContact O-N 3.44Å; R321-R333 PolarHBondContact NH1-O 2.96Å; R321-E335 IonicContact CZ-OE1 2.74Å; R321-E335 IonicContact CZ-OE2 3.97Å; R321-E335 IonicContact NE-OE1 3.4Å; R321-E335 PolarHBondContact NE-OE1 3Å; R321-E335 IonicContact NE-OE2 3.51Å; R321-E335 IonicContact NH2-OE1 3.76Å; R321-E335 PolarHBondContact NH2-OE1 2.85Å; R321-E335 IonicContact NH2-OE2 2.74Å; R321-D338 IonicContact CZ-OD1 3.78Å; R321-D338 IonicContact CZ-OD2 2.65Å; R321-D338 IonicContact NH1-OD1 3.55Å; R321-D338 PolarHBondContact NH1-OD1 3.46Å; R321-D338 IonicContact NH1-OD2 2.73Å; R321-D338 PolarHBondContact NH1-OD2 2.87Å; R321-D338 IonicContact NH2-OD1 3.28Å; R321-D338 PolarHBondContact NH2-OD1 2.99Å; R321-D338 IonicContact NH2-OD2 2.81Å
322V95.6Very high94.4Very high22 Ų2272.5 Ų72.513%0.13339%0.385CS..EExtended strand (participates in β ladder)trans-118.6112172.1-175.40000107.3L329 V330 F331 D338 F342V322-L329 HydrophobicContact CG1-CD1 3.94Å; V322-V330 VanDerWaalsContact CA-O 3.31Å; V322-V330 WeakPolarHBondContact CA-O 3.39Å; V322-F331 HydrophobicContact CB-CD1 4.29Å; V322-F331 HydrophobicContact CB-CE1 4.43Å; V322-F331 HydrophobicContact CG1-CD1 3.86Å; V322-F331 HydrophobicContact CG1-CE1 3.63Å; V322-F331 HydrophobicContact CG1-CG 4.47Å; V322-F331 HydrophobicContact CG1-CZ 4.12Å; V322-F331 HydrophobicContact CG2-CD1 3.51Å; V322-F331 HydrophobicContact CG2-CE1 3.87Å; V322-F331 HydrophobicContact CG2-CG 4.41Å; V322-D338 WeakPolarHBondContact CG2-OD1 2.95Å; V322-F342 HydrophobicContact CG1-CE1 4.11Å; V322-F342 HydrophobicContact CG1-CZ 4.27Å
323Y96.3Very high94.5Very high45 Ų4571.5 Ų71.518%0.17638%0.375CS..EExtended strand (participates in β ladder)trans-144.8161.7-171.669-80.9000111.5P317 T318 G320 E325 V330P317-Y323 CarbonylContact O-C 3.26Å; P317-Y323 WeakPolarHBondContact O-CA 3.46Å; P317-Y323 WeakPolarHBondContact O-CB 3.16Å; T318-Y323 WeakPolarHBondContact O-CD2 3.42Å; G320-Y323 WeakPolarHBondContact O-CD1 3.5Å; Y323-E325 HydrophobicContact CD2-CB 4.42Å; Y323-E325 HydrophobicContact CE2-CB 3.96Å; Y323-V330 HydrophobicContact CD1-CB 4.15Å; Y323-V330 HydrophobicContact CD1-CG1 4.45Å; Y323-V330 HydrophobicContact CE1-CB 3.76Å; Y323-V330 HydrophobicContact CE1-CG1 3.66Å; Y323-V330 HydrophobicContact CE2-CB 4.18Å; Y323-V330 HydrophobicContact CE2-CG2 4.27Å; Y323-V330 PolarHBondContact N-O 3.19Å; Y323-V330 PolarHBondContact O-N 2.82Å
324Q96.3Very high94.7Very high29 Ų2968.8 Ų68.814%0.13635%0.346CS..EExtended strand (participates in β ladder)trans-96131.1172.9-180177.5-32.700110.6V307 P317 D326 D328V307-Q324 PolarHBondContact O-NE2 3.25Å; P317-Q324 PolarHBondContact O-N 2.7Å; Q324-D326 PolarHBondContact NE2-O 2.89Å; Q324-D328 WeakPolarHBondContact CA-O 3.39Å
325E95.6Very high94.7Very high84 Ų8466.6 Ų66.639%0.39334%0.336SS..EExtended strand (participates in β ladder)trans-124.7112.6170.4-173.5173.5-140.100107.7Y323 L327 D328 V330Y323-E325 HydrophobicContact CD2-CB 4.42Å; Y323-E325 HydrophobicContact CE2-CB 3.96Å; E325-L327 PolarHBondContact O-N 2.83Å; E325-L327 VanDerWaalsContact O-N 3.08Å; E325-D328 PolarHBondContact N-O 2.78Å; E325-D328 WeakPolarHBondContact O-CB 3.45Å; E325-D328 PolarHBondContact O-N 2.71Å; E325-V330 HydrophobicContact CB-CG2 4.03Å
326D93.9Very high94.3Very high140 Ų14065.4 Ų65.475%0.74934%0.336SS*.THydrogen-bonded Turntrans52-110.7-171.2-59.2-39.1000112.9Q324Q324-D326 PolarHBondContact NE2-O 2.89Å
327L95Very high93.9Very high68 Ų6866.9 Ų66.936%0.35636%0.355SS..THydrogen-bonded Turntrans-95.6-7.4177.4-60.2-179.9000113.1T295 C296 V307 W309 E325T295-L327 HydrophobicContact CG2-CB 4.26Å; C296-L327 PolarHBondContact N-O 2.82Å; V307-L327 HydrophobicContact CB-CD2 3.68Å; V307-L327 HydrophobicContact CG1-CD2 3.94Å; V307-L327 HydrophobicContact CG2-CD2 3.94Å; W309-L327 PolarHBondContact NE1-O 3.09Å; W309-L327 VanDerWaalsContact NE1-O 3.11Å; E325-L327 PolarHBondContact O-N 2.83Å; E325-L327 VanDerWaalsContact O-N 3.08Å
328D96.2Very high93.8Very high29 Ų2963.5 Ų63.516%0.15533%0.333CS..EExtended strand (participates in β ladder)trans-95.6131.7-170.6-67.4-24000111.3R293 V294 T295 Q324 E325 V330R293-D328 WeakPolarHBondContact CD-OD2 3.39Å; R293-D328 HydrophobicContact CG-CB 3.61Å; V294-D328 WeakPolarHBondContact O-CA 3.48Å; T295-D328 WeakPolarHBondContact CA-OD1 3.5Å; T295-D328 WeakPolarHBondContact CB-OD1 3.46Å; T295-D328 VanDerWaalsContact CG2-OD1 3.27Å; T295-D328 WeakPolarHBondContact CG2-OD1 3.46Å; T295-D328 PolarHBondContact N-OD1 3.32Å; T295-D328 PolarHBondContact OG1-OD1 3.48Å; Q324-D328 WeakPolarHBondContact CA-O 3.39Å; E325-D328 PolarHBondContact N-O 2.78Å; E325-D328 WeakPolarHBondContact O-CB 3.45Å; E325-D328 PolarHBondContact O-N 2.71Å; D328-V330 HydrophobicContact CB-CG2 4.3Å
329L96.8Very high93.7Very high0 Ų059.6 Ų59.60%031%0.311CS..EExtended strand (participates in β ladder)trans-85.3117.6161.8-178.166.8000108.5R293 V294 W309 V316 V322 F331 F342 F359R293-L329 WeakPolarHBondContact CA-O 3.3Å; V294-L329 HydrophobicContact CB-CB 4.45Å; V294-L329 PolarHBondContact N-O 3.02Å; V294-L329 PolarHBondContact O-N 2.87Å; W309-L329 HydrophobicContact CB-CD1 4.27Å; W309-L329 HydrophobicContact CD2-CB 3.8Å; W309-L329 HydrophobicContact CD2-CD2 4.17Å; W309-L329 HydrophobicContact CD2-CG 4.45Å; W309-L329 HydrophobicContact CE3-CB 4.43Å; W309-L329 HydrophobicContact CE3-CD2 4.02Å; W309-L329 HydrophobicContact CG-CB 3.96Å; W309-L329 HydrophobicContact CG-CD1 4.29Å; W309-L329 HydrophobicContact CZ2-CB 4.1Å; W309-L329 HydrophobicContact CZ3-CD2 4.34Å; V316-L329 HydrophobicContact CB-CD1 4.38Å; V316-L329 HydrophobicContact CG1-CD1 3.73Å; V316-L329 HydrophobicContact CG2-CD1 4.16Å; V322-L329 HydrophobicContact CG1-CD1 3.94Å; L329-F331 HydrophobicContact CD2-CE2 3.65Å; L329-F331 HydrophobicContact CD2-CZ 3.69Å; L329-F331 HydrophobicContact CG-CE2 3.79Å; L329-F331 HydrophobicContact CG-CZ 4.13Å; L329-F342 HydrophobicContact CD1-CD1 4.34Å; L329-F342 HydrophobicContact CD1-CE1 4.24Å; L329-F342 HydrophobicContact CD2-CB 4.34Å; L329-F342 HydrophobicContact CD2-CD1 3.47Å; L329-F342 VanDerWaalsContact CD2-CD1 3.47Å; L329-F342 HydrophobicContact CD2-CE1 3.79Å; L329-F342 HydrophobicContact CD2-CG 3.96Å; L329-F359 HydrophobicContact CD2-CD2 4.36Å; L329-F359 HydrophobicContact CD2-CE2 3.4Å; L329-F359 VanDerWaalsContact CD2-CE2 3.4Å; L329-F359 HydrophobicContact CD2-CZ 3.89Å
330V96.6Very high93.7Very high0 Ų053.5 Ų53.50%029%0.289CS..EExtended strand (participates in β ladder)trans-107.5126.2-176.1-173.10000109.8M291 Q292 R293 V322 Y323 E325 D328M291-V330 HydrophobicContact CE-CG1 3.96Å; Q292-V330 WeakPolarHBondContact O-CA 3.05Å; R293-V330 HydrophobicContact CG-CG2 4.24Å; V322-V330 VanDerWaalsContact CA-O 3.31Å; V322-V330 WeakPolarHBondContact CA-O 3.39Å; Y323-V330 HydrophobicContact CD1-CB 4.15Å; Y323-V330 HydrophobicContact CD1-CG1 4.45Å; Y323-V330 HydrophobicContact CE1-CB 3.76Å; Y323-V330 HydrophobicContact CE1-CG1 3.66Å; Y323-V330 HydrophobicContact CE2-CB 4.18Å; Y323-V330 HydrophobicContact CE2-CG2 4.27Å; Y323-V330 PolarHBondContact N-O 3.19Å; Y323-V330 PolarHBondContact O-N 2.82Å; E325-V330 HydrophobicContact CB-CG2 4.03Å; D328-V330 HydrophobicContact CB-CG2 4.3Å
331F96.4Very high93.8Very high0 Ų053.7 Ų53.70%029%0.286CS..EExtended strand (participates in β ladder)trans-104.8109.8165.5-58.2-100000106.9F286 M291 Q292 V322 L329 R333 T334 D338 F342 F359F286-F331 HydrophobicContact CE2-CD2 4.1Å; F286-F331 AromaticContact CE2-CE2 3.83Å; F286-F331 HydrophobicContact CE2-CE2 3.83Å; F286-F331 HydrophobicContact CE2-CZ 4.33Å; M291-F331 CarbonylContact C-O 3.5Å; M291-F331 VanDerWaalsContact CA-O 3.26Å; M291-F331 WeakPolarHBondContact CA-O 3.49Å; Q292-F331 HydrophobicContact CB-CB 4.18Å; Q292-F331 HydrophobicContact CB-CD2 4.14Å; Q292-F331 PolarHBondContact N-O 3.39Å; Q292-F331 PolarHBondContact O-N 2.63Å; V322-F331 HydrophobicContact CB-CD1 4.29Å; V322-F331 HydrophobicContact CB-CE1 4.43Å; V322-F331 HydrophobicContact CG1-CD1 3.86Å; V322-F331 HydrophobicContact CG1-CE1 3.63Å; V322-F331 HydrophobicContact CG1-CG 4.47Å; V322-F331 HydrophobicContact CG1-CZ 4.12Å; V322-F331 HydrophobicContact CG2-CD1 3.51Å; V322-F331 HydrophobicContact CG2-CE1 3.87Å; V322-F331 HydrophobicContact CG2-CG 4.41Å; L329-F331 HydrophobicContact CD2-CE2 3.65Å; L329-F331 HydrophobicContact CD2-CZ 3.69Å; L329-F331 HydrophobicContact CG-CE2 3.79Å; L329-F331 HydrophobicContact CG-CZ 4.13Å; F331-R333 VanDerWaalsContact C-N 3.32Å; F331-T334 HydrophobicContact CB-CG2 3.77Å; F331-T334 HydrophobicContact CD1-CG2 4.45Å; F331-T334 HydrophobicContact CG-CG2 4.17Å; F331-D338 HydrophobicContact CD1-CB 4.07Å; F331-D338 HydrophobicContact CE1-CB 3.84Å; F331-F342 HydrophobicContact CE1-CZ 4.06Å; F331-F342 HydrophobicContact CZ-CE1 4.43Å; F331-F342 HydrophobicContact CZ-CE2 4.28Å; F331-F342 AromaticContact CZ-CZ 4Å; F331-F342 HydrophobicContact CZ-CZ 4Å; F331-F359 HydrophobicContact CE2-CD2 4.27Å; F331-F359 HydrophobicContact CE2-CE2 4.19Å; F331-F359 HydrophobicContact CE2-CZ 4.45Å; F331-F359 AromaticContact CZ-CD2 3.76Å; F331-F359 HydrophobicContact CZ-CD2 3.76Å; F331-F359 AromaticContact CZ-CE2 3.98Å; F331-F359 HydrophobicContact CZ-CE2 3.98Å; F331-F359 HydrophobicContact CZ-CG 4.29Å
332N92.3Very high93.8Very high98 Ų9849.7 Ų49.752%0.52427%0.271SS..SBendtrans-67.1-39.4178.2-169.222.5000111.1M291 R321M291-N332 WeakPolarHBondContact CA-O 3.12Å; R321-N332 PolarHBondContact O-N 3.44Å
333R93Very high93.8Very high143 Ų14350 Ų5054%0.5427%0.273SS..SBendtrans-145114.7174.1-169.5-177.1-167.6-179.18108.7D289 R321 F331D289-R333 VanDerWaalsContact CG-NE 3.34Å; D289-R333 WeakPolarHBondContact OD1-CD 3.38Å; D289-R333 WeakPolarHBondContact OD1-CG 3.37Å; D289-R333 IonicContact OD1-CZ 3.65Å; D289-R333 VanDerWaalsContact OD1-CZ 3.28Å; D289-R333 IonicContact OD1-NE 2.68Å; D289-R333 PolarHBondContact OD1-NE 2.91Å; D289-R333 IonicContact OD1-NH2 3.23Å; D289-R333 PolarHBondContact OD1-NH2 2.81Å; D289-R333 IonicContact OD2-CZ 3.48Å; D289-R333 IonicContact OD2-NE 3.33Å; D289-R333 IonicContact OD2-NH2 3.03Å; D289-R333 PolarHBondContact OD2-NH2 3.1Å; R321-R333 PolarHBondContact NH1-O 2.96Å; F331-R333 VanDerWaalsContact C-N 3.32Å
334T92.7Very high93.8Very high3 Ų347.9 Ų47.92%0.01826%0.264CS..  trans-72.3132.1177.847.30000111.9F286 T287 D289 T290 Q292 F331 D338F286-T334 HydrophobicContact CB-CG2 4.03Å; F286-T334 HydrophobicContact CD2-CG2 4.06Å; F286-T334 HydrophobicContact CG-CG2 4.32Å; T287-T334 PolarHBondContact O-OG1 3.36Å; D289-T334 PolarHBondContact N-O 2.65Å; D289-T334 PolarHBondContact N-OG1 3.15Å; T290-T334 PolarHBondContact N-OG1 3.04Å; T290-T334 WeakPolarHBondContact O-CG2 3.27Å; T290-T334 PolarHBondContact O-N 3.24Å; T290-T334 PolarHBondContact O-OG1 2.86Å; T290-T334 PolarHBondContact OG1-OG1 3.4Å; Q292-T334 HydrophobicContact CB-CG2 4.27Å; Q292-T334 HydrophobicContact CG-CG2 3.69Å; F331-T334 HydrophobicContact CB-CG2 3.77Å; F331-T334 HydrophobicContact CD1-CG2 4.45Å; F331-T334 HydrophobicContact CG-CG2 4.17Å; T334-D338 WeakPolarHBondContact CA-OD2 3.47Å
335E92.9Very high93.8Very high96 Ų9646.5 Ų46.545%0.44926%0.258SS..  trans-128.7161.8172.969.3-171.3-169.700111.1R321 G337 D338 V361R321-E335 IonicContact CZ-OE1 2.74Å; R321-E335 IonicContact CZ-OE2 3.97Å; R321-E335 IonicContact NE-OE1 3.4Å; R321-E335 PolarHBondContact NE-OE1 3Å; R321-E335 IonicContact NE-OE2 3.51Å; R321-E335 IonicContact NH2-OE1 3.76Å; R321-E335 PolarHBondContact NH2-OE1 2.85Å; R321-E335 IonicContact NH2-OE2 2.74Å; E335-G337 PolarHBondContact O-N 2.89Å; E335-G337 VanDerWaalsContact O-N 3.13Å; E335-D338 PolarHBondContact N-OD2 2.8Å; E335-D338 VanDerWaalsContact O-CB 3.3Å; E335-D338 WeakPolarHBondContact O-CB 3.35Å; E335-D338 PolarHBondContact O-N 3.13Å; E335-V361 WeakPolarHBondContact O-CB 3.46Å; E335-V361 WeakPolarHBondContact O-CG2 3.25Å
336E87.4Confident93.8Very high116 Ų11642.5 Ų42.554%0.54224%0.239SC..G310 helixtrans-53.8-39-174.5-174.3178.4-179.600112.7D338 S339 T363E336-D338 PolarHBondContact O-N 3.11Å; E336-S339 VanDerWaalsContact O-CB 3.29Å; E336-S339 WeakPolarHBondContact O-CB 3.45Å; E336-S339 PolarHBondContact O-N 2.85Å; E336-S339 VanDerWaalsContact O-N 3.08Å; E336-S339 PolarHBondContact O-OG 2.78Å; E336-T363 HydrophobicContact CB-CG2 4.42Å; E336-T363 HydrophobicContact CG-CG2 4.39Å
337G88.9Confident93.9Very high48 Ų4839.9 Ų39.950%0.49522%0.223SC..G310 helixtrans-67.4-8.2177.900000115.4R311 E335R311-G337 PolarHBondContact NH2-O 2.68Å; E335-G337 PolarHBondContact O-N 2.89Å; E335-G337 VanDerWaalsContact O-N 3.13Å
338D92.2Very high93.9Very high0 Ų037.5 Ų37.50%021%0.21CC..G310 helixtrans-78.7-11.9170.8-63.7-32.9000112.8R321 V322 F331 T334 E335 E336 G340 V361R321-D338 IonicContact CZ-OD1 3.78Å; R321-D338 IonicContact CZ-OD2 2.65Å; R321-D338 IonicContact NH1-OD1 3.55Å; R321-D338 PolarHBondContact NH1-OD1 3.46Å; R321-D338 IonicContact NH1-OD2 2.73Å; R321-D338 PolarHBondContact NH1-OD2 2.87Å; R321-D338 IonicContact NH2-OD1 3.28Å; R321-D338 PolarHBondContact NH2-OD1 2.99Å; R321-D338 IonicContact NH2-OD2 2.81Å; V322-D338 WeakPolarHBondContact CG2-OD1 2.95Å; F331-D338 HydrophobicContact CD1-CB 4.07Å; F331-D338 HydrophobicContact CE1-CB 3.84Å; T334-D338 WeakPolarHBondContact CA-OD2 3.47Å; E335-D338 PolarHBondContact N-OD2 2.8Å; E335-D338 VanDerWaalsContact O-CB 3.3Å; E335-D338 WeakPolarHBondContact O-CB 3.35Å; E335-D338 PolarHBondContact O-N 3.13Å; E336-D338 PolarHBondContact O-N 3.11Å; D338-G340 PolarHBondContact O-N 3.35Å; D338-V361 HydrophobicContact CB-CG2 3.87Å
339S91.9Very high93.6Very high35 Ų3540.6 Ų40.625%0.24522%0.222CC..  trans-62.3133.5175.2-54.20000110.1E336 F359 V361E336-S339 VanDerWaalsContact O-CB 3.29Å; E336-S339 WeakPolarHBondContact O-CB 3.45Å; E336-S339 PolarHBondContact O-N 2.85Å; E336-S339 VanDerWaalsContact O-N 3.08Å; E336-S339 PolarHBondContact O-OG 2.78Å; S339-F359 CarbonylContact C-O 3.58Å; S339-F359 VanDerWaalsContact CA-O 3.23Å; S339-F359 WeakPolarHBondContact CA-O 3.34Å; S339-V361 PolarHBondContact OG-N 3.07Å
340G91.5Very high93.3Very high27 Ų2742.1 Ų42.128%0.27824%0.235SC..EExtended strand (participates in β ladder)trans154-179.9-178.100000113.5D338 F359D338-G340 PolarHBondContact O-N 3.35Å; G340-F359 PolarHBondContact N-O 2.68Å; G340-F359 PolarHBondContact O-N 2.77Å
341A93.6Very high93.2Very high60 Ų6043.2 Ų43.250%0.49625%0.247SC..EExtended strand (participates in β ladder)trans-88.3125.4176.400000110.3
342F95.5Very high93.1Very high1 Ų148.8 Ų48.80%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-112.2150.9166.1-73.2-113.8000107.9W309 E310 R311 V316 V322 L329 F331 V357 F359W309-F342 HydrophobicContact CE3-CB 4.01Å; W309-F342 HydrophobicContact CZ3-CB 4.11Å; E310-F342 CarbonylContact O-C 3.59Å; E310-F342 WeakPolarHBondContact O-CA 3.24Å; R311-F342 HydrophobicContact CB-CD1 3.92Å; R311-F342 HydrophobicContact CB-CE1 3.86Å; R311-F342 HydrophobicContact CB-CG 4.49Å; R311-F342 HydrophobicContact CB-CZ 4.38Å; R311-F342 HydrophobicContact CG-CD1 4.32Å; R311-F342 HydrophobicContact CG-CE1 4.05Å; R311-F342 HydrophobicContact CG-CE2 4.28Å; R311-F342 HydrophobicContact CG-CZ 4.06Å; V316-F342 HydrophobicContact CG2-CD1 4.16Å; V316-F342 HydrophobicContact CG2-CE1 4.19Å; V322-F342 HydrophobicContact CG1-CE1 4.11Å; V322-F342 HydrophobicContact CG1-CZ 4.27Å; L329-F342 HydrophobicContact CD1-CD1 4.34Å; L329-F342 HydrophobicContact CD1-CE1 4.24Å; L329-F342 HydrophobicContact CD2-CB 4.34Å; L329-F342 HydrophobicContact CD2-CD1 3.47Å; L329-F342 VanDerWaalsContact CD2-CD1 3.47Å; L329-F342 HydrophobicContact CD2-CE1 3.79Å; L329-F342 HydrophobicContact CD2-CG 3.96Å; F331-F342 HydrophobicContact CE1-CZ 4.06Å; F331-F342 HydrophobicContact CZ-CE1 4.43Å; F331-F342 HydrophobicContact CZ-CE2 4.28Å; F331-F342 AromaticContact CZ-CZ 4Å; F331-F342 HydrophobicContact CZ-CZ 4Å; F342-V357 PolarHBondContact N-O 2.94Å; F342-V357 PolarHBondContact O-N 2.9Å; F342-V357 VanDerWaalsContact O-O 3.09Å; F342-F359 HydrophobicContact CB-CD2 4.14Å; F342-F359 HydrophobicContact CB-CE2 3.64Å; F342-F359 HydrophobicContact CD1-CE2 4.35Å; F342-F359 AromaticContact CD2-CD2 3.3Å; F342-F359 HydrophobicContact CD2-CD2 3.3Å; F342-F359 AromaticContact CD2-CE2 3.65Å; F342-F359 HydrophobicContact CD2-CE2 3.65Å; F342-F359 AromaticContact CE2-CD2 3.74Å; F342-F359 HydrophobicContact CE2-CD2 3.74Å; F342-F359 HydrophobicContact CE2-CE2 4.32Å; F342-F359 AromaticContact CG-CD2 3.82Å; F342-F359 HydrophobicContact CG-CD2 3.82Å; F342-F359 AromaticContact CG-CE2 3.64Å; F342-F359 HydrophobicContact CG-CE2 3.64Å
343T95.3Very high93.2Very high28 Ų2848.6 Ų48.617%0.17226%0.259CS..EExtended strand (participates in β ladder)trans-122.5118.2-179.8-58.10000108W309 E310 V345 T354 Q355 D356W309-T343 CarbonylContact C-O 3.58Å; E310-T343 PolarHBondContact N-O 2.88Å; E310-T343 PolarHBondContact O-N 3.3Å; T343-V345 HydrophobicContact CG2-CG2 4.09Å; T343-T354 HydrophobicContact CG2-CG2 3.93Å; T343-Q355 CarbonylContact C-O 3.59Å; T343-Q355 WeakPolarHBondContact CA-O 3.31Å; T343-D356 PolarHBondContact OG1-OD1 3.14Å; T343-D356 VanDerWaalsContact OG1-OD1 3.11Å
344C95.9Very high93.3Very high0 Ų045 Ų450%025%0.254CS..EExtended strand (participates in β ladder)trans-77.2132163.31790000108.9M278 C296 V307 W309 T354 Q355M278-C344 HydrophobicContact CE-CB 4.16Å; C296-C344 HydrophobicContact CB-CB 3.71Å; C296-C344 WeakPolarHBondContact CB-SG 3.38Å; C296-C344 WeakPolarHBondContact SG-CB 3.26Å; C296-C344 CovalentContact SG-SG 1.98Å; C296-C344 PolarHBondContact SG-SG 2.88Å; V307-C344 VanDerWaalsContact CG1-SG 3.59Å; W309-C344 HydrophobicContact CD2-CB 4.14Å; W309-C344 HydrophobicContact CE3-CB 4.01Å; W309-C344 HydrophobicContact CH2-CB 4.07Å; W309-C344 HydrophobicContact CZ2-CB 4.17Å; W309-C344 HydrophobicContact CZ3-CB 3.98Å; C344-T354 CarbonylContact O-C 3.52Å; C344-T354 VanDerWaalsContact O-CA 3.27Å; C344-T354 WeakPolarHBondContact O-CA 3.39Å; C344-Q355 PolarHBondContact N-O 2.96Å; C344-Q355 PolarHBondContact O-N 2.82Å
345V95.8Very high93.3Very high0 Ų045.5 Ų45.50%026%0.256CS..EExtended strand (participates in β ladder)trans-117.4130.4-178.8-173.20000108.7V307 W308 E310 T343 R352 R353 T354V307-V345 CarbonylContact C-O 3.55Å; V307-V345 VanDerWaalsContact CA-O 3.27Å; V307-V345 WeakPolarHBondContact CA-O 3.16Å; W308-V345 HydrophobicContact CD2-CB 3.97Å; W308-V345 HydrophobicContact CD2-CG1 4.25Å; W308-V345 HydrophobicContact CG-CB 4.39Å; W308-V345 HydrophobicContact CH2-CB 4.42Å; W308-V345 HydrophobicContact CH2-CG1 3.65Å; W308-V345 HydrophobicContact CZ2-CB 3.88Å; W308-V345 HydrophobicContact CZ2-CG1 3.31Å; W308-V345 HydrophobicContact CZ3-CG1 4.24Å; W308-V345 PolarHBondContact N-O 2.76Å; W308-V345 PolarHBondContact O-N 3.48Å; E310-V345 HydrophobicContact CB-CG2 4.45Å; E310-V345 HydrophobicContact CG-CG2 3.95Å; T343-V345 HydrophobicContact CG2-CG2 4.09Å; V345-R352 HydrophobicContact CG1-CG 3.77Å; V345-R352 VanDerWaalsContact CG1-NE 3.28Å; V345-R353 WeakPolarHBondContact CA-O 3.36Å; V345-T354 HydrophobicContact CG1-CG2 4.3Å; V345-T354 HydrophobicContact CG2-CG2 4.17Å
346A96.4Very high93.4Very high0 Ų043.1 Ų43.10%025%0.246CC..EExtended strand (participates in β ladder)trans-121126.3170.100000109.1M278 P298 P299 P305 E306 V307 R353M278-A346 HydrophobicContact SD-CB 4.05Å; P298-A346 HydrophobicContact CB-CB 4.35Å; P299-A346 VanDerWaalsContact CD-CB 3.44Å; P299-A346 HydrophobicContact CG-CB 4.05Å; P305-A346 HydrophobicContact CB-CB 4.16Å; P305-A346 HydrophobicContact CG-CB 4.46Å; E306-A346 CarbonylContact O-C 3.5Å; E306-A346 WeakPolarHBondContact O-CA 3.34Å; V307-A346 HydrophobicContact CG2-CB 4.43Å; A346-R353 PolarHBondContact N-O 2.97Å; A346-R353 PolarHBondContact O-N 2.84Å
347Q95.4Very high93.7Very high86 Ų8637.6 Ų37.640%0.40222%0.22SC..EExtended strand (participates in β ladder)trans-138132.5-176.5-175.9169.2-32.300111.9P305 E306 W308 G351 R352P305-Q347 CarbonylContact C-O 3.52Å; P305-Q347 WeakPolarHBondContact CA-O 3.43Å; E306-Q347 PolarHBondContact N-O 2.98Å; E306-Q347 PolarHBondContact O-N 3.4Å; W308-Q347 HydrophobicContact CH2-CB 3.55Å; W308-Q347 HydrophobicContact CH2-CG 4.38Å; W308-Q347 HydrophobicContact CZ3-CB 3.73Å; Q347-G351 WeakPolarHBondContact CA-O 3.37Å; Q347-R352 HydrophobicContact CG-CB 4.37Å
348N94.4Very high94Very high18 Ų1838 Ų3810%0.09621%0.213CC..EExtended strand (participates in β ladder)trans-133.5-170.116771.32.9000110.1D274 R302 P303 P305 A350 G351D274-N348 PolarHBondContact O-ND2 3.22Å; R302-N348 PolarHBondContact N-ND2 3.33Å; P303-N348 VanDerWaalsContact O-CB 3.31Å; P303-N348 WeakPolarHBondContact O-CB 3.2Å; P303-N348 PolarHBondContact O-ND2 2.91Å; P305-N348 HydrophobicContact CB-CB 4.16Å; N348-A350 PolarHBondContact O-N 2.79Å; N348-A350 VanDerWaalsContact O-N 3.15Å; N348-A350 WeakPolarHBondContact OD1-CA 3.41Å; N348-A350 VanDerWaalsContact OD1-CB 3.22Å; N348-A350 WeakPolarHBondContact OD1-CB 3.19Å; N348-A350 PolarHBondContact OD1-N 3.17Å; N348-G351 PolarHBondContact N-O 3.35Å; N348-G351 PolarHBondContact O-N 2.88Å; N348-G351 PolarHBondContact OD1-N 2.82Å
349K90.9Very high94.1Very high93 Ų9338.1 Ų38.140%0.40421%0.214SC..THydrogen-bonded Turntrans-56.8-28.7178.6-170.2173.5178.4-179.50113.5V195 L197 E200 A273 G351V195-K349 PolarHBondContact O-NZ 2.89Å; L197-K349 HydrophobicContact CD1-CG 4.47Å; L197-K349 WeakPolarHBondContact CD2-O 3.43Å; L197-K349 HydrophobicContact CG-CG 4.21Å; E200-K349 WeakPolarHBondContact OE2-CE 3.36Å; E200-K349 IonicContact OE2-NZ 3.28Å; E200-K349 PolarHBondContact OE2-NZ 2.76Å; A273-K349 HydrophobicContact CB-CB 4.15Å; A273-K349 HydrophobicContact CB-CG 4.37Å; K349-G351 VanDerWaalsContact C-N 3.33Å
350A91.2Very high94.1Very high32 Ų3238.3 Ų38.326%0.26421%0.213SC..THydrogen-bonded Turntrans-76-19.7179.600000113.7A273 D274 I275 N348A273-A350 HydrophobicContact CB-CB 3.97Å; D274-A350 VanDerWaalsContact C-CB 3.42Å; I275-A350 HydrophobicContact CB-CB 4.2Å; I275-A350 HydrophobicContact CG2-CB 3.97Å; N348-A350 PolarHBondContact O-N 2.79Å; N348-A350 VanDerWaalsContact O-N 3.15Å; N348-A350 WeakPolarHBondContact OD1-CA 3.41Å; N348-A350 VanDerWaalsContact OD1-CB 3.22Å; N348-A350 WeakPolarHBondContact OD1-CB 3.19Å; N348-A350 PolarHBondContact OD1-N 3.17Å
351G92.6Very high94.1Very high24 Ų2437 Ų3725%0.24720%0.2CC..EExtended strand (participates in β ladder)trans140.1-170.3173.900000113.8Q347 N348 K349Q347-G351 WeakPolarHBondContact CA-O 3.37Å; N348-G351 PolarHBondContact N-O 3.35Å; N348-G351 PolarHBondContact O-N 2.88Å; N348-G351 PolarHBondContact OD1-N 2.82Å; K349-G351 VanDerWaalsContact C-N 3.33Å
352R94.4Very high94Very high116 Ų11634.1 Ų34.144%0.43818%0.176SC..EExtended strand (participates in β ladder)trans-99.4138.5-177.5-171.2178.9179.5-160.41.5111.1E310 V345 Q347 T354E310-R352 IonicContact OE1-CZ 2.81Å; E310-R352 IonicContact OE1-NH2 3.99Å; E310-R352 PolarHBondContact OE1-NH2 2.96Å; E310-R352 IonicContact OE2-CZ 3.62Å; E310-R352 IonicContact OE2-NH2 3.96Å; E310-R352 PolarHBondContact OE2-NH2 3.44Å; V345-R352 HydrophobicContact CG1-CG 3.77Å; V345-R352 VanDerWaalsContact CG1-NE 3.28Å; Q347-R352 HydrophobicContact CG-CB 4.37Å; R352-T354 HydrophobicContact CG-CG2 4.37Å
353R95.3Very high93.8Very high94 Ų9435.3 Ų35.336%0.35518%0.184SC..EExtended strand (participates in β ladder)trans-127.8148.6169.5-64.4-68.9-178.1-87.9-4.2109I275 G276 M278 P299 V345 A346I275-R353 HydrophobicContact CD1-CB 4.29Å; I275-R353 HydrophobicContact CD1-CG 3.81Å; I275-R353 HydrophobicContact CG1-CG 3.93Å; I275-R353 HydrophobicContact CG2-CG 4.01Å; I275-R353 PolarHBondContact O-NH2 3.4Å; G276-R353 WeakPolarHBondContact O-CD 3.32Å; G276-R353 WeakPolarHBondContact O-CG 3.27Å; G276-R353 PolarHBondContact O-NE 3Å; G276-R353 VanDerWaalsContact O-NE 3.16Å; M278-R353 HydrophobicContact CG-CB 3.91Å; M278-R353 HydrophobicContact SD-CB 4.09Å; P299-R353 HydrophobicContact CG-CB 4.41Å; V345-R353 WeakPolarHBondContact CA-O 3.36Å; A346-R353 PolarHBondContact N-O 2.97Å; A346-R353 PolarHBondContact O-N 2.84Å
354T94.6Very high93.5Very high69 Ų6936.9 Ų36.942%0.42320%0.195SC..EExtended strand (participates in β ladder)trans-137.9149.3-175.5560000110.6M278 T343 C344 V345 R352M278-T354 VanDerWaalsContact SD-C 3.55Å; T343-T354 HydrophobicContact CG2-CG2 3.93Å; C344-T354 CarbonylContact O-C 3.52Å; C344-T354 VanDerWaalsContact O-CA 3.27Å; C344-T354 WeakPolarHBondContact O-CA 3.39Å; V345-T354 HydrophobicContact CG1-CG2 4.3Å; V345-T354 HydrophobicContact CG2-CG2 4.17Å; R352-T354 HydrophobicContact CG-CG2 4.37Å
355Q94.3Very high93.2Very high13 Ų1337.2 Ų37.26%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-130.4117.8169178.2174.617.600109M278 S279 P280 T343 C344 V357M278-Q355 HydrophobicContact CB-CB 4.2Å; M278-Q355 HydrophobicContact CE-CB 3.59Å; M278-Q355 HydrophobicContact SD-CB 4.08Å; S279-Q355 WeakPolarHBondContact O-CG 3.28Å; S279-Q355 PolarHBondContact OG-NE2 2.74Å; S279-Q355 PolarHBondContact OG-OE1 3.38Å; P280-Q355 PolarHBondContact O-NE2 3.42Å; T343-Q355 CarbonylContact C-O 3.59Å; T343-Q355 WeakPolarHBondContact CA-O 3.31Å; C344-Q355 PolarHBondContact N-O 2.96Å; C344-Q355 PolarHBondContact O-N 2.82Å; Q355-V357 HydrophobicContact CG-CG2 4.31Å
356D94.1Very high93Very high46 Ų4641.8 Ų41.825%0.24622%0.224CC..EExtended strand (participates in β ladder)trans-78.4132.5173.9-61.7-26.7000110.3K281 M282 T343K281-D356 VanDerWaalsContact CA-O 3.28Å; K281-D356 WeakPolarHBondContact CA-O 3.47Å; K281-D356 HydrophobicContact CD-CB 4.05Å; K281-D356 VanDerWaalsContact CE-OD2 3.28Å; K281-D356 WeakPolarHBondContact CE-OD2 3.49Å; K281-D356 HydrophobicContact CG-CB 4.06Å; K281-D356 IonicContact NZ-OD2 3.16Å; K281-D356 PolarHBondContact NZ-OD2 2.82Å; M282-D356 PolarHBondContact N-O 2.94Å; T343-D356 PolarHBondContact OG1-OD1 3.14Å; T343-D356 VanDerWaalsContact OG1-OD1 3.11Å
357V94.6Very high92.8Very high0 Ų045.2 Ų45.20%024%0.237CC..EExtended strand (participates in β ladder)trans-126118175.4-170.30000108.8M282 W309 F342 Q355 F359M282-V357 HydrophobicContact CB-CG1 4.3Å; M282-V357 HydrophobicContact CB-CG2 4.35Å; M282-V357 HydrophobicContact CE-CB 4.44Å; M282-V357 HydrophobicContact CE-CG1 3.69Å; M282-V357 HydrophobicContact CE-CG2 3.84Å; M282-V357 HydrophobicContact CG-CG1 4.44Å; M282-V357 CarbonylContact O-C 3.39Å; M282-V357 VanDerWaalsContact O-CA 3.27Å; M282-V357 WeakPolarHBondContact O-CA 3.46Å; W309-V357 HydrophobicContact CH2-CB 4.35Å; W309-V357 HydrophobicContact CH2-CG2 3.82Å; W309-V357 HydrophobicContact CZ3-CB 4.08Å; W309-V357 HydrophobicContact CZ3-CG2 3.82Å; F342-V357 PolarHBondContact N-O 2.94Å; F342-V357 PolarHBondContact O-N 2.9Å; F342-V357 VanDerWaalsContact O-O 3.09Å; Q355-V357 HydrophobicContact CG-CG2 4.31Å; V357-F359 HydrophobicContact CB-CE1 4.43Å; V357-F359 HydrophobicContact CB-CE2 4.44Å; V357-F359 HydrophobicContact CB-CZ 4.03Å; V357-F359 HydrophobicContact CG1-CD1 4.1Å; V357-F359 HydrophobicContact CG1-CE1 3.39Å; V357-F359 HydrophobicContact CG1-CE2 4.2Å; V357-F359 HydrophobicContact CG1-CZ 3.45Å; V357-F359 VanDerWaalsContact CG1-CZ 3.45Å
358T94.8Very high92.7Very high57 Ų5745.1 Ų45.135%0.3524%0.243SC..EExtended strand (participates in β ladder)trans-93119.3175.2-53.40000109.4M282 S283 R284M282-T358 PolarHBondContact O-N 2.94Å; S283-T358 CarbonylContact C-O 3.59Å; S283-T358 VanDerWaalsContact CA-O 3.3Å; S283-T358 WeakPolarHBondContact CA-O 2.96Å; R284-T358 PolarHBondContact N-O 3.27Å
359F93.6Very high92.6Very high1 Ų146.3 Ų46.30%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-97.4134.9172.1-58.7-59.3000110.4R284 F286 V294 W309 L329 F331 S339 G340 F342 V357R284-F359 HydrophobicContact CB-CD1 3.9Å; R284-F359 HydrophobicContact CB-CE1 4.13Å; R284-F359 CarbonylContact O-C 3.56Å; R284-F359 WeakPolarHBondContact O-CA 3.35Å; F286-F359 HydrophobicContact CD2-CB 4.48Å; F286-F359 HydrophobicContact CD2-CD1 4.38Å; F286-F359 HydrophobicContact CE2-CB 4.05Å; F286-F359 AromaticContact CE2-CD1 3.31Å; F286-F359 HydrophobicContact CE2-CD1 3.31Å; F286-F359 AromaticContact CE2-CE1 3.92Å; F286-F359 HydrophobicContact CE2-CE1 3.92Å; F286-F359 AromaticContact CE2-CG 3.75Å; F286-F359 HydrophobicContact CE2-CG 3.75Å; F286-F359 AromaticContact CZ-CD1 3.38Å; F286-F359 HydrophobicContact CZ-CD1 3.38Å; F286-F359 AromaticContact CZ-CE1 3.63Å; F286-F359 HydrophobicContact CZ-CE1 3.63Å; F286-F359 HydrophobicContact CZ-CG 4.28Å; V294-F359 HydrophobicContact CB-CE1 4.31Å; V294-F359 HydrophobicContact CB-CZ 4.18Å; V294-F359 HydrophobicContact CG1-CE1 4.05Å; V294-F359 HydrophobicContact CG1-CZ 4Å; V294-F359 HydrophobicContact CG2-CE1 3.7Å; V294-F359 HydrophobicContact CG2-CZ 3.94Å; W309-F359 HydrophobicContact CH2-CZ 4.37Å; W309-F359 HydrophobicContact CZ3-CE2 4.5Å; W309-F359 HydrophobicContact CZ3-CZ 4.32Å; L329-F359 HydrophobicContact CD2-CD2 4.36Å; L329-F359 HydrophobicContact CD2-CE2 3.4Å; L329-F359 VanDerWaalsContact CD2-CE2 3.4Å; L329-F359 HydrophobicContact CD2-CZ 3.89Å; F331-F359 HydrophobicContact CE2-CD2 4.27Å; F331-F359 HydrophobicContact CE2-CE2 4.19Å; F331-F359 HydrophobicContact CE2-CZ 4.45Å; F331-F359 AromaticContact CZ-CD2 3.76Å; F331-F359 HydrophobicContact CZ-CD2 3.76Å; F331-F359 AromaticContact CZ-CE2 3.98Å; F331-F359 HydrophobicContact CZ-CE2 3.98Å; F331-F359 HydrophobicContact CZ-CG 4.29Å; S339-F359 CarbonylContact C-O 3.58Å; S339-F359 VanDerWaalsContact CA-O 3.23Å; S339-F359 WeakPolarHBondContact CA-O 3.34Å; G340-F359 PolarHBondContact N-O 2.68Å; G340-F359 PolarHBondContact O-N 2.77Å; F342-F359 HydrophobicContact CB-CD2 4.14Å; F342-F359 HydrophobicContact CB-CE2 3.64Å; F342-F359 HydrophobicContact CD1-CE2 4.35Å; F342-F359 AromaticContact CD2-CD2 3.3Å; F342-F359 HydrophobicContact CD2-CD2 3.3Å; F342-F359 AromaticContact CD2-CE2 3.65Å; F342-F359 HydrophobicContact CD2-CE2 3.65Å; F342-F359 AromaticContact CE2-CD2 3.74Å; F342-F359 HydrophobicContact CE2-CD2 3.74Å; F342-F359 HydrophobicContact CE2-CE2 4.32Å; F342-F359 AromaticContact CG-CD2 3.82Å; F342-F359 HydrophobicContact CG-CD2 3.82Å; F342-F359 AromaticContact CG-CE2 3.64Å; F342-F359 HydrophobicContact CG-CE2 3.64Å; V357-F359 HydrophobicContact CB-CE1 4.43Å; V357-F359 HydrophobicContact CB-CE2 4.44Å; V357-F359 HydrophobicContact CB-CZ 4.03Å; V357-F359 HydrophobicContact CG1-CD1 4.1Å; V357-F359 HydrophobicContact CG1-CE1 3.39Å; V357-F359 HydrophobicContact CG1-CE2 4.2Å; V357-F359 HydrophobicContact CG1-CZ 3.45Å; V357-F359 VanDerWaalsContact CG1-CZ 3.45Å
360T92.2Very high92.7Very high39 Ų3947.8 Ų47.824%0.23926%0.258CS..EExtended strand (participates in β ladder)trans-119.3117.7170-56.40000108R284 V285 F286 A362R284-T360 PolarHBondContact O-N 2.83Å; V285-T360 CarbonylContact C-O 3.58Å; V285-T360 VanDerWaalsContact CA-O 3.27Å; V285-T360 WeakPolarHBondContact CA-O 3.32Å; F286-T360 PolarHBondContact N-O 2.81Å; T360-A362 PolarHBondContact O-N 2.88Å
361V92.4Very high92.8Very high0 Ų046.6 Ų46.60%025%0.248CC..EExtended strand (participates in β ladder)trans-89.5106.7172.3-177.30000108.8F286 T288 E335 D338 S339F286-V361 HydrophobicContact CD2-CG2 4.5Å; F286-V361 CarbonylContact O-C 3.58Å; T288-V361 HydrophobicContact CG2-CG1 3.73Å; E335-V361 WeakPolarHBondContact O-CB 3.46Å; E335-V361 WeakPolarHBondContact O-CG2 3.25Å; D338-V361 HydrophobicContact CB-CG2 3.87Å; S339-V361 PolarHBondContact OG-N 3.07Å
362A90.8Very high92.9Very high0 Ų050.5 Ų50.50%026%0.263CS..EExtended strand (participates in β ladder)trans-76.5120.9-178.700000111.8V285 F286 T288 T360 N391 V440V285-A362 HydrophobicContact CG1-CB 3.77Å; F286-A362 WeakPolarHBondContact O-CA 3.48Å; F286-A362 WeakPolarHBondContact O-CB 3.25Å; F286-A362 PolarHBondContact O-N 2.88Å; T288-A362 WeakPolarHBondContact CG2-O 3.28Å; T288-A362 PolarHBondContact N-O 2.84Å; T288-A362 VanDerWaalsContact N-O 3.1Å; T360-A362 PolarHBondContact O-N 2.88Å; A362-N391 CarbonylContact C-O 3.55Å; A362-N391 WeakPolarHBondContact CA-O 3.23Å; A362-V440 HydrophobicContact CB-CB 4.11Å
363T89.9Confident93Very high25 Ų2550.3 Ų50.315%0.15327%0.271CS..PPolyproline II helixtrans-89.5145.4174.465.40000110.1T288 E336 N391T288-T363 HydrophobicContact CG2-CG2 3.8Å; E336-T363 HydrophobicContact CB-CG2 4.42Å; E336-T363 HydrophobicContact CG-CG2 4.39Å; T363-N391 HydrophobicContact CG2-CB 4.34Å; T363-N391 PolarHBondContact N-O 2.81Å; T363-N391 PolarHBondContact OG1-N 3.16Å
364P89.2Confident92.9Very high62 Ų6247.4 Ų47.440%0.40327%0.265SS..PPolyproline II helixtrans-62148.8170.527.3-34.2000110.7
365P91.1Very high92.8Very high7 Ų748 Ų485%0.04527%0.272CS..PPolyproline II helixtrans-68.2144.4178.725.8-27.4000110.9A388 Q389 A390 P394 T439 L444P365-A388 HydrophobicContact CB-CB 4.2Å; P365-Q389 WeakPolarHBondContact CA-O 3.24Å; P365-A390 HydrophobicContact CB-CB 4.19Å; P365-P394 HydrophobicContact CB-CB 4.35Å; P365-T439 HydrophobicContact CB-CG2 4.15Å; P365-T439 WeakPolarHBondContact CD-OG1 3.47Å; P365-T439 HydrophobicContact CG-CG2 4.19Å; P365-L444 HydrophobicContact CB-CD1 4.13Å; P365-L444 HydrophobicContact CB-CG 4.36Å; P365-L444 HydrophobicContact CG-CB 4.24Å; P365-L444 HydrophobicContact CG-CD1 4.36Å; P365-L444 HydrophobicContact CG-CG 4.04Å; P365-L444 WeakPolarHBondContact O-CD1 2.93Å; P365-L444 WeakPolarHBondContact O-CG 3.31Å
366V91.8Very high92.7Very high96 Ų9648.3 Ų48.358%0.58227%0.273SS*.EExtended strand (participates in β ladder)trans-125.9136.2175.5-176.30000109.4V368 A388 Q389V366-V368 PolarHBondContact O-N 2.88Å; V366-A388 CarbonylContact O-C 3.39Å; V366-A388 WeakPolarHBondContact O-CA 3.46Å; V366-A388 WeakPolarHBondContact O-CB 3.41Å; V366-Q389 PolarHBondContact N-O 3.48Å; V366-Q389 PolarHBondContact O-N 3.16Å
367W92.1Very high92.4Very high72 Ų7249.5 Ų49.527%0.27328%0.28SS..EExtended strand (participates in β ladder)trans-63124.9179.4-72119.4000112K370 C386 A388 T437 L444W367-K370 HydrophobicContact CD2-CB 3.83Å; W367-K370 HydrophobicContact CE3-CB 4Å; W367-K370 HydrophobicContact CG-CB 4.11Å; W367-C386 VanDerWaalsContact CH2-SG 3.52Å; W367-C386 WeakPolarHBondContact CZ3-SG 3.38Å; W367-A388 HydrophobicContact CE3-CB 4.36Å; W367-T437 HydrophobicContact CH2-CG2 4.12Å; W367-T437 HydrophobicContact CZ3-CG2 4.07Å; W367-L444 HydrophobicContact CD2-CD1 4.05Å; W367-L444 HydrophobicContact CG-CD1 3.99Å; W367-L444 HydrophobicContact CH2-CB 4.48Å; W367-L444 HydrophobicContact CZ2-CB 3.85Å
368V93Very high91.8Very high84 Ų8450.4 Ų50.451%0.50928%0.284SS..EExtended strand (participates in β ladder)trans-96.7-45.5161.8-177.70000109.3V366 Y387 Q389V366-V368 PolarHBondContact O-N 2.88Å; V368-Y387 HydrophobicContact CB-CD1 3.45Å; V368-Y387 VanDerWaalsContact CB-CD1 3.45Å; V368-Y387 HydrophobicContact CB-CE1 3.84Å; V368-Y387 HydrophobicContact CB-CG 4.15Å; V368-Y387 HydrophobicContact CG1-CD1 3.48Å; V368-Y387 VanDerWaalsContact CG1-CD1 3.48Å; V368-Y387 HydrophobicContact CG1-CE1 3.69Å; V368-Y387 HydrophobicContact CG2-CD1 4Å; V368-Y387 HydrophobicContact CG2-CE1 3.93Å; V368-Y387 PolarHBondContact N-O 3.13Å; V368-Q389 HydrophobicContact CG2-CB 3.81Å
369S92.2Very high90.9Very high43 Ų4349.3 Ų49.330%0.30128%0.284SS..EExtended strand (participates in β ladder)trans-139.8108.8172-177.10000109.8C386 Y387S369-C386 CarbonylContact O-C 3.58Å; S369-C386 WeakPolarHBondContact O-CA 3.38Å; S369-Y387 PolarHBondContact N-O 3.09Å; S369-Y387 PolarHBondContact O-N 3.41Å
370K92.1Very high90.6Very high123 Ų12354.8 Ų54.854%0.53531%0.308SS..  trans-79.5156.7174.168.3175.2-176.5172.90111.3W367 L372 H385W367-K370 HydrophobicContact CD2-CB 3.83Å; W367-K370 HydrophobicContact CE3-CB 4Å; W367-K370 HydrophobicContact CG-CB 4.11Å; K370-L372 HydrophobicContact CG-CD2 4.26Å; K370-L372 PolarHBondContact O-N 3.2Å; K370-H385 CarbonylContact C-O 3.5Å
371P94Very high90.5Very high7 Ų755.7 Ų55.75%0.04532%0.315CS..  trans-60.4136.9171.125.2-35.1000110.9H385 W398 C435 A448P371-H385 WeakPolarHBondContact CA-O 2.92Å; P371-H385 VanDerWaalsContact N-O 3.14Å; P371-W398 HydrophobicContact CB-CH2 3.93Å; P371-W398 HydrophobicContact CB-CZ3 4.36Å; P371-C435 HydrophobicContact CG-CB 4.31Å; P371-A448 HydrophobicContact CB-CB 3.8Å
372L94.3Very high90.5Very high106 Ų10655.8 Ų55.856%0.55532%0.316SS*.  trans-128.2147178.6-65.9176000110.5K370 S374 A448K370-L372 HydrophobicContact CG-CD2 4.26Å; K370-L372 PolarHBondContact O-N 3.2Å; L372-S374 PolarHBondContact O-N 3.22Å; L372-S374 PolarHBondContact O-OG 2.91Å; L372-A448 VanDerWaalsContact O-CB 3.28Å; L372-A448 WeakPolarHBondContact O-CB 3.19Å
373D95.9Very high90.7Very high113 Ų11360.5 Ų60.560%0.60433%0.334SS*.  trans-52.8127.5174.3-69.73.8000110A448 R449D373-A448 WeakPolarHBondContact OD1-CA 3.18Å; D373-R449 CarbonylContact C-O 3.51Å; D373-R449 WeakPolarHBondContact CA-O 3.36Å; D373-R449 HydrophobicContact CB-CB 4.41Å; D373-R449 PolarHBondContact OD1-N 2.81Å
374S93Very high90.9Very high33 Ų3359.5 Ų59.523%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-134.4139.1-167.4-660000110.9L372 R449 V450 T451L372-S374 PolarHBondContact O-N 3.22Å; L372-S374 PolarHBondContact O-OG 2.91Å; S374-R449 PolarHBondContact N-O 2.83Å; S374-V450 WeakPolarHBondContact O-CA 3.33Å; S374-T451 PolarHBondContact O-N 3.3Å
375S93.4Very high91.1Very high81 Ų8160.9 Ų60.957%0.56633%0.328SS*.EExtended strand (participates in β ladder)trans-101.9123.9170.9-63.70000109.7T451S375-T451 CarbonylContact C-O 3.54Å; S375-T451 VanDerWaalsContact CA-O 3.25Å; S375-T451 WeakPolarHBondContact CA-O 3.34Å
376L91.8Very high91.3Very high19 Ų1960.5 Ų60.510%0.09933%0.326CS..EExtended strand (participates in β ladder)trans-120.2139.3-175.2-57.1179.2000110.6I422 V425 V450 T451 V452 L453L376-I422 HydrophobicContact CD1-CD1 4.04Å; L376-V425 HydrophobicContact CB-CG1 3.87Å; L376-V425 HydrophobicContact CB-CG2 4.12Å; L376-V425 HydrophobicContact CD1-CG2 4.05Å; L376-V450 HydrophobicContact CD1-CG1 3.6Å; L376-V450 HydrophobicContact CG-CG1 4.05Å; L376-T451 PolarHBondContact N-O 3.19Å; L376-V452 CarbonylContact O-C 3.5Å; L376-V452 WeakPolarHBondContact O-CA 3.41Å; L376-L453 PolarHBondContact O-N 2.78Å
377D87.8Confident91.3Very high71 Ų7159.9 Ų59.938%0.3831%0.314SS..EExtended strand (participates in β ladder)trans-78.9130.6178.7-70.9-34.1000111.8G379 K380 V425D377-G379 PolarHBondContact O-N 2.88Å; D377-K380 HydrophobicContact CB-CB 4.21Å; D377-K380 HydrophobicContact CB-CD 3.87Å; D377-K380 HydrophobicContact CB-CG 4.14Å; D377-K380 PolarHBondContact O-N 2.79Å; D377-K380 IonicContact OD2-NZ 2.63Å; D377-K380 PolarHBondContact OD2-NZ 2.86Å; D377-V425 WeakPolarHBondContact O-CB 3.23Å
378E82.9Confident91.3Very high19 Ų1956.6 Ų56.69%0.08930%0.302CS..THydrogen-bonded Turntrans-58.6133.5172.9-172.5-174.1-176.300111.7K380 V425 V427 V452 L453 E454 R455 K457E378-K380 VanDerWaalsContact C-N 3.32Å; E378-V425 CarbonylContact C-O 3.59Å; E378-V425 WeakPolarHBondContact CA-O 3.27Å; E378-V427 HydrophobicContact CG-CG2 4.45Å; E378-V452 HydrophobicContact CB-CG1 4.1Å; E378-L453 WeakPolarHBondContact CB-O 3.47Å; E378-L453 PolarHBondContact N-O 2.86Å; E378-L453 VanDerWaalsContact N-O 3.1Å; E378-E454 WeakPolarHBondContact OE2-CA 3.34Å; E378-R455 HydrophobicContact CG-CG 4.48Å; E378-R455 WeakPolarHBondContact OE2-CG 3.43Å; E378-R455 PolarHBondContact OE2-N 2.04Å; E378-K457 IonicContact OE1-NZ 3.19Å; E378-K457 PolarHBondContact OE1-NZ 3.19Å; E378-K457 IonicContact OE2-NZ 2.86Å
379G76.2Confident91.2Very high34 Ų3458.5 Ų58.535%0.35131%0.305SS..THydrogen-bonded Turntrans85.5-4.7179.400000115D377 N424 V425D377-G379 PolarHBondContact O-N 2.88Å; G379-N424 VanDerWaalsContact CA-OD1 3.28Å; G379-N424 WeakPolarHBondContact CA-OD1 3.34Å; G379-N424 PolarHBondContact O-OD1 3.46Å; G379-V425 PolarHBondContact N-O 3.32Å
380K86.8Confident91.1Very high117 Ų11757 Ų5751%0.50930%0.295SS..SBendtrans-106.8160.4176.4-65.2-169.5-165.5159.10110.9D377 E378 V425D377-K380 HydrophobicContact CB-CB 4.21Å; D377-K380 HydrophobicContact CB-CD 3.87Å; D377-K380 HydrophobicContact CB-CG 4.14Å; D377-K380 PolarHBondContact O-N 2.79Å; D377-K380 IonicContact OD2-NZ 2.63Å; D377-K380 PolarHBondContact OD2-NZ 2.86Å; E378-K380 VanDerWaalsContact C-N 3.32Å; K380-V425 VanDerWaalsContact O-CB 3.26Å; K380-V425 WeakPolarHBondContact O-CB 3.19Å; K380-V425 WeakPolarHBondContact O-CG2 2.95Å; K380-V425 PolarHBondContact O-N 3.17Å
381P89.9Confident90.9Very high58 Ų5853.3 Ų53.338%0.37728%0.281SS..  trans-69.5137.8170.427.6-33.9000111Y383 I422P381-Y383 HydrophobicContact CB-CE2 4.31Å; P381-I422 CarbonylContact C-O 3.6Å; P381-I422 VanDerWaalsContact CA-O 3.23Å; P381-I422 WeakPolarHBondContact CA-O 3.29Å
382G91.8Very high90.6Very high2 Ų255.2 Ų55.22%0.02129%0.294CS..EExtended strand (participates in β ladder)trans-113.2152177.200000112.4R421 I422G382-R421 CarbonylContact O-C 3.48Å; G382-R421 VanDerWaalsContact O-CA 3.27Å; G382-R421 WeakPolarHBondContact O-CA 3.42Å; G382-I422 PolarHBondContact N-O 2.95Å; G382-I422 PolarHBondContact O-N 2.87Å
383Y95Very high90.3Very high99 Ų9956.6 Ų56.639%0.38830%0.298SS..EExtended strand (participates in β ladder)trans-131.2130.9-176.4-59-90.5000110.8P381 F415 T419 L420 R421P381-Y383 HydrophobicContact CB-CE2 4.31Å; Y383-F415 HydrophobicContact CE1-CE2 4.25Å; Y383-T419 HydrophobicContact CD1-CG2 4.31Å; Y383-L420 CarbonylContact C-O 3.57Å; Y383-L420 WeakPolarHBondContact CA-O 3.18Å; Y383-R421 HydrophobicContact CD1-CB 4Å; Y383-R421 HydrophobicContact CD1-CG 4.13Å; Y383-R421 HydrophobicContact CE1-CB 3.96Å; Y383-R421 HydrophobicContact CE1-CG 3.71Å; Y383-R421 PolarHBondContact OH-NE 2.82Å
384L95.3Very high90Very high3 Ų352 Ų522%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-123127.7174.4-52.8175.9000108.8W398 T419 L420 Y433 V450L384-W398 HydrophobicContact CB-CH2 3.39Å; L384-W398 HydrophobicContact CB-CZ2 3.89Å; L384-W398 HydrophobicContact CB-CZ3 3.91Å; L384-W398 HydrophobicContact CD1-CH2 4.39Å; L384-W398 HydrophobicContact CD1-CZ3 4.04Å; L384-W398 WeakPolarHBondContact O-CZ2 3.34Å; L384-T419 CarbonylContact O-C 3.54Å; L384-T419 VanDerWaalsContact O-CA 3.3Å; L384-T419 WeakPolarHBondContact O-CA 3.3Å; L384-T419 WeakPolarHBondContact O-CG2 3.42Å; L384-L420 HydrophobicContact CB-CB 4.42Å; L384-L420 HydrophobicContact CD1-CD2 4.33Å; L384-L420 PolarHBondContact N-O 3.06Å; L384-L420 PolarHBondContact O-N 3.15Å; L384-Y433 HydrophobicContact CD1-CD1 3.64Å; L384-Y433 HydrophobicContact CD1-CD2 3.95Å; L384-Y433 HydrophobicContact CD1-CE1 4.16Å; L384-Y433 HydrophobicContact CD1-CE2 4.44Å; L384-Y433 HydrophobicContact CD1-CG 3.52Å; L384-V450 HydrophobicContact CD1-CG2 3.77Å; L384-V450 HydrophobicContact CD2-CG2 3.56Å; L384-V450 HydrophobicContact CG-CG2 4.29Å
385H93.9Very high89.9Confident91 Ų9157.8 Ų57.842%0.42130%0.297SS..  trans-99.9136-172.5-59.4-63.2000111.7K370 P371 T419K370-H385 CarbonylContact C-O 3.5Å; P371-H385 WeakPolarHBondContact CA-O 2.92Å; P371-H385 VanDerWaalsContact N-O 3.14Å; H385-T419 WeakPolarHBondContact ND1-CG2 3.4Å; H385-T419 PolarHBondContact ND1-OG1 2.57Å
386C93.4Very high89.9Confident0 Ų055 Ų550%028%0.277CS..  trans-148.666.3175.6-175.90000109.9W367 S369 V396 W398 C435 T437W367-C386 VanDerWaalsContact CH2-SG 3.52Å; W367-C386 WeakPolarHBondContact CZ3-SG 3.38Å; S369-C386 CarbonylContact O-C 3.58Å; S369-C386 WeakPolarHBondContact O-CA 3.38Å; C386-V396 HydrophobicContact CB-CG1 4.27Å; C386-W398 HydrophobicContact CB-CH2 4.02Å; C386-W398 HydrophobicContact CB-CZ2 3.27Å; C386-C435 HydrophobicContact CB-CB 3.59Å; C386-C435 WeakPolarHBondContact CB-SG 3.42Å; C386-C435 WeakPolarHBondContact SG-CB 3.15Å; C386-C435 CovalentContact SG-SG 1.99Å; C386-C435 PolarHBondContact SG-SG 3.13Å; C386-T437 VanDerWaalsContact SG-CG2 3.51Å
387Y93.1Very high90Very high83 Ų8355.2 Ų55.233%0.32528%0.279SS..EExtended strand (participates in β ladder)trans-96.7123.8-177.4-174.6-138.2000110.4V368 S369 N417V368-Y387 HydrophobicContact CB-CD1 3.45Å; V368-Y387 VanDerWaalsContact CB-CD1 3.45Å; V368-Y387 HydrophobicContact CB-CE1 3.84Å; V368-Y387 HydrophobicContact CB-CG 4.15Å; V368-Y387 HydrophobicContact CG1-CD1 3.48Å; V368-Y387 VanDerWaalsContact CG1-CD1 3.48Å; V368-Y387 HydrophobicContact CG1-CE1 3.69Å; V368-Y387 HydrophobicContact CG2-CD1 4Å; V368-Y387 HydrophobicContact CG2-CE1 3.93Å; V368-Y387 PolarHBondContact N-O 3.13Å; S369-Y387 PolarHBondContact N-O 3.09Å; S369-Y387 PolarHBondContact O-N 3.41Å; Y387-N417 WeakPolarHBondContact CA-O 3.26Å; Y387-N417 WeakPolarHBondContact CB-O 3.23Å; Y387-N417 HydrophobicContact CD2-CB 4.07Å; Y387-N417 VanDerWaalsContact CD2-O 3.27Å; Y387-N417 WeakPolarHBondContact CD2-O 3.36Å; Y387-N417 HydrophobicContact CE2-CB 4.43Å
388A92.1Very high90.3Very high2 Ų252 Ų522%0.01726%0.261CS..EExtended strand (participates in β ladder)trans-127.8149173.800000110P365 V366 W367 P394 T437P365-A388 HydrophobicContact CB-CB 4.2Å; V366-A388 CarbonylContact O-C 3.39Å; V366-A388 WeakPolarHBondContact O-CA 3.46Å; V366-A388 WeakPolarHBondContact O-CB 3.41Å; W367-A388 HydrophobicContact CE3-CB 4.36Å; A388-P394 HydrophobicContact CB-CG 4.1Å; A388-P394 VanDerWaalsContact O-CG 3.28Å; A388-P394 WeakPolarHBondContact O-CG 3.36Å; A388-T437 HydrophobicContact CB-CG2 4.11Å
389Q91.3Very high90.8Very high125 Ų12553.4 Ų53.458%0.58427%0.266SS*.EExtended strand (participates in β ladder)trans-105.3134175.2-175.7173.95.200109.5P365 V366 V368P365-Q389 WeakPolarHBondContact CA-O 3.24Å; V366-Q389 PolarHBondContact N-O 3.48Å; V366-Q389 PolarHBondContact O-N 3.16Å; V368-Q389 HydrophobicContact CG2-CB 3.81Å
390A89.6Confident91.4Very high10 Ų1053.4 Ų53.48%0.08326%0.256CS..  trans-158.8162.5171.500000110.3P365 P392 Q393 P394 T439P365-A390 HydrophobicContact CB-CB 4.19Å; A390-P392 CarbonylContact C-O 3.5Å; A390-P392 VanDerWaalsContact C-O 3.26Å; A390-P392 WeakPolarHBondContact CB-O 3.37Å; A390-P392 CarbonylContact O-C 3.5Å; A390-P392 VanDerWaalsContact O-C 3.28Å; A390-Q393 PolarHBondContact O-N 3.26Å; A390-P394 HydrophobicContact CB-CB 4.47Å; A390-P394 HydrophobicContact CB-CG 4.35Å; A390-T439 HydrophobicContact CB-CG2 3.41Å; A390-T439 VanDerWaalsContact CB-CG2 3.41Å
391N87.6Confident91.3Very high46 Ų4652.9 Ų52.925%0.24626%0.258CS..SBendtrans-111126.2164-176.711.9000108A362 T363A362-N391 CarbonylContact C-O 3.55Å; A362-N391 WeakPolarHBondContact CA-O 3.23Å; T363-N391 HydrophobicContact CG2-CB 4.34Å; T363-N391 PolarHBondContact N-O 2.81Å; T363-N391 PolarHBondContact OG1-N 3.16Å
392P87.1Confident90.8Very high48 Ų4853.3 Ų53.331%0.31227%0.273SS..SBendcis-61.9168.2-18.631.3-35.2000111.2A390A390-P392 CarbonylContact C-O 3.5Å; A390-P392 VanDerWaalsContact C-O 3.26Å; A390-P392 WeakPolarHBondContact CB-O 3.37Å; A390-P392 CarbonylContact O-C 3.5Å; A390-P392 VanDerWaalsContact O-C 3.28Å
393Q87.4Confident90.3Very high135 Ų13559.8 Ų59.863%0.63131%0.305SS*.PPolyproline II helixtrans-52.6133.7180-72.5-70-1000111.3A390A390-Q393 PolarHBondContact O-N 3.26Å
394P90.2Very high90.1Very high17 Ų1760.5 Ų60.511%0.1131%0.311CS..PPolyproline II helixtrans-71.9141.8-17628.3-32.1000111.9P365 A388 A390 R438 T439P365-P394 HydrophobicContact CB-CB 4.35Å; A388-P394 HydrophobicContact CB-CG 4.1Å; A388-P394 VanDerWaalsContact O-CG 3.28Å; A388-P394 WeakPolarHBondContact O-CG 3.36Å; A390-P394 HydrophobicContact CB-CB 4.47Å; A390-P394 HydrophobicContact CB-CG 4.35Å; P394-R438 CarbonylContact C-O 3.4Å; P394-R438 VanDerWaalsContact CA-O 3.3Å; P394-R438 WeakPolarHBondContact CA-O 3.27Å; P394-T439 HydrophobicContact CB-CG2 3.54Å
395E91.6Very high89.7Confident153 Ų15361.3 Ų61.372%0.71532%0.316SS*.EExtended strand (participates in β ladder)trans-78137.5166.5-68.5-176.917400109.6T437 R438E395-T437 CarbonylContact O-C 3.53Å; E395-T437 VanDerWaalsContact O-CA 3.25Å; E395-T437 WeakPolarHBondContact O-CA 3.39Å; E395-R438 PolarHBondContact N-O 2.82Å; E395-R438 PolarHBondContact O-N 2.83Å
396V92.9Very high89.1Confident24 Ų2461.8 Ų61.815%0.14532%0.32CS..EExtended strand (participates in β ladder)trans-116.4121.9-176.4-176.60000109.8C386 L414 C435 T437C386-V396 HydrophobicContact CB-CG1 4.27Å; V396-L414 WeakPolarHBondContact O-CD2 3.39Å; V396-C435 WeakPolarHBondContact CG1-SG 3.26Å; V396-T437 HydrophobicContact CB-CG2 4.39Å; V396-T437 HydrophobicContact CG1-CG2 4.13Å; V396-T437 HydrophobicContact CG2-CG2 3.79Å
397T93.9Very high87.9Confident22 Ų2266.8 Ų66.814%0.13535%0.353CS..EExtended strand (participates in β ladder)trans-112.3130.1174.8-45.70000109.2Y399 E404 C435 E436 R438T397-Y399 HydrophobicContact CG2-CE1 4.45Å; T397-Y399 HydrophobicContact CG2-CE2 3.82Å; T397-E404 HydrophobicContact CG2-CG 3.7Å; T397-E404 VanDerWaalsContact CG2-OE1 3.26Å; T397-E404 WeakPolarHBondContact CG2-OE1 2.95Å; T397-C435 CarbonylContact O-C 3.48Å; T397-C435 WeakPolarHBondContact O-CA 3.43Å; T397-E436 PolarHBondContact N-O 2.66Å; T397-E436 PolarHBondContact O-N 3.36Å; T397-R438 PolarHBondContact OG1-NH2 2.79Å
398W95.1Very high86.9Confident4 Ų470.4 Ų70.42%0.01537%0.373CS..EExtended strand (participates in β ladder)trans-102.7149172.5-80.486.8000111.6P371 L384 C386 I405 G418 L420 G434 C435P371-W398 HydrophobicContact CB-CH2 3.93Å; P371-W398 HydrophobicContact CB-CZ3 4.36Å; L384-W398 HydrophobicContact CB-CH2 3.39Å; L384-W398 HydrophobicContact CB-CZ2 3.89Å; L384-W398 HydrophobicContact CB-CZ3 3.91Å; L384-W398 HydrophobicContact CD1-CH2 4.39Å; L384-W398 HydrophobicContact CD1-CZ3 4.04Å; L384-W398 WeakPolarHBondContact O-CZ2 3.34Å; C386-W398 HydrophobicContact CB-CH2 4.02Å; C386-W398 HydrophobicContact CB-CZ2 3.27Å; W398-I405 HydrophobicContact CB-CB 4.45Å; W398-I405 HydrophobicContact CB-CD1 4.01Å; W398-I405 HydrophobicContact CB-CG1 4.47Å; W398-I405 PolarHBondContact O-N 2.88Å; W398-G418 PolarHBondContact NE1-O 2.79Å; W398-L420 HydrophobicContact CB-CD1 4.33Å; W398-L420 HydrophobicContact CB-CD2 4.1Å; W398-L420 HydrophobicContact CD2-CB 3.83Å; W398-L420 HydrophobicContact CD2-CD2 3.98Å; W398-L420 HydrophobicContact CD2-CG 4.44Å; W398-L420 HydrophobicContact CE3-CD2 4.15Å; W398-L420 HydrophobicContact CG-CB 3.94Å; W398-L420 HydrophobicContact CG-CD1 4.25Å; W398-L420 HydrophobicContact CG-CD2 3.99Å; W398-L420 HydrophobicContact CG-CG 4.29Å; W398-L420 HydrophobicContact CZ2-CB 4.11Å; W398-G434 CarbonylContact C-O 3.54Å; W398-G434 WeakPolarHBondContact CA-O 3.28Å; W398-G434 VanDerWaalsContact CE3-O 3.26Å; W398-C435 HydrophobicContact CD2-CB 3.91Å; W398-C435 HydrophobicContact CE3-CB 3.91Å; W398-C435 HydrophobicContact CH2-CB 4.06Å; W398-C435 HydrophobicContact CZ2-CB 4.07Å; W398-C435 HydrophobicContact CZ3-CB 3.96Å
399Y92.6Very high86Confident48 Ų4873.5 Ų73.519%0.18839%0.389CS..EExtended strand (participates in β ladder)trans-127.9138.6179.6-61.3-91000109T397 M403 E404 Y433 G434 E436 R438T397-Y399 HydrophobicContact CG2-CE1 4.45Å; T397-Y399 HydrophobicContact CG2-CE2 3.82Å; Y399-M403 CarbonylContact C-O 3.58Å; Y399-M403 WeakPolarHBondContact CA-O 3.46Å; Y399-E404 HydrophobicContact CD1-CB 4.09Å; Y399-E404 HydrophobicContact CE1-CB 3.91Å; Y399-E404 HydrophobicContact CE1-CG 4.41Å; Y399-Y433 CarbonylContact O-C 3.59Å; Y399-Y433 VanDerWaalsContact O-CA 3.24Å; Y399-Y433 WeakPolarHBondContact O-CA 3.46Å; Y399-G434 PolarHBondContact N-O 3.07Å; Y399-G434 PolarHBondContact O-N 3.06Å; Y399-E436 HydrophobicContact CE2-CB 3.86Å; Y399-R438 PolarHBondContact OH-NH2 2.94Å
400R89.8Confident85.4Confident35 Ų3572.8 Ų72.813%0.13240%0.398CS..EExtended strand (participates in β ladder)trans-116.9119.2169.5177.9179159.9170.8-9.3108.6G402 M403 I405 Y428 D429 Q431 Y433 E790R400-G402 PolarHBondContact O-N 3.36Å; R400-M403 PolarHBondContact N-O 2.8Å; R400-M403 PolarHBondContact O-N 2.85Å; R400-I405 HydrophobicContact CB-CD1 4.01Å; R400-I405 HydrophobicContact CB-CG1 4.04Å; R400-Y428 PolarHBondContact NH2-O 2.97Å; R400-D429 IonicContact CZ-OD1 2.66Å; R400-D429 IonicContact NH1-OD1 3.17Å; R400-D429 PolarHBondContact NH1-OD1 3.17Å; R400-Q431 HydrophobicContact CG-CB 4.38Å; R400-Y433 HydrophobicContact CB-CD1 4.24Å; R400-Y433 HydrophobicContact CB-CE1 3.98Å; R400-Y433 HydrophobicContact CG-CE1 4Å; R400-E790 IonicContact NH2-OE2 2.57Å; R400-E790 PolarHBondContact NH2-OE2 2.81Å
401N83.5Confident84.9Confident105 Ų10574.1 Ų74.156%0.56140%0.4SS*.THydrogen-bonded Turntrans49.939-175.3-162.930.9000113.3M403 M432N401-M403 VanDerWaalsContact C-N 3.28Å; N401-M403 PolarHBondContact O-N 2.85Å; N401-M432 PolarHBondContact N-O 3.31Å
402G78.9Confident85Confident67 Ų6773 Ų7369%0.69139%0.393SS*.THydrogen-bonded Turntrans81.3-7.5-178.600000115.8R400R400-G402 PolarHBondContact O-N 3.36Å
403M83.1Confident85Confident139 Ų13975.7 Ų75.769%0.68540%0.4SS*.EExtended strand (participates in β ladder)trans-92.9135.2174.4-64.9-173.9-72.100110.9Y399 R400 N401Y399-M403 CarbonylContact C-O 3.58Å; Y399-M403 WeakPolarHBondContact CA-O 3.46Å; R400-M403 PolarHBondContact N-O 2.8Å; R400-M403 PolarHBondContact O-N 2.85Å; N401-M403 VanDerWaalsContact C-N 3.28Å; N401-M403 PolarHBondContact O-N 2.85Å
404E89Confident85.2Confident113 Ų11373.1 Ų73.153%0.52839%0.39SS..EExtended strand (participates in β ladder)trans-64.9134.3178.8-176.9170.1-175.200111.4T397 Y399 I406T397-E404 HydrophobicContact CG2-CG 3.7Å; T397-E404 VanDerWaalsContact CG2-OE1 3.26Å; T397-E404 WeakPolarHBondContact CG2-OE1 2.95Å; Y399-E404 HydrophobicContact CD1-CB 4.09Å; Y399-E404 HydrophobicContact CE1-CB 3.91Å; Y399-E404 HydrophobicContact CE1-CG 4.41Å; E404-I406 PolarHBondContact O-N 2.85Å
405I87.7Confident85.2Confident20 Ų2075.5 Ų75.510%0.10340%0.399CS..  trans-84.8113.3173.9-58.3179.7000108W398 R400 F412 L420 Y433W398-I405 HydrophobicContact CB-CB 4.45Å; W398-I405 HydrophobicContact CB-CD1 4.01Å; W398-I405 HydrophobicContact CB-CG1 4.47Å; W398-I405 PolarHBondContact O-N 2.88Å; R400-I405 HydrophobicContact CB-CD1 4.01Å; R400-I405 HydrophobicContact CB-CG1 4.04Å; I405-F412 HydrophobicContact CD1-CD1 4.35Å; I405-F412 HydrophobicContact CD1-CE1 4.25Å; I405-F412 HydrophobicContact CD1-CZ 4.37Å; I405-F412 HydrophobicContact CG2-CB 3.85Å; I405-F412 HydrophobicContact CG2-CD1 4.41Å; I405-F412 HydrophobicContact CG2-CD2 3.44Å; I405-F412 VanDerWaalsContact CG2-CD2 3.44Å; I405-F412 HydrophobicContact CG2-CE2 4.05Å; I405-F412 HydrophobicContact CG2-CG 3.64Å; I405-L420 HydrophobicContact CD1-CD1 4.45Å; I405-L420 HydrophobicContact CD1-CD2 3.55Å; I405-Y433 HydrophobicContact CD1-CD1 4.15Å; I405-Y433 HydrophobicContact CD1-CE1 4.06Å
406I80.5Confident84.9Confident102 Ų10274.8 Ų74.852%0.52341%0.408SS..  trans-78.6133.8-175.9-60.2171.1000109.7E404 E408 D409E404-I406 PolarHBondContact O-N 2.85Å; I406-E408 HydrophobicContact CG2-CB 4.37Å; I406-E408 WeakPolarHBondContact CG2-OE2 3.29Å; I406-E408 PolarHBondContact O-N 2.84Å; I406-E408 VanDerWaalsContact O-N 3.15Å; I406-D409 WeakPolarHBondContact O-CB 3.43Å; I406-D409 PolarHBondContact O-N 2.89Å
407P69.4Low84.7Confident104 Ų10477.1 Ų77.168%0.67542%0.419SS*.THydrogen-bonded Turntrans-58.2-26.4-177.1-26.835.4000115.7D409P407-D409 PolarHBondContact O-N 3.36Å
408E71.6Confident84.5Confident160 Ų16076.1 Ų76.175%0.74841%0.413SS*.THydrogen-bonded Turntrans-75.4-8.1178.3-67.273-161.400113.9I406 S410I406-E408 HydrophobicContact CG2-CB 4.37Å; I406-E408 WeakPolarHBondContact CG2-OE2 3.29Å; I406-E408 PolarHBondContact O-N 2.84Å; I406-E408 VanDerWaalsContact O-N 3.15Å; E408-S410 PolarHBondContact O-N 3.49Å; E408-S410 VanDerWaalsContact O-N 3.13Å
409D73.1Confident84.4Confident66 Ų6676.2 Ų76.235%0.35341%0.414SS..  trans-71.1107.6176.5-171.9-15.5000110.7I406 P407 R411 F412I406-D409 WeakPolarHBondContact O-CB 3.43Å; I406-D409 PolarHBondContact O-N 2.89Å; P407-D409 PolarHBondContact O-N 3.36Å; D409-R411 PolarHBondContact O-N 2.92Å; D409-R411 WeakPolarHBondContact OD1-CB 3.45Å; D409-R411 PolarHBondContact OD1-N 3.5Å; D409-F412 HydrophobicContact CB-CD2 4.13Å; D409-F412 PolarHBondContact O-N 2.88Å; D409-F412 VanDerWaalsContact O-O 3.04Å; D409-F412 WeakPolarHBondContact OD2-CD2 3.45Å; D409-F412 WeakPolarHBondContact OD2-CE2 3.2Å
410S78.8Confident84.5Confident110 Ų11074.1 Ų74.177%0.76941%0.406SS*.THydrogen-bonded Turntrans-55.3-16.3177.364.60000115E408 N423E408-S410 PolarHBondContact O-N 3.49Å; E408-S410 VanDerWaalsContact O-N 3.13Å; S410-N423 PolarHBondContact O-ND2 3.49Å
411R79.6Confident84.7Confident38 Ų3875.7 Ų75.714%0.14341%0.413CS..THydrogen-bonded Turntrans-72.2-31.8175.5-172.6-177.9-171.676.710.9112.6D409 N423 N424 E426 Y428 D429D409-R411 PolarHBondContact O-N 2.92Å; D409-R411 WeakPolarHBondContact OD1-CB 3.45Å; D409-R411 PolarHBondContact OD1-N 3.5Å; R411-N423 WeakPolarHBondContact O-CB 3.49Å; R411-N423 PolarHBondContact O-N 3.07Å; R411-N423 PolarHBondContact O-ND2 3.28Å; R411-N424 PolarHBondContact NH2-O 2.95Å; R411-E426 IonicContact CZ-OE1 3.17Å; R411-E426 IonicContact NH1-OE1 3.7Å; R411-E426 PolarHBondContact NH1-OE1 3.11Å; R411-E426 IonicContact NH2-OE1 3.07Å; R411-E426 PolarHBondContact NH2-OE1 1.99Å; R411-Y428 VanDerWaalsContact CZ-OH 3.28Å; R411-Y428 PolarHBondContact NH1-OH 2.82Å; R411-Y428 PolarHBondContact NH2-OH 3.24Å; R411-D429 IonicContact CZ-OD1 2.76Å; R411-D429 IonicContact CZ-OD2 3.92Å; R411-D429 IonicContact NE-OD1 3.97Å; R411-D429 PolarHBondContact NE-OD1 2.83Å; R411-D429 IonicContact NE-OD2 2.71Å; R411-D429 VanDerWaalsContact NH2-CG 3.28Å; R411-D429 IonicContact NH2-OD1 3.75Å; R411-D429 PolarHBondContact NH2-OD1 2.77Å; R411-D429 VanDerWaalsContact NH2-OD1 3.14Å; R411-D429 IonicContact NH2-OD2 3.95Å; R411-D429 PolarHBondContact NH2-OD2 2.99Å
412F88.3Confident85.1Confident22 Ų2270.7 Ų70.710%0.09639%0.386CS..EExtended strand (participates in β ladder)trans-114.4150.8-173.6-57.9-77.4000111.3I405 D409 L420 R421 I422 Y433I405-F412 HydrophobicContact CD1-CD1 4.35Å; I405-F412 HydrophobicContact CD1-CE1 4.25Å; I405-F412 HydrophobicContact CD1-CZ 4.37Å; I405-F412 HydrophobicContact CG2-CB 3.85Å; I405-F412 HydrophobicContact CG2-CD1 4.41Å; I405-F412 HydrophobicContact CG2-CD2 3.44Å; I405-F412 VanDerWaalsContact CG2-CD2 3.44Å; I405-F412 HydrophobicContact CG2-CE2 4.05Å; I405-F412 HydrophobicContact CG2-CG 3.64Å; D409-F412 HydrophobicContact CB-CD2 4.13Å; D409-F412 PolarHBondContact O-N 2.88Å; D409-F412 VanDerWaalsContact O-O 3.04Å; D409-F412 WeakPolarHBondContact OD2-CD2 3.45Å; D409-F412 WeakPolarHBondContact OD2-CE2 3.2Å; F412-L420 HydrophobicContact CB-CD1 3.99Å; F412-L420 HydrophobicContact CD1-CD1 4.3Å; F412-L420 HydrophobicContact CD1-CD2 4.16Å; F412-L420 HydrophobicContact CD1-CG 4.32Å; F412-L420 HydrophobicContact CG-CD1 4.45Å; F412-R421 CarbonylContact C-O 3.58Å; F412-R421 VanDerWaalsContact CA-O 3.32Å; F412-R421 WeakPolarHBondContact CA-O 3.19Å; F412-I422 HydrophobicContact CD1-CG1 4.1Å; F412-I422 HydrophobicContact CE1-CD1 4.46Å; F412-I422 HydrophobicContact CE1-CG1 3.97Å; F412-I422 HydrophobicContact CE1-CG2 4.32Å; F412-Y433 HydrophobicContact CE1-CE1 4.34Å
413K88.4Confident85.3Confident105 Ų10570 Ų7046%0.45737%0.366SS..EExtended strand (participates in β ladder)trans-135.4117.5171.8-179.4175.3-178.4174.60109.3F415 R421K413-F415 HydrophobicContact CD-CE1 4.3Å; K413-F415 HydrophobicContact CD-CZ 4.16Å; K413-R421 HydrophobicContact CB-CB 4.28Å; K413-R421 PolarHBondContact N-O 2.8Å; K413-R421 PolarHBondContact O-N 2.83Å
414L90.8Very high85.2Confident81 Ų8166.9 Ų66.942%0.42435%0.352SS..EExtended strand (participates in β ladder)trans-88.5128.1174.2-173.262.4000109.9V396V396-L414 WeakPolarHBondContact O-CD2 3.39Å
415F90.3Very high84.9Confident68 Ų6861.5 Ų61.530%0.29833%0.327SS..  trans-93155.2173.8-70.1-75.5000111.4Y383 K413 N417 G418 T419 R421Y383-F415 HydrophobicContact CE1-CE2 4.25Å; K413-F415 HydrophobicContact CD-CE1 4.3Å; K413-F415 HydrophobicContact CD-CZ 4.16Å; F415-N417 WeakPolarHBondContact CB-OD1 3.14Å; F415-N417 PolarHBondContact O-N 3.05Å; F415-G418 PolarHBondContact O-N 3.18Å; F415-T419 HydrophobicContact CD2-CG2 4.21Å; F415-T419 WeakPolarHBondContact CD2-O 3.32Å; F415-T419 PolarHBondContact N-O 3.1Å; F415-R421 HydrophobicContact CD2-CB 4.47Å; F415-R421 HydrophobicContact CE2-CB 3.76Å
416P86.4Confident84.4Confident137 Ų13762.2 Ų62.289%0.8933%0.33SS*.THydrogen-bonded Turntrans-57.6-24.7179.9-26.535000114.9G418P416-G418 PolarHBondContact O-N 3.39Å
417N87.4Confident84Confident73 Ų7359.3 Ų59.339%0.3932%0.317SS..THydrogen-bonded Turntrans-82.110.3175.470.6-4.4000113.5Y387 F415 T419Y387-N417 WeakPolarHBondContact CA-O 3.26Å; Y387-N417 WeakPolarHBondContact CB-O 3.23Å; Y387-N417 HydrophobicContact CD2-CB 4.07Å; Y387-N417 VanDerWaalsContact CD2-O 3.27Å; Y387-N417 WeakPolarHBondContact CD2-O 3.36Å; Y387-N417 HydrophobicContact CE2-CB 4.43Å; F415-N417 WeakPolarHBondContact CB-OD1 3.14Å; F415-N417 PolarHBondContact O-N 3.05Å; N417-T419 VanDerWaalsContact C-N 3.3Å; N417-T419 PolarHBondContact ND2-OG1 3.34Å; N417-T419 PolarHBondContact O-N 2.91Å; N417-T419 WeakPolarHBondContact OD1-CB 3.41Å; N417-T419 PolarHBondContact OD1-N 2.98Å; N417-T419 PolarHBondContact OD1-OG1 2.64Å
418G89.6Confident84.1Confident1 Ų155.7 Ų55.71%0.0129%0.29CS..SBendtrans78.74.7-178.600000115.2W398 F415 P416W398-G418 PolarHBondContact NE1-O 2.79Å; F415-G418 PolarHBondContact O-N 3.18Å; P416-G418 PolarHBondContact O-N 3.39Å
419T93.5Very high84.5Confident6 Ų648 Ų484%0.03725%0.254CS..PPolyproline II helixtrans-74.4127.6176-60.90000110.6Y383 L384 H385 F415 N417Y383-T419 HydrophobicContact CD1-CG2 4.31Å; L384-T419 CarbonylContact O-C 3.54Å; L384-T419 VanDerWaalsContact O-CA 3.3Å; L384-T419 WeakPolarHBondContact O-CA 3.3Å; L384-T419 WeakPolarHBondContact O-CG2 3.42Å; H385-T419 WeakPolarHBondContact ND1-CG2 3.4Å; H385-T419 PolarHBondContact ND1-OG1 2.57Å; F415-T419 HydrophobicContact CD2-CG2 4.21Å; F415-T419 WeakPolarHBondContact CD2-O 3.32Å; F415-T419 PolarHBondContact N-O 3.1Å; N417-T419 VanDerWaalsContact C-N 3.3Å; N417-T419 PolarHBondContact ND2-OG1 3.34Å; N417-T419 PolarHBondContact O-N 2.91Å; N417-T419 WeakPolarHBondContact OD1-CB 3.41Å; N417-T419 PolarHBondContact OD1-N 2.98Å; N417-T419 PolarHBondContact OD1-OG1 2.64Å
420L94.9Very high85Confident4 Ų447.4 Ų47.42%0.02126%0.255CS..EExtended strand (participates in β ladder)trans-91.2124.6170.5-173.773000109.6Y383 L384 W398 I405 F412 Y433Y383-L420 CarbonylContact C-O 3.57Å; Y383-L420 WeakPolarHBondContact CA-O 3.18Å; L384-L420 HydrophobicContact CB-CB 4.42Å; L384-L420 HydrophobicContact CD1-CD2 4.33Å; L384-L420 PolarHBondContact N-O 3.06Å; L384-L420 PolarHBondContact O-N 3.15Å; W398-L420 HydrophobicContact CB-CD1 4.33Å; W398-L420 HydrophobicContact CB-CD2 4.1Å; W398-L420 HydrophobicContact CD2-CB 3.83Å; W398-L420 HydrophobicContact CD2-CD2 3.98Å; W398-L420 HydrophobicContact CD2-CG 4.44Å; W398-L420 HydrophobicContact CE3-CD2 4.15Å; W398-L420 HydrophobicContact CG-CB 3.94Å; W398-L420 HydrophobicContact CG-CD1 4.25Å; W398-L420 HydrophobicContact CG-CD2 3.99Å; W398-L420 HydrophobicContact CG-CG 4.29Å; W398-L420 HydrophobicContact CZ2-CB 4.11Å; I405-L420 HydrophobicContact CD1-CD1 4.45Å; I405-L420 HydrophobicContact CD1-CD2 3.55Å; F412-L420 HydrophobicContact CB-CD1 3.99Å; F412-L420 HydrophobicContact CD1-CD1 4.3Å; F412-L420 HydrophobicContact CD1-CD2 4.16Å; F412-L420 HydrophobicContact CD1-CG 4.32Å; F412-L420 HydrophobicContact CG-CD1 4.45Å; L420-Y433 HydrophobicContact CD2-CD1 4.05Å; L420-Y433 HydrophobicContact CD2-CE1 4.2Å
421R93.9Very high85.5Confident69 Ų6944.6 Ų44.626%0.2623%0.23SC..EExtended strand (participates in β ladder)trans-101128.3167.8176.4-174.7-169.7-128.87.7110.3G382 Y383 F412 K413 F415 N423G382-R421 CarbonylContact O-C 3.48Å; G382-R421 VanDerWaalsContact O-CA 3.27Å; G382-R421 WeakPolarHBondContact O-CA 3.42Å; Y383-R421 HydrophobicContact CD1-CB 4Å; Y383-R421 HydrophobicContact CD1-CG 4.13Å; Y383-R421 HydrophobicContact CE1-CB 3.96Å; Y383-R421 HydrophobicContact CE1-CG 3.71Å; Y383-R421 PolarHBondContact OH-NE 2.82Å; F412-R421 CarbonylContact C-O 3.58Å; F412-R421 VanDerWaalsContact CA-O 3.32Å; F412-R421 WeakPolarHBondContact CA-O 3.19Å; K413-R421 HydrophobicContact CB-CB 4.28Å; K413-R421 PolarHBondContact N-O 2.8Å; K413-R421 PolarHBondContact O-N 2.83Å; F415-R421 HydrophobicContact CD2-CB 4.47Å; F415-R421 HydrophobicContact CE2-CB 3.76Å; R421-N423 PolarHBondContact NH1-OD1 3.5Å
422I91.9Very high86Confident0 Ų045.8 Ų45.80%024%0.237CC..EExtended strand (participates in β ladder)trans-89.7115.4165.1-49.8-178.7000106.1L376 P381 G382 F412 N424 V425 D429 Y433L376-I422 HydrophobicContact CD1-CD1 4.04Å; P381-I422 CarbonylContact C-O 3.6Å; P381-I422 VanDerWaalsContact CA-O 3.23Å; P381-I422 WeakPolarHBondContact CA-O 3.29Å; G382-I422 PolarHBondContact N-O 2.95Å; G382-I422 PolarHBondContact O-N 2.87Å; F412-I422 HydrophobicContact CD1-CG1 4.1Å; F412-I422 HydrophobicContact CE1-CD1 4.46Å; F412-I422 HydrophobicContact CE1-CG1 3.97Å; F412-I422 HydrophobicContact CE1-CG2 4.32Å; I422-N424 PolarHBondContact O-N 3.13Å; I422-V425 HydrophobicContact CB-CG2 4.01Å; I422-V425 HydrophobicContact CG2-CG2 3.99Å; I422-D429 HydrophobicContact CD1-CB 4.22Å; I422-D429 WeakPolarHBondContact CG2-OD2 3.49Å; I422-Y433 HydrophobicContact CD1-CE1 4.39Å
423N83.1Confident86.3Confident51 Ų5144.8 Ų44.827%0.27323%0.233SC..SBendtrans-66.5-40.5-170.6-74.1-30.8000112.7S410 R411 R421S410-N423 PolarHBondContact O-ND2 3.49Å; R411-N423 WeakPolarHBondContact O-CB 3.49Å; R411-N423 PolarHBondContact O-N 3.07Å; R411-N423 PolarHBondContact O-ND2 3.28Å; R421-N423 PolarHBondContact NH1-OD1 3.5Å
424N81.3Confident86.6Confident74 Ų7440.2 Ų40.240%0.39622%0.216SC..SBendtrans-137.5104.6175.3-17948.4000108.7G379 R411 I422 E426G379-N424 VanDerWaalsContact CA-OD1 3.28Å; G379-N424 WeakPolarHBondContact CA-OD1 3.34Å; G379-N424 PolarHBondContact O-OD1 3.46Å; R411-N424 PolarHBondContact NH2-O 2.95Å; I422-N424 PolarHBondContact O-N 3.13Å; N424-E426 PolarHBondContact O-N 2.95Å
425V82.2Confident86.8Confident1 Ų136.5 Ų36.51%0.00620%0.196CC..  trans-69.8127.3-178.1172.90000109.7L376 D377 E378 G379 K380 I422 D429 V452L376-V425 HydrophobicContact CB-CG1 3.87Å; L376-V425 HydrophobicContact CB-CG2 4.12Å; L376-V425 HydrophobicContact CD1-CG2 4.05Å; D377-V425 WeakPolarHBondContact O-CB 3.23Å; E378-V425 CarbonylContact C-O 3.59Å; E378-V425 WeakPolarHBondContact CA-O 3.27Å; G379-V425 PolarHBondContact N-O 3.32Å; K380-V425 VanDerWaalsContact O-CB 3.26Å; K380-V425 WeakPolarHBondContact O-CB 3.19Å; K380-V425 WeakPolarHBondContact O-CG2 2.95Å; K380-V425 PolarHBondContact O-N 3.17Å; I422-V425 HydrophobicContact CB-CG2 4.01Å; I422-V425 HydrophobicContact CG2-CG2 3.99Å; V425-D429 WeakPolarHBondContact CA-OD2 3.46Å; V425-V452 HydrophobicContact CG1-CB 4.34Å; V425-V452 HydrophobicContact CG1-CG1 3.71Å; V425-V452 HydrophobicContact CG1-CG2 3.71Å
426E78.4Confident87Confident35 Ų3534.6 Ų34.616%0.16419%0.189CC..  trans-120.2160.9175.6-65171.9-128.500109.9R411 N424 Y428 D429 V452R411-E426 IonicContact CZ-OE1 3.17Å; R411-E426 IonicContact NH1-OE1 3.7Å; R411-E426 PolarHBondContact NH1-OE1 3.11Å; R411-E426 IonicContact NH2-OE1 3.07Å; R411-E426 PolarHBondContact NH2-OE1 1.99Å; N424-E426 PolarHBondContact O-N 2.95Å; E426-Y428 HydrophobicContact CB-CD1 3.97Å; E426-Y428 HydrophobicContact CB-CD2 4.38Å; E426-Y428 HydrophobicContact CB-CE1 3.6Å; E426-Y428 HydrophobicContact CB-CE2 4.15Å; E426-Y428 HydrophobicContact CB-CG 4.35Å; E426-Y428 HydrophobicContact CG-CE1 4.26Å; E426-Y428 PolarHBondContact O-N 2.73Å; E426-Y428 PolarHBondContact OE1-OH 3.4Å; E426-Y428 WeakPolarHBondContact OE2-CE1 3.41Å; E426-Y428 PolarHBondContact OE2-OH 3.3Å; E426-D429 PolarHBondContact N-OD2 3.28Å; E426-D429 WeakPolarHBondContact O-CB 3.48Å; E426-D429 PolarHBondContact O-N 3.28Å; E426-V452 WeakPolarHBondContact O-CG2 3.47Å
427V70.4Confident87.4Confident40 Ų4028.1 Ų28.124%0.24215%0.146CC..G310 helixtrans-50.9-37.5-174.4-173.10000113.1E378 D429 S430 E454E378-V427 HydrophobicContact CG-CG2 4.45Å; V427-D429 VanDerWaalsContact C-N 3.25Å; V427-D429 PolarHBondContact O-N 2.65Å; V427-S430 WeakPolarHBondContact O-CB 3.42Å; V427-S430 PolarHBondContact O-N 3.44Å; V427-E454 HydrophobicContact CB-CG 4.34Å; V427-E454 HydrophobicContact CG1-CG 3.77Å; V427-E454 WeakPolarHBondContact CG1-OE1 3.43Å; V427-E454 HydrophobicContact CG2-CG 3.69Å
428Y71.7Confident87.5Confident28 Ų2828.6 Ų28.611%0.1114%0.143CC..G310 helixtrans-75-8.7179.754.4-109.7000114.9R400 R411 E426 S430 Q431 E790 R797R400-Y428 PolarHBondContact NH2-O 2.97Å; R411-Y428 VanDerWaalsContact CZ-OH 3.28Å; R411-Y428 PolarHBondContact NH1-OH 2.82Å; R411-Y428 PolarHBondContact NH2-OH 3.24Å; E426-Y428 HydrophobicContact CB-CD1 3.97Å; E426-Y428 HydrophobicContact CB-CD2 4.38Å; E426-Y428 HydrophobicContact CB-CE1 3.6Å; E426-Y428 HydrophobicContact CB-CE2 4.15Å; E426-Y428 HydrophobicContact CB-CG 4.35Å; E426-Y428 HydrophobicContact CG-CE1 4.26Å; E426-Y428 PolarHBondContact O-N 2.73Å; E426-Y428 PolarHBondContact OE1-OH 3.4Å; E426-Y428 WeakPolarHBondContact OE2-CE1 3.41Å; E426-Y428 PolarHBondContact OE2-OH 3.3Å; Y428-S430 PolarHBondContact O-N 3.29Å; Y428-Q431 WeakPolarHBondContact O-CG 3.33Å; Y428-E790 VanDerWaalsContact CB-CG 3.49Å; Y428-E790 WeakPolarHBondContact CB-OE1 3.45Å; Y428-E790 HydrophobicContact CG-CG 4.1Å; Y428-R797 PolarHBondContact OH-NH2 3.1Å
429D80.8Confident87.5Confident0 Ų029.8 Ų29.80%015%0.15CC..G310 helixtrans-71.9-2168.9-60.8-39.9000111.2R400 R411 I422 V425 E426 V427 Q431 Y433 V450 V452R400-D429 IonicContact CZ-OD1 2.66Å; R400-D429 IonicContact NH1-OD1 3.17Å; R400-D429 PolarHBondContact NH1-OD1 3.17Å; R411-D429 IonicContact CZ-OD1 2.76Å; R411-D429 IonicContact CZ-OD2 3.92Å; R411-D429 IonicContact NE-OD1 3.97Å; R411-D429 PolarHBondContact NE-OD1 2.83Å; R411-D429 IonicContact NE-OD2 2.71Å; R411-D429 VanDerWaalsContact NH2-CG 3.28Å; R411-D429 IonicContact NH2-OD1 3.75Å; R411-D429 PolarHBondContact NH2-OD1 2.77Å; R411-D429 VanDerWaalsContact NH2-OD1 3.14Å; R411-D429 IonicContact NH2-OD2 3.95Å; R411-D429 PolarHBondContact NH2-OD2 2.99Å; I422-D429 HydrophobicContact CD1-CB 4.22Å; I422-D429 WeakPolarHBondContact CG2-OD2 3.49Å; V425-D429 WeakPolarHBondContact CA-OD2 3.46Å; E426-D429 PolarHBondContact N-OD2 3.28Å; E426-D429 WeakPolarHBondContact O-CB 3.48Å; E426-D429 PolarHBondContact O-N 3.28Å; V427-D429 VanDerWaalsContact C-N 3.25Å; V427-D429 PolarHBondContact O-N 2.65Å; D429-Q431 PolarHBondContact O-N 2.8Å; D429-Y433 VanDerWaalsContact O-CE2 3.25Å; D429-Y433 WeakPolarHBondContact O-CE2 3.19Å; D429-Y433 PolarHBondContact O-OH 3.23Å; D429-V450 WeakPolarHBondContact O-CB 3.38Å; D429-V450 VanDerWaalsContact O-CG1 3.26Å; D429-V450 WeakPolarHBondContact O-CG1 3.44Å; D429-V452 HydrophobicContact CB-CG2 4.03Å
430S84.1Confident87.1Confident52 Ų5234 Ų3436%0.36418%0.175SC..  trans-72.466.7174.1-172.30000112.1V427 Y428 V450V427-S430 WeakPolarHBondContact O-CB 3.42Å; V427-S430 PolarHBondContact O-N 3.44Å; Y428-S430 PolarHBondContact O-N 3.29Å; S430-V450 CarbonylContact C-O 3.52Å; S430-V450 VanDerWaalsContact C-O 3.25Å; S430-V450 WeakPolarHBondContact CA-O 3.41Å; S430-V450 PolarHBondContact OG-O 3.41Å
431Q88Confident86.5Confident52 Ų5234.9 Ų34.924%0.24319%0.185CC..SBendtrans-130.8173.5-172.5-63.7-71.317.800112.1R400 Y428 D429 Y433 V450 E790R400-Q431 HydrophobicContact CG-CB 4.38Å; Y428-Q431 WeakPolarHBondContact O-CG 3.33Å; D429-Q431 PolarHBondContact O-N 2.8Å; Q431-Y433 HydrophobicContact CB-CE2 4.12Å; Q431-Y433 WeakPolarHBondContact O-CD2 3.24Å; Q431-V450 PolarHBondContact N-O 3.41Å; Q431-V450 PolarHBondContact O-N 3.14Å; Q431-E790 PolarHBondContact NE2-OE1 3.24Å
432M90.5Very high86.2Confident62 Ų6233 Ų3331%0.30519%0.187SC..EExtended strand (participates in β ladder)trans-78.1122.6166.2-70.6-60.4-57.500109.9N401 Q447 R449N401-M432 PolarHBondContact N-O 3.31Å; M432-Q447 HydrophobicContact CE-CB 3.97Å; M432-R449 HydrophobicContact SD-CB 3.65Å; M432-R449 HydrophobicContact SD-CG 4.01Å
433Y94.9Very high86.1Confident1 Ų141.8 Ų41.80%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-104.6128.2171.7-71.4-103.7000109.2L384 Y399 R400 I405 F412 L420 I422 D429 Q431 Q447 A448 V450L384-Y433 HydrophobicContact CD1-CD1 3.64Å; L384-Y433 HydrophobicContact CD1-CD2 3.95Å; L384-Y433 HydrophobicContact CD1-CE1 4.16Å; L384-Y433 HydrophobicContact CD1-CE2 4.44Å; L384-Y433 HydrophobicContact CD1-CG 3.52Å; Y399-Y433 CarbonylContact O-C 3.59Å; Y399-Y433 VanDerWaalsContact O-CA 3.24Å; Y399-Y433 WeakPolarHBondContact O-CA 3.46Å; R400-Y433 HydrophobicContact CB-CD1 4.24Å; R400-Y433 HydrophobicContact CB-CE1 3.98Å; R400-Y433 HydrophobicContact CG-CE1 4Å; I405-Y433 HydrophobicContact CD1-CD1 4.15Å; I405-Y433 HydrophobicContact CD1-CE1 4.06Å; F412-Y433 HydrophobicContact CE1-CE1 4.34Å; L420-Y433 HydrophobicContact CD2-CD1 4.05Å; L420-Y433 HydrophobicContact CD2-CE1 4.2Å; I422-Y433 HydrophobicContact CD1-CE1 4.39Å; D429-Y433 VanDerWaalsContact O-CE2 3.25Å; D429-Y433 WeakPolarHBondContact O-CE2 3.19Å; D429-Y433 PolarHBondContact O-OH 3.23Å; Q431-Y433 HydrophobicContact CB-CE2 4.12Å; Q431-Y433 WeakPolarHBondContact O-CD2 3.24Å; Y433-Q447 CarbonylContact O-C 3.59Å; Y433-Q447 VanDerWaalsContact O-CA 3.25Å; Y433-Q447 WeakPolarHBondContact O-CA 3.5Å; Y433-A448 PolarHBondContact N-O 2.7Å; Y433-A448 PolarHBondContact O-N 3.24Å; Y433-V450 HydrophobicContact CD2-CB 3.91Å; Y433-V450 HydrophobicContact CD2-CG2 3.38Å; Y433-V450 HydrophobicContact CE2-CB 3.8Å; Y433-V450 HydrophobicContact CE2-CG1 4.45Å; Y433-V450 HydrophobicContact CE2-CG2 3.62Å; Y433-V450 HydrophobicContact CG-CG2 4.27Å
434G95Very high86.6Confident9 Ų941.5 Ų41.59%0.09322%0.219CC..EExtended strand (participates in β ladder)trans-101.8145.1170.700000109.8W398 Y399 G446W398-G434 CarbonylContact C-O 3.54Å; W398-G434 WeakPolarHBondContact CA-O 3.28Å; W398-G434 VanDerWaalsContact CE3-O 3.26Å; Y399-G434 PolarHBondContact N-O 3.07Å; Y399-G434 PolarHBondContact O-N 3.06Å; G434-G446 CarbonylContact C-O 3.56Å; G434-G446 WeakPolarHBondContact CA-O 3.28Å
435C94.9Very high87.2Confident3 Ų342.1 Ų42.12%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-125.4134.7166.9-179.90000109P371 C386 V396 T397 W398 S445 G446P371-C435 HydrophobicContact CG-CB 4.31Å; C386-C435 HydrophobicContact CB-CB 3.59Å; C386-C435 WeakPolarHBondContact CB-SG 3.42Å; C386-C435 WeakPolarHBondContact SG-CB 3.15Å; C386-C435 CovalentContact SG-SG 1.99Å; C386-C435 PolarHBondContact SG-SG 3.13Å; V396-C435 WeakPolarHBondContact CG1-SG 3.26Å; T397-C435 CarbonylContact O-C 3.48Å; T397-C435 WeakPolarHBondContact O-CA 3.43Å; W398-C435 HydrophobicContact CD2-CB 3.91Å; W398-C435 HydrophobicContact CE3-CB 3.91Å; W398-C435 HydrophobicContact CH2-CB 4.06Å; W398-C435 HydrophobicContact CZ2-CB 4.07Å; W398-C435 HydrophobicContact CZ3-CB 3.96Å; C435-S445 CarbonylContact O-C 2.96Å; C435-S445 VanDerWaalsContact O-CA 3.28Å; C435-S445 WeakPolarHBondContact O-CA 3.44Å; C435-G446 PolarHBondContact N-O 3.45Å; C435-G446 PolarHBondContact O-N 2.88Å
436E94.6Very high87.8Confident29 Ų2942.9 Ų42.914%0.13624%0.237CC..EExtended strand (participates in β ladder)trans-120.5128.1169.2-163.9177.2-44.700109.9T397 Y399 R438 L444T397-E436 PolarHBondContact N-O 2.66Å; T397-E436 PolarHBondContact O-N 3.36Å; Y399-E436 HydrophobicContact CE2-CB 3.86Å; E436-R438 HydrophobicContact CG-CG 4.18Å; E436-R438 IonicContact OE1-CZ 3.65Å; E436-R438 IonicContact OE1-NH1 3.51Å; E436-R438 PolarHBondContact OE1-NH1 3.24Å; E436-R438 VanDerWaalsContact OE1-NH1 3.1Å; E436-R438 VanDerWaalsContact OE2-CD 3.23Å; E436-R438 WeakPolarHBondContact OE2-CD 3.39Å; E436-R438 WeakPolarHBondContact OE2-CG 3.48Å; E436-R438 IonicContact OE2-CZ 2.99Å; E436-R438 IonicContact OE2-NE 3.66Å; E436-R438 PolarHBondContact OE2-NE 3.26Å; E436-R438 IonicContact OE2-NH1 3.25Å; E436-R438 PolarHBondContact OE2-NH1 3.36Å; E436-R438 IonicContact OE2-NH2 2.7Å; E436-L444 CarbonylContact C-O 3.54Å; E436-L444 WeakPolarHBondContact CA-O 3.43Å
437T93.3Very high88.6Confident0 Ų048.1 Ų48.10%026%0.262CS..EExtended strand (participates in β ladder)trans-109.6130.1174.563.30000109W367 C386 A388 E395 V396 R443 L444W367-T437 HydrophobicContact CH2-CG2 4.12Å; W367-T437 HydrophobicContact CZ3-CG2 4.07Å; C386-T437 VanDerWaalsContact SG-CG2 3.51Å; A388-T437 HydrophobicContact CB-CG2 4.11Å; E395-T437 CarbonylContact O-C 3.53Å; E395-T437 VanDerWaalsContact O-CA 3.25Å; E395-T437 WeakPolarHBondContact O-CA 3.39Å; V396-T437 HydrophobicContact CB-CG2 4.39Å; V396-T437 HydrophobicContact CG1-CG2 4.13Å; V396-T437 HydrophobicContact CG2-CG2 3.79Å; T437-R443 CarbonylContact O-C 3.59Å; T437-R443 VanDerWaalsContact O-CA 3.29Å; T437-R443 WeakPolarHBondContact O-CA 3.28Å; T437-L444 PolarHBondContact N-O 3.47Å; T437-L444 PolarHBondContact O-N 3.5Å; T437-L444 WeakPolarHBondContact OG1-CB 3.42Å; T437-L444 PolarHBondContact OG1-O 3.18Å
438R90.9Very high89.7Confident84 Ų8446.3 Ų46.332%0.31725%0.251SS..EExtended strand (participates in β ladder)trans-129.8140.6-171.8-75.1-177.9-99.1-117.9-3.9111.3P394 E395 T397 Y399 E436 R443P394-R438 CarbonylContact C-O 3.4Å; P394-R438 VanDerWaalsContact CA-O 3.3Å; P394-R438 WeakPolarHBondContact CA-O 3.27Å; E395-R438 PolarHBondContact N-O 2.82Å; E395-R438 PolarHBondContact O-N 2.83Å; T397-R438 PolarHBondContact OG1-NH2 2.79Å; Y399-R438 PolarHBondContact OH-NH2 2.94Å; E436-R438 HydrophobicContact CG-CG 4.18Å; E436-R438 IonicContact OE1-CZ 3.65Å; E436-R438 IonicContact OE1-NH1 3.51Å; E436-R438 PolarHBondContact OE1-NH1 3.24Å; E436-R438 VanDerWaalsContact OE1-NH1 3.1Å; E436-R438 VanDerWaalsContact OE2-CD 3.23Å; E436-R438 WeakPolarHBondContact OE2-CD 3.39Å; E436-R438 WeakPolarHBondContact OE2-CG 3.48Å; E436-R438 IonicContact OE2-CZ 2.99Å; E436-R438 IonicContact OE2-NE 3.66Å; E436-R438 PolarHBondContact OE2-NE 3.26Å; E436-R438 IonicContact OE2-NH1 3.25Å; E436-R438 PolarHBondContact OE2-NH1 3.36Å; E436-R438 IonicContact OE2-NH2 2.7Å; R438-R443 HydrophobicContact CG-CB 4.06Å
439T88.5Confident90.8Very high25 Ų2551.8 Ų51.815%0.15327%0.271CS..EExtended strand (participates in β ladder)trans-139169.2170.967.80000107.7P365 A390 P394 G441 G442P365-T439 HydrophobicContact CB-CG2 4.15Å; P365-T439 WeakPolarHBondContact CD-OG1 3.47Å; P365-T439 HydrophobicContact CG-CG2 4.19Å; A390-T439 HydrophobicContact CB-CG2 3.41Å; A390-T439 VanDerWaalsContact CB-CG2 3.41Å; P394-T439 HydrophobicContact CB-CG2 3.54Å; T439-G441 PolarHBondContact O-N 2.8Å; T439-G441 PolarHBondContact OG1-N 3.27Å; T439-G441 VanDerWaalsContact OG1-N 3.09Å; T439-G442 PolarHBondContact N-O 2.83Å; T439-G442 PolarHBondContact O-N 2.72Å; T439-G442 VanDerWaalsContact O-O 3.04Å; T439-G442 PolarHBondContact OG1-N 3.44Å; T439-G442 VanDerWaalsContact OG1-N 3.13Å; T439-G442 PolarHBondContact OG1-O 2.89Å
440V86.4Confident91.4Very high95 Ų9551.8 Ų51.858%0.57627%0.271SS*.THydrogen-bonded Turntrans-61.3-25.9170.6-1590000111.7V285 A362V285-V440 HydrophobicContact CG1-CB 4.07Å; V285-V440 HydrophobicContact CG1-CG1 4.09Å; V285-V440 HydrophobicContact CG1-CG2 4.15Å; A362-V440 HydrophobicContact CB-CB 4.11Å
441G81Confident91.8Very high22 Ų2252.3 Ų52.323%0.22727%0.272CS..THydrogen-bonded Turntrans-83.2-10.417900000115.3T439T439-G441 PolarHBondContact O-N 2.8Å; T439-G441 PolarHBondContact OG1-N 3.27Å; T439-G441 VanDerWaalsContact OG1-N 3.09Å
442G87.4Confident91.8Very high30 Ų3050.5 Ų50.531%0.30927%0.265SS..EExtended strand (participates in β ladder)trans151.4-173.1-179.800000114.4T439T439-G442 PolarHBondContact N-O 2.83Å; T439-G442 PolarHBondContact O-N 2.72Å; T439-G442 VanDerWaalsContact O-O 3.04Å; T439-G442 PolarHBondContact OG1-N 3.44Å; T439-G442 VanDerWaalsContact OG1-N 3.13Å; T439-G442 PolarHBondContact OG1-O 2.89Å
443R91.7Very high91.6Very high185 Ų18548.9 Ų48.970%0.69826%0.257SS*.EExtended strand (participates in β ladder)trans-132.2148.7-177.966.4178.7179.2178-2112.2T437 R438T437-R443 CarbonylContact O-C 3.59Å; T437-R443 VanDerWaalsContact O-CA 3.29Å; T437-R443 WeakPolarHBondContact O-CA 3.28Å; R438-R443 HydrophobicContact CG-CB 4.06Å
444L92.6Very high91.1Very high44 Ų4451 Ų5123%0.2327%0.267CS..EExtended strand (participates in β ladder)trans-130.3134.9168.6-82.7-179.1000109.4P365 W367 E436 T437P365-L444 HydrophobicContact CB-CD1 4.13Å; P365-L444 HydrophobicContact CB-CG 4.36Å; P365-L444 HydrophobicContact CG-CB 4.24Å; P365-L444 HydrophobicContact CG-CD1 4.36Å; P365-L444 HydrophobicContact CG-CG 4.04Å; P365-L444 WeakPolarHBondContact O-CD1 2.93Å; P365-L444 WeakPolarHBondContact O-CG 3.31Å; W367-L444 HydrophobicContact CD2-CD1 4.05Å; W367-L444 HydrophobicContact CG-CD1 3.99Å; W367-L444 HydrophobicContact CH2-CB 4.48Å; W367-L444 HydrophobicContact CZ2-CB 3.85Å; E436-L444 CarbonylContact C-O 3.54Å; E436-L444 WeakPolarHBondContact CA-O 3.43Å; T437-L444 PolarHBondContact N-O 3.47Å; T437-L444 PolarHBondContact O-N 3.5Å; T437-L444 WeakPolarHBondContact OG1-CB 3.42Å; T437-L444 PolarHBondContact OG1-O 3.18Å
445S94.1Very high90.5Very high87 Ų8757.4 Ų57.461%0.60829%0.288SS*.EExtended strand (participates in β ladder)trans-124.8146.9175.958.30000111.7C435C435-S445 CarbonylContact O-C 2.96Å; C435-S445 VanDerWaalsContact O-CA 3.28Å; C435-S445 WeakPolarHBondContact O-CA 3.44Å
446G93.8Very high90Very high18 Ų1858 Ų5819%0.18629%0.291CS..EExtended strand (participates in β ladder)trans-146.2158.3178.100000110.4G434 C435G434-G446 CarbonylContact C-O 3.56Å; G434-G446 WeakPolarHBondContact CA-O 3.28Å; C435-G446 PolarHBondContact N-O 3.45Å; C435-G446 PolarHBondContact O-N 2.88Å
447Q94.9Very high89.4Confident145 Ų14558 Ų5868%0.67829%0.291SS*.EExtended strand (participates in β ladder)trans-135.5149.5178.1-66.2-178.5-15.600110.1M432 Y433M432-Q447 HydrophobicContact CE-CB 3.97Å; Y433-Q447 CarbonylContact O-C 3.59Å; Y433-Q447 VanDerWaalsContact O-CA 3.25Å; Y433-Q447 WeakPolarHBondContact O-CA 3.5Å
448A94.3Very high88.6Confident1 Ų159.2 Ų59.21%0.00830%0.296CS..EExtended strand (participates in β ladder)trans-141.1141.6174.800000110.7P371 L372 D373 Y433P371-A448 HydrophobicContact CB-CB 3.8Å; L372-A448 VanDerWaalsContact O-CB 3.28Å; L372-A448 WeakPolarHBondContact O-CB 3.19Å; D373-A448 WeakPolarHBondContact OD1-CA 3.18Å; Y433-A448 PolarHBondContact N-O 2.7Å; Y433-A448 PolarHBondContact O-N 3.24Å
449R94.4Very high87.6Confident144 Ų14456.6 Ų56.654%0.54329%0.29SS..EExtended strand (participates in β ladder)trans-85.2123.7169.6-171.1178-61.1-121.2-4.2109.8D373 S374 M432D373-R449 CarbonylContact C-O 3.51Å; D373-R449 WeakPolarHBondContact CA-O 3.36Å; D373-R449 HydrophobicContact CB-CB 4.41Å; D373-R449 PolarHBondContact OD1-N 2.81Å; S374-R449 PolarHBondContact N-O 2.83Å; M432-R449 HydrophobicContact SD-CB 3.65Å; M432-R449 HydrophobicContact SD-CG 4.01Å
450V94.6Very high86.4Confident0 Ų060.2 Ų60.20%031%0.314CS..EExtended strand (participates in β ladder)trans-93130.4168.1174.70000108.6S374 L376 L384 D429 S430 Q431 Y433 V452S374-V450 WeakPolarHBondContact O-CA 3.33Å; L376-V450 HydrophobicContact CD1-CG1 3.6Å; L376-V450 HydrophobicContact CG-CG1 4.05Å; L384-V450 HydrophobicContact CD1-CG2 3.77Å; L384-V450 HydrophobicContact CD2-CG2 3.56Å; L384-V450 HydrophobicContact CG-CG2 4.29Å; D429-V450 WeakPolarHBondContact O-CB 3.38Å; D429-V450 VanDerWaalsContact O-CG1 3.26Å; D429-V450 WeakPolarHBondContact O-CG1 3.44Å; S430-V450 CarbonylContact C-O 3.52Å; S430-V450 VanDerWaalsContact C-O 3.25Å; S430-V450 WeakPolarHBondContact CA-O 3.41Å; S430-V450 PolarHBondContact OG-O 3.41Å; Q431-V450 PolarHBondContact N-O 3.41Å; Q431-V450 PolarHBondContact O-N 3.14Å; Y433-V450 HydrophobicContact CD2-CB 3.91Å; Y433-V450 HydrophobicContact CD2-CG2 3.38Å; Y433-V450 HydrophobicContact CE2-CB 3.8Å; Y433-V450 HydrophobicContact CE2-CG1 4.45Å; Y433-V450 HydrophobicContact CE2-CG2 3.62Å; Y433-V450 HydrophobicContact CG-CG2 4.27Å; V450-V452 HydrophobicContact CG1-CG2 4.17Å
451T91.2Very high85.4Confident62 Ų6259.8 Ų59.838%0.3831%0.311SS..EExtended strand (participates in β ladder)trans-112.4124.1169.9-55.60000108.1S374 S375 L376S374-T451 PolarHBondContact O-N 3.3Å; S375-T451 CarbonylContact C-O 3.54Å; S375-T451 VanDerWaalsContact CA-O 3.25Å; S375-T451 WeakPolarHBondContact CA-O 3.34Å; L376-T451 PolarHBondContact N-O 3.19Å
452V88.4Confident85Confident14 Ų1459.6 Ų59.69%0.08531%0.306CS..EExtended strand (participates in β ladder)trans-95.2126.1178.6179.30000109.8L376 E378 V425 E426 D429 V450 E454L376-V452 CarbonylContact O-C 3.5Å; L376-V452 WeakPolarHBondContact O-CA 3.41Å; E378-V452 HydrophobicContact CB-CG1 4.1Å; V425-V452 HydrophobicContact CG1-CB 4.34Å; V425-V452 HydrophobicContact CG1-CG1 3.71Å; V425-V452 HydrophobicContact CG1-CG2 3.71Å; E426-V452 WeakPolarHBondContact O-CG2 3.47Å; D429-V452 HydrophobicContact CB-CG2 4.03Å; V450-V452 HydrophobicContact CG1-CG2 4.17Å; V452-E454 PolarHBondContact O-N 3.15Å
453L87Confident84.1Confident28 Ų2863.4 Ų63.415%0.14732%0.316CS..EExtended strand (participates in β ladder)trans-84.596.4177-54.8-179.7000107.8L376 E378 R455L376-L453 PolarHBondContact O-N 2.78Å; E378-L453 WeakPolarHBondContact CB-O 3.47Å; E378-L453 PolarHBondContact N-O 2.86Å; E378-L453 VanDerWaalsContact N-O 3.1Å; L453-R455 PolarHBondContact O-N 3.49Å
454E83.3Confident83.3Confident46 Ų4659.1 Ų59.122%0.21531%0.312CS..PPolyproline II helixtrans-56132.9179-69-161.5-137.900110.7E378 V427 V452 R483 Q531 R788E378-E454 WeakPolarHBondContact OE2-CA 3.34Å; V427-E454 HydrophobicContact CB-CG 4.34Å; V427-E454 HydrophobicContact CG1-CG 3.77Å; V427-E454 WeakPolarHBondContact CG1-OE1 3.43Å; V427-E454 HydrophobicContact CG2-CG 3.69Å; V452-E454 PolarHBondContact O-N 3.15Å; E454-R483 WeakPolarHBondContact O-CB 3.43Å; E454-R483 PolarHBondContact O-N 2.77Å; E454-Q531 PolarHBondContact O-NE2 2.78Å; E454-R788 IonicContact OE1-NH1 2.83Å; E454-R788 IonicContact OE2-CZ 2.71Å; E454-R788 IonicContact OE2-NH1 3.64Å; E454-R788 PolarHBondContact OE2-NH1 2.78Å
455R83.9Confident82.7Confident143 Ų14360 Ų6054%0.5432%0.319SS..PPolyproline II helixtrans-80.2156171.973.3-172.1174.6165.4-0.5110.4E378 L453 K457E378-R455 HydrophobicContact CG-CG 4.48Å; E378-R455 WeakPolarHBondContact OE2-CG 3.43Å; E378-R455 PolarHBondContact OE2-N 2.04Å; L453-R455 PolarHBondContact O-N 3.49Å; R455-K457 PolarHBondContact O-N 2.79Å
456L84.6Confident82.2Confident16 Ų1657.8 Ų57.88%0.08430%0.299CS..PPolyproline II helixtrans-65.6118.2174.1-170.659.5000109.5K481 P486 A526 Q531 G532 I534L456-K481 WeakPolarHBondContact CA-O 3.32Å; L456-P486 HydrophobicContact CD1-CB 3.5Å; L456-P486 VanDerWaalsContact CD1-CB 3.5Å; L456-P486 HydrophobicContact CD1-CG 3.72Å; L456-A526 WeakPolarHBondContact CD2-O 3.43Å; L456-Q531 HydrophobicContact CB-CB 4.15Å; L456-G532 WeakPolarHBondContact CD2-O 3.22Å; L456-I534 HydrophobicContact CB-CG2 4.28Å; L456-I534 HydrophobicContact CD1-CD1 4.48Å; L456-I534 HydrophobicContact CD2-CB 4.47Å; L456-I534 HydrophobicContact CD2-CG1 3.95Å; L456-I534 HydrophobicContact CD2-CG2 4.1Å; L456-I534 HydrophobicContact CG-CD1 3.78Å; L456-I534 HydrophobicContact CG-CG1 3.78Å; L456-I534 HydrophobicContact CG-CG2 4.09Å
457K80.2Confident81.7Confident30 Ų3058.3 Ų58.313%0.1330%0.3CS..EExtended strand (participates in β ladder)trans-147.1145.9179.463.5-177.1178.8-177.80112E378 R455 T459 A480 K481 I534E378-K457 IonicContact OE1-NZ 3.19Å; E378-K457 PolarHBondContact OE1-NZ 3.19Å; E378-K457 IonicContact OE2-NZ 2.86Å; R455-K457 PolarHBondContact O-N 2.79Å; K457-T459 HydrophobicContact CG-CG2 4.4Å; K457-A480 CarbonylContact O-C 3.55Å; K457-A480 VanDerWaalsContact O-CA 3.26Å; K457-A480 WeakPolarHBondContact O-CA 3.15Å; K457-A480 WeakPolarHBondContact O-CB 3.39Å; K457-K481 PolarHBondContact N-O 3.15Å; K457-K481 PolarHBondContact O-N 3.01Å; K457-I534 VanDerWaalsContact CA-CD1 3.5Å
458F77Confident81.5Confident25 Ų2551.4 Ų51.411%0.1127%0.268CS..EExtended strand (participates in β ladder)trans-72.7136.5173-61.8-75000110.9P462 C478 S479 A480 C524 A526 I534 A536F458-P462 HydrophobicContact CB-CG 4.23Å; F458-P462 HydrophobicContact CD1-CG 4.21Å; F458-P462 HydrophobicContact CG-CG 4.1Å; F458-C478 VanDerWaalsContact CD1-SG 3.57Å; F458-C478 VanDerWaalsContact CE1-SG 3.58Å; F458-S479 CarbonylContact C-O 3.56Å; F458-S479 WeakPolarHBondContact CA-O 3.44Å; F458-A480 HydrophobicContact CD1-CB 3.98Å; F458-A480 HydrophobicContact CE1-CB 4.5Å; F458-C524 HydrophobicContact CE1-CB 4.41Å; F458-C524 WeakPolarHBondContact CZ-O 3.35Å; F458-A526 HydrophobicContact CD1-CB 4.37Å; F458-A526 HydrophobicContact CE1-CB 3.76Å; F458-A526 HydrophobicContact CZ-CB 4.35Å; F458-I534 HydrophobicContact CD1-CD1 4.25Å; F458-I534 HydrophobicContact CD2-CD1 3.68Å; F458-I534 HydrophobicContact CD2-CG1 4.3Å; F458-I534 HydrophobicContact CE1-CD1 4.21Å; F458-I534 HydrophobicContact CE1-CG1 4.23Å; F458-I534 HydrophobicContact CE2-CB 4.11Å; F458-I534 HydrophobicContact CE2-CD1 3.62Å; F458-I534 HydrophobicContact CE2-CG1 3.7Å; F458-I534 HydrophobicContact CG-CD1 4Å; F458-I534 HydrophobicContact CZ-CB 4.36Å; F458-I534 HydrophobicContact CZ-CD1 3.9Å; F458-I534 HydrophobicContact CZ-CG1 3.68Å; F458-A536 HydrophobicContact CD2-CB 3.95Å; F458-A536 HydrophobicContact CE1-CB 4.32Å; F458-A536 HydrophobicContact CE2-CB 3.49Å; F458-A536 VanDerWaalsContact CE2-CB 3.49Å; F458-A536 HydrophobicContact CZ-CB 3.69Å
459T70.1Confident81.3Confident29 Ų2953.2 Ų53.218%0.17828%0.276CS..SBendtrans-144.6114173.749.70000112.1K457 S479 R788K457-T459 HydrophobicContact CG-CG2 4.4Å; T459-S479 PolarHBondContact N-O 2.83Å; T459-S479 WeakPolarHBondContact O-CB 3.5Å; T459-S479 PolarHBondContact O-OG 3.14Å; T459-R788 PolarHBondContact OG1-NH2 3.32Å
460P63.1Low81.1Confident101 Ų10148 Ų4866%0.65626%0.259SS*.SBendcis-66.7158.9-5.730.1-34.7000111.9P462 S479P460-P462 WeakPolarHBondContact O-CD 3.47Å; P460-S479 WeakPolarHBondContact CD-OG 3.06Å
461T66.5Low80.9Confident85 Ų8552.5 Ų52.552%0.52128%0.283SS..PPolyproline II helixtrans-59.2126.1171.1-51.30000108.7Q463T461-Q463 PolarHBondContact O-N 3.31Å
462P72Confident80.9Confident18 Ų1854 Ų5412%0.11729%0.285CS..PPolyproline II helixtrans-60.7137.6-179-25.135.9000110.5F458 P460 A536 V538F458-P462 HydrophobicContact CB-CG 4.23Å; F458-P462 HydrophobicContact CD1-CG 4.21Å; F458-P462 HydrophobicContact CG-CG 4.1Å; P460-P462 WeakPolarHBondContact O-CD 3.47Å; P462-A536 HydrophobicContact CB-CB 4.18Å; P462-A536 HydrophobicContact CG-CB 3.73Å; P462-V538 HydrophobicContact CB-CG2 3.87Å
463Q69Low81.1Confident110 Ų11059.1 Ų59.151%0.51431%0.308SS..PPolyproline II helixtrans-62.7132.8172.1-67.8-173.8-3.900109.1T461 T465 Q466T461-Q463 PolarHBondContact O-N 3.31Å; Q463-T465 PolarHBondContact O-N 2.92Å; Q463-T465 VanDerWaalsContact O-N 3.12Å; Q463-Q466 HydrophobicContact CB-CG 4.26Å
464P75.1Confident81.2Confident96 Ų9659.4 Ų59.462%0.62331%0.31SS*.SBendtrans-61-22.4-179.9-23.933.3000113.7T539P464-T539 PolarHBondContact O-N 3Å; P464-T539 PolarHBondContact O-OG1 2.83Å
465T79.8Confident81.6Confident63 Ų6360.3 Ų60.339%0.38732%0.319SS..EExtended strand (participates in β ladder)trans-135135.9179.2-52.50000109.1Q463 T539 I541Q463-T465 PolarHBondContact O-N 2.92Å; Q463-T465 VanDerWaalsContact O-N 3.12Å; T465-T539 CarbonylContact C-O 3.55Å; T465-T539 VanDerWaalsContact CA-O 3.26Å; T465-T539 WeakPolarHBondContact CA-O 3.24Å; T465-I541 HydrophobicContact CG2-CD1 3.36Å; T465-I541 HydrophobicContact CG2-CG1 3.8Å
466Q82.3Confident81.9Confident39 Ų3953.6 Ų53.618%0.18229%0.293CS..EExtended strand (participates in β ladder)trans-132.2139.4171.5-69.6-167.21400110.9Q463 V538 T539 L540 I541Q463-Q466 HydrophobicContact CB-CG 4.26Å; Q466-V538 HydrophobicContact CB-CG1 4.38Å; Q466-V538 HydrophobicContact CG-CG1 4.05Å; Q466-T539 PolarHBondContact N-O 3.38Å; Q466-L540 HydrophobicContact CB-CD2 3.95Å; Q466-L540 WeakPolarHBondContact O-CA 3.35Å; Q466-I541 PolarHBondContact O-N 2.73Å
467C84.4Confident81.9Confident29 Ų2957 Ų5720%0.19631%0.309CS..EExtended strand (participates in β ladder)trans-98.8135.7178.7-67.80000111.3I541 Y545 C623C467-I541 CarbonylContact C-O 3.54Å; C467-I541 VanDerWaalsContact CA-O 3.29Å; C467-I541 WeakPolarHBondContact CA-O 3.3Å; C467-Y545 HydrophobicContact CB-CE1 4.3Å; C467-Y545 PolarHBondContact O-OH 3Å; C467-C623 HydrophobicContact CB-CB 3.38Å; C467-C623 WeakPolarHBondContact CB-SG 3.3Å; C467-C623 WeakPolarHBondContact SG-CA 3.24Å; C467-C623 WeakPolarHBondContact SG-CB 3.41Å; C467-C623 CovalentContact SG-SG 2.04Å; C467-C623 PolarHBondContact SG-SG 2.99Å
468L89.6Confident82.1Confident1 Ų155.7 Ų55.71%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-116.5122.2178.6-52.3-178.6000108.8L470 I474 I476 F511 V514 L540 I541 V542 A543L468-L470 PolarHBondContact O-N 3.43Å; L468-I474 HydrophobicContact CB-CD1 4.03Å; L468-I474 HydrophobicContact CD2-CB 4.3Å; L468-I474 HydrophobicContact CD2-CD1 4.36Å; L468-I474 HydrophobicContact CD2-CG2 3.61Å; L468-I476 HydrophobicContact CD2-CD1 3.77Å; L468-I476 HydrophobicContact CD2-CG1 4.03Å; L468-F511 HydrophobicContact CD1-CD2 4.3Å; L468-F511 HydrophobicContact CD1-CE1 4.32Å; L468-F511 HydrophobicContact CD1-CE2 4.1Å; L468-F511 HydrophobicContact CD1-CZ 4.13Å; L468-V514 HydrophobicContact CB-CG1 3.71Å; L468-V514 HydrophobicContact CB-CG2 4.06Å; L468-V514 HydrophobicContact CD1-CG1 4.38Å; L468-V514 HydrophobicContact CD1-CG2 4.42Å; L468-L540 HydrophobicContact CD1-CB 4.19Å; L468-L540 HydrophobicContact CD1-CD1 4.08Å; L468-I541 PolarHBondContact N-O 2.83Å; L468-V542 HydrophobicContact CB-CG2 4.36Å; L468-V542 HydrophobicContact CD1-CG2 4.37Å; L468-V542 WeakPolarHBondContact O-CA 3.24Å; L468-A543 PolarHBondContact O-N 3.34Å
469E89.9Confident82.5Confident39 Ų3956.3 Ų56.318%0.18231%0.31CS..EExtended strand (participates in β ladder)trans-66.9126.3171.9-169.6167.5-17300109.9E472 I474 V514 A543 Y545 R547E469-E472 HydrophobicContact CB-CB 4.29Å; E469-E472 HydrophobicContact CB-CG 4.07Å; E469-E472 HydrophobicContact CG-CG 3.85Å; E469-E472 PolarHBondContact O-N 2.88Å; E469-I474 HydrophobicContact CB-CD1 4.08Å; E469-V514 VanDerWaalsContact O-CB 3.32Å; E469-V514 WeakPolarHBondContact O-CB 3.34Å; E469-A543 CarbonylContact C-O 3.6Å; E469-A543 WeakPolarHBondContact CA-O 3.11Å; E469-Y545 HydrophobicContact CB-CD1 3.99Å; E469-Y545 HydrophobicContact CB-CD2 4.05Å; E469-Y545 HydrophobicContact CB-CE1 3.96Å; E469-Y545 HydrophobicContact CB-CE2 4.03Å; E469-Y545 HydrophobicContact CB-CG 4.04Å; E469-Y545 HydrophobicContact CG-CD1 4.14Å; E469-Y545 HydrophobicContact CG-CD2 4.12Å; E469-Y545 HydrophobicContact CG-CG 3.88Å; E469-Y545 VanDerWaalsContact OE2-CD2 3.31Å; E469-Y545 WeakPolarHBondContact OE2-CD2 3.48Å; E469-R547 IonicContact OE1-NH2 3.62Å; E469-R547 PolarHBondContact OE1-NH2 3.28Å
470L91.8Very high83.1Confident35 Ų3555.5 Ų55.518%0.18331%0.307CS..THydrogen-bonded Turntrans-59.6142177.7-174.272.3000111.2L468 E472 R516 V542 A543 V544L468-L470 PolarHBondContact O-N 3.43Å; L470-E472 PolarHBondContact O-N 2.97Å; L470-R516 HydrophobicContact CD1-CG 3.91Å; L470-V542 HydrophobicContact CB-CG1 4.27Å; L470-V542 HydrophobicContact CD1-CG1 3.7Å; L470-A543 PolarHBondContact N-O 2.91Å; L470-V544 HydrophobicContact CB-CG2 4.15Å; L470-V544 HydrophobicContact CD2-CG2 3.78Å
471D90.4Very high84Confident93 Ų9355.7 Ų55.750%0.49730%0.297SS..THydrogen-bonded Turntrans67.41.7178.6-67.8-57000116.2K513 V514D471-K513 WeakPolarHBondContact OD1-CE 3.29Å; D471-K513 IonicContact OD1-NZ 2.84Å; D471-K513 PolarHBondContact OD1-NZ 3.16Å; D471-V514 PolarHBondContact N-O 3.29Å
472E90.6Very high84.8Confident94 Ų9452.3 Ų52.344%0.43928%0.28SS..SBendtrans-97.9160.5177.6-65.6-63.1151.600112.5E469 L470 I474 V514E469-E472 HydrophobicContact CB-CB 4.29Å; E469-E472 HydrophobicContact CB-CG 4.07Å; E469-E472 HydrophobicContact CG-CG 3.85Å; E469-E472 PolarHBondContact O-N 2.88Å; L470-E472 PolarHBondContact O-N 2.97Å; E472-I474 HydrophobicContact CB-CD1 4.48Å; E472-I474 HydrophobicContact CB-CG1 4.3Å; E472-V514 WeakPolarHBondContact O-CG2 3.36Å; E472-V514 PolarHBondContact O-N 2.87Å
473E93.1Very high85.4Confident121 Ų12158 Ų5857%0.56530%0.299SS*.  trans-84.9122169.1-178179.3168.600109.3F511E473-F511 WeakPolarHBondContact CA-O 3.44Å; E473-F511 WeakPolarHBondContact CG-O 3.38Å
474I88.9Confident86.1Confident34 Ų3456.6 Ų56.617%0.17429%0.292CS..EExtended strand (participates in β ladder)trans-134.3137.1-175.6-59.2-174.3000110.7L468 E469 E472 F511 V514L468-I474 HydrophobicContact CB-CD1 4.03Å; L468-I474 HydrophobicContact CD2-CB 4.3Å; L468-I474 HydrophobicContact CD2-CD1 4.36Å; L468-I474 HydrophobicContact CD2-CG2 3.61Å; E469-I474 HydrophobicContact CB-CD1 4.08Å; E472-I474 HydrophobicContact CB-CD1 4.48Å; E472-I474 HydrophobicContact CB-CG1 4.3Å; I474-F511 PolarHBondContact N-O 2.71Å; I474-F511 PolarHBondContact O-N 2.83Å; I474-V514 HydrophobicContact CB-CG2 4.04Å; I474-V514 HydrophobicContact CD1-CG2 4.05Å; I474-V514 HydrophobicContact CG1-CG2 4.01Å
475T91.5Very high86.6Confident66 Ų6657.7 Ų57.741%0.40530%0.302SS..EExtended strand (participates in β ladder)trans-116.5128.8174-58.70000110.7Q508 L509 R510T475-Q508 HydrophobicContact CG2-CB 3.8Å; T475-Q508 HydrophobicContact CG2-CG 3.99Å; T475-L509 WeakPolarHBondContact CA-O 3.45Å; T475-R510 HydrophobicContact CG2-CB 4.39Å; T475-R510 WeakPolarHBondContact OG1-CG 3.21Å
476I89.2Confident87.1Confident2 Ų255.8 Ų55.81%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-103.3130.2173.4-55.2178.5000108.9L468 W490 Q508 L509 F511 L540L468-I476 HydrophobicContact CD2-CD1 3.77Å; L468-I476 HydrophobicContact CD2-CG1 4.03Å; I476-W490 HydrophobicContact CG2-CH2 3.82Å; I476-W490 HydrophobicContact CG2-CZ2 3.74Å; I476-Q508 CarbonylContact O-C 3.53Å; I476-Q508 VanDerWaalsContact O-CA 3.31Å; I476-Q508 WeakPolarHBondContact O-CA 3.46Å; I476-L509 HydrophobicContact CB-CB 4.4Å; I476-L509 PolarHBondContact N-O 3.35Å; I476-L509 PolarHBondContact O-N 2.93Å; I476-F511 HydrophobicContact CD1-CE2 3.77Å; I476-F511 HydrophobicContact CG1-CE2 4.2Å; I476-L540 HydrophobicContact CD1-CD1 3.75Å; I476-L540 HydrophobicContact CD1-CD2 3.29Å; I476-L540 HydrophobicContact CD1-CG 4.19Å
477Q85.2Confident87.6Confident88 Ų8858.6 Ų58.641%0.41131%0.311SS..EExtended strand (participates in β ladder)trans-103.1135.1177.3-17772.659.800111N506Q477-N506 PolarHBondContact NE2-O 3.45Å
478C85.4Confident88Confident2 Ų258.5 Ų58.51%0.01431%0.308CS..  trans-122.2137.3159.7179.90000109.2F458 I488 W490 G507 C524F458-C478 VanDerWaalsContact CD1-SG 3.57Å; F458-C478 VanDerWaalsContact CE1-SG 3.58Å; C478-I488 HydrophobicContact CB-CG2 4.28Å; C478-W490 HydrophobicContact CB-CH2 4.2Å; C478-W490 HydrophobicContact CB-CZ2 3.36Å; C478-G507 PolarHBondContact N-O 3.28Å; C478-C524 HydrophobicContact CB-CB 3.72Å; C478-C524 WeakPolarHBondContact CB-SG 3.41Å; C478-C524 WeakPolarHBondContact SG-CB 3.38Å; C478-C524 CovalentContact SG-SG 2.02Å; C478-C524 PolarHBondContact SG-SG 3.25Å
479S85.8Confident88.1Confident37 Ų3761.3 Ų61.326%0.25932%0.321SS..  trans-139.4146.5178.944.80000110F458 T459 P460 I488F458-S479 CarbonylContact C-O 3.56Å; F458-S479 WeakPolarHBondContact CA-O 3.44Å; T459-S479 PolarHBondContact N-O 2.83Å; T459-S479 WeakPolarHBondContact O-CB 3.5Å; T459-S479 PolarHBondContact O-OG 3.14Å; P460-S479 WeakPolarHBondContact CD-OG 3.06Å; S479-I488 VanDerWaalsContact CA-CD1 3.5Å
480A82.8Confident88.3Confident12 Ų1259.8 Ų59.810%0.09931%0.313CS..EExtended strand (participates in β ladder)trans-142.9154.4-17900000110.2K457 F458 P486 I488 A526K457-A480 CarbonylContact O-C 3.55Å; K457-A480 VanDerWaalsContact O-CA 3.26Å; K457-A480 WeakPolarHBondContact O-CA 3.15Å; K457-A480 WeakPolarHBondContact O-CB 3.39Å; F458-A480 HydrophobicContact CD1-CB 3.98Å; F458-A480 HydrophobicContact CE1-CB 4.5Å; A480-P486 HydrophobicContact CB-CG 3.83Å; A480-P486 WeakPolarHBondContact O-CG 3.3Å; A480-I488 HydrophobicContact CB-CD1 4.06Å; A480-A526 HydrophobicContact CB-CB 3.33Å
481K80.8Confident88.3Confident105 Ų10560.2 Ų60.246%0.45732%0.318SS..EExtended strand (participates in β ladder)trans-130.2154.3176-74.2-177169.4-172.20109L456 K457 R788L456-K481 WeakPolarHBondContact CA-O 3.32Å; K457-K481 PolarHBondContact N-O 3.15Å; K457-K481 PolarHBondContact O-N 3.01Å; K481-R788 VanDerWaalsContact CD-CZ 3.47Å; K481-R788 VanDerWaalsContact CD-NH2 3.34Å
482G84.3Confident88.4Confident15 Ų1558 Ų5816%0.15530%0.304CS..  trans-166.8-179176.300000109.4E484G482-E484 PolarHBondContact O-N 2.78Å
483R83.2Confident88.3Confident138 Ų13855.8 Ų55.852%0.52130%0.302SS..SBendtrans-53.5-39.5175.4177174.9175.3179.55.2111.9E454 L530E454-R483 WeakPolarHBondContact O-CB 3.43Å; E454-R483 PolarHBondContact O-N 2.77Å; R483-L530 HydrophobicContact CG-CD2 4.19Å
484E84.8Confident88Confident80 Ų8056.2 Ų56.237%0.37431%0.308SS..SBendtrans-113.2146.1167.7-69-177.4176.900109.7G482 P486 N528 S529 L530G482-E484 PolarHBondContact O-N 2.78Å; E484-P486 VanDerWaalsContact O-CD 3.24Å; E484-P486 WeakPolarHBondContact O-CD 3.4Å; E484-P486 VanDerWaalsContact O-N 3.12Å; E484-N528 HydrophobicContact CB-CB 4.36Å; E484-N528 PolarHBondContact O-ND2 3.03Å; E484-S529 PolarHBondContact OE2-OG 3.1Å; E484-L530 HydrophobicContact CG-CD2 4.42Å
485S85Confident87.6Confident119 Ų11958 Ų5883%0.83233%0.334SS*.  trans-58.4115.8178.3-680000109.9
486P90.5Very high87.2Confident22 Ų2256.4 Ų56.414%0.14333%0.331CS..  trans-79.9148.1-17631.6-33.5000112.1L456 A480 E484 A526 S527L456-P486 HydrophobicContact CD1-CB 3.5Å; L456-P486 VanDerWaalsContact CD1-CB 3.5Å; L456-P486 HydrophobicContact CD1-CG 3.72Å; A480-P486 HydrophobicContact CB-CG 3.83Å; A480-P486 WeakPolarHBondContact O-CG 3.3Å; E484-P486 VanDerWaalsContact O-CD 3.24Å; E484-P486 WeakPolarHBondContact O-CD 3.4Å; E484-P486 VanDerWaalsContact O-N 3.12Å; P486-A526 HydrophobicContact CB-CB 4.32Å; P486-S527 CarbonylContact C-O 3.38Å; P486-S527 VanDerWaalsContact CA-O 3.28Å; P486-S527 WeakPolarHBondContact CA-O 3.25Å; P486-S527 WeakPolarHBondContact CB-O 3.41Å
487T92.4Very high87.1Confident99 Ų9964.9 Ų64.961%0.60737%0.371SS*.EExtended strand (participates in β ladder)trans-81.5130.9166.9-55.50000108.6A526 S527T487-A526 WeakPolarHBondContact O-CA 3.46Å; T487-S527 PolarHBondContact N-O 3.39Å; T487-S527 PolarHBondContact O-N 3.32Å
488I93.1Very high87.4Confident26 Ų2663 Ų6313%0.13336%0.363CS..EExtended strand (participates in β ladder)trans-117127.5-175.3-49.7-179.7000109.6C478 S479 A480 C524 I525 A526C478-I488 HydrophobicContact CB-CG2 4.28Å; S479-I488 VanDerWaalsContact CA-CD1 3.5Å; A480-I488 HydrophobicContact CB-CD1 4.06Å; I488-C524 VanDerWaalsContact CG2-SG 3.54Å; I488-I525 WeakPolarHBondContact CA-O 3.26Å; I488-A526 HydrophobicContact CG1-CB 4.27Å
489H92.1Very high87.6Confident60 Ų6063.8 Ų63.828%0.27837%0.368SS..EExtended strand (participates in β ladder)trans-143.2159.5176.266.3-77.9000111.2Q504 I525H489-Q504 VanDerWaalsContact CA-NE2 3.25Å; H489-I525 PolarHBondContact N-O 3.46Å; H489-I525 PolarHBondContact O-N 3.02Å
490W93.4Very high87.7Confident7 Ų768.5 Ų68.53%0.02740%0.398CS..EExtended strand (participates in β ladder)trans-112.1151.7176.2-6383000110.6I476 C478 Q504 G507 L509 T523 C524 V538I476-W490 HydrophobicContact CG2-CH2 3.82Å; I476-W490 HydrophobicContact CG2-CZ2 3.74Å; C478-W490 HydrophobicContact CB-CH2 4.2Å; C478-W490 HydrophobicContact CB-CZ2 3.36Å; W490-Q504 PolarHBondContact O-OE1 2.84Å; W490-Q504 VanDerWaalsContact O-OE1 3.09Å; W490-G507 PolarHBondContact NE1-O 3.47Å; W490-L509 HydrophobicContact CB-CD1 4.07Å; W490-L509 HydrophobicContact CB-CD2 4.35Å; W490-L509 HydrophobicContact CD2-CB 4.21Å; W490-L509 HydrophobicContact CD2-CD2 4.15Å; W490-L509 HydrophobicContact CE3-CD2 4.26Å; W490-L509 HydrophobicContact CG-CB 4.05Å; W490-L509 HydrophobicContact CG-CD1 4.28Å; W490-L509 HydrophobicContact CG-CD2 4.23Å; W490-L509 HydrophobicContact CG-CG 4.44Å; W490-T523 WeakPolarHBondContact CA-O 3.47Å; W490-C524 HydrophobicContact CD2-CB 3.93Å; W490-C524 HydrophobicContact CE3-CB 3.82Å; W490-C524 HydrophobicContact CH2-CB 3.91Å; W490-C524 HydrophobicContact CZ2-CB 4Å; W490-C524 HydrophobicContact CZ3-CB 3.8Å; W490-V538 HydrophobicContact CH2-CB 4.26Å; W490-V538 HydrophobicContact CH2-CG2 3.88Å; W490-V538 HydrophobicContact CZ3-CB 3.96Å; W490-V538 HydrophobicContact CZ3-CG2 3.86Å
491T92.6Very high88.1Confident45 Ų4570.3 Ų70.328%0.27640%0.404SS..EExtended strand (participates in β ladder)trans-143.4156.4174.953.10000108.4Y522 T523 I525T491-Y522 CarbonylContact O-C 3.31Å; T491-Y522 WeakPolarHBondContact O-CA 3.38Å; T491-T523 PolarHBondContact N-O 3.29Å; T491-T523 PolarHBondContact O-N 2.9Å; T491-T523 PolarHBondContact OG1-O 2.97Å; T491-I525 HydrophobicContact CG2-CD1 4.22Å
492K91.8Very high88.7Confident46 Ų4665.8 Ų65.820%0.239%0.385CS..EExtended strand (participates in β ladder)trans-71.6142.6163.9-66.9-168.1171.9-169.60109.3D494 G495 L498 Y522K492-D494 WeakPolarHBondContact CB-OD1 3.36Å; K492-D494 PolarHBondContact O-N 3.48Å; K492-G495 PolarHBondContact O-N 3.48Å; K492-L498 HydrophobicContact CG-CD2 4.44Å; K492-Y522 HydrophobicContact CG-CD1 4.22Å; K492-Y522 HydrophobicContact CG-CE1 3.82Å
493A88.4Confident89Confident48 Ų4868 Ų6840%0.39739%0.394SS..THydrogen-bonded Turntrans-67.6-20.9-176.700000113.3G495 N521 L537A493-G495 VanDerWaalsContact C-N 3.26Å; A493-N521 HydrophobicContact CB-CB 3.54Å; A493-N521 VanDerWaalsContact CB-O 3.3Å; A493-N521 WeakPolarHBondContact CB-O 2.93Å; A493-N521 PolarHBondContact N-O 3.41Å; A493-L537 HydrophobicContact CB-CD1 3.74Å
494D86.4Confident89.5Confident130 Ų13064.8 Ų64.870%0.69539%0.385SS*.THydrogen-bonded Turntrans-82-0.6173.562.60.6000113.4K492 G496K492-D494 WeakPolarHBondContact CB-OD1 3.36Å; K492-D494 PolarHBondContact O-N 3.48Å; D494-G496 VanDerWaalsContact C-N 3.27Å; D494-G496 PolarHBondContact O-N 3.26Å; D494-G496 PolarHBondContact OD1-N 2.96Å
495G81.1Confident89.7Confident70 Ų7068.2 Ų68.272%0.72240%0.398SS*.SBendtrans794.9-176.200000114.4K492 A493K492-G495 PolarHBondContact O-N 3.48Å; A493-G495 VanDerWaalsContact C-N 3.26Å
496G84Confident89.7Confident33 Ų3369 Ų6934%0.3439%0.393SS..PPolyproline II helixtrans-69155.4174.900000113.1D494D494-G496 VanDerWaalsContact C-N 3.27Å; D494-G496 PolarHBondContact O-N 3.26Å; D494-G496 PolarHBondContact OD1-N 2.96Å
497E87.1Confident89.5Confident181 Ų18168 Ų6885%0.84639%0.386SS*.PPolyproline II helixtrans-66.3150.8173.8-65.5-173.2170.600111.5
498L90.3Very high89.5Confident49 Ų4967.3 Ų67.326%0.25738%0.376SS..PPolyproline II helixtrans-64.5140.6173.1-67.1176.7000109.5K492 Q504 L509 Y522K492-L498 HydrophobicContact CG-CD2 4.44Å; L498-Q504 HydrophobicContact CD1-CB 4.26Å; L498-L509 HydrophobicContact CD1-CD1 3.91Å; L498-L509 HydrophobicContact CD2-CD1 4.12Å; L498-Y522 HydrophobicContact CD2-CD1 4.08Å; L498-Y522 HydrophobicContact CD2-CE1 3.86Å
499P89.3Confident89.5Confident18 Ų1866 Ų6612%0.11737%0.37CS..PPolyproline II helixtrans-60.2150.6178.8-19.131.5000111.7H501 V502P499-H501 WeakPolarHBondContact CB-CE1 2.99Å; P499-H501 PolarHBondContact O-N 3.2Å; P499-H501 VanDerWaalsContact O-N 3.11Å; P499-V502 HydrophobicContact CB-CG2 3.94Å; P499-V502 HydrophobicContact CG-CG2 3.96Å; P499-V502 WeakPolarHBondContact O-CB 3.42Å; P499-V502 PolarHBondContact O-N 2.91Å
500P88.1Confident89.6Confident135 Ų13567.9 Ų67.988%0.87737%0.374SS*.THydrogen-bonded Turntrans-65.6-18.6-173.426-35.2000114.4V502P500-V502 VanDerWaalsContact C-N 3.32Å
501H90.9Very high89.7Confident51 Ų5167.6 Ų67.624%0.23637%0.373CS..THydrogen-bonded Turntrans-90.85.7174.763.9-81.2000113.4P499 N512 K513 D518P499-H501 WeakPolarHBondContact CB-CE1 2.99Å; P499-H501 PolarHBondContact O-N 3.2Å; P499-H501 VanDerWaalsContact O-N 3.11Å; H501-N512 PolarHBondContact O-N 3.09Å; H501-K513 PolarHBondContact CD2-O 2.94Å; H501-D518 IonicContact CD2-OD2 2.73Å; H501-D518 IonicContact CE1-OD1 2.59Å; H501-D518 PolarHBondContact CE1-OD1 3.31Å; H501-D518 IonicContact CE1-OD2 3.14Å; H501-D518 IonicContact NE2-OD1 3.02Å; H501-D518 PolarHBondContact NE2-OD1 3.3Å; H501-D518 IonicContact NE2-OD2 3.5Å; H501-D518 PolarHBondContact NE2-OD2 2.66Å
502V93.1Very high89.6Confident10 Ų1068.6 Ų68.66%0.06138%0.377CS..EExtended strand (participates in β ladder)trans-113.3113.2-179.7-175.60000109.4P499 P500 L509 R510 F511P499-V502 HydrophobicContact CB-CG2 3.94Å; P499-V502 HydrophobicContact CG-CG2 3.96Å; P499-V502 WeakPolarHBondContact O-CB 3.42Å; P499-V502 PolarHBondContact O-N 2.91Å; P500-V502 VanDerWaalsContact C-N 3.32Å; V502-L509 HydrophobicContact CG1-CD1 3.38Å; V502-L509 HydrophobicContact CG1-CG 3.74Å; V502-R510 CarbonylContact C-O 3.52Å; V502-R510 VanDerWaalsContact CA-O 3.31Å; V502-R510 WeakPolarHBondContact CA-O 3.35Å; V502-F511 HydrophobicContact CB-CD1 4.42Å; V502-F511 HydrophobicContact CB-CE1 4.45Å; V502-F511 HydrophobicContact CG1-CD1 4.22Å; V502-F511 HydrophobicContact CG1-CE1 4Å; V502-F511 HydrophobicContact CG1-CZ 4.15Å; V502-F511 HydrophobicContact CG2-CD1 3.37Å; V502-F511 HydrophobicContact CG2-CE1 3.52Å; V502-F511 HydrophobicContact CG2-CG 4.2Å; V502-F511 HydrophobicContact CG2-CZ 4.45Å
503D91.9Very high89.7Confident62 Ų6271.5 Ų71.533%0.33239%0.389SS..EExtended strand (participates in β ladder)trans-96.8146.6177.6-66.5-52.9000110.4R510 N512D503-R510 HydrophobicContact CB-CB 4.48Å; D503-R510 PolarHBondContact N-O 2.63Å; D503-R510 PolarHBondContact O-N 3.42Å; D503-R510 IonicContact OD2-CZ 2.76Å; D503-R510 IonicContact OD2-NE 3.82Å; D503-R510 IonicContact OD2-NH2 3.63Å; D503-R510 PolarHBondContact OD2-NH2 2.73Å; D503-N512 PolarHBondContact OD2-ND2 3.49Å; D503-N512 PolarHBondContact OD2-OD1 2.94Å
504Q93.5Very high90Very high70 Ų7069.2 Ų69.233%0.32737%0.371SS..EExtended strand (participates in β ladder)trans-126.8132171.8-178.4-171.4-67.500112.3H489 W490 L498 Q508 L509H489-Q504 VanDerWaalsContact CA-NE2 3.25Å; W490-Q504 PolarHBondContact O-OE1 2.84Å; W490-Q504 VanDerWaalsContact O-OE1 3.09Å; L498-Q504 HydrophobicContact CD1-CB 4.26Å; Q504-Q508 CarbonylContact C-O 3.56Å; Q504-Q508 WeakPolarHBondContact CA-O 3.28Å; Q504-Q508 VanDerWaalsContact CG-O 3.29Å; Q504-Q508 WeakPolarHBondContact CG-O 3.38Å; Q504-L509 HydrophobicContact CB-CD1 4.3Å
505K89.4Confident90.4Very high151 Ų15165.2 Ų65.266%0.65735%0.351SS*.EExtended strand (participates in β ladder)trans-153132.6175.2-168.4173.9-178.6178.50111.3G507 Q508K505-G507 VanDerWaalsContact C-N 3.28Å; K505-G507 PolarHBondContact O-N 3Å; K505-Q508 PolarHBondContact N-O 3.38Å; K505-Q508 VanDerWaalsContact O-CB 3.29Å; K505-Q508 WeakPolarHBondContact O-CB 3.43Å; K505-Q508 PolarHBondContact O-N 3.03Å
506N84.7Confident90.8Very high137 Ų13768.9 Ų68.973%0.73334%0.343SS*.THydrogen-bonded Turntrans50.443.4174-59.6-12.7000113.9Q477 Q508Q477-N506 PolarHBondContact NE2-O 3.45Å; N506-Q508 PolarHBondContact O-N 3.42Å
507G86.7Confident91.1Very high0 Ų073.9 Ų73.90%036%0.362CS..THydrogen-bonded Turntrans75.82-177.400000115.8C478 W490 K505C478-G507 PolarHBondContact N-O 3.28Å; W490-G507 PolarHBondContact NE1-O 3.47Å; K505-G507 VanDerWaalsContact C-N 3.28Å; K505-G507 PolarHBondContact O-N 3Å
508Q91.1Very high91.4Very high84 Ų8465.3 Ų65.339%0.39332%0.322SS..EExtended strand (participates in β ladder)trans-89137.1169.5-67.7177.210.400110.9T475 I476 Q504 K505 N506T475-Q508 HydrophobicContact CG2-CB 3.8Å; T475-Q508 HydrophobicContact CG2-CG 3.99Å; I476-Q508 CarbonylContact O-C 3.53Å; I476-Q508 VanDerWaalsContact O-CA 3.31Å; I476-Q508 WeakPolarHBondContact O-CA 3.46Å; Q504-Q508 CarbonylContact C-O 3.56Å; Q504-Q508 WeakPolarHBondContact CA-O 3.28Å; Q504-Q508 VanDerWaalsContact CG-O 3.29Å; Q504-Q508 WeakPolarHBondContact CG-O 3.38Å; K505-Q508 PolarHBondContact N-O 3.38Å; K505-Q508 VanDerWaalsContact O-CB 3.29Å; K505-Q508 WeakPolarHBondContact O-CB 3.43Å; K505-Q508 PolarHBondContact O-N 3.03Å; N506-Q508 PolarHBondContact O-N 3.42Å
509L93.6Very high91.4Very high0 Ų065.3 Ų65.30%033%0.329CS..EExtended strand (participates in β ladder)trans-112.6102.9168.5-17067.1000107.8T475 I476 W490 L498 V502 Q504 F511 Y522 L540T475-L509 WeakPolarHBondContact CA-O 3.45Å; I476-L509 HydrophobicContact CB-CB 4.4Å; I476-L509 PolarHBondContact N-O 3.35Å; I476-L509 PolarHBondContact O-N 2.93Å; W490-L509 HydrophobicContact CB-CD1 4.07Å; W490-L509 HydrophobicContact CB-CD2 4.35Å; W490-L509 HydrophobicContact CD2-CB 4.21Å; W490-L509 HydrophobicContact CD2-CD2 4.15Å; W490-L509 HydrophobicContact CE3-CD2 4.26Å; W490-L509 HydrophobicContact CG-CB 4.05Å; W490-L509 HydrophobicContact CG-CD1 4.28Å; W490-L509 HydrophobicContact CG-CD2 4.23Å; W490-L509 HydrophobicContact CG-CG 4.44Å; L498-L509 HydrophobicContact CD1-CD1 3.91Å; L498-L509 HydrophobicContact CD2-CD1 4.12Å; V502-L509 HydrophobicContact CG1-CD1 3.38Å; V502-L509 HydrophobicContact CG1-CG 3.74Å; Q504-L509 HydrophobicContact CB-CD1 4.3Å; L509-F511 HydrophobicContact CB-CE2 4.46Å; L509-F511 HydrophobicContact CD2-CE2 3.81Å; L509-F511 HydrophobicContact CD2-CZ 3.69Å; L509-F511 HydrophobicContact CG-CE2 3.8Å; L509-F511 HydrophobicContact CG-CZ 4Å; L509-Y522 HydrophobicContact CD2-CD1 3.8Å; L509-Y522 HydrophobicContact CD2-CE1 4.17Å; L509-Y522 HydrophobicContact CD2-CG 4.43Å; L509-L540 HydrophobicContact CD2-CD1 4.5Å
510R94.7Very high91.5Very high99 Ų9965.9 Ų65.937%0.37434%0.338SS..EExtended strand (participates in β ladder)trans-100.9120.6-176.1-179-179.272.5179.61.3110.2T475 V502 D503 N512T475-R510 HydrophobicContact CG2-CB 4.39Å; T475-R510 WeakPolarHBondContact OG1-CG 3.21Å; V502-R510 CarbonylContact C-O 3.52Å; V502-R510 VanDerWaalsContact CA-O 3.31Å; V502-R510 WeakPolarHBondContact CA-O 3.35Å; D503-R510 HydrophobicContact CB-CB 4.48Å; D503-R510 PolarHBondContact N-O 2.63Å; D503-R510 PolarHBondContact O-N 3.42Å; D503-R510 IonicContact OD2-CZ 2.76Å; D503-R510 IonicContact OD2-NE 3.82Å; D503-R510 IonicContact OD2-NH2 3.63Å; D503-R510 PolarHBondContact OD2-NH2 2.73Å; R510-N512 PolarHBondContact NE-OD1 3.09Å
511F95.5Very high91.7Very high0 Ų063.1 Ų63.10%032%0.316CS..EExtended strand (participates in β ladder)trans-93.7108171-60.9-98.5000107.7L468 E473 I474 I476 V502 L509 K513 V514 D518 L540L468-F511 HydrophobicContact CD1-CD2 4.3Å; L468-F511 HydrophobicContact CD1-CE1 4.32Å; L468-F511 HydrophobicContact CD1-CE2 4.1Å; L468-F511 HydrophobicContact CD1-CZ 4.13Å; E473-F511 WeakPolarHBondContact CA-O 3.44Å; E473-F511 WeakPolarHBondContact CG-O 3.38Å; I474-F511 PolarHBondContact N-O 2.71Å; I474-F511 PolarHBondContact O-N 2.83Å; I476-F511 HydrophobicContact CD1-CE2 3.77Å; I476-F511 HydrophobicContact CG1-CE2 4.2Å; V502-F511 HydrophobicContact CB-CD1 4.42Å; V502-F511 HydrophobicContact CB-CE1 4.45Å; V502-F511 HydrophobicContact CG1-CD1 4.22Å; V502-F511 HydrophobicContact CG1-CE1 4Å; V502-F511 HydrophobicContact CG1-CZ 4.15Å; V502-F511 HydrophobicContact CG2-CD1 3.37Å; V502-F511 HydrophobicContact CG2-CE1 3.52Å; V502-F511 HydrophobicContact CG2-CG 4.2Å; V502-F511 HydrophobicContact CG2-CZ 4.45Å; L509-F511 HydrophobicContact CB-CE2 4.46Å; L509-F511 HydrophobicContact CD2-CE2 3.81Å; L509-F511 HydrophobicContact CD2-CZ 3.69Å; L509-F511 HydrophobicContact CG-CE2 3.8Å; L509-F511 HydrophobicContact CG-CZ 4Å; F511-K513 PolarHBondContact O-N 3.15Å; F511-V514 HydrophobicContact CB-CG2 3.73Å; F511-V514 HydrophobicContact CG-CG2 4.24Å; F511-D518 HydrophobicContact CD1-CB 4.04Å; F511-D518 HydrophobicContact CE1-CB 3.79Å; F511-L540 HydrophobicContact CE1-CD1 4.44Å; F511-L540 HydrophobicContact CE2-CD1 4.1Å; F511-L540 HydrophobicContact CZ-CD1 3.53Å
512N91.1Very high91.9Very high66 Ų6660.8 Ų60.835%0.35331%0.305SS..SBendtrans-63.4-28.6179.4-64.4-19.1000111.4H501 D503 R510H501-N512 PolarHBondContact O-N 3.09Å; D503-N512 PolarHBondContact OD2-ND2 3.49Å; D503-N512 PolarHBondContact OD2-OD1 2.94Å; R510-N512 PolarHBondContact NE-OD1 3.09Å
513K93.1Very high91.9Very high107 Ų10761 Ų6147%0.46531%0.307SS..SBendtrans-155.6122.2168.7-173.6177.6-178.5-168.30109.6D471 H501 F511D471-K513 WeakPolarHBondContact OD1-CE 3.29Å; D471-K513 IonicContact OD1-NZ 2.84Å; D471-K513 PolarHBondContact OD1-NZ 3.16Å; H501-K513 PolarHBondContact CD2-O 2.94Å; F511-K513 PolarHBondContact O-N 3.15Å
514V94.9Very high91.9Very high0 Ų058.1 Ų58.10%029%0.291CS..  trans-75.2131.4-179174.60000111.5L468 E469 D471 E472 I474 F511 V542L468-V514 HydrophobicContact CB-CG1 3.71Å; L468-V514 HydrophobicContact CB-CG2 4.06Å; L468-V514 HydrophobicContact CD1-CG1 4.38Å; L468-V514 HydrophobicContact CD1-CG2 4.42Å; E469-V514 VanDerWaalsContact O-CB 3.32Å; E469-V514 WeakPolarHBondContact O-CB 3.34Å; D471-V514 PolarHBondContact N-O 3.29Å; E472-V514 WeakPolarHBondContact O-CG2 3.36Å; E472-V514 PolarHBondContact O-N 2.87Å; I474-V514 HydrophobicContact CB-CG2 4.04Å; I474-V514 HydrophobicContact CD1-CG2 4.05Å; I474-V514 HydrophobicContact CG1-CG2 4.01Å; F511-V514 HydrophobicContact CB-CG2 3.73Å; F511-V514 HydrophobicContact CG-CG2 4.24Å; V514-V542 HydrophobicContact CG1-CB 4.34Å; V514-V542 HydrophobicContact CG1-CG1 3.65Å; V514-V542 HydrophobicContact CG1-CG2 3.84Å
515T93.5Very high91.8Very high47 Ų4755 Ų5529%0.28828%0.276SS..  trans-121.9158.6177.673.40000110.9N517 D518 V542T515-N517 PolarHBondContact O-N 3.04Å; T515-N517 VanDerWaalsContact O-N 3.08Å; T515-D518 WeakPolarHBondContact CA-OD2 3.22Å; T515-D518 PolarHBondContact N-OD2 2.86Å; T515-D518 WeakPolarHBondContact O-CB 3.47Å; T515-D518 PolarHBondContact O-N 3.12Å; T515-D518 PolarHBondContact OG1-OD2 3.12Å; T515-V542 WeakPolarHBondContact O-CG2 3.41Å
516R90.9Very high92Very high146 Ų14647.8 Ų47.855%0.55125%0.245SC*.G310 helixtrans-58.3-25.2178-70-174.4177.4-103.9-2.8114L470 D518 A519 D572L470-R516 HydrophobicContact CD1-CG 3.91Å; R516-D518 PolarHBondContact O-N 3.13Å; R516-A519 WeakPolarHBondContact O-CB 3.25Å; R516-A519 PolarHBondContact O-N 2.79Å; R516-D572 IonicContact CZ-OD2 3.81Å; R516-D572 IonicContact NH1-OD2 3.56Å; R516-D572 PolarHBondContact NH1-OD2 3.4Å; R516-D572 IonicContact NH2-OD2 3.3Å; R516-D572 PolarHBondContact NH2-OD2 3.35Å
517N90.2Very high92.4Very high139 Ų13942.8 Ų42.874%0.74322%0.221SC*.G310 helixtrans-78.5-9.1179.5-66.6-16.2000113.1T515T515-N517 PolarHBondContact O-N 3.04Å; T515-N517 VanDerWaalsContact O-N 3.08Å
518D92.6Very high92.6Very high1 Ų143.7 Ų43.71%0.00523%0.226CC..G310 helixtrans-78.4-13.1175.3-62.1-42.1000112.2H501 F511 T515 R516 Y522 V542H501-D518 IonicContact CD2-OD2 2.73Å; H501-D518 IonicContact CE1-OD1 2.59Å; H501-D518 PolarHBondContact CE1-OD1 3.31Å; H501-D518 IonicContact CE1-OD2 3.14Å; H501-D518 IonicContact NE2-OD1 3.02Å; H501-D518 PolarHBondContact NE2-OD1 3.3Å; H501-D518 IonicContact NE2-OD2 3.5Å; H501-D518 PolarHBondContact NE2-OD2 2.66Å; F511-D518 HydrophobicContact CD1-CB 4.04Å; F511-D518 HydrophobicContact CE1-CB 3.79Å; T515-D518 WeakPolarHBondContact CA-OD2 3.22Å; T515-D518 PolarHBondContact N-OD2 2.86Å; T515-D518 WeakPolarHBondContact O-CB 3.47Å; T515-D518 PolarHBondContact O-N 3.12Å; T515-D518 PolarHBondContact OG1-OD2 3.12Å; R516-D518 PolarHBondContact O-N 3.13Å; D518-Y522 VanDerWaalsContact O-CE2 3.25Å; D518-Y522 WeakPolarHBondContact O-CE2 3.21Å; D518-Y522 PolarHBondContact O-OH 3.41Å; D518-Y522 VanDerWaalsContact O-OH 3.12Å; D518-V542 HydrophobicContact CB-CG2 4.08Å
519A90.9Very high92.3Very high49 Ų4945.2 Ų45.241%0.40525%0.246SC..  trans-64.9139.8174.100000111.2R516 L540 V542R516-A519 WeakPolarHBondContact O-CB 3.25Å; R516-A519 PolarHBondContact O-N 2.79Å; A519-L540 VanDerWaalsContact CA-O 3.29Å; A519-L540 WeakPolarHBondContact CA-O 3.37Å; A519-V542 HydrophobicContact CB-CB 4.21Å; A519-V542 HydrophobicContact CB-CG2 3.93Å
520G90.3Very high91.7Very high29 Ų2949.6 Ų49.630%0.29927%0.269SS..EExtended strand (participates in β ladder)trans143-171.9-179.500000112.9Y522 L540G520-Y522 WeakPolarHBondContact O-CD2 3.4Å; G520-L540 PolarHBondContact N-O 2.7Å; G520-L540 PolarHBondContact O-N 2.65Å
521N93.2Very high91.2Very high77 Ų7747.6 Ų47.641%0.41226%0.264SS..EExtended strand (participates in β ladder)trans-93.2127-175.2-69.6-12000110.8A493 L537 T539A493-N521 HydrophobicContact CB-CB 3.54Å; A493-N521 VanDerWaalsContact CB-O 3.3Å; A493-N521 WeakPolarHBondContact CB-O 2.93Å; A493-N521 PolarHBondContact N-O 3.41Å; N521-L537 HydrophobicContact CB-CD1 3.95Å; N521-T539 WeakPolarHBondContact OD1-CG2 3.41Å; N521-T539 PolarHBondContact OD1-OG1 2.87Å
522Y94.4Very high90.8Very high3 Ų349.6 Ų49.61%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-118.8146.5175.3-69.6-107000108.9T491 K492 L498 L509 D518 G520 V538 L540T491-Y522 CarbonylContact O-C 3.31Å; T491-Y522 WeakPolarHBondContact O-CA 3.38Å; K492-Y522 HydrophobicContact CG-CD1 4.22Å; K492-Y522 HydrophobicContact CG-CE1 3.82Å; L498-Y522 HydrophobicContact CD2-CD1 4.08Å; L498-Y522 HydrophobicContact CD2-CE1 3.86Å; L509-Y522 HydrophobicContact CD2-CD1 3.8Å; L509-Y522 HydrophobicContact CD2-CE1 4.17Å; L509-Y522 HydrophobicContact CD2-CG 4.43Å; D518-Y522 VanDerWaalsContact O-CE2 3.25Å; D518-Y522 WeakPolarHBondContact O-CE2 3.21Å; D518-Y522 PolarHBondContact O-OH 3.41Å; D518-Y522 VanDerWaalsContact O-OH 3.12Å; G520-Y522 WeakPolarHBondContact O-CD2 3.4Å; Y522-V538 PolarHBondContact N-O 3.18Å; Y522-V538 PolarHBondContact O-N 3.22Å; Y522-L540 HydrophobicContact CD1-CD1 4.36Å; Y522-L540 HydrophobicContact CD2-CB 4.21Å; Y522-L540 HydrophobicContact CD2-CD1 3.3Å; Y522-L540 HydrophobicContact CD2-CG 3.53Å; Y522-L540 HydrophobicContact CE1-CD1 4.43Å; Y522-L540 HydrophobicContact CE2-CB 4.25Å; Y522-L540 HydrophobicContact CE2-CD1 3.42Å; Y522-L540 VanDerWaalsContact CE2-CD1 3.42Å; Y522-L540 HydrophobicContact CE2-CG 3.93Å; Y522-L540 HydrophobicContact CG-CD1 3.81Å; Y522-L540 HydrophobicContact CG-CG 4.26Å
523T93.3Very high90.8Very high15 Ų1551.2 Ų51.29%0.09229%0.289CS..EExtended strand (participates in β ladder)trans-114118.1177.1-53.40000108.9W490 T491 I525 R535 A536W490-T523 WeakPolarHBondContact CA-O 3.47Å; T491-T523 PolarHBondContact N-O 3.29Å; T491-T523 PolarHBondContact O-N 2.9Å; T491-T523 PolarHBondContact OG1-O 2.97Å; T523-I525 HydrophobicContact CG2-CD1 4.42Å; T523-I525 HydrophobicContact CG2-CG1 3.81Å; T523-R535 HydrophobicContact CG2-CB 3.91Å; T523-R535 HydrophobicContact CG2-CG 4.34Å; T523-A536 CarbonylContact C-O 3.38Å; T523-A536 WeakPolarHBondContact CA-O 3.47Å
524C92.4Very high90.8Very high0 Ų048.1 Ų48.10%028%0.277CS..EExtended strand (participates in β ladder)trans-81.5127.7163178.10000108.9F458 C478 I488 W490 R535 A536F458-C524 HydrophobicContact CE1-CB 4.41Å; F458-C524 WeakPolarHBondContact CZ-O 3.35Å; C478-C524 HydrophobicContact CB-CB 3.72Å; C478-C524 WeakPolarHBondContact CB-SG 3.41Å; C478-C524 WeakPolarHBondContact SG-CB 3.38Å; C478-C524 CovalentContact SG-SG 2.02Å; C478-C524 PolarHBondContact SG-SG 3.25Å; I488-C524 VanDerWaalsContact CG2-SG 3.54Å; W490-C524 HydrophobicContact CD2-CB 3.93Å; W490-C524 HydrophobicContact CE3-CB 3.82Å; W490-C524 HydrophobicContact CH2-CB 3.91Å; W490-C524 HydrophobicContact CZ2-CB 4Å; W490-C524 HydrophobicContact CZ3-CB 3.8Å; C524-R535 CarbonylContact O-C 3.59Å; C524-R535 WeakPolarHBondContact O-CA 3.38Å; C524-A536 HydrophobicContact CB-CB 4.49Å; C524-A536 PolarHBondContact N-O 2.94Å; C524-A536 PolarHBondContact O-N 3.36Å
525I92.5Very high90.7Very high4 Ų455.1 Ų55.12%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-118.8120.5-179.9-52.9175.6000107.6I488 H489 T491 T523 E533 I534 R535I488-I525 WeakPolarHBondContact CA-O 3.26Å; H489-I525 PolarHBondContact N-O 3.46Å; H489-I525 PolarHBondContact O-N 3.02Å; T491-I525 HydrophobicContact CG2-CD1 4.22Å; T523-I525 HydrophobicContact CG2-CD1 4.42Å; T523-I525 HydrophobicContact CG2-CG1 3.81Å; I525-E533 HydrophobicContact CG2-CB 4.29Å; I525-I534 WeakPolarHBondContact CA-O 3.45Å; I525-R535 HydrophobicContact CG1-CG 4.26Å; I525-R535 HydrophobicContact CG2-CG 4.49Å
526A92.8Very high90.3Very high0 Ų053.6 Ų53.60%030%0.296CS..EExtended strand (participates in β ladder)trans-108131.7168.800000108.4L456 F458 A480 P486 T487 I488 E533 I534L456-A526 WeakPolarHBondContact CD2-O 3.43Å; F458-A526 HydrophobicContact CD1-CB 4.37Å; F458-A526 HydrophobicContact CE1-CB 3.76Å; F458-A526 HydrophobicContact CZ-CB 4.35Å; A480-A526 HydrophobicContact CB-CB 3.33Å; P486-A526 HydrophobicContact CB-CB 4.32Å; T487-A526 WeakPolarHBondContact O-CA 3.46Å; I488-A526 HydrophobicContact CG1-CB 4.27Å; A526-E533 CarbonylContact O-C 3.48Å; A526-E533 WeakPolarHBondContact O-CA 3.5Å; A526-I534 HydrophobicContact CB-CD1 4.24Å; A526-I534 HydrophobicContact CB-CG1 3.84Å; A526-I534 PolarHBondContact N-O 2.84Å; A526-I534 PolarHBondContact O-N 2.84Å
527S93Very high90.2Very high32 Ų3251.2 Ų51.222%0.22429%0.294CS..EExtended strand (participates in β ladder)trans-146150.4-176.861.20000112.6P486 T487 G532P486-S527 CarbonylContact C-O 3.38Å; P486-S527 VanDerWaalsContact CA-O 3.28Å; P486-S527 WeakPolarHBondContact CA-O 3.25Å; P486-S527 WeakPolarHBondContact CB-O 3.41Å; T487-S527 PolarHBondContact N-O 3.39Å; T487-S527 PolarHBondContact O-N 3.32Å; S527-G532 CarbonylContact C-O 3.56Å; S527-G532 VanDerWaalsContact CA-O 3.23Å; S527-G532 WeakPolarHBondContact CA-O 2.87Å
528N91.1Very high90Very high19 Ų1944.6 Ų44.610%0.10226%0.258CS..EExtended strand (participates in β ladder)trans-145.9165.8166.967.735.4000110.8E484 L530 Q531 G532E484-N528 HydrophobicContact CB-CB 4.36Å; E484-N528 PolarHBondContact O-ND2 3.03Å; N528-L530 VanDerWaalsContact C-N 3.26Å; N528-L530 PolarHBondContact O-N 3.04Å; N528-L530 PolarHBondContact OD1-N 3.1Å; N528-Q531 PolarHBondContact ND2-OE1 2.9Å; N528-Q531 WeakPolarHBondContact OD1-CA 3.32Å; N528-Q531 WeakPolarHBondContact OD1-CB 3.24Å; N528-Q531 WeakPolarHBondContact OD1-CG 3.25Å; N528-Q531 PolarHBondContact OD1-N 3.44Å; N528-G532 PolarHBondContact N-O 2.95Å; N528-G532 PolarHBondContact O-N 2.86Å
529S85.3Confident89.9Confident117 Ų11746.9 Ų46.982%0.81827%0.272SS*.THydrogen-bonded Turntrans-63.8-27.5-175.132.50000114.3E484E484-S529 PolarHBondContact OE2-OG 3.1Å
530L81.1Confident89.9Confident91 Ų9144.6 Ų44.648%0.47625%0.253SS..THydrogen-bonded Turntrans-95.6-29.8-171.1-169.470.2000113.5R483 E484 N528R483-L530 HydrophobicContact CG-CD2 4.19Å; E484-L530 HydrophobicContact CG-CD2 4.42Å; N528-L530 VanDerWaalsContact C-N 3.26Å; N528-L530 PolarHBondContact O-N 3.04Å; N528-L530 PolarHBondContact OD1-N 3.1Å
531Q83.8Confident89.7Confident58 Ų5845.6 Ų45.627%0.27125%0.251SS..THydrogen-bonded Turntrans-120.52.5-167.4-49.5-177.9-93.800113.1E454 L456 N528E454-Q531 PolarHBondContact O-NE2 2.78Å; L456-Q531 HydrophobicContact CB-CB 4.15Å; N528-Q531 PolarHBondContact ND2-OE1 2.9Å; N528-Q531 WeakPolarHBondContact OD1-CA 3.32Å; N528-Q531 WeakPolarHBondContact OD1-CB 3.24Å; N528-Q531 WeakPolarHBondContact OD1-CG 3.25Å; N528-Q531 PolarHBondContact OD1-N 3.44Å
532G86.6Confident89.6Confident41 Ų4142.9 Ų42.942%0.42324%0.237SC..EExtended strand (participates in β ladder)trans75.7-142.1179.600000112.1L456 S527 N528L456-G532 WeakPolarHBondContact CD2-O 3.22Å; S527-G532 CarbonylContact C-O 3.56Å; S527-G532 VanDerWaalsContact CA-O 3.23Å; S527-G532 WeakPolarHBondContact CA-O 2.87Å; N528-G532 PolarHBondContact N-O 2.95Å; N528-G532 PolarHBondContact O-N 2.86Å
533E92.3Very high89.2Confident100 Ų10042.8 Ų42.847%0.46724%0.237SC..EExtended strand (participates in β ladder)trans-128.9149.2-176.661.2168.3-143.900112.6I525 A526 R535I525-E533 HydrophobicContact CG2-CB 4.29Å; A526-E533 CarbonylContact O-C 3.48Å; A526-E533 WeakPolarHBondContact O-CA 3.5Å; E533-R535 IonicContact OE1-CZ 3.34Å; E533-R535 IonicContact OE1-NE 3.94Å; E533-R535 PolarHBondContact OE1-NE 2.89Å; E533-R535 IonicContact OE1-NH2 2.64Å; E533-R535 PolarHBondContact OE1-NH2 2.85Å; E533-R535 IonicContact OE2-NH2 2.71Å; E533-R535 PolarHBondContact OE2-NH2 2.75Å
534I91.2Very high89Confident42 Ų4244.3 Ų44.322%0.21525%0.246CC..EExtended strand (participates in β ladder)trans-124149.2167.860.9171.9000109.3L456 K457 F458 I525 A526L456-I534 HydrophobicContact CB-CG2 4.28Å; L456-I534 HydrophobicContact CD1-CD1 4.48Å; L456-I534 HydrophobicContact CD2-CB 4.47Å; L456-I534 HydrophobicContact CD2-CG1 3.95Å; L456-I534 HydrophobicContact CD2-CG2 4.1Å; L456-I534 HydrophobicContact CG-CD1 3.78Å; L456-I534 HydrophobicContact CG-CG1 3.78Å; L456-I534 HydrophobicContact CG-CG2 4.09Å; K457-I534 VanDerWaalsContact CA-CD1 3.5Å; F458-I534 HydrophobicContact CD1-CD1 4.25Å; F458-I534 HydrophobicContact CD2-CD1 3.68Å; F458-I534 HydrophobicContact CD2-CG1 4.3Å; F458-I534 HydrophobicContact CE1-CD1 4.21Å; F458-I534 HydrophobicContact CE1-CG1 4.23Å; F458-I534 HydrophobicContact CE2-CB 4.11Å; F458-I534 HydrophobicContact CE2-CD1 3.62Å; F458-I534 HydrophobicContact CE2-CG1 3.7Å; F458-I534 HydrophobicContact CG-CD1 4Å; F458-I534 HydrophobicContact CZ-CB 4.36Å; F458-I534 HydrophobicContact CZ-CD1 3.9Å; F458-I534 HydrophobicContact CZ-CG1 3.68Å; I525-I534 WeakPolarHBondContact CA-O 3.45Å; A526-I534 HydrophobicContact CB-CD1 4.24Å; A526-I534 HydrophobicContact CB-CG1 3.84Å; A526-I534 PolarHBondContact N-O 2.84Å; A526-I534 PolarHBondContact O-N 2.84Å
535R92.9Very high88.8Confident148 Ų14847 Ų4756%0.55826%0.257SS*.EExtended strand (participates in β ladder)trans-126.9138.7-174.3-59.7-179173.8-108.7-5.6110.4T523 C524 I525 E533T523-R535 HydrophobicContact CG2-CB 3.91Å; T523-R535 HydrophobicContact CG2-CG 4.34Å; C524-R535 CarbonylContact O-C 3.59Å; C524-R535 WeakPolarHBondContact O-CA 3.38Å; I525-R535 HydrophobicContact CG1-CG 4.26Å; I525-R535 HydrophobicContact CG2-CG 4.49Å; E533-R535 IonicContact OE1-CZ 3.34Å; E533-R535 IonicContact OE1-NE 3.94Å; E533-R535 PolarHBondContact OE1-NE 2.89Å; E533-R535 IonicContact OE1-NH2 2.64Å; E533-R535 PolarHBondContact OE1-NH2 2.85Å; E533-R535 IonicContact OE2-NH2 2.71Å; E533-R535 PolarHBondContact OE2-NH2 2.75Å
536A85.9Confident88.3Confident14 Ų1446.8 Ų46.812%0.11626%0.256CS..EExtended strand (participates in β ladder)trans-126.5120.3171.900000109.5F458 P462 T523 C524F458-A536 HydrophobicContact CD2-CB 3.95Å; F458-A536 HydrophobicContact CE1-CB 4.32Å; F458-A536 HydrophobicContact CE2-CB 3.49Å; F458-A536 VanDerWaalsContact CE2-CB 3.49Å; F458-A536 HydrophobicContact CZ-CB 3.69Å; P462-A536 HydrophobicContact CB-CB 4.18Å; P462-A536 HydrophobicContact CG-CB 3.73Å; T523-A536 CarbonylContact C-O 3.38Å; T523-A536 WeakPolarHBondContact CA-O 3.47Å; C524-A536 HydrophobicContact CB-CB 4.49Å; C524-A536 PolarHBondContact N-O 2.94Å; C524-A536 PolarHBondContact O-N 3.36Å
537L88.2Confident88.1Confident97 Ų9753.1 Ų53.151%0.50828%0.28SS..EExtended strand (participates in β ladder)trans-81.5126.6173.7-170.369.6000109.3A493 N521A493-L537 HydrophobicContact CB-CD1 3.74Å; N521-L537 HydrophobicContact CB-CD1 3.95Å
538V87.3Confident87.8Confident0 Ų052.9 Ų52.90%028%0.275CS..EExtended strand (participates in β ladder)trans-126.6120.5178.3-177.70000108.3P462 Q466 W490 Y522 L540P462-V538 HydrophobicContact CB-CG2 3.87Å; Q466-V538 HydrophobicContact CB-CG1 4.38Å; Q466-V538 HydrophobicContact CG-CG1 4.05Å; W490-V538 HydrophobicContact CH2-CB 4.26Å; W490-V538 HydrophobicContact CH2-CG2 3.88Å; W490-V538 HydrophobicContact CZ3-CB 3.96Å; W490-V538 HydrophobicContact CZ3-CG2 3.86Å; Y522-V538 PolarHBondContact N-O 3.18Å; Y522-V538 PolarHBondContact O-N 3.22Å; V538-L540 HydrophobicContact CG1-CD2 3.78Å
539T89.2Confident87.7Confident48 Ų4859.2 Ų59.229%0.29430%0.301SS..EExtended strand (participates in β ladder)trans-89.7114.4177.4-51.40000108.9P464 T465 Q466 N521P464-T539 PolarHBondContact O-N 3Å; P464-T539 PolarHBondContact O-OG1 2.83Å; T465-T539 CarbonylContact C-O 3.55Å; T465-T539 VanDerWaalsContact CA-O 3.26Å; T465-T539 WeakPolarHBondContact CA-O 3.24Å; Q466-T539 PolarHBondContact N-O 3.38Å; N521-T539 WeakPolarHBondContact OD1-CG2 3.41Å; N521-T539 PolarHBondContact OD1-OG1 2.87Å
540L91.6Very high88Confident2 Ų256.1 Ų56.11%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-88.9122.9176.9-55.1-172.2000109.7Q466 L468 I476 L509 F511 A519 G520 Y522 V538Q466-L540 HydrophobicContact CB-CD2 3.95Å; Q466-L540 WeakPolarHBondContact O-CA 3.35Å; L468-L540 HydrophobicContact CD1-CB 4.19Å; L468-L540 HydrophobicContact CD1-CD1 4.08Å; I476-L540 HydrophobicContact CD1-CD1 3.75Å; I476-L540 HydrophobicContact CD1-CD2 3.29Å; I476-L540 HydrophobicContact CD1-CG 4.19Å; L509-L540 HydrophobicContact CD2-CD1 4.5Å; F511-L540 HydrophobicContact CE1-CD1 4.44Å; F511-L540 HydrophobicContact CE2-CD1 4.1Å; F511-L540 HydrophobicContact CZ-CD1 3.53Å; A519-L540 VanDerWaalsContact CA-O 3.29Å; A519-L540 WeakPolarHBondContact CA-O 3.37Å; G520-L540 PolarHBondContact N-O 2.7Å; G520-L540 PolarHBondContact O-N 2.65Å; Y522-L540 HydrophobicContact CD1-CD1 4.36Å; Y522-L540 HydrophobicContact CD2-CB 4.21Å; Y522-L540 HydrophobicContact CD2-CD1 3.3Å; Y522-L540 HydrophobicContact CD2-CG 3.53Å; Y522-L540 HydrophobicContact CE1-CD1 4.43Å; Y522-L540 HydrophobicContact CE2-CB 4.25Å; Y522-L540 HydrophobicContact CE2-CD1 3.42Å; Y522-L540 VanDerWaalsContact CE2-CD1 3.42Å; Y522-L540 HydrophobicContact CE2-CG 3.93Å; Y522-L540 HydrophobicContact CG-CD1 3.81Å; Y522-L540 HydrophobicContact CG-CG 4.26Å; V538-L540 HydrophobicContact CG1-CD2 3.78Å
541I85.8Confident88.4Confident50 Ų5056.3 Ų56.326%0.25628%0.276SS..EExtended strand (participates in β ladder)trans-108.5113.6175.3-57.5-179.8000107.6T465 Q466 C467 L468T465-I541 HydrophobicContact CG2-CD1 3.36Å; T465-I541 HydrophobicContact CG2-CG1 3.8Å; Q466-I541 PolarHBondContact O-N 2.73Å; C467-I541 CarbonylContact C-O 3.54Å; C467-I541 VanDerWaalsContact CA-O 3.29Å; C467-I541 WeakPolarHBondContact CA-O 3.3Å; L468-I541 PolarHBondContact N-O 2.83Å
542V91.5Very high88.7Confident19 Ų1954 Ų5412%0.11527%0.266CS..EExtended strand (participates in β ladder)trans-84.4119.5173.1177.90000108.2L468 L470 V514 T515 D518 A519L468-V542 HydrophobicContact CB-CG2 4.36Å; L468-V542 HydrophobicContact CD1-CG2 4.37Å; L468-V542 WeakPolarHBondContact O-CA 3.24Å; L470-V542 HydrophobicContact CB-CG1 4.27Å; L470-V542 HydrophobicContact CD1-CG1 3.7Å; V514-V542 HydrophobicContact CG1-CB 4.34Å; V514-V542 HydrophobicContact CG1-CG1 3.65Å; V514-V542 HydrophobicContact CG1-CG2 3.84Å; T515-V542 WeakPolarHBondContact O-CG2 3.41Å; D518-V542 HydrophobicContact CB-CG2 4.08Å; A519-V542 HydrophobicContact CB-CB 4.21Å; A519-V542 HydrophobicContact CB-CG2 3.93Å
543A85.6Confident88.8Confident1 Ų159.3 Ų59.31%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-129.1147.9-173.300000111.5L468 E469 L470 Y545 D572 C623L468-A543 PolarHBondContact O-N 3.34Å; E469-A543 CarbonylContact C-O 3.6Å; E469-A543 WeakPolarHBondContact CA-O 3.11Å; L470-A543 PolarHBondContact N-O 2.91Å; A543-Y545 HydrophobicContact CB-CD1 4.3Å; A543-Y545 HydrophobicContact CB-CE1 4.38Å; A543-D572 CarbonylContact C-O 3.6Å; A543-D572 WeakPolarHBondContact CA-O 3.37Å; A543-D572 WeakPolarHBondContact CB-O 3.14Å; A543-C623 HydrophobicContact CB-CB 3.6Å
544V89.6Confident88.6Confident47 Ų4760 Ų6029%0.28528%0.282SS..EExtended strand (participates in β ladder)trans-86.3115159.9-1790000106.6L470 G571 D572L470-V544 HydrophobicContact CB-CG2 4.15Å; L470-V544 HydrophobicContact CD2-CG2 3.78Å; V544-G571 CarbonylContact O-C 3.44Å; V544-G571 WeakPolarHBondContact O-CA 3.22Å; V544-D572 HydrophobicContact CB-CB 3.88Å; V544-D572 HydrophobicContact CG2-CB 3.97Å; V544-D572 PolarHBondContact N-O 2.97Å; V544-D572 PolarHBondContact O-N 3.32Å
545Y87.3Confident88.3Confident56 Ų5659.7 Ų59.722%0.2228%0.283CS..EExtended strand (participates in β ladder)trans-64.4158.3-177.9-80.815.8000111.9C467 E469 A543 R547 C623C467-Y545 HydrophobicContact CB-CE1 4.3Å; C467-Y545 PolarHBondContact O-OH 3Å; E469-Y545 HydrophobicContact CB-CD1 3.99Å; E469-Y545 HydrophobicContact CB-CD2 4.05Å; E469-Y545 HydrophobicContact CB-CE1 3.96Å; E469-Y545 HydrophobicContact CB-CE2 4.03Å; E469-Y545 HydrophobicContact CB-CG 4.04Å; E469-Y545 HydrophobicContact CG-CD1 4.14Å; E469-Y545 HydrophobicContact CG-CD2 4.12Å; E469-Y545 HydrophobicContact CG-CG 3.88Å; E469-Y545 VanDerWaalsContact OE2-CD2 3.31Å; E469-Y545 WeakPolarHBondContact OE2-CD2 3.48Å; A543-Y545 HydrophobicContact CB-CD1 4.3Å; A543-Y545 HydrophobicContact CB-CE1 4.38Å; Y545-R547 PolarHBondContact O-N 2.89Å; Y545-C623 HydrophobicContact CE1-CB 4.21Å
546V82.9Confident88Confident0 Ų056.6 Ų56.60%028%0.284CS..EExtended strand (participates in β ladder)trans-65.3129.2-173.4-178.30000110.2A569 S570 P575 A619 S624 K626V546-A569 HydrophobicContact CG1-CB 4.02Å; V546-S570 CarbonylContact C-O 3.51Å; V546-S570 WeakPolarHBondContact CA-O 3.24Å; V546-P575 HydrophobicContact CG1-CB 4.18Å; V546-P575 HydrophobicContact CG1-CG 4.39Å; V546-P575 HydrophobicContact CG2-CB 3.84Å; V546-P575 HydrophobicContact CG2-CG 4.48Å; V546-A619 HydrophobicContact CG1-CB 3.64Å; V546-S624 VanDerWaalsContact CG2-O 3.23Å; V546-S624 WeakPolarHBondContact CG2-O 3.19Å; V546-S624 PolarHBondContact N-OG 3.04Å; V546-S624 VanDerWaalsContact N-OG 3.14Å; V546-K626 HydrophobicContact CB-CG 4.46Å; V546-K626 HydrophobicContact CG1-CB 4.48Å; V546-K626 WeakPolarHBondContact O-CD 3.38Å; V546-K626 WeakPolarHBondContact O-CE 3.27Å; V546-K626 PolarHBondContact O-NZ 3.05Å; V546-K626 VanDerWaalsContact O-NZ 3.09Å
547R87.8Confident88.1Confident133 Ų13357 Ų5750%0.50229%0.285SS..EExtended strand (participates in β ladder)trans-133.3129.8173.3-62.5-173.6-175.5-146.40109.1E469 Y545 K549 A569 S570E469-R547 IonicContact OE1-NH2 3.62Å; E469-R547 PolarHBondContact OE1-NH2 3.28Å; Y545-R547 PolarHBondContact O-N 2.89Å; R547-K549 PolarHBondContact O-N 3.19Å; R547-A569 WeakPolarHBondContact O-CA 3.47Å; R547-S570 PolarHBondContact N-O 2.89Å; R547-S570 PolarHBondContact O-N 2.83Å; R547-S570 PolarHBondContact O-OG 3.49Å
548F87.8Confident87.8Confident28 Ų2857.9 Ų57.912%0.12328%0.282CS..EExtended strand (participates in β ladder)trans-71.1124.4173.2-69.9-78.6000109.5E551 C567 Q568 A569 A619 K626 R628F548-E551 HydrophobicContact CB-CG 3.52Å; F548-E551 HydrophobicContact CG-CG 4.13Å; F548-C567 WeakPolarHBondContact CE1-SG 3.45Å; F548-Q568 CarbonylContact C-O 3.58Å; F548-A569 HydrophobicContact CD1-CB 4.15Å; F548-A569 HydrophobicContact CE1-CB 4.32Å; F548-A619 HydrophobicContact CE1-CB 3.7Å; F548-A619 HydrophobicContact CZ-CB 3.82Å; F548-K626 HydrophobicContact CD2-CB 4.46Å; F548-K626 HydrophobicContact CE2-CB 3.65Å; F548-K626 HydrophobicContact CZ-CB 4.35Å; F548-K626 WeakPolarHBondContact CZ-O 3.3Å; F548-R628 HydrophobicContact CD1-CG 4.44Å; F548-R628 HydrophobicContact CD2-CG 3.56Å; F548-R628 HydrophobicContact CE1-CG 4.39Å; F548-R628 HydrophobicContact CE2-CB 4.32Å; F548-R628 HydrophobicContact CE2-CG 3.5Å; F548-R628 VanDerWaalsContact CE2-CG 3.5Å; F548-R628 HydrophobicContact CG-CG 4.06Å; F548-R628 HydrophobicContact CZ-CB 4.28Å; F548-R628 HydrophobicContact CZ-CG 3.93Å
549K88.8Confident87.7Confident151 Ų15162.2 Ų62.266%0.65730%0.303SS*.EExtended strand (participates in β ladder)trans-82.3-38169-74.9179.4165.1170.60110.8R547 Q568R547-K549 PolarHBondContact O-N 3.19Å; K549-Q568 HydrophobicContact CB-CB 4.35Å; K549-Q568 PolarHBondContact N-O 3.41Å
550V90.6Very high87.2Confident53 Ų5362 Ų6232%0.32131%0.309SS..EExtended strand (participates in β ladder)trans-133.9116.2175-1750000106.3H566 C567 Q568V550-H566 HydrophobicContact CG1-CB 3.74Å; V550-C567 WeakPolarHBondContact O-CA 3.07Å; V550-Q568 HydrophobicContact CB-CB 3.96Å; V550-Q568 HydrophobicContact CB-CG 4.02Å; V550-Q568 HydrophobicContact CG2-CB 4.08Å; V550-Q568 HydrophobicContact CG2-CG 4.06Å; V550-Q568 PolarHBondContact N-O 2.99Å; V550-Q568 VanDerWaalsContact N-O 3.07Å; V550-Q568 PolarHBondContact O-N 3.36Å
551E90.7Very high86.9Confident94 Ų9466.9 Ų66.944%0.43933%0.332SS..PPolyproline II helixtrans-86.9144.4174.2-62.7-167.4169.600109F548 E553 H566 R628F548-E551 HydrophobicContact CB-CG 3.52Å; F548-E551 HydrophobicContact CG-CG 4.13Å; E551-E553 PolarHBondContact O-N 2.77Å; E551-H566 CarbonylContact C-O 3.48Å; E551-R628 HydrophobicContact CB-CG 4.4Å; E551-R628 HydrophobicContact CG-CG 4.09Å; E551-R628 IonicContact OE1-CZ 3.19Å; E551-R628 IonicContact OE1-NE 2.63Å; E551-R628 PolarHBondContact OE1-NE 2.85Å; E551-R628 IonicContact OE1-NH2 2.78Å; E551-R628 PolarHBondContact OE1-NH2 2.87Å; E551-R628 IonicContact OE2-NE 2.66Å; E551-R628 PolarHBondContact OE2-NE 3.01Å
552P89.2Confident87Confident10 Ų1068 Ų687%0.06534%0.341CS..PPolyproline II helixtrans-73.2130.417834.4-38.3000110.6H566 C567 W579 C617 R628 A630P552-H566 WeakPolarHBondContact CA-O 3.42Å; P552-H566 VanDerWaalsContact CB-O 3.29Å; P552-H566 WeakPolarHBondContact CB-O 3.47Å; P552-H566 VanDerWaalsContact N-O 3.17Å; P552-C567 HydrophobicContact CB-CB 4.5Å; P552-W579 HydrophobicContact CB-CH2 3.44Å; P552-W579 VanDerWaalsContact CB-CH2 3.44Å; P552-W579 HydrophobicContact CB-CZ2 4.33Å; P552-W579 HydrophobicContact CB-CZ3 4.17Å; P552-W579 HydrophobicContact CG-CH2 3.96Å; P552-W579 HydrophobicContact CG-CZ3 4.37Å; P552-C617 HydrophobicContact CG-CB 3.97Å; P552-R628 HydrophobicContact CG-CB 3.89Å; P552-A630 HydrophobicContact CB-CB 3.64Å; P552-A630 HydrophobicContact CG-CB 4.09Å
553E88.9Confident86.8Confident152 Ų15267 Ų6771%0.7134%0.335SS*.PPolyproline II helixtrans-101.6154.6179.6-65.4-176.6177.400111.3E551 T555 A630E551-E553 PolarHBondContact O-N 2.77Å; E553-T555 PolarHBondContact O-N 2.93Å; E553-T555 PolarHBondContact O-OG1 2.56Å; E553-A630 WeakPolarHBondContact O-CB 3.28Å
554H87.9Confident87Confident114 Ų11469.1 Ų69.153%0.52835%0.348SS..PPolyproline II helixtrans-59.2121.6171.8-53.2-73.3000110H631 Y633H554-H631 CarbonylContact C-O 3.52Å; H554-H631 VanDerWaalsContact CA-O 3.25Å; H554-H631 WeakPolarHBondContact CA-O 3.24Å; H554-H631 PolarHBondContact ND1-N 3Å; H554-H631 VanDerWaalsContact ND1-N 3.15Å; H554-Y633 HydrophobicContact CB-CE2 4.08Å
555T85.4Confident87Confident36 Ų3666.9 Ų66.922%0.22133%0.334CS..EExtended strand (participates in β ladder)trans-120.5132-170.9-58.40000109.8E553 V557 L565 H631 L632 Y633E553-T555 PolarHBondContact O-N 2.93Å; E553-T555 PolarHBondContact O-OG1 2.56Å; T555-V557 HydrophobicContact CG2-CG2 3.79Å; T555-L565 WeakPolarHBondContact OG1-CD2 3.34Å; T555-H631 PolarHBondContact N-O 3.21Å; T555-L632 HydrophobicContact CG2-CD1 4.39Å; T555-L632 CarbonylContact O-C 3.49Å; T555-L632 WeakPolarHBondContact O-CA 3.39Å; T555-L632 WeakPolarHBondContact O-CD1 2.97Å; T555-Y633 PolarHBondContact O-N 2.78Å
556S86.3Confident87.1Confident84 Ų8468.8 Ų68.859%0.58735%0.345SS*.EExtended strand (participates in β ladder)trans-111.3127.6175-60.30000110.6Y633S556-Y633 CarbonylContact C-O 3.59Å; S556-Y633 VanDerWaalsContact CA-O 3.24Å; S556-Y633 WeakPolarHBondContact CA-O 3.41Å
557V87.6Confident87.5Confident21 Ų2168.8 Ų68.813%0.12735%0.345CS..EExtended strand (participates in β ladder)trans-136.1141.6-174.5-176.30000110.3T555 H561 A563 V607 L632 Y633 V634 V635T555-V557 HydrophobicContact CG2-CG2 3.79Å; V557-H561 HydrophobicContact CG1-CB 3.65Å; V557-A563 HydrophobicContact CB-CB 4.27Å; V557-A563 HydrophobicContact CG1-CB 4.44Å; V557-A563 HydrophobicContact CG2-CB 3.68Å; V557-V607 HydrophobicContact CB-CG2 4.19Å; V557-V607 HydrophobicContact CG1-CG2 3.73Å; V557-L632 HydrophobicContact CB-CD1 4.46Å; V557-L632 HydrophobicContact CG2-CD1 4Å; V557-Y633 PolarHBondContact N-O 3.21Å; V557-V634 CarbonylContact O-C 3.54Å; V557-V634 WeakPolarHBondContact O-CA 3.47Å; V557-V635 PolarHBondContact O-N 3.02Å
558Y82.8Confident87.6Confident116 Ų11665.5 Ų65.546%0.45534%0.335SS..EExtended strand (participates in β ladder)trans-73.1146.5175.8-69.3-70.9000111.9G560 H561 V607 V635Y558-G560 PolarHBondContact O-N 2.97Å; Y558-H561 WeakPolarHBondContact O-CB 3.12Å; Y558-H561 PolarHBondContact O-N 2.65Å; Y558-H561 VanDerWaalsContact O-N 3.13Å; Y558-V607 WeakPolarHBondContact O-CG2 3.26Å; Y558-V635 CarbonylContact C-O 3.6Å; Y558-V635 VanDerWaalsContact CA-O 3.25Å; Y558-V635 WeakPolarHBondContact CA-O 2.96Å; Y558-V635 HydrophobicContact CD1-CB 4.19Å; Y558-V635 HydrophobicContact CE1-CB 4.34Å; Y558-V635 HydrophobicContact CE1-CG1 4.4Å
559Q85.4Confident87.6Confident92 Ų9265.1 Ų65.143%0.4334%0.338SS..THydrogen-bonded Turntrans-49.8136.9173.9-169.1-1788.900111.2H561 V607 V634 V635Q559-H561 VanDerWaalsContact C-N 3.33Å; Q559-H561 PolarHBondContact O-N 2.91Å; Q559-H561 PolarHBondContact O-ND1 3.35Å; Q559-V607 CarbonylContact C-O 3.53Å; Q559-V607 WeakPolarHBondContact CA-O 3.45Å; Q559-V634 HydrophobicContact CB-CG1 4.14Å; Q559-V635 PolarHBondContact N-O 2.78Å
560G78.2Confident87.6Confident42 Ų4259.6 Ų59.643%0.43332%0.318SS..THydrogen-bonded Turntrans82.9-2.8-179.200000115.7Y558 D606 V607Y558-G560 PolarHBondContact O-N 2.97Å; G560-D606 WeakPolarHBondContact CA-OD1 3.49Å; G560-V607 PolarHBondContact N-O 3.46Å
561H85Confident87.4Confident105 Ų10557.9 Ų57.949%0.48631%0.311SS..SBendtrans-94.3178.6175.7-69.767.9000111.8V557 Y558 Q559 D606 V607V557-H561 HydrophobicContact CG1-CB 3.65Å; Y558-H561 WeakPolarHBondContact O-CB 3.12Å; Y558-H561 PolarHBondContact O-N 2.65Å; Y558-H561 VanDerWaalsContact O-N 3.13Å; Q559-H561 VanDerWaalsContact C-N 3.33Å; Q559-H561 PolarHBondContact O-N 2.91Å; Q559-H561 PolarHBondContact O-ND1 3.35Å; H561-D606 PolarHBondContact O-N 3.44Å; H561-D606 VanDerWaalsContact O-N 3.14Å; H561-V607 WeakPolarHBondContact O-CG1 2.99Å; H561-V607 WeakPolarHBondContact O-CG2 2.89Å; H561-V607 PolarHBondContact O-N 3Å
562T86.8Confident86.9Confident73 Ų7356.2 Ų56.245%0.44831%0.305SS..  trans-99125.5175-60.80000109.9V564 I603 I604 R605T562-V564 HydrophobicContact CG2-CG2 4.4Å; T562-I603 HydrophobicContact CG2-CG2 3.49Å; T562-I603 VanDerWaalsContact CG2-CG2 3.49Å; T562-I604 CarbonylContact C-O 3.5Å; T562-I604 VanDerWaalsContact CA-O 3.28Å; T562-I604 WeakPolarHBondContact CA-O 3.4Å; T562-R605 HydrophobicContact CG2-CG 4.08Å
563A88.1Confident86.6Confident0 Ų058 Ų580%032%0.317CS..EExtended strand (participates in β ladder)trans-92.1142.4168.700000111V557 I603 I604 V607 L632V557-A563 HydrophobicContact CB-CB 4.27Å; V557-A563 HydrophobicContact CG1-CB 4.44Å; V557-A563 HydrophobicContact CG2-CB 3.68Å; A563-I603 CarbonylContact O-C 3.54Å; A563-I603 WeakPolarHBondContact O-CA 3.32Å; A563-I604 HydrophobicContact CB-CB 4.35Å; A563-I604 PolarHBondContact N-O 2.95Å; A563-I604 PolarHBondContact O-N 3.26Å; A563-V607 HydrophobicContact CB-CG1 3.66Å; A563-L632 HydrophobicContact CB-CD1 3.48Å; A563-L632 VanDerWaalsContact CB-CD1 3.48Å; A563-L632 HydrophobicContact CB-CD2 3.86Å; A563-L632 HydrophobicContact CB-CG 4.35Å
564V89.9Confident86.2Confident44 Ų4459.6 Ų59.627%0.26732%0.321SS..EExtended strand (participates in β ladder)trans-128.3118.1174.1-170.50000108.2T562 H566 L602 I603T562-V564 HydrophobicContact CG2-CG2 4.4Å; V564-H566 VanDerWaalsContact CG1-CE1 3.48Å; V564-H566 WeakPolarHBondContact CG1-CE1 3.37Å; V564-L602 CarbonylContact C-O 3.53Å; V564-L602 WeakPolarHBondContact CA-O 3.4Å; V564-I603 HydrophobicContact CG1-CG1 4.11Å; V564-I603 HydrophobicContact CG2-CG1 4.11Å
565L90.6Very high85.8Confident0 Ų054.6 Ų54.60%030%0.299CS..EExtended strand (participates in β ladder)trans-101109.9172.5-59.5177.1000108.2T555 C567 W579 S601 L602 Y615 A630T555-L565 WeakPolarHBondContact OG1-CD2 3.34Å; L565-C567 PolarHBondContact O-N 3.43Å; L565-W579 HydrophobicContact CB-CH2 3.49Å; L565-W579 VanDerWaalsContact CB-CH2 3.49Å; L565-W579 HydrophobicContact CB-CZ2 3.94Å; L565-W579 HydrophobicContact CB-CZ3 4.19Å; L565-W579 HydrophobicContact CD1-CH2 4.24Å; L565-W579 HydrophobicContact CD1-CZ3 4.09Å; L565-W579 WeakPolarHBondContact O-CZ2 3.48Å; L565-S601 CarbonylContact O-C 3.44Å; L565-S601 VanDerWaalsContact O-CA 3.26Å; L565-S601 WeakPolarHBondContact O-CA 3.29Å; L565-S601 WeakPolarHBondContact O-CB 3.23Å; L565-L602 HydrophobicContact CB-CB 4.32Å; L565-L602 HydrophobicContact CD1-CD2 4.49Å; L565-L602 PolarHBondContact N-O 3.06Å; L565-L602 PolarHBondContact O-N 2.67Å; L565-Y615 HydrophobicContact CD1-CD1 3.52Å; L565-Y615 HydrophobicContact CD1-CD2 3.86Å; L565-Y615 HydrophobicContact CD1-CE1 4.32Å; L565-Y615 HydrophobicContact CD1-CG 3.29Å; L565-A630 HydrophobicContact CD2-CB 4.47Å
566H89.3Confident85.5Confident97 Ų9759.2 Ų59.245%0.44932%0.318SS..  trans-77120.7-176.9-68.9-57.7000110.9V550 E551 P552 V564 S601V550-H566 HydrophobicContact CG1-CB 3.74Å; E551-H566 CarbonylContact C-O 3.48Å; P552-H566 WeakPolarHBondContact CA-O 3.42Å; P552-H566 VanDerWaalsContact CB-O 3.29Å; P552-H566 WeakPolarHBondContact CB-O 3.47Å; P552-H566 VanDerWaalsContact N-O 3.17Å; V564-H566 VanDerWaalsContact CG1-CE1 3.48Å; V564-H566 WeakPolarHBondContact CG1-CE1 3.37Å; H566-S601 WeakPolarHBondContact CA-OG 3.46Å; H566-S601 PolarHBondContact ND1-OG 3Å
567C89.5Confident85.2Confident0 Ų055.7 Ų55.70%029%0.293CS..  trans-138.6123.8168.4-172.10000109.6F548 V550 P552 L565 V577 W579 N599 G600 S601 C617F548-C567 WeakPolarHBondContact CE1-SG 3.45Å; V550-C567 WeakPolarHBondContact O-CA 3.07Å; P552-C567 HydrophobicContact CB-CB 4.5Å; L565-C567 PolarHBondContact O-N 3.43Å; C567-V577 HydrophobicContact CB-CG1 4.47Å; C567-W579 HydrophobicContact CB-CH2 3.97Å; C567-W579 HydrophobicContact CB-CZ2 3.25Å; C567-N599 VanDerWaalsContact O-O 3.13Å; C567-G600 CarbonylContact O-C 3.52Å; C567-G600 WeakPolarHBondContact O-CA 3.48Å; C567-G600 VanDerWaalsContact O-O 3.13Å; C567-S601 PolarHBondContact N-OG 2.86Å; C567-S601 PolarHBondContact O-N 2.89Å; C567-C617 HydrophobicContact CB-CB 3.61Å; C567-C617 WeakPolarHBondContact CB-SG 3.35Å; C567-C617 WeakPolarHBondContact SG-CB 3.44Å; C567-C617 CovalentContact SG-SG 2.01Å; C567-C617 PolarHBondContact SG-SG 3.24Å
568Q91Very high84.7Confident63 Ų6357.4 Ų57.429%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-137.9124.6177.9-54.1-171.79.100108.2F548 K549 V550 N599F548-Q568 CarbonylContact C-O 3.58Å; K549-Q568 HydrophobicContact CB-CB 4.35Å; K549-Q568 PolarHBondContact N-O 3.41Å; V550-Q568 HydrophobicContact CB-CB 3.96Å; V550-Q568 HydrophobicContact CB-CG 4.02Å; V550-Q568 HydrophobicContact CG2-CB 4.08Å; V550-Q568 HydrophobicContact CG2-CG 4.06Å; V550-Q568 PolarHBondContact N-O 2.99Å; V550-Q568 VanDerWaalsContact N-O 3.07Å; V550-Q568 PolarHBondContact O-N 3.36Å; Q568-N599 WeakPolarHBondContact CG-O 3.42Å
569A86.9Confident84.5Confident21 Ų2151.9 Ų51.917%0.17428%0.278CS..EExtended strand (participates in β ladder)trans-116155.9176.800000111.2V546 R547 F548 P575 V577 A619V546-A569 HydrophobicContact CG1-CB 4.02Å; R547-A569 WeakPolarHBondContact O-CA 3.47Å; F548-A569 HydrophobicContact CD1-CB 4.15Å; F548-A569 HydrophobicContact CE1-CB 4.32Å; A569-P575 HydrophobicContact CB-CB 4.39Å; A569-P575 HydrophobicContact CB-CG 3.82Å; A569-V577 HydrophobicContact CB-CG2 3.97Å; A569-A619 HydrophobicContact CB-CB 3.3Å
570S88.5Confident84Confident34 Ų3449.5 Ų49.524%0.23827%0.268CS..EExtended strand (participates in β ladder)trans-130.9156.1172.258.70000110.5V546 R547V546-S570 CarbonylContact C-O 3.51Å; V546-S570 WeakPolarHBondContact CA-O 3.24Å; R547-S570 PolarHBondContact N-O 2.89Å; R547-S570 PolarHBondContact O-N 2.83Å; R547-S570 PolarHBondContact O-OG 3.49Å
571G86.6Confident83.9Confident18 Ų1848.3 Ų48.319%0.18625%0.252CS..EExtended strand (participates in β ladder)trans168.3166.1-17500000107.2V544 P573 K574V544-G571 CarbonylContact O-C 3.44Å; V544-G571 WeakPolarHBondContact O-CA 3.22Å; G571-P573 CarbonylContact C-O 3.56Å; G571-P573 VanDerWaalsContact C-O 3.25Å; G571-P573 CarbonylContact O-C 3.55Å; G571-K574 WeakPolarHBondContact O-CA 3.47Å
572D81.4Confident82.7Confident59 Ų5947.4 Ų47.432%0.31625%0.246SC..EExtended strand (participates in β ladder)trans-139.4106.9177.5-171.28.7000106.7R516 A543 V544R516-D572 IonicContact CZ-OD2 3.81Å; R516-D572 IonicContact NH1-OD2 3.56Å; R516-D572 PolarHBondContact NH1-OD2 3.4Å; R516-D572 IonicContact NH2-OD2 3.3Å; R516-D572 PolarHBondContact NH2-OD2 3.35Å; A543-D572 CarbonylContact C-O 3.6Å; A543-D572 WeakPolarHBondContact CA-O 3.37Å; A543-D572 WeakPolarHBondContact CB-O 3.14Å; V544-D572 HydrophobicContact CB-CB 3.88Å; V544-D572 HydrophobicContact CG2-CB 3.97Å; V544-D572 PolarHBondContact N-O 2.97Å; V544-D572 PolarHBondContact O-N 3.32Å
573P81.8Confident81Confident48 Ų4847.4 Ų47.431%0.31224%0.244SC..SBendcis-63.4150.59.9-23.335.2000113.8G571 P575 N621G571-P573 CarbonylContact C-O 3.56Å; G571-P573 VanDerWaalsContact C-O 3.25Å; G571-P573 CarbonylContact O-C 3.55Å; P573-P575 VanDerWaalsContact O-N 3.15Å; P573-N621 HydrophobicContact CB-CB 4.44Å; P573-N621 WeakPolarHBondContact O-CB 3Å; P573-N621 PolarHBondContact O-ND2 3.48Å
574K80.6Confident79.3Confident184 Ų18452.9 Ų52.980%0.827%0.268SS*.PPolyproline II helixtrans-53.3122.7-178.1-175.5-179.1176.7-173.10110.1G571G571-K574 WeakPolarHBondContact O-CA 3.47Å
575P80.1Confident77.7Confident10 Ų1055.3 Ų55.37%0.06528%0.282CS..PPolyproline II helixtrans-68.6140.9-178.826.6-33.1000110.9V546 A569 P573 A619 G620V546-P575 HydrophobicContact CG1-CB 4.18Å; V546-P575 HydrophobicContact CG1-CG 4.39Å; V546-P575 HydrophobicContact CG2-CB 3.84Å; V546-P575 HydrophobicContact CG2-CG 4.48Å; A569-P575 HydrophobicContact CB-CB 4.39Å; A569-P575 HydrophobicContact CB-CG 3.82Å; P573-P575 VanDerWaalsContact O-N 3.15Å; P575-A619 HydrophobicContact CB-CB 4.49Å; P575-G620 CarbonylContact C-O 3.54Å; P575-G620 WeakPolarHBondContact CA-O 3.25Å
576H78.3Confident76.5Confident133 Ų13357.9 Ų57.962%0.61630%0.296SS*.EExtended strand (participates in β ladder)trans-84.9123.1164.8-167.822.9000108.3A619 G620H576-A619 WeakPolarHBondContact O-CA 3.44Å; H576-G620 PolarHBondContact N-O 2.75Å; H576-G620 PolarHBondContact O-N 3.26Å
577V80.2Confident74.9Confident10 Ų1055.3 Ų55.36%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-86.9140.7169.6176.20000107.7C567 A569 G600 C617 V618 A619C567-V577 HydrophobicContact CB-CG1 4.47Å; A569-V577 HydrophobicContact CB-CG2 3.97Å; V577-G600 WeakPolarHBondContact CG1-O 3.3Å; V577-C617 WeakPolarHBondContact CG1-SG 3.34Å; V577-V618 CarbonylContact C-O 3.52Å; V577-V618 WeakPolarHBondContact CA-O 3.25Å; V577-A619 HydrophobicContact CG2-CB 4.11Å
578H78.6Confident72.7Confident56 Ų5663.7 Ų63.726%0.25934%0.338SS..EExtended strand (participates in β ladder)trans-145.3160.5165.562.5-81.5000109.2V618H578-V618 VanDerWaalsContact CE1-CB 3.46Å; H578-V618 WeakPolarHBondContact CE1-CB 3.23Å; H578-V618 WeakPolarHBondContact CE1-CG1 3.38Å; H578-V618 PolarHBondContact N-O 2.97Å; H578-V618 PolarHBondContact ND1-O 2.93Å; H578-V618 WeakPolarHBondContact NE2-CB 3.46Å; H578-V618 PolarHBondContact O-N 3.46Å
579W78.9Confident70.4Confident1 Ų165.8 Ų65.80%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-112.5135.6-178-73.486.4000112.1P552 L565 C567 V581 L586 G600 L602 T616 C617P552-W579 HydrophobicContact CB-CH2 3.44Å; P552-W579 VanDerWaalsContact CB-CH2 3.44Å; P552-W579 HydrophobicContact CB-CZ2 4.33Å; P552-W579 HydrophobicContact CB-CZ3 4.17Å; P552-W579 HydrophobicContact CG-CH2 3.96Å; P552-W579 HydrophobicContact CG-CZ3 4.37Å; L565-W579 HydrophobicContact CB-CH2 3.49Å; L565-W579 VanDerWaalsContact CB-CH2 3.49Å; L565-W579 HydrophobicContact CB-CZ2 3.94Å; L565-W579 HydrophobicContact CB-CZ3 4.19Å; L565-W579 HydrophobicContact CD1-CH2 4.24Å; L565-W579 HydrophobicContact CD1-CZ3 4.09Å; L565-W579 WeakPolarHBondContact O-CZ2 3.48Å; C567-W579 HydrophobicContact CB-CH2 3.97Å; C567-W579 HydrophobicContact CB-CZ2 3.25Å; W579-V581 HydrophobicContact CB-CG2 4.21Å; W579-L586 PolarHBondContact O-N 2.87Å; W579-G600 PolarHBondContact NE1-O 3.08Å; W579-L602 HydrophobicContact CB-CD1 4.25Å; W579-L602 HydrophobicContact CB-CD2 4.25Å; W579-L602 HydrophobicContact CD2-CB 3.91Å; W579-L602 HydrophobicContact CD2-CD2 4.22Å; W579-L602 HydrophobicContact CE3-CD2 4.45Å; W579-L602 HydrophobicContact CG-CB 4.01Å; W579-L602 HydrophobicContact CG-CD1 4.12Å; W579-L602 HydrophobicContact CG-CD2 4.15Å; W579-L602 HydrophobicContact CG-CG 4.34Å; W579-L602 HydrophobicContact CZ2-CB 4.04Å; W579-T616 WeakPolarHBondContact CA-O 3.43Å; W579-C617 HydrophobicContact CD2-CB 4.07Å; W579-C617 HydrophobicContact CE3-CB 3.94Å; W579-C617 HydrophobicContact CH2-CB 3.8Å; W579-C617 HydrophobicContact CZ2-CB 3.88Å; W579-C617 HydrophobicContact CZ3-CB 3.79Å
580I74.8Confident68.5Low42 Ų4272.4 Ų72.422%0.21539%0.388CS..EExtended strand (participates in β ladder)trans-101.7115.9166.3-55.1175000106.3K584 V585 Y615 T616 V618I580-K584 CarbonylContact C-O 3.59Å; I580-K584 WeakPolarHBondContact CA-O 3.48Å; I580-V585 HydrophobicContact CG1-CG2 4.28Å; I580-Y615 CarbonylContact O-C 3.53Å; I580-Y615 WeakPolarHBondContact O-CA 3.4Å; I580-T616 PolarHBondContact N-O 2.88Å; I580-T616 PolarHBondContact O-N 2.96Å; I580-V618 HydrophobicContact CD1-CG2 3.67Å; I580-V618 HydrophobicContact CG1-CG2 4.13Å
581V74.3Confident67.1Low16 Ų1674.2 Ų74.210%0.09740%0.395CS..EExtended strand (participates in β ladder)trans-115.2116.6-175.4174.10000108.5W579 D583 K584 L586 L602 Y615W579-V581 HydrophobicContact CB-CG2 4.21Å; V581-D583 PolarHBondContact O-N 2.91Å; V581-K584 PolarHBondContact N-O 2.9Å; V581-K584 PolarHBondContact O-N 3.4Å; V581-K584 VanDerWaalsContact O-N 3.17Å; V581-L586 HydrophobicContact CB-CD1 3.81Å; V581-L586 HydrophobicContact CG2-CD1 3.22Å; V581-L602 HydrophobicContact CG2-CD2 3.76Å; V581-Y615 HydrophobicContact CB-CD1 4.06Å; V581-Y615 HydrophobicContact CB-CE1 3.94Å; V581-Y615 HydrophobicContact CG1-CD1 3.82Å; V581-Y615 HydrophobicContact CG1-CE1 3.22Å; V581-Y615 HydrophobicContact CG2-CD1 3.32Å; V581-Y615 HydrophobicContact CG2-CE1 3.51Å; V581-Y615 HydrophobicContact CG2-CG 4.33Å
582K60.4Low66.2Low86 Ų8679.1 Ų79.137%0.37442%0.417SS..THydrogen-bonded Turntrans48.948.5-175.4-56.1170.8-176.1159.80111.2K584 D610 Q614K582-K584 PolarHBondContact O-N 2.81Å; K582-D610 WeakPolarHBondContact CE-O 3.35Å; K582-D610 PolarHBondContact NZ-O 2.77Å; K582-Q614 PolarHBondContact N-O 3.3Å; K582-Q614 VanDerWaalsContact N-O 3.1Å
583D51.1Low66.2Low74 Ų7479.5 Ų79.540%0.39641%0.414SS..THydrogen-bonded Turntrans6420.2175.6-41.7-47.7000116V581 L833V581-D583 PolarHBondContact O-N 2.91Å; D583-L833 HydrophobicContact CB-CD2 3.14Å
584K52.2Low66.2Low115 Ų11578.2 Ų78.250%0.540%0.404SS..EExtended strand (participates in β ladder)trans-118.1132.1167.1-68.8-176.6178.8-1780110.2I580 V581 K582 L586 S893I580-K584 CarbonylContact C-O 3.59Å; I580-K584 WeakPolarHBondContact CA-O 3.48Å; V581-K584 PolarHBondContact N-O 2.9Å; V581-K584 PolarHBondContact O-N 3.4Å; V581-K584 VanDerWaalsContact O-N 3.17Å; K582-K584 PolarHBondContact O-N 2.81Å; K584-L586 PolarHBondContact O-N 2.79Å; K584-S893 VanDerWaalsContact CE-OG 3.23Å; K584-S893 WeakPolarHBondContact CE-OG 3.31Å
585V57.1Low66.2Low94 Ų9472.7 Ų72.757%0.5738%0.381SS*.EExtended strand (participates in β ladder)trans-60127.9167.9-178.40000107.4I580 G587I580-V585 HydrophobicContact CG1-CG2 4.28Å; V585-G587 VanDerWaalsContact C-N 3.35Å; V585-G587 PolarHBondContact O-N 2.53Å
586L64.7Low66.2Low55 Ų5575.7 Ų75.729%0.28839%0.394SS..  trans-63.999.4175.2-127.1122.9000108.3W579 V581 K584 I594 L602W579-L586 PolarHBondContact O-N 2.87Å; V581-L586 HydrophobicContact CB-CD1 3.81Å; V581-L586 HydrophobicContact CG2-CD1 3.22Å; K584-L586 PolarHBondContact O-N 2.79Å; L586-I594 HydrophobicContact CD1-CG2 3.84Å; L586-I594 HydrophobicContact CD2-CG2 4.02Å; L586-L602 HydrophobicContact CD1-CD1 4.14Å; L586-L602 HydrophobicContact CD1-CD2 4.49Å
587G55Low66.3Low42 Ų4272.4 Ų72.443%0.43338%0.38SS..  trans-64.8159.4171.300000110.1V585 T589V585-G587 VanDerWaalsContact C-N 3.35Å; V585-G587 PolarHBondContact O-N 2.53Å; G587-T589 PolarHBondContact O-N 2.94Å
588I45.3Very low66.3Low177 Ų17778.5 Ų78.591%0.90842%0.42SS*.SBendtrans-69.258.1169-47.6170.5000108.7
589T42.4Very low66.4Low106 Ų10679 Ų7965%0.6542%0.424SS*.  trans-91.1124.1165.7460000106.1G587 N591G587-T589 PolarHBondContact O-N 2.94Å; T589-N591 PolarHBondContact O-N 2.75Å
590N46.6Very low66.5Low160 Ų16079.1 Ų79.186%0.85643%0.426SS*.  trans-62.268.8176.2-81-15.5000110.9
591N59.6Low67.2Low73 Ų7377.1 Ų77.139%0.3942%0.416SS..  trans-97.793.8168.7-168.1-4.8000106.8T589 R593 I594T589-N591 PolarHBondContact O-N 2.75Å; N591-R593 PolarHBondContact O-N 3.36Å; N591-R593 WeakPolarHBondContact OD1-CB 3.47Å; N591-R593 PolarHBondContact OD1-N 2.76Å; N591-I594 PolarHBondContact O-N 2.84Å; N591-I594 VanDerWaalsContact O-O 3.13Å
592D66.3Low67.9Low121 Ų12176.4 Ų76.465%0.64741%0.411SS*.THydrogen-bonded Turntrans-55.1-15.3179.6-73.3-31.8000113.6Q595 R605D592-Q595 PolarHBondContact O-NE2 2.91Å; D592-R605 PolarHBondContact O-NH1 3.07Å
593R81.8Confident69.3Low66 Ų6673.4 Ų73.425%0.24940%0.399CS..THydrogen-bonded Turntrans-76.9-39.8176.9-158.5178.169.178.8-6113.8N591 I604 R605 D611N591-R593 PolarHBondContact O-N 3.36Å; N591-R593 WeakPolarHBondContact OD1-CB 3.47Å; N591-R593 PolarHBondContact OD1-N 2.76Å; R593-I604 CarbonylContact O-C 3.26Å; R593-I604 WeakPolarHBondContact O-CA 3.35Å; R593-R605 WeakPolarHBondContact CD-O 3.44Å; R593-R605 HydrophobicContact CG-CB 4.38Å; R593-R605 WeakPolarHBondContact CG-O 3.42Å; R593-R605 PolarHBondContact NH1-O 3.35Å; R593-R605 PolarHBondContact O-N 2.98Å; R593-D611 IonicContact CZ-OD1 2.81Å; R593-D611 IonicContact CZ-OD2 3.92Å; R593-D611 VanDerWaalsContact NH1-CG 3.34Å; R593-D611 IonicContact NH1-OD1 2.91Å; R593-D611 PolarHBondContact NH1-OD1 3.42Å; R593-D611 IonicContact NH1-OD2 3.89Å; R593-D611 PolarHBondContact NH1-OD2 2.91Å; R593-D611 IonicContact NH2-OD1 2.78Å; R593-D611 PolarHBondContact NH2-OD1 2.91Å; R593-D611 IonicContact NH2-OD2 3.28Å; R593-D611 PolarHBondContact NH2-OD2 3.24Å
594I82.4Confident71.1Confident21 Ų2169.9 Ų69.911%0.10838%0.38CS..EExtended strand (participates in β ladder)trans-119.3108.6-178.7-53.3-174.3000109.2L586 N591 L602 I603 I604L586-I594 HydrophobicContact CD1-CG2 3.84Å; L586-I594 HydrophobicContact CD2-CG2 4.02Å; N591-I594 PolarHBondContact O-N 2.84Å; N591-I594 VanDerWaalsContact O-O 3.13Å; I594-L602 HydrophobicContact CG2-CD1 3.8Å; I594-L602 HydrophobicContact CG2-CD2 4.24Å; I594-L602 HydrophobicContact CG2-CG 4.13Å; I594-I603 CarbonylContact C-O 3.28Å; I594-I603 WeakPolarHBondContact CA-O 3.44Å; I594-I604 HydrophobicContact CD1-CG2 4.24Å; I594-I604 HydrophobicContact CG1-CB 4.45Å; I594-I604 HydrophobicContact CG1-CG1 4.25Å; I594-I604 HydrophobicContact CG1-CG2 3.96Å; I594-I604 HydrophobicContact CG2-CG1 3.98Å
595Q79.3Confident72.8Confident69 Ų6969 Ų6932%0.32237%0.374SS..EExtended strand (participates in β ladder)trans-127.6130.5-173-70-178.9-12.500111D592 I603D592-Q595 PolarHBondContact O-NE2 2.91Å; Q595-I603 PolarHBondContact N-O 3.01Å; Q595-I603 PolarHBondContact O-N 2.81Å
596E80.3Confident74.2Confident72 Ų7269.2 Ų69.234%0.33637%0.372SS..EExtended strand (participates in β ladder)trans-76.8126.3164.5-168-175.9147.300109.5
597M81.9Confident75.2Confident65 Ų6566.6 Ų66.632%0.3236%0.358SS..  trans-76.9155.9176-65.6-169.481.200111.2N599 G600 S601 I603M597-N599 WeakPolarHBondContact CB-OD1 3.39Å; M597-N599 PolarHBondContact O-N 2.9Å; M597-G600 PolarHBondContact O-N 2.82Å; M597-S601 VanDerWaalsContact CB-O 3.28Å; M597-S601 WeakPolarHBondContact CB-O 3.48Å; M597-S601 WeakPolarHBondContact CG-O 3.19Å; M597-S601 PolarHBondContact N-O 3.4Å; M597-I603 HydrophobicContact CE-CD1 3.92Å; M597-I603 HydrophobicContact CG-CD1 3.54Å; M597-I603 HydrophobicContact CG-CG1 3.68Å; M597-I603 HydrophobicContact SD-CD1 3.35Å; M597-I603 WeakPolarHBondContact SD-CD1 3.41Å; M597-I603 HydrophobicContact SD-CG1 3.69Å
598P79.4Confident76.6Confident137 Ų13766.5 Ų66.589%0.8935%0.349SS*.THydrogen-bonded Turntrans-57.9-18.3175.3-25.434.2000115.3G600P598-G600 VanDerWaalsContact C-N 3.35Å
599N80.3Confident78.2Confident67 Ų6761.2 Ų61.236%0.35833%0.325SS..THydrogen-bonded Turntrans-87.5-0.8175.368.80.8000113.4C567 Q568 M597 S601C567-N599 VanDerWaalsContact O-O 3.13Å; Q568-N599 WeakPolarHBondContact CG-O 3.42Å; M597-N599 WeakPolarHBondContact CB-OD1 3.39Å; M597-N599 PolarHBondContact O-N 2.9Å; N599-S601 VanDerWaalsContact OD1-CB 3.25Å; N599-S601 WeakPolarHBondContact OD1-CB 3.36Å; N599-S601 PolarHBondContact OD1-N 3.34Å; N599-S601 PolarHBondContact OD1-OG 3.4Å; N599-S601 VanDerWaalsContact OD1-OG 3.1Å
600G81.7Confident80Confident4 Ų462 Ų624%0.04133%0.326CS..SBendtrans90.1-1.5-177.400000114.6C567 V577 W579 M597 P598C567-G600 CarbonylContact O-C 3.52Å; C567-G600 WeakPolarHBondContact O-CA 3.48Å; C567-G600 VanDerWaalsContact O-O 3.13Å; V577-G600 WeakPolarHBondContact CG1-O 3.3Å; W579-G600 PolarHBondContact NE1-O 3.08Å; M597-G600 PolarHBondContact O-N 2.82Å; P598-G600 VanDerWaalsContact C-N 3.35Å
601S88.9Confident81.7Confident0 Ų054.6 Ų54.60%029%0.286CS..PPolyproline II helixtrans-81.2144.8178.9-55.20000110.9L565 H566 C567 M597 N599L565-S601 CarbonylContact O-C 3.44Å; L565-S601 VanDerWaalsContact O-CA 3.26Å; L565-S601 WeakPolarHBondContact O-CA 3.29Å; L565-S601 WeakPolarHBondContact O-CB 3.23Å; H566-S601 WeakPolarHBondContact CA-OG 3.46Å; H566-S601 PolarHBondContact ND1-OG 3Å; C567-S601 PolarHBondContact N-OG 2.86Å; C567-S601 PolarHBondContact O-N 2.89Å; M597-S601 VanDerWaalsContact CB-O 3.28Å; M597-S601 WeakPolarHBondContact CB-O 3.48Å; M597-S601 WeakPolarHBondContact CG-O 3.19Å; M597-S601 PolarHBondContact N-O 3.4Å; N599-S601 VanDerWaalsContact OD1-CB 3.25Å; N599-S601 WeakPolarHBondContact OD1-CB 3.36Å; N599-S601 PolarHBondContact OD1-N 3.34Å; N599-S601 PolarHBondContact OD1-OG 3.4Å; N599-S601 VanDerWaalsContact OD1-OG 3.1Å
602L89.2Confident83Confident0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-94.9126.5177.9-167.971.6000110.7V564 L565 W579 V581 L586 I594 I604 Y615V564-L602 CarbonylContact C-O 3.53Å; V564-L602 WeakPolarHBondContact CA-O 3.4Å; L565-L602 HydrophobicContact CB-CB 4.32Å; L565-L602 HydrophobicContact CD1-CD2 4.49Å; L565-L602 PolarHBondContact N-O 3.06Å; L565-L602 PolarHBondContact O-N 2.67Å; W579-L602 HydrophobicContact CB-CD1 4.25Å; W579-L602 HydrophobicContact CB-CD2 4.25Å; W579-L602 HydrophobicContact CD2-CB 3.91Å; W579-L602 HydrophobicContact CD2-CD2 4.22Å; W579-L602 HydrophobicContact CE3-CD2 4.45Å; W579-L602 HydrophobicContact CG-CB 4.01Å; W579-L602 HydrophobicContact CG-CD1 4.12Å; W579-L602 HydrophobicContact CG-CD2 4.15Å; W579-L602 HydrophobicContact CG-CG 4.34Å; W579-L602 HydrophobicContact CZ2-CB 4.04Å; V581-L602 HydrophobicContact CG2-CD2 3.76Å; L586-L602 HydrophobicContact CD1-CD1 4.14Å; L586-L602 HydrophobicContact CD1-CD2 4.49Å; I594-L602 HydrophobicContact CG2-CD1 3.8Å; I594-L602 HydrophobicContact CG2-CD2 4.24Å; I594-L602 HydrophobicContact CG2-CG 4.13Å; L602-I604 HydrophobicContact CD2-CD1 4.07Å; L602-I604 HydrophobicContact CD2-CG1 4.16Å; L602-I604 HydrophobicContact CG-CG1 4.26Å; L602-Y615 HydrophobicContact CD2-CD1 3.45Å; L602-Y615 VanDerWaalsContact CD2-CD1 3.45Å; L602-Y615 HydrophobicContact CD2-CE1 3.74Å
603I89.2Confident83.7Confident23 Ų2347.9 Ų47.912%0.11826%0.255CS..EExtended strand (participates in β ladder)trans-104131170.2-67.1-178.4000108.9T562 A563 V564 I594 Q595 M597 R605T562-I603 HydrophobicContact CG2-CG2 3.49Å; T562-I603 VanDerWaalsContact CG2-CG2 3.49Å; A563-I603 CarbonylContact O-C 3.54Å; A563-I603 WeakPolarHBondContact O-CA 3.32Å; V564-I603 HydrophobicContact CG1-CG1 4.11Å; V564-I603 HydrophobicContact CG2-CG1 4.11Å; I594-I603 CarbonylContact C-O 3.28Å; I594-I603 WeakPolarHBondContact CA-O 3.44Å; Q595-I603 PolarHBondContact N-O 3.01Å; Q595-I603 PolarHBondContact O-N 2.81Å; M597-I603 HydrophobicContact CE-CD1 3.92Å; M597-I603 HydrophobicContact CG-CD1 3.54Å; M597-I603 HydrophobicContact CG-CG1 3.68Å; M597-I603 HydrophobicContact SD-CD1 3.35Å; M597-I603 WeakPolarHBondContact SD-CD1 3.41Å; M597-I603 HydrophobicContact SD-CG1 3.69Å; I603-R605 HydrophobicContact CG2-CG 3.98Å
604I90.4Very high83.7Confident0 Ų047.4 Ų47.40%026%0.256CS..EExtended strand (participates in β ladder)trans-123.1105.9174-54.9155000106.1T562 A563 R593 I594 L602 V607 D611 Y615 L632T562-I604 CarbonylContact C-O 3.5Å; T562-I604 VanDerWaalsContact CA-O 3.28Å; T562-I604 WeakPolarHBondContact CA-O 3.4Å; A563-I604 HydrophobicContact CB-CB 4.35Å; A563-I604 PolarHBondContact N-O 2.95Å; A563-I604 PolarHBondContact O-N 3.26Å; R593-I604 CarbonylContact O-C 3.26Å; R593-I604 WeakPolarHBondContact O-CA 3.35Å; I594-I604 HydrophobicContact CD1-CG2 4.24Å; I594-I604 HydrophobicContact CG1-CB 4.45Å; I594-I604 HydrophobicContact CG1-CG1 4.25Å; I594-I604 HydrophobicContact CG1-CG2 3.96Å; I594-I604 HydrophobicContact CG2-CG1 3.98Å; L602-I604 HydrophobicContact CD2-CD1 4.07Å; L602-I604 HydrophobicContact CD2-CG1 4.16Å; L602-I604 HydrophobicContact CG-CG1 4.26Å; I604-V607 HydrophobicContact CB-CG1 4.05Å; I604-V607 HydrophobicContact CG2-CG1 3.66Å; I604-V607 VanDerWaalsContact O-CG1 3.27Å; I604-V607 WeakPolarHBondContact O-CG1 3.3Å; I604-D611 HydrophobicContact CG2-CB 4.41Å; I604-Y615 HydrophobicContact CD1-CD1 4.12Å; I604-Y615 HydrophobicContact CD1-CE1 3.33Å; I604-Y615 HydrophobicContact CG1-CE1 4.37Å; I604-L632 HydrophobicContact CD1-CD2 3.55Å
605R87.4Confident83.8Confident96 Ų9646.4 Ų46.436%0.36225%0.25SS..  trans-81.4154.6177.1-60.7-174.2-179.3904.2110.3T562 D592 R593 I603 V607T562-R605 HydrophobicContact CG2-CG 4.08Å; D592-R605 PolarHBondContact O-NH1 3.07Å; R593-R605 WeakPolarHBondContact CD-O 3.44Å; R593-R605 HydrophobicContact CG-CB 4.38Å; R593-R605 WeakPolarHBondContact CG-O 3.42Å; R593-R605 PolarHBondContact NH1-O 3.35Å; R593-R605 PolarHBondContact O-N 2.98Å; I603-R605 HydrophobicContact CG2-CG 3.98Å; R605-V607 VanDerWaalsContact C-N 3.33Å; R605-V607 PolarHBondContact O-N 2.82Å
606D85.4Confident84.1Confident99 Ų9943.8 Ų43.853%0.52924%0.239SC..SBendtrans47.356.2175.3-165.727.2000111.9G560 H561 T608G560-D606 WeakPolarHBondContact CA-OD1 3.49Å; H561-D606 PolarHBondContact O-N 3.44Å; H561-D606 VanDerWaalsContact O-N 3.14Å; D606-T608 PolarHBondContact O-N 3.18Å
607V85.8Confident84.3Confident0 Ų040.4 Ų40.40%022%0.223CC..  trans-63.4131.1-172.8-61.10000110.8V557 Y558 Q559 G560 H561 A563 I604 R605 D611 V634V557-V607 HydrophobicContact CB-CG2 4.19Å; V557-V607 HydrophobicContact CG1-CG2 3.73Å; Y558-V607 WeakPolarHBondContact O-CG2 3.26Å; Q559-V607 CarbonylContact C-O 3.53Å; Q559-V607 WeakPolarHBondContact CA-O 3.45Å; G560-V607 PolarHBondContact N-O 3.46Å; H561-V607 WeakPolarHBondContact O-CG1 2.99Å; H561-V607 WeakPolarHBondContact O-CG2 2.89Å; H561-V607 PolarHBondContact O-N 3Å; A563-V607 HydrophobicContact CB-CG1 3.66Å; I604-V607 HydrophobicContact CB-CG1 4.05Å; I604-V607 HydrophobicContact CG2-CG1 3.66Å; I604-V607 VanDerWaalsContact O-CG1 3.27Å; I604-V607 WeakPolarHBondContact O-CG1 3.3Å; R605-V607 VanDerWaalsContact C-N 3.33Å; R605-V607 PolarHBondContact O-N 2.82Å; V607-D611 WeakPolarHBondContact CA-OD2 3.19Å; V607-V634 HydrophobicContact CB-CG1 4.3Å; V607-V634 HydrophobicContact CB-CG2 3.87Å; V607-V634 HydrophobicContact CG2-CB 4.49Å; V607-V634 HydrophobicContact CG2-CG1 3.75Å; V607-V634 HydrophobicContact CG2-CG2 3.91Å
608T84.9Confident84.2Confident41 Ų4137.9 Ų37.925%0.25221%0.212SC..  trans-103.4164173.468.90000110.3D606 D610 D611 V634D606-T608 PolarHBondContact O-N 3.18Å; T608-D610 PolarHBondContact O-N 3.32Å; T608-D610 VanDerWaalsContact O-N 3.13Å; T608-D610 PolarHBondContact OG1-N 3.02Å; T608-D611 PolarHBondContact N-OD2 3.32Å; T608-D611 WeakPolarHBondContact O-CB 3.16Å; T608-D611 PolarHBondContact O-N 2.88Å; T608-D611 PolarHBondContact OG1-OD2 3.46Å; T608-V634 WeakPolarHBondContact O-CB 3.48Å; T608-V634 WeakPolarHBondContact O-CG2 3.5Å
609T79Confident84.3Confident65 Ų6531.4 Ų31.440%0.39917%0.17SC..G310 helixtrans-56.6-27.8173.747.30000112.2D611 T612 D636T609-D611 VanDerWaalsContact C-N 3.3Å; T609-D611 PolarHBondContact O-N 2.67Å; T609-T612 VanDerWaalsContact O-CB 3.28Å; T609-T612 WeakPolarHBondContact O-CB 3.35Å; T609-T612 PolarHBondContact O-N 3.36Å; T609-T612 PolarHBondContact O-OG1 3.13Å; T609-T612 VanDerWaalsContact O-OG1 3.09Å; T609-D636 WeakPolarHBondContact CG2-OD1 3.44Å
610D81.3Confident84Confident123 Ų12329 Ų2966%0.65816%0.16SC*.G310 helixtrans-64.2-32173.6-65.4-34000112.1K582 T608 T612K582-D610 WeakPolarHBondContact CE-O 3.35Å; K582-D610 PolarHBondContact NZ-O 2.77Å; T608-D610 PolarHBondContact O-N 3.32Å; T608-D610 VanDerWaalsContact O-N 3.13Å; T608-D610 PolarHBondContact OG1-N 3.02Å; D610-T612 PolarHBondContact O-N 2.87Å
611D82Confident83.7Confident4 Ų430.2 Ų30.22%0.02117%0.166CC..G310 helixtrans-69.1-11.2178.9-64.2-44.9000114R593 I604 V607 T608 T609 G613 Y615 L632 V634R593-D611 IonicContact CZ-OD1 2.81Å; R593-D611 IonicContact CZ-OD2 3.92Å; R593-D611 VanDerWaalsContact NH1-CG 3.34Å; R593-D611 IonicContact NH1-OD1 2.91Å; R593-D611 PolarHBondContact NH1-OD1 3.42Å; R593-D611 IonicContact NH1-OD2 3.89Å; R593-D611 PolarHBondContact NH1-OD2 2.91Å; R593-D611 IonicContact NH2-OD1 2.78Å; R593-D611 PolarHBondContact NH2-OD1 2.91Å; R593-D611 IonicContact NH2-OD2 3.28Å; R593-D611 PolarHBondContact NH2-OD2 3.24Å; I604-D611 HydrophobicContact CG2-CB 4.41Å; V607-D611 WeakPolarHBondContact CA-OD2 3.19Å; T608-D611 PolarHBondContact N-OD2 3.32Å; T608-D611 WeakPolarHBondContact O-CB 3.16Å; T608-D611 PolarHBondContact O-N 2.88Å; T608-D611 PolarHBondContact OG1-OD2 3.46Å; T609-D611 VanDerWaalsContact C-N 3.3Å; T609-D611 PolarHBondContact O-N 2.67Å; D611-G613 PolarHBondContact O-N 3.48Å; D611-Y615 WeakPolarHBondContact O-CE2 3.15Å; D611-Y615 PolarHBondContact O-OH 3.26Å; D611-L632 HydrophobicContact CB-CD2 4.37Å; D611-V634 HydrophobicContact CB-CG2 4.33Å
612T85.9Confident82.8Confident39 Ų3934.5 Ų34.524%0.23920%0.196CC..  trans-57.3131.4170.6-61.10000110T609 D610 L632 Y633 V634T609-T612 VanDerWaalsContact O-CB 3.28Å; T609-T612 WeakPolarHBondContact O-CB 3.35Å; T609-T612 PolarHBondContact O-N 3.36Å; T609-T612 PolarHBondContact O-OG1 3.13Å; T609-T612 VanDerWaalsContact O-OG1 3.09Å; D610-T612 PolarHBondContact O-N 2.87Å; T612-L632 VanDerWaalsContact CA-O 3.26Å; T612-L632 WeakPolarHBondContact CA-O 3.45Å; T612-L632 WeakPolarHBondContact CG2-O 3.27Å; T612-Y633 HydrophobicContact CG2-CD1 4.47Å; T612-V634 WeakPolarHBondContact OG1-CB 3.24Å; T612-V634 PolarHBondContact OG1-N 3.44Å
613G80.4Confident82.1Confident15 Ų1535.4 Ų35.416%0.15520%0.202CC..EExtended strand (participates in β ladder)trans163-174.7-179.100000114D611 Y615 H631 L632D611-G613 PolarHBondContact O-N 3.48Å; G613-Y615 VanDerWaalsContact O-CD2 3.29Å; G613-Y615 WeakPolarHBondContact O-CD2 3.17Å; G613-H631 WeakPolarHBondContact O-CA 3.37Å; G613-H631 PolarHBondContact O-ND1 3Å; G613-L632 PolarHBondContact N-O 3.15Å; G613-L632 PolarHBondContact O-N 3.23Å
614Q82.8Confident81.4Confident55 Ų5535.1 Ų35.126%0.25720%0.202SC..EExtended strand (participates in β ladder)trans-87.4134.7176.1-167.9177-40.800110.3K582 V629K582-Q614 PolarHBondContact N-O 3.3Å; K582-Q614 VanDerWaalsContact N-O 3.1Å; Q614-V629 VanDerWaalsContact CD-CG1 3.42Å; Q614-V629 HydrophobicContact CG-CG1 3.29Å; Q614-V629 VanDerWaalsContact NE2-CG1 3.29Å
615Y84.8Confident80.5Confident0 Ų039.9 Ų39.90%023%0.227CC..EExtended strand (participates in β ladder)trans-126.9111.7178.9-69.6-105.6000107.2L565 I580 V581 L602 I604 D611 G613 A630 L632L565-Y615 HydrophobicContact CD1-CD1 3.52Å; L565-Y615 HydrophobicContact CD1-CD2 3.86Å; L565-Y615 HydrophobicContact CD1-CE1 4.32Å; L565-Y615 HydrophobicContact CD1-CG 3.29Å; I580-Y615 CarbonylContact O-C 3.53Å; I580-Y615 WeakPolarHBondContact O-CA 3.4Å; V581-Y615 HydrophobicContact CB-CD1 4.06Å; V581-Y615 HydrophobicContact CB-CE1 3.94Å; V581-Y615 HydrophobicContact CG1-CD1 3.82Å; V581-Y615 HydrophobicContact CG1-CE1 3.22Å; V581-Y615 HydrophobicContact CG2-CD1 3.32Å; V581-Y615 HydrophobicContact CG2-CE1 3.51Å; V581-Y615 HydrophobicContact CG2-CG 4.33Å; L602-Y615 HydrophobicContact CD2-CD1 3.45Å; L602-Y615 VanDerWaalsContact CD2-CD1 3.45Å; L602-Y615 HydrophobicContact CD2-CE1 3.74Å; I604-Y615 HydrophobicContact CD1-CD1 4.12Å; I604-Y615 HydrophobicContact CD1-CE1 3.33Å; I604-Y615 HydrophobicContact CG1-CE1 4.37Å; D611-Y615 WeakPolarHBondContact O-CE2 3.15Å; D611-Y615 PolarHBondContact O-OH 3.26Å; G613-Y615 VanDerWaalsContact O-CD2 3.29Å; G613-Y615 WeakPolarHBondContact O-CD2 3.17Å; Y615-A630 PolarHBondContact N-O 3.19Å; Y615-A630 PolarHBondContact O-N 2.88Å; Y615-L632 HydrophobicContact CD2-CB 3.84Å; Y615-L632 HydrophobicContact CE2-CB 3.54Å; Y615-L632 HydrophobicContact CE2-CD2 4.09Å; Y615-L632 HydrophobicContact CE2-CG 4.45Å
616T84.7Confident79.8Confident15 Ų1539 Ų399%0.09223%0.226CC..EExtended strand (participates in β ladder)trans-100.2117.3178.9-51.70000108.9W579 I580 V618 D627 R628 V629W579-T616 WeakPolarHBondContact CA-O 3.43Å; I580-T616 PolarHBondContact N-O 2.88Å; I580-T616 PolarHBondContact O-N 2.96Å; T616-V618 HydrophobicContact CG2-CG2 3.98Å; T616-D627 HydrophobicContact CG2-CB 3.98Å; T616-R628 CarbonylContact C-O 3.51Å; T616-R628 WeakPolarHBondContact CA-O 3.21Å; T616-V629 HydrophobicContact CG2-CG2 4.01Å
617C84.1Confident79.6Confident0 Ų038.3 Ų38.30%022%0.222CC..EExtended strand (participates in β ladder)trans-83.2120.1168-1790000109.2P552 C567 V577 W579 D627 R628P552-C617 HydrophobicContact CG-CB 3.97Å; C567-C617 HydrophobicContact CB-CB 3.61Å; C567-C617 WeakPolarHBondContact CB-SG 3.35Å; C567-C617 WeakPolarHBondContact SG-CB 3.44Å; C567-C617 CovalentContact SG-SG 2.01Å; C567-C617 PolarHBondContact SG-SG 3.24Å; V577-C617 WeakPolarHBondContact CG1-SG 3.34Å; W579-C617 HydrophobicContact CD2-CB 4.07Å; W579-C617 HydrophobicContact CE3-CB 3.94Å; W579-C617 HydrophobicContact CH2-CB 3.8Å; W579-C617 HydrophobicContact CZ2-CB 3.88Å; W579-C617 HydrophobicContact CZ3-CB 3.79Å; C617-D627 CarbonylContact O-C 3.53Å; C617-D627 VanDerWaalsContact O-CA 3.23Å; C617-D627 WeakPolarHBondContact O-CA 3.48Å; C617-R628 PolarHBondContact N-O 3.28Å; C617-R628 PolarHBondContact O-N 3.02Å
618V81.4Confident79.5Confident13 Ų1342.8 Ų42.88%0.07924%0.239CC..EExtended strand (participates in β ladder)trans-111.4121175.7-176.80000108.3V577 H578 I580 T616 I625 D627V577-V618 CarbonylContact C-O 3.52Å; V577-V618 WeakPolarHBondContact CA-O 3.25Å; H578-V618 VanDerWaalsContact CE1-CB 3.46Å; H578-V618 WeakPolarHBondContact CE1-CB 3.23Å; H578-V618 WeakPolarHBondContact CE1-CG1 3.38Å; H578-V618 PolarHBondContact N-O 2.97Å; H578-V618 PolarHBondContact ND1-O 2.93Å; H578-V618 WeakPolarHBondContact NE2-CB 3.46Å; H578-V618 PolarHBondContact O-N 3.46Å; I580-V618 HydrophobicContact CD1-CG2 3.67Å; I580-V618 HydrophobicContact CG1-CG2 4.13Å; T616-V618 HydrophobicContact CG2-CG2 3.98Å; V618-I625 HydrophobicContact CG1-CD1 3.79Å; V618-I625 HydrophobicContact CG1-CG1 3.91Å; V618-D627 HydrophobicContact CG2-CB 4Å
619A80.4Confident79.6Confident0 Ų043.5 Ų43.50%024%0.243CC..EExtended strand (participates in β ladder)trans-113.7120.7177.200000109.5V546 F548 A569 P575 H576 V577 I625 K626V546-A619 HydrophobicContact CG1-CB 3.64Å; F548-A619 HydrophobicContact CE1-CB 3.7Å; F548-A619 HydrophobicContact CZ-CB 3.82Å; A569-A619 HydrophobicContact CB-CB 3.3Å; P575-A619 HydrophobicContact CB-CB 4.49Å; H576-A619 WeakPolarHBondContact O-CA 3.44Å; V577-A619 HydrophobicContact CG2-CB 4.11Å; A619-I625 WeakPolarHBondContact O-CA 3.46Å; A619-K626 PolarHBondContact N-O 2.71Å; A619-K626 PolarHBondContact O-N 2.92Å; A619-K626 VanDerWaalsContact O-O 3.09Å
620G73.9Confident79.9Confident16 Ų1640.4 Ų40.417%0.16522%0.224CC..EExtended strand (participates in β ladder)trans-142.6149.6-177.300000113.3P575 H576 S624P575-G620 CarbonylContact C-O 3.54Å; P575-G620 WeakPolarHBondContact CA-O 3.25Å; H576-G620 PolarHBondContact N-O 2.75Å; H576-G620 PolarHBondContact O-N 3.26Å; G620-S624 CarbonylContact C-O 3.57Å; G620-S624 WeakPolarHBondContact CA-O 3.45Å
621N76.1Confident80.1Confident30 Ų3035.7 Ų35.716%0.1620%0.198CC..  trans-130.5-172.5164.465.821.6000109.3P573 C623 S624P573-N621 HydrophobicContact CB-CB 4.44Å; P573-N621 WeakPolarHBondContact O-CB 3Å; P573-N621 PolarHBondContact O-ND2 3.48Å; N621-C623 PolarHBondContact O-N 2.7Å; N621-C623 WeakPolarHBondContact OD1-CA 3.3Å; N621-C623 PolarHBondContact OD1-N 2.78Å; N621-S624 PolarHBondContact N-O 3.27Å; N621-S624 PolarHBondContact OD1-N 2.85Å; N621-S624 PolarHBondContact OD1-O 3.28Å
622S68.8Low80.4Confident90 Ų9035.5 Ų35.563%0.62920%0.197SC*.SBendtrans-63.1-7.6179.355.70000115.2
623C75.8Confident80.4Confident20 Ų2035 Ų3514%0.13519%0.191CC..SBendtrans-126.9-19.3-172.8-74.70000115.3C467 A543 Y545 N621C467-C623 HydrophobicContact CB-CB 3.38Å; C467-C623 WeakPolarHBondContact CB-SG 3.3Å; C467-C623 WeakPolarHBondContact SG-CA 3.24Å; C467-C623 WeakPolarHBondContact SG-CB 3.41Å; C467-C623 CovalentContact SG-SG 2.04Å; C467-C623 PolarHBondContact SG-SG 2.99Å; A543-C623 HydrophobicContact CB-CB 3.6Å; Y545-C623 HydrophobicContact CE1-CB 4.21Å; N621-C623 PolarHBondContact O-N 2.7Å; N621-C623 WeakPolarHBondContact OD1-CA 3.3Å; N621-C623 PolarHBondContact OD1-N 2.78Å
624S75.1Confident80.7Confident17 Ų1735 Ų3512%0.11919%0.188CC..  trans-157.8141.7-174.3177.50000110.1V546 G620 N621V546-S624 VanDerWaalsContact CG2-O 3.23Å; V546-S624 WeakPolarHBondContact CG2-O 3.19Å; V546-S624 PolarHBondContact N-OG 3.04Å; V546-S624 VanDerWaalsContact N-OG 3.14Å; G620-S624 CarbonylContact C-O 3.57Å; G620-S624 WeakPolarHBondContact CA-O 3.45Å; N621-S624 PolarHBondContact N-O 3.27Å; N621-S624 PolarHBondContact OD1-N 2.85Å; N621-S624 PolarHBondContact OD1-O 3.28Å
625I69.9Low80.6Confident99 Ų9935.6 Ų35.651%0.50820%0.195SC..EExtended strand (participates in β ladder)trans-131.6137.9174.7-170.5169.3000109.2V618 A619V618-I625 HydrophobicContact CG1-CD1 3.79Å; V618-I625 HydrophobicContact CG1-CG1 3.91Å; A619-I625 WeakPolarHBondContact O-CA 3.46Å
626K73Confident80.1Confident78 Ų7840.3 Ų40.334%0.33922%0.22SC..EExtended strand (participates in β ladder)trans-143.1153172-64.2-164.8-177.3171.50110.2V546 F548 A619V546-K626 HydrophobicContact CB-CG 4.46Å; V546-K626 HydrophobicContact CG1-CB 4.48Å; V546-K626 WeakPolarHBondContact O-CD 3.38Å; V546-K626 WeakPolarHBondContact O-CE 3.27Å; V546-K626 PolarHBondContact O-NZ 3.05Å; V546-K626 VanDerWaalsContact O-NZ 3.09Å; F548-K626 HydrophobicContact CD2-CB 4.46Å; F548-K626 HydrophobicContact CE2-CB 3.65Å; F548-K626 HydrophobicContact CZ-CB 4.35Å; F548-K626 WeakPolarHBondContact CZ-O 3.3Å; A619-K626 PolarHBondContact N-O 2.71Å; A619-K626 PolarHBondContact O-N 2.92Å; A619-K626 VanDerWaalsContact O-O 3.09Å
627D82.1Confident78.8Confident85 Ų8547.2 Ų47.246%0.45525%0.249SC..EExtended strand (participates in β ladder)trans-130.2156.4177.867.9-68.1000112.4T616 C617 V618T616-D627 HydrophobicContact CG2-CB 3.98Å; C617-D627 CarbonylContact O-C 3.53Å; C617-D627 VanDerWaalsContact O-CA 3.23Å; C617-D627 WeakPolarHBondContact O-CA 3.48Å; V618-D627 HydrophobicContact CG2-CB 4Å
628R84.3Confident77.4Confident94 Ų9451.4 Ų51.436%0.35528%0.276SS..EExtended strand (participates in β ladder)trans-142.9144.4173-72.1-64.9-179.4-93.42.7110.5F548 E551 P552 T616 C617F548-R628 HydrophobicContact CD1-CG 4.44Å; F548-R628 HydrophobicContact CD2-CG 3.56Å; F548-R628 HydrophobicContact CE1-CG 4.39Å; F548-R628 HydrophobicContact CE2-CB 4.32Å; F548-R628 HydrophobicContact CE2-CG 3.5Å; F548-R628 VanDerWaalsContact CE2-CG 3.5Å; F548-R628 HydrophobicContact CG-CG 4.06Å; F548-R628 HydrophobicContact CZ-CB 4.28Å; F548-R628 HydrophobicContact CZ-CG 3.93Å; E551-R628 HydrophobicContact CB-CG 4.4Å; E551-R628 HydrophobicContact CG-CG 4.09Å; E551-R628 IonicContact OE1-CZ 3.19Å; E551-R628 IonicContact OE1-NE 2.63Å; E551-R628 PolarHBondContact OE1-NE 2.85Å; E551-R628 IonicContact OE1-NH2 2.78Å; E551-R628 PolarHBondContact OE1-NH2 2.87Å; E551-R628 IonicContact OE2-NE 2.66Å; E551-R628 PolarHBondContact OE2-NE 3.01Å; P552-R628 HydrophobicContact CG-CB 3.89Å; T616-R628 CarbonylContact C-O 3.51Å; T616-R628 WeakPolarHBondContact CA-O 3.21Å; C617-R628 PolarHBondContact N-O 3.28Å; C617-R628 PolarHBondContact O-N 3.02Å
629V85.3Confident75.9Confident56 Ų5656.3 Ų56.334%0.33931%0.308SS..EExtended strand (participates in β ladder)trans-111.4133-174.2178.10000110.2Q614 T616Q614-V629 VanDerWaalsContact CD-CG1 3.42Å; Q614-V629 HydrophobicContact CG-CG1 3.29Å; Q614-V629 VanDerWaalsContact NE2-CG1 3.29Å; T616-V629 HydrophobicContact CG2-CG2 4.01Å
630A86.3Confident74.5Confident0 Ų065.3 Ų65.30%035%0.35CS..EExtended strand (participates in β ladder)trans-126.5149.3168.100000111P552 E553 L565 Y615P552-A630 HydrophobicContact CB-CB 3.64Å; P552-A630 HydrophobicContact CG-CB 4.09Å; E553-A630 WeakPolarHBondContact O-CB 3.28Å; L565-A630 HydrophobicContact CD2-CB 4.47Å; Y615-A630 PolarHBondContact N-O 3.19Å; Y615-A630 PolarHBondContact O-N 2.88Å
631H85.3Confident72.9Confident24 Ų2473 Ų7311%0.11138%0.381CS..EExtended strand (participates in β ladder)trans-103.5132.8170.1-86-92.2000110.7H554 T555 G613 Y633 V850H554-H631 CarbonylContact C-O 3.52Å; H554-H631 VanDerWaalsContact CA-O 3.25Å; H554-H631 WeakPolarHBondContact CA-O 3.24Å; H554-H631 PolarHBondContact ND1-N 3Å; H554-H631 VanDerWaalsContact ND1-N 3.15Å; T555-H631 PolarHBondContact N-O 3.21Å; G613-H631 WeakPolarHBondContact O-CA 3.37Å; G613-H631 PolarHBondContact O-ND1 3Å; H631-Y633 HydrophobicContact CB-CE1 3.85Å; H631-Y633 HydrophobicContact CB-CE2 3.99Å; H631-Y633 WeakPolarHBondContact CB-OH 3.44Å; H631-V850 VanDerWaalsContact CE1-CG1 3.45Å; H631-V850 WeakPolarHBondContact CE1-CG1 3.49Å; H631-V850 VanDerWaalsContact CE1-CG2 3.44Å; H631-V850 WeakPolarHBondContact CE1-CG2 3.4Å
632L89.2Confident71.4Confident0 Ų079.3 Ų79.30%042%0.415CS..EExtended strand (participates in β ladder)trans-95.4126.2166.4178.462.3000108.9T555 V557 A563 I604 D611 T612 G613 Y615 V634T555-L632 HydrophobicContact CG2-CD1 4.39Å; T555-L632 CarbonylContact O-C 3.49Å; T555-L632 WeakPolarHBondContact O-CA 3.39Å; T555-L632 WeakPolarHBondContact O-CD1 2.97Å; V557-L632 HydrophobicContact CB-CD1 4.46Å; V557-L632 HydrophobicContact CG2-CD1 4Å; A563-L632 HydrophobicContact CB-CD1 3.48Å; A563-L632 VanDerWaalsContact CB-CD1 3.48Å; A563-L632 HydrophobicContact CB-CD2 3.86Å; A563-L632 HydrophobicContact CB-CG 4.35Å; I604-L632 HydrophobicContact CD1-CD2 3.55Å; D611-L632 HydrophobicContact CB-CD2 4.37Å; T612-L632 VanDerWaalsContact CA-O 3.26Å; T612-L632 WeakPolarHBondContact CA-O 3.45Å; T612-L632 WeakPolarHBondContact CG2-O 3.27Å; G613-L632 PolarHBondContact N-O 3.15Å; G613-L632 PolarHBondContact O-N 3.23Å; Y615-L632 HydrophobicContact CD2-CB 3.84Å; Y615-L632 HydrophobicContact CE2-CB 3.54Å; Y615-L632 HydrophobicContact CE2-CD2 4.09Å; Y615-L632 HydrophobicContact CE2-CG 4.45Å; L632-V634 HydrophobicContact CD2-CG2 4.26Å; L632-V634 HydrophobicContact CG-CG2 4.13Å
633Y85.2Confident70Confident28 Ų2878.4 Ų78.411%0.1142%0.42CS..EExtended strand (participates in β ladder)trans-110.2113.9174.3-55.1-63.6000109.9H554 T555 S556 V557 T612 H631 K849 V850H554-Y633 HydrophobicContact CB-CE2 4.08Å; T555-Y633 PolarHBondContact O-N 2.78Å; S556-Y633 CarbonylContact C-O 3.59Å; S556-Y633 VanDerWaalsContact CA-O 3.24Å; S556-Y633 WeakPolarHBondContact CA-O 3.41Å; V557-Y633 PolarHBondContact N-O 3.21Å; T612-Y633 HydrophobicContact CG2-CD1 4.47Å; H631-Y633 HydrophobicContact CB-CE1 3.85Å; H631-Y633 HydrophobicContact CB-CE2 3.99Å; H631-Y633 WeakPolarHBondContact CB-OH 3.44Å; Y633-K849 WeakPolarHBondContact CD1-O 3.47Å; Y633-K849 VanDerWaalsContact CE1-C 3.44Å; Y633-K849 HydrophobicContact CE1-CB 4.2Å; Y633-K849 WeakPolarHBondContact CE1-O 3.49Å; Y633-K849 HydrophobicContact CE2-CB 4.32Å; Y633-K849 WeakPolarHBondContact OH-CB 3.48Å; Y633-V850 HydrophobicContact CE1-CG2 4.23Å
634V86.9Confident68.2Low15 Ų1583.8 Ų83.89%0.09145%0.452CS..EExtended strand (participates in β ladder)trans-97.1118.6175.7-175.20000109.8V557 Q559 V607 T608 D611 T612 L632V557-V634 CarbonylContact O-C 3.54Å; V557-V634 WeakPolarHBondContact O-CA 3.47Å; Q559-V634 HydrophobicContact CB-CG1 4.14Å; V607-V634 HydrophobicContact CB-CG1 4.3Å; V607-V634 HydrophobicContact CB-CG2 3.87Å; V607-V634 HydrophobicContact CG2-CB 4.49Å; V607-V634 HydrophobicContact CG2-CG1 3.75Å; V607-V634 HydrophobicContact CG2-CG2 3.91Å; T608-V634 WeakPolarHBondContact O-CB 3.48Å; T608-V634 WeakPolarHBondContact O-CG2 3.5Å; D611-V634 HydrophobicContact CB-CG2 4.33Å; T612-V634 WeakPolarHBondContact OG1-CB 3.24Å; T612-V634 PolarHBondContact OG1-N 3.44Å; L632-V634 HydrophobicContact CD2-CG2 4.26Å; L632-V634 HydrophobicContact CG-CG2 4.13Å
635V81.1Confident66.6Low68 Ų6891.6 Ų91.641%0.41249%0.486SS..EExtended strand (participates in β ladder)trans-108139.6-173.5-165.80000110.3V557 Y558 Q559V557-V635 PolarHBondContact O-N 3.02Å; Y558-V635 CarbonylContact C-O 3.6Å; Y558-V635 VanDerWaalsContact CA-O 3.25Å; Y558-V635 WeakPolarHBondContact CA-O 2.96Å; Y558-V635 HydrophobicContact CD1-CB 4.19Å; Y558-V635 HydrophobicContact CE1-CB 4.34Å; Y558-V635 HydrophobicContact CE1-CG1 4.4Å; Q559-V635 PolarHBondContact N-O 2.78Å
636D72.9Confident65Low99 Ų9993.9 Ų93.953%0.52950%0.5SS..PPolyproline II helixtrans-64.8140.9174.1-61.2-35000110.2T609T609-D636 WeakPolarHBondContact CG2-OD1 3.44Å
637K57.8Low63.3Low160 Ų16096 Ų9670%0.69651%0.514SS*.PPolyproline II helixtrans-65.3127.5173.6-172.4178.8-178.9179.70108.3
638P55.5Low61.1Low88 Ų88100.3 Ų100.357%0.57153%0.529SS*.PPolyproline II helixtrans-62.2137.5-177.721.8-30.6000111
639P49.4Very low58.8Low115 Ų115100.5 Ų100.575%0.74755%0.551SS**PPolyproline II helixtrans-70.3130.7171.427.3-30000109.5H641P639-H641 PolarHBondContact O-N 3.12Å
640H51.3Low56.9Low189 Ų189103.6 Ų103.688%0.87557%0.572SS**PPolyproline II helixtrans-63.1119.5168.1-97.9-74.8000109
641H40.5Very low54.7Low179 Ų179113.7 Ų113.783%0.82961%0.612SS**  trans-136.2121.3163.1-112.1-62.5000110.3P639P639-H641 PolarHBondContact O-N 3.12Å
642D43.9Very low52.5Low161 Ų161122.2 Ų122.286%0.86165%0.649SS**  trans-64.2143.2172.3-66.2-58.8000112.2
643G39.5Very low50.1Low71 Ų71129.6 Ų129.673%0.73269%0.685SS**  trans120.8105.314900000119
644V38.3Very low48.5Very low133 Ų133135.1 Ų135.181%0.80672%0.715SS**  trans78.9116.6138.8-166.10000120.9
645E41.1Very low46.4Very low182 Ų182143.2 Ų143.285%0.8575%0.752SS**  trans10.6143140.6-56.9175158.100118.4
646D37.1Very low44.9Very low147 Ų147144.6 Ų144.679%0.78676%0.76SS**  cis-166.3147.927.5-153.34.1000103.7
647D37.2Very low44.2Very low121 Ų121145.6 Ų145.665%0.64777%0.765SS**  170.515363.3-164.12.3000108.8
648K35.4Very low43.8Very low176 Ų176141.4 Ų141.477%0.76577%0.766SS**  trans82.480.8164.5-59.5-179.5-175.3169.90122.7
649A36.2Very low43.8Very low98 Ų98144.3 Ų144.381%0.8178%0.776SS**  53.1159.2122.100000122.9
650P45.7Very low44Very low121 Ų121142 Ų14279%0.78676%0.763SS**  cis-131.6148.5-4.532.6-12000116.2
651Y40.1Very low44.6Very low213 Ų213137.2 Ų137.284%0.83575%0.747SS**  trans-76.7127.8165.6-93.6-102.3000112.2
652K37.2Very low45.5Very low203 Ų203131 Ų13188%0.88373%0.731SS**  trans-163.590.4145.3-82.3-152.7179.7179.90110.9
653M39.4Very low46.3Very low155 Ų155126.3 Ų126.376%0.76472%0.715SS**  trans-179.264142.3-133.9176.4-73.200114
654I52Low47.3Very low144 Ų144125.3 Ų125.374%0.73870%0.7SS**  trans-128.558.6165.2-53.6177.1000110.1
655Q43.2Very low48.9Very low185 Ų185122.9 Ų122.986%0.86469%0.685SS**SBendtrans-138.912.1166.5-107.8-178.5-200114
656T49.3Very low50.2Low96 Ų96116.8 Ų116.859%0.58967%0.666SS**SBendtrans-112-10.3-176.5-32.20000113.8S660T656-S660 PolarHBondContact O-OG 2.85Å
657I57.2Low52Low121 Ų121117.9 Ų117.962%0.62166%0.66SS**Hα-helixtrans-89.6-22.2-175.7-58.6175000112.3S660 V661I657-S660 PolarHBondContact O-OG 3.43Å; I657-V661 WeakPolarHBondContact O-CG2 3.39Å
658G50.6Low53.9Low71 Ų71116.8 Ų116.873%0.73265%0.653SS**Hα-helixtrans-75.2-25.1-179.100000115.4
659L54.7Low55.9Low149 Ų149113.8 Ų113.878%0.7864%0.644SS**Hα-helixtrans-91.3-23.6-177.3-84.9157000113.4
660S55Low57.8Low68 Ų68113.2 Ų113.248%0.47663%0.631SS.*Hα-helixtrans-81.9-31.2179.745.80000113.1T656 I657 A664T656-S660 PolarHBondContact O-OG 2.85Å; I657-S660 PolarHBondContact O-OG 3.43Å; S660-A664 PolarHBondContact O-N 2.9Å
661V63.4Low59.2Low87 Ų87110.1 Ų110.153%0.52761%0.609SS.*Hα-helixtrans-69.4-36.7176.1179.70000111.3I657 V665I657-V661 WeakPolarHBondContact O-CG2 3.39Å; V661-V665 WeakPolarHBondContact O-CG2 3.32Å; V661-V665 PolarHBondContact O-N 3.47Å
662G58.2Low60.9Low48 Ų48104.9 Ų104.950%0.49560%0.596SS.*Hα-helixtrans-66.6-37.7175.900000113.9A666G662-A666 PolarHBondContact O-N 2.97Å
663A61.7Low62.8Low64 Ų6497.2 Ų97.253%0.52957%0.574SS.*Hα-helixtrans-71.6-37.5177.900000112.5A666 Y667A663-A666 PolarHBondContact O-N 3.2Å; A663-Y667 WeakPolarHBondContact O-CB 3.41Å; A663-Y667 PolarHBondContact O-N 2.87Å
664A60.3Low64.4Low50 Ų5094.6 Ų94.641%0.41356%0.562SS.*Hα-helixtrans-66.4-40177.100000112.2S660 Y667 I668S660-A664 PolarHBondContact O-N 2.9Å; A664-Y667 PolarHBondContact O-N 3.44Å; A664-I668 WeakPolarHBondContact O-CD1 3.4Å; A664-I668 VanDerWaalsContact O-CG1 3.26Å; A664-I668 WeakPolarHBondContact O-CG1 3.38Å; A664-I668 PolarHBondContact O-N 2.86Å
665V71.2Confident65.2Low81 Ų8193.6 Ų93.649%0.49156%0.556SS.*Hα-helixtrans-68.8-39.7177.3175.30000111.3V661 I668 I669V661-V665 WeakPolarHBondContact O-CG2 3.32Å; V661-V665 PolarHBondContact O-N 3.47Å; V665-I668 PolarHBondContact O-N 3.45Å; V665-I669 HydrophobicContact CG1-CD1 4.02Å; V665-I669 VanDerWaalsContact O-CG1 3.3Å; V665-I669 WeakPolarHBondContact O-CG1 3.48Å; V665-I669 PolarHBondContact O-N 3.26Å; V665-I669 VanDerWaalsContact O-N 3.14Å
666A69.6Low66.6Low55 Ų5591.8 Ų91.846%0.45555%0.546SS..Hα-helixtrans-64.5-39.6174.700000112.5G662 A663 I669 V670G662-A666 PolarHBondContact O-N 2.97Å; A663-A666 PolarHBondContact O-N 3.2Å; A666-I669 PolarHBondContact O-N 2.93Å; A666-V670 WeakPolarHBondContact O-CG2 3.39Å; A666-V670 PolarHBondContact O-N 2.86Å; A666-V670 VanDerWaalsContact O-N 3.14Å
667Y74.8Confident67.7Low169 Ų16994.3 Ų94.366%0.66355%0.546SS*.Hα-helixtrans-65.9-41.6177.4-171.2-101000112.3A663 A664 I669 V670 V671A663-Y667 WeakPolarHBondContact O-CB 3.41Å; A663-Y667 PolarHBondContact O-N 2.87Å; A664-Y667 PolarHBondContact O-N 3.44Å; Y667-I669 PolarHBondContact O-N 2.84Å; Y667-V670 PolarHBondContact O-N 2.89Å; Y667-V671 HydrophobicContact CD1-CG2 4.12Å; Y667-V671 HydrophobicContact CE1-CG2 3.84Å; Y667-V671 VanDerWaalsContact O-CG2 3.32Å; Y667-V671 WeakPolarHBondContact O-CG2 3.35Å; Y667-V671 PolarHBondContact O-N 3.27Å
668I76.4Confident68.1Low98 Ų9892.1 Ų92.150%0.50354%0.54SS..Hα-helixtrans-64.7-39.1177.4-69.1166.9000111.2A664 V665 V671 L672A664-I668 WeakPolarHBondContact O-CD1 3.4Å; A664-I668 VanDerWaalsContact O-CG1 3.26Å; A664-I668 WeakPolarHBondContact O-CG1 3.38Å; A664-I668 PolarHBondContact O-N 2.86Å; V665-I668 PolarHBondContact O-N 3.45Å; I668-V671 PolarHBondContact O-N 3.1Å; I668-L672 HydrophobicContact CG2-CD1 3.78Å; I668-L672 HydrophobicContact CG2-CG 4.32Å; I668-L672 WeakPolarHBondContact O-CB 3.43Å; I668-L672 VanDerWaalsContact O-CG 3.28Å; I668-L672 WeakPolarHBondContact O-CG 3.36Å; I668-L672 PolarHBondContact O-N 3.31Å
669I77.6Confident68.8Low113 Ų11395.9 Ų95.958%0.57954%0.536SS*.Hα-helixtrans-65.5-39.6176.9-67.5167.5000111.4V665 A666 Y667 G673V665-I669 HydrophobicContact CG1-CD1 4.02Å; V665-I669 VanDerWaalsContact O-CG1 3.3Å; V665-I669 WeakPolarHBondContact O-CG1 3.48Å; V665-I669 PolarHBondContact O-N 3.26Å; V665-I669 VanDerWaalsContact O-N 3.14Å; A666-I669 PolarHBondContact O-N 2.93Å; Y667-I669 PolarHBondContact O-N 2.84Å; I669-G673 PolarHBondContact O-N 3.18Å
670V75.8Confident68.9Low87 Ų8796.1 Ų96.153%0.52753%0.531SS..Hα-helixtrans-68-42.2176.9172.30000111.8A666 Y667 G673 L674A666-V670 WeakPolarHBondContact O-CG2 3.39Å; A666-V670 PolarHBondContact O-N 2.86Å; A666-V670 VanDerWaalsContact O-N 3.14Å; Y667-V670 PolarHBondContact O-N 2.89Å; V670-G673 PolarHBondContact O-N 2.78Å; V670-L674 HydrophobicContact CG1-CD1 4.03Å; V670-L674 WeakPolarHBondContact O-CB 3.33Å; V670-L674 WeakPolarHBondContact O-CG 3.33Å; V670-L674 PolarHBondContact O-N 2.81Å
671V76.1Confident69.1Low55 Ų5599.9 Ų99.933%0.33354%0.535SS..Hα-helixtrans-66.9-42.9178.3172.40000111.3Y667 I668 L674 M675Y667-V671 HydrophobicContact CD1-CG2 4.12Å; Y667-V671 HydrophobicContact CE1-CG2 3.84Å; Y667-V671 VanDerWaalsContact O-CG2 3.32Å; Y667-V671 WeakPolarHBondContact O-CG2 3.35Å; Y667-V671 PolarHBondContact O-N 3.27Å; I668-V671 PolarHBondContact O-N 3.1Å; V671-L674 PolarHBondContact O-N 2.78Å; V671-M675 HydrophobicContact CG1-SD 4.18Å; V671-M675 WeakPolarHBondContact O-CB 3.38Å; V671-M675 VanDerWaalsContact O-CG 3.3Å; V671-M675 WeakPolarHBondContact O-CG 3.27Å; V671-M675 PolarHBondContact O-N 2.84Å
672L75.6Confident68.8Low104 Ų104104.9 Ų104.955%0.54554%0.544SS..Hα-helixtrans-66.3-37.2175.5-69.8173.8000111.9I668 M675 F676I668-L672 HydrophobicContact CG2-CD1 3.78Å; I668-L672 HydrophobicContact CG2-CG 4.32Å; I668-L672 WeakPolarHBondContact O-CB 3.43Å; I668-L672 VanDerWaalsContact O-CG 3.28Å; I668-L672 WeakPolarHBondContact O-CG 3.36Å; I668-L672 PolarHBondContact O-N 3.31Å; L672-M675 PolarHBondContact O-N 3.45Å; L672-F676 WeakPolarHBondContact O-CB 3.29Å; L672-F676 PolarHBondContact O-N 3.31Å
673G77.4Confident68.4Low42 Ų42107.9 Ų107.943%0.43355%0.549SS..Hα-helixtrans-62.6-42.2172.200000113.4I669 V670 F676 Y677I669-G673 PolarHBondContact O-N 3.18Å; V670-G673 PolarHBondContact O-N 2.78Å; G673-F676 PolarHBondContact O-N 2.74Å; G673-Y677 WeakPolarHBondContact O-CB 3.35Å; G673-Y677 PolarHBondContact O-N 3.11Å
674L73.1Confident67.7Low99 Ų99110.1 Ų110.152%0.51856%0.556SS.*Hα-helixtrans-69.2-38175.4-78.9166.4000112.5V670 V671 Y677 C678V670-L674 HydrophobicContact CG1-CD1 4.03Å; V670-L674 WeakPolarHBondContact O-CB 3.33Å; V670-L674 WeakPolarHBondContact O-CG 3.33Å; V670-L674 PolarHBondContact O-N 2.81Å; V671-L674 PolarHBondContact O-N 2.78Å; L674-Y677 PolarHBondContact O-N 2.89Å; L674-C678 VanDerWaalsContact O-CB 3.3Å; L674-C678 WeakPolarHBondContact O-CB 3.48Å; L674-C678 PolarHBondContact O-N 2.94Å; L674-C678 PolarHBondContact O-SG 2.94Å
675M68.5Low67.1Low123 Ų123115.5 Ų115.561%0.60657%0.57SS**Hα-helixtrans-64.1-40.2173.8-74.9179.368.500111.7V671 L672 K679V671-M675 HydrophobicContact CG1-SD 4.18Å; V671-M675 WeakPolarHBondContact O-CB 3.38Å; V671-M675 VanDerWaalsContact O-CG 3.3Å; V671-M675 WeakPolarHBondContact O-CG 3.27Å; V671-M675 PolarHBondContact O-N 2.84Å; L672-M675 PolarHBondContact O-N 3.45Å; M675-K679 VanDerWaalsContact O-CB 3.28Å; M675-K679 WeakPolarHBondContact O-CB 3.48Å; M675-K679 PolarHBondContact O-N 3.3Å
676F72.9Confident65.8Low148 Ų148121.5 Ų121.565%0.64958%0.584SS**Hα-helixtrans-70.2-38.7176-149.4-91.4000112.1L672 G673 K679 K680L672-F676 WeakPolarHBondContact O-CB 3.29Å; L672-F676 PolarHBondContact O-N 3.31Å; G673-F676 PolarHBondContact O-N 2.74Å; F676-K679 PolarHBondContact O-N 3.33Å; F676-K680 WeakPolarHBondContact O-CB 2.93Å; F676-K680 PolarHBondContact O-N 3.18Å
677Y71.4Confident64.6Low149 Ų149126.4 Ų126.458%0.58460%0.602SS**Hα-helixtrans-63-44.1173.1-177.8-98.7000112.2G673 L674 K680 R681G673-Y677 WeakPolarHBondContact O-CB 3.35Å; G673-Y677 PolarHBondContact O-N 3.11Å; L674-Y677 PolarHBondContact O-N 2.89Å; Y677-K680 PolarHBondContact O-N 2.93Å; Y677-R681 WeakPolarHBondContact O-CB 3.39Å; Y677-R681 PolarHBondContact O-N 3.27Å
678C66.4Low63Low74 Ų74127 Ų12750%0.561%0.611SS.*Hα-helixtrans-66.7-36175.2-74.30000112.7L674 R682L674-C678 VanDerWaalsContact O-CB 3.3Å; L674-C678 WeakPolarHBondContact O-CB 3.48Å; L674-C678 PolarHBondContact O-N 2.94Å; L674-C678 PolarHBondContact O-SG 2.94Å; C678-R682 WeakPolarHBondContact O-CB 3.07Å; C678-R682 PolarHBondContact O-N 3.18Å
679K64.7Low61Low150 Ų150132.3 Ų132.365%0.65263%0.63SS**Hα-helixtrans-68-39.9174.5-165.9173.8-177.9176.70111.7M675 F676 R682 N683M675-K679 VanDerWaalsContact O-CB 3.28Å; M675-K679 WeakPolarHBondContact O-CB 3.48Å; M675-K679 PolarHBondContact O-N 3.3Å; F676-K679 PolarHBondContact O-N 3.33Å; K679-R682 PolarHBondContact O-N 3.32Å; K679-N683 PolarHBondContact O-N 3.24Å
680K56.7Low58.8Low154 Ų154130.3 Ų130.367%0.6764%0.637SS**Hα-helixtrans-70.5-34.9175.7-165.1169.3-178.1176.10112.9F676 Y677 T684F676-K680 WeakPolarHBondContact O-CB 2.93Å; F676-K680 PolarHBondContact O-N 3.18Å; Y677-K680 PolarHBondContact O-N 2.93Å; K680-T684 PolarHBondContact O-N 2.73Å; K680-T684 PolarHBondContact O-OG1 3.48Å
681R59.3Low56.6Low148 Ų148134.9 Ų134.956%0.55865%0.653SS**Hα-helixtrans-73.4-28174.6-166.7177-179-168.80.8113.4Y677 T684Y677-R681 WeakPolarHBondContact O-CB 3.39Å; Y677-R681 PolarHBondContact O-N 3.27Å; R681-T684 PolarHBondContact O-OG1 3.11Å
682R56.2Low54.4Low191 Ų191139.8 Ų139.872%0.72168%0.677SS**Hα-helixtrans-74.1-35.9172.1-105.4178.1167.7165.6-3.8112.5C678 K679 K685C678-R682 WeakPolarHBondContact O-CB 3.07Å; C678-R682 PolarHBondContact O-N 3.18Å; K679-R682 PolarHBondContact O-N 3.32Å; R682-K685 PolarHBondContact O-N 2.61Å
683N50.9Low52.3Low111 Ų111137.8 Ų137.859%0.59468%0.682SS**Hα-helixtrans-72.3-23.8177.2-85.84.9000114K679K679-N683 PolarHBondContact O-N 3.24Å
684T47.3Very low50Low112 Ų112144.4 Ų144.469%0.68770%0.702SS**THydrogen-bonded Turntrans-82-12.1174.116.60000113.8K680 R681K680-T684 PolarHBondContact O-N 2.73Å; K680-T684 PolarHBondContact O-OG1 3.48Å; R681-T684 PolarHBondContact O-OG1 3.11Å
685K47Very low47.8Very low163 Ų163147.2 Ų147.271%0.70971%0.712SS**SBendtrans-101.5-0.7177.9-77.8-168.1172.5-167.80114.7R682R682-K685 PolarHBondContact O-N 2.61Å
686R44.5Very low46.3Very low207 Ų207146.3 Ų146.378%0.78172%0.716SS**SBendtrans-98.88.7177.1-74.7-175.1173-173.3-3.9114.1
687L43.2Very low44Very low158 Ų158147.4 Ų147.483%0.82772%0.723SS**SBendtrans-114.519.3178.7-123.2102.5000115
688Q41.4Very low41.8Very low181 Ų181148 Ų14885%0.84673%0.733SS**SBendtrans-134.3117.4167.4-83.3-178.3-4.800110.6
689K35.2Very low39.8Very low210 Ų210152.1 Ų152.191%0.91375%0.745SS**  trans89.689.7176-67.5-173.6167.6-175.40118.2
690G31.8Very low37.9Very low71 Ų71150.3 Ų150.373%0.73275%0.749SS**  trans-63.4168.6131.300000109.9
691Q29.2Very low36.4Very low183 Ų183150.5 Ų150.586%0.85576%0.757SS**  cis-160.8157.741.7-96163.2-33.700104.7
692D30.6Very low34.8Very low157 Ų157150.7 Ų150.784%0.8477%0.769SS**  cis-143.5142.834-70.4-57.1000107.9
693G30.7Very low33.3Very low63 Ų63145.8 Ų145.865%0.64978%0.778SS**  104.585.169.500000108.7
694E29.4Very low32Very low180 Ų180144.4 Ų144.484%0.84179%0.79SS**  76.2137.699.7-74-177.9175.600112.2
695E26.9Very low31Very low158 Ų158143.6 Ų143.674%0.73879%0.794SS**  cis175.1-170.811.8-113.6-168.4172.600105.6
696P37.5Very low29.9Very low105 Ų105141.4 Ų141.468%0.68280%0.795SS**  cis-135.8-171.5-48.438.1-19000113.8
697E24.9Very low29Very low170 Ų170139.6 Ų139.679%0.79480%0.795SS**  trans-47.7162.7178.6-59.2168.5144.300118.7
698M23.3Very low28.1Very low163 Ų163139.9 Ų139.980%0.80379%0.792SS**  164.4165.895.7-148.5165.2-143.600114
699E24.7Very low27.4Very low160 Ų160138.1 Ų138.175%0.74879%0.789SS**  trans-73.7159.4-162.6-65.8172.9128.100119.7
700C26.5Very low27Very low111 Ų111132 Ų13275%0.7579%0.785SS**  trans58128.6136.9-68.50000123.8
701L24.3Very low26.7Very low158 Ų158136.5 Ų136.583%0.82779%0.787SS**  trans135133.5132.4-79.5159.7000117.3
702N25.7Very low26.5Very low153 Ų153133.8 Ų133.882%0.81878%0.783SS**  trans16.4130.1151.1-73-19.3000122.7
703G25.3Very low26.2Very low87 Ų87132.3 Ų132.390%0.89778%0.779SS**  84.8133.8120.600000119
704G22.8Very low25.9Very low83 Ų83133.1 Ų133.186%0.85678%0.78SS**  trans137.8124.5158.200000115.2
705A25.7Very low25.7Very low94 Ų94133.1 Ų133.178%0.77778%0.78SS**  trans-86178.4-17600000114.3
706V25Very low25.7Very low118 Ų118132.5 Ų132.572%0.71578%0.78SS**  trans117.5109.5142.6-173.30000117.7
707Q24.4Very low25Very low168 Ų168136.9 Ų136.979%0.78579%0.792SS**  trans46128.5138.4-60.4169.1-15.400122.9
708Q25.8Very low25.1Very low165 Ų165136.3 Ų136.377%0.77179%0.789SS**  175.6114.794.9-93.5-168.6-0.900109.2
709N26Very low25.3Very low144 Ų144135.9 Ų135.977%0.7779%0.785SS**  81.3115.2101.8-77-1.4000116.3
710G27Very low25.3Very low81 Ų81134.3 Ų134.384%0.83579%0.786SS**  trans-16384.3161.800000109.2
711H25.1Very low25.3Very low166 Ų166134.8 Ų134.877%0.76979%0.786SS**  trans-73.3145.2174.7-98.3-149.3000112.3
712T25.5Very low25.3Very low126 Ų126134.8 Ų134.877%0.77379%0.786SS**  -179.5103.8122.933.10000107.3
713T23.6Very low25.4Very low125 Ų125133.7 Ų133.777%0.76779%0.785SS**  61.1128.49656.70000113.5
714A25.6Very low25.4Very low81 Ų81137.1 Ų137.167%0.66978%0.782SS**  cis-162.9153.839.600000114.5
715E23.6Very low25.5Very low180 Ų180142.4 Ų142.484%0.84179%0.787SS**  trans60.8111.7143.6-65.6160.6-170.300119.6
716I27.8Very low25.5Very low144 Ų144141.5 Ų141.574%0.73879%0.787SS**  cis70.7114.448.3-54.4175000115.1
717Q21.7Very low25.5Very low197 Ų197143 Ų14392%0.92180%0.796SS**  -150.3123.4122.5-151.213220.800112.5
718E28Very low25.5Very low159 Ų159142 Ų14274%0.74380%0.802SS**  trans-82.8161.7-174.7-88.4171.215200115.4
719E28Very low25.4Very low154 Ų154137.9 Ų137.972%0.7280%0.796SS**  trans1.4152.5142.7-58.3-173.4155.600121.6
720V24.5Very low25.4Very low127 Ų127137 Ų13777%0.7780%0.796SS**  -145.9123.7119.8-1790000110.9L722V720-L722 HydrophobicContact CG1-CD1 3.96Å; V720-L722 HydrophobicContact CG1-CG 4.13Å
721T25.6Very low25.6Very low121 Ų121139.5 Ų139.574%0.74280%0.795SS**  trans-89.4141.3156.444.80000109.3
722L25.3Very low25.6Very low157 Ų157140.1 Ų140.182%0.82280%0.798SS**  trans-137.8133.4166.8-98.6156.1000111.4V720V720-L722 HydrophobicContact CG1-CD1 3.96Å; V720-L722 HydrophobicContact CG1-CG 4.13Å
723T27Very low26.1Very low130 Ų130144.2 Ų144.280%0.79881%0.806SS**  trans-58.2156.5-172.340.80000118.2
724N26.7Very low26.3Very low159 Ų159149 Ų14985%0.8581%0.809SS**  trans-48.4143.9166.8-78.7-21.7000116
725M24.8Very low26.6Very low195 Ų195154.6 Ų154.696%0.96182%0.821SS**  trans-153.3134.9133.2-112.8-167.3-89.500109.7
726G23.9Very low26.9Very low75 Ų75151.2 Ų151.277%0.77382%0.818SS**  trans-91.2160.3-169.900000115.3
727T24.8Very low27.2Very low148 Ų148151.8 Ų151.891%0.90882%0.817SS**  trans-144.3132.1155.436.30000109.9
728V26.1Very low28Very low149 Ų149146.4 Ų146.490%0.90381%0.806SS**  trans-72.6131.9179.1172.90000110.7
729A24Very low28.6Very low78 Ų78141.7 Ų141.765%0.64579%0.791SS**  trans-178.6127.6135.400000113.3
730T23.9Very low29.8Very low125 Ų125141.1 Ų141.177%0.76779%0.793SS**  trans67.998.5142.556.50000120.8
731T31.8Very low31.6Very low133 Ų133144.3 Ų144.382%0.81680%0.796SS**  trans17.4107.213046.40000118.6
732E24.8Very low34.3Very low179 Ų179140 Ų14084%0.83677%0.768SS**  trans-140.5121.5131.6-76.4-162.3158.300109.9
733K37.1Very low37.3Very low213 Ų213137.5 Ų137.593%0.92675%0.752SS**  trans-68123.6171.5-73.2173173.6175.50109.1
734R27.6Very low40.3Very low224 Ų224132 Ų13285%0.84572%0.717SS**  trans-136.3127.5156.4-82.5-173.4175.6178-1.2110.2S736R734-S736 PolarHBondContact O-N 2.9Å
735H32.5Very low43.1Very low200 Ų200126.9 Ų126.993%0.92669%0.693SS**  trans-57109.7178.7-70.2-62.7000111.6
736S28.5Very low46Very low109 Ų109120.6 Ų120.676%0.76266%0.658SS**  trans-101.3107.2169.756.20000110.6R734R734-S736 PolarHBondContact O-N 2.9Å
737H35.7Very low48.8Very low155 Ų155121.7 Ų121.772%0.71866%0.66SS**  trans22.4118.1151-62-77.6000120S739H737-S739 PolarHBondContact O-N 3.28Å
738A38.2Very low51.8Low84 Ų84118 Ų11869%0.69464%0.635SS**G310 helixtrans-67.5-6168.700000114.8
739S41Very low54.7Low61 Ų61112 Ų11243%0.42760%0.597SS.*G310 helixtrans-77.2-24.9-172.358.50000115H737 K741H737-S739 PolarHBondContact O-N 3.28Å; S739-K741 VanDerWaalsContact C-N 3.3Å; S739-K741 PolarHBondContact O-N 2.94Å
740D52.3Low57.4Low142 Ų142114 Ų11476%0.75959%0.594SS**G310 helixtrans-76.2-18.3179.3-81.7-9.9000113
741K62.5Low60Low193 Ų193111.4 Ų111.484%0.83958%0.578SS**G310 helixtrans-78.1-18.4179.8-76.2-170.2175.5-172.70114.6S739S739-K741 VanDerWaalsContact C-N 3.3Å; S739-K741 PolarHBondContact O-N 2.94Å
742L82.7Confident61.6Low31 Ų31109 Ų10916%0.16256%0.559CS.*G310 helixtrans-100.40.4-174.8-77.5166.3000113.3F744 A804 L814 G816 L817L742-F744 PolarHBondContact O-N 3.11Å; L742-A804 HydrophobicContact CD1-CB 3.28Å; L742-L814 HydrophobicContact CD1-CD2 4.01Å; L742-L814 HydrophobicContact CD2-CD2 4.41Å; L742-L814 HydrophobicContact CD2-CG 4.38Å; L742-G816 CarbonylContact O-C 3.53Å; L742-G816 VanDerWaalsContact O-CA 3.27Å; L742-G816 WeakPolarHBondContact O-CA 3.36Å; L742-L817 PolarHBondContact O-N 3.31Å
743H87.9Confident63.1Low105 Ų105102.8 Ų102.849%0.48653%0.533SS..BIsolated β-bridgetrans-65125175.2176.355.5000110.5E820H743-E820 IonicContact CE1-OE1 2.66Å; H743-E820 PolarHBondContact CE1-OE1 2.04Å; H743-E820 VanDerWaalsContact CE1-OE1 3.28Å; H743-E820 IonicContact NE2-OE1 3.43Å
744F89.6Confident64.8Low13 Ų1395.9 Ų95.96%0.05751%0.509CS..  trans-120.7125.5175.8-170.3-96.6000110.8L742 R746 N748 L749 A768 K769 I771 L817 C818 I827L742-F744 PolarHBondContact O-N 3.11Å; F744-R746 PolarHBondContact O-N 2.97Å; F744-N748 HydrophobicContact CE1-CB 3.83Å; F744-N748 HydrophobicContact CZ-CB 3.68Å; F744-L749 HydrophobicContact CE1-CB 4.2Å; F744-L749 HydrophobicContact CE1-CD1 4.45Å; F744-A768 HydrophobicContact CE1-CB 4.17Å; F744-A768 HydrophobicContact CZ-CB 3.84Å; F744-K769 WeakPolarHBondContact CZ-O 3.39Å; F744-I771 HydrophobicContact CD2-CB 4.18Å; F744-I771 HydrophobicContact CD2-CD1 3.97Å; F744-I771 HydrophobicContact CD2-CG1 3.84Å; F744-I771 HydrophobicContact CE2-CB 3.54Å; F744-I771 HydrophobicContact CE2-CD1 4Å; F744-I771 HydrophobicContact CE2-CG1 3.73Å; F744-I771 HydrophobicContact CG-CD1 4.37Å; F744-I771 HydrophobicContact CZ-CB 4.11Å; F744-I771 HydrophobicContact CZ-CD1 4.4Å; F744-I771 HydrophobicContact CZ-CG1 4.49Å; F744-L817 PolarHBondContact N-O 2.91Å; F744-C818 PolarHBondContact O-SG 3.3Å; F744-I827 HydrophobicContact CB-CD1 3.72Å; F744-I827 HydrophobicContact CD1-CD1 3.29Å; F744-I827 HydrophobicContact CE1-CD1 4.03Å; F744-I827 HydrophobicContact CG-CD1 3.58Å
745P86.4Confident66.4Low52 Ų5288.6 Ų88.634%0.33849%0.486SS..  trans-61.4121.3179-25.535.3000112.8A747 N748 E820P745-A747 PolarHBondContact O-N 3.17Å; P745-A747 VanDerWaalsContact O-N 3.15Å; P745-N748 WeakPolarHBondContact O-CB 3.39Å; P745-N748 PolarHBondContact O-N 3.29Å; P745-E820 WeakPolarHBondContact CA-OE1 3.42Å
746R85.2Confident68Low63 Ų6379.6 Ų79.624%0.23845%0.448CS..G310 helixtrans-53.4-37.3177179.5177.9-63.6-138.3-10.4113.6F744 N748 L749 C818 E820 A821 E822 P823 Y825F744-R746 PolarHBondContact O-N 2.97Å; R746-N748 PolarHBondContact O-N 2.86Å; R746-N748 VanDerWaalsContact O-N 3.14Å; R746-L749 WeakPolarHBondContact O-CB 3.4Å; R746-L749 PolarHBondContact O-N 3.22Å; R746-C818 HydrophobicContact CB-CB 4.46Å; R746-E820 PolarHBondContact N-OE1 2.8Å; R746-A821 PolarHBondContact NH2-O 2.86Å; R746-E822 PolarHBondContact NH1-O 2.86Å; R746-P823 PolarHBondContact NH2-O 3.33Å; R746-Y825 HydrophobicContact CG-CE2 4.46Å
747A82.6Confident69.9Low98 Ų9879.9 Ų79.981%0.8144%0.435SS*.G310 helixtrans-62.2-20.1-179.200000113.5P745 L749P745-A747 PolarHBondContact O-N 3.17Å; P745-A747 VanDerWaalsContact O-N 3.15Å; A747-L749 VanDerWaalsContact C-N 3.3Å
748N87Confident71.5Confident70 Ų7073.1 Ų73.137%0.37441%0.407SS..G310 helixtrans-90.76.6177.7-67.1-7.2000112.8F744 P745 R746 K769F744-N748 HydrophobicContact CE1-CB 3.83Å; F744-N748 HydrophobicContact CZ-CB 3.68Å; P745-N748 WeakPolarHBondContact O-CB 3.39Å; P745-N748 PolarHBondContact O-N 3.29Å; R746-N748 PolarHBondContact O-N 2.86Å; R746-N748 VanDerWaalsContact O-N 3.14Å; N748-K769 HydrophobicContact CB-CB 4.32Å; N748-K769 PolarHBondContact O-N 2.99Å
749L86.9Confident73Confident23 Ų2372.7 Ų72.712%0.1239%0.391CS..EExtended strand (participates in β ladder)trans-110.3121.7178.6-167.370.2000109.8F744 R746 A747 A768 V780 V782 Y825 I827F744-L749 HydrophobicContact CE1-CB 4.2Å; F744-L749 HydrophobicContact CE1-CD1 4.45Å; R746-L749 WeakPolarHBondContact O-CB 3.4Å; R746-L749 PolarHBondContact O-N 3.22Å; A747-L749 VanDerWaalsContact C-N 3.3Å; L749-A768 HydrophobicContact CD1-CB 3.9Å; L749-V780 HydrophobicContact CD1-CG2 3.92Å; L749-V782 HydrophobicContact CD1-CG2 3.92Å; L749-V782 HydrophobicContact CD2-CG1 4.11Å; L749-V782 HydrophobicContact CD2-CG2 3.88Å; L749-V782 HydrophobicContact CG-CG2 4.37Å; L749-Y825 HydrophobicContact CD2-CD2 3.92Å; L749-Y825 HydrophobicContact CD2-CE2 4.34Å; L749-I827 HydrophobicContact CD1-CD1 4.34Å
750Q80.6Confident74.6Confident121 Ų12170.3 Ų70.357%0.56537%0.373SS*.EExtended strand (participates in β ladder)trans-113.6113.2175.9-175-17818.600109.8I752 S766 K767Q750-I752 PolarHBondContact O-N 3.34Å; Q750-S766 CarbonylContact O-C 3.53Å; Q750-S766 VanDerWaalsContact O-CA 3.22Å; Q750-S766 WeakPolarHBondContact O-CA 3.43Å; Q750-S766 WeakPolarHBondContact O-CB 3.37Å; Q750-K767 HydrophobicContact CB-CB 4.48Å; Q750-K767 PolarHBondContact N-O 2.76Å; Q750-K767 PolarHBondContact O-N 3.5Å
751T79.3Confident75.6Confident71 Ų7163.7 Ų63.744%0.43634%0.339SS..EExtended strand (participates in β ladder)trans-66.1129.4175.2-560000110.8L764T751-L764 HydrophobicContact CG2-CB 4.18Å; T751-L764 HydrophobicContact CG2-CD1 4.34Å; T751-L764 HydrophobicContact CG2-CD2 4.39Å
752I64.9Low76.3Confident83 Ų8357.4 Ų57.443%0.42631%0.312SS..EExtended strand (participates in β ladder)trans-89.2-53.6172.5-55.7178.6000109.3Q750 L765 K767 V779Q750-I752 PolarHBondContact O-N 3.34Å; I752-L765 WeakPolarHBondContact CA-O 3.41Å; I752-L765 HydrophobicContact CB-CG 4.43Å; I752-L765 WeakPolarHBondContact CB-O 3.49Å; I752-L765 HydrophobicContact CD1-CD2 4.36Å; I752-L765 HydrophobicContact CD1-CG 4.17Å; I752-L765 HydrophobicContact CG2-CD2 4.49Å; I752-L765 PolarHBondContact N-O 2.78Å; I752-K767 HydrophobicContact CD1-CG 3.64Å; I752-K767 HydrophobicContact CG1-CG 3.93Å; I752-V779 HydrophobicContact CD1-CG1 4.47Å
753T57.4Low76.1Confident47 Ų4756 Ų5629%0.28831%0.305SS..EExtended strand (participates in β ladder)trans-161.7164.5-178.7-170.60000111.8L755 L764 L765T753-L755 HydrophobicContact CG2-CD2 4.14Å; T753-L764 CarbonylContact O-C 3.55Å; T753-L764 WeakPolarHBondContact O-CA 3.28Å; T753-L765 HydrophobicContact CG2-CB 3.91Å; T753-L765 HydrophobicContact CG2-CD2 4.26Å; T753-L765 PolarHBondContact N-O 3.35Å; T753-L765 PolarHBondContact O-N 2.78Å
754T71.1Confident75.6Confident68 Ų6851.4 Ų51.442%0.41728%0.284SS..EExtended strand (participates in β ladder)trans-93124.4170.8-57.60000109.7E762 L764T754-E762 HydrophobicContact CG2-CB 4.32Å; T754-E762 HydrophobicContact CG2-CG 4.39Å; T754-L764 HydrophobicContact CG2-CD2 4.05Å; T754-L764 VanDerWaalsContact OG1-CD2 3.3Å; T754-L764 WeakPolarHBondContact OG1-CD2 3.04Å
755L61.8Low75Confident71 Ų7151.8 Ų51.837%0.37229%0.286SS..EExtended strand (participates in β ladder)trans-88.8-20.8-178.5-62.3178.4000113.3T753 V763 L765 L781T753-L755 HydrophobicContact CG2-CD2 4.14Å; L755-V763 PolarHBondContact N-O 3.19Å; L755-L765 HydrophobicContact CD1-CB 4.09Å; L755-L765 HydrophobicContact CD2-CB 4.1Å; L755-L765 HydrophobicContact CG-CB 4.04Å; L755-L781 HydrophobicContact CD1-CD1 3.75Å; L755-L781 HydrophobicContact CD1-CG 4.45Å
756G65.4Low74.8Confident11 Ų1149.3 Ų49.311%0.11327%0.27CS..EExtended strand (participates in β ladder)trans156.3-166.6-178.900000111.8V763G756-V763 PolarHBondContact O-N 2.87Å
757K68.8Low74.6Confident116 Ų11650.2 Ų50.250%0.50428%0.276SS..EExtended strand (participates in β ladder)trans-122.3118.3178.4-162.7175.3-178.2176.10110.7S905 K906 D907K757-S905 CarbonylContact O-C 3.59Å; K757-K906 PolarHBondContact O-N 3.2Å; K757-D907 HydrophobicContact CB-CB 4.39Å; K757-D907 WeakPolarHBondContact CB-OD2 3.34Å; K757-D907 PolarHBondContact N-OD1 3.31Å; K757-D907 PolarHBondContact N-OD2 3.02Å; K757-D907 PolarHBondContact O-N 3.43Å; K757-D907 VanDerWaalsContact O-OD1 3.11Å
758G69.5Low74.8Confident12 Ų1245.6 Ų45.612%0.12424%0.237CC..  trans-87.2-169.2173.500000112.2F760 G761 S903G758-F760 VanDerWaalsContact C-N 3.28Å; G758-F760 PolarHBondContact O-N 3.44Å; G758-G761 PolarHBondContact N-O 3.34Å; G758-S903 WeakPolarHBondContact CA-O 3.01Å
759E69.3Low74.8Confident75 Ų7547.7 Ų47.735%0.3524%0.243SC..SBendtrans-60.1-34178.9-179169.5162.600113.9L792 K906E759-L792 HydrophobicContact CG-CD2 3.61Å; E759-K906 HydrophobicContact CB-CD 4.14Å; E759-K906 IonicContact OE2-NZ 2.65Å; E759-K906 PolarHBondContact OE2-NZ 2.87Å
760F75.1Confident74.5Confident11 Ų1149.2 Ų49.25%0.04827%0.265CS..SBendtrans-99-21.6-172.2-54.9-65000114.4G758 S784 L785 Q786 L792 N795 F796 E799 L902G758-F760 VanDerWaalsContact C-N 3.28Å; G758-F760 PolarHBondContact O-N 3.44Å; F760-S784 CarbonylContact C-O 3.59Å; F760-S784 VanDerWaalsContact C-O 3.26Å; F760-L785 HydrophobicContact CB-CD1 4.01Å; F760-L785 HydrophobicContact CD1-CD1 4.3Å; F760-Q786 PolarHBondContact O-N 3.37Å; F760-L792 HydrophobicContact CD1-CB 4.27Å; F760-L792 HydrophobicContact CD1-CD2 4.09Å; F760-L792 VanDerWaalsContact CD1-O 3.28Å; F760-L792 WeakPolarHBondContact CD1-O 3.41Å; F760-L792 HydrophobicContact CE1-CD2 4.08Å; F760-L792 WeakPolarHBondContact CE1-O 3.18Å; F760-N795 HydrophobicContact CE1-CB 3.68Å; F760-N795 HydrophobicContact CZ-CB 3.98Å; F760-F796 HydrophobicContact CB-CD2 3.75Å; F760-F796 HydrophobicContact CB-CE2 4.34Å; F760-F796 HydrophobicContact CD1-CB 3.81Å; F760-F796 HydrophobicContact CD1-CD2 4.21Å; F760-F796 AromaticContact CD2-CD2 3.68Å; F760-F796 HydrophobicContact CD2-CD2 3.68Å; F760-F796 HydrophobicContact CD2-CE2 4.48Å; F760-F796 HydrophobicContact CE1-CB 4Å; F760-F796 HydrophobicContact CE2-CD2 4.34Å; F760-F796 HydrophobicContact CG-CB 4.08Å; F760-F796 AromaticContact CG-CD2 3.59Å; F760-F796 HydrophobicContact CG-CD2 3.59Å; F760-F796 HydrophobicContact CG-CG 4.31Å; F760-F796 HydrophobicContact CZ-CB 4.42Å; F760-E799 WeakPolarHBondContact CE2-OE2 3.46Å; F760-E799 WeakPolarHBondContact CZ-OE2 3.43Å; F760-L902 HydrophobicContact CD2-CD2 3.97Å; F760-L902 HydrophobicContact CE2-CD2 3.58Å
761G73.3Confident74.7Confident4 Ų444.7 Ų44.74%0.04124%0.244CC..SBendtrans158.9-165-170.400000112.1G758 S784G758-G761 PolarHBondContact N-O 3.34Å; G761-S784 VanDerWaalsContact CA-O 3.3Å; G761-S784 WeakPolarHBondContact CA-O 3.48Å; G761-S784 PolarHBondContact N-O 3.01Å
762E77.5Confident74.6Confident61 Ų6143.9 Ų43.929%0.28524%0.235SC..EExtended strand (participates in β ladder)trans-62.2146.3176.1-66.2174.1147.600112.2T754 L764 S784 Q786T754-E762 HydrophobicContact CG2-CB 4.32Å; T754-E762 HydrophobicContact CG2-CG 4.39Å; E762-L764 HydrophobicContact CB-CD2 3.96Å; E762-S784 WeakPolarHBondContact CA-OG 3.49Å; E762-S784 PolarHBondContact N-OG 3.12Å; E762-S784 WeakPolarHBondContact O-CB 3.47Å; E762-S784 PolarHBondContact O-N 3.11Å; E762-S784 PolarHBondContact O-OG 3.5Å; E762-Q786 VanDerWaalsContact CD-NE2 3.32Å; E762-Q786 PolarHBondContact OE2-NE2 3.05Å
763V78.7Confident74.8Confident2 Ų250.2 Ų50.21%0.01226%0.263CS..EExtended strand (participates in β ladder)trans-112.5122.1170.8-1770000108.2L755 G756 L781 V782 K783 L904L755-V763 PolarHBondContact N-O 3.19Å; G756-V763 PolarHBondContact O-N 2.87Å; V763-L781 HydrophobicContact CG1-CD1 4.18Å; V763-L781 HydrophobicContact CG1-CD2 3.6Å; V763-L781 HydrophobicContact CG1-CG 3.91Å; V763-V782 CarbonylContact C-O 3.53Å; V763-V782 WeakPolarHBondContact CA-O 2.92Å; V763-K783 HydrophobicContact CG1-CG 4.21Å; V763-K783 HydrophobicContact CG2-CG 3.87Å; V763-L904 VanDerWaalsContact CB-O 3.27Å; V763-L904 WeakPolarHBondContact CB-O 3.38Å; V763-L904 HydrophobicContact CG1-CD2 4.36Å; V763-L904 WeakPolarHBondContact CG2-O 3.48Å
764L76.9Confident75Confident7 Ų753 Ų534%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-116.9142.3-169.8-44.2169.5000110T751 T753 T754 E762 L781 V782 Y825T751-L764 HydrophobicContact CG2-CB 4.18Å; T751-L764 HydrophobicContact CG2-CD1 4.34Å; T751-L764 HydrophobicContact CG2-CD2 4.39Å; T753-L764 CarbonylContact O-C 3.55Å; T753-L764 WeakPolarHBondContact O-CA 3.28Å; T754-L764 HydrophobicContact CG2-CD2 4.05Å; T754-L764 VanDerWaalsContact OG1-CD2 3.3Å; T754-L764 WeakPolarHBondContact OG1-CD2 3.04Å; E762-L764 HydrophobicContact CB-CD2 3.96Å; L764-L781 CarbonylContact O-C 3.58Å; L764-L781 WeakPolarHBondContact O-CA 3.24Å; L764-V782 HydrophobicContact CB-CB 4.18Å; L764-V782 HydrophobicContact CD1-CG1 4.48Å; L764-V782 PolarHBondContact N-O 3.39Å; L764-V782 PolarHBondContact O-N 3.21Å; L764-Y825 HydrophobicContact CD1-CE1 4.42Å
765L77.5Confident74.8Confident22 Ų2254.3 Ų54.312%0.11529%0.286CS..EExtended strand (participates in β ladder)trans-88.8127.4161.2-172.366.3000107.9I752 T753 L755 V779 Y830I752-L765 WeakPolarHBondContact CA-O 3.41Å; I752-L765 HydrophobicContact CB-CG 4.43Å; I752-L765 WeakPolarHBondContact CB-O 3.49Å; I752-L765 HydrophobicContact CD1-CD2 4.36Å; I752-L765 HydrophobicContact CD1-CG 4.17Å; I752-L765 HydrophobicContact CG2-CD2 4.49Å; I752-L765 PolarHBondContact N-O 2.78Å; T753-L765 HydrophobicContact CG2-CB 3.91Å; T753-L765 HydrophobicContact CG2-CD2 4.26Å; T753-L765 PolarHBondContact N-O 3.35Å; T753-L765 PolarHBondContact O-N 2.78Å; L755-L765 HydrophobicContact CD1-CB 4.09Å; L755-L765 HydrophobicContact CD2-CB 4.1Å; L755-L765 HydrophobicContact CG-CB 4.04Å; L765-V779 HydrophobicContact CD1-CG1 3.65Å; L765-V779 HydrophobicContact CG-CG1 4.23Å; L765-Y830 HydrophobicContact CD1-CD1 4.31Å; L765-Y830 HydrophobicContact CD1-CD2 3.4Å; L765-Y830 HydrophobicContact CD1-CE1 4.32Å; L765-Y830 HydrophobicContact CD1-CE2 3.44Å; L765-Y830 VanDerWaalsContact CD1-CE2 3.44Å; L765-Y830 HydrophobicContact CD1-CG 3.87Å
766S81.9Confident75.4Confident0 Ų056.7 Ų56.70%030%0.303CS..EExtended strand (participates in β ladder)trans-138.5159.6-175-58.20000111.8Q750 V780 V782Q750-S766 CarbonylContact O-C 3.53Å; Q750-S766 VanDerWaalsContact O-CA 3.22Å; Q750-S766 WeakPolarHBondContact O-CA 3.43Å; Q750-S766 WeakPolarHBondContact O-CB 3.37Å; S766-V780 PolarHBondContact N-O 3.13Å; S766-V780 WeakPolarHBondContact O-CG2 3.33Å; S766-V780 PolarHBondContact O-N 3.47Å; S766-V782 WeakPolarHBondContact OG-CG2 3.43Å
767K80.3Confident76Confident82 Ų8260.5 Ų60.536%0.35732%0.318SS..EExtended strand (participates in β ladder)trans-97.4132.1162.6-61.7-172.1176.3-176.20109Q750 I752 A778Q750-K767 HydrophobicContact CB-CB 4.48Å; Q750-K767 PolarHBondContact N-O 2.76Å; Q750-K767 PolarHBondContact O-N 3.5Å; I752-K767 HydrophobicContact CD1-CG 3.64Å; I752-K767 HydrophobicContact CG1-CG 3.93Å; K767-A778 CarbonylContact C-O 3.47Å; K767-A778 WeakPolarHBondContact CA-O 3.34Å
768A87.3Confident76.6Confident0 Ų055.3 Ų55.30%030%0.297CS..EExtended strand (participates in β ladder)trans-117119.6176.800000109.8F744 L749 I771 A778 V780F744-A768 HydrophobicContact CE1-CB 4.17Å; F744-A768 HydrophobicContact CZ-CB 3.84Å; L749-A768 HydrophobicContact CD1-CB 3.9Å; A768-I771 HydrophobicContact CB-CB 3.87Å; A768-I771 HydrophobicContact CB-CD1 3.9Å; A768-I771 HydrophobicContact CB-CG2 3.65Å; A768-A778 PolarHBondContact N-O 2.88Å; A768-A778 PolarHBondContact O-N 2.82Å; A768-V780 HydrophobicContact CB-CB 4.49Å; A768-V780 HydrophobicContact CB-CG1 3.89Å; A768-V780 HydrophobicContact CB-CG2 3.74Å
769K86.8Confident77.1Confident114 Ų11457.9 Ų57.950%0.49631%0.31SS..EExtended strand (participates in β ladder)trans-83.9125.1-178.7-171.6178.1-178.9176.90110.8F744 N748 I771 V776 E777F744-K769 WeakPolarHBondContact CZ-O 3.39Å; N748-K769 HydrophobicContact CB-CB 4.32Å; N748-K769 PolarHBondContact O-N 2.99Å; K769-I771 VanDerWaalsContact C-N 3.3Å; K769-I771 PolarHBondContact O-N 2.81Å; K769-V776 WeakPolarHBondContact CG-O 3.38Å; K769-E777 HydrophobicContact CB-CG 4.32Å; K769-E777 HydrophobicContact CG-CG 4.29Å
770G81.1Confident78Confident56 Ų5654.3 Ų54.358%0.57729%0.293SS*.THydrogen-bonded Turntrans66.624.5177.300000115.2V776G770-V776 PolarHBondContact N-O 3.44Å; G770-V776 VanDerWaalsContact N-O 3.11Å
771I84.4Confident78.5Confident25 Ų2554.4 Ų54.413%0.12829%0.294CS..SBendtrans-80.5-21.5177.5-161.6165.8000113.1F744 A768 K769 A778 V780 L815 I827F744-I771 HydrophobicContact CD2-CB 4.18Å; F744-I771 HydrophobicContact CD2-CD1 3.97Å; F744-I771 HydrophobicContact CD2-CG1 3.84Å; F744-I771 HydrophobicContact CE2-CB 3.54Å; F744-I771 HydrophobicContact CE2-CD1 4Å; F744-I771 HydrophobicContact CE2-CG1 3.73Å; F744-I771 HydrophobicContact CG-CD1 4.37Å; F744-I771 HydrophobicContact CZ-CB 4.11Å; F744-I771 HydrophobicContact CZ-CD1 4.4Å; F744-I771 HydrophobicContact CZ-CG1 4.49Å; A768-I771 HydrophobicContact CB-CB 3.87Å; A768-I771 HydrophobicContact CB-CD1 3.9Å; A768-I771 HydrophobicContact CB-CG2 3.65Å; K769-I771 VanDerWaalsContact C-N 3.3Å; K769-I771 PolarHBondContact O-N 2.81Å; I771-A778 HydrophobicContact CG2-CB 3.77Å; I771-V780 HydrophobicContact CD1-CG1 4.41Å; I771-V780 HydrophobicContact CG2-CG1 4.24Å; I771-L815 HydrophobicContact CD1-CB 3.5Å; I771-L815 VanDerWaalsContact CD1-CB 3.5Å; I771-L815 HydrophobicContact CD1-CD1 4.17Å; I771-L815 HydrophobicContact CD1-CG 4.49Å; I771-L815 HydrophobicContact CG1-CB 3.94Å; I771-I827 HydrophobicContact CD1-CB 4.15Å; I771-I827 HydrophobicContact CD1-CD1 4.03Å; I771-I827 HydrophobicContact CD1-CG2 3.51Å
772E77.5Confident79.2Confident54 Ų5454.2 Ų54.225%0.25229%0.292SS..SBendtrans-124.9136.7172.4-67.4-167.6158.100109.2S774 E775 R813E772-S774 PolarHBondContact O-N 2.83Å; E772-S774 VanDerWaalsContact O-N 3.16Å; E772-E775 PolarHBondContact O-N 3.23Å; E772-E775 VanDerWaalsContact O-O 3.06Å; E772-R813 IonicContact OE1-CZ 3.98Å; E772-R813 IonicContact OE1-NH2 2.72Å; E772-R813 PolarHBondContact OE1-NH2 3.27Å
773E68.8Low79.7Confident217 Ų21751.6 Ų51.6100%1.01428%0.28SS*.THydrogen-bonded Turntrans-63.5-22.2-175.7-66.1179.6174.700113.3
774S62.4Low80Confident104 Ų10451.5 Ų51.573%0.72728%0.279SS*.THydrogen-bonded Turntrans-88-14.5-178.348.10000114.7E772E772-S774 PolarHBondContact O-N 2.83Å; E772-S774 VanDerWaalsContact O-N 3.16Å
775E67.2Low80.3Confident97 Ų9751.5 Ų51.545%0.45328%0.279SS..  trans-130.4136.4-171.4-62.5-169171.100111.7E772 E777E772-E775 PolarHBondContact O-N 3.23Å; E772-E775 VanDerWaalsContact O-O 3.06Å; E775-E777 VanDerWaalsContact C-N 3.33Å
776V72.9Confident79.9Confident121 Ų12154.5 Ų54.573%0.73329%0.293SS*.SBendtrans-67.2-39.2176.5-178.90000110.6K769 G770K769-V776 WeakPolarHBondContact CG-O 3.38Å; G770-V776 PolarHBondContact N-O 3.44Å; G770-V776 VanDerWaalsContact N-O 3.11Å
777E78.8Confident79.2Confident91 Ų9156 Ų5643%0.42530%0.304SS..EExtended strand (participates in β ladder)trans-142.1131.4174.6-71.3-174.816700109.5K769 E775K769-E777 HydrophobicContact CB-CG 4.32Å; K769-E777 HydrophobicContact CG-CG 4.29Å; E775-E777 VanDerWaalsContact C-N 3.33Å
778A82Confident78.2Confident7 Ų756.2 Ų56.26%0.05830%0.302CS..EExtended strand (participates in β ladder)trans-114.5145.5175.400000110.8K767 A768 I771 V780K767-A778 CarbonylContact C-O 3.47Å; K767-A778 WeakPolarHBondContact CA-O 3.34Å; A768-A778 PolarHBondContact N-O 2.88Å; A768-A778 PolarHBondContact O-N 2.82Å; I771-A778 HydrophobicContact CG2-CB 3.77Å; A778-V780 HydrophobicContact CB-CG1 4.45Å
779V79.8Confident77.3Confident66 Ų6660 Ų6040%0.432%0.322SS..EExtended strand (participates in β ladder)trans-82.2129.4171.4-177.80000108.9I752 L765 Y830I752-V779 HydrophobicContact CD1-CG1 4.47Å; L765-V779 HydrophobicContact CD1-CG1 3.65Å; L765-V779 HydrophobicContact CG-CG1 4.23Å; V779-Y830 HydrophobicContact CB-CD1 4.22Å; V779-Y830 HydrophobicContact CG1-CD1 3.61Å; V779-Y830 HydrophobicContact CG1-CE1 4.13Å; V779-Y830 HydrophobicContact CG1-CG 3.96Å; V779-Y830 WeakPolarHBondContact O-CB 3.08Å
780V87.8Confident76Confident0 Ų058.2 Ų58.20%032%0.316CS..EExtended strand (participates in β ladder)trans-136.2158.2-171.8-59.20000111.6L749 S766 A768 I771 A778 V782 L815 I827L749-V780 HydrophobicContact CD1-CG2 3.92Å; S766-V780 PolarHBondContact N-O 3.13Å; S766-V780 WeakPolarHBondContact O-CG2 3.33Å; S766-V780 PolarHBondContact O-N 3.47Å; A768-V780 HydrophobicContact CB-CB 4.49Å; A768-V780 HydrophobicContact CB-CG1 3.89Å; A768-V780 HydrophobicContact CB-CG2 3.74Å; I771-V780 HydrophobicContact CD1-CG1 4.41Å; I771-V780 HydrophobicContact CG2-CG1 4.24Å; A778-V780 HydrophobicContact CB-CG1 4.45Å; V780-V782 HydrophobicContact CG2-CG2 4.01Å; V780-L815 HydrophobicContact CB-CD1 4.31Å; V780-L815 HydrophobicContact CG1-CD1 3.52Å; V780-I827 HydrophobicContact CB-CG2 3.65Å; V780-I827 HydrophobicContact CG1-CG2 4.01Å; V780-I827 HydrophobicContact CG2-CG2 3.61Å
781L86.1Confident75.2Confident12 Ų1261 Ų616%0.06331%0.314CS..EExtended strand (participates in β ladder)trans-104.6129.4173.4-169.1139.2000109.6L755 V763 L764 K783 L828 L904L755-L781 HydrophobicContact CD1-CD1 3.75Å; L755-L781 HydrophobicContact CD1-CG 4.45Å; V763-L781 HydrophobicContact CG1-CD1 4.18Å; V763-L781 HydrophobicContact CG1-CD2 3.6Å; V763-L781 HydrophobicContact CG1-CG 3.91Å; L764-L781 CarbonylContact O-C 3.58Å; L764-L781 WeakPolarHBondContact O-CA 3.24Å; L781-K783 HydrophobicContact CD2-CG 4.2Å; L781-L828 HydrophobicContact CB-CB 4.5Å; L781-L828 HydrophobicContact CD2-CD1 4.15Å; L781-L828 PolarHBondContact N-O 3Å; L781-L828 PolarHBondContact O-N 2.86Å; L781-L904 HydrophobicContact CD1-CD2 3.71Å; L781-L904 HydrophobicContact CD2-CD2 3.35Å; L781-L904 HydrophobicContact CG-CD2 4.18Å
782V87.4Confident74.4Confident0 Ų061.7 Ų61.70%032%0.318CS..EExtended strand (participates in β ladder)trans-119.3121.8-172.5-178.20000109.2L749 V763 L764 S766 V780 Y825 M826 I827L749-V782 HydrophobicContact CD1-CG2 3.92Å; L749-V782 HydrophobicContact CD2-CG1 4.11Å; L749-V782 HydrophobicContact CD2-CG2 3.88Å; L749-V782 HydrophobicContact CG-CG2 4.37Å; V763-V782 CarbonylContact C-O 3.53Å; V763-V782 WeakPolarHBondContact CA-O 2.92Å; L764-V782 HydrophobicContact CB-CB 4.18Å; L764-V782 HydrophobicContact CD1-CG1 4.48Å; L764-V782 PolarHBondContact N-O 3.39Å; L764-V782 PolarHBondContact O-N 3.21Å; S766-V782 WeakPolarHBondContact OG-CG2 3.43Å; V780-V782 HydrophobicContact CG2-CG2 4.01Å; V782-Y825 HydrophobicContact CG1-CD1 3.72Å; V782-Y825 HydrophobicContact CG1-CD2 4.25Å; V782-Y825 HydrophobicContact CG1-CE1 4.45Å; V782-Y825 HydrophobicContact CG1-CG 3.63Å; V782-M826 CarbonylContact C-O 3.55Å; V782-M826 WeakPolarHBondContact CA-O 3.43Å; V782-I827 HydrophobicContact CG2-CG1 4.48Å; V782-I827 HydrophobicContact CG2-CG2 4.44Å
783K87.4Confident74.1Confident6 Ų659.5 Ų59.53%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-101.2128.2172.6-78.2171.7176.4133.20110.5V763 L781 F796 Y825 M826 L828 L902 L904V763-K783 HydrophobicContact CG1-CG 4.21Å; V763-K783 HydrophobicContact CG2-CG 3.87Å; L781-K783 HydrophobicContact CD2-CG 4.2Å; K783-F796 HydrophobicContact CB-CE2 4.4Å; K783-Y825 WeakPolarHBondContact O-CA 3.4Å; K783-M826 HydrophobicContact CB-CB 4.34Å; K783-M826 PolarHBondContact N-O 2.89Å; K783-M826 PolarHBondContact O-N 3.3Å; K783-L828 HydrophobicContact CD-CD1 3.94Å; K783-L902 HydrophobicContact CD-CB 4.06Å; K783-L902 HydrophobicContact CD-CD1 3.44Å; K783-L902 VanDerWaalsContact CD-CD1 3.44Å; K783-L902 HydrophobicContact CD-CD2 3.84Å; K783-L902 HydrophobicContact CD-CG 3.91Å; K783-L904 VanDerWaalsContact CE-CD2 3.47Å
784S85.6Confident74.1Confident1 Ų151.9 Ų51.91%0.00728%0.278CS..EExtended strand (participates in β ladder)trans-97144.8177.672.10000112F760 G761 E762 H824F760-S784 CarbonylContact C-O 3.59Å; F760-S784 VanDerWaalsContact C-O 3.26Å; G761-S784 VanDerWaalsContact CA-O 3.3Å; G761-S784 WeakPolarHBondContact CA-O 3.48Å; G761-S784 PolarHBondContact N-O 3.01Å; E762-S784 WeakPolarHBondContact CA-OG 3.49Å; E762-S784 PolarHBondContact N-OG 3.12Å; E762-S784 WeakPolarHBondContact O-CB 3.47Å; E762-S784 PolarHBondContact O-N 3.11Å; E762-S784 PolarHBondContact O-OG 3.5Å; S784-H824 CarbonylContact C-O 3.51Å; S784-H824 WeakPolarHBondContact CA-O 3.35Å
785L82.9Confident74.5Confident7 Ų748.2 Ų48.24%0.03725%0.25CS..EExtended strand (participates in β ladder)trans-101.7102.9165.7177.264000108.2F760 Q793 F796 P823 H824F760-L785 HydrophobicContact CB-CD1 4.01Å; F760-L785 HydrophobicContact CD1-CD1 4.3Å; L785-Q793 HydrophobicContact CD1-CG 4.13Å; L785-Q793 HydrophobicContact CD2-CB 4.1Å; L785-Q793 HydrophobicContact CD2-CG 3.89Å; L785-Q793 HydrophobicContact CG-CG 4.3Å; L785-F796 HydrophobicContact CB-CD1 3.91Å; L785-F796 HydrophobicContact CB-CD2 4.03Å; L785-F796 HydrophobicContact CB-CE1 3.91Å; L785-F796 HydrophobicContact CB-CE2 4.02Å; L785-F796 HydrophobicContact CB-CG 3.96Å; L785-F796 HydrophobicContact CB-CZ 3.95Å; L785-F796 HydrophobicContact CD1-CB 3.97Å; L785-F796 HydrophobicContact CD1-CD2 4.45Å; L785-F796 HydrophobicContact CD1-CG 4.14Å; L785-F796 HydrophobicContact CD2-CB 4.1Å; L785-F796 HydrophobicContact CD2-CD1 3.68Å; L785-F796 HydrophobicContact CD2-CE1 4.29Å; L785-F796 HydrophobicContact CD2-CG 3.98Å; L785-F796 HydrophobicContact CG-CB 4.48Å; L785-F796 HydrophobicContact CG-CD1 4.31Å; L785-F796 HydrophobicContact CG-CG 4.26Å; L785-P823 WeakPolarHBondContact O-CA 3.16Å; L785-P823 WeakPolarHBondContact O-CB 3.25Å; L785-H824 HydrophobicContact CB-CB 4.34Å; L785-H824 PolarHBondContact N-O 2.74Å
786Q70.1Confident75.2Confident84 Ų8444.1 Ų44.139%0.39323%0.231SC..  trans-105.9-3.9179.6-69.1179.7-8.400112.8F760 E762 P823F760-Q786 PolarHBondContact O-N 3.37Å; E762-Q786 VanDerWaalsContact CD-NE2 3.32Å; E762-Q786 PolarHBondContact OE2-NE2 3.05Å; Q786-P823 HydrophobicContact CG-CB 3.83Å; Q786-P823 HydrophobicContact CG-CG 4.32Å
787S65.9Low75.4Confident33 Ų3342.4 Ų42.423%0.23121%0.211CC..  trans-87.1139.4-177-168.40000112.9D789 L792 Q793S787-D789 VanDerWaalsContact C-N 3.31Å; S787-D789 WeakPolarHBondContact OG-CB 3.36Å; S787-D789 PolarHBondContact OG-N 3.29Å; S787-D789 VanDerWaalsContact OG-N 3.13Å; S787-L792 WeakPolarHBondContact OG-CD1 2.97Å; S787-Q793 WeakPolarHBondContact O-CG 3.25Å; S787-Q793 PolarHBondContact O-NE2 2.93Å
788R60.5Low75.1Confident86 Ų8643.4 Ų43.433%0.32521%0.211SC..  trans-87-2.5168.4-66.9-172.9176-151.2-0.5112.8E454 T459 K481 E790E454-R788 IonicContact OE1-NH1 2.83Å; E454-R788 IonicContact OE2-CZ 2.71Å; E454-R788 IonicContact OE2-NH1 3.64Å; E454-R788 PolarHBondContact OE2-NH1 2.78Å; T459-R788 PolarHBondContact OG1-NH2 3.32Å; K481-R788 VanDerWaalsContact CD-CZ 3.47Å; K481-R788 VanDerWaalsContact CD-NH2 3.34Å; R788-E790 PolarHBondContact O-N 2.76Å
789D69Low74.9Confident79 Ų7943.9 Ų43.942%0.42221%0.212SC..  trans-70.9119.8179-179.3-75000110.8S787 Q791 L792 Q793S787-D789 VanDerWaalsContact C-N 3.31Å; S787-D789 WeakPolarHBondContact OG-CB 3.36Å; S787-D789 PolarHBondContact OG-N 3.29Å; S787-D789 VanDerWaalsContact OG-N 3.13Å; D789-Q791 PolarHBondContact O-N 2.74Å; D789-Q791 WeakPolarHBondContact OD1-CA 3.29Å; D789-Q791 VanDerWaalsContact OD1-CB 3.25Å; D789-Q791 WeakPolarHBondContact OD1-CB 3.42Å; D789-Q791 PolarHBondContact OD1-N 3.4Å; D789-L792 HydrophobicContact CB-CB 4.1Å; D789-L792 HydrophobicContact CB-CD1 3.92Å; D789-L792 HydrophobicContact CB-CG 4.2Å; D789-L792 PolarHBondContact O-N 3.33Å; D789-L792 PolarHBondContact OD1-N 2.99Å; D789-Q793 WeakPolarHBondContact O-CG 3.43Å; D789-Q793 PolarHBondContact O-N 3.25Å
790E58.3Low75.1Confident76 Ų7640.9 Ų40.936%0.35519%0.194SC..Hα-helixtrans-57.9-36.4-176.3-71.2-174.1-138.400112.7R400 Y428 Q431 R788 Q793 S794R400-E790 IonicContact NH2-OE2 2.57Å; R400-E790 PolarHBondContact NH2-OE2 2.81Å; Y428-E790 VanDerWaalsContact CB-CG 3.49Å; Y428-E790 WeakPolarHBondContact CB-OE1 3.45Å; Y428-E790 HydrophobicContact CG-CG 4.1Å; Q431-E790 PolarHBondContact NE2-OE1 3.24Å; R788-E790 PolarHBondContact O-N 2.76Å; E790-Q793 PolarHBondContact O-N 3.45Å; E790-S794 VanDerWaalsContact O-CB 3.24Å; E790-S794 WeakPolarHBondContact O-CB 3.22Å; E790-S794 PolarHBondContact O-N 3.28Å
791Q64.1Low74.7Confident115 Ų11545.7 Ų45.754%0.53722%0.217SC..Hα-helixtrans-69.1-43.5-179.4-172.662.142.800110.5D789 S794 N795D789-Q791 PolarHBondContact O-N 2.74Å; D789-Q791 WeakPolarHBondContact OD1-CA 3.29Å; D789-Q791 VanDerWaalsContact OD1-CB 3.25Å; D789-Q791 WeakPolarHBondContact OD1-CB 3.42Å; D789-Q791 PolarHBondContact OD1-N 3.4Å; Q791-S794 PolarHBondContact O-N 3.48Å; Q791-N795 PolarHBondContact NE2-OD1 3.14Å; Q791-N795 VanDerWaalsContact NE2-OD1 3.1Å; Q791-N795 VanDerWaalsContact O-CB 3.25Å; Q791-N795 WeakPolarHBondContact O-CB 3.26Å; Q791-N795 PolarHBondContact O-N 3.43Å; Q791-N795 PolarHBondContact O-ND2 2.66Å; Q791-N795 PolarHBondContact O-OD1 2.56Å
792L67.3Low74.3Confident40 Ų4048 Ų4821%0.20923%0.228CC..Hα-helixtrans-65.7-38.8175.5-73.2172.4000112.2E759 F760 S787 D789 F796E759-L792 HydrophobicContact CG-CD2 3.61Å; F760-L792 HydrophobicContact CD1-CB 4.27Å; F760-L792 HydrophobicContact CD1-CD2 4.09Å; F760-L792 VanDerWaalsContact CD1-O 3.28Å; F760-L792 WeakPolarHBondContact CD1-O 3.41Å; F760-L792 HydrophobicContact CE1-CD2 4.08Å; F760-L792 WeakPolarHBondContact CE1-O 3.18Å; S787-L792 WeakPolarHBondContact OG-CD1 2.97Å; D789-L792 HydrophobicContact CB-CB 4.1Å; D789-L792 HydrophobicContact CB-CD1 3.92Å; D789-L792 HydrophobicContact CB-CG 4.2Å; D789-L792 PolarHBondContact O-N 3.33Å; D789-L792 PolarHBondContact OD1-N 2.99Å; L792-F796 WeakPolarHBondContact O-CB 3.41Å; L792-F796 PolarHBondContact O-N 2.88Å
793Q71.3Confident73.9Confident8 Ų848.2 Ų48.24%0.03723%0.229CC..Hα-helixtrans-67.7-42.3175.5-62.3-167-100112.3L785 S787 D789 E790 F796 R797L785-Q793 HydrophobicContact CD1-CG 4.13Å; L785-Q793 HydrophobicContact CD2-CB 4.1Å; L785-Q793 HydrophobicContact CD2-CG 3.89Å; L785-Q793 HydrophobicContact CG-CG 4.3Å; S787-Q793 WeakPolarHBondContact O-CG 3.25Å; S787-Q793 PolarHBondContact O-NE2 2.93Å; D789-Q793 WeakPolarHBondContact O-CG 3.43Å; D789-Q793 PolarHBondContact O-N 3.25Å; E790-Q793 PolarHBondContact O-N 3.45Å; Q793-F796 PolarHBondContact O-N 3.32Å; Q793-R797 WeakPolarHBondContact O-CG 3.47Å; Q793-R797 PolarHBondContact O-N 3.09Å
794S69.6Low73.7Confident57 Ų5750.1 Ų50.140%0.39925%0.245SC..Hα-helixtrans-61.6-46175-1770000111.1E790 Q791 F796 R797 R798E790-S794 VanDerWaalsContact O-CB 3.24Å; E790-S794 WeakPolarHBondContact O-CB 3.22Å; E790-S794 PolarHBondContact O-N 3.28Å; Q791-S794 PolarHBondContact O-N 3.48Å; S794-F796 PolarHBondContact O-N 3.44Å; S794-R797 PolarHBondContact O-N 2.87Å; S794-R798 VanDerWaalsContact O-CB 3.3Å; S794-R798 WeakPolarHBondContact O-CB 3.37Å; S794-R798 PolarHBondContact O-N 3.27Å
795N71.6Confident73.5Confident27 Ų2757.8 Ų57.814%0.14428%0.279CS..Hα-helixtrans-58.7-45.9175-74-10000111.5F760 Q791 R797 R798 E799F760-N795 HydrophobicContact CE1-CB 3.68Å; F760-N795 HydrophobicContact CZ-CB 3.98Å; Q791-N795 PolarHBondContact NE2-OD1 3.14Å; Q791-N795 VanDerWaalsContact NE2-OD1 3.1Å; Q791-N795 VanDerWaalsContact O-CB 3.25Å; Q791-N795 WeakPolarHBondContact O-CB 3.26Å; Q791-N795 PolarHBondContact O-N 3.43Å; Q791-N795 PolarHBondContact O-ND2 2.66Å; Q791-N795 PolarHBondContact O-OD1 2.56Å; N795-R797 PolarHBondContact O-N 3.4Å; N795-R798 PolarHBondContact O-N 3.49Å; N795-R798 PolarHBondContact OD1-NH2 3.48Å; N795-E799 VanDerWaalsContact O-CB 3.24Å; N795-E799 WeakPolarHBondContact O-CB 3.43Å; N795-E799 PolarHBondContact O-N 3.38Å
796F80Confident73.5Confident10 Ų1058.1 Ų58.14%0.04428%0.281CS..Hα-helixtrans-61.9-42.3177.5-175.7-93.5000113F760 K783 L785 L792 Q793 S794 E799 A800 H824 M826F760-F796 HydrophobicContact CB-CD2 3.75Å; F760-F796 HydrophobicContact CB-CE2 4.34Å; F760-F796 HydrophobicContact CD1-CB 3.81Å; F760-F796 HydrophobicContact CD1-CD2 4.21Å; F760-F796 AromaticContact CD2-CD2 3.68Å; F760-F796 HydrophobicContact CD2-CD2 3.68Å; F760-F796 HydrophobicContact CD2-CE2 4.48Å; F760-F796 HydrophobicContact CE1-CB 4Å; F760-F796 HydrophobicContact CE2-CD2 4.34Å; F760-F796 HydrophobicContact CG-CB 4.08Å; F760-F796 AromaticContact CG-CD2 3.59Å; F760-F796 HydrophobicContact CG-CD2 3.59Å; F760-F796 HydrophobicContact CG-CG 4.31Å; F760-F796 HydrophobicContact CZ-CB 4.42Å; K783-F796 HydrophobicContact CB-CE2 4.4Å; L785-F796 HydrophobicContact CB-CD1 3.91Å; L785-F796 HydrophobicContact CB-CD2 4.03Å; L785-F796 HydrophobicContact CB-CE1 3.91Å; L785-F796 HydrophobicContact CB-CE2 4.02Å; L785-F796 HydrophobicContact CB-CG 3.96Å; L785-F796 HydrophobicContact CB-CZ 3.95Å; L785-F796 HydrophobicContact CD1-CB 3.97Å; L785-F796 HydrophobicContact CD1-CD2 4.45Å; L785-F796 HydrophobicContact CD1-CG 4.14Å; L785-F796 HydrophobicContact CD2-CB 4.1Å; L785-F796 HydrophobicContact CD2-CD1 3.68Å; L785-F796 HydrophobicContact CD2-CE1 4.29Å; L785-F796 HydrophobicContact CD2-CG 3.98Å; L785-F796 HydrophobicContact CG-CB 4.48Å; L785-F796 HydrophobicContact CG-CD1 4.31Å; L785-F796 HydrophobicContact CG-CG 4.26Å; L792-F796 WeakPolarHBondContact O-CB 3.41Å; L792-F796 PolarHBondContact O-N 2.88Å; Q793-F796 PolarHBondContact O-N 3.32Å; S794-F796 PolarHBondContact O-N 3.44Å; F796-E799 PolarHBondContact O-N 2.9Å; F796-A800 PolarHBondContact O-N 3.35Å; F796-H824 HydrophobicContact CE1-CB 4.23Å; F796-M826 HydrophobicContact CD2-CE 4.32Å; F796-M826 HydrophobicContact CE2-CB 4.17Å; F796-M826 HydrophobicContact CE2-CE 4.16Å; F796-M826 HydrophobicContact CZ-CB 3.79Å; F796-M826 HydrophobicContact CZ-CE 4.36Å
797R77.4Confident74.2Confident85 Ų8558.8 Ų58.832%0.32129%0.294SS..Hα-helixtrans-67.7-47.3176.6-70.6-176.9-156.2125.22.9111.8Y428 Q793 S794 N795 E799 A800 E801Y428-R797 PolarHBondContact OH-NH2 3.1Å; Q793-R797 WeakPolarHBondContact O-CG 3.47Å; Q793-R797 PolarHBondContact O-N 3.09Å; S794-R797 PolarHBondContact O-N 2.87Å; N795-R797 PolarHBondContact O-N 3.4Å; R797-E799 PolarHBondContact O-N 3.15Å; R797-A800 WeakPolarHBondContact O-CB 3.37Å; R797-A800 PolarHBondContact O-N 3.15Å; R797-A800 VanDerWaalsContact O-N 3.16Å; R797-E801 WeakPolarHBondContact O-CG 3.32Å; R797-E801 PolarHBondContact O-N 2.9Å
798R73.2Confident75.4Confident112 Ų11259.5 Ų59.542%0.42329%0.294SS..Hα-helixtrans-55.5-42.2176.5-171.5178.163.9-173.3-4.3109.9S794 N795 E801 M802S794-R798 VanDerWaalsContact O-CB 3.3Å; S794-R798 WeakPolarHBondContact O-CB 3.37Å; S794-R798 PolarHBondContact O-N 3.27Å; N795-R798 PolarHBondContact O-N 3.49Å; N795-R798 PolarHBondContact OD1-NH2 3.48Å; R798-E801 PolarHBondContact O-N 2.94Å; R798-M802 HydrophobicContact CG-CE 3.99Å; R798-M802 HydrophobicContact CG-SD 4.25Å; R798-M802 WeakPolarHBondContact O-CB 3.41Å; R798-M802 WeakPolarHBondContact O-CE 3.38Å; R798-M802 WeakPolarHBondContact O-CG 3.42Å; R798-M802 PolarHBondContact O-N 2.78Å
799E78.8Confident76.7Confident17 Ų1758.7 Ų58.78%0.07930%0.3CS..Hα-helixtrans-65.3-46.3176.6-173.9160.8-153.700113.8F760 N795 F796 R797 E801 M802 F803 M826 S901 L902F760-E799 WeakPolarHBondContact CE2-OE2 3.46Å; F760-E799 WeakPolarHBondContact CZ-OE2 3.43Å; N795-E799 VanDerWaalsContact O-CB 3.24Å; N795-E799 WeakPolarHBondContact O-CB 3.43Å; N795-E799 PolarHBondContact O-N 3.38Å; F796-E799 PolarHBondContact O-N 2.9Å; R797-E799 PolarHBondContact O-N 3.15Å; E799-E801 VanDerWaalsContact C-N 3.33Å; E799-E801 PolarHBondContact O-N 2.96Å; E799-M802 HydrophobicContact CB-CE 4.37Å; E799-M802 PolarHBondContact O-N 2.9Å; E799-F803 HydrophobicContact CG-CD2 4.13Å; E799-F803 HydrophobicContact CG-CE2 4.4Å; E799-F803 WeakPolarHBondContact O-CD2 3.15Å; E799-F803 PolarHBondContact O-N 2.98Å; E799-M826 HydrophobicContact CB-CE 4.24Å; E799-M826 HydrophobicContact CG-CE 4.03Å; E799-S901 WeakPolarHBondContact OE1-CB 3.33Å; E799-S901 PolarHBondContact OE1-OG 3.04Å; E799-L902 VanDerWaalsContact CD-CD2 3.44Å; E799-L902 HydrophobicContact CG-CD1 4.42Å; E799-L902 VanDerWaalsContact OE1-CD1 3.27Å; E799-L902 WeakPolarHBondContact OE1-CD1 3.45Å; E799-L902 VanDerWaalsContact OE1-CD2 3.24Å; E799-L902 WeakPolarHBondContact OE1-CD2 3.38Å; E799-L902 WeakPolarHBondContact OE1-CG 3.45Å; E799-L902 WeakPolarHBondContact OE2-CD2 3.42Å
800A82.6Confident77.9Confident3 Ų355.6 Ų55.63%0.02528%0.283CS..Hα-helixtrans-56.6-46.5173.800000112.2F796 R797 M802 F803 A804 L814 L817 M826F796-A800 PolarHBondContact O-N 3.35Å; R797-A800 WeakPolarHBondContact O-CB 3.37Å; R797-A800 PolarHBondContact O-N 3.15Å; R797-A800 VanDerWaalsContact O-N 3.16Å; A800-M802 VanDerWaalsContact C-N 3.33Å; A800-M802 PolarHBondContact O-N 3.43Å; A800-F803 PolarHBondContact O-N 3.27Å; A800-A804 WeakPolarHBondContact O-CB 3.36Å; A800-A804 PolarHBondContact O-N 3.27Å; A800-L814 WeakPolarHBondContact O-CD2 3.4Å; A800-L817 HydrophobicContact CB-CD1 4.09Å; A800-L817 HydrophobicContact CB-CD2 3.87Å; A800-M826 HydrophobicContact CB-CE 3.87Å
801E80.6Confident79.5Confident102 Ų10252.1 Ų52.148%0.47727%0.267SS..Hα-helixtrans-68.2-31.6-179.9-72.3175.2-171.700113.3R797 R798 E799 K805R797-E801 WeakPolarHBondContact O-CG 3.32Å; R797-E801 PolarHBondContact O-N 2.9Å; R798-E801 PolarHBondContact O-N 2.94Å; E799-E801 VanDerWaalsContact C-N 3.33Å; E799-E801 PolarHBondContact O-N 2.96Å; E801-K805 WeakPolarHBondContact O-CG 3.37Å
802M76.2Confident80.7Confident60 Ų6046.8 Ų46.830%0.29624%0.242SC..Hα-helixtrans-69-52.4173.8-75-176.5-56.100110.3R798 E799 A800 A804 K805 L806 F879R798-M802 HydrophobicContact CG-CE 3.99Å; R798-M802 HydrophobicContact CG-SD 4.25Å; R798-M802 WeakPolarHBondContact O-CB 3.41Å; R798-M802 WeakPolarHBondContact O-CE 3.38Å; R798-M802 WeakPolarHBondContact O-CG 3.42Å; R798-M802 PolarHBondContact O-N 2.78Å; E799-M802 HydrophobicContact CB-CE 4.37Å; E799-M802 PolarHBondContact O-N 2.9Å; A800-M802 VanDerWaalsContact C-N 3.33Å; A800-M802 PolarHBondContact O-N 3.43Å; M802-A804 PolarHBondContact O-N 2.85Å; M802-K805 PolarHBondContact O-N 2.78Å; M802-L806 WeakPolarHBondContact O-CG 3.36Å; M802-F879 HydrophobicContact CB-CD2 4.43Å; M802-F879 HydrophobicContact CB-CE2 4.41Å; M802-F879 HydrophobicContact CE-CD2 4.12Å; M802-F879 HydrophobicContact CE-CE2 3.52Å; M802-F879 HydrophobicContact CG-CD2 4.49Å; M802-F879 HydrophobicContact SD-CD2 3.57Å; M802-F879 VanDerWaalsContact SD-CD2 3.57Å; M802-F879 HydrophobicContact SD-CE2 3.63Å
803F80Confident81.7Confident5 Ų549.3 Ų49.32%0.02225%0.249CC..Hα-helixtrans-65-27.8-179.7-87-101.3000113.7E799 A800 K805 L806 V811 V812 L814 F879 S901E799-F803 HydrophobicContact CG-CD2 4.13Å; E799-F803 HydrophobicContact CG-CE2 4.4Å; E799-F803 WeakPolarHBondContact O-CD2 3.15Å; E799-F803 PolarHBondContact O-N 2.98Å; A800-F803 PolarHBondContact O-N 3.27Å; F803-K805 PolarHBondContact O-N 2.79Å; F803-K805 VanDerWaalsContact O-N 3.17Å; F803-L806 HydrophobicContact CD2-CD1 4.48Å; F803-L806 HydrophobicContact CE2-CD1 4.44Å; F803-L806 PolarHBondContact O-N 2.88Å; F803-V811 HydrophobicContact CE1-CG1 4.21Å; F803-V812 VanDerWaalsContact CD1-O 3.24Å; F803-V812 WeakPolarHBondContact CD1-O 3.35Å; F803-V812 HydrophobicContact CE1-CB 4.41Å; F803-V812 VanDerWaalsContact CE1-O 3.3Å; F803-V812 WeakPolarHBondContact CE1-O 3.49Å; F803-L814 HydrophobicContact CB-CB 3.89Å; F803-L814 HydrophobicContact CB-CD2 4.37Å; F803-F879 HydrophobicContact CE2-CZ 4.25Å; F803-S901 WeakPolarHBondContact CE2-OG 2.98Å; F803-S901 WeakPolarHBondContact CZ-OG 3.05Å
804A83.1Confident82.6Confident45 Ų4549.3 Ų49.337%0.37225%0.249SC..THydrogen-bonded Turntrans-57.9-23.917100000113.9L742 A800 M802 L814L742-A804 HydrophobicContact CD1-CB 3.28Å; A800-A804 WeakPolarHBondContact O-CB 3.36Å; A800-A804 PolarHBondContact O-N 3.27Å; M802-A804 PolarHBondContact O-N 2.85Å; A804-L814 HydrophobicContact CB-CD2 4Å
805K80.5Confident83.6Confident162 Ų16247.5 Ų47.570%0.70424%0.235SC*.THydrogen-bonded Turntrans-100.9-7.2-176.9-62170.8-173.2171.60113.1E801 M802 F803E801-K805 WeakPolarHBondContact O-CG 3.37Å; M802-K805 PolarHBondContact O-N 2.78Å; F803-K805 PolarHBondContact O-N 2.79Å; F803-K805 VanDerWaalsContact O-N 3.17Å
806L82.6Confident84.5Confident15 Ų1546.2 Ų46.28%0.07923%0.229CC..  trans-98.1136.8-175-63.8173.4000110.9M802 F803 V811 L874 H877M802-L806 WeakPolarHBondContact O-CG 3.36Å; F803-L806 HydrophobicContact CD2-CD1 4.48Å; F803-L806 HydrophobicContact CE2-CD1 4.44Å; F803-L806 PolarHBondContact O-N 2.88Å; L806-V811 HydrophobicContact CD1-CG1 4.36Å; L806-L874 HydrophobicContact CD1-CD2 3.45Å; L806-L874 VanDerWaalsContact CD1-CD2 3.45Å; L806-L874 HydrophobicContact CD2-CD2 4.09Å; L806-L874 HydrophobicContact CG-CD2 4.39Å; L806-H877 HydrophobicContact CD2-CB 4.06Å
807S85.3Confident85Confident97 Ų9746.2 Ų46.268%0.67823%0.229SC*.  trans-150.5107.4174.3-176.30000109.7H873S807-H873 PolarHBondContact O-CE1 2.98Å
808H91Very high85.5Confident49 Ų4942.1 Ų42.123%0.22721%0.214CC..  trans-157.3142.4-178.7-171.6-97.4000110.9N810 V811 H873H808-N810 PolarHBondContact ND1-N 2.83Å; H808-N810 PolarHBondContact O-N 2.02Å; H808-V811 HydrophobicContact CB-CB 4.14Å; H808-V811 HydrophobicContact CB-CG2 4.03Å; H808-V811 PolarHBondContact O-N 2.79Å; H808-V811 VanDerWaalsContact O-N 3.13Å; H808-V811 VanDerWaalsContact O-O 3.06Å; H808-H873 HydrophobicContact CB-CB 4.28Å; H808-H873 AromaticContact CD2-CG 3.87Å; H808-H873 AromaticContact CD2-ND1 3.78Å; H808-H873 AromaticContact CG-CG 3.79Å
809P88.5Confident85.9Confident69 Ų6942.9 Ų42.945%0.44822%0.216SC..THydrogen-bonded Turntrans-60.9-18.1179.923.3-36.3000115K898P809-K898 WeakPolarHBondContact O-CE 3.49Å; P809-K898 WeakPolarHBondContact O-CG 3.27Å
810N94.4Very high85.4Confident13 Ų1346.4 Ų46.47%0.0723%0.233CC..THydrogen-bonded Turntrans-113.317.8178.1-57.5113.9000114.1H808 Q866 I897 K898 V899H808-N810 PolarHBondContact ND1-N 2.83Å; H808-N810 PolarHBondContact O-N 2.02Å; N810-Q866 VanDerWaalsContact CB-O 3.28Å; N810-Q866 WeakPolarHBondContact CB-O 3.29Å; N810-Q866 PolarHBondContact ND2-OE1 2.6Å; N810-I897 WeakPolarHBondContact CA-O 3.4Å; N810-I897 PolarHBondContact ND2-O 3.29Å; N810-K898 WeakPolarHBondContact O-CA 3.43Å; N810-V899 PolarHBondContact O-N 2.81Å
811V91.9Very high84.7Confident3 Ų348.5 Ų48.52%0.01825%0.25CS..BIsolated β-bridgetrans-128.6136.7172.4179.50000108.4F803 L806 H808 R813 L874 K898F803-V811 HydrophobicContact CE1-CG1 4.21Å; L806-V811 HydrophobicContact CD1-CG1 4.36Å; H808-V811 HydrophobicContact CB-CB 4.14Å; H808-V811 HydrophobicContact CB-CG2 4.03Å; H808-V811 PolarHBondContact O-N 2.79Å; H808-V811 VanDerWaalsContact O-N 3.13Å; H808-V811 VanDerWaalsContact O-O 3.06Å; V811-R813 PolarHBondContact O-N 2.86Å; V811-L874 HydrophobicContact CG1-CD2 4.06Å; V811-L874 HydrophobicContact CG2-CD2 4.29Å; V811-L874 HydrophobicContact CG2-CG 4.11Å; V811-K898 WeakPolarHBondContact O-CD 3.43Å
812V88.7Confident84.1Confident3 Ų347.1 Ų47.12%0.01824%0.244CC..PPolyproline II helixtrans-61.4134.9179.5173.80000110.6F803 L828 E829 L890 K898 V899F803-V812 VanDerWaalsContact CD1-O 3.24Å; F803-V812 WeakPolarHBondContact CD1-O 3.35Å; F803-V812 HydrophobicContact CE1-CB 4.41Å; F803-V812 VanDerWaalsContact CE1-O 3.3Å; F803-V812 WeakPolarHBondContact CE1-O 3.49Å; V812-L828 HydrophobicContact CG1-CB 4.09Å; V812-L828 HydrophobicContact CG1-CD2 4.26Å; V812-E829 VanDerWaalsContact CA-OE1 3.3Å; V812-E829 WeakPolarHBondContact CA-OE1 3.48Å; V812-E829 HydrophobicContact CG1-CG 3.96Å; V812-L890 HydrophobicContact CG2-CD1 3.77Å; V812-L890 HydrophobicContact CG2-CG 4.48Å; V812-K898 HydrophobicContact CG2-CB 3.8Å; V812-V899 PolarHBondContact N-O 3.42Å
813R88.7Confident84Confident93 Ų9345.3 Ų45.335%0.35124%0.236SC..PPolyproline II helixtrans-91.2136.5-178.9-170170.97192-13.9111.5E772 V811 L815 L828 E829E772-R813 IonicContact OE1-CZ 3.98Å; E772-R813 IonicContact OE1-NH2 2.72Å; E772-R813 PolarHBondContact OE1-NH2 3.27Å; V811-R813 PolarHBondContact O-N 2.86Å; R813-L815 HydrophobicContact CB-CD2 4.5Å; R813-L815 HydrophobicContact CG-CD2 4.29Å; R813-L828 WeakPolarHBondContact O-CA 3.42Å; R813-E829 HydrophobicContact CB-CG 4.38Å; R813-E829 WeakPolarHBondContact CB-OE1 3.08Å; R813-E829 PolarHBondContact N-OE1 3.03Å; R813-E829 PolarHBondContact O-N 2.94Å
814L90.6Very high84.1Confident8 Ų847.2 Ų47.24%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-79.4123.7163.8-178.870000110L742 A800 F803 A804 L817 M826 I827 L828L742-L814 HydrophobicContact CD1-CD2 4.01Å; L742-L814 HydrophobicContact CD2-CD2 4.41Å; L742-L814 HydrophobicContact CD2-CG 4.38Å; A800-L814 WeakPolarHBondContact O-CD2 3.4Å; F803-L814 HydrophobicContact CB-CB 3.89Å; F803-L814 HydrophobicContact CB-CD2 4.37Å; A804-L814 HydrophobicContact CB-CD2 4Å; L814-L817 HydrophobicContact CD1-CD2 3.95Å; L814-L817 HydrophobicContact CD2-CD2 4.21Å; L814-L817 HydrophobicContact CD2-CG 4.33Å; L814-M826 HydrophobicContact CD1-CG 3.27Å; L814-M826 HydrophobicContact CD1-SD 4.2Å; L814-I827 WeakPolarHBondContact CD1-O 3.47Å; L814-L828 HydrophobicContact CB-CD2 4.4Å; L814-L828 HydrophobicContact CD1-CD2 3.95Å
815L89.8Confident84.4Confident19 Ų1946.7 Ų46.710%0.09923%0.234CC..EExtended strand (participates in β ladder)trans-94.5-37-179.1-53.3-172.8000111.9I771 V780 R813 I827 E829I771-L815 HydrophobicContact CD1-CB 3.5Å; I771-L815 VanDerWaalsContact CD1-CB 3.5Å; I771-L815 HydrophobicContact CD1-CD1 4.17Å; I771-L815 HydrophobicContact CD1-CG 4.49Å; I771-L815 HydrophobicContact CG1-CB 3.94Å; V780-L815 HydrophobicContact CB-CD1 4.31Å; V780-L815 HydrophobicContact CG1-CD1 3.52Å; R813-L815 HydrophobicContact CB-CD2 4.5Å; R813-L815 HydrophobicContact CG-CD2 4.29Å; L815-I827 HydrophobicContact CB-CB 4.46Å; L815-I827 HydrophobicContact CB-CG2 4.2Å; L815-I827 WeakPolarHBondContact CB-O 3.15Å; L815-I827 HydrophobicContact CD1-CG2 4.42Å; L815-I827 PolarHBondContact N-O 2.77Å; L815-E829 HydrophobicContact CD1-CB 4.31Å; L815-E829 HydrophobicContact CD2-CB 4.28Å; L815-E829 HydrophobicContact CG-CB 4.46Å
816G90.1Very high84.9Confident1 Ų139 Ų391%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-177.2172-17800000114.1L742 I827L742-G816 CarbonylContact O-C 3.53Å; L742-G816 VanDerWaalsContact O-CA 3.27Å; L742-G816 WeakPolarHBondContact O-CA 3.36Å; G816-I827 PolarHBondContact N-O 3Å; G816-I827 WeakPolarHBondContact O-CB 3.44Å; G816-I827 PolarHBondContact O-N 2.82Å
817L90.9Very high85.3Confident9 Ų938.2 Ų38.25%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-134.2125.6-178.5-61.8177.5000110.5L742 F744 A800 L814 R819 Y825 M826L742-L817 PolarHBondContact O-N 3.31Å; F744-L817 PolarHBondContact N-O 2.91Å; A800-L817 HydrophobicContact CB-CD1 4.09Å; A800-L817 HydrophobicContact CB-CD2 3.87Å; L814-L817 HydrophobicContact CD1-CD2 3.95Å; L814-L817 HydrophobicContact CD2-CD2 4.21Å; L814-L817 HydrophobicContact CD2-CG 4.33Å; L817-R819 HydrophobicContact CB-CG 4.32Å; L817-Y825 WeakPolarHBondContact CA-O 3.28Å; L817-M826 HydrophobicContact CD2-CB 4.15Å; L817-M826 HydrophobicContact CD2-CG 4.03Å
818C88.1Confident85.5Confident0 Ų033.8 Ų33.80%017%0.165CC..EExtended strand (participates in β ladder)trans-98.1112.5170-510000109.3F744 R746 E820 Y825F744-C818 PolarHBondContact O-SG 3.3Å; R746-C818 HydrophobicContact CB-CB 4.46Å; C818-E820 WeakPolarHBondContact CA-OE2 3.27Å; C818-E820 WeakPolarHBondContact CB-OE2 3.36Å; C818-Y825 HydrophobicContact CB-CD2 3.97Å; C818-Y825 HydrophobicContact CB-CG 4.36Å; C818-Y825 PolarHBondContact N-O 3.46Å; C818-Y825 PolarHBondContact O-N 3.13Å
819R80.6Confident85.2Confident127 Ų12732.7 Ų32.748%0.47916%0.16SC..  trans-118.71.9-174.6-62.5-178179.5-170.4-3.2113.2L817 A821L817-R819 HydrophobicContact CB-CG 4.32Å; R819-A821 VanDerWaalsContact C-N 3.34Å; R819-A821 PolarHBondContact O-N 3.03Å
820E70.3Confident85Confident91 Ų9133.5 Ų33.543%0.42516%0.155SC..SBendtrans-74.3-27.7-170.8-4695.3141.400112.7H743 P745 R746 C818H743-E820 IonicContact CE1-OE1 2.66Å; H743-E820 PolarHBondContact CE1-OE1 2.04Å; H743-E820 VanDerWaalsContact CE1-OE1 3.28Å; H743-E820 IonicContact NE2-OE1 3.43Å; P745-E820 WeakPolarHBondContact CA-OE1 3.42Å; R746-E820 PolarHBondContact N-OE1 2.8Å; C818-E820 WeakPolarHBondContact CA-OE2 3.27Å; C818-E820 WeakPolarHBondContact CB-OE2 3.36Å
821A67.5Low84.2Confident47 Ų4733.7 Ų33.739%0.38816%0.155SC..SBendtrans-151.8159.2-179.700000111.2R746 R819 P823R746-A821 PolarHBondContact NH2-O 2.86Å; R819-A821 VanDerWaalsContact C-N 3.34Å; R819-A821 PolarHBondContact O-N 3.03Å; A821-P823 CarbonylContact O-C 3.56Å
822E66.4Low82.9Confident73 Ų7336.5 Ų36.534%0.34117%0.17SC..SBendtrans-76.1148168.3-71.9-175.3157.800111.2R746R746-E822 PolarHBondContact NH1-O 2.86Å
823P74.8Confident81.8Confident22 Ų2238 Ų3814%0.14318%0.177CC..SBendcis-74.5139.2-729.9-34000111.6R746 L785 Q786 A821 Y825R746-P823 PolarHBondContact NH2-O 3.33Å; L785-P823 WeakPolarHBondContact O-CA 3.16Å; L785-P823 WeakPolarHBondContact O-CB 3.25Å; Q786-P823 HydrophobicContact CG-CB 3.83Å; Q786-P823 HydrophobicContact CG-CG 4.32Å; A821-P823 CarbonylContact O-C 3.56Å; P823-Y825 HydrophobicContact CB-CE1 4.39Å; P823-Y825 HydrophobicContact CG-CE1 3.72Å; P823-Y825 WeakPolarHBondContact O-CE1 3.26Å
824H83.3Confident81.2Confident45 Ų4534.7 Ų34.721%0.20817%0.173CC..EExtended strand (participates in β ladder)trans-65.4145.7178.7-62.4128.7000111.4S784 L785 F796S784-H824 CarbonylContact C-O 3.51Å; S784-H824 WeakPolarHBondContact CA-O 3.35Å; L785-H824 HydrophobicContact CB-CB 4.34Å; L785-H824 PolarHBondContact N-O 2.74Å; F796-H824 HydrophobicContact CE1-CB 4.23Å
825Y88.9Confident80.8Confident34 Ų3435.1 Ų35.113%0.13318%0.175CC..EExtended strand (participates in β ladder)trans-118137.8-177.5-61.1-39.9000113.6R746 L749 L764 V782 K783 L817 C818 P823R746-Y825 HydrophobicContact CG-CE2 4.46Å; L749-Y825 HydrophobicContact CD2-CD2 3.92Å; L749-Y825 HydrophobicContact CD2-CE2 4.34Å; L764-Y825 HydrophobicContact CD1-CE1 4.42Å; V782-Y825 HydrophobicContact CG1-CD1 3.72Å; V782-Y825 HydrophobicContact CG1-CD2 4.25Å; V782-Y825 HydrophobicContact CG1-CE1 4.45Å; V782-Y825 HydrophobicContact CG1-CG 3.63Å; K783-Y825 WeakPolarHBondContact O-CA 3.4Å; L817-Y825 WeakPolarHBondContact CA-O 3.28Å; C818-Y825 HydrophobicContact CB-CD2 3.97Å; C818-Y825 HydrophobicContact CB-CG 4.36Å; C818-Y825 PolarHBondContact N-O 3.46Å; C818-Y825 PolarHBondContact O-N 3.13Å; P823-Y825 HydrophobicContact CB-CE1 4.39Å; P823-Y825 HydrophobicContact CG-CE1 3.72Å; P823-Y825 WeakPolarHBondContact O-CE1 3.26Å
826M90.6Very high80.7Confident0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-107.5118.1165.4-173.8-168.8-57.900108.9V782 K783 F796 E799 A800 L814 L817 L828 L902V782-M826 CarbonylContact C-O 3.55Å; V782-M826 WeakPolarHBondContact CA-O 3.43Å; K783-M826 HydrophobicContact CB-CB 4.34Å; K783-M826 PolarHBondContact N-O 2.89Å; K783-M826 PolarHBondContact O-N 3.3Å; F796-M826 HydrophobicContact CD2-CE 4.32Å; F796-M826 HydrophobicContact CE2-CB 4.17Å; F796-M826 HydrophobicContact CE2-CE 4.16Å; F796-M826 HydrophobicContact CZ-CB 3.79Å; F796-M826 HydrophobicContact CZ-CE 4.36Å; E799-M826 HydrophobicContact CB-CE 4.24Å; E799-M826 HydrophobicContact CG-CE 4.03Å; A800-M826 HydrophobicContact CB-CE 3.87Å; L814-M826 HydrophobicContact CD1-CG 3.27Å; L814-M826 HydrophobicContact CD1-SD 4.2Å; L817-M826 HydrophobicContact CD2-CB 4.15Å; L817-M826 HydrophobicContact CD2-CG 4.03Å; M826-L828 HydrophobicContact CG-CD2 4.1Å; M826-L828 HydrophobicContact CG-CG 4.3Å; M826-L828 HydrophobicContact SD-CD1 4.36Å; M826-L828 HydrophobicContact SD-CD2 3.92Å; M826-L828 HydrophobicContact SD-CG 4.32Å; M826-L902 HydrophobicContact SD-CD1 4.08Å
827I91Very high80.4Confident0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-100.2116.5-177.3-48.9174000108.9F744 L749 I771 V780 V782 L814 L815 G816F744-I827 HydrophobicContact CB-CD1 3.72Å; F744-I827 HydrophobicContact CD1-CD1 3.29Å; F744-I827 HydrophobicContact CE1-CD1 4.03Å; F744-I827 HydrophobicContact CG-CD1 3.58Å; L749-I827 HydrophobicContact CD1-CD1 4.34Å; I771-I827 HydrophobicContact CD1-CB 4.15Å; I771-I827 HydrophobicContact CD1-CD1 4.03Å; I771-I827 HydrophobicContact CD1-CG2 3.51Å; V780-I827 HydrophobicContact CB-CG2 3.65Å; V780-I827 HydrophobicContact CG1-CG2 4.01Å; V780-I827 HydrophobicContact CG2-CG2 3.61Å; V782-I827 HydrophobicContact CG2-CG1 4.48Å; V782-I827 HydrophobicContact CG2-CG2 4.44Å; L814-I827 WeakPolarHBondContact CD1-O 3.47Å; L815-I827 HydrophobicContact CB-CB 4.46Å; L815-I827 HydrophobicContact CB-CG2 4.2Å; L815-I827 WeakPolarHBondContact CB-O 3.15Å; L815-I827 HydrophobicContact CD1-CG2 4.42Å; L815-I827 PolarHBondContact N-O 2.77Å; G816-I827 PolarHBondContact N-O 3Å; G816-I827 WeakPolarHBondContact O-CB 3.44Å; G816-I827 PolarHBondContact O-N 2.82Å
828L88.9Confident79.8Confident3 Ų337.9 Ų37.92%0.01619%0.187CC..EExtended strand (participates in β ladder)trans-113.9156.5-177.4-58.8171.4000109.9L781 K783 V812 R813 L814 M826 L902L781-L828 HydrophobicContact CB-CB 4.5Å; L781-L828 HydrophobicContact CD2-CD1 4.15Å; L781-L828 PolarHBondContact N-O 3Å; L781-L828 PolarHBondContact O-N 2.86Å; K783-L828 HydrophobicContact CD-CD1 3.94Å; V812-L828 HydrophobicContact CG1-CB 4.09Å; V812-L828 HydrophobicContact CG1-CD2 4.26Å; R813-L828 WeakPolarHBondContact O-CA 3.42Å; L814-L828 HydrophobicContact CB-CD2 4.4Å; L814-L828 HydrophobicContact CD1-CD2 3.95Å; M826-L828 HydrophobicContact CG-CD2 4.1Å; M826-L828 HydrophobicContact CG-CG 4.3Å; M826-L828 HydrophobicContact SD-CD1 4.36Å; M826-L828 HydrophobicContact SD-CD2 3.92Å; M826-L828 HydrophobicContact SD-CG 4.32Å; L828-L902 HydrophobicContact CD1-CD1 3.99Å
829E85.9Confident79.4Confident27 Ų2739.9 Ų39.913%0.12620%0.196CC..EExtended strand (participates in β ladder)trans-62.8147.3170.765.9-176.8147.900111.9V812 R813 L815 Y831 K898V812-E829 VanDerWaalsContact CA-OE1 3.3Å; V812-E829 WeakPolarHBondContact CA-OE1 3.48Å; V812-E829 HydrophobicContact CG1-CG 3.96Å; R813-E829 HydrophobicContact CB-CG 4.38Å; R813-E829 WeakPolarHBondContact CB-OE1 3.08Å; R813-E829 PolarHBondContact N-OE1 3.03Å; R813-E829 PolarHBondContact O-N 2.94Å; L815-E829 HydrophobicContact CD1-CB 4.31Å; L815-E829 HydrophobicContact CD2-CB 4.28Å; L815-E829 HydrophobicContact CG-CB 4.46Å; E829-Y831 HydrophobicContact CG-CD2 4.34Å; E829-Y831 HydrophobicContact CG-CE2 4.13Å; E829-K898 WeakPolarHBondContact OE1-CD 2.98Å; E829-K898 WeakPolarHBondContact OE1-CE 3.48Å; E829-K898 IonicContact OE1-NZ 3.1Å; E829-K898 PolarHBondContact OE1-NZ 3.33Å; E829-K898 IonicContact OE2-NZ 3.3Å; E829-K898 PolarHBondContact OE2-NZ 3.39Å
830Y82.9Confident79.4Confident86 Ų8633.9 Ų33.934%0.33717%0.173SC..  trans-99.9142.8179.5175.4-109.8000111.7L765 V779 D832L765-Y830 HydrophobicContact CD1-CD1 4.31Å; L765-Y830 HydrophobicContact CD1-CD2 3.4Å; L765-Y830 HydrophobicContact CD1-CE1 4.32Å; L765-Y830 HydrophobicContact CD1-CE2 3.44Å; L765-Y830 VanDerWaalsContact CD1-CE2 3.44Å; L765-Y830 HydrophobicContact CD1-CG 3.87Å; V779-Y830 HydrophobicContact CB-CD1 4.22Å; V779-Y830 HydrophobicContact CG1-CD1 3.61Å; V779-Y830 HydrophobicContact CG1-CE1 4.13Å; V779-Y830 HydrophobicContact CG1-CG 3.96Å; V779-Y830 WeakPolarHBondContact O-CB 3.08Å; Y830-D832 HydrophobicContact CE1-CB 4.45Å
831Y77.9Confident79.8Confident17 Ų1734.5 Ų34.57%0.06717%0.174CC..  trans-123122.1178.8-92.9-121.9000109.2E829 L833 G834 L890 N892 K898E829-Y831 HydrophobicContact CG-CD2 4.34Å; E829-Y831 HydrophobicContact CG-CE2 4.13Å; Y831-L833 PolarHBondContact O-N 2.72Å; Y831-G834 PolarHBondContact O-N 3.2Å; Y831-L890 HydrophobicContact CD1-CB 3.99Å; Y831-L890 HydrophobicContact CG-CB 3.92Å; Y831-L890 HydrophobicContact CG-CD1 4.49Å; Y831-N892 HydrophobicContact CD1-CB 3.67Å; Y831-N892 HydrophobicContact CE1-CB 3.88Å; Y831-N892 HydrophobicContact CG-CB 4.37Å; Y831-K898 HydrophobicContact CE1-CB 4.32Å; Y831-K898 HydrophobicContact CE1-CD 4.24Å; Y831-K898 HydrophobicContact CE1-CG 3.99Å; Y831-K898 HydrophobicContact CE2-CD 3.61Å; Y831-K898 HydrophobicContact CE2-CG 4.25Å; Y831-K898 WeakPolarHBondContact OH-CD 3.02Å; Y831-K898 WeakPolarHBondContact OH-CE 3.47Å; Y831-K898 WeakPolarHBondContact OH-CG 3.46Å; Y831-K898 PolarHBondContact OH-NZ 2.89Å
832D64.3Low79.9Confident62 Ų6237.4 Ų37.433%0.33218%0.182SC..THydrogen-bonded Turntrans-65.9-27.8-164.958.5-16.9000115Y830 N892 S893Y830-D832 HydrophobicContact CE1-CB 4.45Å; D832-N892 WeakPolarHBondContact OD1-CA 3.14Å; D832-N892 WeakPolarHBondContact OD1-CB 3.42Å; D832-S893 PolarHBondContact OD1-N 2.97Å; D832-S893 VanDerWaalsContact OD2-CB 3.24Å; D832-S893 WeakPolarHBondContact OD2-CB 3.32Å; D832-S893 PolarHBondContact OD2-OG 3.17Å
833L66.3Low80.1Confident33 Ų3334.8 Ų34.817%0.17317%0.172CC..THydrogen-bonded Turntrans-94.55.6178.3-54.9-170.9000114.1D583 Y831 F839 I891 N892D583-L833 HydrophobicContact CB-CD2 3.14Å; Y831-L833 PolarHBondContact O-N 2.72Å; L833-F839 HydrophobicContact CD1-CD2 4.14Å; L833-F839 HydrophobicContact CD1-CE2 4.09Å; L833-I891 HydrophobicContact CB-CG2 3.94Å; L833-I891 WeakPolarHBondContact CB-O 3.29Å; L833-I891 HydrophobicContact CD1-CG1 4.38Å; L833-I891 PolarHBondContact N-O 3.23Å; L833-N892 VanDerWaalsContact CD1-C 3.49Å; L833-N892 WeakPolarHBondContact CD1-O 3.41Å
834G75.4Confident79.6Confident25 Ų2538 Ų3826%0.25818%0.184SC..  trans66.9-144.4178.400000113.4Y831 L890 I891Y831-G834 PolarHBondContact O-N 3.2Å; G834-L890 WeakPolarHBondContact O-CA 3.39Å; G834-L890 WeakPolarHBondContact O-CD2 3.41Å; G834-I891 PolarHBondContact O-N 3.48Å
835D83.4Confident78.2Confident17 Ų1739 Ų399%0.09120%0.195CC..BIsolated β-bridgetrans-82.1149.6-177.176.376.8000113.5K837 Q838 F839 R887 C889 Y909D835-K837 PolarHBondContact O-N 2.66Å; D835-K837 WeakPolarHBondContact OD1-CA 3.43Å; D835-K837 VanDerWaalsContact OD1-CB 3.29Å; D835-K837 WeakPolarHBondContact OD1-CB 3.28Å; D835-K837 PolarHBondContact OD1-N 2.92Å; D835-Q838 PolarHBondContact O-N 3.07Å; D835-Q838 PolarHBondContact OD1-N 3.29Å; D835-F839 PolarHBondContact O-N 3.18Å; D835-R887 WeakPolarHBondContact CB-O 3.45Å; D835-C889 CarbonylContact C-O 3.53Å; D835-C889 WeakPolarHBondContact CA-O 3.39Å; D835-Y909 PolarHBondContact OD1-OH 3.29Å; D835-Y909 PolarHBondContact OD2-OH 3.21Å
836L86.6Confident76.1Confident0 Ų046.8 Ų46.80%023%0.23CC..Hα-helixtrans-65.1-27.4-175.8174.264.9000112F839 L840 I863 A886 C889 I891 I897 V952L836-F839 HydrophobicContact CD1-CD1 4.14Å; L836-F839 PolarHBondContact O-N 2.93Å; L836-L840 HydrophobicContact CD1-CD1 4.23Å; L836-L840 HydrophobicContact CD1-CG 4.07Å; L836-L840 HydrophobicContact CG-CD1 3.91Å; L836-L840 HydrophobicContact CG-CG 4.25Å; L836-L840 WeakPolarHBondContact O-CB 3.28Å; L836-L840 WeakPolarHBondContact O-CD1 3.38Å; L836-L840 WeakPolarHBondContact O-CG 3.27Å; L836-L840 PolarHBondContact O-N 3.23Å; L836-I863 HydrophobicContact CD1-CD1 4.32Å; L836-I863 HydrophobicContact CD1-CG2 3.97Å; L836-I863 HydrophobicContact CD2-CG2 3.61Å; L836-I863 HydrophobicContact CG-CG2 4.44Å; L836-A886 WeakPolarHBondContact CB-O 3.2Å; L836-A886 HydrophobicContact CG-CB 4.49Å; L836-C889 HydrophobicContact CB-CB 3.93Å; L836-C889 WeakPolarHBondContact CB-O 3.33Å; L836-C889 HydrophobicContact CD2-CB 3.93Å; L836-C889 PolarHBondContact N-O 2.9Å; L836-I891 HydrophobicContact CD1-CD1 4.36Å; L836-I897 HydrophobicContact CD1-CD1 4.18Å; L836-V952 HydrophobicContact CD2-CG2 4.34Å
837K84.2Confident73.8Confident0 Ų051 Ų510%025%0.252CS..Hα-helixtrans-70.2-44.9-178.9-172.8169.2-168.8144.40111.6D835 F839 L840 K841 A886 R887 Y909 E912 E951D835-K837 PolarHBondContact O-N 2.66Å; D835-K837 WeakPolarHBondContact OD1-CA 3.43Å; D835-K837 VanDerWaalsContact OD1-CB 3.29Å; D835-K837 WeakPolarHBondContact OD1-CB 3.28Å; D835-K837 PolarHBondContact OD1-N 2.92Å; K837-F839 VanDerWaalsContact C-N 3.33Å; K837-L840 PolarHBondContact O-N 3.1Å; K837-K841 WeakPolarHBondContact O-CG 3.37Å; K837-K841 PolarHBondContact O-N 2.96Å; K837-A886 HydrophobicContact CB-CB 3.93Å; K837-A886 PolarHBondContact N-O 3.45Å; K837-R887 HydrophobicContact CB-CB 4.31Å; K837-R887 HydrophobicContact CD-CB 4.21Å; K837-Y909 HydrophobicContact CD-CE1 4.42Å; K837-E912 WeakPolarHBondContact CE-OE1 2.98Å; K837-E912 IonicContact NZ-OE1 2.85Å; K837-E912 PolarHBondContact NZ-OE1 2.71Å; K837-E912 IonicContact NZ-OE2 3.21Å; K837-E912 PolarHBondContact NZ-OE2 2.81Å; K837-E951 IonicContact NZ-OE1 3.29Å; K837-E951 PolarHBondContact NZ-OE1 3.41Å
838Q77.9Confident71.4Confident87 Ų8759 Ų5941%0.40730%0.296SS..Hα-helixtrans-60.3-46.7173.7-72.4-179.82.200110.8D835 L840 K841 I842 Y909D835-Q838 PolarHBondContact O-N 3.07Å; D835-Q838 PolarHBondContact OD1-N 3.29Å; Q838-L840 VanDerWaalsContact C-N 3.31Å; Q838-L840 PolarHBondContact O-N 2.83Å; Q838-K841 PolarHBondContact O-N 2.89Å; Q838-I842 WeakPolarHBondContact O-CB 3.35Å; Q838-I842 WeakPolarHBondContact O-CD1 3.46Å; Q838-I842 VanDerWaalsContact O-CG1 3.22Å; Q838-I842 WeakPolarHBondContact O-CG1 3.34Å; Q838-I842 PolarHBondContact O-N 2.85Å; Q838-Y909 WeakPolarHBondContact CG-OH 3.26Å; Q838-Y909 PolarHBondContact NE2-OH 2.6Å
839F80.2Confident69.2Low42 Ų4266 Ų6618%0.18433%0.326CS..Hα-helixtrans-55-46.1176.1176.8-96.2000112.4L833 D835 L836 K837 S843 I855 I891L833-F839 HydrophobicContact CD1-CD2 4.14Å; L833-F839 HydrophobicContact CD1-CE2 4.09Å; D835-F839 PolarHBondContact O-N 3.18Å; L836-F839 HydrophobicContact CD1-CD1 4.14Å; L836-F839 PolarHBondContact O-N 2.93Å; K837-F839 VanDerWaalsContact C-N 3.33Å; F839-S843 PolarHBondContact O-N 2.99Å; F839-S843 VanDerWaalsContact O-N 3.11Å; F839-I855 HydrophobicContact CD1-CD1 4.32Å; F839-I855 HydrophobicContact CE1-CD1 3.65Å; F839-I855 HydrophobicContact CZ-CD1 4.35Å; F839-I891 HydrophobicContact CB-CG2 3.86Å; F839-I891 HydrophobicContact CD1-CD1 3.72Å; F839-I891 HydrophobicContact CD2-CD1 4.22Å; F839-I891 HydrophobicContact CD2-CG2 4.44Å; F839-I891 HydrophobicContact CE1-CD1 3.67Å; F839-I891 HydrophobicContact CE2-CD1 4.18Å; F839-I891 HydrophobicContact CG-CD1 4Å; F839-I891 HydrophobicContact CG-CG2 4.05Å; F839-I891 HydrophobicContact CZ-CD1 3.92Å
840L81.4Confident67Low0 Ų066.4 Ų66.40%033%0.33CS..Hα-helixtrans-64.4-44177.6-71.7167.4000112.3L836 K837 Q838 S843 K844 I855 A886 V952 L955L836-L840 HydrophobicContact CD1-CD1 4.23Å; L836-L840 HydrophobicContact CD1-CG 4.07Å; L836-L840 HydrophobicContact CG-CD1 3.91Å; L836-L840 HydrophobicContact CG-CG 4.25Å; L836-L840 WeakPolarHBondContact O-CB 3.28Å; L836-L840 WeakPolarHBondContact O-CD1 3.38Å; L836-L840 WeakPolarHBondContact O-CG 3.27Å; L836-L840 PolarHBondContact O-N 3.23Å; K837-L840 PolarHBondContact O-N 3.1Å; Q838-L840 VanDerWaalsContact C-N 3.31Å; Q838-L840 PolarHBondContact O-N 2.83Å; L840-S843 PolarHBondContact O-N 3.32Å; L840-S843 PolarHBondContact O-OG 2.99Å; L840-K844 PolarHBondContact O-N 3.22Å; L840-I855 HydrophobicContact CD2-CD1 4.01Å; L840-A886 HydrophobicContact CD1-CB 4.29Å; L840-V952 HydrophobicContact CD1-CB 4.47Å; L840-V952 HydrophobicContact CD1-CG2 4.21Å; L840-V952 HydrophobicContact CD2-CG1 4.3Å; L840-L955 CarbonylContact C-O 3.55Å; L840-L955 HydrophobicContact CD2-CD2 4.36Å
841K78.1Confident64.8Low105 Ų10571.5 Ų71.546%0.45735%0.354SS..Hα-helixtrans-64.6-41.8178.6-76-175.7175.4-1790112.2K837 Q838 S843 K844 G956K837-K841 WeakPolarHBondContact O-CG 3.37Å; K837-K841 PolarHBondContact O-N 2.96Å; Q838-K841 PolarHBondContact O-N 2.89Å; K841-S843 PolarHBondContact O-N 3.3Å; K841-K844 WeakPolarHBondContact O-CB 3.12Å; K841-K844 PolarHBondContact O-N 2.71Å; K841-K844 VanDerWaalsContact O-N 3.1Å; K841-G956 WeakPolarHBondContact CE-O 3.49Å
842I69.7Low63.1Low107 Ų10772.9 Ų72.955%0.54937%0.366SS..Hα-helixtrans-60.1-38.7175.6-67.8164.3000109.9Q838 K844 S845Q838-I842 WeakPolarHBondContact O-CB 3.35Å; Q838-I842 WeakPolarHBondContact O-CD1 3.46Å; Q838-I842 VanDerWaalsContact O-CG1 3.22Å; Q838-I842 WeakPolarHBondContact O-CG1 3.34Å; Q838-I842 PolarHBondContact O-N 2.85Å; I842-K844 PolarHBondContact O-N 3.25Å; I842-S845 PolarHBondContact O-N 3.4Å
843S69.8Low62.3Low18 Ų1878.6 Ų78.613%0.12639%0.39CS..THydrogen-bonded Turntrans-71.3-7.217880.30000115.7F839 L840 K841 I855F839-S843 PolarHBondContact O-N 2.99Å; F839-S843 VanDerWaalsContact O-N 3.11Å; L840-S843 PolarHBondContact O-N 3.32Å; L840-S843 PolarHBondContact O-OG 2.99Å; K841-S843 PolarHBondContact O-N 3.3Å; S843-I855 WeakPolarHBondContact OG-CD1 3.4Å
844K64.9Low62.1Low90 Ų9082.2 Ų82.239%0.39142%0.416SS..THydrogen-bonded Turntrans-91.5-17.9179.7-168.9-179.3-179.9179.40113.6L840 K841 I842 K846 L955 E957L840-K844 PolarHBondContact O-N 3.22Å; K841-K844 WeakPolarHBondContact O-CB 3.12Å; K841-K844 PolarHBondContact O-N 2.71Å; K841-K844 VanDerWaalsContact O-N 3.1Å; I842-K844 PolarHBondContact O-N 3.25Å; K844-K846 PolarHBondContact O-N 2.66Å; K844-K846 VanDerWaalsContact O-N 3.16Å; K844-L955 HydrophobicContact CB-CB 3.94Å; K844-L955 HydrophobicContact CB-CD1 4.03Å; K844-L955 HydrophobicContact CD-CB 4.16Å; K844-L955 HydrophobicContact CG-CB 4.14Å; K844-L955 HydrophobicContact CG-CD1 4.03Å; K844-E957 VanDerWaalsContact NZ-CD 3.33Å; K844-E957 IonicContact NZ-OE1 3.65Å; K844-E957 PolarHBondContact NZ-OE1 2.86Å
845S54.1Low62.3Low65 Ų6582.1 Ų82.146%0.45541%0.41SS..  trans-55.7118.8-169.8-173.40000112.4I842 D847I842-S845 PolarHBondContact O-N 3.4Å; S845-D847 PolarHBondContact O-N 2.97Å
846K43.7Very low62.3Low198 Ų19884.1 Ų84.186%0.86143%0.425SS*.  trans-90.743.6172.7-69.9-172.4177.3-178.90111.2K844 D848K844-K846 PolarHBondContact O-N 2.66Å; K844-K846 VanDerWaalsContact O-N 3.16Å; K846-D848 PolarHBondContact O-N 3.1Å
847D43.1Very low62.3Low88 Ų8886.9 Ų86.947%0.47144%0.442SS..  trans-77.2107.9168-151.7-14.2000106.5S845 K849 V850S845-D847 PolarHBondContact O-N 2.97Å; D847-K849 PolarHBondContact O-N 2.83Å; D847-V850 HydrophobicContact CB-CG2 4.35Å; D847-V850 PolarHBondContact O-N 2.76Å
848D41.5Very low62.4Low170 Ų17093.9 Ų93.991%0.90947%0.472SS*.THydrogen-bonded Turntrans-56.2-6.9-175.3-85.4-29.8000113.6K846K846-D848 PolarHBondContact O-N 3.1Å
849K41.6Very low62.8Low150 Ų15090.7 Ų90.765%0.65246%0.459SS*.THydrogen-bonded Turntrans-92.3-26.3175.4-62.8-178.6179.8176.60113.1Y633 D847Y633-K849 WeakPolarHBondContact CD1-O 3.47Å; Y633-K849 VanDerWaalsContact CE1-C 3.44Å; Y633-K849 HydrophobicContact CE1-CB 4.2Å; Y633-K849 WeakPolarHBondContact CE1-O 3.49Å; Y633-K849 HydrophobicContact CE2-CB 4.32Å; Y633-K849 WeakPolarHBondContact OH-CB 3.48Å; D847-K849 PolarHBondContact O-N 2.83Å
850V40.6Very low63.3Low34 Ų3489.7 Ų89.721%0.20645%0.454CS..  trans-96.3107.1-179.9-174.90000109.5H631 Y633 D847 S852H631-V850 VanDerWaalsContact CE1-CG1 3.45Å; H631-V850 WeakPolarHBondContact CE1-CG1 3.49Å; H631-V850 VanDerWaalsContact CE1-CG2 3.44Å; H631-V850 WeakPolarHBondContact CE1-CG2 3.4Å; Y633-V850 HydrophobicContact CE1-CG2 4.23Å; D847-V850 HydrophobicContact CB-CG2 4.35Å; D847-V850 PolarHBondContact O-N 2.76Å; V850-S852 PolarHBondContact O-N 2.78Å
851K36.2Very low63.8Low194 Ų19490.7 Ų90.784%0.84346%0.46SS*.  trans-68.368.5163.9-75.3-176.2179.3175.30109.7Q853K851-Q853 PolarHBondContact O-N 2.82Å
852S42.7Very low64.4Low46 Ų4688.3 Ų88.332%0.32246%0.457SS..  trans-69.8111162.360.10000106.3V850 P854V850-S852 PolarHBondContact O-N 2.78Å; S852-P854 VanDerWaalsContact O-CD 3.25Å; S852-P854 WeakPolarHBondContact O-CD 3.43Å; S852-P854 VanDerWaalsContact O-N 3.09Å
853Q47.5Very low65.5Low181 Ų18183.3 Ų83.385%0.84643%0.431SS*.  trans-58.8119.4171.7-74.5-166.52.400107.7K851 I855K851-Q853 PolarHBondContact O-N 2.82Å; Q853-I855 PolarHBondContact O-N 3.3Å
854P60.6Low66.8Low110 Ų11082.4 Ų82.471%0.71443%0.425SS*.  trans-57.3135.8-179.819.6-29.4000109.4S852 S856S852-P854 VanDerWaalsContact O-CD 3.25Å; S852-P854 WeakPolarHBondContact O-CD 3.43Å; S852-P854 VanDerWaalsContact O-N 3.09Å; P854-S856 PolarHBondContact O-N 2.83Å
855I79.8Confident68.2Low23 Ų2378.6 Ų78.612%0.11841%0.41CS..  trans-57.1113179-60.2-179.7000108F839 L840 S843 Q853 T859 K860 L955F839-I855 HydrophobicContact CD1-CD1 4.32Å; F839-I855 HydrophobicContact CE1-CD1 3.65Å; F839-I855 HydrophobicContact CZ-CD1 4.35Å; L840-I855 HydrophobicContact CD2-CD1 4.01Å; S843-I855 WeakPolarHBondContact OG-CD1 3.4Å; Q853-I855 PolarHBondContact O-N 3.3Å; I855-T859 HydrophobicContact CG2-CG2 3.71Å; I855-K860 HydrophobicContact CB-CG 4.43Å; I855-K860 HydrophobicContact CG2-CG 3.72Å; I855-K860 WeakPolarHBondContact O-CE 3.36Å; I855-L955 HydrophobicContact CD1-CD2 4.39Å
856S85.3Confident70.2Confident59 Ų5976.6 Ų76.641%0.41339%0.393SS..  trans-60.4149.5-178.368.60000111P854 K858 T859 K860P854-S856 PolarHBondContact O-N 2.83Å; S856-K858 PolarHBondContact O-N 3.49Å; S856-K858 VanDerWaalsContact O-N 3.15Å; S856-T859 WeakPolarHBondContact O-CA 3.4Å; S856-T859 WeakPolarHBondContact O-CB 3.49Å; S856-T859 PolarHBondContact O-N 3.45Å; S856-T859 PolarHBondContact OG-N 3.28Å; S856-T859 PolarHBondContact OG-OG1 3.03Å; S856-K860 PolarHBondContact O-N 2.85Å
857T86Confident72.8Confident58 Ų5867.1 Ų67.136%0.35635%0.352SS..Hα-helixtrans-51.5-39.3175.2-57.20000112T859 K860 V861 F953 P986T857-T859 VanDerWaalsContact C-N 3.32Å; T857-T859 PolarHBondContact O-N 3.46Å; T857-K860 PolarHBondContact O-N 3.2Å; T857-V861 WeakPolarHBondContact O-CG2 3.45Å; T857-V861 PolarHBondContact O-N 2.84Å; T857-F953 HydrophobicContact CG2-CE1 4.24Å; T857-P986 HydrophobicContact CG2-CG 3.44Å; T857-P986 VanDerWaalsContact CG2-CG 3.44Å
858K85.5Confident75.3Confident147 Ų14763 Ų6364%0.63933%0.33SS*.Hα-helixtrans-59.2-41.2174.7-174.2176.3-177.9175.10112.6S856 S862S856-K858 PolarHBondContact O-N 3.49Å; S856-K858 VanDerWaalsContact O-N 3.15Å; K858-S862 WeakPolarHBondContact O-CB 3.46Å; K858-S862 PolarHBondContact O-N 3.48Å
859T86.2Confident77.9Confident20 Ų2059.8 Ų59.812%0.12331%0.305CS..Hα-helixtrans-69.4-42.6177.1-53.20000110.9I855 S856 T857 V861 S862 I863 R895I855-T859 HydrophobicContact CG2-CG2 3.71Å; S856-T859 WeakPolarHBondContact O-CA 3.4Å; S856-T859 WeakPolarHBondContact O-CB 3.49Å; S856-T859 PolarHBondContact O-N 3.45Å; S856-T859 PolarHBondContact OG-N 3.28Å; S856-T859 PolarHBondContact OG-OG1 3.03Å; T857-T859 VanDerWaalsContact C-N 3.32Å; T857-T859 PolarHBondContact O-N 3.46Å; T859-V861 PolarHBondContact O-N 2.93Å; T859-S862 WeakPolarHBondContact O-CB 3.33Å; T859-S862 PolarHBondContact O-N 3.26Å; T859-S862 VanDerWaalsContact O-N 3.15Å; T859-I863 HydrophobicContact CG2-CD1 4.22Å; T859-I863 WeakPolarHBondContact O-CG1 3.28Å; T859-I863 PolarHBondContact O-N 3.03Å; T859-R895 PolarHBondContact OG1-NH1 2.81Å
860K90.9Very high80.4Confident21 Ų2152.6 Ų52.69%0.09127%0.274CS..Hα-helixtrans-57.9-46.1175.2-65.3-179176.2-173.90111.8I855 S856 T857 S862 I863 C864 V952 F953I855-K860 HydrophobicContact CB-CG 4.43Å; I855-K860 HydrophobicContact CG2-CG 3.72Å; I855-K860 WeakPolarHBondContact O-CE 3.36Å; S856-K860 PolarHBondContact O-N 2.85Å; T857-K860 PolarHBondContact O-N 3.2Å; K860-S862 VanDerWaalsContact C-N 3.35Å; K860-S862 PolarHBondContact O-N 3.15Å; K860-I863 PolarHBondContact O-N 3.39Å; K860-C864 PolarHBondContact O-N 3.11Å; K860-C864 VanDerWaalsContact O-N 3.09Å; K860-C864 PolarHBondContact O-SG 2.92Å; K860-V952 HydrophobicContact CB-CG1 3.89Å; K860-V952 HydrophobicContact CG-CG1 4.15Å; K860-F953 HydrophobicContact CB-CD2 4.43Å; K860-F953 HydrophobicContact CB-CE1 4.09Å; K860-F953 HydrophobicContact CB-CE2 3.95Å; K860-F953 HydrophobicContact CB-CZ 3.77Å; K860-F953 HydrophobicContact CD-CD1 3.92Å; K860-F953 HydrophobicContact CD-CE1 4.06Å; K860-F953 HydrophobicContact CD-CG 4.3Å; K860-F953 PolarHBondContact NZ-O 3.02Å; K860-F953 VanDerWaalsContact NZ-O 3.11Å
861V92Very high83.1Confident21 Ų2151 Ų5113%0.12726%0.264CS..Hα-helixtrans-62.7-41.4175174.70000111.4T857 T859 I863 C864 A865 F953 I989 L1014T857-V861 WeakPolarHBondContact O-CG2 3.45Å; T857-V861 PolarHBondContact O-N 2.84Å; T859-V861 PolarHBondContact O-N 2.93Å; V861-I863 PolarHBondContact O-N 2.81Å; V861-C864 PolarHBondContact O-N 3.16Å; V861-A865 WeakPolarHBondContact O-CB 3.46Å; V861-A865 PolarHBondContact O-N 3.39Å; V861-F953 HydrophobicContact CG2-CZ 3.95Å; V861-I989 HydrophobicContact CG2-CD1 3.98Å; V861-I989 HydrophobicContact CG2-CG1 4.24Å; V861-L1014 HydrophobicContact CG1-CD2 4.23Å
862S91.6Very high85.9Confident54 Ų5443.8 Ų43.838%0.37823%0.233SC..Hα-helixtrans-61.7-40.6176.7-177.90000112.7K858 T859 K860 A865 Q866K858-S862 WeakPolarHBondContact O-CB 3.46Å; K858-S862 PolarHBondContact O-N 3.48Å; T859-S862 WeakPolarHBondContact O-CB 3.33Å; T859-S862 PolarHBondContact O-N 3.26Å; T859-S862 VanDerWaalsContact O-N 3.15Å; K860-S862 VanDerWaalsContact C-N 3.35Å; K860-S862 PolarHBondContact O-N 3.15Å; S862-A865 PolarHBondContact O-N 3.26Å; S862-Q866 WeakPolarHBondContact O-CG 3.48Å; S862-Q866 PolarHBondContact O-N 3.36Å
863I92.9Very high88.3Confident2 Ų243 Ų431%0.0123%0.225CC..Hα-helixtrans-60.4-51.9174.5-69.8166.4000109.7L836 T859 K860 V861 A865 Q866 V867 I897 V952L836-I863 HydrophobicContact CD1-CD1 4.32Å; L836-I863 HydrophobicContact CD1-CG2 3.97Å; L836-I863 HydrophobicContact CD2-CG2 3.61Å; L836-I863 HydrophobicContact CG-CG2 4.44Å; T859-I863 HydrophobicContact CG2-CD1 4.22Å; T859-I863 WeakPolarHBondContact O-CG1 3.28Å; T859-I863 PolarHBondContact O-N 3.03Å; K860-I863 PolarHBondContact O-N 3.39Å; V861-I863 PolarHBondContact O-N 2.81Å; I863-A865 VanDerWaalsContact C-N 3.29Å; I863-A865 PolarHBondContact O-N 3.1Å; I863-Q866 PolarHBondContact O-N 3.08Å; I863-V867 WeakPolarHBondContact O-CG2 3.38Å; I863-V867 PolarHBondContact O-N 3.08Å; I863-I897 HydrophobicContact CB-CG1 4.45Å; I863-I897 HydrophobicContact CG1-CD1 4.27Å; I863-I897 HydrophobicContact CG1-CG1 4.3Å; I863-I897 HydrophobicContact CG2-CD1 4.33Å; I863-I897 HydrophobicContact CG2-CG1 4.17Å; I863-V952 HydrophobicContact CB-CG1 4.36Å; I863-V952 HydrophobicContact CG2-CG1 4.2Å; I863-V952 HydrophobicContact CG2-CG2 3.99Å
864C96.3Very high90.2Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-58.2-40.8177.9-62.60000112.1K860 V861 V867 A868 F945 M949 L1014K860-C864 PolarHBondContact O-N 3.11Å; K860-C864 VanDerWaalsContact O-N 3.09Å; K860-C864 PolarHBondContact O-SG 2.92Å; V861-C864 PolarHBondContact O-N 3.16Å; C864-V867 PolarHBondContact O-N 3.46Å; C864-A868 VanDerWaalsContact O-CB 3.31Å; C864-A868 WeakPolarHBondContact O-CB 3.25Å; C864-A868 PolarHBondContact O-N 2.88Å; C864-F945 HydrophobicContact CB-CZ 4.44Å; C864-F945 WeakPolarHBondContact O-CZ 3.29Å; C864-M949 HydrophobicContact CB-CG 4.21Å; C864-L1014 HydrophobicContact CB-CD1 4.11Å
865A94.9Very high91.5Very high9 Ų930.7 Ų30.77%0.07416%0.161CC..Hα-helixtrans-65.6-38.5178.900000112.5V861 S862 I863 A868 R869 L1014V861-A865 WeakPolarHBondContact O-CB 3.46Å; V861-A865 PolarHBondContact O-N 3.39Å; S862-A865 PolarHBondContact O-N 3.26Å; I863-A865 VanDerWaalsContact C-N 3.29Å; I863-A865 PolarHBondContact O-N 3.1Å; A865-A868 PolarHBondContact O-N 3.12Å; A865-R869 WeakPolarHBondContact O-CG 3.42Å; A865-R869 PolarHBondContact O-N 3.36Å; A865-L1014 HydrophobicContact CB-CB 4.12Å
866Q96.1Very high91.7Very high23 Ų2334.8 Ų34.811%0.10718%0.183CC..Hα-helixtrans-67-43.7176.3-73.7-176.575.700111.9N810 S862 I863 A868 R869 G870 R895 I897N810-Q866 VanDerWaalsContact CB-O 3.28Å; N810-Q866 WeakPolarHBondContact CB-O 3.29Å; N810-Q866 PolarHBondContact ND2-OE1 2.6Å; S862-Q866 WeakPolarHBondContact O-CG 3.48Å; S862-Q866 PolarHBondContact O-N 3.36Å; I863-Q866 PolarHBondContact O-N 3.08Å; Q866-A868 VanDerWaalsContact C-N 3.34Å; Q866-R869 PolarHBondContact O-N 3.22Å; Q866-G870 PolarHBondContact O-N 3.48Å; Q866-G870 VanDerWaalsContact O-N 3.09Å; Q866-R895 PolarHBondContact NE2-O 3.25Å; Q866-I897 HydrophobicContact CB-CB 3.91Å; Q866-I897 HydrophobicContact CB-CG1 4.17Å
867V96.8Very high91.6Very high0 Ų036.9 Ų36.90%019%0.186CC..Hα-helixtrans-62.3-43.3174.2177.50000110.6I863 C864 R869 G870 M871 L884 I897 V899 F945 L948I863-V867 WeakPolarHBondContact O-CG2 3.38Å; I863-V867 PolarHBondContact O-N 3.08Å; C864-V867 PolarHBondContact O-N 3.46Å; V867-R869 VanDerWaalsContact C-N 3.34Å; V867-R869 PolarHBondContact O-N 3.4Å; V867-G870 PolarHBondContact O-N 3.06Å; V867-G870 VanDerWaalsContact O-N 3.15Å; V867-M871 HydrophobicContact CG1-CG 4.4Å; V867-M871 PolarHBondContact O-N 3.44Å; V867-L884 HydrophobicContact CG1-CD1 4.31Å; V867-I897 HydrophobicContact CG2-CB 4.45Å; V867-I897 HydrophobicContact CG2-CG2 3.54Å; V867-V899 HydrophobicContact CG1-CG2 4.07Å; V867-F945 HydrophobicContact CB-CE2 4.02Å; V867-F945 HydrophobicContact CG1-CD2 3.94Å; V867-F945 HydrophobicContact CG1-CE2 3.78Å; V867-L948 HydrophobicContact CB-CD2 4.44Å; V867-L948 HydrophobicContact CG1-CD1 3.93Å; V867-L948 HydrophobicContact CG1-CD2 4.1Å; V867-L948 HydrophobicContact CG2-CD2 4.36Å
868A97.2Very high91.4Very high0 Ų045.3 Ų45.30%021%0.212CC..Hα-helixtrans-59.4-41.5177.500000112.4C864 A865 Q866 M871 E872 F945 I1010 V1011 L1014C864-A868 VanDerWaalsContact O-CB 3.31Å; C864-A868 WeakPolarHBondContact O-CB 3.25Å; C864-A868 PolarHBondContact O-N 2.88Å; A865-A868 PolarHBondContact O-N 3.12Å; Q866-A868 VanDerWaalsContact C-N 3.34Å; A868-M871 PolarHBondContact O-N 2.78Å; A868-E872 WeakPolarHBondContact O-CB 3.36Å; A868-E872 PolarHBondContact O-N 2.83Å; A868-F945 HydrophobicContact CB-CE1 4.5Å; A868-F945 HydrophobicContact CB-CE2 3.96Å; A868-F945 HydrophobicContact CB-CZ 3.7Å; A868-I1010 HydrophobicContact CB-CG2 3.87Å; A868-V1011 HydrophobicContact CB-CG2 3.7Å; A868-L1014 HydrophobicContact CB-CD1 4.11Å
869R96.3Very high91.2Very high103 Ų10339.3 Ų39.339%0.38919%0.185SC..Hα-helixtrans-65.3-38.8175-71.6174.3-172.7133.92.1112.5A865 Q866 V867 H873 V1011A865-R869 WeakPolarHBondContact O-CG 3.42Å; A865-R869 PolarHBondContact O-N 3.36Å; Q866-R869 PolarHBondContact O-N 3.22Å; V867-R869 VanDerWaalsContact C-N 3.34Å; V867-R869 PolarHBondContact O-N 3.4Å; R869-H873 PolarHBondContact O-N 3.37Å; R869-H873 VanDerWaalsContact O-N 3.12Å; R869-V1011 HydrophobicContact CG-CG1 4.06Å; R869-V1011 HydrophobicContact CG-CG2 4.01Å
870G94Very high91.3Very high0 Ų039.7 Ų39.70%019%0.188CC..Hα-helixtrans-60.9-47.7172.600000111.8Q866 V867 H873 L874Q866-G870 PolarHBondContact O-N 3.48Å; Q866-G870 VanDerWaalsContact O-N 3.09Å; V867-G870 PolarHBondContact O-N 3.06Å; V867-G870 VanDerWaalsContact O-N 3.15Å; G870-H873 WeakPolarHBondContact O-CB 3.29Å; G870-H873 PolarHBondContact O-N 3.06Å; G870-L874 WeakPolarHBondContact O-CG 3.02Å; G870-L874 PolarHBondContact O-N 3.03Å
871M95.9Very high91.1Very high0 Ų039.2 Ų39.20%019%0.186CC..Hα-helixtrans-70.4-31.2179.2-71.3-54.1-59.400114V867 A868 L874 S875 H881 L884 V899 D941 F1007V867-M871 HydrophobicContact CG1-CG 4.4Å; V867-M871 PolarHBondContact O-N 3.44Å; A868-M871 PolarHBondContact O-N 2.78Å; M871-L874 HydrophobicContact CE-CD1 4.45Å; M871-L874 PolarHBondContact O-N 3.35Å; M871-L874 HydrophobicContact SD-CD1 3.71Å; M871-S875 WeakPolarHBondContact O-CB 3.13Å; M871-S875 PolarHBondContact O-N 3.45Å; M871-H881 HydrophobicContact CE-CB 3.81Å; M871-H881 HydrophobicContact SD-CB 4.28Å; M871-L884 HydrophobicContact CE-CD2 4.04Å; M871-L884 HydrophobicContact CG-CD1 4.17Å; M871-L884 HydrophobicContact CG-CD2 3.73Å; M871-L884 HydrophobicContact SD-CD1 3.82Å; M871-L884 HydrophobicContact SD-CD2 3.9Å; M871-L884 HydrophobicContact SD-CG 4.4Å; M871-V899 HydrophobicContact CG-CG2 4.42Å; M871-V899 HydrophobicContact SD-CG1 3.86Å; M871-V899 HydrophobicContact SD-CG2 4.48Å; M871-D941 HydrophobicContact CE-CB 3.78Å; M871-D941 WeakPolarHBondContact CE-OD2 3.49Å; M871-F1007 HydrophobicContact CB-CD1 3.48Å; M871-F1007 VanDerWaalsContact CB-CD1 3.48Å; M871-F1007 HydrophobicContact CB-CD2 4.03Å; M871-F1007 HydrophobicContact CB-CE1 3.29Å; M871-F1007 HydrophobicContact CB-CE2 3.86Å; M871-F1007 HydrophobicContact CB-CG 3.86Å; M871-F1007 HydrophobicContact CB-CZ 3.5Å; M871-F1007 HydrophobicContact CE-CE2 3.95Å; M871-F1007 HydrophobicContact CE-CZ 3.87Å; M871-F1007 HydrophobicContact CG-CD1 4.49Å; M871-F1007 HydrophobicContact CG-CE1 3.86Å; M871-F1007 HydrophobicContact CG-CZ 3.91Å
872E95.7Very high90.9Very high42 Ų4243.5 Ų43.520%0.19620%0.2CC..Hα-helixtrans-60.6-47.8169.6179.4-179.4-132.200110.6A868 L874 S875 N876 F1007 T1008 V1011A868-E872 WeakPolarHBondContact O-CB 3.36Å; A868-E872 PolarHBondContact O-N 2.83Å; E872-L874 VanDerWaalsContact C-N 3.35Å; E872-L874 PolarHBondContact O-N 2.95Å; E872-S875 PolarHBondContact O-N 3.11Å; E872-N876 WeakPolarHBondContact O-CB 3.2Å; E872-N876 VanDerWaalsContact O-CG 3.25Å; E872-N876 PolarHBondContact O-N 3.1Å; E872-N876 PolarHBondContact O-ND2 3.13Å; E872-F1007 HydrophobicContact CB-CB 3.91Å; E872-T1008 WeakPolarHBondContact OE1-CA 3.02Å; E872-T1008 VanDerWaalsContact OE1-CB 3.24Å; E872-T1008 WeakPolarHBondContact OE1-CB 3.47Å; E872-T1008 WeakPolarHBondContact OE1-CG2 3.4Å; E872-T1008 PolarHBondContact OE1-OG1 2.65Å; E872-V1011 HydrophobicContact CB-CG2 4.26Å
873H92.6Very high90.8Very high31 Ų3141.7 Ų41.714%0.14419%0.186CC..Hα-helixtrans-59.3-45.9176.4-178.683.1000111.6S807 H808 R869 G870 N876 H877S807-H873 PolarHBondContact O-CE1 2.98Å; H808-H873 HydrophobicContact CB-CB 4.28Å; H808-H873 AromaticContact CD2-CG 3.87Å; H808-H873 AromaticContact CD2-ND1 3.78Å; H808-H873 AromaticContact CG-CG 3.79Å; R869-H873 PolarHBondContact O-N 3.37Å; R869-H873 VanDerWaalsContact O-N 3.12Å; G870-H873 WeakPolarHBondContact O-CB 3.29Å; G870-H873 PolarHBondContact O-N 3.06Å; H873-N876 PolarHBondContact O-N 3.07Å; H873-H877 AromaticContact CE1-CE1 3.29Å; H873-H877 PolarHBondContact CE1-CE1 3.23Å; H873-H877 AromaticContact CE1-ND1 3.77Å; H873-H877 AromaticContact ND1-CE1 3.67Å; H873-H877 AromaticContact ND1-ND1 3.95Å; H873-H877 AromaticContact NE2-CE1 3.71Å; H873-H877 AromaticContact NE2-ND1 3.84Å; H873-H877 PolarHBondContact O-N 3.18Å; H873-H877 PolarHBondContact O-ND1 2.85Å
874L88.4Confident90.8Very high2 Ų241.6 Ų41.61%0.0119%0.185CC..Hα-helixtrans-61.6-47.7176.7-69.6178.1000112.2L806 V811 G870 M871 E872 N876 H877 R878 F879 V899L806-L874 HydrophobicContact CD1-CD2 3.45Å; L806-L874 VanDerWaalsContact CD1-CD2 3.45Å; L806-L874 HydrophobicContact CD2-CD2 4.09Å; L806-L874 HydrophobicContact CG-CD2 4.39Å; V811-L874 HydrophobicContact CG1-CD2 4.06Å; V811-L874 HydrophobicContact CG2-CD2 4.29Å; V811-L874 HydrophobicContact CG2-CG 4.11Å; G870-L874 WeakPolarHBondContact O-CG 3.02Å; G870-L874 PolarHBondContact O-N 3.03Å; M871-L874 HydrophobicContact CE-CD1 4.45Å; M871-L874 PolarHBondContact O-N 3.35Å; M871-L874 HydrophobicContact SD-CD1 3.71Å; E872-L874 VanDerWaalsContact C-N 3.35Å; E872-L874 PolarHBondContact O-N 2.95Å; L874-N876 VanDerWaalsContact C-N 3.32Å; L874-N876 PolarHBondContact O-N 2.86Å; L874-H877 CarbonylContact O-C 3.58Å; L874-H877 PolarHBondContact O-N 3.48Å; L874-R878 PolarHBondContact O-N 3.27Å; L874-F879 HydrophobicContact CB-CB 4.16Å; L874-F879 HydrophobicContact CB-CD1 3.93Å; L874-F879 HydrophobicContact CB-CG 4.48Å; L874-F879 HydrophobicContact CD1-CD1 3.87Å; L874-F879 HydrophobicContact CD1-CE1 4.09Å; L874-F879 HydrophobicContact CD2-CB 4.24Å; L874-F879 HydrophobicContact CD2-CD1 3.7Å; L874-F879 HydrophobicContact CD2-CE1 4.27Å; L874-F879 HydrophobicContact CD2-CG 4.08Å; L874-F879 HydrophobicContact CG-CD1 4.03Å; L874-F879 WeakPolarHBondContact O-CB 3.39Å; L874-F879 PolarHBondContact O-N 3.09Å; L874-V899 HydrophobicContact CD1-CB 4.5Å; L874-V899 HydrophobicContact CD1-CG1 3.91Å
875S87.4Confident90.7Very high29 Ų2941.6 Ų41.620%0.20319%0.185CC..Hα-helixtrans-57.8-43.2177.2175.50000111.9M871 E872 H877 R878 T938M871-S875 WeakPolarHBondContact O-CB 3.13Å; M871-S875 PolarHBondContact O-N 3.45Å; E872-S875 PolarHBondContact O-N 3.11Å; S875-H877 PolarHBondContact O-N 2.9Å; S875-R878 PolarHBondContact O-N 3.42Å; S875-T938 WeakPolarHBondContact OG-CG2 3.24Å
876N83.9Confident90.5Very high109 Ų10941.2 Ų41.258%0.58318%0.182SC*.Hα-helixtrans-66-25178.2-72.1-19.1000113E872 H873 L874 R878E872-N876 WeakPolarHBondContact O-CB 3.2Å; E872-N876 VanDerWaalsContact O-CG 3.25Å; E872-N876 PolarHBondContact O-N 3.1Å; E872-N876 PolarHBondContact O-ND2 3.13Å; H873-N876 PolarHBondContact O-N 3.07Å; L874-N876 VanDerWaalsContact C-N 3.32Å; L874-N876 PolarHBondContact O-N 2.86Å; N876-R878 VanDerWaalsContact C-N 3.31Å
877H83.8Confident90.1Very high104 Ų10440.3 Ų40.348%0.48118%0.177SC..THydrogen-bonded Turntrans-92.413.3173.2-68.178.8000113.1L806 H873 L874 S875 F879L806-H877 HydrophobicContact CD2-CB 4.06Å; H873-H877 AromaticContact CE1-CE1 3.29Å; H873-H877 PolarHBondContact CE1-CE1 3.23Å; H873-H877 AromaticContact CE1-ND1 3.77Å; H873-H877 AromaticContact ND1-CE1 3.67Å; H873-H877 AromaticContact ND1-ND1 3.95Å; H873-H877 AromaticContact NE2-CE1 3.71Å; H873-H877 AromaticContact NE2-ND1 3.84Å; H873-H877 PolarHBondContact O-N 3.18Å; H873-H877 PolarHBondContact O-ND1 2.85Å; L874-H877 CarbonylContact O-C 3.58Å; L874-H877 PolarHBondContact O-N 3.48Å; S875-H877 PolarHBondContact O-N 2.9Å; H877-F879 PolarHBondContact O-N 3.13Å
878R80.6Confident89.7Confident235 Ų23540.4 Ų40.489%0.88718%0.178SC*.THydrogen-bonded Turntrans57.630.5-178.3-52.8-177.6-175.2-170.50.8113.4L874 S875 N876L874-R878 PolarHBondContact O-N 3.27Å; S875-R878 PolarHBondContact O-N 3.42Å; N876-R878 VanDerWaalsContact C-N 3.31Å
879F82.8Confident89.4Confident20 Ų2040.4 Ų40.49%0.08818%0.178CC..  trans-92.2130.8173.8-177-93.4000110.1M802 F803 L874 H877 H881M802-F879 HydrophobicContact CB-CD2 4.43Å; M802-F879 HydrophobicContact CB-CE2 4.41Å; M802-F879 HydrophobicContact CE-CD2 4.12Å; M802-F879 HydrophobicContact CE-CE2 3.52Å; M802-F879 HydrophobicContact CG-CD2 4.49Å; M802-F879 HydrophobicContact SD-CD2 3.57Å; M802-F879 VanDerWaalsContact SD-CD2 3.57Å; M802-F879 HydrophobicContact SD-CE2 3.63Å; F803-F879 HydrophobicContact CE2-CZ 4.25Å; L874-F879 HydrophobicContact CB-CB 4.16Å; L874-F879 HydrophobicContact CB-CD1 3.93Å; L874-F879 HydrophobicContact CB-CG 4.48Å; L874-F879 HydrophobicContact CD1-CD1 3.87Å; L874-F879 HydrophobicContact CD1-CE1 4.09Å; L874-F879 HydrophobicContact CD2-CB 4.24Å; L874-F879 HydrophobicContact CD2-CD1 3.7Å; L874-F879 HydrophobicContact CD2-CE1 4.27Å; L874-F879 HydrophobicContact CD2-CG 4.08Å; L874-F879 HydrophobicContact CG-CD1 4.03Å; L874-F879 WeakPolarHBondContact O-CB 3.39Å; L874-F879 PolarHBondContact O-N 3.09Å; H877-F879 PolarHBondContact O-N 3.13Å; F879-H881 HydrophobicContact CE1-CB 4.1Å
880V86.6Confident89Confident29 Ų2935.9 Ų35.918%0.17616%0.162CC..  trans-111.2122.2173.4-174.80000107.6R882 S937 T938 D941V880-R882 HydrophobicContact CB-CG 4.41Å; V880-R882 HydrophobicContact CG1-CG 3.9Å; V880-S937 WeakPolarHBondContact CG1-O 3.23Å; V880-T938 HydrophobicContact CG2-CG2 4.39Å; V880-D941 WeakPolarHBondContact CA-OD2 3.35Å
881H87.6Confident88.5Confident10 Ų1035.9 Ų35.95%0.04616%0.162CC..  trans-76.3-36.7-172.7-169.6-44.8000112.9M871 F879 D883 L884 V899 S900 D941M871-H881 HydrophobicContact CE-CB 3.81Å; M871-H881 HydrophobicContact SD-CB 4.28Å; F879-H881 HydrophobicContact CE1-CB 4.1Å; H881-D883 PolarHBondContact CE1-O 3.12Å; H881-D883 VanDerWaalsContact CE1-O 3.32Å; H881-D883 PolarHBondContact O-N 2.94Å; H881-L884 HydrophobicContact CB-CB 4.43Å; H881-V899 WeakPolarHBondContact CD2-CG1 3.23Å; H881-V899 WeakPolarHBondContact NE2-CG1 3.2Å; H881-S900 PolarHBondContact CE1-O 3.02Å; H881-S900 VanDerWaalsContact CE1-O 3.27Å; H881-S900 PolarHBondContact NE2-O 2.79Å; H881-D941 PolarHBondContact N-OD1 3.22Å; H881-D941 PolarHBondContact N-OD2 3.06Å
882R87.7Confident87.6Confident112 Ų11237 Ų3742%0.42317%0.167SC..SBendtrans67.3-16.3174.1-48.6-178178.4-157.1-8.6117V880 Y936 D941V880-R882 HydrophobicContact CB-CG 4.41Å; V880-R882 HydrophobicContact CG1-CG 3.9Å; R882-Y936 HydrophobicContact CB-CD1 3.64Å; R882-Y936 HydrophobicContact CB-CE1 3.8Å; R882-Y936 HydrophobicContact CB-CG 4.39Å; R882-Y936 HydrophobicContact CG-CD1 3.58Å; R882-Y936 HydrophobicContact CG-CE1 4.21Å; R882-Y936 HydrophobicContact CG-CG 3.88Å; R882-D941 PolarHBondContact N-OD1 3.36Å
883D89.1Confident86.4Confident16 Ų1637 Ų379%0.08617%0.172CC..  trans-14145.6177.6-170.418.7000110.1H881 A885 R887 N888 S903 Y913 P922H881-D883 PolarHBondContact CE1-O 3.12Å; H881-D883 VanDerWaalsContact CE1-O 3.32Å; H881-D883 PolarHBondContact O-N 2.94Å; D883-A885 PolarHBondContact O-N 3.09Å; D883-R887 IonicContact OD1-CZ 3.17Å; D883-R887 IonicContact OD1-NE 3.65Å; D883-R887 IonicContact OD1-NH2 2.7Å; D883-R887 PolarHBondContact OD1-NH2 2.99Å; D883-N888 PolarHBondContact O-ND2 3.48Å; D883-N888 PolarHBondContact OD2-ND2 2.98Å; D883-S903 PolarHBondContact OD2-OG 3.46Å; D883-S903 VanDerWaalsContact OD2-OG 3.07Å; D883-Y913 PolarHBondContact OD2-OH 3.3Å; D883-P922 HydrophobicContact CB-CG 4.4Å; D883-P922 WeakPolarHBondContact OD1-CB 3.39Å; D883-P922 WeakPolarHBondContact OD1-CG 3.49Å
884L93.4Very high85.5Confident0 Ų042.1 Ų42.10%020%0.196CC..  trans-74.4113.2178.1-178.866.2000110.2V867 M871 H881 V899 A944 F945 L948 F1007V867-L884 HydrophobicContact CG1-CD1 4.31Å; M871-L884 HydrophobicContact CE-CD2 4.04Å; M871-L884 HydrophobicContact CG-CD1 4.17Å; M871-L884 HydrophobicContact CG-CD2 3.73Å; M871-L884 HydrophobicContact SD-CD1 3.82Å; M871-L884 HydrophobicContact SD-CD2 3.9Å; M871-L884 HydrophobicContact SD-CG 4.4Å; H881-L884 HydrophobicContact CB-CB 4.43Å; L884-V899 HydrophobicContact CD1-CG1 4.26Å; L884-A944 HydrophobicContact CB-CB 4.01Å; L884-F945 HydrophobicContact CD2-CB 3.72Å; L884-F945 HydrophobicContact CD2-CD2 4.16Å; L884-F945 HydrophobicContact CD2-CG 4.45Å; L884-L948 HydrophobicContact CD1-CD1 3.88Å; L884-L948 HydrophobicContact CG-CD1 3.94Å; L884-F1007 HydrophobicContact CD2-CZ 4.46Å
885A93.1Very high84.9Confident0 Ų048.4 Ų48.40%022%0.22CC..SBendtrans-153.2165.8178.600000110.1D883 R887 N888 W925D883-A885 PolarHBondContact O-N 3.09Å; A885-R887 HydrophobicContact CB-CG 3.97Å; A885-R887 PolarHBondContact O-N 3.09Å; A885-N888 PolarHBondContact O-N 3.45Å; A885-W925 HydrophobicContact CB-CD2 4.42Å; A885-W925 HydrophobicContact CB-CG 4.27Å
886A90.7Very high84.8Confident0 Ų053 Ų530%023%0.232CC..G310 helixtrans-57.6-33.7178.800000112.8L836 K837 L840 N888 C889 E951L836-A886 WeakPolarHBondContact CB-O 3.2Å; L836-A886 HydrophobicContact CG-CB 4.49Å; K837-A886 HydrophobicContact CB-CB 3.93Å; K837-A886 PolarHBondContact N-O 3.45Å; L840-A886 HydrophobicContact CD1-CB 4.29Å; A886-N888 PolarHBondContact O-N 3.12Å; A886-C889 PolarHBondContact O-N 2.91Å; A886-E951 HydrophobicContact CB-CB 4.17Å; A886-E951 PolarHBondContact N-OE2 3.2Å
887R88.1Confident85.1Confident4 Ų447.8 Ų47.82%0.01521%0.205CC..G310 helixtrans-64-19.9176.362.8177.7175.6-80.6-13114.4D835 K837 D883 A885 Y909 E912 Y913 P922D835-R887 WeakPolarHBondContact CB-O 3.45Å; K837-R887 HydrophobicContact CB-CB 4.31Å; K837-R887 HydrophobicContact CD-CB 4.21Å; D883-R887 IonicContact OD1-CZ 3.17Å; D883-R887 IonicContact OD1-NE 3.65Å; D883-R887 IonicContact OD1-NH2 2.7Å; D883-R887 PolarHBondContact OD1-NH2 2.99Å; A885-R887 HydrophobicContact CB-CG 3.97Å; A885-R887 PolarHBondContact O-N 3.09Å; R887-Y909 HydrophobicContact CB-CD2 4.17Å; R887-Y909 HydrophobicContact CB-CE2 4.02Å; R887-E912 IonicContact CZ-OE2 3.49Å; R887-E912 IonicContact NE-OE2 2.83Å; R887-E912 IonicContact NH1-OE2 3.27Å; R887-E912 PolarHBondContact NH1-OE2 2.78Å; R887-Y913 PolarHBondContact NE-OH 3.24Å; R887-P922 VanDerWaalsContact NH2-CB 3.3Å
888N89.4Confident85.5Confident2 Ų243.9 Ų43.91%0.01119%0.186CC..G310 helixtrans-105.713.5179.9-70-20.4000112.2D883 A885 A886 S900 L902 S903D883-N888 PolarHBondContact O-ND2 3.48Å; D883-N888 PolarHBondContact OD2-ND2 2.98Å; A885-N888 PolarHBondContact O-N 3.45Å; A886-N888 PolarHBondContact O-N 3.12Å; N888-S900 WeakPolarHBondContact O-CB 3.37Å; N888-S900 PolarHBondContact O-N 2.87Å; N888-S900 VanDerWaalsContact O-O 3.08Å; N888-L902 PolarHBondContact OD1-O 2.88Å; N888-S903 WeakPolarHBondContact OD1-CA 3.34Å
889C90.9Very high86Confident0 Ų032.7 Ų32.70%014%0.144CC..EExtended strand (participates in β ladder)trans-110.3132.4168.8-67.80000109.1D835 L836 A886 I897 K898D835-C889 CarbonylContact C-O 3.53Å; D835-C889 WeakPolarHBondContact CA-O 3.39Å; L836-C889 HydrophobicContact CB-CB 3.93Å; L836-C889 WeakPolarHBondContact CB-O 3.33Å; L836-C889 HydrophobicContact CD2-CB 3.93Å; L836-C889 PolarHBondContact N-O 2.9Å; A886-C889 PolarHBondContact O-N 2.91Å; C889-I897 HydrophobicContact CB-CG2 4.04Å; C889-K898 CarbonylContact C-O 3.53Å; C889-K898 WeakPolarHBondContact CA-O 3.4Å
890L87.4Confident86.1Confident9 Ų931.8 Ų31.85%0.04714%0.141CC..EExtended strand (participates in β ladder)trans-97.2143.3177.4-66.1179.9000110.7V812 Y831 G834 I897 K898 L904V812-L890 HydrophobicContact CG2-CD1 3.77Å; V812-L890 HydrophobicContact CG2-CG 4.48Å; Y831-L890 HydrophobicContact CD1-CB 3.99Å; Y831-L890 HydrophobicContact CG-CB 3.92Å; Y831-L890 HydrophobicContact CG-CD1 4.49Å; G834-L890 WeakPolarHBondContact O-CA 3.39Å; G834-L890 WeakPolarHBondContact O-CD2 3.41Å; L890-I897 CarbonylContact O-C 3.5Å; L890-I897 VanDerWaalsContact O-CA 3.3Å; L890-I897 WeakPolarHBondContact O-CA 3.43Å; L890-K898 PolarHBondContact N-O 3.14Å; L890-K898 PolarHBondContact O-N 2.84Å; L890-L904 HydrophobicContact CD1-CD1 4.27Å; L890-L904 HydrophobicContact CD2-CD1 3.53Å; L890-L904 HydrophobicContact CG-CD1 4.11Å
891I82.4Confident85.2Confident0 Ų031.1 Ų31.10%014%0.137CC..EExtended strand (participates in β ladder)trans-125.7145.5177.4-177.5170.2000110.4L833 G834 L836 F839 R896 I897L833-I891 HydrophobicContact CB-CG2 3.94Å; L833-I891 WeakPolarHBondContact CB-O 3.29Å; L833-I891 HydrophobicContact CD1-CG1 4.38Å; L833-I891 PolarHBondContact N-O 3.23Å; G834-I891 PolarHBondContact O-N 3.48Å; L836-I891 HydrophobicContact CD1-CD1 4.36Å; F839-I891 HydrophobicContact CB-CG2 3.86Å; F839-I891 HydrophobicContact CD1-CD1 3.72Å; F839-I891 HydrophobicContact CD2-CD1 4.22Å; F839-I891 HydrophobicContact CD2-CG2 4.44Å; F839-I891 HydrophobicContact CE1-CD1 3.67Å; F839-I891 HydrophobicContact CE2-CD1 4.18Å; F839-I891 HydrophobicContact CG-CD1 4Å; F839-I891 HydrophobicContact CG-CG2 4.05Å; F839-I891 HydrophobicContact CZ-CD1 3.92Å; I891-R896 WeakPolarHBondContact CA-O 3.45Å; I891-I897 HydrophobicContact CB-CD1 3.64Å; I891-I897 HydrophobicContact CD1-CD1 3.65Å; I891-I897 HydrophobicContact CG1-CD1 3.57Å
892N78.5Confident83.6Confident22 Ų2231.1 Ų31.112%0.11814%0.137CC..  trans-116.3172.417376.42.5000112.2Y831 D832 L833 Q894 R895 R896Y831-N892 HydrophobicContact CD1-CB 3.67Å; Y831-N892 HydrophobicContact CE1-CB 3.88Å; Y831-N892 HydrophobicContact CG-CB 4.37Å; D832-N892 WeakPolarHBondContact OD1-CA 3.14Å; D832-N892 WeakPolarHBondContact OD1-CB 3.42Å; L833-N892 VanDerWaalsContact CD1-C 3.49Å; L833-N892 WeakPolarHBondContact CD1-O 3.41Å; N892-Q894 PolarHBondContact O-N 2.71Å; N892-Q894 WeakPolarHBondContact OD1-CA 3.48Å; N892-Q894 WeakPolarHBondContact OD1-CB 3.49Å; N892-Q894 PolarHBondContact OD1-N 2.84Å; N892-R895 WeakPolarHBondContact O-CA 3.42Å; N892-R895 PolarHBondContact O-N 2.84Å; N892-R895 PolarHBondContact OD1-N 3.43Å; N892-R896 PolarHBondContact N-O 2.98Å; N892-R896 WeakPolarHBondContact OD1-CB 3.33Å; N892-R896 PolarHBondContact OD1-N 2.92Å
893S70.5Confident82.2Confident42 Ų4226.2 Ų26.229%0.29412%0.12SC..THydrogen-bonded Turntrans-60.5-14.9-179.554.70000115.3K584 D832 R895K584-S893 VanDerWaalsContact CE-OG 3.23Å; K584-S893 WeakPolarHBondContact CE-OG 3.31Å; D832-S893 PolarHBondContact OD1-N 2.97Å; D832-S893 VanDerWaalsContact OD2-CB 3.24Å; D832-S893 WeakPolarHBondContact OD2-CB 3.32Å; D832-S893 PolarHBondContact OD2-OG 3.17Å; S893-R895 VanDerWaalsContact C-N 3.33Å
894Q72.9Confident80.5Confident140 Ų14026.3 Ų26.365%0.65412%0.12SC*.THydrogen-bonded Turntrans-91.37.8172.5-62.2172.7-8.200113N892 R896N892-Q894 PolarHBondContact O-N 2.71Å; N892-Q894 WeakPolarHBondContact OD1-CA 3.48Å; N892-Q894 WeakPolarHBondContact OD1-CB 3.49Å; N892-Q894 PolarHBondContact OD1-N 2.84Å; Q894-R896 HydrophobicContact CB-CG 4.12Å; Q894-R896 PolarHBondContact O-N 2.82Å
895R77Confident78.8Confident133 Ų13327.2 Ų27.250%0.50213%0.127SC..  trans57.727.9-174-52.3-179.1-178.1-174.70.2113.3T859 Q866 N892 S893T859-R895 PolarHBondContact OG1-NH1 2.81Å; Q866-R895 PolarHBondContact NE2-O 3.25Å; N892-R895 WeakPolarHBondContact O-CA 3.42Å; N892-R895 PolarHBondContact O-N 2.84Å; N892-R895 PolarHBondContact OD1-N 3.43Å; S893-R895 VanDerWaalsContact C-N 3.33Å
896R83.4Confident77.1Confident125 Ų12529.3 Ų29.347%0.47214%0.136SC..  trans-81.3131.4170.6-60.1-173.1114.4-165.24.2108.7I891 N892 Q894I891-R896 WeakPolarHBondContact CA-O 3.45Å; N892-R896 PolarHBondContact N-O 2.98Å; N892-R896 WeakPolarHBondContact OD1-CB 3.33Å; N892-R896 PolarHBondContact OD1-N 2.92Å; Q894-R896 HydrophobicContact CB-CG 4.12Å; Q894-R896 PolarHBondContact O-N 2.82Å
897I90.9Very high75.7Confident0 Ų033.3 Ų33.30%016%0.157CC..EExtended strand (participates in β ladder)trans-107.1134.5-178.3-49.1-61.7000110.1N810 L836 I863 Q866 V867 C889 L890 I891N810-I897 WeakPolarHBondContact CA-O 3.4Å; N810-I897 PolarHBondContact ND2-O 3.29Å; L836-I897 HydrophobicContact CD1-CD1 4.18Å; I863-I897 HydrophobicContact CB-CG1 4.45Å; I863-I897 HydrophobicContact CG1-CD1 4.27Å; I863-I897 HydrophobicContact CG1-CG1 4.3Å; I863-I897 HydrophobicContact CG2-CD1 4.33Å; I863-I897 HydrophobicContact CG2-CG1 4.17Å; Q866-I897 HydrophobicContact CB-CB 3.91Å; Q866-I897 HydrophobicContact CB-CG1 4.17Å; V867-I897 HydrophobicContact CG2-CB 4.45Å; V867-I897 HydrophobicContact CG2-CG2 3.54Å; C889-I897 HydrophobicContact CB-CG2 4.04Å; L890-I897 CarbonylContact O-C 3.5Å; L890-I897 VanDerWaalsContact O-CA 3.3Å; L890-I897 WeakPolarHBondContact O-CA 3.43Å; I891-I897 HydrophobicContact CB-CD1 3.64Å; I891-I897 HydrophobicContact CD1-CD1 3.65Å; I891-I897 HydrophobicContact CG1-CD1 3.57Å
898K92.3Very high74.4Confident22 Ų2236.7 Ų36.710%0.09618%0.178CC..EExtended strand (participates in β ladder)trans-125.1133.9170.6-73.8-165.3171.41720111.7P809 N810 V811 V812 E829 Y831 C889 L890P809-K898 WeakPolarHBondContact O-CE 3.49Å; P809-K898 WeakPolarHBondContact O-CG 3.27Å; N810-K898 WeakPolarHBondContact O-CA 3.43Å; V811-K898 WeakPolarHBondContact O-CD 3.43Å; V812-K898 HydrophobicContact CG2-CB 3.8Å; E829-K898 WeakPolarHBondContact OE1-CD 2.98Å; E829-K898 WeakPolarHBondContact OE1-CE 3.48Å; E829-K898 IonicContact OE1-NZ 3.1Å; E829-K898 PolarHBondContact OE1-NZ 3.33Å; E829-K898 IonicContact OE2-NZ 3.3Å; E829-K898 PolarHBondContact OE2-NZ 3.39Å; Y831-K898 HydrophobicContact CE1-CB 4.32Å; Y831-K898 HydrophobicContact CE1-CD 4.24Å; Y831-K898 HydrophobicContact CE1-CG 3.99Å; Y831-K898 HydrophobicContact CE2-CD 3.61Å; Y831-K898 HydrophobicContact CE2-CG 4.25Å; Y831-K898 WeakPolarHBondContact OH-CD 3.02Å; Y831-K898 WeakPolarHBondContact OH-CE 3.47Å; Y831-K898 WeakPolarHBondContact OH-CG 3.46Å; Y831-K898 PolarHBondContact OH-NZ 2.89Å; C889-K898 CarbonylContact C-O 3.53Å; C889-K898 WeakPolarHBondContact CA-O 3.4Å; L890-K898 PolarHBondContact N-O 3.14Å; L890-K898 PolarHBondContact O-N 2.84Å
899V91.7Very high73.5Confident1 Ų137.7 Ų37.71%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-75.9126.2172.7-178.10000109N810 V812 V867 M871 L874 H881 L884N810-V899 PolarHBondContact O-N 2.81Å; V812-V899 PolarHBondContact N-O 3.42Å; V867-V899 HydrophobicContact CG1-CG2 4.07Å; M871-V899 HydrophobicContact CG-CG2 4.42Å; M871-V899 HydrophobicContact SD-CG1 3.86Å; M871-V899 HydrophobicContact SD-CG2 4.48Å; L874-V899 HydrophobicContact CD1-CB 4.5Å; L874-V899 HydrophobicContact CD1-CG1 3.91Å; H881-V899 WeakPolarHBondContact CD2-CG1 3.23Å; H881-V899 WeakPolarHBondContact NE2-CG1 3.2Å; L884-V899 HydrophobicContact CD1-CG1 4.26Å
900S85.4Confident72.7Confident1 Ų142.1 Ų42.11%0.00721%0.206CC..  trans-112.5131.6176.5169.90000108.7H881 N888 L902H881-S900 PolarHBondContact CE1-O 3.02Å; H881-S900 VanDerWaalsContact CE1-O 3.27Å; H881-S900 PolarHBondContact NE2-O 2.79Å; N888-S900 WeakPolarHBondContact O-CB 3.37Å; N888-S900 PolarHBondContact O-N 2.87Å; N888-S900 VanDerWaalsContact O-O 3.08Å; S900-L902 PolarHBondContact O-N 2.82Å; S900-L902 VanDerWaalsContact O-N 3.11Å
901S66Low72.2Confident15 Ų1546.1 Ų46.111%0.10524%0.235CC..SBendtrans-70.4-5.4-179.552.30000115.5E799 F803E799-S901 WeakPolarHBondContact OE1-CB 3.33Å; E799-S901 PolarHBondContact OE1-OG 3.04Å; F803-S901 WeakPolarHBondContact CE2-OG 2.98Å; F803-S901 WeakPolarHBondContact CZ-OG 3.05Å
902L55Low72.1Confident9 Ų946.7 Ų46.75%0.04724%0.237CC..SBendtrans-125.2128.5-157.6-77.3143.7000110F760 K783 E799 M826 L828 N888 S900 L904F760-L902 HydrophobicContact CD2-CD2 3.97Å; F760-L902 HydrophobicContact CE2-CD2 3.58Å; K783-L902 HydrophobicContact CD-CB 4.06Å; K783-L902 HydrophobicContact CD-CD1 3.44Å; K783-L902 VanDerWaalsContact CD-CD1 3.44Å; K783-L902 HydrophobicContact CD-CD2 3.84Å; K783-L902 HydrophobicContact CD-CG 3.91Å; E799-L902 VanDerWaalsContact CD-CD2 3.44Å; E799-L902 HydrophobicContact CG-CD1 4.42Å; E799-L902 VanDerWaalsContact OE1-CD1 3.27Å; E799-L902 WeakPolarHBondContact OE1-CD1 3.45Å; E799-L902 VanDerWaalsContact OE1-CD2 3.24Å; E799-L902 WeakPolarHBondContact OE1-CD2 3.38Å; E799-L902 WeakPolarHBondContact OE1-CG 3.45Å; E799-L902 WeakPolarHBondContact OE2-CD2 3.42Å; M826-L902 HydrophobicContact SD-CD1 4.08Å; L828-L902 HydrophobicContact CD1-CD1 3.99Å; N888-L902 PolarHBondContact OD1-O 2.88Å; S900-L902 PolarHBondContact O-N 2.82Å; S900-L902 VanDerWaalsContact O-N 3.11Å; L902-L904 WeakPolarHBondContact O-CG 3.29Å; L902-L904 PolarHBondContact O-N 3.27Å
903S58.8Low72.3Confident9 Ų946.3 Ų46.36%0.06323%0.234CC..  trans-58.683.4160.7-36.20000108.5G758 D883 N888 S905 K906 Y913G758-S903 WeakPolarHBondContact CA-O 3.01Å; D883-S903 PolarHBondContact OD2-OG 3.46Å; D883-S903 VanDerWaalsContact OD2-OG 3.07Å; N888-S903 WeakPolarHBondContact OD1-CA 3.34Å; S903-S905 PolarHBondContact O-N 3.42Å; S903-K906 WeakPolarHBondContact OG-CE 3.38Å; S903-Y913 PolarHBondContact OG-OH 2.91Å
904L53.5Low72.9Confident18 Ų1846.3 Ų46.39%0.09423%0.228CC..THydrogen-bonded Turntrans-56-24.4-173.3-75.9154.3000111.8V763 L781 K783 L890 L902V763-L904 VanDerWaalsContact CB-O 3.27Å; V763-L904 WeakPolarHBondContact CB-O 3.38Å; V763-L904 HydrophobicContact CG1-CD2 4.36Å; V763-L904 WeakPolarHBondContact CG2-O 3.48Å; L781-L904 HydrophobicContact CD1-CD2 3.71Å; L781-L904 HydrophobicContact CD2-CD2 3.35Å; L781-L904 HydrophobicContact CG-CD2 4.18Å; K783-L904 VanDerWaalsContact CE-CD2 3.47Å; L890-L904 HydrophobicContact CD1-CD1 4.27Å; L890-L904 HydrophobicContact CD2-CD1 3.53Å; L890-L904 HydrophobicContact CG-CD1 4.11Å; L902-L904 WeakPolarHBondContact O-CG 3.29Å; L902-L904 PolarHBondContact O-N 3.27Å
905S56.1Low73.2Confident20 Ų2044.4 Ų44.414%0.1422%0.219CC..THydrogen-bonded Turntrans-154.381.6174.9-41.20000110K757 S903 D907 V908 Y909K757-S905 CarbonylContact O-C 3.59Å; S903-S905 PolarHBondContact O-N 3.42Å; S905-D907 WeakPolarHBondContact CA-OD1 3.47Å; S905-D907 WeakPolarHBondContact CB-OD1 3.22Å; S905-D907 PolarHBondContact O-N 3.07Å; S905-V908 PolarHBondContact O-N 2.89Å; S905-Y909 PolarHBondContact O-N 2.95Å
906K58.9Low73.2Confident44 Ų4440.3 Ų40.319%0.19120%0.204CC..THydrogen-bonded Turntrans-59.5-35.1177.5-79.2-169.6168.5172.50111.1K757 E759 S903 Y909 N910 Y913K757-K906 PolarHBondContact O-N 3.2Å; E759-K906 HydrophobicContact CB-CD 4.14Å; E759-K906 IonicContact OE2-NZ 2.65Å; E759-K906 PolarHBondContact OE2-NZ 2.87Å; S903-K906 WeakPolarHBondContact OG-CE 3.38Å; K906-Y909 CarbonylContact O-C 3.51Å; K906-Y909 VanDerWaalsContact O-C 3.31Å; K906-Y909 PolarHBondContact O-N 2.97Å; K906-N910 WeakPolarHBondContact O-CA 3.38Å; K906-N910 PolarHBondContact O-N 2.98Å; K906-Y913 HydrophobicContact CG-CE2 4.21Å
907D61.1Low72.7Confident83 Ų8342.3 Ų42.344%0.44421%0.212SC..THydrogen-bonded Turntrans-62.3-37.8176.259-17.2000113.6K757 S905 Y909K757-D907 HydrophobicContact CB-CB 4.39Å; K757-D907 WeakPolarHBondContact CB-OD2 3.34Å; K757-D907 PolarHBondContact N-OD1 3.31Å; K757-D907 PolarHBondContact N-OD2 3.02Å; K757-D907 PolarHBondContact O-N 3.43Å; K757-D907 VanDerWaalsContact O-OD1 3.11Å; S905-D907 WeakPolarHBondContact CA-OD1 3.47Å; S905-D907 WeakPolarHBondContact CB-OD1 3.22Å; S905-D907 PolarHBondContact O-N 3.07Å; D907-Y909 VanDerWaalsContact C-N 3.3Å; D907-Y909 PolarHBondContact O-N 2.95Å
908V59.5Low71.7Confident75 Ų7551.3 Ų51.346%0.45525%0.253SS..THydrogen-bonded Turntrans-67.5-31.2175.9176.50000111.9S905S905-V908 PolarHBondContact O-N 2.89Å
909Y71.4Confident70.6Confident24 Ų2452.4 Ų52.49%0.09427%0.267CS..THydrogen-bonded Turntrans-112.828.5-178.7-61.7-69.1000113.3D835 K837 Q838 R887 S905 K906 D907 S911 E912 Y913D835-Y909 PolarHBondContact OD1-OH 3.29Å; D835-Y909 PolarHBondContact OD2-OH 3.21Å; K837-Y909 HydrophobicContact CD-CE1 4.42Å; Q838-Y909 WeakPolarHBondContact CG-OH 3.26Å; Q838-Y909 PolarHBondContact NE2-OH 2.6Å; R887-Y909 HydrophobicContact CB-CD2 4.17Å; R887-Y909 HydrophobicContact CB-CE2 4.02Å; S905-Y909 PolarHBondContact O-N 2.95Å; K906-Y909 CarbonylContact O-C 3.51Å; K906-Y909 VanDerWaalsContact O-C 3.31Å; K906-Y909 PolarHBondContact O-N 2.97Å; D907-Y909 VanDerWaalsContact C-N 3.3Å; D907-Y909 PolarHBondContact O-N 2.95Å; Y909-S911 PolarHBondContact O-N 3.3Å; Y909-S911 VanDerWaalsContact O-N 3.07Å; Y909-E912 WeakPolarHBondContact O-CB 3.47Å; Y909-E912 PolarHBondContact O-N 2.01Å; Y909-Y913 WeakPolarHBondContact O-CD2 3.37Å
910N72.9Confident69.9Low92 Ų9259 Ų5949%0.49229%0.292SS..G310 helixtrans-56.7-33.1-171.6-169.745.4000113K906 E912 Y913K906-N910 WeakPolarHBondContact O-CA 3.38Å; K906-N910 PolarHBondContact O-N 2.98Å; N910-E912 PolarHBondContact O-N 3.03Å; N910-Y913 PolarHBondContact O-N 2.87Å
911S77.2Confident70Confident94 Ų9459.6 Ų59.666%0.65730%0.295SS*.G310 helixtrans-69.4-7.3176.861.80000114.9Y909Y909-S911 PolarHBondContact O-N 3.3Å; Y909-S911 VanDerWaalsContact O-N 3.07Å
912E81.6Confident71.1Confident12 Ų1259.3 Ų59.36%0.05629%0.292CS..G310 helixtrans-97.4-2.4177.2-57.9-170.1-172.700112.8K837 R887 Y909 N910 W925K837-E912 WeakPolarHBondContact CE-OE1 2.98Å; K837-E912 IonicContact NZ-OE1 2.85Å; K837-E912 PolarHBondContact NZ-OE1 2.71Å; K837-E912 IonicContact NZ-OE2 3.21Å; K837-E912 PolarHBondContact NZ-OE2 2.81Å; R887-E912 IonicContact CZ-OE2 3.49Å; R887-E912 IonicContact NE-OE2 2.83Å; R887-E912 IonicContact NH1-OE2 3.27Å; R887-E912 PolarHBondContact NH1-OE2 2.78Å; Y909-E912 WeakPolarHBondContact O-CB 3.47Å; Y909-E912 PolarHBondContact O-N 2.01Å; N910-E912 PolarHBondContact O-N 3.03Å; E912-W925 HydrophobicContact CB-CH2 4.08Å; E912-W925 HydrophobicContact CB-CZ3 4.09Å; E912-W925 HydrophobicContact CG-CH2 4.24Å; E912-W925 WeakPolarHBondContact OE2-CH2 3.49Å
913Y82.7Confident73Confident14 Ų1459 Ų596%0.05529%0.291CS..  trans-112.6136.1177.8-66.9-86.6000110.7D883 R887 S903 K906 Y909 N910 P922D883-Y913 PolarHBondContact OD2-OH 3.3Å; R887-Y913 PolarHBondContact NE-OH 3.24Å; S903-Y913 PolarHBondContact OG-OH 2.91Å; K906-Y913 HydrophobicContact CG-CE2 4.21Å; Y909-Y913 WeakPolarHBondContact O-CD2 3.37Å; N910-Y913 PolarHBondContact O-N 2.87Å; Y913-P922 HydrophobicContact CD1-CB 4.41Å; Y913-P922 HydrophobicContact CE1-CB 4.19Å
914Y83Confident74.7Confident42 Ų4259.4 Ų59.417%0.16529%0.291CS..EExtended strand (participates in β ladder)trans-114.2136.1179.3176.5-106.8000109.8Y916 I921 L923 D965 D966 L969Y914-Y916 AromaticContact CE1-CD2 3.85Å; Y914-Y916 HydrophobicContact CE1-CD2 3.85Å; Y914-Y916 HydrophobicContact CE1-CG 4.16Å; Y914-Y916 PolarHBondContact O-N 2.97Å; Y914-I921 PolarHBondContact N-O 3.34Å; Y914-I921 WeakPolarHBondContact O-CG1 3.48Å; Y914-I921 PolarHBondContact O-N 2.9Å; Y914-L923 HydrophobicContact CD1-CB 4.47Å; Y914-L923 HydrophobicContact CD1-CD2 3.84Å; Y914-L923 HydrophobicContact CE1-CD2 4.29Å; Y914-L923 HydrophobicContact CG-CD2 4.04Å; Y914-D965 HydrophobicContact CD2-CB 3.42Å; Y914-D965 VanDerWaalsContact CD2-CB 3.42Å; Y914-D965 HydrophobicContact CE2-CB 3.61Å; Y914-D965 HydrophobicContact CG-CB 4.18Å; Y914-D966 PolarHBondContact OH-OD1 3.42Å; Y914-L969 HydrophobicContact CE1-CD2 4.43Å
915H79.5Confident76.7Confident99 Ų9958.6 Ų58.646%0.45829%0.287SS..EExtended strand (participates in β ladder)trans-88.2103.9-179.6-175.8-84.2000110.6A919 W920H915-A919 WeakPolarHBondContact CA-O 3.44Å; H915-W920 HydrophobicContact CB-CD2 4.19Å; H915-W920 HydrophobicContact CB-CE3 4.12Å; H915-W920 HydrophobicContact CB-CH2 4.21Å; H915-W920 HydrophobicContact CB-CZ2 4.26Å; H915-W920 HydrophobicContact CB-CZ3 4.14Å; H915-W920 AromaticContact CD2-CE2 3.77Å; H915-W920 AromaticContact CD2-NE1 3.66Å
916Y75.3Confident78.5Confident48 Ų4858 Ų5819%0.18828%0.282CS..EExtended strand (participates in β ladder)trans-128131.2-178.1-171.4-111.8000110.6Y914 Q918 A919 I921 V931 L969Y914-Y916 AromaticContact CE1-CD2 3.85Å; Y914-Y916 HydrophobicContact CE1-CD2 3.85Å; Y914-Y916 HydrophobicContact CE1-CG 4.16Å; Y914-Y916 PolarHBondContact O-N 2.97Å; Y916-Q918 VanDerWaalsContact C-N 3.32Å; Y916-Q918 PolarHBondContact O-N 3.48Å; Y916-A919 PolarHBondContact N-O 2.77Å; Y916-A919 PolarHBondContact O-N 3.4Å; Y916-I921 HydrophobicContact CD1-CD1 4.21Å; Y916-I921 HydrophobicContact CG-CD1 4.36Å; Y916-V931 HydrophobicContact CD1-CG1 4.34Å; Y916-V931 HydrophobicContact CE1-CG1 4.24Å; Y916-L969 HydrophobicContact CD2-CD2 4.12Å; Y916-L969 HydrophobicContact CE2-CD1 4.34Å; Y916-L969 HydrophobicContact CE2-CD2 3.73Å
917R74.6Confident80.1Confident167 Ų16755.9 Ų55.963%0.6327%0.273SS*.THydrogen-bonded Turntrans46.548.7179-64.5-177.6177.7178.91.9114.2A919 F932R917-A919 PolarHBondContact O-N 2.86Å; R917-F932 PolarHBondContact NH1-O 3.35Å
918Q68.2Low81.7Confident188 Ų18853.4 Ų53.488%0.87926%0.261SS*.THydrogen-bonded Turntrans67.712.6179.2-51.1175-14.400115.1Y916Y916-Q918 VanDerWaalsContact C-N 3.32Å; Y916-Q918 PolarHBondContact O-N 3.48Å
919A70.4Confident83.2Confident46 Ų4650.5 Ų50.538%0.3824%0.242SC..EExtended strand (participates in β ladder)trans-126.9146175.200000111.6H915 Y916 R917 I921H915-A919 WeakPolarHBondContact CA-O 3.44Å; Y916-A919 PolarHBondContact N-O 2.77Å; Y916-A919 PolarHBondContact O-N 3.4Å; R917-A919 PolarHBondContact O-N 2.86Å; A919-I921 HydrophobicContact CB-CG2 4.31Å
920W77.4Confident84.2Confident138 Ų13849.4 Ų49.452%0.52324%0.238SC..EExtended strand (participates in β ladder)trans-87.4115.6169.5-70.992.3000109.3H915H915-W920 HydrophobicContact CB-CD2 4.19Å; H915-W920 HydrophobicContact CB-CE3 4.12Å; H915-W920 HydrophobicContact CB-CH2 4.21Å; H915-W920 HydrophobicContact CB-CZ2 4.26Å; H915-W920 HydrophobicContact CB-CZ3 4.14Å; H915-W920 AromaticContact CD2-CE2 3.77Å; H915-W920 AromaticContact CD2-NE1 3.66Å
921I85.8Confident85Confident15 Ų1545.5 Ų45.58%0.07722%0.217CC..EExtended strand (participates in β ladder)trans-121.5146.4-175.461.8168.1000112.1Y914 Y916 A919 L923 L926 V931Y914-I921 PolarHBondContact N-O 3.34Å; Y914-I921 WeakPolarHBondContact O-CG1 3.48Å; Y914-I921 PolarHBondContact O-N 2.9Å; Y916-I921 HydrophobicContact CD1-CD1 4.21Å; Y916-I921 HydrophobicContact CG-CD1 4.36Å; A919-I921 HydrophobicContact CB-CG2 4.31Å; I921-L923 HydrophobicContact CD1-CD1 4.43Å; I921-L923 HydrophobicContact CG1-CB 4.49Å; I921-L923 PolarHBondContact O-N 3.19Å; I921-L926 HydrophobicContact CB-CD1 4.03Å; I921-L926 HydrophobicContact CD1-CD1 4.44Å; I921-V931 HydrophobicContact CD1-CG1 4.1Å; I921-V931 HydrophobicContact CD1-CG2 4.35Å
922P91Very high85.6Confident8 Ų843.1 Ų43.15%0.05220%0.195CC..  trans-79.463.9173.434.5-37.5000111.1D883 R887 Y913 R924 W925 L926D883-P922 HydrophobicContact CB-CG 4.4Å; D883-P922 WeakPolarHBondContact OD1-CB 3.39Å; D883-P922 WeakPolarHBondContact OD1-CG 3.49Å; R887-P922 VanDerWaalsContact NH2-CB 3.3Å; Y913-P922 HydrophobicContact CD1-CB 4.41Å; Y913-P922 HydrophobicContact CE1-CB 4.19Å; P922-R924 PolarHBondContact O-N 2.96Å; P922-W925 HydrophobicContact CB-CE3 4.13Å; P922-W925 PolarHBondContact O-N 3.36Å; P922-L926 HydrophobicContact CG-CD1 4.14Å; P922-L926 HydrophobicContact CG-CD2 4.23Å; P922-L926 HydrophobicContact CG-CG 4.04Å
923L93.3Very high85.8Confident4 Ų449.5 Ų49.52%0.02123%0.225CC..G310 helixtrans-42.8-44-168.6175.262.3000114.3Y914 I921 W925 L926 V931 D965 V968 L969 L972Y914-L923 HydrophobicContact CD1-CB 4.47Å; Y914-L923 HydrophobicContact CD1-CD2 3.84Å; Y914-L923 HydrophobicContact CE1-CD2 4.29Å; Y914-L923 HydrophobicContact CG-CD2 4.04Å; I921-L923 HydrophobicContact CD1-CD1 4.43Å; I921-L923 HydrophobicContact CG1-CB 4.49Å; I921-L923 PolarHBondContact O-N 3.19Å; L923-W925 PolarHBondContact O-N 3.2Å; L923-L926 PolarHBondContact O-N 3.47Å; L923-V931 HydrophobicContact CD1-CG1 4.05Å; L923-V931 HydrophobicContact CD1-CG2 4.07Å; L923-D965 HydrophobicContact CD2-CB 4.23Å; L923-D965 WeakPolarHBondContact CD2-O 3.44Å; L923-V968 HydrophobicContact CD2-CB 4.34Å; L923-V968 HydrophobicContact CD2-CG1 4.16Å; L923-V968 HydrophobicContact CG-CG1 4.03Å; L923-L969 HydrophobicContact CD1-CD1 3.75Å; L923-L969 HydrophobicContact CD2-CB 4.23Å; L923-L972 HydrophobicContact CD1-CD2 4.3Å
924R94.8Very high85.8Confident16 Ų1654.8 Ų54.86%0.0625%0.254CS..G310 helixtrans-73.4-7.8-174.7-66.4159.3-176.6-85.7-0.7114.7P922 P959 H960 L963 D965 V968P922-R924 PolarHBondContact O-N 2.96Å; R924-P959 HydrophobicContact CB-CB 4.26Å; R924-P959 WeakPolarHBondContact CD-O 3.45Å; R924-P959 PolarHBondContact NH1-O 3.5Å; R924-H960 PolarHBondContact NH1-O 2.91Å; R924-L963 PolarHBondContact NH1-O 3.15Å; R924-L963 PolarHBondContact NH2-O 2.8Å; R924-D965 IonicContact CZ-OD1 3.98Å; R924-D965 VanDerWaalsContact CZ-OD1 3.29Å; R924-D965 IonicContact NE-OD1 2.7Å; R924-D965 PolarHBondContact NE-OD1 3.32Å; R924-D965 IonicContact NH2-OD1 2.73Å; R924-D965 PolarHBondContact NH2-OD1 3.31Å; R924-V968 HydrophobicContact CG-CG1 4.1Å; R924-V968 HydrophobicContact CG-CG2 4.47Å
925W94.9Very high85.8Confident1 Ų156.4 Ų56.40%0.00427%0.266CS..G310 helixtrans-109.2-9176.6-70.2-101.9000113.1A885 E912 P922 L923 A944 V947 E951 P959A885-W925 HydrophobicContact CB-CD2 4.42Å; A885-W925 HydrophobicContact CB-CG 4.27Å; E912-W925 HydrophobicContact CB-CH2 4.08Å; E912-W925 HydrophobicContact CB-CZ3 4.09Å; E912-W925 HydrophobicContact CG-CH2 4.24Å; E912-W925 WeakPolarHBondContact OE2-CH2 3.49Å; P922-W925 HydrophobicContact CB-CE3 4.13Å; P922-W925 PolarHBondContact O-N 3.36Å; L923-W925 PolarHBondContact O-N 3.2Å; W925-A944 WeakPolarHBondContact O-CA 3.36Å; W925-V947 VanDerWaalsContact CD1-CG1 3.45Å; W925-V947 HydrophobicContact CG-CG1 4.01Å; W925-E951 WeakPolarHBondContact CZ2-OE1 3.41Å; W925-E951 VanDerWaalsContact NE1-CD 3.31Å; W925-E951 PolarHBondContact NE1-OE2 3.26Å; W925-P959 HydrophobicContact CH2-CG 4.3Å; W925-P959 VanDerWaalsContact CZ2-CD 3.46Å; W925-P959 HydrophobicContact CZ2-CG 3.73Å
926L93.9Very high86.3Confident7 Ų753.5 Ų53.54%0.03725%0.251CS..  trans-96.8144.5-172.4-65.6179.9000112.4I921 P922 L923 V931 Y936I921-L926 HydrophobicContact CB-CD1 4.03Å; I921-L926 HydrophobicContact CD1-CD1 4.44Å; P922-L926 HydrophobicContact CG-CD1 4.14Å; P922-L926 HydrophobicContact CG-CD2 4.23Å; P922-L926 HydrophobicContact CG-CG 4.04Å; L923-L926 PolarHBondContact O-N 3.47Å; L926-V931 HydrophobicContact CB-CG2 3.53Å; L926-V931 HydrophobicContact CD1-CG2 4Å; L926-V931 HydrophobicContact CG-CG2 4.44Å; L926-Y936 HydrophobicContact CD2-CE1 3.95Å
927P94.5Very high86.9Confident0 Ų052.5 Ų52.50%025%0.251CS..  trans-80170.2169.636.5-38.1000111.7E929 S930 V931 W943P927-E929 VanDerWaalsContact C-N 3.34Å; P927-E929 VanDerWaalsContact CB-OE1 3.27Å; P927-E929 WeakPolarHBondContact CB-OE1 3.43Å; P927-E929 WeakPolarHBondContact CB-OE2 3.26Å; P927-E929 VanDerWaalsContact CG-CD 3.47Å; P927-E929 HydrophobicContact CG-CG 4.21Å; P927-E929 WeakPolarHBondContact CG-OE1 3.42Å; P927-E929 PolarHBondContact O-N 3.21Å; P927-S930 PolarHBondContact O-N 2.79Å; P927-V931 PolarHBondContact O-N 2.97Å; P927-W943 HydrophobicContact CB-CB 4.11Å; P927-W943 HydrophobicContact CB-CD2 3.61Å; P927-W943 HydrophobicContact CB-CE3 3.88Å; P927-W943 HydrophobicContact CB-CG 3.71Å; P927-W943 HydrophobicContact CG-CB 4.24Å; P927-W943 HydrophobicContact CG-CG 4.24Å
928T92.6Very high87.7Confident31 Ų3146.7 Ų46.719%0.1923%0.234CC..Hα-helixtrans-54-45.2-178.639.30000113.6S930 V931 F932 L972T928-S930 VanDerWaalsContact C-N 3.32Å; T928-S930 PolarHBondContact O-N 3.33Å; T928-V931 PolarHBondContact O-N 3.03Å; T928-F932 HydrophobicContact CG2-CD2 4.46Å; T928-F932 HydrophobicContact CG2-CE2 4.35Å; T928-F932 VanDerWaalsContact O-CD2 3.27Å; T928-F932 WeakPolarHBondContact O-CD2 3.36Å; T928-F932 PolarHBondContact O-N 3.5Å; T928-L972 HydrophobicContact CG2-CD1 3.96Å; T928-L972 HydrophobicContact CG2-CG 3.78Å; T928-L972 WeakPolarHBondContact CG2-O 3.49Å
929E92.3Very high89Confident14 Ų1440.2 Ų40.27%0.06520%0.203CC..Hα-helixtrans-63.9-36.4-176.763.3-81.5-17200112.4P927 E933 D934 D935 L1001 R1004P927-E929 VanDerWaalsContact C-N 3.34Å; P927-E929 VanDerWaalsContact CB-OE1 3.27Å; P927-E929 WeakPolarHBondContact CB-OE1 3.43Å; P927-E929 WeakPolarHBondContact CB-OE2 3.26Å; P927-E929 VanDerWaalsContact CG-CD 3.47Å; P927-E929 HydrophobicContact CG-CG 4.21Å; P927-E929 WeakPolarHBondContact CG-OE1 3.42Å; P927-E929 PolarHBondContact O-N 3.21Å; E929-E933 CarbonylContact O-C 3.31Å; E929-E933 WeakPolarHBondContact O-CA 3.49Å; E929-E933 WeakPolarHBondContact O-CB 3.36Å; E929-E933 PolarHBondContact O-N 3.41Å; E929-E933 VanDerWaalsContact O-N 3.1Å; E929-D934 PolarHBondContact O-N 3.12Å; E929-D935 HydrophobicContact CB-CB 4.44Å; E929-D935 PolarHBondContact O-N 2.95Å; E929-L1001 HydrophobicContact CG-CD2 4.4Å; E929-L1001 WeakPolarHBondContact OE1-CD2 3.4Å; E929-R1004 IonicContact OE1-CZ 2.74Å; E929-R1004 IonicContact OE1-NH1 3.19Å; E929-R1004 PolarHBondContact OE1-NH1 3.1Å; E929-R1004 IonicContact OE1-NH2 3.76Å; E929-R1004 PolarHBondContact OE1-NH2 3.38Å; E929-R1004 IonicContact OE2-NH2 2.85Å; E929-R1004 PolarHBondContact OE2-NH2 2.62Å
930S92.4Very high90.1Very high2 Ų238.1 Ų38.11%0.01419%0.186CC..Hα-helixtrans-76.1-29.7179.3-54.20000112.6P927 T928 D935 S940P927-S930 PolarHBondContact O-N 2.79Å; T928-S930 VanDerWaalsContact C-N 3.32Å; T928-S930 PolarHBondContact O-N 3.33Å; S930-D935 WeakPolarHBondContact CA-O 3.22Å; S930-D935 PolarHBondContact OG-O 2.86Å; S930-S940 VanDerWaalsContact OG-CB 3.24Å; S930-S940 WeakPolarHBondContact OG-CB 3.13Å
931V89.4Confident91Very high9 Ų931.7 Ų31.76%0.05516%0.162CC..Hα-helixtrans-82.8-43.1-179.7177.50000112.3Y916 I921 L923 L926 P927 T928 L969 L972Y916-V931 HydrophobicContact CD1-CG1 4.34Å; Y916-V931 HydrophobicContact CE1-CG1 4.24Å; I921-V931 HydrophobicContact CD1-CG1 4.1Å; I921-V931 HydrophobicContact CD1-CG2 4.35Å; L923-V931 HydrophobicContact CD1-CG1 4.05Å; L923-V931 HydrophobicContact CD1-CG2 4.07Å; L926-V931 HydrophobicContact CB-CG2 3.53Å; L926-V931 HydrophobicContact CD1-CG2 4Å; L926-V931 HydrophobicContact CG-CG2 4.44Å; P927-V931 PolarHBondContact O-N 2.97Å; T928-V931 PolarHBondContact O-N 3.03Å; V931-L969 HydrophobicContact CG1-CD1 3.71Å; V931-L972 HydrophobicContact CB-CD2 4.14Å; V931-L972 HydrophobicContact CG2-CD2 3.7Å
932F89.6Confident91.5Very high44 Ų4431 Ų3119%0.19316%0.158CC..Hα-helixtrans-99.2-28-170.8-60.9-65.5000114R917 T928 L969 L972 K973R917-F932 PolarHBondContact NH1-O 3.35Å; T928-F932 HydrophobicContact CG2-CD2 4.46Å; T928-F932 HydrophobicContact CG2-CE2 4.35Å; T928-F932 VanDerWaalsContact O-CD2 3.27Å; T928-F932 WeakPolarHBondContact O-CD2 3.36Å; T928-F932 PolarHBondContact O-N 3.5Å; F932-L969 HydrophobicContact CE1-CD1 3.8Å; F932-L969 HydrophobicContact CE1-CG 4.26Å; F932-L969 HydrophobicContact CZ-CD1 3.74Å; F932-L969 HydrophobicContact CZ-CG 4.19Å; F932-L972 HydrophobicContact CE2-CD2 4.35Å; F932-L972 HydrophobicContact CE2-CG 4.33Å; F932-K973 HydrophobicContact CE2-CB 3.91Å; F932-K973 HydrophobicContact CE2-CG 4.42Å; F932-K973 HydrophobicContact CZ-CB 3.72Å; F932-K973 HydrophobicContact CZ-CG 4.25Å
933E85.8Confident91.8Very high146 Ų14631.4 Ų31.468%0.68216%0.159SC*.SBendtrans-114-3.6-174.2-55.4177.1-161.600113.3E929 D935E929-E933 CarbonylContact O-C 3.31Å; E929-E933 WeakPolarHBondContact O-CA 3.49Å; E929-E933 WeakPolarHBondContact O-CB 3.36Å; E929-E933 PolarHBondContact O-N 3.41Å; E929-E933 VanDerWaalsContact O-N 3.1Å; E933-D935 PolarHBondContact O-N 2.84Å
934D82.1Confident92Very high125 Ų12531.4 Ų31.467%0.66816%0.159SC*.  trans5723.4-175.4-159.942.3000113.2E929 Y936E929-D934 PolarHBondContact O-N 3.12Å; D934-Y936 PolarHBondContact O-N 2.8Å; D934-Y936 WeakPolarHBondContact OD1-CE2 3.39Å
935D84.9Confident92.2Very high76 Ų7630.6 Ų30.641%0.40616%0.156SC..  trans-90104.1179.8-169.99.4000110.7E929 S930 E933E929-D935 HydrophobicContact CB-CB 4.44Å; E929-D935 PolarHBondContact O-N 2.95Å; S930-D935 WeakPolarHBondContact CA-O 3.22Å; S930-D935 PolarHBondContact OG-O 2.86Å; E933-D935 PolarHBondContact O-N 2.84Å
936Y88.4Confident92.3Very high38 Ų3830.6 Ų30.615%0.14916%0.156CC..  trans-104.8122.2176.3-70.3-90000110.7R882 L926 D934R882-Y936 HydrophobicContact CB-CD1 3.64Å; R882-Y936 HydrophobicContact CB-CE1 3.8Å; R882-Y936 HydrophobicContact CB-CG 4.39Å; R882-Y936 HydrophobicContact CG-CD1 3.58Å; R882-Y936 HydrophobicContact CG-CE1 4.21Å; R882-Y936 HydrophobicContact CG-CG 3.88Å; L926-Y936 HydrophobicContact CD2-CE1 3.95Å; D934-Y936 PolarHBondContact O-N 2.8Å; D934-Y936 WeakPolarHBondContact OD1-CE2 3.39Å
937S89.2Confident92.4Very high28 Ų2830.4 Ų30.420%0.19616%0.155CC..  trans-138.1170.4179.568.30000112.3V880 K939 S940 D941V880-S937 WeakPolarHBondContact CG1-O 3.23Å; S937-K939 PolarHBondContact O-N 3.44Å; S937-K939 VanDerWaalsContact O-N 3.11Å; S937-K939 PolarHBondContact OG-N 3.11Å; S937-S940 PolarHBondContact N-OG 2.83Å; S937-S940 WeakPolarHBondContact O-CA 3.25Å; S937-S940 WeakPolarHBondContact O-CB 3.25Å; S937-S940 PolarHBondContact O-N 3.48Å; S937-S940 PolarHBondContact O-OG 2.89Å; S937-S940 PolarHBondContact OG-N 2.96Å; S937-D941 PolarHBondContact O-N 3Å; S937-D941 VanDerWaalsContact O-N 3.11Å
938T90.9Very high92.6Very high44 Ų4430.4 Ų30.427%0.2716%0.155SC..Hα-helixtrans-58.5-24.8171.257.50000112.1S875 V880 D941 V942S875-T938 WeakPolarHBondContact OG-CG2 3.24Å; V880-T938 HydrophobicContact CG2-CG2 4.39Å; T938-D941 PolarHBondContact O-N 2.76Å; T938-V942 WeakPolarHBondContact O-CG2 3.29Å; T938-V942 PolarHBondContact O-N 2.8Å; T938-V942 VanDerWaalsContact O-N 3.08Å
939K94.7Very high92.8Very high52 Ų5228.9 Ų28.923%0.22615%0.146CC..Hα-helixtrans-76.1-29.7173.9-64.3-63.3-172172.40113S937 V942 W943 L1001 R1004 P1005S937-K939 PolarHBondContact O-N 3.44Å; S937-K939 VanDerWaalsContact O-N 3.11Å; S937-K939 PolarHBondContact OG-N 3.11Å; K939-V942 PolarHBondContact O-N 3.35Å; K939-W943 PolarHBondContact O-N 2.92Å; K939-L1001 HydrophobicContact CB-CD2 3.9Å; K939-R1004 HydrophobicContact CD-CB 4.19Å; K939-R1004 PolarHBondContact NZ-O 2.85Å; K939-R1004 WeakPolarHBondContact O-CD 3.47Å; K939-R1004 PolarHBondContact O-NH1 3.4Å; K939-P1005 PolarHBondContact NZ-O 3.44Å; K939-P1005 VanDerWaalsContact NZ-O 3.13Å
940S94.7Very high93Very high3 Ų328.8 Ų28.82%0.02115%0.145CC..Hα-helixtrans-69.4-36.9169.368.50000111.8S930 S937 V942 W943 A944S930-S940 VanDerWaalsContact OG-CB 3.24Å; S930-S940 WeakPolarHBondContact OG-CB 3.13Å; S937-S940 PolarHBondContact N-OG 2.83Å; S937-S940 WeakPolarHBondContact O-CA 3.25Å; S937-S940 WeakPolarHBondContact O-CB 3.25Å; S937-S940 PolarHBondContact O-N 3.48Å; S937-S940 PolarHBondContact O-OG 2.89Å; S937-S940 PolarHBondContact OG-N 2.96Å; S940-V942 VanDerWaalsContact C-N 3.31Å; S940-V942 PolarHBondContact O-N 2.91Å; S940-W943 WeakPolarHBondContact O-CB 3.41Å; S940-W943 PolarHBondContact O-N 3.02Å; S940-A944 PolarHBondContact O-N 3.4Å; S940-A944 VanDerWaalsContact O-N 3.11Å
941D95.7Very high93.2Very high2 Ų228.7 Ų28.71%0.01114%0.144CC..Hα-helixtrans-66.4-32.2172.5-76.7-19.7000112.5M871 V880 H881 R882 S937 T938 W943 A944 F945 F1007M871-D941 HydrophobicContact CE-CB 3.78Å; M871-D941 WeakPolarHBondContact CE-OD2 3.49Å; V880-D941 WeakPolarHBondContact CA-OD2 3.35Å; H881-D941 PolarHBondContact N-OD1 3.22Å; H881-D941 PolarHBondContact N-OD2 3.06Å; R882-D941 PolarHBondContact N-OD1 3.36Å; S937-D941 PolarHBondContact O-N 3Å; S937-D941 VanDerWaalsContact O-N 3.11Å; T938-D941 PolarHBondContact O-N 2.76Å; D941-W943 VanDerWaalsContact C-N 3.32Å; D941-A944 PolarHBondContact O-N 3.4Å; D941-F945 WeakPolarHBondContact O-CB 3.31Å; D941-F945 PolarHBondContact O-N 3.17Å; D941-F1007 HydrophobicContact CB-CE2 3.94Å; D941-F1007 HydrophobicContact CB-CZ 4.05Å
942V97.5Very high93.4Very high1 Ų128.2 Ų28.21%0.00614%0.142CC..Hα-helixtrans-62.6-40.3172.8165.20000111T938 K939 S940 F945 G946 C996 R1004 P1005 F1007 I1010T938-V942 WeakPolarHBondContact O-CG2 3.29Å; T938-V942 PolarHBondContact O-N 2.8Å; T938-V942 VanDerWaalsContact O-N 3.08Å; K939-V942 PolarHBondContact O-N 3.35Å; S940-V942 VanDerWaalsContact C-N 3.31Å; S940-V942 PolarHBondContact O-N 2.91Å; V942-F945 WeakPolarHBondContact O-CB 3.34Å; V942-F945 PolarHBondContact O-N 2.85Å; V942-G946 PolarHBondContact O-N 3.11Å; V942-C996 HydrophobicContact CG1-CB 3.98Å; V942-C996 WeakPolarHBondContact O-CB 3.36Å; V942-R1004 HydrophobicContact CG1-CB 4.11Å; V942-P1005 HydrophobicContact CG1-CG 4.2Å; V942-F1007 HydrophobicContact CG2-CD2 3.95Å; V942-F1007 HydrophobicContact CG2-CE1 4.39Å; V942-F1007 HydrophobicContact CG2-CE2 3.7Å; V942-F1007 HydrophobicContact CG2-CG 4.4Å; V942-F1007 HydrophobicContact CG2-CZ 3.93Å; V942-I1010 HydrophobicContact CG1-CD1 4.05Å; V942-I1010 HydrophobicContact CG2-CD1 4.2Å
943W96.9Very high93.6Very high17 Ų1726.3 Ų26.36%0.06413%0.133CC..Hα-helixtrans-60.6-50.3173.3179-74000111.2P927 K939 S940 D941 F945 G946 V947 L972 C996 W997P927-W943 HydrophobicContact CB-CB 4.11Å; P927-W943 HydrophobicContact CB-CD2 3.61Å; P927-W943 HydrophobicContact CB-CE3 3.88Å; P927-W943 HydrophobicContact CB-CG 3.71Å; P927-W943 HydrophobicContact CG-CB 4.24Å; P927-W943 HydrophobicContact CG-CG 4.24Å; K939-W943 PolarHBondContact O-N 2.92Å; S940-W943 WeakPolarHBondContact O-CB 3.41Å; S940-W943 PolarHBondContact O-N 3.02Å; D941-W943 VanDerWaalsContact C-N 3.32Å; W943-F945 VanDerWaalsContact C-N 3.27Å; W943-F945 PolarHBondContact O-N 2.78Å; W943-G946 WeakPolarHBondContact O-CA 3.29Å; W943-G946 PolarHBondContact O-N 2.77Å; W943-V947 PolarHBondContact O-N 3.19Å; W943-V947 VanDerWaalsContact O-N 3.15Å; W943-L972 HydrophobicContact CZ2-CD1 4.3Å; W943-C996 WeakPolarHBondContact CA-O 3.2Å; W943-W997 HydrophobicContact CD2-CB 4.41Å; W943-W997 AromaticContact CD2-CD1 3.72Å; W943-W997 HydrophobicContact CD2-CG 4.44Å; W943-W997 AromaticContact CE2-CD1 3.82Å; W943-W997 VanDerWaalsContact CE3-CA 3.43Å; W943-W997 HydrophobicContact CE3-CB 4.09Å; W943-W997 AromaticContact CG-CD1 3.91Å; W943-W997 HydrophobicContact CH2-CB 4.09Å; W943-W997 HydrophobicContact CZ2-CB 4.41Å; W943-W997 VanDerWaalsContact CZ3-C 3.4Å; W943-W997 HydrophobicContact CZ3-CB 3.93Å; W943-W997 WeakPolarHBondContact CZ3-O 3.48Å; W943-W997 PolarHBondContact O-NE1 3.33Å
944A96.8Very high93.9Very high3 Ų319.9 Ų19.93%0.02511%0.105CC..Hα-helixtrans-60.3-36.8177.700000111.9L884 W925 S940 D941 G946 V947 L948L884-A944 HydrophobicContact CB-CB 4.01Å; W925-A944 WeakPolarHBondContact O-CA 3.36Å; S940-A944 PolarHBondContact O-N 3.4Å; S940-A944 VanDerWaalsContact O-N 3.11Å; D941-A944 PolarHBondContact O-N 3.4Å; A944-G946 VanDerWaalsContact C-N 3.35Å; A944-G946 PolarHBondContact O-N 3.42Å; A944-V947 WeakPolarHBondContact O-CB 3.33Å; A944-V947 PolarHBondContact O-N 2.88Å; A944-V947 VanDerWaalsContact O-N 3.16Å; A944-L948 PolarHBondContact O-N 2.83Å
945F98Very high94.2Very high0 Ų015.4 Ų15.40%08%0.08CC..Hα-helixtrans-63.1-39172.9-179.9-97.2000112.2C864 V867 A868 L884 D941 V942 W943 V947 L948 M949 F1007 I1010 L1014C864-F945 HydrophobicContact CB-CZ 4.44Å; C864-F945 WeakPolarHBondContact O-CZ 3.29Å; V867-F945 HydrophobicContact CB-CE2 4.02Å; V867-F945 HydrophobicContact CG1-CD2 3.94Å; V867-F945 HydrophobicContact CG1-CE2 3.78Å; A868-F945 HydrophobicContact CB-CE1 4.5Å; A868-F945 HydrophobicContact CB-CE2 3.96Å; A868-F945 HydrophobicContact CB-CZ 3.7Å; L884-F945 HydrophobicContact CD2-CB 3.72Å; L884-F945 HydrophobicContact CD2-CD2 4.16Å; L884-F945 HydrophobicContact CD2-CG 4.45Å; D941-F945 WeakPolarHBondContact O-CB 3.31Å; D941-F945 PolarHBondContact O-N 3.17Å; V942-F945 WeakPolarHBondContact O-CB 3.34Å; V942-F945 PolarHBondContact O-N 2.85Å; W943-F945 VanDerWaalsContact C-N 3.27Å; W943-F945 PolarHBondContact O-N 2.78Å; F945-V947 VanDerWaalsContact C-N 3.3Å; F945-V947 PolarHBondContact O-N 2.85Å; F945-L948 HydrophobicContact CE2-CD2 4.5Å; F945-L948 WeakPolarHBondContact O-CB 3.31Å; F945-L948 PolarHBondContact O-N 2.81Å; F945-M949 HydrophobicContact CD1-CG 4.05Å; F945-M949 HydrophobicContact CD1-SD 3.93Å; F945-M949 HydrophobicContact CE1-CG 3.55Å; F945-M949 HydrophobicContact CE1-SD 3.27Å; F945-M949 WeakPolarHBondContact CE1-SD 3.49Å; F945-M949 HydrophobicContact CE2-CG 4.46Å; F945-M949 HydrophobicContact CZ-CG 3.79Å; F945-M949 HydrophobicContact CZ-SD 3.94Å; F945-M949 WeakPolarHBondContact O-CG 3.17Å; F945-M949 PolarHBondContact O-N 3.08Å; F945-F1007 HydrophobicContact CB-CE1 3.78Å; F945-F1007 HydrophobicContact CB-CZ 4.05Å; F945-F1007 HydrophobicContact CD1-CE1 4.33Å; F945-F1007 AromaticContact CD2-CE1 3.99Å; F945-F1007 HydrophobicContact CD2-CE1 3.99Å; F945-F1007 AromaticContact CG-CE1 3.76Å; F945-F1007 HydrophobicContact CG-CE1 3.76Å; F945-I1010 HydrophobicContact CD1-CD1 3.97Å; F945-I1010 HydrophobicContact CD1-CG2 4.08Å; F945-I1010 HydrophobicContact CE1-CD1 4.29Å; F945-I1010 HydrophobicContact CE1-CG2 3.33Å; F945-I1010 HydrophobicContact CZ-CG2 3.87Å; F945-L1014 HydrophobicContact CE1-CD1 4.48Å; F945-L1014 HydrophobicContact CZ-CD1 4.14Å
946G97.3Very high94.3Very high0 Ų011.8 Ų11.80%06%0.061CC..Hα-helixtrans-58.1-43.1171.800000112.1V942 W943 A944 M949 W950 W997V942-G946 PolarHBondContact O-N 3.11Å; W943-G946 WeakPolarHBondContact O-CA 3.29Å; W943-G946 PolarHBondContact O-N 2.77Å; A944-G946 VanDerWaalsContact C-N 3.35Å; A944-G946 PolarHBondContact O-N 3.42Å; G946-M949 PolarHBondContact O-N 2.91Å; G946-W950 PolarHBondContact O-N 3.19Å; G946-W950 VanDerWaalsContact O-N 3.08Å; G946-W997 WeakPolarHBondContact O-CZ2 3.32Å
947V97.4Very high94.4Very high3 Ų313.3 Ų13.32%0.0187%0.07CC..Hα-helixtrans-65.9-41.7174.9-175.60000111.2W925 W943 A944 F945 M949 W950 E951 P959 L979 W997W925-V947 VanDerWaalsContact CD1-CG1 3.45Å; W925-V947 HydrophobicContact CG-CG1 4.01Å; W943-V947 PolarHBondContact O-N 3.19Å; W943-V947 VanDerWaalsContact O-N 3.15Å; A944-V947 WeakPolarHBondContact O-CB 3.33Å; A944-V947 PolarHBondContact O-N 2.88Å; A944-V947 VanDerWaalsContact O-N 3.16Å; F945-V947 VanDerWaalsContact C-N 3.3Å; F945-V947 PolarHBondContact O-N 2.85Å; V947-M949 PolarHBondContact O-N 3.48Å; V947-W950 CarbonylContact O-C 3.54Å; V947-W950 WeakPolarHBondContact O-CA 3.1Å; V947-W950 VanDerWaalsContact O-CB 3.28Å; V947-W950 WeakPolarHBondContact O-CB 3.37Å; V947-W950 PolarHBondContact O-N 3.23Å; V947-W950 VanDerWaalsContact O-N 3.08Å; V947-E951 PolarHBondContact O-N 2.87Å; V947-P959 HydrophobicContact CG1-CB 3.98Å; V947-P959 HydrophobicContact CG1-CG 3.48Å; V947-P959 VanDerWaalsContact CG1-CG 3.48Å; V947-L979 HydrophobicContact CG1-CD1 4.14Å; V947-L979 HydrophobicContact CG2-CD1 4.34Å; V947-W997 HydrophobicContact CG2-CZ2 4.32Å
948L97.1Very high94.5Very high0 Ų014.4 Ų14.40%07%0.073CC..Hα-helixtrans-60.4-44.3174.7-179.2155.5000111.5V867 L884 A944 F945 W950 E951 V952V867-L948 HydrophobicContact CB-CD2 4.44Å; V867-L948 HydrophobicContact CG1-CD1 3.93Å; V867-L948 HydrophobicContact CG1-CD2 4.1Å; V867-L948 HydrophobicContact CG2-CD2 4.36Å; L884-L948 HydrophobicContact CD1-CD1 3.88Å; L884-L948 HydrophobicContact CG-CD1 3.94Å; A944-L948 PolarHBondContact O-N 2.83Å; F945-L948 HydrophobicContact CE2-CD2 4.5Å; F945-L948 WeakPolarHBondContact O-CB 3.31Å; F945-L948 PolarHBondContact O-N 2.81Å; L948-W950 PolarHBondContact O-N 2.74Å; L948-E951 WeakPolarHBondContact O-CB 3.49Å; L948-E951 PolarHBondContact O-N 2.74Å; L948-E951 VanDerWaalsContact O-N 3.12Å; L948-V952 HydrophobicContact CD2-CG2 4.04Å; L948-V952 WeakPolarHBondContact O-CG2 3.36Å; L948-V952 PolarHBondContact O-N 3.07Å
949M97Very high94.7Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-57.9-42.8174.2-71.8-174.865.900110.4C864 F945 G946 V947 V952 F953 I989 L992 M993 L1014C864-M949 HydrophobicContact CB-CG 4.21Å; F945-M949 HydrophobicContact CD1-CG 4.05Å; F945-M949 HydrophobicContact CD1-SD 3.93Å; F945-M949 HydrophobicContact CE1-CG 3.55Å; F945-M949 HydrophobicContact CE1-SD 3.27Å; F945-M949 WeakPolarHBondContact CE1-SD 3.49Å; F945-M949 HydrophobicContact CE2-CG 4.46Å; F945-M949 HydrophobicContact CZ-CG 3.79Å; F945-M949 HydrophobicContact CZ-SD 3.94Å; F945-M949 WeakPolarHBondContact O-CG 3.17Å; F945-M949 PolarHBondContact O-N 3.08Å; G946-M949 PolarHBondContact O-N 2.91Å; V947-M949 PolarHBondContact O-N 3.48Å; M949-V952 PolarHBondContact O-N 3.27Å; M949-F953 WeakPolarHBondContact O-CD2 3.24Å; M949-F953 PolarHBondContact O-N 2.85Å; M949-F953 VanDerWaalsContact O-N 3.07Å; M949-I989 HydrophobicContact CE-CG2 3.59Å; M949-L992 HydrophobicContact CE-CD2 4.23Å; M949-L992 HydrophobicContact SD-CD2 4.42Å; M949-M993 HydrophobicContact CB-CE 3.7Å; M949-M993 HydrophobicContact CB-CG 3.9Å; M949-M993 HydrophobicContact CE-CE 4.27Å; M949-M993 HydrophobicContact CE-CG 4.21Å; M949-M993 WeakPolarHBondContact O-CE 3.38Å; M949-M993 HydrophobicContact SD-CG 4.33Å; M949-L1014 HydrophobicContact CE-CD2 4.11Å
950W97.3Very high94.6Very high11 Ų1111.1 Ų11.14%0.0426%0.055CC..Hα-helixtrans-59.5-45.9175.2-174.596.4000111.2G946 V947 L948 V952 F953 S954 E957 P959 L979 P980 P982 M993 W997G946-W950 PolarHBondContact O-N 3.19Å; G946-W950 VanDerWaalsContact O-N 3.08Å; V947-W950 CarbonylContact O-C 3.54Å; V947-W950 WeakPolarHBondContact O-CA 3.1Å; V947-W950 VanDerWaalsContact O-CB 3.28Å; V947-W950 WeakPolarHBondContact O-CB 3.37Å; V947-W950 PolarHBondContact O-N 3.23Å; V947-W950 VanDerWaalsContact O-N 3.08Å; L948-W950 PolarHBondContact O-N 2.74Å; W950-V952 VanDerWaalsContact C-N 3.35Å; W950-V952 PolarHBondContact O-N 3.21Å; W950-F953 PolarHBondContact O-N 3.31Å; W950-F953 VanDerWaalsContact O-N 3.12Å; W950-S954 VanDerWaalsContact CZ3-OG 3.26Å; W950-S954 WeakPolarHBondContact CZ3-OG 3.47Å; W950-S954 WeakPolarHBondContact O-CB 3.46Å; W950-S954 PolarHBondContact O-N 3.09Å; W950-S954 PolarHBondContact O-OG 3.5Å; W950-E957 HydrophobicContact CH2-CB 3.75Å; W950-E957 HydrophobicContact CZ3-CB 3.85Å; W950-P959 HydrophobicContact CE3-CG 4.46Å; W950-P959 HydrophobicContact CZ3-CG 4.43Å; W950-L979 HydrophobicContact CB-CD1 4.12Å; W950-L979 HydrophobicContact CD2-CB 4.43Å; W950-L979 HydrophobicContact CD2-CD1 3.95Å; W950-L979 HydrophobicContact CD2-CD2 4.28Å; W950-L979 HydrophobicContact CD2-CG 4.45Å; W950-L979 HydrophobicContact CE3-CD1 4.33Å; W950-L979 HydrophobicContact CG-CB 4.18Å; W950-L979 HydrophobicContact CG-CD1 3.82Å; W950-L979 HydrophobicContact CG-CG 4.49Å; W950-L979 HydrophobicContact CZ2-CD2 4.22Å; W950-P980 PolarHBondContact NE1-O 2.96Å; W950-P982 VanDerWaalsContact CD1-CG 3.47Å; W950-P982 HydrophobicContact CG-CG 4.08Å; W950-M993 HydrophobicContact CB-SD 4.45Å; W950-W997 HydrophobicContact CB-CH2 4.09Å; W950-W997 HydrophobicContact CB-CZ2 4.13Å; W950-W997 HydrophobicContact CG-CH2 4.39Å
951E95.6Very high94.4Very high0 Ų015.5 Ų15.50%08%0.078CC..Hα-helixtrans-56.5-43.5174.1-68.9-175.4102.600112.2K837 A886 W925 V947 L948 F953 S954 L955 G956 P959K837-E951 IonicContact NZ-OE1 3.29Å; K837-E951 PolarHBondContact NZ-OE1 3.41Å; A886-E951 HydrophobicContact CB-CB 4.17Å; A886-E951 PolarHBondContact N-OE2 3.2Å; W925-E951 WeakPolarHBondContact CZ2-OE1 3.41Å; W925-E951 VanDerWaalsContact NE1-CD 3.31Å; W925-E951 PolarHBondContact NE1-OE2 3.26Å; V947-E951 PolarHBondContact O-N 2.87Å; L948-E951 WeakPolarHBondContact O-CB 3.49Å; L948-E951 PolarHBondContact O-N 2.74Å; L948-E951 VanDerWaalsContact O-N 3.12Å; E951-F953 VanDerWaalsContact C-N 3.3Å; E951-F953 PolarHBondContact O-N 3.42Å; E951-S954 WeakPolarHBondContact CA-OG 3.46Å; E951-S954 PolarHBondContact O-N 3.26Å; E951-S954 PolarHBondContact O-OG 3.05Å; E951-L955 PolarHBondContact O-N 2.75Å; E951-G956 PolarHBondContact O-N 3.34Å; E951-P959 HydrophobicContact CG-CG 4.35Å
952V94.1Very high94.1Very high0 Ų024.4 Ų24.40%012%0.116CC..Hα-helixtrans-61.5-41.1177.2178.60000111.2L836 L840 K860 I863 L948 M949 W950L836-V952 HydrophobicContact CD2-CG2 4.34Å; L840-V952 HydrophobicContact CD1-CB 4.47Å; L840-V952 HydrophobicContact CD1-CG2 4.21Å; L840-V952 HydrophobicContact CD2-CG1 4.3Å; K860-V952 HydrophobicContact CB-CG1 3.89Å; K860-V952 HydrophobicContact CG-CG1 4.15Å; I863-V952 HydrophobicContact CB-CG1 4.36Å; I863-V952 HydrophobicContact CG2-CG1 4.2Å; I863-V952 HydrophobicContact CG2-CG2 3.99Å; L948-V952 HydrophobicContact CD2-CG2 4.04Å; L948-V952 WeakPolarHBondContact O-CG2 3.36Å; L948-V952 PolarHBondContact O-N 3.07Å; M949-V952 PolarHBondContact O-N 3.27Å; W950-V952 VanDerWaalsContact C-N 3.35Å; W950-V952 PolarHBondContact O-N 3.21Å
953F94.1Very high93.9Very high4 Ų427.4 Ų27.42%0.01813%0.132CC..Hα-helixtrans-78.3-32.5-177.2-85.3-93.3000113.4T857 K860 V861 M949 W950 E951 L955 P982 C985 I989 M993T857-F953 HydrophobicContact CG2-CE1 4.24Å; K860-F953 HydrophobicContact CB-CD2 4.43Å; K860-F953 HydrophobicContact CB-CE1 4.09Å; K860-F953 HydrophobicContact CB-CE2 3.95Å; K860-F953 HydrophobicContact CB-CZ 3.77Å; K860-F953 HydrophobicContact CD-CD1 3.92Å; K860-F953 HydrophobicContact CD-CE1 4.06Å; K860-F953 HydrophobicContact CD-CG 4.3Å; K860-F953 PolarHBondContact NZ-O 3.02Å; K860-F953 VanDerWaalsContact NZ-O 3.11Å; V861-F953 HydrophobicContact CG2-CZ 3.95Å; M949-F953 WeakPolarHBondContact O-CD2 3.24Å; M949-F953 PolarHBondContact O-N 2.85Å; M949-F953 VanDerWaalsContact O-N 3.07Å; W950-F953 PolarHBondContact O-N 3.31Å; W950-F953 VanDerWaalsContact O-N 3.12Å; E951-F953 VanDerWaalsContact C-N 3.3Å; E951-F953 PolarHBondContact O-N 3.42Å; F953-L955 VanDerWaalsContact C-N 3.28Å; F953-P982 HydrophobicContact CB-CB 3.87Å; F953-P982 HydrophobicContact CB-CG 3.81Å; F953-C985 HydrophobicContact CB-CB 4.48Å; F953-C985 HydrophobicContact CD1-CB 3.79Å; F953-C985 HydrophobicContact CE1-CB 4.44Å; F953-C985 HydrophobicContact CG-CB 4.35Å; F953-I989 HydrophobicContact CD2-CG2 4.21Å; F953-I989 HydrophobicContact CE1-CG2 4.42Å; F953-I989 HydrophobicContact CE2-CG2 3.65Å; F953-I989 HydrophobicContact CZ-CB 4.47Å; F953-I989 HydrophobicContact CZ-CG1 4.38Å; F953-I989 HydrophobicContact CZ-CG2 3.76Å; F953-M993 HydrophobicContact CB-CE 4.19Å; F953-M993 HydrophobicContact CD2-CE 3.66Å; F953-M993 HydrophobicContact CE2-CE 4.33Å; F953-M993 HydrophobicContact CG-CE 4.03Å
954S92.1Very high93.6Very high11 Ų1129.3 Ų29.38%0.07715%0.148CC..Hα-helixtrans-830.9173.366.60000114.1W950 E951 E957W950-S954 VanDerWaalsContact CZ3-OG 3.26Å; W950-S954 WeakPolarHBondContact CZ3-OG 3.47Å; W950-S954 WeakPolarHBondContact O-CB 3.46Å; W950-S954 PolarHBondContact O-N 3.09Å; W950-S954 PolarHBondContact O-OG 3.5Å; E951-S954 WeakPolarHBondContact CA-OG 3.46Å; E951-S954 PolarHBondContact O-N 3.26Å; E951-S954 PolarHBondContact O-OG 3.05Å; S954-E957 WeakPolarHBondContact O-CG 3.46Å
955L88.7Confident93.3Very high30 Ų3031.6 Ų31.616%0.15716%0.16CC..THydrogen-bonded Turntrans61.646.2-179.8-55.2173.3000112.8L840 K844 I855 E951 F953L840-L955 CarbonylContact C-O 3.55Å; L840-L955 HydrophobicContact CD2-CD2 4.36Å; K844-L955 HydrophobicContact CB-CB 3.94Å; K844-L955 HydrophobicContact CB-CD1 4.03Å; K844-L955 HydrophobicContact CD-CB 4.16Å; K844-L955 HydrophobicContact CG-CB 4.14Å; K844-L955 HydrophobicContact CG-CD1 4.03Å; I855-L955 HydrophobicContact CD1-CD2 4.39Å; E951-L955 PolarHBondContact O-N 2.75Å; F953-L955 VanDerWaalsContact C-N 3.28Å
956G87.5Confident92.9Very high1 Ų136.4 Ų36.41%0.0119%0.186CC..SBendtrans81.522.217200000114.4K841 E951K841-G956 WeakPolarHBondContact CE-O 3.49Å; E951-G956 PolarHBondContact O-N 3.34Å
957E90.3Very high92.7Very high70 Ų7041.4 Ų41.433%0.32721%0.209SC..PPolyproline II helixtrans-62.4154.4171.1-74-17917200111.8K844 W950 S954K844-E957 VanDerWaalsContact NZ-CD 3.33Å; K844-E957 IonicContact NZ-OE1 3.65Å; K844-E957 PolarHBondContact NZ-OE1 2.86Å; W950-E957 HydrophobicContact CH2-CB 3.75Å; W950-E957 HydrophobicContact CZ3-CB 3.85Å; S954-E957 WeakPolarHBondContact O-CG 3.46Å
958M90.8Very high92.5Very high51 Ų5141.2 Ų41.225%0.25121%0.208SC..PPolyproline II helixtrans-78.6127175.6-177.1166.8179.900109.6H960 D961M958-H960 PolarHBondContact O-N 2.85Å; M958-D961 HydrophobicContact CB-CB 4.14Å; M958-D961 WeakPolarHBondContact O-CB 3.44Å; M958-D961 PolarHBondContact O-N 2.9Å
959P94.4Very high92.2Very high0 Ų042.1 Ų42.10%021%0.213CC..THydrogen-bonded Turntrans-61.8131.3177.3-20.331.3000111.1R924 W925 V947 W950 E951 D961 L979R924-P959 HydrophobicContact CB-CB 4.26Å; R924-P959 WeakPolarHBondContact CD-O 3.45Å; R924-P959 PolarHBondContact NH1-O 3.5Å; W925-P959 HydrophobicContact CH2-CG 4.3Å; W925-P959 VanDerWaalsContact CZ2-CD 3.46Å; W925-P959 HydrophobicContact CZ2-CG 3.73Å; V947-P959 HydrophobicContact CG1-CB 3.98Å; V947-P959 HydrophobicContact CG1-CG 3.48Å; V947-P959 VanDerWaalsContact CG1-CG 3.48Å; W950-P959 HydrophobicContact CE3-CG 4.46Å; W950-P959 HydrophobicContact CZ3-CG 4.43Å; E951-P959 HydrophobicContact CG-CG 4.35Å; P959-D961 VanDerWaalsContact C-N 3.25Å; P959-D961 PolarHBondContact O-N 3.36Å; P959-L979 HydrophobicContact CB-CD1 4.15Å; P959-L979 HydrophobicContact CB-CD2 3.98Å
960H93.4Very high92Very high26 Ų2646.8 Ų46.812%0.1223%0.234CC..THydrogen-bonded Turntrans57.332.3-177.9-53-72.1000114.5R924 M958 K962 L963 V968 L977 L979R924-H960 PolarHBondContact NH1-O 2.91Å; M958-H960 PolarHBondContact O-N 2.85Å; H960-K962 PolarHBondContact O-N 3.47Å; H960-L963 HydrophobicContact CB-CB 4.45Å; H960-L963 HydrophobicContact CB-CD1 4.24Å; H960-L963 HydrophobicContact CB-CG 4.48Å; H960-L963 PolarHBondContact O-N 3.24Å; H960-V968 HydrophobicContact CB-CG2 3.89Å; H960-L977 VanDerWaalsContact CD2-CD2 3.48Å; H960-L977 WeakPolarHBondContact CD2-CD2 3.5Å; H960-L977 WeakPolarHBondContact NE2-CD2 3.16Å; H960-L979 VanDerWaalsContact CE1-CD2 3.47Å; H960-L979 WeakPolarHBondContact CE1-CD2 3.46Å; H960-L979 WeakPolarHBondContact NE2-CD2 3.25Å; H960-L979 WeakPolarHBondContact NE2-CG 3.48Å
961D89.4Confident91.6Very high95 Ų9546.9 Ų46.951%0.50824%0.239SC..THydrogen-bonded Turntrans-47.2-29.3179.666.4-22.4000115.5M958 P959 L963M958-D961 HydrophobicContact CB-CB 4.14Å; M958-D961 WeakPolarHBondContact O-CB 3.44Å; M958-D961 PolarHBondContact O-N 2.9Å; P959-D961 VanDerWaalsContact C-N 3.25Å; P959-D961 PolarHBondContact O-N 3.36Å; D961-L963 VanDerWaalsContact C-N 3.33Å
962K90.7Very high91.4Very high189 Ų18947 Ų4782%0.82224%0.24SC*.THydrogen-bonded Turntrans-76.5-11.2177.2-66.6176-172.9178.20115.2H960H960-K962 PolarHBondContact O-N 3.47Å
963L92.1Very high91.2Very high64 Ų6453.3 Ų53.334%0.33527%0.267SS..SBendtrans-108.9142-178.5-57.7-178.3000110.1R924 H960 D961 E967 V968 L977R924-L963 PolarHBondContact NH1-O 3.15Å; R924-L963 PolarHBondContact NH2-O 2.8Å; H960-L963 HydrophobicContact CB-CB 4.45Å; H960-L963 HydrophobicContact CB-CD1 4.24Å; H960-L963 HydrophobicContact CB-CG 4.48Å; H960-L963 PolarHBondContact O-N 3.24Å; D961-L963 VanDerWaalsContact C-N 3.33Å; L963-E967 HydrophobicContact CB-CB 4.17Å; L963-V968 HydrophobicContact CB-CG2 3.77Å; L963-V968 HydrophobicContact CD1-CG2 4.3Å; L963-L977 HydrophobicContact CD1-CD1 4.47Å
964S91.8Very high90.9Very high58 Ų5858.5 Ų58.541%0.40629%0.293SS..  trans-67161.1167.163.30000111.5D966 E967 V968S964-D966 VanDerWaalsContact C-N 3.27Å; S964-D966 PolarHBondContact O-N 3.27Å; S964-E967 WeakPolarHBondContact CB-OE2 3.45Å; S964-E967 PolarHBondContact N-OE2 3.48Å; S964-E967 PolarHBondContact O-N 3.35Å; S964-E967 VanDerWaalsContact OG-CD 3.26Å; S964-E967 VanDerWaalsContact OG-CG 3.23Å; S964-E967 WeakPolarHBondContact OG-CG 2.75Å; S964-E967 PolarHBondContact OG-N 2.74Å; S964-E967 PolarHBondContact OG-OE2 2.99Å; S964-V968 WeakPolarHBondContact O-CG2 3.47Å; S964-V968 PolarHBondContact O-N 3.29Å
965D89.4Confident90.6Very high50 Ų5059.4 Ų59.427%0.26730%0.304SS..Hα-helixtrans-61.7-35.1-179.1-66.2-30000112.5Y914 L923 R924 V968 L969Y914-D965 HydrophobicContact CD2-CB 3.42Å; Y914-D965 VanDerWaalsContact CD2-CB 3.42Å; Y914-D965 HydrophobicContact CE2-CB 3.61Å; Y914-D965 HydrophobicContact CG-CB 4.18Å; L923-D965 HydrophobicContact CD2-CB 4.23Å; L923-D965 WeakPolarHBondContact CD2-O 3.44Å; R924-D965 IonicContact CZ-OD1 3.98Å; R924-D965 VanDerWaalsContact CZ-OD1 3.29Å; R924-D965 IonicContact NE-OD1 2.7Å; R924-D965 PolarHBondContact NE-OD1 3.32Å; R924-D965 IonicContact NH2-OD1 2.73Å; R924-D965 PolarHBondContact NH2-OD1 3.31Å; D965-V968 PolarHBondContact O-N 2.98Å; D965-L969 WeakPolarHBondContact O-CB 3.2Å; D965-L969 PolarHBondContact O-N 3.26Å
966D90.3Very high90.4Very high101 Ų10165 Ų6554%0.5433%0.327SS..Hα-helixtrans-68.7-37.8176.5-64.5-30.6000111.9Y914 S964 V968 L969 E970Y914-D966 PolarHBondContact OH-OD1 3.42Å; S964-D966 VanDerWaalsContact C-N 3.27Å; S964-D966 PolarHBondContact O-N 3.27Å; D966-V968 VanDerWaalsContact C-N 3.34Å; D966-L969 PolarHBondContact O-N 2.96Å; D966-E970 PolarHBondContact O-N 3.27Å
967E93.2Very high90.4Very high105 Ų10566.3 Ų66.349%0.49133%0.333SS..Hα-helixtrans-67.7-35173.8-72.3168.4132.400112.1L963 S964 G971L963-E967 HydrophobicContact CB-CB 4.17Å; S964-E967 WeakPolarHBondContact CB-OE2 3.45Å; S964-E967 PolarHBondContact N-OE2 3.48Å; S964-E967 PolarHBondContact O-N 3.35Å; S964-E967 VanDerWaalsContact OG-CD 3.26Å; S964-E967 VanDerWaalsContact OG-CG 3.23Å; S964-E967 WeakPolarHBondContact OG-CG 2.75Å; S964-E967 PolarHBondContact OG-N 2.74Å; S964-E967 PolarHBondContact OG-OE2 2.99Å; E967-G971 PolarHBondContact O-N 3.36Å
968V93.1Very high90.1Very high0 Ų070.5 Ų70.50%035%0.35CS..Hα-helixtrans-66.1-44.4172.5172.90000110.6L923 R924 H960 L963 S964 D965 D966 E970 G971 L972 L977L923-V968 HydrophobicContact CD2-CB 4.34Å; L923-V968 HydrophobicContact CD2-CG1 4.16Å; L923-V968 HydrophobicContact CG-CG1 4.03Å; R924-V968 HydrophobicContact CG-CG1 4.1Å; R924-V968 HydrophobicContact CG-CG2 4.47Å; H960-V968 HydrophobicContact CB-CG2 3.89Å; L963-V968 HydrophobicContact CB-CG2 3.77Å; L963-V968 HydrophobicContact CD1-CG2 4.3Å; S964-V968 WeakPolarHBondContact O-CG2 3.47Å; S964-V968 PolarHBondContact O-N 3.29Å; D965-V968 PolarHBondContact O-N 2.98Å; D966-V968 VanDerWaalsContact C-N 3.34Å; V968-E970 PolarHBondContact O-N 2.95Å; V968-G971 PolarHBondContact O-N 3.34Å; V968-L972 VanDerWaalsContact O-CB 3.24Å; V968-L972 WeakPolarHBondContact O-CB 3.46Å; V968-L972 PolarHBondContact O-N 3.28Å; V968-L977 HydrophobicContact CB-CD1 4.44Å; V968-L977 HydrophobicContact CG1-CD1 4.15Å; V968-L977 HydrophobicContact CG1-CD2 4.09Å
969L91.7Very high90.2Very high18 Ų1868.3 Ų68.39%0.09434%0.34CS..Hα-helixtrans-60.1-46.9178.4-172.170.5000111.5Y914 Y916 L923 V931 F932 D965 D966 L972 K973Y914-L969 HydrophobicContact CE1-CD2 4.43Å; Y916-L969 HydrophobicContact CD2-CD2 4.12Å; Y916-L969 HydrophobicContact CE2-CD1 4.34Å; Y916-L969 HydrophobicContact CE2-CD2 3.73Å; L923-L969 HydrophobicContact CD1-CD1 3.75Å; L923-L969 HydrophobicContact CD2-CB 4.23Å; V931-L969 HydrophobicContact CG1-CD1 3.71Å; F932-L969 HydrophobicContact CE1-CD1 3.8Å; F932-L969 HydrophobicContact CE1-CG 4.26Å; F932-L969 HydrophobicContact CZ-CD1 3.74Å; F932-L969 HydrophobicContact CZ-CG 4.19Å; D965-L969 WeakPolarHBondContact O-CB 3.2Å; D965-L969 PolarHBondContact O-N 3.26Å; D966-L969 PolarHBondContact O-N 2.96Å; L969-L972 PolarHBondContact O-N 3.18Å; L969-K973 WeakPolarHBondContact O-CB 3.36Å; L969-K973 PolarHBondContact O-N 2.59Å
970E91.3Very high90.2Very high98 Ų9872.4 Ų72.446%0.45837%0.367SS..Hα-helixtrans-67.1-43.3176.3-77.1-62144.600112D966 V968 L972 K973 M974D966-E970 PolarHBondContact O-N 3.27Å; V968-E970 PolarHBondContact O-N 2.95Å; E970-L972 VanDerWaalsContact C-N 3.29Å; E970-L972 PolarHBondContact O-N 2.86Å; E970-K973 WeakPolarHBondContact O-CB 2.87Å; E970-K973 PolarHBondContact O-N 3.27Å; E970-M974 VanDerWaalsContact O-CG 3.31Å; E970-M974 WeakPolarHBondContact O-CG 3.31Å; E970-M974 PolarHBondContact O-N 2.79Å
971G90.4Very high90.2Very high14 Ų1473.6 Ų73.614%0.14438%0.381CS..Hα-helixtrans-61.5-36.617700000113.3E967 V968 G975 K976 L977E967-G971 PolarHBondContact O-N 3.36Å; V968-G971 PolarHBondContact O-N 3.34Å; G971-G975 PolarHBondContact O-N 2.76Å; G971-K976 PolarHBondContact O-N 3.16Å; G971-L977 PolarHBondContact O-N 3.16Å
972L90.8Very high90.3Very high3 Ų369.8 Ų69.82%0.01636%0.361CS..Hα-helixtrans-66.4-49.3174.4-174.764.2000110.3L923 T928 V931 F932 W943 V968 L969 E970 M974 G975L923-L972 HydrophobicContact CD1-CD2 4.3Å; T928-L972 HydrophobicContact CG2-CD1 3.96Å; T928-L972 HydrophobicContact CG2-CG 3.78Å; T928-L972 WeakPolarHBondContact CG2-O 3.49Å; V931-L972 HydrophobicContact CB-CD2 4.14Å; V931-L972 HydrophobicContact CG2-CD2 3.7Å; F932-L972 HydrophobicContact CE2-CD2 4.35Å; F932-L972 HydrophobicContact CE2-CG 4.33Å; W943-L972 HydrophobicContact CZ2-CD1 4.3Å; V968-L972 VanDerWaalsContact O-CB 3.24Å; V968-L972 WeakPolarHBondContact O-CB 3.46Å; V968-L972 PolarHBondContact O-N 3.28Å; L969-L972 PolarHBondContact O-N 3.18Å; E970-L972 VanDerWaalsContact C-N 3.29Å; E970-L972 PolarHBondContact O-N 2.86Å; L972-M974 VanDerWaalsContact C-N 3.26Å; L972-M974 PolarHBondContact O-N 3.28Å; L972-G975 PolarHBondContact O-N 2.81Å
973K89.4Confident90Very high131 Ų13168.3 Ų68.357%0.5736%0.362SS*.Hα-helixtrans-57.4-37177.1-171.7179.6177.5-173.30113.2F932 L969 E970 G975F932-K973 HydrophobicContact CE2-CB 3.91Å; F932-K973 HydrophobicContact CE2-CG 4.42Å; F932-K973 HydrophobicContact CZ-CB 3.72Å; F932-K973 HydrophobicContact CZ-CG 4.25Å; L969-K973 WeakPolarHBondContact O-CB 3.36Å; L969-K973 PolarHBondContact O-N 2.59Å; E970-K973 WeakPolarHBondContact O-CB 2.87Å; E970-K973 PolarHBondContact O-N 3.27Å; K973-G975 VanDerWaalsContact C-N 3.27Å; K973-G975 PolarHBondContact O-N 2.97Å
974M89.1Confident89.6Confident114 Ų11468.5 Ų68.556%0.56238%0.38SS*.THydrogen-bonded Turntrans-80.2-4.2177.5-64.4-17787.800113.8E970 L972 K976E970-M974 VanDerWaalsContact O-CG 3.31Å; E970-M974 WeakPolarHBondContact O-CG 3.31Å; E970-M974 PolarHBondContact O-N 2.79Å; L972-M974 VanDerWaalsContact C-N 3.26Å; L972-M974 PolarHBondContact O-N 3.28Å; M974-K976 HydrophobicContact CB-CB 4.42Å; M974-K976 HydrophobicContact CB-CD 4.1Å; M974-K976 HydrophobicContact CB-CG 4.01Å; M974-K976 HydrophobicContact CE-CD 4.32Å; M974-K976 PolarHBondContact O-N 3Å; M974-K976 HydrophobicContact SD-CD 4.38Å
975G85.8Confident89.5Confident29 Ų2966.8 Ų66.830%0.29937%0.367SS..THydrogen-bonded Turntrans64.521.9-175.100000113.8G971 L972 K973G971-G975 PolarHBondContact O-N 2.76Å; L972-G975 PolarHBondContact O-N 2.81Å; K973-G975 VanDerWaalsContact C-N 3.27Å; K973-G975 PolarHBondContact O-N 2.97Å
976K84.6Confident89.7Confident149 Ų14966.6 Ų66.665%0.64837%0.369SS*.  trans-99.5-10.2-175.8-69.1-177.3-179179.80113.3G971 M974 K978G971-K976 PolarHBondContact O-N 3.16Å; M974-K976 HydrophobicContact CB-CB 4.42Å; M974-K976 HydrophobicContact CB-CD 4.1Å; M974-K976 HydrophobicContact CB-CG 4.01Å; M974-K976 HydrophobicContact CE-CD 4.32Å; M974-K976 PolarHBondContact O-N 3Å; M974-K976 HydrophobicContact SD-CD 4.38Å; K976-K978 PolarHBondContact O-N 3.06Å
977L86.4Confident89.7Confident27 Ų2765.8 Ų65.814%0.14137%0.371CS..  trans-69.3113.9-179.2-141.693.6000110.5H960 L963 V968 G971H960-L977 VanDerWaalsContact CD2-CD2 3.48Å; H960-L977 WeakPolarHBondContact CD2-CD2 3.5Å; H960-L977 WeakPolarHBondContact NE2-CD2 3.16Å; L963-L977 HydrophobicContact CD1-CD1 4.47Å; V968-L977 HydrophobicContact CB-CD1 4.44Å; V968-L977 HydrophobicContact CG1-CD1 4.15Å; V968-L977 HydrophobicContact CG1-CD2 4.09Å; G971-L977 PolarHBondContact O-N 3.16Å
978K83.6Confident89.5Confident158 Ų15867.5 Ų67.569%0.68738%0.377SS*.  trans-139.1132.7171.9-67.6-169.6178.4-172.50110.1K976K976-K978 PolarHBondContact O-N 3.06Å
979L93.8Very high89.5Confident6 Ų667.8 Ų67.83%0.03138%0.378CS..PPolyproline II helixtrans-79.4137.1173.9-72.2166000110V947 W950 P959 H960 Y990 W997V947-L979 HydrophobicContact CG1-CD1 4.14Å; V947-L979 HydrophobicContact CG2-CD1 4.34Å; W950-L979 HydrophobicContact CB-CD1 4.12Å; W950-L979 HydrophobicContact CD2-CB 4.43Å; W950-L979 HydrophobicContact CD2-CD1 3.95Å; W950-L979 HydrophobicContact CD2-CD2 4.28Å; W950-L979 HydrophobicContact CD2-CG 4.45Å; W950-L979 HydrophobicContact CE3-CD1 4.33Å; W950-L979 HydrophobicContact CG-CB 4.18Å; W950-L979 HydrophobicContact CG-CD1 3.82Å; W950-L979 HydrophobicContact CG-CG 4.49Å; W950-L979 HydrophobicContact CZ2-CD2 4.22Å; P959-L979 HydrophobicContact CB-CD1 4.15Å; P959-L979 HydrophobicContact CB-CD2 3.98Å; H960-L979 VanDerWaalsContact CE1-CD2 3.47Å; H960-L979 WeakPolarHBondContact CE1-CD2 3.46Å; H960-L979 WeakPolarHBondContact NE2-CD2 3.25Å; H960-L979 WeakPolarHBondContact NE2-CG 3.48Å; L979-Y990 PolarHBondContact O-OH 3.02Å; L979-W997 HydrophobicContact CB-CH2 3.79Å; L979-W997 HydrophobicContact CB-CZ2 4.41Å; L979-W997 HydrophobicContact CB-CZ3 4.12Å; L979-W997 HydrophobicContact CD1-CH2 3.98Å; L979-W997 HydrophobicContact CD1-CZ2 3.78Å; L979-W997 HydrophobicContact CG-CH2 4.46Å
980P93.3Very high89.7Confident86 Ų8669.9 Ų69.956%0.55839%0.385SS*.PPolyproline II helixtrans-70.2159.817730.5-34.9000111.4W950 P982W950-P980 PolarHBondContact NE1-O 2.96Å; P980-P982 WeakPolarHBondContact O-CD 3.36Å
981A93.4Very high89.9Confident51 Ų5172.1 Ų72.142%0.42139%0.394SS..PPolyproline II helixtrans-62.6123.7173.900000110.5Y990A981-Y990 HydrophobicContact CB-CD1 3.82Å; A981-Y990 HydrophobicContact CB-CD2 3.76Å; A981-Y990 HydrophobicContact CB-CE1 3.84Å; A981-Y990 HydrophobicContact CB-CE2 3.78Å; A981-Y990 HydrophobicContact CB-CG 3.77Å; A981-Y990 PolarHBondContact N-OH 3.47Å
982P92.3Very high90.2Very high14 Ų1472 Ų729%0.09139%0.39CS..PPolyproline II helixtrans-63.5147.4176.4-21.231.7000112.2W950 F953 P980 G984 C985W950-P982 VanDerWaalsContact CD1-CG 3.47Å; W950-P982 HydrophobicContact CG-CG 4.08Å; F953-P982 HydrophobicContact CB-CB 3.87Å; F953-P982 HydrophobicContact CB-CG 3.81Å; P980-P982 WeakPolarHBondContact O-CD 3.36Å; P982-G984 PolarHBondContact O-N 2.92Å; P982-C985 HydrophobicContact CB-CB 4.16Å; P982-C985 HydrophobicContact CG-CB 4.41Å; P982-C985 WeakPolarHBondContact O-CB 3.48Å; P982-C985 PolarHBondContact O-N 3.26Å
983D84.9Confident90.5Very high159 Ų15971.9 Ų71.985%0.8539%0.389SS*.THydrogen-bonded Turntrans-58.6128.9177.3-68.7-23.6000111.4C985D983-C985 VanDerWaalsContact C-N 3.28Å; D983-C985 PolarHBondContact O-N 3.06Å
984G82.4Confident90.8Very high68 Ų6867.9 Ų67.970%0.70138%0.375SS*.THydrogen-bonded Turntrans74.98.6-177.800000115.3P982P982-G984 PolarHBondContact O-N 2.92Å
985C90Very high91.1Very high21 Ų2168.5 Ų68.514%0.14237%0.372CS..  trans-76.8127.2175.3-174.60000111.9F953 P982 D983 S987F953-C985 HydrophobicContact CB-CB 4.48Å; F953-C985 HydrophobicContact CD1-CB 3.79Å; F953-C985 HydrophobicContact CE1-CB 4.44Å; F953-C985 HydrophobicContact CG-CB 4.35Å; P982-C985 HydrophobicContact CB-CB 4.16Å; P982-C985 HydrophobicContact CG-CB 4.41Å; P982-C985 WeakPolarHBondContact O-CB 3.48Å; P982-C985 PolarHBondContact O-N 3.26Å; D983-C985 VanDerWaalsContact C-N 3.28Å; D983-C985 PolarHBondContact O-N 3.06Å; C985-S987 PolarHBondContact O-N 2.84Å
986P93.1Very high91.6Very high47 Ų4767.1 Ų67.131%0.30536%0.357SS..  trans-59.9138.1174.5-23.633.5000112.3T857 K988 I989 Y990T857-P986 HydrophobicContact CG2-CG 3.44Å; T857-P986 VanDerWaalsContact CG2-CG 3.44Å; P986-K988 PolarHBondContact O-N 3.22Å; P986-K988 VanDerWaalsContact O-N 3.12Å; P986-I989 HydrophobicContact CB-CB 4.41Å; P986-I989 HydrophobicContact CB-CG1 4.04Å; P986-I989 HydrophobicContact CG-CG1 4.19Å; P986-I989 WeakPolarHBondContact O-CA 3.46Å; P986-I989 WeakPolarHBondContact O-CB 3.3Å; P986-I989 PolarHBondContact O-N 3.46Å; P986-Y990 PolarHBondContact O-N 3.36Å; P986-Y990 VanDerWaalsContact O-N 3.09Å
987S90.3Very high92.1Very high83 Ų8361.4 Ų61.458%0.5833%0.332SS*.Hα-helixtrans-56.9-33.9-17764.40000113.7C985 K991C985-S987 PolarHBondContact O-N 2.84Å; S987-K991 WeakPolarHBondContact O-CB 3.4Å; S987-K991 VanDerWaalsContact O-CG 3.29Å; S987-K991 WeakPolarHBondContact O-CG 3.28Å; S987-K991 PolarHBondContact O-N 2.92Å
988K90.1Very high92.5Very high141 Ų14164 Ų6461%0.61334%0.343SS*.Hα-helixtrans-64.4-38.7174.8-69.4-175179.4178.90112.5P986 L992P986-K988 PolarHBondContact O-N 3.22Å; P986-K988 VanDerWaalsContact O-N 3.12Å; K988-L992 PolarHBondContact O-N 3.38Å; K988-L992 VanDerWaalsContact O-N 3.15Å
989I93.8Very high92.7Very high6 Ų661.1 Ų61.13%0.03134%0.335CS..Hα-helixtrans-70.9-44.2179.5-62.8-61.5000110.2V861 M949 F953 P986 K991 L992 M993 L1014V861-I989 HydrophobicContact CG2-CD1 3.98Å; V861-I989 HydrophobicContact CG2-CG1 4.24Å; M949-I989 HydrophobicContact CE-CG2 3.59Å; F953-I989 HydrophobicContact CD2-CG2 4.21Å; F953-I989 HydrophobicContact CE1-CG2 4.42Å; F953-I989 HydrophobicContact CE2-CG2 3.65Å; F953-I989 HydrophobicContact CZ-CB 4.47Å; F953-I989 HydrophobicContact CZ-CG1 4.38Å; F953-I989 HydrophobicContact CZ-CG2 3.76Å; P986-I989 HydrophobicContact CB-CB 4.41Å; P986-I989 HydrophobicContact CB-CG1 4.04Å; P986-I989 HydrophobicContact CG-CG1 4.19Å; P986-I989 WeakPolarHBondContact O-CA 3.46Å; P986-I989 WeakPolarHBondContact O-CB 3.3Å; P986-I989 PolarHBondContact O-N 3.46Å; I989-K991 VanDerWaalsContact C-N 3.35Å; I989-K991 PolarHBondContact O-N 2.82Å; I989-L992 WeakPolarHBondContact O-CB 3.41Å; I989-L992 PolarHBondContact O-N 3.37Å; I989-L992 VanDerWaalsContact O-N 3.11Å; I989-M993 HydrophobicContact CG2-CE 3.66Å; I989-M993 WeakPolarHBondContact O-CG 3.28Å; I989-M993 PolarHBondContact O-N 2.83Å; I989-L1014 HydrophobicContact CD1-CD2 3.84Å
990Y95.9Very high92.4Very high62 Ų6263.3 Ų63.324%0.24335%0.35CS..Hα-helixtrans-64-38.1175.3-176.5-113.6000112.6L979 A981 P986 L992 M993 V994 W997L979-Y990 PolarHBondContact O-OH 3.02Å; A981-Y990 HydrophobicContact CB-CD1 3.82Å; A981-Y990 HydrophobicContact CB-CD2 3.76Å; A981-Y990 HydrophobicContact CB-CE1 3.84Å; A981-Y990 HydrophobicContact CB-CE2 3.78Å; A981-Y990 HydrophobicContact CB-CG 3.77Å; A981-Y990 PolarHBondContact N-OH 3.47Å; P986-Y990 PolarHBondContact O-N 3.36Å; P986-Y990 VanDerWaalsContact O-N 3.09Å; Y990-L992 VanDerWaalsContact C-N 3.26Å; Y990-L992 PolarHBondContact O-N 3.21Å; Y990-M993 HydrophobicContact CD2-SD 3.96Å; Y990-M993 WeakPolarHBondContact O-CB 3.31Å; Y990-M993 PolarHBondContact O-N 3.44Å; Y990-V994 HydrophobicContact CD1-CG2 4.28Å; Y990-V994 HydrophobicContact CE1-CG2 3.9Å; Y990-V994 HydrophobicContact CE2-CG2 4.27Å; Y990-V994 WeakPolarHBondContact O-CG2 3.46Å; Y990-V994 PolarHBondContact O-N 2.92Å; Y990-W997 HydrophobicContact CE2-CZ3 4.32Å
991K94.9Very high92.2Very high145 Ų14562.2 Ų62.263%0.6334%0.34SS*.Hα-helixtrans-59.5-36.8171.8-77.4176.6-178.8-176.20112.5S987 I989 R995S987-K991 WeakPolarHBondContact O-CB 3.4Å; S987-K991 VanDerWaalsContact O-CG 3.29Å; S987-K991 WeakPolarHBondContact O-CG 3.28Å; S987-K991 PolarHBondContact O-N 2.92Å; I989-K991 VanDerWaalsContact C-N 3.35Å; I989-K991 PolarHBondContact O-N 2.82Å; K991-R995 WeakPolarHBondContact O-CG 3.33Å; K991-R995 PolarHBondContact O-N 2.79Å; K991-R995 VanDerWaalsContact O-N 3.1Å
992L95.8Very high91.7Very high12 Ų1268.8 Ų68.86%0.06336%0.358CS..Hα-helixtrans-67.1-42.1175-176.660.3000111.5M949 K988 I989 Y990 V994 R995 C996 I1010 A1013 L1014M949-L992 HydrophobicContact CE-CD2 4.23Å; M949-L992 HydrophobicContact SD-CD2 4.42Å; K988-L992 PolarHBondContact O-N 3.38Å; K988-L992 VanDerWaalsContact O-N 3.15Å; I989-L992 WeakPolarHBondContact O-CB 3.41Å; I989-L992 PolarHBondContact O-N 3.37Å; I989-L992 VanDerWaalsContact O-N 3.11Å; Y990-L992 VanDerWaalsContact C-N 3.26Å; Y990-L992 PolarHBondContact O-N 3.21Å; L992-V994 PolarHBondContact O-N 3.38Å; L992-R995 PolarHBondContact O-N 2.94Å; L992-C996 PolarHBondContact O-N 2.97Å; L992-C996 VanDerWaalsContact O-N 3.12Å; L992-C996 PolarHBondContact O-SG 2.81Å; L992-I1010 HydrophobicContact CD1-CG1 4.44Å; L992-I1010 HydrophobicContact CD2-CG2 4.5Å; L992-A1013 HydrophobicContact CD1-CB 4.31Å; L992-A1013 HydrophobicContact CD2-CB 4.06Å; L992-L1014 HydrophobicContact CD2-CD2 4.05Å; L992-L1014 HydrophobicContact CD2-CG 4.03Å
993M96.9Very high91.7Very high0 Ų073.9 Ų73.90%038%0.381CS..Hα-helixtrans-57.8-47.4173.6-62.9164.4-17800111.2M949 W950 F953 I989 Y990 R995 C996 W997M949-M993 HydrophobicContact CB-CE 3.7Å; M949-M993 HydrophobicContact CB-CG 3.9Å; M949-M993 HydrophobicContact CE-CE 4.27Å; M949-M993 HydrophobicContact CE-CG 4.21Å; M949-M993 WeakPolarHBondContact O-CE 3.38Å; M949-M993 HydrophobicContact SD-CG 4.33Å; W950-M993 HydrophobicContact CB-SD 4.45Å; F953-M993 HydrophobicContact CB-CE 4.19Å; F953-M993 HydrophobicContact CD2-CE 3.66Å; F953-M993 HydrophobicContact CE2-CE 4.33Å; F953-M993 HydrophobicContact CG-CE 4.03Å; I989-M993 HydrophobicContact CG2-CE 3.66Å; I989-M993 WeakPolarHBondContact O-CG 3.28Å; I989-M993 PolarHBondContact O-N 2.83Å; Y990-M993 HydrophobicContact CD2-SD 3.96Å; Y990-M993 WeakPolarHBondContact O-CB 3.31Å; Y990-M993 PolarHBondContact O-N 3.44Å; M993-R995 VanDerWaalsContact C-N 3.32Å; M993-R995 PolarHBondContact O-N 2.98Å; M993-C996 WeakPolarHBondContact O-CA 3.33Å; M993-C996 VanDerWaalsContact O-CB 3.29Å; M993-C996 WeakPolarHBondContact O-CB 3.3Å; M993-C996 PolarHBondContact O-N 3.33Å; M993-W997 HydrophobicContact CB-CE3 4.37Å; M993-W997 HydrophobicContact CB-CH2 3.72Å; M993-W997 HydrophobicContact CB-CZ2 4.15Å; M993-W997 HydrophobicContact CB-CZ3 3.84Å; M993-W997 HydrophobicContact CG-CH2 4.46Å; M993-W997 VanDerWaalsContact O-CD2 3.31Å; M993-W997 PolarHBondContact O-N 2.73Å
994V95.8Very high92.2Very high47 Ų4766.4 Ų66.429%0.28534%0.341SS..Hα-helixtrans-59.9-40.7178.3173.30000112Y990 L992 C996 W997 E998Y990-V994 HydrophobicContact CD1-CG2 4.28Å; Y990-V994 HydrophobicContact CE1-CG2 3.9Å; Y990-V994 HydrophobicContact CE2-CG2 4.27Å; Y990-V994 WeakPolarHBondContact O-CG2 3.46Å; Y990-V994 PolarHBondContact O-N 2.92Å; L992-V994 PolarHBondContact O-N 3.38Å; V994-C996 VanDerWaalsContact C-N 3.27Å; V994-C996 PolarHBondContact O-N 3.2Å; V994-W997 HydrophobicContact CG2-CE3 4.49Å; V994-W997 CarbonylContact O-C 3.49Å; V994-W997 PolarHBondContact O-N 2.99Å; V994-E998 PolarHBondContact O-N 3.43Å
995R95.8Very high92.8Very high128 Ų12863.4 Ų63.448%0.48331%0.309SS..Hα-helixtrans-63.9-30.7174.6-73.5179.366.6-161.7-0.6113.1K991 L992 M993 W997 P1005K991-R995 WeakPolarHBondContact O-CG 3.33Å; K991-R995 PolarHBondContact O-N 2.79Å; K991-R995 VanDerWaalsContact O-N 3.1Å; L992-R995 PolarHBondContact O-N 2.94Å; M993-R995 VanDerWaalsContact C-N 3.32Å; M993-R995 PolarHBondContact O-N 2.98Å; R995-W997 PolarHBondContact O-N 3.33Å; R995-P1005 WeakPolarHBondContact O-CD 3.32Å
996C96.6Very high92.9Very high0 Ų064.2 Ų64.20%032%0.315CS..Hα-helixtrans-69.4-26.4174-62.20000112V942 W943 L992 M993 V994 R1004V942-C996 HydrophobicContact CG1-CB 3.98Å; V942-C996 WeakPolarHBondContact O-CB 3.36Å; W943-C996 WeakPolarHBondContact CA-O 3.2Å; L992-C996 PolarHBondContact O-N 2.97Å; L992-C996 VanDerWaalsContact O-N 3.12Å; L992-C996 PolarHBondContact O-SG 2.81Å; M993-C996 WeakPolarHBondContact O-CA 3.33Å; M993-C996 VanDerWaalsContact O-CB 3.29Å; M993-C996 WeakPolarHBondContact O-CB 3.3Å; M993-C996 PolarHBondContact O-N 3.33Å; V994-C996 VanDerWaalsContact C-N 3.27Å; V994-C996 PolarHBondContact O-N 3.2Å; C996-R1004 WeakPolarHBondContact O-CD 3.45Å
997W95.3Very high93Very high29 Ų2962.1 Ų62.111%0.1130%0.301CS..THydrogen-bonded Turntrans-96.822.2179.3-53.7-42.3000114.3W943 G946 V947 W950 L979 Y990 M993 V994 R995W943-W997 HydrophobicContact CD2-CB 4.41Å; W943-W997 AromaticContact CD2-CD1 3.72Å; W943-W997 HydrophobicContact CD2-CG 4.44Å; W943-W997 AromaticContact CE2-CD1 3.82Å; W943-W997 VanDerWaalsContact CE3-CA 3.43Å; W943-W997 HydrophobicContact CE3-CB 4.09Å; W943-W997 AromaticContact CG-CD1 3.91Å; W943-W997 HydrophobicContact CH2-CB 4.09Å; W943-W997 HydrophobicContact CZ2-CB 4.41Å; W943-W997 VanDerWaalsContact CZ3-C 3.4Å; W943-W997 HydrophobicContact CZ3-CB 3.93Å; W943-W997 WeakPolarHBondContact CZ3-O 3.48Å; W943-W997 PolarHBondContact O-NE1 3.33Å; G946-W997 WeakPolarHBondContact O-CZ2 3.32Å; V947-W997 HydrophobicContact CG2-CZ2 4.32Å; W950-W997 HydrophobicContact CB-CH2 4.09Å; W950-W997 HydrophobicContact CB-CZ2 4.13Å; W950-W997 HydrophobicContact CG-CH2 4.39Å; L979-W997 HydrophobicContact CB-CH2 3.79Å; L979-W997 HydrophobicContact CB-CZ2 4.41Å; L979-W997 HydrophobicContact CB-CZ3 4.12Å; L979-W997 HydrophobicContact CD1-CH2 3.98Å; L979-W997 HydrophobicContact CD1-CZ2 3.78Å; L979-W997 HydrophobicContact CG-CH2 4.46Å; Y990-W997 HydrophobicContact CE2-CZ3 4.32Å; M993-W997 HydrophobicContact CB-CE3 4.37Å; M993-W997 HydrophobicContact CB-CH2 3.72Å; M993-W997 HydrophobicContact CB-CZ2 4.15Å; M993-W997 HydrophobicContact CB-CZ3 3.84Å; M993-W997 HydrophobicContact CG-CH2 4.46Å; M993-W997 VanDerWaalsContact O-CD2 3.31Å; M993-W997 PolarHBondContact O-N 2.73Å; V994-W997 HydrophobicContact CG2-CE3 4.49Å; V994-W997 CarbonylContact O-C 3.49Å; V994-W997 PolarHBondContact O-N 2.99Å; R995-W997 PolarHBondContact O-N 3.33Å
998E94.2Very high93Very high81 Ų8160.7 Ų60.738%0.37929%0.289SS..  trans-67137.5171.9-79.7-62.7163.300111V994 S1000 E1003 R1004V994-E998 PolarHBondContact O-N 3.43Å; E998-S1000 VanDerWaalsContact C-N 3.27Å; E998-S1000 PolarHBondContact O-N 2.96Å; E998-E1003 HydrophobicContact CB-CB 3.89Å; E998-E1003 HydrophobicContact CG-CB 3.98Å; E998-R1004 HydrophobicContact CB-CG 4.16Å; E998-R1004 PolarHBondContact O-NE 2.92Å; E998-R1004 PolarHBondContact O-NH2 3.29Å
999L88.5Confident93.2Very high98 Ų9857.8 Ų57.851%0.51328%0.28SS..SBendtrans-66.8-33.8179.1-67.8174000111.2L1001L999-L1001 PolarHBondContact O-N 3.36Å
1000S88.2Confident93.3Very high51 Ų5157.5 Ų57.536%0.35728%0.279SS..SBendtrans-78.2120.5174.5175.70000111E998 K1002 E1003 R1004E998-S1000 VanDerWaalsContact C-N 3.27Å; E998-S1000 PolarHBondContact O-N 2.96Å; S1000-K1002 PolarHBondContact O-N 2.88Å; S1000-K1002 VanDerWaalsContact O-N 3.13Å; S1000-K1002 PolarHBondContact OG-N 2.98Å; S1000-E1003 PolarHBondContact O-N 2.87Å; S1000-R1004 PolarHBondContact O-N 3.25Å
1001L88.3Confident93.2Very high64 Ų6455.4 Ų55.434%0.33527%0.272SS..THydrogen-bonded Turntrans-55.8-30175.4-62.4176.4000113.3E929 K939 L999E929-L1001 HydrophobicContact CG-CD2 4.4Å; E929-L1001 WeakPolarHBondContact OE1-CD2 3.4Å; K939-L1001 HydrophobicContact CB-CD2 3.9Å; L999-L1001 PolarHBondContact O-N 3.36Å
1002K83.7Confident93Very high188 Ų18852.6 Ų52.682%0.81726%0.264SS*.THydrogen-bonded Turntrans-73.1-30.4-179.9-65.3-176.3-179178.90112.6S1000S1000-K1002 PolarHBondContact O-N 2.88Å; S1000-K1002 VanDerWaalsContact O-N 3.13Å; S1000-K1002 PolarHBondContact OG-N 2.98Å
1003E91.8Very high92.7Very high121 Ų12153.7 Ų53.757%0.56528%0.275SS*.THydrogen-bonded Turntrans-83.5-22-178.4-61.7-56.6140.800112.3E998 S1000E998-E1003 HydrophobicContact CB-CB 3.89Å; E998-E1003 HydrophobicContact CG-CB 3.98Å; S1000-E1003 PolarHBondContact O-N 2.87Å
1004R94.3Very high92.4Very high3 Ų354.1 Ų54.11%0.01128%0.277CS..SBendtrans-63.3134.7171.9-64.3-173.7-163.7161.410.4109.8E929 K939 V942 C996 E998 S1000E929-R1004 IonicContact OE1-CZ 2.74Å; E929-R1004 IonicContact OE1-NH1 3.19Å; E929-R1004 PolarHBondContact OE1-NH1 3.1Å; E929-R1004 IonicContact OE1-NH2 3.76Å; E929-R1004 PolarHBondContact OE1-NH2 3.38Å; E929-R1004 IonicContact OE2-NH2 2.85Å; E929-R1004 PolarHBondContact OE2-NH2 2.62Å; K939-R1004 HydrophobicContact CD-CB 4.19Å; K939-R1004 PolarHBondContact NZ-O 2.85Å; K939-R1004 WeakPolarHBondContact O-CD 3.47Å; K939-R1004 PolarHBondContact O-NH1 3.4Å; V942-R1004 HydrophobicContact CG1-CB 4.11Å; C996-R1004 WeakPolarHBondContact O-CD 3.45Å; E998-R1004 HydrophobicContact CB-CG 4.16Å; E998-R1004 PolarHBondContact O-NE 2.92Å; E998-R1004 PolarHBondContact O-NH2 3.29Å; S1000-R1004 PolarHBondContact O-N 3.25Å
1005P95.3Very high91.4Very high4 Ų454 Ų543%0.02629%0.286CS..PPolyproline II helixtrans-64.5165.7177.626.6-33.5000112.2K939 V942 R995 D1009 I1010K939-P1005 PolarHBondContact NZ-O 3.44Å; K939-P1005 VanDerWaalsContact NZ-O 3.13Å; V942-P1005 HydrophobicContact CG1-CG 4.2Å; R995-P1005 WeakPolarHBondContact O-CD 3.32Å; P1005-D1009 HydrophobicContact CB-CB 3.95Å; P1005-I1010 HydrophobicContact CB-CG1 4.06Å; P1005-I1010 HydrophobicContact CG-CD1 4.04Å; P1005-I1010 HydrophobicContact CG-CG1 3.8Å
1006S93.4Very high89.8Confident39 Ų3954.3 Ų54.327%0.27330%0.297SS..PPolyproline II helixtrans-83.3162.5163.369.40000110.8T1008 D1009 I1010S1006-T1008 PolarHBondContact O-N 3.39Å; S1006-D1009 WeakPolarHBondContact CB-OD2 3.3Å; S1006-D1009 PolarHBondContact N-OD2 3.45Å; S1006-D1009 WeakPolarHBondContact O-CB 3.23Å; S1006-D1009 PolarHBondContact O-N 2.95Å; S1006-D1009 VanDerWaalsContact O-N 3.12Å; S1006-D1009 PolarHBondContact OG-N 2.98Å; S1006-D1009 VanDerWaalsContact OG-N 3.13Å; S1006-D1009 PolarHBondContact OG-OD2 2.71Å; S1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; S1006-I1010 PolarHBondContact O-N 2.88Å
1007F94.6Very high87.9Confident3 Ų357.9 Ų57.91%0.01331%0.314CS..Hα-helixtrans-61-31.1173.3-81.9-69.1000112.5M871 E872 L884 D941 V942 F945 I1010 V1011M871-F1007 HydrophobicContact CB-CD1 3.48Å; M871-F1007 VanDerWaalsContact CB-CD1 3.48Å; M871-F1007 HydrophobicContact CB-CD2 4.03Å; M871-F1007 HydrophobicContact CB-CE1 3.29Å; M871-F1007 HydrophobicContact CB-CE2 3.86Å; M871-F1007 HydrophobicContact CB-CG 3.86Å; M871-F1007 HydrophobicContact CB-CZ 3.5Å; M871-F1007 HydrophobicContact CE-CE2 3.95Å; M871-F1007 HydrophobicContact CE-CZ 3.87Å; M871-F1007 HydrophobicContact CG-CD1 4.49Å; M871-F1007 HydrophobicContact CG-CE1 3.86Å; M871-F1007 HydrophobicContact CG-CZ 3.91Å; E872-F1007 HydrophobicContact CB-CB 3.91Å; L884-F1007 HydrophobicContact CD2-CZ 4.46Å; D941-F1007 HydrophobicContact CB-CE2 3.94Å; D941-F1007 HydrophobicContact CB-CZ 4.05Å; V942-F1007 HydrophobicContact CG2-CD2 3.95Å; V942-F1007 HydrophobicContact CG2-CE1 4.39Å; V942-F1007 HydrophobicContact CG2-CE2 3.7Å; V942-F1007 HydrophobicContact CG2-CG 4.4Å; V942-F1007 HydrophobicContact CG2-CZ 3.93Å; F945-F1007 HydrophobicContact CB-CE1 3.78Å; F945-F1007 HydrophobicContact CB-CZ 4.05Å; F945-F1007 HydrophobicContact CD1-CE1 4.33Å; F945-F1007 AromaticContact CD2-CE1 3.99Å; F945-F1007 HydrophobicContact CD2-CE1 3.99Å; F945-F1007 AromaticContact CG-CE1 3.76Å; F945-F1007 HydrophobicContact CG-CE1 3.76Å; F1007-I1010 HydrophobicContact CD1-CD1 4.1Å; F1007-I1010 HydrophobicContact CE1-CD1 4.38Å; F1007-I1010 PolarHBondContact O-N 3.33Å; F1007-V1011 VanDerWaalsContact O-CG2 3.29Å; F1007-V1011 WeakPolarHBondContact O-CG2 3.32Å; F1007-V1011 PolarHBondContact O-N 2.92Å
1008T91.1Very high85.2Confident52 Ų5261.4 Ų61.432%0.31934%0.34SS..Hα-helixtrans-62.9-44.6171.5-580000112.1E872 S1006 I1010 V1011 N1012E872-T1008 WeakPolarHBondContact OE1-CA 3.02Å; E872-T1008 VanDerWaalsContact OE1-CB 3.24Å; E872-T1008 WeakPolarHBondContact OE1-CB 3.47Å; E872-T1008 WeakPolarHBondContact OE1-CG2 3.4Å; E872-T1008 PolarHBondContact OE1-OG1 2.65Å; S1006-T1008 PolarHBondContact O-N 3.39Å; T1008-I1010 VanDerWaalsContact C-N 3.28Å; T1008-I1010 PolarHBondContact O-N 2.96Å; T1008-V1011 PolarHBondContact O-N 3.47Å; T1008-N1012 VanDerWaalsContact O-CG 3.25Å; T1008-N1012 PolarHBondContact O-N 3.45Å; T1008-N1012 PolarHBondContact O-ND2 3.2Å
1009D92.8Very high82.5Confident81 Ų8161.7 Ų61.743%0.43335%0.352SS..Hα-helixtrans-62.4-38.3175.6-57.7-46.8000111.6P1005 S1006 A1013P1005-D1009 HydrophobicContact CB-CB 3.95Å; S1006-D1009 WeakPolarHBondContact CB-OD2 3.3Å; S1006-D1009 PolarHBondContact N-OD2 3.45Å; S1006-D1009 WeakPolarHBondContact O-CB 3.23Å; S1006-D1009 PolarHBondContact O-N 2.95Å; S1006-D1009 VanDerWaalsContact O-N 3.12Å; S1006-D1009 PolarHBondContact OG-N 2.98Å; S1006-D1009 VanDerWaalsContact OG-N 3.13Å; S1006-D1009 PolarHBondContact OG-OD2 2.71Å; D1009-A1013 VanDerWaalsContact O-CB 3.29Å; D1009-A1013 WeakPolarHBondContact O-CB 3.26Å; D1009-A1013 PolarHBondContact O-N 3.31Å
1010I95.3Very high80.1Confident0 Ų064 Ų640%037%0.365CS..Hα-helixtrans-66.5-45.8177.2-67.7169.2000111A868 V942 F945 L992 P1005 S1006 F1007 T1008 N1012 A1013 L1014A868-I1010 HydrophobicContact CB-CG2 3.87Å; V942-I1010 HydrophobicContact CG1-CD1 4.05Å; V942-I1010 HydrophobicContact CG2-CD1 4.2Å; F945-I1010 HydrophobicContact CD1-CD1 3.97Å; F945-I1010 HydrophobicContact CD1-CG2 4.08Å; F945-I1010 HydrophobicContact CE1-CD1 4.29Å; F945-I1010 HydrophobicContact CE1-CG2 3.33Å; F945-I1010 HydrophobicContact CZ-CG2 3.87Å; L992-I1010 HydrophobicContact CD1-CG1 4.44Å; L992-I1010 HydrophobicContact CD2-CG2 4.5Å; P1005-I1010 HydrophobicContact CB-CG1 4.06Å; P1005-I1010 HydrophobicContact CG-CD1 4.04Å; P1005-I1010 HydrophobicContact CG-CG1 3.8Å; S1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; S1006-I1010 PolarHBondContact O-N 2.88Å; F1007-I1010 HydrophobicContact CD1-CD1 4.1Å; F1007-I1010 HydrophobicContact CE1-CD1 4.38Å; F1007-I1010 PolarHBondContact O-N 3.33Å; T1008-I1010 VanDerWaalsContact C-N 3.28Å; T1008-I1010 PolarHBondContact O-N 2.96Å; I1010-N1012 VanDerWaalsContact C-N 3.32Å; I1010-N1012 PolarHBondContact O-N 3.06Å; I1010-A1013 PolarHBondContact O-N 3.14Å; I1010-L1014 HydrophobicContact CG2-CD1 3.78Å; I1010-L1014 HydrophobicContact CG2-CG 4.48Å; I1010-L1014 WeakPolarHBondContact O-CB 3.43Å; I1010-L1014 WeakPolarHBondContact O-CG 3.37Å; I1010-L1014 PolarHBondContact O-N 3.01Å
1011V94.8Very high77.5Confident18 Ų1866 Ų6611%0.10938%0.379CS..Hα-helixtrans-59.6-44.3177.5168.40000110.4A868 R869 E872 F1007 T1008 L1014 G1015A868-V1011 HydrophobicContact CB-CG2 3.7Å; R869-V1011 HydrophobicContact CG-CG1 4.06Å; R869-V1011 HydrophobicContact CG-CG2 4.01Å; E872-V1011 HydrophobicContact CB-CG2 4.26Å; F1007-V1011 VanDerWaalsContact O-CG2 3.29Å; F1007-V1011 WeakPolarHBondContact O-CG2 3.32Å; F1007-V1011 PolarHBondContact O-N 2.92Å; T1008-V1011 PolarHBondContact O-N 3.47Å; V1011-L1014 PolarHBondContact O-N 3.43Å; V1011-G1015 PolarHBondContact O-N 3.14Å
1012N90.4Very high75Confident85 Ų8573.3 Ų73.346%0.45541%0.408SS..Hα-helixtrans-62.8-47.7176-67.3-23.3000111.5T1008 I1010 L1014 G1015 D1016T1008-N1012 VanDerWaalsContact O-CG 3.25Å; T1008-N1012 PolarHBondContact O-N 3.45Å; T1008-N1012 PolarHBondContact O-ND2 3.2Å; I1010-N1012 VanDerWaalsContact C-N 3.32Å; I1010-N1012 PolarHBondContact O-N 3.06Å; N1012-L1014 VanDerWaalsContact C-N 3.27Å; N1012-L1014 PolarHBondContact O-N 3.43Å; N1012-G1015 PolarHBondContact O-N 3.48Å; N1012-D1016 PolarHBondContact O-N 3.18Å
1013A90.8Very high72.6Confident36 Ų3674.2 Ų74.230%0.29843%0.428SS..Hα-helixtrans-61.5-32.2179.400000113.7L992 D1009 I1010L992-A1013 HydrophobicContact CD1-CB 4.31Å; L992-A1013 HydrophobicContact CD2-CB 4.06Å; D1009-A1013 VanDerWaalsContact O-CB 3.29Å; D1009-A1013 WeakPolarHBondContact O-CB 3.26Å; D1009-A1013 PolarHBondContact O-N 3.31Å; I1010-A1013 PolarHBondContact O-N 3.14Å
1014L89.3Confident71.6Confident8 Ų871.9 Ų71.94%0.04242%0.422CS..Hα-helixtrans-84-22.4175.1-67.1169.3000112.8V861 C864 A865 A868 F945 M949 I989 L992 I1010 V1011 N1012V861-L1014 HydrophobicContact CG1-CD2 4.23Å; C864-L1014 HydrophobicContact CB-CD1 4.11Å; A865-L1014 HydrophobicContact CB-CB 4.12Å; A868-L1014 HydrophobicContact CB-CD1 4.11Å; F945-L1014 HydrophobicContact CE1-CD1 4.48Å; F945-L1014 HydrophobicContact CZ-CD1 4.14Å; M949-L1014 HydrophobicContact CE-CD2 4.11Å; I989-L1014 HydrophobicContact CD1-CD2 3.84Å; L992-L1014 HydrophobicContact CD2-CD2 4.05Å; L992-L1014 HydrophobicContact CD2-CG 4.03Å; I1010-L1014 HydrophobicContact CG2-CD1 3.78Å; I1010-L1014 HydrophobicContact CG2-CG 4.48Å; I1010-L1014 WeakPolarHBondContact O-CB 3.43Å; I1010-L1014 WeakPolarHBondContact O-CG 3.37Å; I1010-L1014 PolarHBondContact O-N 3.01Å; V1011-L1014 PolarHBondContact O-N 3.43Å; N1012-L1014 VanDerWaalsContact C-N 3.27Å; N1012-L1014 PolarHBondContact O-N 3.43Å
1015G75.6Confident70.5Confident46 Ų4675.5 Ų75.547%0.47444%0.443SS..Hα-helixtrans-81.1-33178.600000114.7V1011 N1012 Q1017V1011-G1015 PolarHBondContact O-N 3.14Å; N1012-G1015 PolarHBondContact O-N 3.48Å; G1015-Q1017 PolarHBondContact O-N 3.18Å; G1015-Q1017 VanDerWaalsContact O-N 3.1Å
1016D61.1Low69.1Low133 Ų13379.5 Ų79.571%0.71147%0.466SS*.SBendtrans-76.313.6-176.6-74.7-21.6000115.1N1012 P1018N1012-D1016 PolarHBondContact O-N 3.18Å; D1016-P1018 WeakPolarHBondContact O-CD 3.41Å
1017Q56.4Low67.6Low76 Ų7681.9 Ų81.936%0.35548%0.478SS..  trans-91.2108.7178.5-64.1-71.1-45.500110.5G1015G1015-Q1017 PolarHBondContact O-N 3.18Å; G1015-Q1017 VanDerWaalsContact O-N 3.1Å
1018P39.3Very low66Low102 Ų10286.8 Ų86.866%0.66251%0.507SS*.  trans-64.5144.9174.626.2-33000110.8D1016 D1020D1016-P1018 WeakPolarHBondContact O-CD 3.41Å; P1018-D1020 PolarHBondContact O-N 3.4Å
1019S37.8Very low64.3Low88 Ų8889.1 Ų89.162%0.61552%0.519SS*.SBendtrans-63.97.6-172.845.10000116.9
1020D39.1Very low62.2Low147 Ų14789.7 Ų89.779%0.78653%0.525SS*.  trans-142.794.1179.8-80-47.8000110.9P1018P1018-D1020 PolarHBondContact O-N 3.4Å
1021S32Very low59.7Low93 Ų9396.6 Ų96.665%0.6557%0.566SS**  trans-134.4106.5150.764.60000107.3V1023S1021-V1023 PolarHBondContact O-N 3.28Å; S1021-V1023 VanDerWaalsContact O-N 3.1Å
1022K35.4Very low56.8Low217 Ų217103.2 Ų103.294%0.94360%0.604SS**  trans-51.1113.5173.5-71.6178.8175.5178.80109.6
1023V34.1Very low53.7Low207 Ų207104.8 Ų104.8100%1.25562%0.617SS**  trans-132.80151.1179.70000106.2S1021S1021-V1023 PolarHBondContact O-N 3.28Å; S1021-V1023 VanDerWaalsContact O-N 3.1Å

Retrieved 1,023 of 1,023 residues in 243 ms (Link to these results)

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