A0A087X7P9_POEFO Loading...

Membrane-associated phosphatidylinositol transfer protein 3

Catalyzes the transfer of phosphatidylinositol and phosphatidylcholine between membranes (in vitro). Binds calcium ions.

AlphaFold DB , UniProt , Accession A0A087X7P9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 851 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
1E34.9Very low37.9Very low236 Ų236156.2 Ų156.2100%1.10383%0.829SS**  0163.20-72.2146.1112.400110.1
2Q33.3Very low40.2Very low192 Ų192144.3 Ų144.390%0.89777%0.768SS**  trans53.978.2168.2-62.9-176.78.500117
3S28.6Very low42.6Very low112 Ų112144.3 Ų144.378%0.78376%0.757SS**  trans-67126148.1480000109.8E5S3-E5 PolarHBondContact O-N 3.05Å; S3-E5 VanDerWaalsContact O-N 3.12Å
4T36.5Very low45.2Very low143 Ų143134.5 Ų134.588%0.87771%0.706SS**  trans-65.3103.2171.241.20000111.1A6T4-A6 PolarHBondContact O-N 2.68Å
5E32Very low47.5Very low185 Ų185132.2 Ų132.286%0.86469%0.69SS**PPolyproline II helixtrans-70.1117.9162.7-75.1-170140.100109.3S3 C7S3-E5 PolarHBondContact O-N 3.05Å; S3-E5 VanDerWaalsContact O-N 3.12Å; E5-C7 PolarHBondContact O-N 2.81Å
6A35Very low50.1Low94 Ų94124 Ų12478%0.77765%0.647SS**PPolyproline II helixtrans-68123.4168.800000108.9T4T4-A6 PolarHBondContact O-N 2.68Å
7C30.2Very low52.6Low114 Ų114116.7 Ų116.777%0.7761%0.609SS**PPolyproline II helixtrans-59.1125.4173.1-170.70000109E5 D9E5-C7 PolarHBondContact O-N 2.81Å; C7-D9 PolarHBondContact O-N 2.68Å
8P38.5Very low54.9Low100 Ų100110.2 Ų110.265%0.64958%0.575SS**PPolyproline II helixtrans-69133177.628-33.3000109.8R10P8-R10 PolarHBondContact O-N 3.3Å
9D41.8Very low57.1Low155 Ų155104.4 Ų104.483%0.82955%0.545SS*.  trans-51.7103.9171.8-92.8-32.4000110C7 K11C7-D9 PolarHBondContact O-N 2.68Å; D9-K11 VanDerWaalsContact C-N 3.28Å; D9-K11 PolarHBondContact O-N 2.81Å
10R47.3Very low59.1Low198 Ų19899.2 Ų99.275%0.74752%0.518SS*.  trans-71.385.8174.4-76.9-172.6172.4-164.2-1.9109P8 C12P8-R10 PolarHBondContact O-N 3.3Å; R10-C12 PolarHBondContact O-N 3.21Å
11K58.4Low60.8Low189 Ų18994.5 Ų94.582%0.82249%0.493SS*.  trans-60.9124.1167.6-68.4-179178.5177.70108.9D9D9-K11 VanDerWaalsContact C-N 3.28Å; D9-K11 PolarHBondContact O-N 2.81Å
12C65.5Low63.6Low14 Ų1483.4 Ų83.410%0.09544%0.441CS..  trans-59.5141.5173.4-173.60000110.4R10 T14 D139 Q141 G142R10-C12 PolarHBondContact O-N 3.21Å; C12-T14 PolarHBondContact SG-N 3.01Å; C12-T14 VanDerWaalsContact SG-N 3.42Å; C12-D139 PolarHBondContact SG-O 3.14Å; C12-Q141 VanDerWaalsContact CB-O 3.31Å; C12-Q141 WeakPolarHBondContact CB-O 3.37Å; C12-G142 VanDerWaalsContact CB-C 3.48Å; C12-G142 WeakPolarHBondContact CB-O 3.43Å
13K71.7Confident66.2Low144 Ų14474.3 Ų74.363%0.62640%0.399SS*.SBendtrans-72.3-36.2174.3-63.8-173.4176.4-167.90111.8H15K13-H15 PolarHBondContact O-CD2 2.9Å; K13-H15 PolarHBondContact O-N 3.24Å
14T78.7Confident69Low7 Ų769 Ų694%0.04336%0.362CS..  trans-74.3121.3176.8-52.60000109.9C12 V16 M64 F134 D139 F143C12-T14 PolarHBondContact SG-N 3.01Å; C12-T14 VanDerWaalsContact SG-N 3.42Å; T14-V16 WeakPolarHBondContact CG2-O 3.41Å; T14-M64 HydrophobicContact CG2-CB 3.52Å; T14-F134 HydrophobicContact CG2-CE2 4.25Å; T14-F134 HydrophobicContact CG2-CZ 3.73Å; T14-D139 WeakPolarHBondContact CB-O 3.43Å; T14-D139 PolarHBondContact OG1-O 3.43Å; T14-F143 HydrophobicContact CG2-CE2 4.5Å; T14-F143 WeakPolarHBondContact O-CD2 3.06Å
15H80.6Confident71.3Confident100 Ų10062.6 Ų62.646%0.46332%0.322SS..  trans-102.5-26.9173-75.1-85.5000112.7K13 H62K13-H15 PolarHBondContact O-CD2 2.9Å; K13-H15 PolarHBondContact O-N 3.24Å; H15-H62 HydrophobicContact CB-CB 4.3Å; H15-H62 AromaticContact CD2-CD2 3.28Å; H15-H62 PolarHBondContact CD2-CD2 2.81Å; H15-H62 AromaticContact CD2-CG 3.8Å; H15-H62 AromaticContact CD2-NE2 3.83Å; H15-H62 PolarHBondContact N-O 2.89Å; H15-H62 AromaticContact NE2-CD2 3.97Å
16V88.4Confident73.9Confident1 Ų153.9 Ų53.91%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-128.7128.6-178.6-1740000110.1T14 H62 V63 M64 Q147 L484 M485T14-V16 WeakPolarHBondContact CG2-O 3.41Å; V16-H62 PolarHBondContact N-O 2.92Å; V16-V63 HydrophobicContact CB-CG1 4.44Å; V16-V63 HydrophobicContact CB-CG2 4.25Å; V16-V63 WeakPolarHBondContact O-CA 3.2Å; V16-M64 PolarHBondContact O-N 3.28Å; V16-Q147 HydrophobicContact CG1-CG 4.34Å; V16-Q147 HydrophobicContact CG2-CG 4.17Å; V16-L484 HydrophobicContact CG1-CD1 4.1Å; V16-L484 HydrophobicContact CG1-CD2 3.95Å; V16-L484 HydrophobicContact CG1-CG 4.4Å; V16-M485 HydrophobicContact CG2-CE 3.82Å
17L92Very high76.2Confident0 Ų049.9 Ų49.90%025%0.247CC..EExtended strand (participates in β ladder)trans-108117.9171.5-179.967.8000109.9L19 M64 K66 Y131 F134 F143 Q147 V148 C149L17-L19 HydrophobicContact CD1-CD2 4.22Å; L17-L19 HydrophobicContact CD2-CD2 3.92Å; L17-L19 HydrophobicContact CD2-CG 4.29Å; L17-L19 HydrophobicContact CG-CD2 3.93Å; L17-L19 HydrophobicContact CG-CG 4.27Å; L17-M64 HydrophobicContact CD1-CB 4.19Å; L17-M64 HydrophobicContact CD1-CG 4.08Å; L17-K66 HydrophobicContact CD1-CG 4Å; L17-Y131 HydrophobicContact CD2-CD2 3.63Å; L17-Y131 HydrophobicContact CD2-CE2 4.07Å; L17-F134 HydrophobicContact CB-CE1 4.38Å; L17-F134 HydrophobicContact CD1-CD1 3.92Å; L17-F134 HydrophobicContact CD1-CD2 4.07Å; L17-F134 HydrophobicContact CD1-CE1 4.09Å; L17-F134 HydrophobicContact CD1-CE2 4.23Å; L17-F134 HydrophobicContact CD1-CG 3.9Å; L17-F134 HydrophobicContact CD1-CZ 4.24Å; L17-F134 HydrophobicContact CD2-CD1 3.54Å; L17-F134 HydrophobicContact CD2-CE1 3.93Å; L17-F134 HydrophobicContact CD2-CG 4.16Å; L17-F134 HydrophobicContact CG-CD1 4.27Å; L17-F134 HydrophobicContact CG-CE1 4.36Å; L17-F143 HydrophobicContact CB-CE1 4.49Å; L17-F143 HydrophobicContact CB-CZ 4.07Å; L17-Q147 PolarHBondContact N-O 3.43Å; L17-Q147 VanDerWaalsContact N-O 3.08Å; L17-V148 HydrophobicContact CB-CG1 4.48Å; L17-V148 HydrophobicContact CB-CG2 4.45Å; L17-V148 HydrophobicContact CD2-CG1 4.21Å; L17-V148 HydrophobicContact CD2-CG2 4.38Å; L17-V148 HydrophobicContact CG-CG1 4.48Å; L17-V148 CarbonylContact O-C 3.54Å; L17-V148 WeakPolarHBondContact O-CA 3.36Å; L17-C149 PolarHBondContact O-N 3.39Å
18L94.1Very high78.6Confident0 Ų046.7 Ų46.70%022%0.222CC..EExtended strand (participates in β ladder)trans-102.2109.9174.9-173.266.8000110.1V20 L48 M64 I65 K66 C149 M151 F286L18-V20 HydrophobicContact CG-CG2 4.48Å; L18-L48 HydrophobicContact CD2-CD1 4.45Å; L18-M64 PolarHBondContact N-O 2.88Å; L18-I65 HydrophobicContact CB-CG1 4.36Å; L18-I65 HydrophobicContact CD2-CG1 4.36Å; L18-I65 WeakPolarHBondContact O-CA 3.4Å; L18-K66 PolarHBondContact O-N 2.94Å; L18-C149 HydrophobicContact CD1-CB 3.65Å; L18-M151 HydrophobicContact CD1-CB 4.02Å; L18-M151 HydrophobicContact CD1-CE 4.43Å; L18-M151 HydrophobicContact CD2-CE 3.96Å; L18-M151 HydrophobicContact CD2-SD 4.39Å; L18-M151 HydrophobicContact CG-CB 4.41Å; L18-F286 HydrophobicContact CD1-CD2 4.41Å
19L96.5Very high80.3Confident0 Ų046.1 Ų46.10%022%0.217CC..EExtended strand (participates in β ladder)trans-92.7113.8175.3-58.9-179.3000109.7L17 V21 K66 V68 V130 V148 C149 L150 M151 F280L17-L19 HydrophobicContact CD1-CD2 4.22Å; L17-L19 HydrophobicContact CD2-CD2 3.92Å; L17-L19 HydrophobicContact CD2-CG 4.29Å; L17-L19 HydrophobicContact CG-CD2 3.93Å; L17-L19 HydrophobicContact CG-CG 4.27Å; L19-V21 PolarHBondContact O-N 3.42Å; L19-K66 WeakPolarHBondContact CA-O 3.49Å; L19-K66 HydrophobicContact CD2-CB 4.03Å; L19-V68 HydrophobicContact CB-CG2 4.12Å; L19-V130 HydrophobicContact CD2-CG1 3.88Å; L19-V148 HydrophobicContact CD1-CG1 3.96Å; L19-V148 HydrophobicContact CG-CG1 4.16Å; L19-C149 PolarHBondContact N-O 2.85Å; L19-L150 HydrophobicContact CB-CD2 3.78Å; L19-L150 HydrophobicContact CD1-CD2 4.05Å; L19-L150 HydrophobicContact CG-CD2 4.39Å; L19-M151 PolarHBondContact O-N 3.31Å; L19-F280 HydrophobicContact CD1-CE1 4.05Å; L19-F280 HydrophobicContact CD1-CE2 3.93Å; L19-F280 HydrophobicContact CD1-CZ 3.47Å; L19-F280 VanDerWaalsContact CD1-CZ 3.47Å
20V97.1Very high81.2Confident0 Ų043.1 Ų43.10%021%0.214CC..EExtended strand (participates in β ladder)trans-91103.6-178.9-172.60000109.9L18 H22 V41 L44 I65 K66 V68 M151 W471L18-V20 HydrophobicContact CG-CG2 4.48Å; V20-H22 PolarHBondContact O-N 3.01Å; V20-V41 HydrophobicContact CB-CG2 3.97Å; V20-V41 HydrophobicContact CG1-CG2 3.78Å; V20-V41 HydrophobicContact CG2-CG1 4.33Å; V20-V41 HydrophobicContact CG2-CG2 4.45Å; V20-L44 HydrophobicContact CG2-CD2 4.12Å; V20-I65 HydrophobicContact CG2-CG2 3.64Å; V20-K66 PolarHBondContact N-O 2.84Å; V20-V68 PolarHBondContact O-N 2.86Å; V20-M151 CarbonylContact C-O 3.2Å; V20-M151 WeakPolarHBondContact CA-O 3.2Å; V20-M151 HydrophobicContact CG2-CB 4.43Å; V20-W471 HydrophobicContact CG1-CH2 3.65Å; V20-W471 HydrophobicContact CG1-CZ3 3.7Å
21V95.9Very high81.5Confident0 Ų037 Ų370%021%0.213CC..EExtended strand (participates in β ladder)trans-82.589.7-179.9-176.80000108.2L19 V68 C70 V123 L150 M151 G152 D153 G156 C160L19-V21 PolarHBondContact O-N 3.42Å; V21-V68 HydrophobicContact CG2-CB 4.42Å; V21-C70 WeakPolarHBondContact CG1-SG 3.39Å; V21-V123 HydrophobicContact CG1-CG1 3.82Å; V21-L150 HydrophobicContact CG2-CD2 4.49Å; V21-M151 PolarHBondContact N-O 3.38Å; V21-G152 WeakPolarHBondContact O-CA 3.47Å; V21-D153 PolarHBondContact O-N 2.78Å; V21-G156 WeakPolarHBondContact O-CA 3.29Å; V21-C160 HydrophobicContact CB-CB 4.49Å; V21-C160 HydrophobicContact CG1-CB 4.15Å
22H94Very high81.5Confident3 Ų330.7 Ų30.71%0.01420%0.201CC..EExtended strand (participates in β ladder)trans-98101.5-170.4-169.2-56.3000111.9V20 G24 K37 D40 L67 V68 C70 D153 H467 W471V20-H22 PolarHBondContact O-N 3.01Å; H22-G24 PolarHBondContact ND1-N 2.81Å; H22-K37 HydrophobicContact CB-CD 4.49Å; H22-K37 WeakPolarHBondContact ND1-CD 3.5Å; H22-K37 WeakPolarHBondContact ND1-CG 3.3Å; H22-K37 PolarHBondContact O-NZ 2.92Å; H22-D40 IonicContact CD2-OD2 3.58Å; H22-D40 IonicContact CE1-OD2 2.85Å; H22-D40 IonicContact NE2-OD2 3.89Å; H22-D40 PolarHBondContact NE2-OD2 3.29Å; H22-L67 HydrophobicContact CB-CD1 3.59Å; H22-V68 PolarHBondContact N-O 3.07Å; H22-C70 WeakPolarHBondContact O-CB 3.37Å; H22-C70 PolarHBondContact O-N 2.94Å; H22-D153 IonicContact CE1-OD2 2.81Å; H22-D153 IonicContact CG-OD2 2.79Å; H22-D153 IonicContact ND1-OD2 3.67Å; H22-D153 IonicContact NE2-OD2 3.62Å; H22-H467 AromaticContact CE1-CE1 3.76Å; H22-H467 AromaticContact CE1-NE2 3.96Å; H22-H467 AromaticContact NE2-CE1 3.73Å; H22-W471 AromaticContact CD2-CH2 3.93Å; H22-W471 AromaticContact CD2-CZ2 3.37Å; H22-W471 WeakPolarHBondContact CD2-CZ2 3.2Å; H22-W471 AromaticContact NE2-CZ2 3.63Å
23G87.4Confident81.1Confident1 Ų134.3 Ų34.31%0.0122%0.219CC..  trans-84.8-32.3174.100000113.8K37 D153G23-K37 PolarHBondContact O-NZ 3.28Å; G23-D153 WeakPolarHBondContact CA-OD1 3.3Å; G23-D153 PolarHBondContact N-OD1 2.66Å; G23-D153 PolarHBondContact N-OD2 3.01Å
24G86.8Confident80.7Confident0 Ų032.3 Ų32.30%022%0.221CC..  trans101.3-175.2-167.700000112.3H22 D28 D153 V155H22-G24 PolarHBondContact ND1-N 2.81Å; G24-D28 WeakPolarHBondContact CA-OD2 3.46Å; G24-D153 VanDerWaalsContact CA-OD2 3.31Å; G24-D153 WeakPolarHBondContact CA-OD2 3.27Å; G24-D153 PolarHBondContact N-OD2 3.44Å; G24-V155 WeakPolarHBondContact O-CB 3.49Å; G24-V155 WeakPolarHBondContact O-CG2 3.3Å; G24-V155 PolarHBondContact O-N 2.84Å
25N85.2Confident80.1Confident10 Ų1035.1 Ų35.15%0.05324%0.241CC..  trans-87.2166.6172.969.975.4000111.1L27 D28 H464 H467N25-L27 PolarHBondContact O-N 3.33Å; N25-L27 VanDerWaalsContact O-N 3.14Å; N25-L27 WeakPolarHBondContact OD1-CA 3.05Å; N25-L27 WeakPolarHBondContact OD1-CB 3.27Å; N25-L27 PolarHBondContact OD1-N 3.33Å; N25-D28 PolarHBondContact N-OD2 3.25Å; N25-D28 PolarHBondContact ND2-OD1 3.13Å; N25-D28 PolarHBondContact ND2-OD2 2.79Å; N25-D28 PolarHBondContact O-N 3.07Å; N25-D28 PolarHBondContact OD1-N 3.3Å; N25-H464 PolarHBondContact ND2-ND1 3.28Å; N25-H464 VanDerWaalsContact ND2-ND1 3.1Å; N25-H464 PolarHBondContact OD1-CE1 3.44Å; N25-H464 VanDerWaalsContact OD1-CE1 3.25Å; N25-H464 PolarHBondContact OD1-ND1 3.41Å; N25-H467 HydrophobicContact CB-CB 3.93Å
26I85.8Confident80.1Confident2 Ų234.1 Ų34.11%0.0124%0.242CC..THydrogen-bonded Turntrans-66.6-11.6-176.456.2169.7000115.2L103 L106 P107 V155 P463I26-L103 HydrophobicContact CD1-CB 3.8Å; I26-L103 HydrophobicContact CD1-CD2 4.11Å; I26-L103 HydrophobicContact CD1-CG 4.41Å; I26-L106 WeakPolarHBondContact O-CD1 3.42Å; I26-P107 HydrophobicContact CG2-CG 3.83Å; I26-V155 HydrophobicContact CG2-CG2 4.24Å; I26-P463 HydrophobicContact CD1-CG 4.17Å; I26-P463 HydrophobicContact CG1-CB 4.06Å; I26-P463 HydrophobicContact CG1-CG 4.2Å
27L84.9Confident80.1Confident9 Ų935.5 Ų35.55%0.04725%0.248CC..THydrogen-bonded Turntrans-105.21.3179.8-60.1179.1000112.9N25 T29 F78 L101 L103 L106 V460 P463N25-L27 PolarHBondContact O-N 3.33Å; N25-L27 VanDerWaalsContact O-N 3.14Å; N25-L27 WeakPolarHBondContact OD1-CA 3.05Å; N25-L27 WeakPolarHBondContact OD1-CB 3.27Å; N25-L27 PolarHBondContact OD1-N 3.33Å; L27-T29 PolarHBondContact O-N 2.75Å; L27-F78 HydrophobicContact CD2-CD2 3.76Å; L27-F78 HydrophobicContact CD2-CE2 3.64Å; L27-F78 HydrophobicContact CD2-CZ 4.33Å; L27-L101 HydrophobicContact CD2-CD2 3.66Å; L27-L103 HydrophobicContact CD1-CD2 4.31Å; L27-L103 HydrophobicContact CD2-CD2 3.68Å; L27-L103 HydrophobicContact CG-CD2 4.28Å; L27-L106 HydrophobicContact CD2-CD1 3.82Å; L27-V460 HydrophobicContact CD1-CG2 3.67Å; L27-V460 VanDerWaalsContact CD1-O 3.29Å; L27-V460 WeakPolarHBondContact CD1-O 3.35Å; L27-P463 HydrophobicContact CD1-CB 4.19Å; L27-P463 HydrophobicContact CD1-CG 4.01Å; L27-P463 HydrophobicContact CG-CB 4.42Å; L27-P463 HydrophobicContact CG-CG 4.43Å
28D80.6Confident79.9Confident48 Ų4837.8 Ų37.826%0.25727%0.266SS..  trans-65.1131.8-179.6-77.3-26.2000111.7G24 N25 A75G24-D28 WeakPolarHBondContact CA-OD2 3.46Å; N25-D28 PolarHBondContact N-OD2 3.25Å; N25-D28 PolarHBondContact ND2-OD1 3.13Å; N25-D28 PolarHBondContact ND2-OD2 2.79Å; N25-D28 PolarHBondContact O-N 3.07Å; N25-D28 PolarHBondContact OD1-N 3.3Å; D28-A75 WeakPolarHBondContact O-CB 3.41Å
29T73.5Confident79.7Confident87 Ų8739.3 Ų39.353%0.53428%0.283SS..  trans-85.4154.8176.2620000110.7L27 G31 G32 F78L27-T29 PolarHBondContact O-N 2.75Å; T29-G31 PolarHBondContact O-N 3.12Å; T29-G32 PolarHBondContact O-N 3.37Å; T29-F78 HydrophobicContact CG2-CD1 4.27Å; T29-F78 HydrophobicContact CG2-CE1 4.02Å
30A61.1Low79.5Confident92 Ų9241.1 Ų41.176%0.7629%0.292SS*.THydrogen-bonded Turntrans-66.1-4.1-173.400000115A75A30-A75 HydrophobicContact CB-CB 3.88Å
31G52.4Low79.3Confident71 Ų7141.7 Ų41.773%0.73230%0.296SS*.THydrogen-bonded Turntrans-105.812.7-178.800000115.2T29 D33T29-G31 PolarHBondContact O-N 3.12Å; G31-D33 PolarHBondContact O-N 2.71Å
32G58.8Low79.2Confident55 Ų5544.6 Ų44.657%0.56732%0.32SS*.  trans-59.9129.7177.700000112.8T29T29-G32 PolarHBondContact O-N 3.37Å
33D58.1Low79.2Confident91 Ų9146.9 Ų46.949%0.48733%0.334SS..  trans-60.6126.6176.7177.20.8000110.2G31 S35 T36G31-D33 PolarHBondContact O-N 2.71Å; D33-S35 PolarHBondContact O-N 3.42Å; D33-S35 WeakPolarHBondContact OD1-CB 3.34Å; D33-S35 PolarHBondContact OD1-N 3.03Å; D33-S35 PolarHBondContact OD1-OG 2.92Å; D33-S35 WeakPolarHBondContact OD2-CB 3.46Å; D33-S35 PolarHBondContact OD2-OG 2.97Å; D33-T36 PolarHBondContact O-N 2.97Å; D33-T36 PolarHBondContact O-OG1 3.11Å
34P63.1Low79.6Confident102 Ų10246.9 Ų46.966%0.66233%0.334SS*.Hα-helixtrans-55.8-18.8175.223.3-35.3000114.2T36 K37 A38P34-T36 PolarHBondContact O-N 3.36Å; P34-K37 PolarHBondContact O-N 2.97Å; P34-A38 PolarHBondContact O-N 3.24Å
35S66.8Low79.9Confident65 Ų6548.4 Ų48.446%0.45535%0.346SS..Hα-helixtrans-59.2-31.7172.478.80000113.3D33 A38 G39D33-S35 PolarHBondContact O-N 3.42Å; D33-S35 WeakPolarHBondContact OD1-CB 3.34Å; D33-S35 PolarHBondContact OD1-N 3.03Å; D33-S35 PolarHBondContact OD1-OG 2.92Å; D33-S35 WeakPolarHBondContact OD2-CB 3.46Å; D33-S35 PolarHBondContact OD2-OG 2.97Å; S35-A38 PolarHBondContact O-N 2.69Å; S35-G39 PolarHBondContact O-N 3.3Å
36T79.8Confident80.3Confident79 Ų7951.2 Ų51.249%0.48537%0.367SS..Hα-helixtrans-66.3-46.9-178.659.40000111.4D33 P34 A38 G39 D40D33-T36 PolarHBondContact O-N 2.97Å; D33-T36 PolarHBondContact O-OG1 3.11Å; P34-T36 PolarHBondContact O-N 3.36Å; T36-A38 VanDerWaalsContact C-N 3.27Å; T36-A38 PolarHBondContact O-N 2.84Å; T36-G39 WeakPolarHBondContact O-CA 3.32Å; T36-G39 PolarHBondContact O-N 2.97Å; T36-D40 PolarHBondContact O-N 3.43Å
37K87.8Confident80.7Confident31 Ų3152.1 Ų52.114%0.13537%0.372CS..Hα-helixtrans-60.6-35.2175.5-55.8-162166.1-157.80112.6H22 G23 P34 V41 L67 C70H22-K37 HydrophobicContact CB-CD 4.49Å; H22-K37 WeakPolarHBondContact ND1-CD 3.5Å; H22-K37 WeakPolarHBondContact ND1-CG 3.3Å; H22-K37 PolarHBondContact O-NZ 2.92Å; G23-K37 PolarHBondContact O-NZ 3.28Å; P34-K37 PolarHBondContact O-N 2.97Å; K37-V41 WeakPolarHBondContact O-CG2 3.41Å; K37-V41 PolarHBondContact O-N 3.26Å; K37-L67 HydrophobicContact CB-CD1 4.47Å; K37-L67 HydrophobicContact CB-CD2 4.31Å; K37-C70 PolarHBondContact NZ-O 2.98Å
38A89Confident81Confident47 Ų4752.1 Ų52.139%0.38837%0.372SS..Hα-helixtrans-70.1-38.6173.600000112.1P34 S35 T36 V41 A42 L67P34-A38 PolarHBondContact O-N 3.24Å; S35-A38 PolarHBondContact O-N 2.69Å; T36-A38 VanDerWaalsContact C-N 3.27Å; T36-A38 PolarHBondContact O-N 2.84Å; A38-V41 PolarHBondContact O-N 2.83Å; A38-A42 VanDerWaalsContact O-CB 3.31Å; A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 2.91Å; A38-L67 HydrophobicContact CB-CD2 4.3Å
39G89Confident81.4Confident33 Ų3354.3 Ų54.334%0.3438%0.381SS..Hα-helixtrans-62.5-42.5174.600000113.5S35 T36 A42 T43S35-G39 PolarHBondContact O-N 3.3Å; T36-G39 WeakPolarHBondContact O-CA 3.32Å; T36-G39 PolarHBondContact O-N 2.97Å; G39-A42 PolarHBondContact O-N 2.78Å; G39-T43 WeakPolarHBondContact O-CB 3.44Å; G39-T43 PolarHBondContact O-N 3.17Å; G39-T43 PolarHBondContact O-OG1 3.19Å
40D92.3Very high82.1Confident37 Ų3757.1 Ų57.120%0.19839%0.386CS..Hα-helixtrans-59.6-48.7174.6-76.4-9.7000111.7H22 T36 T43 L44 H467 W471H22-D40 IonicContact CD2-OD2 3.58Å; H22-D40 IonicContact CE1-OD2 2.85Å; H22-D40 IonicContact NE2-OD2 3.89Å; H22-D40 PolarHBondContact NE2-OD2 3.29Å; T36-D40 PolarHBondContact O-N 3.43Å; D40-T43 WeakPolarHBondContact O-CB 3.36Å; D40-T43 PolarHBondContact O-N 3.25Å; D40-L44 PolarHBondContact O-N 3.43Å; D40-H467 IonicContact OD2-CE1 3.51Å; D40-H467 PolarHBondContact OD2-CE1 2.9Å; D40-H467 IonicContact OD2-ND1 3.73Å; D40-W471 HydrophobicContact CB-CD2 4.15Å; D40-W471 HydrophobicContact CB-CG 3.99Å; D40-W471 VanDerWaalsContact CG-CD1 3.45Å; D40-W471 PolarHBondContact OD2-NE1 3.47Å
41V93.4Very high83.4Confident13 Ų1352.8 Ų52.88%0.07935%0.35CS..Hα-helixtrans-68-36.4179.1176.40000111.9V20 K37 A38 T43 L44 A45 I65 L67V20-V41 HydrophobicContact CB-CG2 3.97Å; V20-V41 HydrophobicContact CG1-CG2 3.78Å; V20-V41 HydrophobicContact CG2-CG1 4.33Å; V20-V41 HydrophobicContact CG2-CG2 4.45Å; K37-V41 WeakPolarHBondContact O-CG2 3.41Å; K37-V41 PolarHBondContact O-N 3.26Å; A38-V41 PolarHBondContact O-N 2.83Å; V41-T43 VanDerWaalsContact C-N 3.31Å; V41-T43 PolarHBondContact O-N 2.92Å; V41-L44 PolarHBondContact O-N 2.86Å; V41-A45 WeakPolarHBondContact O-CB 3.37Å; V41-A45 PolarHBondContact O-N 3.04Å; V41-I65 HydrophobicContact CG1-CG2 3.92Å; V41-L67 HydrophobicContact CG1-CB 4.4Å; V41-L67 HydrophobicContact CG2-CB 4.22Å; V41-L67 HydrophobicContact CG2-CD1 3.8Å; V41-L67 HydrophobicContact CG2-CG 4.46Å
42A93.6Very high85.1Confident61 Ų6149.8 Ų49.850%0.50432%0.318SS..Hα-helixtrans-64.7-36.2172.900000112.1A38 G39 A45 S46A38-A42 VanDerWaalsContact O-CB 3.31Å; A38-A42 WeakPolarHBondContact O-CB 3.38Å; A38-A42 PolarHBondContact O-N 2.91Å; G39-A42 PolarHBondContact O-N 2.78Å; A42-A45 PolarHBondContact O-N 3.38Å; A42-S46 WeakPolarHBondContact O-CB 3.3Å; A42-S46 PolarHBondContact O-N 3.17Å
43T94.4Very high86.3Confident51 Ų5153 Ų5331%0.31331%0.313SS..Hα-helixtrans-65.4-49.4174.8-590000110.7G39 D40 V41 A45 S46 V47 E472G39-T43 WeakPolarHBondContact O-CB 3.44Å; G39-T43 PolarHBondContact O-N 3.17Å; G39-T43 PolarHBondContact O-OG1 3.19Å; D40-T43 WeakPolarHBondContact O-CB 3.36Å; D40-T43 PolarHBondContact O-N 3.25Å; V41-T43 VanDerWaalsContact C-N 3.31Å; V41-T43 PolarHBondContact O-N 2.92Å; T43-A45 VanDerWaalsContact C-N 3.32Å; T43-A45 PolarHBondContact O-N 3.38Å; T43-S46 PolarHBondContact O-N 3.27Å; T43-V47 WeakPolarHBondContact O-CG2 3.45Å; T43-V47 PolarHBondContact O-N 3.12Å; T43-E472 HydrophobicContact CG2-CG 3.83Å
44L94.6Very high87.5Confident1 Ų152.8 Ų52.81%0.00531%0.314CS..Hα-helixtrans-56.3-45.2173.817566.8000111.9V20 D40 V41 V47 L48 M151 W471V20-L44 HydrophobicContact CG2-CD2 4.12Å; D40-L44 PolarHBondContact O-N 3.43Å; V41-L44 PolarHBondContact O-N 2.86Å; L44-V47 PolarHBondContact O-N 2.89Å; L44-L48 HydrophobicContact CD1-CD1 3.92Å; L44-L48 HydrophobicContact CD1-CG 4.28Å; L44-L48 HydrophobicContact CD2-CD1 4.44Å; L44-L48 HydrophobicContact CG-CD1 3.85Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.31Å; L44-L48 PolarHBondContact O-N 2.81Å; L44-M151 HydrophobicContact CD2-SD 3.51Å; L44-M151 VanDerWaalsContact CD2-SD 3.51Å; L44-W471 HydrophobicContact CB-CE3 4.07Å; L44-W471 HydrophobicContact CD2-CE3 3.92Å; L44-W471 HydrophobicContact CD2-CZ3 3.94Å; L44-W471 HydrophobicContact CG-CE3 4.4Å
45A93.4Very high88.3Confident32 Ų3251.5 Ų51.526%0.26430%0.299SS..Hα-helixtrans-61.4-45.8178.500000111.9V41 A42 T43 V47 L48 E49 I65V41-A45 WeakPolarHBondContact O-CB 3.37Å; V41-A45 PolarHBondContact O-N 3.04Å; A42-A45 PolarHBondContact O-N 3.38Å; T43-A45 VanDerWaalsContact C-N 3.32Å; T43-A45 PolarHBondContact O-N 3.38Å; A45-V47 PolarHBondContact O-N 3.47Å; A45-L48 PolarHBondContact O-N 3.37Å; A45-E49 WeakPolarHBondContact O-CB 3.3Å; A45-E49 PolarHBondContact O-N 2.99Å; A45-I65 HydrophobicContact CB-CD1 3.89Å
46S94.1Very high88.9Confident69 Ų6949.2 Ų49.248%0.48328%0.281SS..Hα-helixtrans-61.3-40.9176.1-179.80000112.7A42 T43 K50A42-S46 WeakPolarHBondContact O-CB 3.3Å; A42-S46 PolarHBondContact O-N 3.17Å; T43-S46 PolarHBondContact O-N 3.27Å; S46-K50 WeakPolarHBondContact O-CB 3.44Å; S46-K50 PolarHBondContact O-N 3.4Å
47V93.3Very high88.4Confident21 Ų2152.4 Ų52.413%0.12729%0.29CS..Hα-helixtrans-68.3-42.4175.8175.40000110.9T43 L44 A45 K50 V51 T474 A477T43-V47 WeakPolarHBondContact O-CG2 3.45Å; T43-V47 PolarHBondContact O-N 3.12Å; L44-V47 PolarHBondContact O-N 2.89Å; A45-V47 PolarHBondContact O-N 3.47Å; V47-K50 PolarHBondContact O-N 3.44Å; V47-V51 WeakPolarHBondContact O-CG2 3.39Å; V47-V51 PolarHBondContact O-N 3.16Å; V47-T474 HydrophobicContact CG1-CG2 3.92Å; V47-A477 HydrophobicContact CG1-CB 3.73Å
48L91Very high87.3Confident8 Ų855.1 Ų55.14%0.04232%0.319CS..Hα-helixtrans-62-48.1175-81.9165.4000112L18 L44 A45 K50 V51 T52 I65 A477 L481L18-L48 HydrophobicContact CD2-CD1 4.45Å; L44-L48 HydrophobicContact CD1-CD1 3.92Å; L44-L48 HydrophobicContact CD1-CG 4.28Å; L44-L48 HydrophobicContact CD2-CD1 4.44Å; L44-L48 HydrophobicContact CG-CD1 3.85Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.31Å; L44-L48 PolarHBondContact O-N 2.81Å; A45-L48 PolarHBondContact O-N 3.37Å; L48-K50 VanDerWaalsContact C-N 3.35Å; L48-K50 PolarHBondContact O-N 3.04Å; L48-V51 PolarHBondContact O-N 3.41Å; L48-T52 VanDerWaalsContact O-CB 3.22Å; L48-T52 WeakPolarHBondContact O-CB 3.42Å; L48-T52 PolarHBondContact O-N 3.23Å; L48-T52 PolarHBondContact O-OG1 3.38Å; L48-I65 HydrophobicContact CB-CD1 4.49Å; L48-I65 HydrophobicContact CD1-CD1 3.49Å; L48-I65 VanDerWaalsContact CD1-CD1 3.49Å; L48-A477 HydrophobicContact CD2-CB 3.72Å; L48-A477 HydrophobicContact CG-CB 3.96Å; L48-L481 HydrophobicContact CD2-CD1 3.84Å; L48-L481 HydrophobicContact CD2-CD2 4.07Å; L48-L481 HydrophobicContact CD2-CG 3.62Å
49E89.9Confident86.2Confident95 Ų9553 Ų5344%0.44430%0.301SS..Hα-helixtrans-57.4-47.5176.1-172.5-164.5153.200110.9A45 V51 T52 R53A45-E49 WeakPolarHBondContact O-CB 3.3Å; A45-E49 PolarHBondContact O-N 2.99Å; E49-V51 PolarHBondContact O-N 3.47Å; E49-T52 WeakPolarHBondContact O-CB 3.37Å; E49-T52 PolarHBondContact O-N 2.9Å; E49-T52 VanDerWaalsContact O-N 3.14Å; E49-R53 PolarHBondContact O-N 3.4Å; E49-R53 IonicContact OE1-CZ 2.63Å; E49-R53 IonicContact OE1-NH1 2.65Å; E49-R53 IonicContact OE1-NH2 3.2Å; E49-R53 PolarHBondContact OE1-NH2 2.98Å
50K88.9Confident84.8Confident145 Ų14555.2 Ų55.263%0.6330%0.303SS*.Hα-helixtrans-62.2-39.6178.8-176.7178.7-179.11790113.3S46 V47 L48 V54S46-K50 WeakPolarHBondContact O-CB 3.44Å; S46-K50 PolarHBondContact O-N 3.4Å; V47-K50 PolarHBondContact O-N 3.44Å; L48-K50 VanDerWaalsContact C-N 3.35Å; L48-K50 PolarHBondContact O-N 3.04Å; K50-V54 VanDerWaalsContact O-CG2 3.29Å; K50-V54 WeakPolarHBondContact O-CG2 3.44Å
51V88.6Confident83.5Confident1 Ų159.8 Ų59.81%0.00632%0.323CS..Hα-helixtrans-70.2-38.7174.1170.90000110.6V47 L48 E49 V54 H55 F56 Y351 T474 A477 A478 L481V47-V51 WeakPolarHBondContact O-CG2 3.39Å; V47-V51 PolarHBondContact O-N 3.16Å; L48-V51 PolarHBondContact O-N 3.41Å; E49-V51 PolarHBondContact O-N 3.47Å; V51-V54 PolarHBondContact O-N 2.9Å; V51-H55 PolarHBondContact O-N 3.15Å; V51-H55 VanDerWaalsContact O-N 3.13Å; V51-F56 HydrophobicContact CG1-CD2 4.12Å; V51-F56 HydrophobicContact CG1-CE2 3.93Å; V51-Y351 HydrophobicContact CB-CE2 4.4Å; V51-Y351 HydrophobicContact CG1-CD2 4.33Å; V51-Y351 HydrophobicContact CG1-CE2 3.73Å; V51-Y351 HydrophobicContact CG2-CE1 4.35Å; V51-Y351 HydrophobicContact CG2-CE2 4.02Å; V51-T474 HydrophobicContact CG2-CG2 4.33Å; V51-A477 HydrophobicContact CG2-CB 4.26Å; V51-A478 HydrophobicContact CG1-CB 4.08Å; V51-L481 HydrophobicContact CB-CD1 4.01Å; V51-L481 HydrophobicContact CG1-CD1 3.59Å
52T86.9Confident82.7Confident9 Ų962.3 Ų62.36%0.05533%0.334CS..Hα-helixtrans-64.3-52.5-178.3-60.80000111.9L48 E49 V54 H55 F56 Q57 A59 E60 L481L48-T52 VanDerWaalsContact O-CB 3.22Å; L48-T52 WeakPolarHBondContact O-CB 3.42Å; L48-T52 PolarHBondContact O-N 3.23Å; L48-T52 PolarHBondContact O-OG1 3.38Å; E49-T52 WeakPolarHBondContact O-CB 3.37Å; E49-T52 PolarHBondContact O-N 2.9Å; E49-T52 VanDerWaalsContact O-N 3.14Å; T52-V54 PolarHBondContact O-N 3.06Å; T52-V54 VanDerWaalsContact O-N 3.12Å; T52-H55 PolarHBondContact O-N 3.05Å; T52-F56 HydrophobicContact CG2-CB 4.26Å; T52-F56 VanDerWaalsContact CG2-O 3.31Å; T52-F56 WeakPolarHBondContact CG2-O 3.34Å; T52-F56 CarbonylContact O-C 3.58Å; T52-F56 WeakPolarHBondContact O-CA 3.4Å; T52-F56 PolarHBondContact O-N 2.87Å; T52-Q57 PolarHBondContact O-N 2.86Å; T52-A59 HydrophobicContact CG2-CB 3.9Å; T52-E60 HydrophobicContact CG2-CB 3.99Å; T52-L481 WeakPolarHBondContact OG1-CD1 3.31Å; T52-L481 WeakPolarHBondContact OG1-CD2 3.35Å
53R84.8Confident82.3Confident122 Ų12261.1 Ų61.146%0.4632%0.32SS..Hα-helixtrans-55.8-32.3178.8-175.7175.4-66.5142.611.7114E49 Q57 E60E49-R53 PolarHBondContact O-N 3.4Å; E49-R53 IonicContact OE1-CZ 2.63Å; E49-R53 IonicContact OE1-NH1 2.65Å; E49-R53 IonicContact OE1-NH2 3.2Å; E49-R53 PolarHBondContact OE1-NH2 2.98Å; R53-Q57 WeakPolarHBondContact O-CG 3.45Å; R53-Q57 PolarHBondContact O-NE2 2.82Å; R53-E60 IonicContact CZ-OE1 2.89Å; R53-E60 IonicContact NE-OE1 3.83Å; R53-E60 PolarHBondContact NE-OE1 3.37Å; R53-E60 IonicContact NH2-OE1 2.73Å; R53-E60 PolarHBondContact NH2-OE1 3.17Å
54V82.3Confident82.1Confident86 Ų8660.6 Ų60.652%0.52132%0.315SS..Hα-helixtrans-87.8-34.7-175.5-177.30000112.7K50 V51 T52K50-V54 VanDerWaalsContact O-CG2 3.29Å; K50-V54 WeakPolarHBondContact O-CG2 3.44Å; V51-V54 PolarHBondContact O-N 2.9Å; T52-V54 PolarHBondContact O-N 3.06Å; T52-V54 VanDerWaalsContact O-N 3.12Å
55H79.9Confident82Confident76 Ų7662.1 Ų62.135%0.35232%0.322SS..Hα-helixtrans-133-12.4-170.7-68.2-58.5000116.2V51 T52 Y351 L356V51-H55 PolarHBondContact O-N 3.15Å; V51-H55 VanDerWaalsContact O-N 3.13Å; T52-H55 PolarHBondContact O-N 3.05Å; H55-Y351 AromaticContact CD2-CE2 3.61Å; H55-Y351 AromaticContact CD2-CZ 3.8Å; H55-Y351 PolarHBondContact CD2-OH 3.45Å; H55-Y351 VanDerWaalsContact CD2-OH 3.3Å; H55-L356 HydrophobicContact CB-CD2 4.15Å
56F79.3Confident82Confident17 Ų1763.3 Ų63.38%0.07532%0.322CS..  trans-134.249.5-177.4-55.2-91.2000111.2V51 T52 A58 A59 L356 L481 R482V51-F56 HydrophobicContact CG1-CD2 4.12Å; V51-F56 HydrophobicContact CG1-CE2 3.93Å; T52-F56 HydrophobicContact CG2-CB 4.26Å; T52-F56 VanDerWaalsContact CG2-O 3.31Å; T52-F56 WeakPolarHBondContact CG2-O 3.34Å; T52-F56 CarbonylContact O-C 3.58Å; T52-F56 WeakPolarHBondContact O-CA 3.4Å; T52-F56 PolarHBondContact O-N 2.87Å; F56-A58 PolarHBondContact O-N 2.91Å; F56-A59 HydrophobicContact CB-CB 4.2Å; F56-A59 WeakPolarHBondContact O-CA 3.41Å; F56-A59 WeakPolarHBondContact O-CB 3.48Å; F56-A59 PolarHBondContact O-N 3.41Å; F56-L356 HydrophobicContact CD1-CD2 4.33Å; F56-L356 HydrophobicContact CE1-CD2 3.72Å; F56-L356 HydrophobicContact CE2-CD2 4.24Å; F56-L356 HydrophobicContact CZ-CD2 3.67Å; F56-L481 HydrophobicContact CD2-CB 4.28Å; F56-L481 HydrophobicContact CD2-CD1 3.99Å; F56-L481 HydrophobicContact CE2-CB 4.18Å; F56-L481 HydrophobicContact CE2-CD1 4.25Å; F56-L481 HydrophobicContact CZ-CB 4.3Å; F56-R482 HydrophobicContact CE1-CG 4.09Å; F56-R482 HydrophobicContact CZ-CG 3.83Å
57Q70.1Confident82.1Confident145 Ų14562.2 Ų62.268%0.67831%0.31SS*.G310 helixtrans-53.7-31-175.1-69.5178.2-18.600114.2T52 R53 A59 E60T52-Q57 PolarHBondContact O-N 2.86Å; R53-Q57 WeakPolarHBondContact O-CG 3.45Å; R53-Q57 PolarHBondContact O-NE2 2.82Å; Q57-A59 PolarHBondContact O-N 3.21Å; Q57-A59 VanDerWaalsContact O-N 3.15Å; Q57-E60 PolarHBondContact O-N 2.81Å
58A65.6Low82.2Confident88 Ų8861.2 Ų61.273%0.72730%0.304SS*.G310 helixtrans-65.8-9.9174.200000114.5F56F56-A58 PolarHBondContact O-N 2.91Å
59A65.4Low82.2Confident3 Ų363 Ų633%0.02532%0.317CS..G310 helixtrans-106.9-5.8-178.100000113.8T52 F56 Q57 E61 H62 M485T52-A59 HydrophobicContact CG2-CB 3.9Å; F56-A59 HydrophobicContact CB-CB 4.2Å; F56-A59 WeakPolarHBondContact O-CA 3.41Å; F56-A59 WeakPolarHBondContact O-CB 3.48Å; F56-A59 PolarHBondContact O-N 3.41Å; Q57-A59 PolarHBondContact O-N 3.21Å; Q57-A59 VanDerWaalsContact O-N 3.15Å; A59-E61 VanDerWaalsContact C-N 3.28Å; A59-E61 PolarHBondContact O-N 3.5Å; A59-H62 PolarHBondContact O-N 3Å; A59-M485 HydrophobicContact CB-CE 4.26Å; A59-M485 HydrophobicContact CB-CG 3.9Å; A59-M485 HydrophobicContact CB-SD 3.34Å; A59-M485 WeakPolarHBondContact CB-SD 3.29Å
60E59.7Low82.2Confident80 Ų8058.8 Ų58.837%0.37430%0.297SS..THydrogen-bonded Turntrans-62.9-29.6-168.5-165163.2-175.900113.5T52 R53 Q57T52-E60 HydrophobicContact CG2-CB 3.99Å; R53-E60 IonicContact CZ-OE1 2.89Å; R53-E60 IonicContact NE-OE1 3.83Å; R53-E60 PolarHBondContact NE-OE1 3.37Å; R53-E60 IonicContact NH2-OE1 2.73Å; R53-E60 PolarHBondContact NH2-OE1 3.17Å; Q57-E60 PolarHBondContact O-N 2.81Å
61E64.3Low82.1Confident133 Ų13353.8 Ų53.862%0.62128%0.279SS*.THydrogen-bonded Turntrans-101.80.6173.7-59.5-163.4166.100114.3A59A59-E61 VanDerWaalsContact C-N 3.28Å; A59-E61 PolarHBondContact O-N 3.5Å
62H76Confident82Confident66 Ų6655.4 Ų55.431%0.30629%0.293SS..THydrogen-bonded Turntrans-106-12.3-160.8-67.539.6000114.7H15 V16 A59H15-H62 HydrophobicContact CB-CB 4.3Å; H15-H62 AromaticContact CD2-CD2 3.28Å; H15-H62 PolarHBondContact CD2-CD2 2.81Å; H15-H62 AromaticContact CD2-CG 3.8Å; H15-H62 AromaticContact CD2-NE2 3.83Å; H15-H62 PolarHBondContact N-O 2.89Å; H15-H62 AromaticContact NE2-CD2 3.97Å; V16-H62 PolarHBondContact N-O 2.92Å; A59-H62 PolarHBondContact O-N 3Å
63V86Confident82.1Confident36 Ų3656.3 Ų56.322%0.21830%0.298CS..EExtended strand (participates in β ladder)trans-117.5118.4-176.7-174.20000110.4V16 L484 M485V16-V63 HydrophobicContact CB-CG1 4.44Å; V16-V63 HydrophobicContact CB-CG2 4.25Å; V16-V63 WeakPolarHBondContact O-CA 3.2Å; V63-L484 HydrophobicContact CG1-CD1 4.09Å; V63-M485 HydrophobicContact CG2-CE 3.64Å
64M89.1Confident82.2Confident40 Ų4050.7 Ų50.720%0.19728%0.278CS..EExtended strand (participates in β ladder)trans-106138175.2-17854.358.800110.5T14 V16 L17 L18 K66 F134 D139T14-M64 HydrophobicContact CG2-CB 3.52Å; V16-M64 PolarHBondContact O-N 3.28Å; L17-M64 HydrophobicContact CD1-CB 4.19Å; L17-M64 HydrophobicContact CD1-CG 4.08Å; L18-M64 PolarHBondContact N-O 2.88Å; M64-K66 HydrophobicContact CG-CD 4.33Å; M64-K66 HydrophobicContact CG-CG 4.39Å; M64-K66 HydrophobicContact SD-CD 4.34Å; M64-K66 PolarHBondContact SD-NZ 2.84Å; M64-F134 HydrophobicContact CB-CE2 4.2Å; M64-F134 HydrophobicContact CG-CD2 4.1Å; M64-F134 HydrophobicContact CG-CE2 3.81Å; M64-D139 HydrophobicContact CE-CB 3.94Å; M64-D139 WeakPolarHBondContact CE-OD2 3.18Å
65I92.8Very high82.5Confident32 Ų3247 Ų4716%0.16426%0.256CS..EExtended strand (participates in β ladder)trans-118.2128.8-178.9-52.1172.8000108.8L18 V20 V41 A45 L48L18-I65 HydrophobicContact CB-CG1 4.36Å; L18-I65 HydrophobicContact CD2-CG1 4.36Å; L18-I65 WeakPolarHBondContact O-CA 3.4Å; V20-I65 HydrophobicContact CG2-CG2 3.64Å; V41-I65 HydrophobicContact CG1-CG2 3.92Å; A45-I65 HydrophobicContact CB-CD1 3.89Å; L48-I65 HydrophobicContact CB-CD1 4.49Å; L48-I65 HydrophobicContact CD1-CD1 3.49Å; L48-I65 VanDerWaalsContact CD1-CD1 3.49Å
66K94.9Very high82.7Confident57 Ų5747.7 Ų47.725%0.24826%0.26CS..EExtended strand (participates in β ladder)trans-131.2138.7175.1-55.3-66.7-174.5-161.90110.8L17 L18 L19 V20 M64 V130 D139L17-K66 HydrophobicContact CD1-CG 4Å; L18-K66 PolarHBondContact O-N 2.94Å; L19-K66 WeakPolarHBondContact CA-O 3.49Å; L19-K66 HydrophobicContact CD2-CB 4.03Å; V20-K66 PolarHBondContact N-O 2.84Å; M64-K66 HydrophobicContact CG-CD 4.33Å; M64-K66 HydrophobicContact CG-CG 4.39Å; M64-K66 HydrophobicContact SD-CD 4.34Å; M64-K66 PolarHBondContact SD-NZ 2.84Å; K66-V130 HydrophobicContact CB-CG1 3.58Å; K66-V130 HydrophobicContact CG-CG1 4.34Å; K66-D139 IonicContact NZ-OD2 2.84Å
67L95.9Very high83.1Confident46 Ų4647.2 Ų47.224%0.24126%0.259CS..EExtended strand (participates in β ladder)trans-79.7132.4178.116863.6000111.2H22 K37 A38 V41H22-L67 HydrophobicContact CB-CD1 3.59Å; K37-L67 HydrophobicContact CB-CD1 4.47Å; K37-L67 HydrophobicContact CB-CD2 4.31Å; A38-L67 HydrophobicContact CB-CD2 4.3Å; V41-L67 HydrophobicContact CG1-CB 4.4Å; V41-L67 HydrophobicContact CG2-CB 4.22Å; V41-L67 HydrophobicContact CG2-CD1 3.8Å; V41-L67 HydrophobicContact CG2-CG 4.46Å
68V95.6Very high83.9Confident0 Ų042.4 Ų42.40%024%0.236CC..EExtended strand (participates in β ladder)trans-11497.8166.3-178.40000107.6L19 V20 V21 H22 C70 R126 A127 V130L19-V68 HydrophobicContact CB-CG2 4.12Å; V20-V68 PolarHBondContact O-N 2.86Å; V21-V68 HydrophobicContact CG2-CB 4.42Å; H22-V68 PolarHBondContact N-O 3.07Å; V68-C70 PolarHBondContact O-N 3.33Å; V68-C70 PolarHBondContact O-SG 3.47Å; V68-R126 HydrophobicContact CG1-CB 3.97Å; V68-A127 HydrophobicContact CG1-CB 4.12Å; V68-A127 HydrophobicContact CG2-CB 4.31Å; V68-V130 HydrophobicContact CG2-CB 4.19Å; V68-V130 HydrophobicContact CG2-CG1 4.25Å; V68-V130 HydrophobicContact CG2-CG2 4.25Å
69P91.1Very high84.8Confident47 Ų4741.1 Ų41.131%0.30522%0.221SC..EExtended strand (participates in β ladder)trans-76.9127.2-175.330.2-32.2000110.5R126P69-R126 WeakPolarHBondContact O-CD 3.35Å; P69-R126 PolarHBondContact O-NH1 2.73Å
70C89.9Confident85.7Confident6 Ų646 Ų464%0.04125%0.246CC..PPolyproline II helixtrans-103.1157.5-179-45.90000112.1V21 H22 K37 V68 V123 L159V21-C70 WeakPolarHBondContact CG1-SG 3.39Å; H22-C70 WeakPolarHBondContact O-CB 3.37Å; H22-C70 PolarHBondContact O-N 2.94Å; K37-C70 PolarHBondContact NZ-O 2.98Å; V68-C70 PolarHBondContact O-N 3.33Å; V68-C70 PolarHBondContact O-SG 3.47Å; C70-V123 HydrophobicContact CB-CG2 3.7Å; C70-V123 VanDerWaalsContact SG-CG2 3.56Å; C70-L159 HydrophobicContact CB-CD1 3.95Å
71P86.8Confident86.8Confident39 Ų3943.3 Ų43.325%0.25324%0.236SC..PPolyproline II helixtrans-62.5145.8170.1-19.433000112.4V73 A119 T122P71-V73 VanDerWaalsContact C-N 3.28Å; P71-V73 HydrophobicContact CB-CG1 4.4Å; P71-V73 PolarHBondContact O-N 3.16Å; P71-A119 HydrophobicContact CB-CB 4.44Å; P71-A119 HydrophobicContact CG-CB 4.18Å; P71-T122 HydrophobicContact CG-CG2 4.09Å
72A86.2Confident87.5Confident35 Ų3538.6 Ų38.629%0.28922%0.217SC..  trans-7872176.100000111.3C74 A75A72-C74 PolarHBondContact O-N 3.16Å; A72-C74 VanDerWaalsContact O-N 3.16Å; A72-A75 HydrophobicContact CB-CB 4.11Å; A72-A75 VanDerWaalsContact O-CB 3.26Å; A72-A75 WeakPolarHBondContact O-CB 3.47Å; A72-A75 PolarHBondContact O-N 3.24Å
73V88.1Confident87.6Confident28 Ų2840.5 Ų40.517%0.1723%0.23CC..THydrogen-bonded Turntrans-62.7-23.2-172.6-64.50000114.5P71 A110 Y116 A119 V155 L159P71-V73 VanDerWaalsContact C-N 3.28Å; P71-V73 HydrophobicContact CB-CG1 4.4Å; P71-V73 PolarHBondContact O-N 3.16Å; V73-A110 HydrophobicContact CB-CB 4.45Å; V73-A110 HydrophobicContact CG2-CB 4.34Å; V73-A110 WeakPolarHBondContact O-CB 3.46Å; V73-Y116 HydrophobicContact CG1-CD2 4.48Å; V73-A119 HydrophobicContact CG1-CB 3.41Å; V73-A119 VanDerWaalsContact CG1-CB 3.41Å; V73-V155 HydrophobicContact CG2-CG1 3.4Å; V73-L159 HydrophobicContact CG1-CD1 4.34Å; V73-L159 HydrophobicContact CG1-CD2 4.34Å; V73-L159 HydrophobicContact CG2-CD1 4.38Å
74C88.3Confident87.1Confident4 Ų445.5 Ų45.53%0.02725%0.254CS..Hα-helixtrans-78.5-16.2175.3-66.20000113.8A72 E76 A77 F78A72-C74 PolarHBondContact O-N 3.16Å; A72-C74 VanDerWaalsContact O-N 3.16Å; C74-E76 PolarHBondContact O-N 3.04Å; C74-A77 PolarHBondContact O-N 2.88Å; C74-F78 WeakPolarHBondContact O-CB 3.49Å; C74-F78 PolarHBondContact O-N 2.77Å
75A87.1Confident86.2Confident9 Ų945.3 Ų45.37%0.07425%0.254CS..Hα-helixtrans-63-39.2-171.500000113.5D28 A30 A72 S79D28-A75 WeakPolarHBondContact O-CB 3.41Å; A30-A75 HydrophobicContact CB-CB 3.88Å; A72-A75 HydrophobicContact CB-CB 4.11Å; A72-A75 VanDerWaalsContact O-CB 3.26Å; A72-A75 WeakPolarHBondContact O-CB 3.47Å; A72-A75 PolarHBondContact O-N 3.24Å; A75-S79 WeakPolarHBondContact O-CB 3.38Å; A75-S79 PolarHBondContact O-N 2.91Å
76E85.3Confident84.7Confident90 Ų9049 Ų4942%0.42128%0.28SS..Hα-helixtrans-67.6-44.9177.7-174.8165.1-15600110.7C74 S79 L80 R115C74-E76 PolarHBondContact O-N 3.04Å; E76-S79 PolarHBondContact O-N 2.88Å; E76-L80 HydrophobicContact CG-CD1 4.29Å; E76-L80 WeakPolarHBondContact O-CB 3.49Å; E76-L80 VanDerWaalsContact O-CG 3.26Å; E76-L80 WeakPolarHBondContact O-CG 3.34Å; E76-L80 PolarHBondContact O-N 2.67Å; E76-R115 IonicContact OE1-CZ 3.16Å; E76-R115 IonicContact OE1-NH1 2.75Å; E76-R115 PolarHBondContact OE1-NH1 3.49Å; E76-R115 IonicContact OE2-CZ 3.5Å; E76-R115 IonicContact OE2-NH1 2.71Å; E76-R115 PolarHBondContact OE2-NH1 3.05Å
77A86.8Confident83Confident7 Ų752.5 Ų52.56%0.05829%0.293CS..Hα-helixtrans-63-42.1174.700000112.4C74 L80 V81 L106 L109C74-A77 PolarHBondContact O-N 2.88Å; A77-L80 PolarHBondContact O-N 2.68Å; A77-V81 VanDerWaalsContact O-CG2 3.32Å; A77-V81 WeakPolarHBondContact O-CG2 3.49Å; A77-V81 PolarHBondContact O-N 2.82Å; A77-L106 HydrophobicContact CB-CD2 4.49Å; A77-L109 HydrophobicContact CB-CB 3.72Å; A77-L109 HydrophobicContact CB-CD1 4.38Å
78F86.7Confident81.1Confident44 Ų4453 Ų5319%0.19330%0.3CS..Hα-helixtrans-63.9-44.1177.5174-120.2000112L27 T29 C74 S82 L101 L106L27-F78 HydrophobicContact CD2-CD2 3.76Å; L27-F78 HydrophobicContact CD2-CE2 3.64Å; L27-F78 HydrophobicContact CD2-CZ 4.33Å; T29-F78 HydrophobicContact CG2-CD1 4.27Å; T29-F78 HydrophobicContact CG2-CE1 4.02Å; C74-F78 WeakPolarHBondContact O-CB 3.49Å; C74-F78 PolarHBondContact O-N 2.77Å; F78-S82 WeakPolarHBondContact CE2-OG 2.99Å; F78-S82 VanDerWaalsContact O-CB 3.24Å; F78-S82 WeakPolarHBondContact O-CB 3.45Å; F78-S82 PolarHBondContact O-N 2.97Å; F78-S82 PolarHBondContact O-OG 2.63Å; F78-L101 HydrophobicContact CD2-CD2 3.98Å; F78-L101 HydrophobicContact CE2-CD2 3.65Å; F78-L106 HydrophobicContact CB-CD1 4.29Å; F78-L106 HydrophobicContact CB-CD2 4.38Å; F78-L106 HydrophobicContact CD2-CD1 4.02Å
79S84.7Confident79Confident61 Ų6162.8 Ų62.843%0.42734%0.339SS..Hα-helixtrans-61.5-47.2174.7-178.30000111.7A75 E76 V81 S82 N83A75-S79 WeakPolarHBondContact O-CB 3.38Å; A75-S79 PolarHBondContact O-N 2.91Å; E76-S79 PolarHBondContact O-N 2.88Å; S79-V81 PolarHBondContact O-N 2.82Å; S79-S82 PolarHBondContact O-N 2.66Å; S79-N83 WeakPolarHBondContact O-CB 3.44Å; S79-N83 PolarHBondContact O-N 2.87Å; S79-N83 PolarHBondContact O-ND2 2.85Å; S79-N83 VanDerWaalsContact O-ND2 3.13Å
80L83.6Confident77Confident105 Ų10564 Ų6455%0.5534%0.343SS..Hα-helixtrans-59.3-49.5177.7-72.9168.7000112.3E76 A77 S82 N83 L84E76-L80 HydrophobicContact CG-CD1 4.29Å; E76-L80 WeakPolarHBondContact O-CB 3.49Å; E76-L80 VanDerWaalsContact O-CG 3.26Å; E76-L80 WeakPolarHBondContact O-CG 3.34Å; E76-L80 PolarHBondContact O-N 2.67Å; A77-L80 PolarHBondContact O-N 2.68Å; L80-S82 VanDerWaalsContact C-N 3.33Å; L80-S82 PolarHBondContact O-N 3.47Å; L80-N83 PolarHBondContact O-N 3.45Å; L80-L84 WeakPolarHBondContact O-CG 3.38Å; L80-L84 PolarHBondContact O-N 2.95Å; L80-L84 VanDerWaalsContact O-N 3.14Å
81V83.2Confident75Confident25 Ų2572.4 Ų72.415%0.15238%0.381CS..Hα-helixtrans-68.7-33.4-179.8-178.70000111.6A77 S79 L84 N85 L101 P102 L106 L109A77-V81 VanDerWaalsContact O-CG2 3.32Å; A77-V81 WeakPolarHBondContact O-CG2 3.49Å; A77-V81 PolarHBondContact O-N 2.82Å; S79-V81 PolarHBondContact O-N 2.82Å; V81-L84 PolarHBondContact O-N 2.87Å; V81-N85 PolarHBondContact O-N 3.36Å; V81-L101 HydrophobicContact CB-CD1 4.21Å; V81-L101 HydrophobicContact CG1-CD1 3.55Å; V81-P102 HydrophobicContact CG1-CG 4.11Å; V81-L106 HydrophobicContact CB-CD2 4.22Å; V81-L106 HydrophobicContact CG2-CD2 4.06Å; V81-L109 HydrophobicContact CG2-CD1 3.71Å
82S79.3Confident73.1Confident33 Ų3375.5 Ų75.523%0.23140%0.404CS..Hα-helixtrans-66.6-40.8174.6-60.20000112.2F78 S79 L80 L84 N85F78-S82 WeakPolarHBondContact CE2-OG 2.99Å; F78-S82 VanDerWaalsContact O-CB 3.24Å; F78-S82 WeakPolarHBondContact O-CB 3.45Å; F78-S82 PolarHBondContact O-N 2.97Å; F78-S82 PolarHBondContact O-OG 2.63Å; S79-S82 PolarHBondContact O-N 2.66Å; L80-S82 VanDerWaalsContact C-N 3.33Å; L80-S82 PolarHBondContact O-N 3.47Å; S82-L84 VanDerWaalsContact C-N 3.25Å; S82-L84 PolarHBondContact O-N 3.15Å; S82-N85 VanDerWaalsContact O-CB 3.25Å; S82-N85 WeakPolarHBondContact O-CB 3.28Å; S82-N85 PolarHBondContact O-N 2.87Å; S82-N85 VanDerWaalsContact O-N 3.09Å
83N77.9Confident71Confident106 Ų10675 Ų7557%0.56740%0.398SS*.Hα-helixtrans-68.4-23.3175.8-67.4-27.3000113.1S79 L80 N85S79-N83 WeakPolarHBondContact O-CB 3.44Å; S79-N83 PolarHBondContact O-N 2.87Å; S79-N83 PolarHBondContact O-ND2 2.85Å; S79-N83 VanDerWaalsContact O-ND2 3.13Å; L80-N83 PolarHBondContact O-N 3.45Å; N83-N85 VanDerWaalsContact C-N 3.31Å
84L76.4Confident68.9Low141 Ų14178.4 Ų78.474%0.73842%0.419SS*.THydrogen-bonded Turntrans-79.4-10.6172.3-70.1171.3000113.3L80 V81 S82 P86L80-L84 WeakPolarHBondContact O-CG 3.38Å; L80-L84 PolarHBondContact O-N 2.95Å; L80-L84 VanDerWaalsContact O-N 3.14Å; V81-L84 PolarHBondContact O-N 2.87Å; S82-L84 VanDerWaalsContact C-N 3.25Å; S82-L84 PolarHBondContact O-N 3.15Å; L84-P86 WeakPolarHBondContact O-CD 3.47Å
85N69.1Low66.8Low36 Ų3683.4 Ų83.419%0.19345%0.454CS..  trans-73.8117176.4-172.8-11.6000109.6V81 S82 N83 Y87 S88 S97V81-N85 PolarHBondContact O-N 3.36Å; S82-N85 VanDerWaalsContact O-CB 3.25Å; S82-N85 WeakPolarHBondContact O-CB 3.28Å; S82-N85 PolarHBondContact O-N 2.87Å; S82-N85 VanDerWaalsContact O-N 3.09Å; N83-N85 VanDerWaalsContact C-N 3.31Å; N85-Y87 PolarHBondContact O-N 2.81Å; N85-Y87 PolarHBondContact OD1-N 3.04Å; N85-Y87 VanDerWaalsContact OD1-N 3.12Å; N85-S88 VanDerWaalsContact O-CB 3.28Å; N85-S88 WeakPolarHBondContact O-CB 3.45Å; N85-S88 PolarHBondContact O-N 3.32Å; N85-S88 PolarHBondContact O-OG 3.13Å; N85-S97 PolarHBondContact ND2-O 3.19Å
86P60.9Low64.6Low110 Ų11086.3 Ų86.371%0.71447%0.473SS*.THydrogen-bonded Turntrans-65.8-11.4-178.427.8-35.7000113.7L84L84-P86 WeakPolarHBondContact O-CD 3.47Å
87Y60.3Low62.7Low130 Ų13082.4 Ų82.451%0.5146%0.456SS..THydrogen-bonded Turntrans-100.88.1177.2-55-72.7000113.6N85 Y89 D90 S97N85-Y87 PolarHBondContact O-N 2.81Å; N85-Y87 PolarHBondContact OD1-N 3.04Å; N85-Y87 VanDerWaalsContact OD1-N 3.12Å; Y87-Y89 PolarHBondContact O-N 3.32Å; Y87-D90 PolarHBondContact O-N 3.42Å; Y87-S97 VanDerWaalsContact CB-CB 3.45Å
88S56.3Low60.9Low56 Ų5684.5 Ų84.539%0.39247%0.468SS..THydrogen-bonded Turntrans-64.4-18.2-178.649.90000115.1N85N85-S88 VanDerWaalsContact O-CB 3.28Å; N85-S88 WeakPolarHBondContact O-CB 3.45Å; N85-S88 PolarHBondContact O-N 3.32Å; N85-S88 PolarHBondContact O-OG 3.13Å
89Y51.8Low59.2Low207 Ų20787 Ų8781%0.81248%0.484SS*.THydrogen-bonded Turntrans-97.3-0.8-176.9-67.8-86.5000114.8Y87Y87-Y89 PolarHBondContact O-N 3.32Å
90D48.5Very low58Low73 Ų7391.3 Ų91.339%0.3950%0.497SS..  trans-102.690-177.5-171.7-5.4000111.3Y87 S92 C93Y87-D90 PolarHBondContact O-N 3.42Å; D90-S92 PolarHBondContact O-N 2.82Å; D90-S92 VanDerWaalsContact O-N 3.08Å; D90-S92 WeakPolarHBondContact OD1-CB 3.43Å; D90-S92 PolarHBondContact OD1-N 2.99Å; D90-S92 PolarHBondContact OD1-OG 3.41Å; D90-C93 HydrophobicContact CB-CB 3.82Å; D90-C93 VanDerWaalsContact CG-CB 3.41Å; D90-C93 PolarHBondContact O-N 3.14Å; D90-C93 VanDerWaalsContact OD2-CB 3.28Å; D90-C93 WeakPolarHBondContact OD2-CB 3.33Å
91E48.6Very low57.4Low181 Ų18187.8 Ų87.885%0.84648%0.478SS*.THydrogen-bonded Turntrans-59.3-19177.6-66.7-154.5159.200113.3C93E91-C93 VanDerWaalsContact C-N 3.33Å
92S46.1Very low57.3Low104 Ų10489.7 Ų89.773%0.72749%0.491SS*.THydrogen-bonded Turntrans-81.9-10.8176.179.40000113.8D90D90-S92 PolarHBondContact O-N 2.82Å; D90-S92 VanDerWaalsContact O-N 3.08Å; D90-S92 WeakPolarHBondContact OD1-CB 3.43Å; D90-S92 PolarHBondContact OD1-N 2.99Å; D90-S92 PolarHBondContact OD1-OG 3.41Å
93C43.1Very low57.5Low26 Ų2688.7 Ų88.718%0.17648%0.483CS..  trans-114.39.2-168.8-168.30000114.1D90 E91 S95 S96 S97D90-C93 HydrophobicContact CB-CB 3.82Å; D90-C93 VanDerWaalsContact CG-CB 3.41Å; D90-C93 PolarHBondContact O-N 3.14Å; D90-C93 VanDerWaalsContact OD2-CB 3.28Å; D90-C93 WeakPolarHBondContact OD2-CB 3.33Å; E91-C93 VanDerWaalsContact C-N 3.33Å; C93-S95 PolarHBondContact O-N 3.48Å; C93-S96 PolarHBondContact O-N 3.27Å; C93-S96 PolarHBondContact O-OG 3.01Å; C93-S96 PolarHBondContact SG-OG 3.2Å; C93-S97 PolarHBondContact O-N 3.39Å; C93-S97 VanDerWaalsContact O-N 3.13Å; C93-S97 PolarHBondContact O-OG 3.08Å
94V43.4Very low57.7Low99 Ų9986.1 Ų86.160%0.648%0.476SS*.THydrogen-bonded Turntrans-53-21.2-178.4-720000115.3V98V94-V98 WeakPolarHBondContact O-CG2 3.49Å
95S43.6Very low58.1Low109 Ų10980.8 Ų80.876%0.76245%0.453SS*.THydrogen-bonded Turntrans-86.7-3.517750.50000115.6C93C93-S95 PolarHBondContact O-N 3.48Å
96S40.8Very low59.1Low69 Ų6979.1 Ų79.148%0.48344%0.444SS..THydrogen-bonded Turntrans-134.7-15.3179.739.30000115C93C93-S96 PolarHBondContact O-N 3.27Å; C93-S96 PolarHBondContact O-OG 3.01Å; C93-S96 PolarHBondContact SG-OG 3.2Å
97S44.8Very low60.4Low9 Ų974.1 Ų74.16%0.06341%0.412CS..SBendtrans-80.9-15.8179.554.20000114.7N85 Y87 C93N85-S97 PolarHBondContact ND2-O 3.19Å; Y87-S97 VanDerWaalsContact CB-CB 3.45Å; C93-S97 PolarHBondContact O-N 3.39Å; C93-S97 VanDerWaalsContact O-N 3.13Å; C93-S97 PolarHBondContact O-OG 3.08Å
98V49.1Very low61.8Low51 Ų5169.7 Ų69.731%0.30940%0.396SS..SBendtrans-98.5-13.3-167.7-163.50000113.4V94 H100 L101 V460V94-V98 WeakPolarHBondContact O-CG2 3.49Å; V98-H100 PolarHBondContact O-N 2.86Å; V98-L101 PolarHBondContact O-N 2.87Å; V98-V460 HydrophobicContact CB-CG1 4.39Å; V98-V460 HydrophobicContact CG1-CB 3.89Å; V98-V460 HydrophobicContact CG1-CG1 3.79Å; V98-V460 HydrophobicContact CG1-CG2 3.65Å
99D52.3Low63.3Low97 Ų9771.1 Ų71.152%0.51940%0.399SS..THydrogen-bonded Turntrans-67.4-2.3179.5-86.3-22.6000114.6
100H59.4Low65Low151 Ų15161.5 Ų61.570%0.69936%0.362SS*.THydrogen-bonded Turntrans-111.53.3-176.5-63.4-41.5000114.9V98 P102V98-H100 PolarHBondContact O-N 2.86Å; H100-P102 VanDerWaalsContact O-CD 3.32Å; H100-P102 WeakPolarHBondContact O-CD 3.44Å
101L71.3Confident66.8Low31 Ų3159 Ų5916%0.16235%0.349CS..  trans-68.9120.2178.6-174.271.1000111L27 F78 V81 V98 L103 L106L27-L101 HydrophobicContact CD2-CD2 3.66Å; F78-L101 HydrophobicContact CD2-CD2 3.98Å; F78-L101 HydrophobicContact CE2-CD2 3.65Å; V81-L101 HydrophobicContact CB-CD1 4.21Å; V81-L101 HydrophobicContact CG1-CD1 3.55Å; V98-L101 PolarHBondContact O-N 2.87Å; L101-L103 VanDerWaalsContact C-N 3.29Å; L101-L103 HydrophobicContact CD2-CD2 3.83Å; L101-L103 HydrophobicContact CG-CD2 4.31Å; L101-L103 PolarHBondContact O-N 3.39Å; L101-L106 HydrophobicContact CD2-CD1 4.41Å
102P79.5Confident68.6Low65 Ų6554 Ų5442%0.42233%0.33SS..  trans-75.879.1178.231.9-36000110.7V81 H100 A104 A105V81-P102 HydrophobicContact CG1-CG 4.11Å; H100-P102 VanDerWaalsContact O-CD 3.32Å; H100-P102 WeakPolarHBondContact O-CD 3.44Å; P102-A104 PolarHBondContact O-N 3.46Å; P102-A104 VanDerWaalsContact O-N 3.12Å; P102-A105 HydrophobicContact CB-CB 4.05Å; P102-A105 HydrophobicContact CG-CB 4.16Å; P102-A105 WeakPolarHBondContact O-CB 3.47Å; P102-A105 PolarHBondContact O-N 2.98Å
103L83.5Confident70.4Confident12 Ų1250.6 Ų50.66%0.06331%0.307CS..THydrogen-bonded Turntrans-47.7-42.8-179.3-65.2-178.6000113.1I26 L27 L101 A105 L106 P107 P327 T459 P463I26-L103 HydrophobicContact CD1-CB 3.8Å; I26-L103 HydrophobicContact CD1-CD2 4.11Å; I26-L103 HydrophobicContact CD1-CG 4.41Å; L27-L103 HydrophobicContact CD1-CD2 4.31Å; L27-L103 HydrophobicContact CD2-CD2 3.68Å; L27-L103 HydrophobicContact CG-CD2 4.28Å; L101-L103 VanDerWaalsContact C-N 3.29Å; L101-L103 HydrophobicContact CD2-CD2 3.83Å; L101-L103 HydrophobicContact CG-CD2 4.31Å; L101-L103 PolarHBondContact O-N 3.39Å; L103-A105 PolarHBondContact O-N 3Å; L103-L106 PolarHBondContact O-N 3.02Å; L103-P107 WeakPolarHBondContact O-CD 3.48Å; L103-P327 HydrophobicContact CD1-CB 3.98Å; L103-P327 HydrophobicContact CD1-CG 3.82Å; L103-T459 HydrophobicContact CD1-CG2 3.96Å; L103-P463 HydrophobicContact CD1-CG 3.93Å; L103-P463 HydrophobicContact CD2-CG 4.44Å
104A82.3Confident72.1Confident51 Ų5154.9 Ų54.942%0.42133%0.334SS..THydrogen-bonded Turntrans-62.3-23.1177.900000114.1P102 L294P102-A104 PolarHBondContact O-N 3.46Å; P102-A104 VanDerWaalsContact O-N 3.12Å; A104-L294 HydrophobicContact CB-CD2 3.71Å; A104-L294 WeakPolarHBondContact O-CD2 3.35Å
105A85.6Confident74Confident30 Ų3057.2 Ų57.225%0.24833%0.332CS..Hα-helixtrans-80.8-24.1178.100000113P102 L103 L108 L109P102-A105 HydrophobicContact CB-CB 4.05Å; P102-A105 HydrophobicContact CG-CB 4.16Å; P102-A105 WeakPolarHBondContact O-CB 3.47Å; P102-A105 PolarHBondContact O-N 2.98Å; L103-A105 PolarHBondContact O-N 3Å; A105-L108 PolarHBondContact O-N 3.03Å; A105-L108 VanDerWaalsContact O-N 3.14Å; A105-L109 WeakPolarHBondContact O-CG 3.35Å; A105-L109 PolarHBondContact O-N 2.78Å
106L89.1Confident76.1Confident0 Ų052.4 Ų52.40%030%0.297CS..Hα-helixtrans-61.6-46.8-175.1-54.6177.7000112.7I26 L27 A77 F78 V81 L101 L103 L108 L109 A110I26-L106 WeakPolarHBondContact O-CD1 3.42Å; L27-L106 HydrophobicContact CD2-CD1 3.82Å; A77-L106 HydrophobicContact CB-CD2 4.49Å; F78-L106 HydrophobicContact CB-CD1 4.29Å; F78-L106 HydrophobicContact CB-CD2 4.38Å; F78-L106 HydrophobicContact CD2-CD1 4.02Å; V81-L106 HydrophobicContact CB-CD2 4.22Å; V81-L106 HydrophobicContact CG2-CD2 4.06Å; L101-L106 HydrophobicContact CD2-CD1 4.41Å; L103-L106 PolarHBondContact O-N 3.02Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L108 PolarHBondContact O-N 2.81Å; L106-L109 PolarHBondContact O-N 2.81Å; L106-A110 WeakPolarHBondContact O-CB 3.49Å; L106-A110 PolarHBondContact O-N 2.8Å
107P88.9Confident78.2Confident6 Ų650.8 Ų50.84%0.03928%0.282CS..Hα-helixtrans-64.2-34.2174.1-21.334.5000112.9I26 L103 A110 I111 P291 V295I26-P107 HydrophobicContact CG2-CG 3.83Å; L103-P107 WeakPolarHBondContact O-CD 3.48Å; P107-A110 PolarHBondContact O-N 3.2Å; P107-I111 WeakPolarHBondContact O-CG1 3.36Å; P107-I111 WeakPolarHBondContact O-CG2 3.48Å; P107-I111 PolarHBondContact O-N 3.35Å; P107-I111 VanDerWaalsContact O-N 3.08Å; P107-P291 HydrophobicContact CB-CB 4.03Å; P107-P291 HydrophobicContact CB-CG 3.76Å; P107-P291 HydrophobicContact CG-CB 3.78Å; P107-P291 HydrophobicContact CG-CG 3.63Å; P107-V295 HydrophobicContact CB-CG2 4.31Å
108L89.3Confident80.3Confident36 Ų3654.9 Ų54.919%0.18830%0.304CS..Hα-helixtrans-70.2-39-179.1-60.9-174.4000112.2A105 L106 I111 V112 L294 V295 M298A105-L108 PolarHBondContact O-N 3.03Å; A105-L108 VanDerWaalsContact O-N 3.14Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L108 PolarHBondContact O-N 2.81Å; L108-I111 HydrophobicContact CD2-CD1 4.29Å; L108-I111 VanDerWaalsContact O-CG1 3.25Å; L108-I111 WeakPolarHBondContact O-CG1 3.43Å; L108-V112 VanDerWaalsContact O-CG2 3.29Å; L108-V112 WeakPolarHBondContact O-CG2 3.49Å; L108-L294 HydrophobicContact CD1-CD2 4.17Å; L108-L294 HydrophobicContact CD1-CG 4.16Å; L108-L294 HydrophobicContact CD2-CD2 4.5Å; L108-L294 HydrophobicContact CD2-CG 4.15Å; L108-L294 HydrophobicContact CG-CD2 4.27Å; L108-L294 HydrophobicContact CG-CG 4.37Å; L108-V295 HydrophobicContact CD2-CG2 4.17Å; L108-M298 HydrophobicContact CB-SD 3.89Å; L108-M298 HydrophobicContact CD1-CB 4.44Å; L108-M298 HydrophobicContact CD1-CG 4.43Å; L108-M298 HydrophobicContact CD1-SD 4.26Å; L108-M298 HydrophobicContact CD2-CB 3.79Å; L108-M298 HydrophobicContact CD2-CG 4.25Å; L108-M298 HydrophobicContact CD2-SD 3.79Å; L108-M298 HydrophobicContact CG-SD 4.19Å
109L88.4Confident82.3Confident86 Ų8652.8 Ų52.845%0.4529%0.292SS..Hα-helixtrans-69-40.2171.9-67.7172000111.2A77 V81 A105 L106 I111 V112 S113A77-L109 HydrophobicContact CB-CB 3.72Å; A77-L109 HydrophobicContact CB-CD1 4.38Å; V81-L109 HydrophobicContact CG2-CD1 3.71Å; A105-L109 WeakPolarHBondContact O-CG 3.35Å; A105-L109 PolarHBondContact O-N 2.78Å; L106-L109 PolarHBondContact O-N 2.81Å; L109-I111 PolarHBondContact O-N 3Å; L109-V112 PolarHBondContact O-N 2.94Å; L109-S113 PolarHBondContact O-N 2.98Å
110A87.4Confident84.1Confident5 Ų548.2 Ų48.24%0.04127%0.267CS..Hα-helixtrans-60.5-44179.400000112.9V73 L106 P107 V112 S113V73-A110 HydrophobicContact CB-CB 4.45Å; V73-A110 HydrophobicContact CG2-CB 4.34Å; V73-A110 WeakPolarHBondContact O-CB 3.46Å; L106-A110 WeakPolarHBondContact O-CB 3.49Å; L106-A110 PolarHBondContact O-N 2.8Å; P107-A110 PolarHBondContact O-N 3.2Å; A110-V112 VanDerWaalsContact C-N 3.3Å; A110-V112 PolarHBondContact O-N 3.48Å; A110-S113 WeakPolarHBondContact O-CB 3.26Å; A110-S113 PolarHBondContact O-N 3.04Å
111I87.1Confident85.6Confident22 Ų2242 Ų4211%0.11324%0.241CC..Hα-helixtrans-72.7-18.3178.764.5177000114.4P107 L108 L109 Y116 V158 V295 M298P107-I111 WeakPolarHBondContact O-CG1 3.36Å; P107-I111 WeakPolarHBondContact O-CG2 3.48Å; P107-I111 PolarHBondContact O-N 3.35Å; P107-I111 VanDerWaalsContact O-N 3.08Å; L108-I111 HydrophobicContact CD2-CD1 4.29Å; L108-I111 VanDerWaalsContact O-CG1 3.25Å; L108-I111 WeakPolarHBondContact O-CG1 3.43Å; L109-I111 PolarHBondContact O-N 3Å; I111-Y116 HydrophobicContact CB-CD1 4.5Å; I111-Y116 HydrophobicContact CB-CE1 4.48Å; I111-Y116 HydrophobicContact CB-CE2 4.49Å; I111-Y116 HydrophobicContact CG2-CD2 4.23Å; I111-Y116 HydrophobicContact CG2-CE1 4.26Å; I111-Y116 HydrophobicContact CG2-CE2 3.78Å; I111-V158 HydrophobicContact CG2-CG1 4.15Å; I111-V295 HydrophobicContact CD1-CB 4.13Å; I111-V295 HydrophobicContact CD1-CG1 3.58Å; I111-V295 HydrophobicContact CD1-CG2 4.01Å; I111-V295 HydrophobicContact CG2-CG1 4.4Å; I111-V295 HydrophobicContact CG2-CG2 4.39Å; I111-M298 HydrophobicContact CD1-CE 3.65Å; I111-M298 HydrophobicContact CD1-SD 4.45Å; I111-M298 HydrophobicContact CG1-CE 4.27Å
112V84.9Confident86.6Confident74 Ų7442.7 Ų42.745%0.44825%0.247SC..Hα-helixtrans-87.6-16.8176.5173.60000111.2L108 L109 A110 F248 M298L108-V112 VanDerWaalsContact O-CG2 3.29Å; L108-V112 WeakPolarHBondContact O-CG2 3.49Å; L109-V112 PolarHBondContact O-N 2.94Å; A110-V112 VanDerWaalsContact C-N 3.3Å; A110-V112 PolarHBondContact O-N 3.48Å; V112-F248 HydrophobicContact CG2-CE1 4.36Å; V112-M298 HydrophobicContact CG2-CE 4.07Å
113S84.9Confident87.3Confident33 Ų3339.6 Ų39.623%0.23123%0.227CC..SBendtrans-60.2134.1174-177.80000111.3L109 A110 R115 Y116L109-S113 PolarHBondContact O-N 2.98Å; A110-S113 WeakPolarHBondContact O-CB 3.26Å; A110-S113 PolarHBondContact O-N 3.04Å; S113-R115 PolarHBondContact O-N 2.89Å; S113-R115 VanDerWaalsContact O-N 3.16Å; S113-Y116 WeakPolarHBondContact O-CB 3.25Å; S113-Y116 PolarHBondContact O-N 3.41Å
114P78.8Confident87.8Confident116 Ų11639 Ų3975%0.75322%0.224SC*.THydrogen-bonded Turntrans-60-28.4177.924.5-34.1000112.6Y116P114-Y116 PolarHBondContact O-N 3.01Å
115R82.6Confident88.3Confident148 Ų14840.9 Ų40.956%0.55823%0.227SC*.THydrogen-bonded Turntrans-70.1-10176.7-65.3177.7175.5147.9-1.8114E76 S113 Q117 D118 A119E76-R115 IonicContact OE1-CZ 3.16Å; E76-R115 IonicContact OE1-NH1 2.75Å; E76-R115 PolarHBondContact OE1-NH1 3.49Å; E76-R115 IonicContact OE2-CZ 3.5Å; E76-R115 IonicContact OE2-NH1 2.71Å; E76-R115 PolarHBondContact OE2-NH1 3.05Å; S113-R115 PolarHBondContact O-N 2.89Å; S113-R115 VanDerWaalsContact O-N 3.16Å; R115-Q117 VanDerWaalsContact C-N 3.29Å; R115-Q117 PolarHBondContact O-N 3.26Å; R115-D118 PolarHBondContact O-N 3.22Å; R115-A119 PolarHBondContact O-N 3.23Å; R115-A119 VanDerWaalsContact O-N 3.11Å
116Y87.9Confident88.7Confident8 Ų843.9 Ų43.93%0.03123%0.232CC..Hα-helixtrans-64.1-33.9-177.5-178.1-100.8000112.5V73 I111 S113 P114 A119 V120 L159 D162V73-Y116 HydrophobicContact CG1-CD2 4.48Å; I111-Y116 HydrophobicContact CB-CD1 4.5Å; I111-Y116 HydrophobicContact CB-CE1 4.48Å; I111-Y116 HydrophobicContact CB-CE2 4.49Å; I111-Y116 HydrophobicContact CG2-CD2 4.23Å; I111-Y116 HydrophobicContact CG2-CE1 4.26Å; I111-Y116 HydrophobicContact CG2-CE2 3.78Å; S113-Y116 WeakPolarHBondContact O-CB 3.25Å; S113-Y116 PolarHBondContact O-N 3.41Å; P114-Y116 PolarHBondContact O-N 3.01Å; Y116-A119 WeakPolarHBondContact O-CB 3.33Å; Y116-A119 PolarHBondContact O-N 2.79Å; Y116-V120 HydrophobicContact CD1-CG2 4.28Å; Y116-V120 HydrophobicContact CE1-CG2 3.74Å; Y116-V120 WeakPolarHBondContact O-CG2 3.39Å; Y116-V120 PolarHBondContact O-N 2.76Å; Y116-L159 HydrophobicContact CD2-CD2 4.14Å; Y116-L159 HydrophobicContact CE2-CD2 3.44Å; Y116-L159 VanDerWaalsContact CE2-CD2 3.44Å; Y116-L159 HydrophobicContact CE2-CG 4.33Å; Y116-D162 WeakPolarHBondContact CE1-OD2 3.34Å; Y116-D162 PolarHBondContact OH-OD2 2.86Å
117Q84.9Confident89Confident36 Ų3643.9 Ų43.917%0.16823%0.232CC..Hα-helixtrans-66.9-41175.1-70.6-59.8-77.600112.6R115 A119 V120 A121 P252R115-Q117 VanDerWaalsContact C-N 3.29Å; R115-Q117 PolarHBondContact O-N 3.26Å; Q117-A119 PolarHBondContact O-N 3.07Å; Q117-V120 PolarHBondContact O-N 2.9Å; Q117-V120 VanDerWaalsContact O-N 3.17Å; Q117-A121 PolarHBondContact O-N 2.91Å; Q117-P252 VanDerWaalsContact CD-CG 3.47Å; Q117-P252 HydrophobicContact CG-CG 3.54Å
118D89.1Confident89.3Confident95 Ų9544.1 Ų44.151%0.50823%0.233SC..Hα-helixtrans-61.9-35.2174.8-55-38.1000111.1R115 T122R115-D118 PolarHBondContact O-N 3.22Å; D118-T122 VanDerWaalsContact O-CB 3.24Å; D118-T122 WeakPolarHBondContact O-CB 3.4Å; D118-T122 PolarHBondContact O-N 2.98Å; D118-T122 PolarHBondContact O-OG1 3.3Å
119A90.2Very high89.5Confident7 Ų748.6 Ų48.66%0.05825%0.253CS..Hα-helixtrans-66.8-43.117400000112.5P71 V73 R115 Y116 Q117 T122 V123 L159P71-A119 HydrophobicContact CB-CB 4.44Å; P71-A119 HydrophobicContact CG-CB 4.18Å; V73-A119 HydrophobicContact CG1-CB 3.41Å; V73-A119 VanDerWaalsContact CG1-CB 3.41Å; R115-A119 PolarHBondContact O-N 3.23Å; R115-A119 VanDerWaalsContact O-N 3.11Å; Y116-A119 WeakPolarHBondContact O-CB 3.33Å; Y116-A119 PolarHBondContact O-N 2.79Å; Q117-A119 PolarHBondContact O-N 3.07Å; A119-T122 WeakPolarHBondContact O-CB 3.38Å; A119-T122 PolarHBondContact O-N 3.3Å; A119-V123 WeakPolarHBondContact O-CG2 3.34Å; A119-V123 PolarHBondContact O-N 2.94Å; A119-L159 HydrophobicContact CB-CD2 4.08Å
120V91.6Very high89.9Confident0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-62.4-47.3174.1174.40000110.9Y116 Q117 T122 V123 I124 L159 D162 A163 F166 P275Y116-V120 HydrophobicContact CD1-CG2 4.28Å; Y116-V120 HydrophobicContact CE1-CG2 3.74Å; Y116-V120 WeakPolarHBondContact O-CG2 3.39Å; Y116-V120 PolarHBondContact O-N 2.76Å; Q117-V120 PolarHBondContact O-N 2.9Å; Q117-V120 VanDerWaalsContact O-N 3.17Å; V120-T122 VanDerWaalsContact C-N 3.29Å; V120-T122 PolarHBondContact O-N 2.94Å; V120-V123 PolarHBondContact O-N 2.86Å; V120-V123 VanDerWaalsContact O-N 3.13Å; V120-I124 HydrophobicContact CG1-CD1 4.04Å; V120-I124 WeakPolarHBondContact O-CG1 3.39Å; V120-I124 PolarHBondContact O-N 2.64Å; V120-L159 HydrophobicContact CG2-CD2 3.7Å; V120-D162 HydrophobicContact CG2-CB 4.22Å; V120-A163 HydrophobicContact CG1-CB 4.16Å; V120-F166 HydrophobicContact CG1-CD2 3.96Å; V120-F166 HydrophobicContact CG1-CE2 4.1Å; V120-P275 HydrophobicContact CG1-CB 4.39Å; V120-P275 HydrophobicContact CG1-CG 4.44Å
121A91.1Very high90.2Very high20 Ų2046.7 Ų46.717%0.16524%0.242CC..Hα-helixtrans-60.1-39175.500000112.1Q117 I124 N125 P275Q117-A121 PolarHBondContact O-N 2.91Å; A121-I124 PolarHBondContact O-N 2.95Å; A121-N125 WeakPolarHBondContact O-CB 3.37Å; A121-N125 PolarHBondContact O-N 2.88Å; A121-N125 PolarHBondContact O-ND2 2.84Å; A121-P275 WeakPolarHBondContact CA-O 3.43Å; A121-P275 HydrophobicContact CB-CB 3.79Å; A121-P275 WeakPolarHBondContact CB-O 3.4Å
122T91.9Very high90.5Very high46 Ų4649.2 Ų49.228%0.28225%0.254SS..Hα-helixtrans-63-41.3174.4-63.10000111.7P71 D118 A119 V120 R126P71-T122 HydrophobicContact CG-CG2 4.09Å; D118-T122 VanDerWaalsContact O-CB 3.24Å; D118-T122 WeakPolarHBondContact O-CB 3.4Å; D118-T122 PolarHBondContact O-N 2.98Å; D118-T122 PolarHBondContact O-OG1 3.3Å; A119-T122 WeakPolarHBondContact O-CB 3.38Å; A119-T122 PolarHBondContact O-N 3.3Å; V120-T122 VanDerWaalsContact C-N 3.29Å; V120-T122 PolarHBondContact O-N 2.94Å; T122-R126 HydrophobicContact CG2-CG 4.38Å; T122-R126 WeakPolarHBondContact O-CB 3.44Å; T122-R126 VanDerWaalsContact O-CG 3.25Å; T122-R126 WeakPolarHBondContact O-CG 3.49Å; T122-R126 PolarHBondContact O-N 2.92Å
123V93.4Very high90.8Very high0 Ų049.4 Ų49.40%026%0.258CS..Hα-helixtrans-65.1-44.1176.5169.80000111.5V21 C70 A119 V120 R126 A127 L159V21-V123 HydrophobicContact CG1-CG1 3.82Å; C70-V123 HydrophobicContact CB-CG2 3.7Å; C70-V123 VanDerWaalsContact SG-CG2 3.56Å; A119-V123 WeakPolarHBondContact O-CG2 3.34Å; A119-V123 PolarHBondContact O-N 2.94Å; V120-V123 PolarHBondContact O-N 2.86Å; V120-V123 VanDerWaalsContact O-N 3.13Å; V123-R126 PolarHBondContact O-N 2.86Å; V123-A127 VanDerWaalsContact O-CB 3.31Å; V123-A127 WeakPolarHBondContact O-CB 3.28Å; V123-A127 PolarHBondContact O-N 2.72Å; V123-L159 HydrophobicContact CG2-CB 4.2Å; V123-L159 HydrophobicContact CG2-CD1 4.03Å
124I93.8Very high91.2Very high1 Ų148 Ų481%0.00525%0.248CC..Hα-helixtrans-59.2-51.9176.2-67.7166000110.6V120 A121 R126 A127 N128 A163 P275 R277 F278V120-I124 HydrophobicContact CG1-CD1 4.04Å; V120-I124 WeakPolarHBondContact O-CG1 3.39Å; V120-I124 PolarHBondContact O-N 2.64Å; A121-I124 PolarHBondContact O-N 2.95Å; I124-R126 PolarHBondContact O-N 2.72Å; I124-A127 PolarHBondContact O-N 3.24Å; I124-N128 PolarHBondContact O-N 3.48Å; I124-A163 HydrophobicContact CD1-CB 3.95Å; I124-A163 HydrophobicContact CG1-CB 3.63Å; I124-P275 HydrophobicContact CD1-CB 4.43Å; I124-R277 VanDerWaalsContact CG2-C 3.49Å; I124-R277 VanDerWaalsContact CG2-O 3.23Å; I124-R277 WeakPolarHBondContact CG2-O 3.35Å; I124-F278 HydrophobicContact CG1-CE1 4.26Å; I124-F278 HydrophobicContact CG1-CZ 4.47Å
125N93.6Very high91.7Very high89 Ų8945.1 Ų45.148%0.47623%0.226SC..Hα-helixtrans-60.5-42.7179.8-75.5-49000112.3A121 Q129A121-N125 WeakPolarHBondContact O-CB 3.37Å; A121-N125 PolarHBondContact O-N 2.88Å; A121-N125 PolarHBondContact O-ND2 2.84Å; N125-Q129 WeakPolarHBondContact O-CB 3.38Å; N125-Q129 WeakPolarHBondContact O-CG 3.37Å; N125-Q129 PolarHBondContact O-N 3.02Å
126R94.3Very high92Very high93 Ų9345.6 Ų45.635%0.35123%0.234SC..Hα-helixtrans-67-40.4176.8-73.6177.6-177.3-174.30.7112.4V68 P69 T122 V123 I124 Q129 V130V68-R126 HydrophobicContact CG1-CB 3.97Å; P69-R126 WeakPolarHBondContact O-CD 3.35Å; P69-R126 PolarHBondContact O-NH1 2.73Å; T122-R126 HydrophobicContact CG2-CG 4.38Å; T122-R126 WeakPolarHBondContact O-CB 3.44Å; T122-R126 VanDerWaalsContact O-CG 3.25Å; T122-R126 WeakPolarHBondContact O-CG 3.49Å; T122-R126 PolarHBondContact O-N 2.92Å; V123-R126 PolarHBondContact O-N 2.86Å; I124-R126 PolarHBondContact O-N 2.72Å; R126-Q129 PolarHBondContact O-N 3.48Å; R126-V130 WeakPolarHBondContact O-CB 3.33Å; R126-V130 VanDerWaalsContact O-CG2 3.3Å; R126-V130 WeakPolarHBondContact O-CG2 3.08Å; R126-V130 PolarHBondContact O-N 3.42Å
127A94.9Very high92Very high0 Ų046.8 Ų46.80%024%0.244CC..Hα-helixtrans-63.1-44.9176.800000111.5V68 V123 I124 V130 Y131 F278 F280V68-A127 HydrophobicContact CG1-CB 4.12Å; V68-A127 HydrophobicContact CG2-CB 4.31Å; V123-A127 VanDerWaalsContact O-CB 3.31Å; V123-A127 WeakPolarHBondContact O-CB 3.28Å; V123-A127 PolarHBondContact O-N 2.72Å; I124-A127 PolarHBondContact O-N 3.24Å; A127-V130 PolarHBondContact O-N 3.02Å; A127-Y131 WeakPolarHBondContact O-CB 3.32Å; A127-Y131 PolarHBondContact O-N 2.66Å; A127-F278 HydrophobicContact CB-CD1 3.93Å; A127-F278 HydrophobicContact CB-CE1 3.6Å; A127-F280 HydrophobicContact CB-CZ 4.3Å
128N94.9Very high91.9Very high12 Ų1253.5 Ų53.56%0.06428%0.275CS..Hα-helixtrans-63.1-43.1175.7-68.6-6.4000111.3I124 V130 Y131 H132 R277 F278 D279 F280I124-N128 PolarHBondContact O-N 3.48Å; N128-V130 PolarHBondContact O-N 3.46Å; N128-Y131 PolarHBondContact O-N 3.45Å; N128-H132 PolarHBondContact O-CD2 3.19Å; N128-H132 PolarHBondContact O-N 2.87Å; N128-R277 PolarHBondContact ND2-O 3.3Å; N128-F278 VanDerWaalsContact OD1-CA 3.31Å; N128-F278 WeakPolarHBondContact OD1-CA 3.36Å; N128-D279 VanDerWaalsContact ND2-CG 3.32Å; N128-D279 PolarHBondContact ND2-OD2 2.93Å; N128-D279 PolarHBondContact OD1-N 2.9Å; N128-F280 WeakPolarHBondContact OD1-CE1 3.48Å
129Q94.8Very high91.5Very high129 Ų12952.4 Ų52.460%0.60327%0.269SS*.Hα-helixtrans-59.6-44.7174.8-74.81689.100112.7N125 R126 S133N125-Q129 WeakPolarHBondContact O-CB 3.38Å; N125-Q129 WeakPolarHBondContact O-CG 3.37Å; N125-Q129 PolarHBondContact O-N 3.02Å; R126-Q129 PolarHBondContact O-N 3.48Å; Q129-S133 VanDerWaalsContact O-CB 3.24Å; Q129-S133 WeakPolarHBondContact O-CB 3.45Å; Q129-S133 PolarHBondContact O-N 2.85Å
130V94.9Very high91.1Very high33 Ų3352.1 Ų52.120%0.227%0.267CS..Hα-helixtrans-65.6-38.9177.2170.90000111.2L19 K66 V68 R126 A127 N128 F134L19-V130 HydrophobicContact CD2-CG1 3.88Å; K66-V130 HydrophobicContact CB-CG1 3.58Å; K66-V130 HydrophobicContact CG-CG1 4.34Å; V68-V130 HydrophobicContact CG2-CB 4.19Å; V68-V130 HydrophobicContact CG2-CG1 4.25Å; V68-V130 HydrophobicContact CG2-CG2 4.25Å; R126-V130 WeakPolarHBondContact O-CB 3.33Å; R126-V130 VanDerWaalsContact O-CG2 3.3Å; R126-V130 WeakPolarHBondContact O-CG2 3.08Å; R126-V130 PolarHBondContact O-N 3.42Å; A127-V130 PolarHBondContact O-N 3.02Å; N128-V130 PolarHBondContact O-N 3.46Å; V130-F134 WeakPolarHBondContact O-CB 3.28Å; V130-F134 PolarHBondContact O-N 2.65Å
131Y93.8Very high90.6Very high18 Ų1856.8 Ų56.87%0.07129%0.289CS..Hα-helixtrans-63-51.1174.8179.5-108.4000112.3L17 A127 N128 S133 F134 L135 F143 V148 F280L17-Y131 HydrophobicContact CD2-CD2 3.63Å; L17-Y131 HydrophobicContact CD2-CE2 4.07Å; A127-Y131 WeakPolarHBondContact O-CB 3.32Å; A127-Y131 PolarHBondContact O-N 2.66Å; N128-Y131 PolarHBondContact O-N 3.45Å; Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 3.33Å; Y131-F134 WeakPolarHBondContact O-CB 3.45Å; Y131-F134 PolarHBondContact O-N 2.95Å; Y131-F134 VanDerWaalsContact O-N 3.16Å; Y131-L135 HydrophobicContact CD1-CD1 4.1Å; Y131-L135 HydrophobicContact CE1-CD1 3.55Å; Y131-L135 HydrophobicContact CE1-CG 4.21Å; Y131-L135 HydrophobicContact CE2-CD2 4.41Å; Y131-L135 HydrophobicContact CE2-CG 4.46Å; Y131-L135 WeakPolarHBondContact O-CG 3.37Å; Y131-L135 PolarHBondContact O-N 3.41Å; Y131-F143 HydrophobicContact CE2-CD1 4.48Å; Y131-F143 HydrophobicContact CE2-CE1 4.2Å; Y131-V148 HydrophobicContact CD2-CG2 4.36Å; Y131-V148 HydrophobicContact CE2-CG2 3.78Å; Y131-F280 HydrophobicContact CD1-CB 4.23Å; Y131-F280 AromaticContact CD1-CD1 3.64Å; Y131-F280 HydrophobicContact CD1-CD1 3.64Å; Y131-F280 HydrophobicContact CD1-CE1 4.49Å; Y131-F280 HydrophobicContact CD1-CG 4.31Å; Y131-F280 HydrophobicContact CD2-CB 4.34Å; Y131-F280 AromaticContact CD2-CD1 3.91Å; Y131-F280 HydrophobicContact CD2-CD1 3.91Å; Y131-F280 HydrophobicContact CD2-CG 4.16Å; Y131-F280 HydrophobicContact CE1-CB 3.86Å; Y131-F280 HydrophobicContact CE1-CD1 4.17Å; Y131-F280 HydrophobicContact CE1-CG 4.43Å; Y131-F280 HydrophobicContact CE2-CB 4.02Å; Y131-F280 HydrophobicContact CE2-CD1 4.43Å; Y131-F280 HydrophobicContact CE2-CG 4.31Å; Y131-F280 HydrophobicContact CG-CB 4.45Å; Y131-F280 AromaticContact CG-CD1 3.48Å; Y131-F280 HydrophobicContact CG-CD1 3.48Å; Y131-F280 VanDerWaalsContact CG-CD1 3.48Å; Y131-F280 HydrophobicContact CG-CE1 4.03Å; Y131-F280 HydrophobicContact CG-CG 4.17Å
132H93.3Very high89.8Confident76 Ų7658.7 Ų58.735%0.35231%0.311SS..Hα-helixtrans-63.2-37.2177.9-68.2-54.5000112.3N128 L135 Q136 D279N128-H132 PolarHBondContact O-CD2 3.19Å; N128-H132 PolarHBondContact O-N 2.87Å; H132-L135 PolarHBondContact O-N 3.46Å; H132-Q136 WeakPolarHBondContact O-CG 3.42Å; H132-Q136 PolarHBondContact O-N 3.43Å; H132-D279 IonicContact CD2-OD2 3.45Å; H132-D279 IonicContact CE1-OD2 2.65Å; H132-D279 IonicContact NE2-OD2 3.32Å; H132-D279 PolarHBondContact NE2-OD2 3.42Å
133S93.2Very high89.4Confident77 Ų7757.5 Ų57.554%0.53830%0.302SS..Hα-helixtrans-63-42172.8-179.10000112.1Q129 Y131 Q136 S137Q129-S133 VanDerWaalsContact O-CB 3.24Å; Q129-S133 WeakPolarHBondContact O-CB 3.45Å; Q129-S133 PolarHBondContact O-N 2.85Å; Y131-S133 VanDerWaalsContact C-N 3.32Å; Y131-S133 PolarHBondContact O-N 3.33Å; S133-Q136 PolarHBondContact O-N 2.91Å; S133-S137 PolarHBondContact O-N 3.33Å; S133-S137 VanDerWaalsContact O-N 3.17Å
134F91.9Very high88.3Confident3 Ų361.5 Ų61.51%0.01333%0.33CS..Hα-helixtrans-61.8-45.2173.3165.6-104.9000112.2T14 L17 M64 V130 Y131 Q136 S137 D139 G140 F143T14-F134 HydrophobicContact CG2-CE2 4.25Å; T14-F134 HydrophobicContact CG2-CZ 3.73Å; L17-F134 HydrophobicContact CB-CE1 4.38Å; L17-F134 HydrophobicContact CD1-CD1 3.92Å; L17-F134 HydrophobicContact CD1-CD2 4.07Å; L17-F134 HydrophobicContact CD1-CE1 4.09Å; L17-F134 HydrophobicContact CD1-CE2 4.23Å; L17-F134 HydrophobicContact CD1-CG 3.9Å; L17-F134 HydrophobicContact CD1-CZ 4.24Å; L17-F134 HydrophobicContact CD2-CD1 3.54Å; L17-F134 HydrophobicContact CD2-CE1 3.93Å; L17-F134 HydrophobicContact CD2-CG 4.16Å; L17-F134 HydrophobicContact CG-CD1 4.27Å; L17-F134 HydrophobicContact CG-CE1 4.36Å; M64-F134 HydrophobicContact CB-CE2 4.2Å; M64-F134 HydrophobicContact CG-CD2 4.1Å; M64-F134 HydrophobicContact CG-CE2 3.81Å; V130-F134 WeakPolarHBondContact O-CB 3.28Å; V130-F134 PolarHBondContact O-N 2.65Å; Y131-F134 WeakPolarHBondContact O-CB 3.45Å; Y131-F134 PolarHBondContact O-N 2.95Å; Y131-F134 VanDerWaalsContact O-N 3.16Å; F134-Q136 PolarHBondContact O-N 3.42Å; F134-S137 WeakPolarHBondContact O-CB 3.27Å; F134-S137 PolarHBondContact O-N 3Å; F134-S137 PolarHBondContact O-OG 2.88Å; F134-D139 HydrophobicContact CD2-CB 4.46Å; F134-D139 HydrophobicContact CE2-CB 3.92Å; F134-G140 WeakPolarHBondContact O-CA 3.4Å; F134-F143 HydrophobicContact CE1-CB 4.15Å; F134-F143 AromaticContact CE1-CD1 3.85Å; F134-F143 HydrophobicContact CE1-CD1 3.85Å; F134-F143 HydrophobicContact CE1-CD2 4.23Å; F134-F143 HydrophobicContact CE1-CE1 4.26Å; F134-F143 AromaticContact CE1-CG 3.82Å; F134-F143 HydrophobicContact CE1-CG 3.82Å; F134-F143 HydrophobicContact CZ-CD2 4.42Å; F134-F143 HydrophobicContact CZ-CG 4.35Å
135L90.4Very high87.1Confident57 Ų5762.2 Ų62.230%0.29834%0.337SS..Hα-helixtrans-60.2-27.8177.7-67.9-179000113.4Y131 H132 F143Y131-L135 HydrophobicContact CD1-CD1 4.1Å; Y131-L135 HydrophobicContact CE1-CD1 3.55Å; Y131-L135 HydrophobicContact CE1-CG 4.21Å; Y131-L135 HydrophobicContact CE2-CD2 4.41Å; Y131-L135 HydrophobicContact CE2-CG 4.46Å; Y131-L135 WeakPolarHBondContact O-CG 3.37Å; Y131-L135 PolarHBondContact O-N 3.41Å; H132-L135 PolarHBondContact O-N 3.46Å; L135-F143 HydrophobicContact CD2-CB 4.04Å; L135-F143 HydrophobicContact CD2-CD1 3.92Å; L135-F143 HydrophobicContact CD2-CG 4.45Å
136Q88.9Confident85.9Confident158 Ų15865.6 Ų65.674%0.73835%0.35SS*.Hα-helixtrans-83.8-19176.2-67.4172.413.100113.4H132 S133 F134H132-Q136 WeakPolarHBondContact O-CG 3.42Å; H132-Q136 PolarHBondContact O-N 3.43Å; S133-Q136 PolarHBondContact O-N 2.91Å; F134-Q136 PolarHBondContact O-N 3.42Å
137S87.9Confident85.3Confident33 Ų3362.7 Ų62.723%0.23134%0.341CS..SBendtrans-76.8158.1179.474.90000112.6S133 F134 D139 G140 Q141S133-S137 PolarHBondContact O-N 3.33Å; S133-S137 VanDerWaalsContact O-N 3.17Å; F134-S137 WeakPolarHBondContact O-CB 3.27Å; F134-S137 PolarHBondContact O-N 3Å; F134-S137 PolarHBondContact O-OG 2.88Å; S137-D139 PolarHBondContact O-N 3.22Å; S137-G140 PolarHBondContact O-N 3.38Å; S137-Q141 PolarHBondContact O-N 2.78Å
138E82.6Confident85.1Confident177 Ų17762.7 Ų62.783%0.82734%0.341SS*.THydrogen-bonded Turntrans-56.5-33178.1-60.5-167.9157.600112.8G140E138-G140 VanDerWaalsContact C-N 3.27Å; E138-G140 PolarHBondContact O-N 3.24Å
139D80.6Confident85.1Confident71 Ų7162.1 Ų62.138%0.3834%0.338SS..THydrogen-bonded Turntrans-69-20177.6-59.1-35.4000114C12 T14 M64 K66 F134 S137C12-D139 PolarHBondContact SG-O 3.14Å; T14-D139 WeakPolarHBondContact CB-O 3.43Å; T14-D139 PolarHBondContact OG1-O 3.43Å; M64-D139 HydrophobicContact CE-CB 3.94Å; M64-D139 WeakPolarHBondContact CE-OD2 3.18Å; K66-D139 IonicContact NZ-OD2 2.84Å; F134-D139 HydrophobicContact CD2-CB 4.46Å; F134-D139 HydrophobicContact CE2-CB 3.92Å; S137-D139 PolarHBondContact O-N 3.22Å
140G80.8Confident85.2Confident1 Ų156 Ų561%0.0131%0.309CS..THydrogen-bonded Turntrans-111.7-6-174.100000115F134 S137 E138 G142 F143F134-G140 WeakPolarHBondContact O-CA 3.4Å; S137-G140 PolarHBondContact O-N 3.38Å; E138-G140 VanDerWaalsContact C-N 3.27Å; E138-G140 PolarHBondContact O-N 3.24Å; G140-G142 PolarHBondContact O-N 3.45Å; G140-F143 VanDerWaalsContact O-CB 3.24Å; G140-F143 WeakPolarHBondContact O-CB 3.48Å; G140-F143 PolarHBondContact O-N 2.89Å
141Q80.8Confident85.3Confident98 Ų9854.4 Ų54.446%0.45830%0.299SS..THydrogen-bonded Turntrans-60.8119.4177.4-71.3-17413.700111C12 S137C12-Q141 VanDerWaalsContact CB-O 3.31Å; C12-Q141 WeakPolarHBondContact CB-O 3.37Å; S137-Q141 PolarHBondContact O-N 2.78Å
142G75.5Confident85.4Confident61 Ų6153.6 Ų53.663%0.62930%0.296SS*.THydrogen-bonded Turntrans81.711.9-176.800000114.8C12 G140 S144C12-G142 VanDerWaalsContact CB-C 3.48Å; C12-G142 WeakPolarHBondContact CB-O 3.43Å; G140-G142 PolarHBondContact O-N 3.45Å; G142-S144 PolarHBondContact O-N 3.2Å
143F83.9Confident85.4Confident21 Ų2150 Ų509%0.09228%0.28CS..  trans-65.7128.4173.2-175.5-110.9000110.7T14 L17 Y131 F134 L135 G140 G145 V148T14-F143 HydrophobicContact CG2-CE2 4.5Å; T14-F143 WeakPolarHBondContact O-CD2 3.06Å; L17-F143 HydrophobicContact CB-CE1 4.49Å; L17-F143 HydrophobicContact CB-CZ 4.07Å; Y131-F143 HydrophobicContact CE2-CD1 4.48Å; Y131-F143 HydrophobicContact CE2-CE1 4.2Å; F134-F143 HydrophobicContact CE1-CB 4.15Å; F134-F143 AromaticContact CE1-CD1 3.85Å; F134-F143 HydrophobicContact CE1-CD1 3.85Å; F134-F143 HydrophobicContact CE1-CD2 4.23Å; F134-F143 HydrophobicContact CE1-CE1 4.26Å; F134-F143 AromaticContact CE1-CG 3.82Å; F134-F143 HydrophobicContact CE1-CG 3.82Å; F134-F143 HydrophobicContact CZ-CD2 4.42Å; F134-F143 HydrophobicContact CZ-CG 4.35Å; L135-F143 HydrophobicContact CD2-CB 4.04Å; L135-F143 HydrophobicContact CD2-CD1 3.92Å; L135-F143 HydrophobicContact CD2-CG 4.45Å; G140-F143 VanDerWaalsContact O-CB 3.24Å; G140-F143 WeakPolarHBondContact O-CB 3.48Å; G140-F143 PolarHBondContact O-N 2.89Å; F143-G145 VanDerWaalsContact C-N 3.28Å; F143-G145 VanDerWaalsContact CE1-CA 3.48Å; F143-G145 PolarHBondContact O-N 3.21Å; F143-V148 HydrophobicContact CE1-CG2 3.9Å; F143-V148 HydrophobicContact CZ-CG2 4.2Å
144S69.9Low85.2Confident84 Ų8446.5 Ų46.559%0.58726%0.255SS*.  trans-79-5.3-17463.50000114.8G142 Q146G142-S144 PolarHBondContact O-N 3.2Å; S144-Q146 PolarHBondContact O-N 3.43Å; S144-Q146 PolarHBondContact OG-OE1 3.24Å
145G69.4Low85.2Confident16 Ų1646.7 Ų46.717%0.16526%0.256CS..SBendtrans75-3.1-175.400000115F143 Q147F143-G145 VanDerWaalsContact C-N 3.28Å; F143-G145 VanDerWaalsContact CE1-CA 3.48Å; F143-G145 PolarHBondContact O-N 3.21Å; G145-Q147 PolarHBondContact O-N 3.32Å
146Q66.6Low85.3Confident160 Ų16044 Ų4475%0.74824%0.242SC*.  trans-80.3-10-165.1-70.4177.1-24.700116S144S144-Q146 PolarHBondContact O-N 3.43Å; S144-Q146 PolarHBondContact OG-OE1 3.24Å
147Q81.9Confident85.5Confident32 Ų3236.4 Ų36.415%0.1521%0.207CC..  trans-145.174.6-178.7-160.2171.2-600111.6V16 L17 G145 L484V16-Q147 HydrophobicContact CG1-CG 4.34Å; V16-Q147 HydrophobicContact CG2-CG 4.17Å; L17-Q147 PolarHBondContact N-O 3.43Å; L17-Q147 VanDerWaalsContact N-O 3.08Å; G145-Q147 PolarHBondContact O-N 3.32Å; Q147-L484 PolarHBondContact NE2-O 2.98Å
148V91.4Very high85.8Confident0 Ų035.2 Ų35.20%020%0.198CC..EExtended strand (participates in β ladder)trans-102124.6170.1-172.20000109.2L17 L19 Y131 F143 F280 V282 S283L17-V148 HydrophobicContact CB-CG1 4.48Å; L17-V148 HydrophobicContact CB-CG2 4.45Å; L17-V148 HydrophobicContact CD2-CG1 4.21Å; L17-V148 HydrophobicContact CD2-CG2 4.38Å; L17-V148 HydrophobicContact CG-CG1 4.48Å; L17-V148 CarbonylContact O-C 3.54Å; L17-V148 WeakPolarHBondContact O-CA 3.36Å; L19-V148 HydrophobicContact CD1-CG1 3.96Å; L19-V148 HydrophobicContact CG-CG1 4.16Å; Y131-V148 HydrophobicContact CD2-CG2 4.36Å; Y131-V148 HydrophobicContact CE2-CG2 3.78Å; F143-V148 HydrophobicContact CE1-CG2 3.9Å; F143-V148 HydrophobicContact CZ-CG2 4.2Å; V148-F280 HydrophobicContact CB-CD2 3.89Å; V148-F280 HydrophobicContact CB-CE2 4.44Å; V148-F280 HydrophobicContact CG1-CD2 3.59Å; V148-F280 HydrophobicContact CG1-CE2 3.69Å; V148-F280 HydrophobicContact CG1-CG 4.37Å; V148-F280 HydrophobicContact CG2-CB 4.36Å; V148-F280 HydrophobicContact CG2-CD2 4.27Å; V148-F280 HydrophobicContact CG2-CG 4.5Å; V148-V282 CarbonylContact O-C 3.5Å; V148-V282 WeakPolarHBondContact O-CA 3.31Å; V148-S283 PolarHBondContact O-N 3.41Å
149C94.4Very high86.3Confident0 Ų026.8 Ų26.80%016%0.159CC..EExtended strand (participates in β ladder)trans-111.1144.5177.6-590000110.1L17 L18 L19 S283 D284 F286 L484L17-C149 PolarHBondContact O-N 3.39Å; L18-C149 HydrophobicContact CD1-CB 3.65Å; L19-C149 PolarHBondContact N-O 2.85Å; C149-S283 PolarHBondContact SG-OG 3.09Å; C149-D284 CarbonylContact C-O 3.59Å; C149-D284 VanDerWaalsContact CA-O 3.24Å; C149-D284 WeakPolarHBondContact CA-O 3.45Å; C149-D284 WeakPolarHBondContact CB-O 3.44Å; C149-F286 HydrophobicContact CB-CE2 4.32Å; C149-L484 HydrophobicContact CB-CD2 4.13Å; C149-L484 WeakPolarHBondContact SG-CD2 3.4Å
150L96.3Very high86.9Confident0 Ų023.4 Ų23.40%014%0.141CC..EExtended strand (participates in β ladder)trans-103.8141.9172-60.7-174.1000110.1L19 V21 C160 L164 F278 F280 V282 D284 C285 F286L19-L150 HydrophobicContact CB-CD2 3.78Å; L19-L150 HydrophobicContact CD1-CD2 4.05Å; L19-L150 HydrophobicContact CG-CD2 4.39Å; V21-L150 HydrophobicContact CG2-CD2 4.49Å; L150-C160 WeakPolarHBondContact CD1-SG 3.5Å; L150-L164 HydrophobicContact CD1-CD1 4.42Å; L150-L164 HydrophobicContact CD1-CD2 4.06Å; L150-L164 HydrophobicContact CD1-CG 4.25Å; L150-F278 HydrophobicContact CD1-CD2 4.46Å; L150-F278 HydrophobicContact CD1-CE2 3.78Å; L150-F278 HydrophobicContact CD1-CZ 3.88Å; L150-F280 HydrophobicContact CD2-CE2 4.07Å; L150-F280 HydrophobicContact CD2-CZ 4.34Å; L150-V282 HydrophobicContact CB-CG1 4.36Å; L150-V282 HydrophobicContact CD1-CG1 4.18Å; L150-V282 HydrophobicContact CD1-CG2 3.82Å; L150-V282 HydrophobicContact CG-CG1 3.81Å; L150-V282 HydrophobicContact CG-CG2 3.91Å; L150-D284 PolarHBondContact N-O 2.97Å; L150-C285 CarbonylContact O-C 3.58Å; L150-C285 WeakPolarHBondContact O-CA 3.32Å; L150-F286 PolarHBondContact O-N 3.25Å
151M97.4Very high87.5Confident0 Ų023.4 Ų23.40%014%0.14CC..EExtended strand (participates in β ladder)trans-129.4105.6170.7180174.5-73.900109.6L18 L19 V20 V21 L44 F286 L288 W471 V480L18-M151 HydrophobicContact CD1-CB 4.02Å; L18-M151 HydrophobicContact CD1-CE 4.43Å; L18-M151 HydrophobicContact CD2-CE 3.96Å; L18-M151 HydrophobicContact CD2-SD 4.39Å; L18-M151 HydrophobicContact CG-CB 4.41Å; L19-M151 PolarHBondContact O-N 3.31Å; V20-M151 CarbonylContact C-O 3.2Å; V20-M151 WeakPolarHBondContact CA-O 3.2Å; V20-M151 HydrophobicContact CG2-CB 4.43Å; V21-M151 PolarHBondContact N-O 3.38Å; L44-M151 HydrophobicContact CD2-SD 3.51Å; L44-M151 VanDerWaalsContact CD2-SD 3.51Å; M151-F286 CarbonylContact C-O 3.53Å; M151-F286 VanDerWaalsContact CA-O 3.32Å; M151-F286 WeakPolarHBondContact CA-O 3.39Å; M151-F286 HydrophobicContact CB-CB 4.39Å; M151-F286 HydrophobicContact CE-CB 4.13Å; M151-F286 HydrophobicContact CE-CD2 4.41Å; M151-F286 HydrophobicContact CE-CG 4.29Å; M151-F286 HydrophobicContact CG-CB 4.24Å; M151-L288 HydrophobicContact CG-CD1 3.96Å; M151-L288 HydrophobicContact CG-CG 4.32Å; M151-L288 HydrophobicContact SD-CD1 3.82Å; M151-W471 HydrophobicContact SD-CZ3 4.33Å; M151-V480 HydrophobicContact CE-CB 4.45Å; M151-V480 HydrophobicContact CE-CG1 4.09Å; M151-V480 HydrophobicContact CE-CG2 3.56Å
152G95.8Very high87.9Confident0 Ų018.7 Ų18.70%012%0.118CC..EExtended strand (participates in β ladder)trans-95.9134.8175.300000111.5V21 F286 L287 L288V21-G152 WeakPolarHBondContact O-CA 3.47Å; G152-F286 PolarHBondContact N-O 2.72Å; G152-L287 WeakPolarHBondContact O-CA 3.28Å; G152-L288 PolarHBondContact O-N 3.28Å
153D93.2Very high88.7Confident1 Ų115.8 Ų15.81%0.0059%0.089CC..  trans-80.1-161.5169.173.6-16000111.8V21 H22 G23 G24 V155 G156 G157 L288 H467 W471V21-D153 PolarHBondContact O-N 2.78Å; H22-D153 IonicContact CE1-OD2 2.81Å; H22-D153 IonicContact CG-OD2 2.79Å; H22-D153 IonicContact ND1-OD2 3.67Å; H22-D153 IonicContact NE2-OD2 3.62Å; G23-D153 WeakPolarHBondContact CA-OD1 3.3Å; G23-D153 PolarHBondContact N-OD1 2.66Å; G23-D153 PolarHBondContact N-OD2 3.01Å; G24-D153 VanDerWaalsContact CA-OD2 3.31Å; G24-D153 WeakPolarHBondContact CA-OD2 3.27Å; G24-D153 PolarHBondContact N-OD2 3.44Å; D153-V155 PolarHBondContact O-N 3.3Å; D153-G156 VanDerWaalsContact OD1-CA 3.27Å; D153-G156 WeakPolarHBondContact OD1-CA 3.42Å; D153-G156 PolarHBondContact OD1-N 3.4Å; D153-G157 WeakPolarHBondContact O-CA 3.32Å; D153-G157 PolarHBondContact O-N 3.21Å; D153-L288 CarbonylContact C-O 3.55Å; D153-H467 IonicContact OD2-CD2 3.13Å; D153-H467 IonicContact OD2-CE1 3.7Å; D153-H467 IonicContact OD2-NE2 2.82Å; D153-H467 PolarHBondContact OD2-NE2 3.22Å; D153-W471 HydrophobicContact CB-CH2 3.72Å; D153-W471 HydrophobicContact CB-CZ2 3.53Å
154C90.3Very high89Confident4 Ų414.9 Ų14.93%0.0278%0.084CC..Hα-helixtrans-52.7-60-174.8-175.30000111.9L288 G289 C290 P291 S328C154-L288 PolarHBondContact N-O 3.05Å; C154-L288 VanDerWaalsContact N-O 3.1Å; C154-G289 PolarHBondContact SG-O 2.92Å; C154-C290 PolarHBondContact O-SG 3.17Å; C154-C290 VanDerWaalsContact O-SG 3.37Å; C154-P291 WeakPolarHBondContact O-CD 3.39Å; C154-S328 PolarHBondContact SG-OG 3.12Å; C154-S328 VanDerWaalsContact SG-OG 3.37Å
155V90.7Very high89.9Confident6 Ų611.3 Ų11.34%0.0366%0.06CC..Hα-helixtrans-83.1-38.8179.3176.30000111.6G24 I26 V73 D153 G157 V158 L159G24-V155 WeakPolarHBondContact O-CB 3.49Å; G24-V155 WeakPolarHBondContact O-CG2 3.3Å; G24-V155 PolarHBondContact O-N 2.84Å; I26-V155 HydrophobicContact CG2-CG2 4.24Å; V73-V155 HydrophobicContact CG2-CG1 3.4Å; D153-V155 PolarHBondContact O-N 3.3Å; V155-G157 VanDerWaalsContact C-N 3.27Å; V155-G157 PolarHBondContact O-N 3.46Å; V155-V158 PolarHBondContact O-N 2.87Å; V155-L159 HydrophobicContact CG1-CD1 4.48Å; V155-L159 PolarHBondContact O-N 3.35Å
156G92.4Very high90.4Very high0 Ų011.3 Ų11.30%06%0.055CC..Hα-helixtrans-63.6-32-179.400000113V21 D153 V158 L159 C160V21-G156 WeakPolarHBondContact O-CA 3.29Å; D153-G156 VanDerWaalsContact OD1-CA 3.27Å; D153-G156 WeakPolarHBondContact OD1-CA 3.42Å; D153-G156 PolarHBondContact OD1-N 3.4Å; G156-V158 PolarHBondContact O-N 2.91Å; G156-L159 PolarHBondContact O-N 3.47Å; G156-C160 WeakPolarHBondContact O-CB 3.46Å; G156-C160 PolarHBondContact O-N 3.31Å
157G93.8Very high90.6Very high0 Ų04.7 Ų4.70%03%0.026CC..Hα-helixtrans-64.5-34175.500000114.3D153 V155 F161D153-G157 WeakPolarHBondContact O-CA 3.32Å; D153-G157 PolarHBondContact O-N 3.21Å; V155-G157 VanDerWaalsContact C-N 3.27Å; V155-G157 PolarHBondContact O-N 3.46Å; G157-F161 WeakPolarHBondContact O-CB 3.34Å; G157-F161 PolarHBondContact O-N 3.43Å
158V93.6Very high89.7Confident8 Ų87.1 Ų7.15%0.0484%0.04CC..Hα-helixtrans-70.2-46.5175.9-167.90000110.1I111 V155 G156 C160 F161 D162 C290 P291 V295I111-V158 HydrophobicContact CG2-CG1 4.15Å; V155-V158 PolarHBondContact O-N 2.87Å; G156-V158 PolarHBondContact O-N 2.91Å; V158-C160 VanDerWaalsContact C-N 3.33Å; V158-C160 PolarHBondContact O-N 3.06Å; V158-F161 PolarHBondContact O-N 2.97Å; V158-D162 PolarHBondContact O-N 3.16Å; V158-D162 VanDerWaalsContact O-N 3.1Å; V158-C290 VanDerWaalsContact CG2-SG 3.58Å; V158-P291 HydrophobicContact CG2-CG 3.84Å; V158-V295 HydrophobicContact CG1-CG1 4.22Å; V158-V295 HydrophobicContact CG1-CG2 4.16Å
159L93.1Very high87.8Confident0 Ų010.7 Ų10.70%06%0.057CC..Hα-helixtrans-61.8-41.4175.7-67.3168000111.5C70 V73 Y116 A119 V120 V123 V155 G156 A163C70-L159 HydrophobicContact CB-CD1 3.95Å; V73-L159 HydrophobicContact CG1-CD1 4.34Å; V73-L159 HydrophobicContact CG1-CD2 4.34Å; V73-L159 HydrophobicContact CG2-CD1 4.38Å; Y116-L159 HydrophobicContact CD2-CD2 4.14Å; Y116-L159 HydrophobicContact CE2-CD2 3.44Å; Y116-L159 VanDerWaalsContact CE2-CD2 3.44Å; Y116-L159 HydrophobicContact CE2-CG 4.33Å; A119-L159 HydrophobicContact CB-CD2 4.08Å; V120-L159 HydrophobicContact CG2-CD2 3.7Å; V123-L159 HydrophobicContact CG2-CB 4.2Å; V123-L159 HydrophobicContact CG2-CD1 4.03Å; V155-L159 HydrophobicContact CG1-CD1 4.48Å; V155-L159 PolarHBondContact O-N 3.35Å; G156-L159 PolarHBondContact O-N 3.47Å; L159-A163 VanDerWaalsContact O-CB 3.3Å; L159-A163 WeakPolarHBondContact O-CB 3.33Å; L159-A163 PolarHBondContact O-N 2.79Å
160C92.9Very high85.1Confident0 Ų016.2 Ų16.20%09%0.093CC..Hα-helixtrans-62.5-46.3176.7-174.60000112V21 L150 G156 V158 A163 L164V21-C160 HydrophobicContact CB-CB 4.49Å; V21-C160 HydrophobicContact CG1-CB 4.15Å; L150-C160 WeakPolarHBondContact CD1-SG 3.5Å; G156-C160 WeakPolarHBondContact O-CB 3.46Å; G156-C160 PolarHBondContact O-N 3.31Å; V158-C160 VanDerWaalsContact C-N 3.33Å; V158-C160 PolarHBondContact O-N 3.06Å; C160-A163 PolarHBondContact O-N 3.1Å; C160-L164 WeakPolarHBondContact O-CB 3.47Å; C160-L164 VanDerWaalsContact O-CG 3.29Å; C160-L164 WeakPolarHBondContact O-CG 3.29Å; C160-L164 PolarHBondContact O-N 3.22Å
161F93.3Very high82.4Confident0 Ų025.3 Ų25.30%013%0.127CC..Hα-helixtrans-63-44.2178.4177.3-90.6000112.1G157 V158 L164 C165 L292 L296 L311 P313 I318 W439G157-F161 WeakPolarHBondContact O-CB 3.34Å; G157-F161 PolarHBondContact O-N 3.43Å; V158-F161 PolarHBondContact O-N 2.97Å; F161-L164 WeakPolarHBondContact O-CB 3.22Å; F161-L164 PolarHBondContact O-N 3.46Å; F161-C165 WeakPolarHBondContact CE1-SG 3.49Å; F161-C165 PolarHBondContact O-N 3.35Å; F161-C165 PolarHBondContact O-SG 2.85Å; F161-L292 HydrophobicContact CB-CD1 4.02Å; F161-L292 HydrophobicContact CB-CD2 3.78Å; F161-L292 HydrophobicContact CD1-CD1 3.57Å; F161-L292 HydrophobicContact CD1-CD2 4.14Å; F161-L292 HydrophobicContact CD1-CG 4.47Å; F161-L292 HydrophobicContact CD2-CD1 4.5Å; F161-L292 HydrophobicContact CD2-CD2 3.53Å; F161-L292 HydrophobicContact CE1-CD1 4.17Å; F161-L292 HydrophobicContact CE2-CD2 4.14Å; F161-L292 HydrophobicContact CG-CD1 3.76Å; F161-L292 HydrophobicContact CG-CD2 3.52Å; F161-L292 HydrophobicContact CG-CG 4.29Å; F161-L296 HydrophobicContact CE1-CD2 3.94Å; F161-L296 HydrophobicContact CZ-CD1 4.44Å; F161-L296 HydrophobicContact CZ-CD2 4.37Å; F161-L311 HydrophobicContact CE1-CD1 4.36Å; F161-L311 HydrophobicContact CZ-CD1 4.28Å; F161-P313 HydrophobicContact CD2-CB 4.42Å; F161-P313 HydrophobicContact CE2-CB 4.16Å; F161-P313 HydrophobicContact CE2-CG 3.99Å; F161-I318 HydrophobicContact CD2-CD1 3.96Å; F161-I318 HydrophobicContact CE2-CD1 4.03Å; F161-W439 HydrophobicContact CE2-CD2 4.42Å; F161-W439 HydrophobicContact CE2-CE3 4.03Å; F161-W439 AromaticContact CE2-CH2 3.52Å; F161-W439 HydrophobicContact CE2-CH2 3.52Å; F161-W439 AromaticContact CE2-CZ2 3.94Å; F161-W439 HydrophobicContact CE2-CZ2 3.94Å; F161-W439 AromaticContact CE2-CZ3 3.56Å; F161-W439 HydrophobicContact CE2-CZ3 3.56Å; F161-W439 AromaticContact CZ-CH2 3.43Å; F161-W439 HydrophobicContact CZ-CH2 3.43Å; F161-W439 VanDerWaalsContact CZ-CH2 3.43Å; F161-W439 AromaticContact CZ-CZ2 3.72Å; F161-W439 HydrophobicContact CZ-CZ2 3.72Å; F161-W439 AromaticContact CZ-CZ3 3.98Å; F161-W439 HydrophobicContact CZ-CZ3 3.98Å
162D90.7Very high79.3Confident0 Ų031.4 Ų31.40%017%0.166CC..Hα-helixtrans-65.6-42.7177.9-75.9-12.6000111.3Y116 V120 V158 L164 C165 F166 R299Y116-D162 WeakPolarHBondContact CE1-OD2 3.34Å; Y116-D162 PolarHBondContact OH-OD2 2.86Å; V120-D162 HydrophobicContact CG2-CB 4.22Å; V158-D162 PolarHBondContact O-N 3.16Å; V158-D162 VanDerWaalsContact O-N 3.1Å; D162-L164 VanDerWaalsContact C-N 3.3Å; D162-L164 PolarHBondContact O-N 2.98Å; D162-C165 WeakPolarHBondContact O-CB 3.5Å; D162-C165 PolarHBondContact O-N 2.86Å; D162-F166 HydrophobicContact CB-CE2 4.27Å; D162-F166 WeakPolarHBondContact O-CD2 3.31Å; D162-F166 PolarHBondContact O-N 3.37Å; D162-R299 IonicContact OD1-CZ 3.95Å; D162-R299 IonicContact OD1-NH1 2.8Å; D162-R299 PolarHBondContact OD1-NH1 3.44Å; D162-R299 IonicContact OD1-NH2 2.81Å; D162-R299 PolarHBondContact OD1-NH2 2.68Å; D162-R299 IonicContact OD2-CZ 3.48Å; D162-R299 IonicContact OD2-NH1 3.92Å; D162-R299 PolarHBondContact OD2-NH1 2.83Å; D162-R299 IonicContact OD2-NH2 2.71Å; D162-R299 PolarHBondContact OD2-NH2 2.8Å
163A91.3Very high76.1Confident0 Ų034.9 Ų34.90%020%0.202CC..Hα-helixtrans-58.5-38.7173.300000113.2V120 I124 L159 C160 S167 F278V120-A163 HydrophobicContact CG1-CB 4.16Å; I124-A163 HydrophobicContact CD1-CB 3.95Å; I124-A163 HydrophobicContact CG1-CB 3.63Å; L159-A163 VanDerWaalsContact O-CB 3.3Å; L159-A163 WeakPolarHBondContact O-CB 3.33Å; L159-A163 PolarHBondContact O-N 2.79Å; C160-A163 PolarHBondContact O-N 3.1Å; A163-S167 WeakPolarHBondContact O-CB 3.46Å; A163-S167 PolarHBondContact O-N 2.83Å; A163-S167 VanDerWaalsContact O-N 3.08Å; A163-S167 PolarHBondContact O-OG 2.95Å; A163-F278 HydrophobicContact CB-CE1 4.48Å; A163-F278 HydrophobicContact CB-CE2 3.83Å; A163-F278 HydrophobicContact CB-CZ 3.55Å
164L91Very high72.9Confident1 Ų140.3 Ų40.31%0.00524%0.24CC..Hα-helixtrans-65.4-36.7173.2-74.9168.8000112.2L150 C160 F161 D162 F278 V282 C285 P313 A314 C315L150-L164 HydrophobicContact CD1-CD1 4.42Å; L150-L164 HydrophobicContact CD1-CD2 4.06Å; L150-L164 HydrophobicContact CD1-CG 4.25Å; C160-L164 WeakPolarHBondContact O-CB 3.47Å; C160-L164 VanDerWaalsContact O-CG 3.29Å; C160-L164 WeakPolarHBondContact O-CG 3.29Å; C160-L164 PolarHBondContact O-N 3.22Å; F161-L164 WeakPolarHBondContact O-CB 3.22Å; F161-L164 PolarHBondContact O-N 3.46Å; D162-L164 VanDerWaalsContact C-N 3.3Å; D162-L164 PolarHBondContact O-N 2.98Å; L164-F278 HydrophobicContact CD2-CD2 4.23Å; L164-F278 HydrophobicContact CD2-CE2 3.97Å; L164-F278 HydrophobicContact CG-CE2 4.14Å; L164-V282 HydrophobicContact CD2-CB 4.03Å; L164-V282 HydrophobicContact CD2-CG1 4.24Å; L164-V282 HydrophobicContact CD2-CG2 3.89Å; L164-C285 HydrophobicContact CD1-CB 3.93Å; L164-P313 HydrophobicContact CB-CB 3.77Å; L164-A314 WeakPolarHBondContact CD2-O 3.45Å; L164-A314 VanDerWaalsContact O-CB 3.3Å; L164-A314 WeakPolarHBondContact O-CB 3.4Å; L164-A314 PolarHBondContact O-N 3.29Å; L164-C315 HydrophobicContact CD1-CB 4.42Å; L164-C315 HydrophobicContact CD2-CB 4.13Å
165C87.7Confident70.5Confident10 Ų1045.2 Ų45.27%0.06827%0.272CS..Hα-helixtrans-69.5-41.9177-66.90000112.1F161 D162 S167F161-C165 WeakPolarHBondContact CE1-SG 3.49Å; F161-C165 PolarHBondContact O-N 3.35Å; F161-C165 PolarHBondContact O-SG 2.85Å; D162-C165 WeakPolarHBondContact O-CB 3.5Å; D162-C165 PolarHBondContact O-N 2.86Å; C165-S167 VanDerWaalsContact C-N 3.3Å; C165-S167 PolarHBondContact O-N 2.88Å
166F80.6Confident67.6Low16 Ų1652.6 Ų52.67%0.0731%0.311CS..Hα-helixtrans-65.4-33175.2-68.5-62.8000112.9V120 D162 N168 L256 P275V120-F166 HydrophobicContact CG1-CD2 3.96Å; V120-F166 HydrophobicContact CG1-CE2 4.1Å; D162-F166 HydrophobicContact CB-CE2 4.27Å; D162-F166 WeakPolarHBondContact O-CD2 3.31Å; D162-F166 PolarHBondContact O-N 3.37Å; F166-N168 PolarHBondContact O-N 2.87Å; F166-N168 VanDerWaalsContact O-N 3.14Å; F166-L256 HydrophobicContact CD1-CD1 4.33Å; F166-L256 HydrophobicContact CE1-CD1 4.31Å; F166-P275 HydrophobicContact CB-CG 4.2Å; F166-P275 HydrophobicContact CD1-CG 3.96Å; F166-P275 HydrophobicContact CD2-CG 3.56Å; F166-P275 HydrophobicContact CE1-CG 4.21Å; F166-P275 HydrophobicContact CE2-CG 3.84Å; F166-P275 HydrophobicContact CG-CG 3.64Å; F166-P275 HydrophobicContact CZ-CG 4.15Å
167S71.7Confident64.5Low20 Ų2058.5 Ų58.514%0.1435%0.353CS..THydrogen-bonded Turntrans-66.7-14-177.3-63.60000114.8A163 C165 R277 F278A163-S167 WeakPolarHBondContact O-CB 3.46Å; A163-S167 PolarHBondContact O-N 2.83Å; A163-S167 VanDerWaalsContact O-N 3.08Å; A163-S167 PolarHBondContact O-OG 2.95Å; C165-S167 VanDerWaalsContact C-N 3.3Å; C165-S167 PolarHBondContact O-N 2.88Å; S167-R277 WeakPolarHBondContact OG-CA 3.34Å; S167-F278 WeakPolarHBondContact OG-CD2 3.44Å; S167-F278 PolarHBondContact OG-N 3.42Å; S167-F278 VanDerWaalsContact OG-N 3.17Å
168N61.5Low61.5Low84 Ų8464.2 Ų64.245%0.44939%0.393SS..THydrogen-bonded Turntrans-882.6-175.1-152.46.6000114.6F166 R312 A314F166-N168 PolarHBondContact O-N 2.87Å; F166-N168 VanDerWaalsContact O-N 3.14Å; N168-R312 VanDerWaalsContact ND2-CB 3.31Å; N168-R312 WeakPolarHBondContact ND2-CB 3.47Å; N168-R312 PolarHBondContact ND2-O 3.4Å; N168-A314 HydrophobicContact CB-CB 4.12Å
169H51.8Low58.4Low75 Ų7569.1 Ų69.135%0.34743%0.427SS..SBendtrans-83.8129.5178.2-78.2-96.2000112L256H169-L256 WeakPolarHBondContact NE2-CD1 3.4Å
170P38.7Very low55.4Low115 Ų11579.8 Ų79.875%0.74747%0.468SS*.PPolyproline II helixtrans-65.1149.5179.926.9-34.1000111.7
171R38.1Very low52.4Low192 Ų19285.9 Ų85.973%0.72550%0.5SS*.PPolyproline II helixtrans-54.7131174.8-76.2175.7167.7170.7-6.8110.4G173R171-G173 PolarHBondContact O-N 3.02Å; R171-G173 VanDerWaalsContact O-N 3.12Å
172P32.9Very low49.2Very low127 Ų12792.3 Ų92.383%0.82554%0.535SS*.PPolyproline II helixtrans-54.4118.5152.6-20.232.7000107.5S174P172-S174 PolarHBondContact O-N 2.96Å
173G29.6Very low46.2Very low73 Ų7397.5 Ų97.575%0.75357%0.571SS**PPolyproline II helixtrans-66.4125.9-166.100000112.7R171R171-G173 PolarHBondContact O-N 3.02Å; R171-G173 VanDerWaalsContact O-N 3.12Å
174S26.2Very low43Very low115 Ų115103.6 Ų103.680%0.80461%0.608SS**PPolyproline II helixtrans-78.5132.4156-162.70000108P172P172-S174 PolarHBondContact O-N 2.96Å
175P38.3Very low39.9Very low108 Ų108112 Ų11270%0.70165%0.648SS**SBendtrans-73.1147.4-176.129.4-33.9000111.9
176N30.5Very low36.9Very low160 Ų160116.2 Ų116.286%0.85668%0.677SS**  trans79.799.5177.4-57.5-19.1000117.6
177S26.6Very low34.3Very low124 Ų124122.4 Ų122.487%0.86771%0.71SS**  -170126.8104.754.40000111
178S32.2Very low32.1Very low121 Ų121129.3 Ų129.385%0.84674%0.737SS**  trans-87.3137.8-178.654.50000113.1
179S28.3Very low30.3Very low110 Ų110132.1 Ų132.177%0.76975%0.752SS**  trans-168.4118.9133.155.90000115
180R30.5Very low28.9Very low225 Ų225135.6 Ų135.685%0.84977%0.773SS**  trans62.9116.8132.9-73.1-176.5156.9157.6-6122.4
181N29.3Very low28.2Very low127 Ų127137.5 Ų137.568%0.67978%0.778SS**  95.395119.4-72.622.5000120.9
182N26.4Very low27.5Very low136 Ų136134.1 Ų134.173%0.72778%0.778SS**  145.8113113.9-75.1-9.3000109.1
183S26.7Very low27Very low108 Ų108134.3 Ų134.376%0.75578%0.781SS**  62.5122.173.1-54.40000110.9
184T24.6Very low26.6Very low128 Ų128142 Ų14279%0.78579%0.788SS**  cis-147.5160.817.447.80000108.7
185E25.2Very low26.5Very low179 Ų179144.5 Ų144.584%0.83679%0.791SS**  -163.9144.660.5-109.3-175.3140.600113.3
186S24.3Very low25.7Very low97 Ų97149.1 Ų149.168%0.67879%0.794SS**  trans-56164.6155.340.90000113.8
187L26.1Very low25.3Very low147 Ų147148.4 Ų148.477%0.7779%0.786SS**  cis-172.6167.519.6-126.4164.9000109.8
188K26.7Very low25.1Very low164 Ų164148 Ų14871%0.71378%0.783SS**  trans74.1146161.4-65.5-176.4177-170.80118.5
189D24.5Very low24.7Very low143 Ų143148 Ų14877%0.76578%0.783SS**  cis-142.5151.3-7.1-100.5-33.5000109.9
190D21.8Very low24.7Very low148 Ų148149 Ų14979%0.79179%0.787SS**  trans-98136.8178-163.21.2000109.6
191N23.8Very low24.3Very low156 Ų156141.4 Ų141.483%0.83478%0.779SS**  trans-159.4116.4164.3-117.8-31.2000114.2
192T23.1Very low24.2Very low121 Ų121143.3 Ų143.374%0.74279%0.788SS**  trans-59.3147.1175.442.70000114.9
193C22.7Very low24Very low131 Ų131142.2 Ų142.289%0.88579%0.791SS**  trans-149131.8140.1-139.30000112.1
194R21.7Very low23.9Very low235 Ų235142 Ų14289%0.88779%0.789SS**  trans-105.4142.6179.2-72177.2167.5-175.4-3.2110.5
195L23.5Very low23.8Very low166 Ų166140.3 Ų140.387%0.86978%0.782SS**  trans-168.6103153.9-95138.2000106.2
196R21.7Very low23.9Very low206 Ų206140.7 Ų140.778%0.77778%0.782SS**  87.3104.761.7-170.3176.4-171.4-162.9-2.7113.4
197E22.1Very low24.1Very low145 Ų145146 Ų14668%0.67879%0.787SS**  trans47.1130.2145.9-58.2170.915400119
198S22.8Very low24.1Very low116 Ų116145.7 Ų145.781%0.81179%0.785SS**  -175.315580.938.40000113.6
199S23.6Very low24Very low121 Ų121143 Ų14385%0.84679%0.787SS**  trans-132.8145.9167.4-51.40000109.9
200P27.9Very low24.2Very low131 Ų131145.6 Ų145.685%0.85179%0.791SS**  trans-134.7162.7136.436-24000110.9
201G22.4Very low24.5Very low65 Ų65144.2 Ų144.267%0.6779%0.794SS**  cis134.5135.21.100000112
202L26.9Very low24.7Very low167 Ų167143.6 Ų143.687%0.87479%0.79SS**  trans79.4115.1168.3-49.9174000116.9
203S22.2Very low24.9Very low112 Ų112145.4 Ų145.478%0.78379%0.794SS**  84.6148.690.297.30000113.2
204S23.3Very low25.1Very low103 Ų103145.2 Ų145.272%0.7278%0.784SS**  cis-155.6144.620.387.70000108.9
205S23.8Very low25.3Very low93 Ų93141 Ų14165%0.6578%0.777SS**  92.113882.2-159.60000115.9
206K27.7Very low25.5Very low188 Ų188138.5 Ų138.582%0.81777%0.774SS**  trans74.3148.6162.4-69.4159.4-170.9175.60118.6
207R27.3Very low25.8Very low208 Ų208133.2 Ų133.279%0.78577%0.774SS**  cis-176.6165.8-20.2-156179.2-154.4-129.96108.9
208L25.8Very low26.4Very low140 Ų140132 Ų13273%0.73378%0.779SS**  trans74.6149.3165-49.6174.7000115.6
209S25.1Very low26.6Very low109 Ų109132.5 Ų132.576%0.76277%0.773SS**  cis-157.6164.6-12.8-111.20000111.6
210K29Very low26.8Very low196 Ų196135.1 Ų135.185%0.85277%0.772SS**  trans-77.7154.7-178-56.3168.7176.3178.10113.6
211S28.1Very low26.8Very low120 Ų120132.8 Ų132.884%0.83977%0.771SS**  -157.3152.6124.447.50000111.2
212N27.1Very low27Very low142 Ų142139.6 Ų139.676%0.75979%0.785SS**  trans-116.1-178.1-173.1-71.9-10000111
213I29Very low27Very low159 Ų159135.4 Ų135.482%0.81578%0.782SS**  trans99.5143.1157.6-63.1152.5000114.3
214D25.4Very low27.2Very low127 Ų127133.3 Ų133.368%0.67978%0.778SS**  cis167.9140.8-38-118.7-29.3000105.8
215I27.4Very low27.6Very low146 Ų146134.9 Ų134.975%0.74979%0.787SS**  trans54.2115.7150-54.2161.4000119.2
216S26.3Very low27.6Very low115 Ų115135.8 Ų135.880%0.80479%0.793SS**  -177.6139.5108.253.40000114.2
217A28Very low27.6Very low94 Ų94135.4 Ų135.478%0.77780%0.799SS**  trans-102.7170.4158.200000108.1
218P36.2Very low27.5Very low121 Ų121131.1 Ų131.179%0.78680%0.801SS**  cis-126.8-156.140.936-13.3000112
219N26.1Very low27.6Very low126 Ų126136 Ų13667%0.67481%0.809SS**  cis-153.9-179.811.7-16134.9000114.2
220E27.6Very low27.7Very low176 Ų176139.6 Ų139.682%0.82281%0.811SS**  trans-20.6142.5167.6-67.6168.5130.800120.8
221G27.4Very low27.6Very low81 Ų81136.9 Ų136.984%0.83580%0.802SS**  trans174.8128.7162.500000112.9
222Q28.3Very low27.6Very low208 Ų208136.4 Ų136.497%0.97280%0.798SS**  trans-82.4152.8-174.7-65.5169.2-18.700113.8
223G25.5Very low27.5Very low79 Ų79137.1 Ų137.181%0.81480%0.802SS**  trans11698.4141.600000118.9
224G27.3Very low27.4Very low68 Ų68134.5 Ų134.570%0.70180%0.798SS**  trans66.3117.1144.400000119.7S226G224-S226 PolarHBondContact O-N 3.19Å
225P30.3Very low27.5Very low137 Ų137138.8 Ų138.889%0.8981%0.806SS**  trans-79.3103.8171.731.5-31.5000111.6
226S24.1Very low27.6Very low112 Ų112138.4 Ų138.478%0.78381%0.805SS**  trans-81.4133162.857.80000110.3G224 S228G224-S226 PolarHBondContact O-N 3.19Å; S226-S228 PolarHBondContact O-N 3.22Å
227L27.3Very low27.7Very low180 Ų180136.7 Ų136.794%0.94281%0.806SS**  trans-73.2111.2-176.5-70.8163.7000111.7
228S25.9Very low27.6Very low118 Ų118139.5 Ų139.583%0.82581%0.808SS**  trans-93.2100.7172.354.70000112S226S226-S228 PolarHBondContact O-N 3.22Å
229R27.3Very low27.3Very low243 Ų243139.7 Ų139.792%0.91781%0.807SS**  trans-78.9116.1175.2172.1-175.3178.5170.50.6111.3
230K27.8Very low27.3Very low183 Ų183139.1 Ų139.180%0.79681%0.813SS**  trans177.5155160.7-103.7-178.4179.9-171.30108.5
231Q26.3Very low27.6Very low140 Ų140135 Ų13565%0.65480%0.804SS**  cis-153.1150.1-16-164.7161.7-36.400106.3
232S28.1Very low27.8Very low109 Ų109137.4 Ų137.476%0.76280%0.803SS**  trans-77.7127.8175.5510000111.1
233D25.6Very low27.9Very low158 Ų158130.5 Ų130.585%0.84579%0.787SS**  trans-134.9143.3162.7-80.6-47.9000110.2
234S28Very low28.5Very low104 Ų104133.9 Ų133.973%0.72778%0.781SS**  trans-107138.7-173.252.50000111.8
235Y25.9Very low28.8Very low217 Ų217137.7 Ų137.785%0.85178%0.781SS**  trans-163.4167.6135.2-136.8-108.1000114.1
236D29.5Very low29Very low137 Ų137137.5 Ų137.573%0.73377%0.772SS**  trans-69.5158-172-58.3-71.9000115.5
237G28.2Very low29.8Very low80 Ų80140.3 Ų140.383%0.82577%0.77SS**  trans-168.3105173.400000112.6
238D26.4Very low30.4Very low153 Ų153135.6 Ų135.682%0.81874%0.743SS**  trans-75.8157-173.8-139.2-34.4000114
239T29.9Very low30.9Very low124 Ų124133.4 Ų133.476%0.76173%0.727SS**  trans-35.1133.4-178.145.50000119.5
240S26.9Very low31.4Very low114 Ų114126.4 Ų126.480%0.79772%0.715SS**  trans-145.7117.4140.459.90000111.3
241S32.8Very low32.3Very low90 Ų90118.8 Ų118.863%0.62969%0.685SS**  trans-102.821.7-159.149.20000115.5G243S241-G243 PolarHBondContact O-N 2.9Å
242T33.1Very low33.5Very low132 Ų132114.4 Ų114.481%0.8167%0.669SS**THydrogen-bonded Turntrans-83.7-10.6-168.3-28.50000114.8
243G30.3Very low34.4Very low62 Ų62110.1 Ų110.164%0.63964%0.636SS**THydrogen-bonded Turntrans-84.7-21.7-177.600000116S241S241-G243 PolarHBondContact O-N 2.9Å
244Q36.7Very low35.2Very low150 Ų150104.3 Ų104.370%0.70161%0.608SS**THydrogen-bonded Turntrans-86.1-17.4-166.6-69.8-179.4-14.600114.7N246Q244-N246 PolarHBondContact O-N 2.92Å
245H34.3Very low35.9Very low148 Ų148102.6 Ų102.669%0.68560%0.596SS**THydrogen-bonded Turntrans-76.3-16.6-175.8-84.2-81.1000115.4S249H245-S249 PolarHBondContact O-OG 2.95Å
246N35Very low36.8Very low134 Ų13494.3 Ų94.372%0.71757%0.566SS**Hα-helixtrans-76.3-26.1-179.4-84.7-2.2000113.8Q244Q244-N246 PolarHBondContact O-N 2.92Å
247F41.3Very low37.3Very low170 Ų17093 Ų9375%0.74656%0.557SS**Hα-helixtrans-71-29.6-178.7-91.9-86.5000114.1S250F247-S250 PolarHBondContact O-OG 2.71Å; F247-S250 VanDerWaalsContact O-OG 3.11Å
248F40.1Very low37.8Very low82 Ų8296.3 Ų96.336%0.3655%0.548SS..Hα-helixtrans-92.4-16.7178.2-63.5-72000113.2V112 S250 S251 V302 L303V112-F248 HydrophobicContact CG2-CE1 4.36Å; F248-S250 VanDerWaalsContact C-N 3.26Å; F248-S250 PolarHBondContact O-N 3.03Å; F248-S251 VanDerWaalsContact O-CB 3.26Å; F248-S251 WeakPolarHBondContact O-CB 3.33Å; F248-S251 PolarHBondContact O-N 3.12Å; F248-S251 VanDerWaalsContact O-N 3.13Å; F248-S251 PolarHBondContact O-OG 3.16Å; F248-V302 HydrophobicContact CB-CG1 4.17Å; F248-V302 HydrophobicContact CD1-CG1 3.54Å; F248-V302 HydrophobicContact CD2-CG1 3.93Å; F248-V302 HydrophobicContact CE1-CG1 3.82Å; F248-V302 HydrophobicContact CE2-CG1 4.18Å; F248-V302 HydrophobicContact CG-CG1 3.59Å; F248-V302 HydrophobicContact CZ-CG1 4.13Å; F248-L303 HydrophobicContact CB-CD2 4.41Å
249S34.4Very low38.3Very low72 Ų7297.3 Ų97.350%0.50355%0.548SS..Hα-helixtrans-70.1-22.1179.3-66.20000113.3H245 S251H245-S249 PolarHBondContact O-OG 2.95Å; S249-S251 VanDerWaalsContact C-N 3.31Å
250S37.8Very low38.5Very low95 Ų9594.8 Ų94.866%0.66455%0.547SS*.THydrogen-bonded Turntrans-83.11171.953.70000114F247 F248F247-S250 PolarHBondContact O-OG 2.71Å; F247-S250 VanDerWaalsContact O-OG 3.11Å; F248-S250 VanDerWaalsContact C-N 3.26Å; F248-S250 PolarHBondContact O-N 3.03Å
251S47.4Very low38.9Very low24 Ų2495.2 Ų95.217%0.16855%0.545CS..  trans-63.2133.8176.561.60000111F248 S249 W253 S254 L303F248-S251 VanDerWaalsContact O-CB 3.26Å; F248-S251 WeakPolarHBondContact O-CB 3.33Å; F248-S251 PolarHBondContact O-N 3.12Å; F248-S251 VanDerWaalsContact O-N 3.13Å; F248-S251 PolarHBondContact O-OG 3.16Å; S249-S251 VanDerWaalsContact C-N 3.31Å; S251-W253 PolarHBondContact O-N 3.38Å; S251-S254 WeakPolarHBondContact O-CB 3.24Å; S251-S254 PolarHBondContact O-N 3.45Å; S251-L303 WeakPolarHBondContact OG-CD1 3.36Å
252P50.8Low38.7Very low47 Ų4799.6 Ų99.631%0.30556%0.555SS.*Hα-helixtrans-55.7-29-178.6-28.434.4000113.9Q117 S254 S255 L256Q117-P252 VanDerWaalsContact CD-CG 3.47Å; Q117-P252 HydrophobicContact CG-CG 3.54Å; P252-S254 PolarHBondContact O-N 3.32Å; P252-S255 PolarHBondContact O-N 2.79Å; P252-L256 PolarHBondContact O-N 3.49Å
253W47.6Very low38.7Very low19 Ų19100.6 Ų100.67%0.07256%0.561CS.*Hα-helixtrans-63.3-26176.3-67.874.9000113.7S251 L303 I306 L311S251-W253 PolarHBondContact O-N 3.38Å; W253-L303 HydrophobicContact CB-CD1 4.24Å; W253-I306 HydrophobicContact CB-CD1 3.84Å; W253-I306 HydrophobicContact CD2-CD1 4.18Å; W253-I306 HydrophobicContact CE3-CD1 3.72Å; W253-I306 HydrophobicContact CE3-CG1 4.38Å; W253-I306 HydrophobicContact CE3-CG2 4.26Å; W253-I306 HydrophobicContact CG-CD1 4.24Å; W253-I306 HydrophobicContact CZ3-CG2 4.24Å; W253-L311 HydrophobicContact CE3-CD2 4.38Å; W253-L311 HydrophobicContact CH2-CD1 3.7Å; W253-L311 HydrophobicContact CH2-CD2 3.58Å; W253-L311 HydrophobicContact CH2-CG 4.26Å; W253-L311 HydrophobicContact CZ3-CD1 3.61Å; W253-L311 HydrophobicContact CZ3-CD2 3.28Å; W253-L311 HydrophobicContact CZ3-CG 3.96Å
254S42.3Very low38.6Very low37 Ų37108.9 Ų108.926%0.25957%0.573SS.*Hα-helixtrans-70.3-33.6170.8-176.40000112.2S251 P252 K258S251-S254 WeakPolarHBondContact O-CB 3.24Å; S251-S254 PolarHBondContact O-N 3.45Å; P252-S254 PolarHBondContact O-N 3.32Å; S254-K258 WeakPolarHBondContact O-CG 3.43Å
255S43.6Very low38.7Very low67 Ų67106 Ų10647%0.46958%0.584SS.*Hα-helixtrans-80.1-39.4175.4-65.80000112.2P252 M257 K258P252-S255 PolarHBondContact O-N 2.79Å; S255-M257 PolarHBondContact O-N 2.8Å; S255-K258 PolarHBondContact O-N 3.33Å
256L45.2Very low38.3Very low44 Ų44102.5 Ų102.523%0.2359%0.587CS.*Hα-helixtrans-53.5-30.9-179.9-160.473000113.5F166 H169 P252F166-L256 HydrophobicContact CD1-CD1 4.33Å; F166-L256 HydrophobicContact CE1-CD1 4.31Å; H169-L256 WeakPolarHBondContact NE2-CD1 3.4Å; P252-L256 PolarHBondContact O-N 3.49Å
257M40.1Very low38.4Very low108 Ų108102.1 Ų102.153%0.53260%0.595SS.*THydrogen-bonded Turntrans-98.2-9.7-179.2-63.3-68.9-78.800114S255S255-M257 PolarHBondContact O-N 2.8Å
258K38.7Very low37.8Very low150 Ų15099.4 Ų99.465%0.65260%0.597SS**G310 helixtrans-84.7-16.7-178.4-88.7-176.7176.8-177.50114.3S254 S255 G260S254-K258 WeakPolarHBondContact O-CG 3.43Å; S255-K258 PolarHBondContact O-N 3.33Å; K258-G260 PolarHBondContact O-N 2.98Å; K258-G260 VanDerWaalsContact O-N 3.14Å
259E36.4Very low37.5Very low174 Ų174102.2 Ų102.281%0.81362%0.621SS**G310 helixtrans-71.1-4.9-178.4-130.1174.6-167.100114.1
260G34.6Very low37.3Very low72 Ų72103.6 Ų103.674%0.74263%0.631SS**G310 helixtrans-88-7.9179.400000116.3K258K258-G260 PolarHBondContact O-N 2.98Å; K258-G260 VanDerWaalsContact O-N 3.14Å
261V34.6Very low37.2Very low122 Ų122106.6 Ų106.674%0.73964%0.639SS**SBendtrans-139.8126.6-173.8178.10000111.7
262E28.2Very low36.9Very low183 Ų183110.9 Ų110.986%0.85566%0.664SS**  trans69.293.3173.6-69.3-170.7169.200119.2R264E262-R264 PolarHBondContact O-N 2.77Å
263V33.8Very low36.9Very low153 Ų153115.4 Ų115.493%0.92769%0.685SS**  trans-81.799.7149177.40000109.3
264R28.9Very low37.7Very low236 Ų236119.5 Ų119.589%0.89171%0.708SS**  trans-140.8134.1151.8-94.6-172.7-179.3-165.9-0.6110.1E262E262-R264 PolarHBondContact O-N 2.77Å
265G37.6Very low39Very low90 Ų90118.5 Ų118.593%0.92870%0.7SS**  trans-70.6141.5-161.700000115.3
266G26.6Very low40.6Very low74 Ų74116.5 Ų116.576%0.76369%0.691SS**  trans-158.7116.7166.400000109.1S268G266-S268 PolarHBondContact O-N 2.89Å
267S36.7Very low42.6Very low125 Ų125119.2 Ų119.287%0.87470%0.698SS**  trans-73.6105.7-176.9-1760000111.1
268S28.3Very low45Very low113 Ų113114.7 Ų114.779%0.7968%0.675SS**  trans-151.5108.9166.3-80.40000109.5G266 S270G266-S268 PolarHBondContact O-N 2.89Å; S268-S270 PolarHBondContact O-N 2.81Å
269T33.2Very low47.4Very low141 Ų141111.8 Ų111.887%0.86567%0.667SS**  trans-73.188.7-179.747.20000111.7
270S30.1Very low50Low102 Ų102104.4 Ų104.471%0.71363%0.632SS**  trans-92.9114.2157.5-173.60000108.4S268 V272S268-S270 PolarHBondContact O-N 2.81Å; S270-V272 PolarHBondContact O-N 2.88Å
271L36.9Very low52.6Low157 Ų157108 Ų10882%0.82263%0.63SS**  trans-72.994.1-179.9-69.9166.9000109.7L273L271-L273 PolarHBondContact O-N 3.11Å
272V41.2Very low55.3Low115 Ų115102.3 Ų102.370%0.69760%0.595SS**  trans-71.399.4174.4179.30000108.4S270 N274S270-V272 PolarHBondContact O-N 2.88Å; V272-N274 PolarHBondContact O-N 2.97Å
273L50.6Low58.3Low142 Ų14294.1 Ų94.174%0.74356%0.558SS**  trans-72.294.8175.4-72.6168.9000110.1L271 P275L271-L273 PolarHBondContact O-N 3.11Å; L273-P275 WeakPolarHBondContact O-CD 3.41Å
274N64.6Low61.1Low104 Ų10487.9 Ų87.956%0.55652%0.52SS*.  trans-69.6118.9161.3-176.3-32.4000107.9V272 G276V272-N274 PolarHBondContact O-N 2.97Å; N274-G276 PolarHBondContact O-N 3.35Å; N274-G276 VanDerWaalsContact O-N 3.1Å; N274-G276 PolarHBondContact OD1-N 3.04Å; N274-G276 VanDerWaalsContact OD1-N 3.08Å
275P69.1Low64.3Low16 Ų1676.7 Ų76.710%0.10448%0.477CS..  trans-69.5-6.3-173.427.9-34.9000114.2V120 A121 I124 F166 L273V120-P275 HydrophobicContact CG1-CB 4.39Å; V120-P275 HydrophobicContact CG1-CG 4.44Å; A121-P275 WeakPolarHBondContact CA-O 3.43Å; A121-P275 HydrophobicContact CB-CB 3.79Å; A121-P275 WeakPolarHBondContact CB-O 3.4Å; I124-P275 HydrophobicContact CD1-CB 4.43Å; F166-P275 HydrophobicContact CB-CG 4.2Å; F166-P275 HydrophobicContact CD1-CG 3.96Å; F166-P275 HydrophobicContact CD2-CG 3.56Å; F166-P275 HydrophobicContact CE1-CG 4.21Å; F166-P275 HydrophobicContact CE2-CG 3.84Å; F166-P275 HydrophobicContact CG-CG 3.64Å; F166-P275 HydrophobicContact CZ-CG 4.15Å; L273-P275 WeakPolarHBondContact O-CD 3.41Å
276G77.6Confident67.1Low26 Ų2672.4 Ų72.427%0.26843%0.433SS..  trans113.1-170.5177.500000112.9N274N274-G276 PolarHBondContact O-N 3.35Å; N274-G276 VanDerWaalsContact O-N 3.1Å; N274-G276 PolarHBondContact OD1-N 3.04Å; N274-G276 VanDerWaalsContact OD1-N 3.08Å
277R87.3Confident70.5Confident100 Ų10068.9 Ų68.938%0.37740%0.397SS..  trans-143.2162.5171.864.6167176.8-91.6-23.8111.1I124 N128 S167I124-R277 VanDerWaalsContact CG2-C 3.49Å; I124-R277 VanDerWaalsContact CG2-O 3.23Å; I124-R277 WeakPolarHBondContact CG2-O 3.35Å; N128-R277 PolarHBondContact ND2-O 3.3Å; S167-R277 WeakPolarHBondContact OG-CA 3.34Å
278F90.8Very high73.3Confident13 Ų1363 Ų636%0.05736%0.356CS..  trans-65.5143.9168.2-60.3-60000111.5I124 A127 N128 L150 A163 L164 S167 F280 V282I124-F278 HydrophobicContact CG1-CE1 4.26Å; I124-F278 HydrophobicContact CG1-CZ 4.47Å; A127-F278 HydrophobicContact CB-CD1 3.93Å; A127-F278 HydrophobicContact CB-CE1 3.6Å; N128-F278 VanDerWaalsContact OD1-CA 3.31Å; N128-F278 WeakPolarHBondContact OD1-CA 3.36Å; L150-F278 HydrophobicContact CD1-CD2 4.46Å; L150-F278 HydrophobicContact CD1-CE2 3.78Å; L150-F278 HydrophobicContact CD1-CZ 3.88Å; A163-F278 HydrophobicContact CB-CE1 4.48Å; A163-F278 HydrophobicContact CB-CE2 3.83Å; A163-F278 HydrophobicContact CB-CZ 3.55Å; L164-F278 HydrophobicContact CD2-CD2 4.23Å; L164-F278 HydrophobicContact CD2-CE2 3.97Å; L164-F278 HydrophobicContact CG-CE2 4.14Å; S167-F278 WeakPolarHBondContact OG-CD2 3.44Å; S167-F278 PolarHBondContact OG-N 3.42Å; S167-F278 VanDerWaalsContact OG-N 3.17Å; F278-F280 HydrophobicContact CB-CD1 4.35Å; F278-F280 HydrophobicContact CB-CD2 4.37Å; F278-F280 HydrophobicContact CB-CE1 4.1Å; F278-F280 HydrophobicContact CB-CE2 4.13Å; F278-F280 HydrophobicContact CB-CG 4.48Å; F278-F280 HydrophobicContact CB-CZ 3.98Å; F278-F280 HydrophobicContact CD1-CE1 4.11Å; F278-F280 HydrophobicContact CD1-CE2 4.36Å; F278-F280 AromaticContact CD1-CZ 3.67Å; F278-F280 HydrophobicContact CD1-CZ 3.67Å; F278-F280 HydrophobicContact CE1-CZ 4.4Å; F278-F280 HydrophobicContact CG-CE1 4.42Å; F278-F280 HydrophobicContact CG-CE2 4.21Å; F278-F280 AromaticContact CG-CZ 3.94Å; F278-F280 HydrophobicContact CG-CZ 3.94Å; F278-F280 PolarHBondContact O-N 3.02Å; F278-V282 HydrophobicContact CD2-CG2 4.39Å
279D88.9Confident76.4Confident89 Ų8957.6 Ų57.648%0.47632%0.318SS..SBendtrans-83.73.4176.2-72.2-28000112.8N128 H132N128-D279 VanDerWaalsContact ND2-CG 3.32Å; N128-D279 PolarHBondContact ND2-OD2 2.93Å; N128-D279 PolarHBondContact OD1-N 2.9Å; H132-D279 IonicContact CD2-OD2 3.45Å; H132-D279 IonicContact CE1-OD2 2.65Å; H132-D279 IonicContact NE2-OD2 3.32Å; H132-D279 PolarHBondContact NE2-OD2 3.42Å
280F90Very high79.3Confident19 Ų1950.9 Ų50.98%0.08328%0.277CS..SBendtrans-137.2155.1-17652.5-91.4000110.5L19 A127 N128 Y131 V148 L150 F278 V282L19-F280 HydrophobicContact CD1-CE1 4.05Å; L19-F280 HydrophobicContact CD1-CE2 3.93Å; L19-F280 HydrophobicContact CD1-CZ 3.47Å; L19-F280 VanDerWaalsContact CD1-CZ 3.47Å; A127-F280 HydrophobicContact CB-CZ 4.3Å; N128-F280 WeakPolarHBondContact OD1-CE1 3.48Å; Y131-F280 HydrophobicContact CD1-CB 4.23Å; Y131-F280 AromaticContact CD1-CD1 3.64Å; Y131-F280 HydrophobicContact CD1-CD1 3.64Å; Y131-F280 HydrophobicContact CD1-CE1 4.49Å; Y131-F280 HydrophobicContact CD1-CG 4.31Å; Y131-F280 HydrophobicContact CD2-CB 4.34Å; Y131-F280 AromaticContact CD2-CD1 3.91Å; Y131-F280 HydrophobicContact CD2-CD1 3.91Å; Y131-F280 HydrophobicContact CD2-CG 4.16Å; Y131-F280 HydrophobicContact CE1-CB 3.86Å; Y131-F280 HydrophobicContact CE1-CD1 4.17Å; Y131-F280 HydrophobicContact CE1-CG 4.43Å; Y131-F280 HydrophobicContact CE2-CB 4.02Å; Y131-F280 HydrophobicContact CE2-CD1 4.43Å; Y131-F280 HydrophobicContact CE2-CG 4.31Å; Y131-F280 HydrophobicContact CG-CB 4.45Å; Y131-F280 AromaticContact CG-CD1 3.48Å; Y131-F280 HydrophobicContact CG-CD1 3.48Å; Y131-F280 VanDerWaalsContact CG-CD1 3.48Å; Y131-F280 HydrophobicContact CG-CE1 4.03Å; Y131-F280 HydrophobicContact CG-CG 4.17Å; V148-F280 HydrophobicContact CB-CD2 3.89Å; V148-F280 HydrophobicContact CB-CE2 4.44Å; V148-F280 HydrophobicContact CG1-CD2 3.59Å; V148-F280 HydrophobicContact CG1-CE2 3.69Å; V148-F280 HydrophobicContact CG1-CG 4.37Å; V148-F280 HydrophobicContact CG2-CB 4.36Å; V148-F280 HydrophobicContact CG2-CD2 4.27Å; V148-F280 HydrophobicContact CG2-CG 4.5Å; L150-F280 HydrophobicContact CD2-CE2 4.07Å; L150-F280 HydrophobicContact CD2-CZ 4.34Å; F278-F280 HydrophobicContact CB-CD1 4.35Å; F278-F280 HydrophobicContact CB-CD2 4.37Å; F278-F280 HydrophobicContact CB-CE1 4.1Å; F278-F280 HydrophobicContact CB-CE2 4.13Å; F278-F280 HydrophobicContact CB-CG 4.48Å; F278-F280 HydrophobicContact CB-CZ 3.98Å; F278-F280 HydrophobicContact CD1-CE1 4.11Å; F278-F280 HydrophobicContact CD1-CE2 4.36Å; F278-F280 AromaticContact CD1-CZ 3.67Å; F278-F280 HydrophobicContact CD1-CZ 3.67Å; F278-F280 HydrophobicContact CE1-CZ 4.4Å; F278-F280 HydrophobicContact CG-CE1 4.42Å; F278-F280 HydrophobicContact CG-CE2 4.21Å; F278-F280 AromaticContact CG-CZ 3.94Å; F278-F280 HydrophobicContact CG-CZ 3.94Å; F278-F280 PolarHBondContact O-N 3.02Å; F280-V282 HydrophobicContact CD2-CG2 4.05Å; F280-V282 HydrophobicContact CE2-CG2 3.81Å
281E88.9Confident82.4Confident149 Ų14946.2 Ų46.270%0.69624%0.244SC*.  trans-82.8136.5174-171.6175.9176.900110.3
282V91.3Very high85.1Confident2 Ų238.7 Ų38.71%0.01221%0.205CC..EExtended strand (participates in β ladder)trans-98.3119.9-179.7179.10000109.7V148 L150 L164 F278 F280 C315 S316V148-V282 CarbonylContact O-C 3.5Å; V148-V282 WeakPolarHBondContact O-CA 3.31Å; L150-V282 HydrophobicContact CB-CG1 4.36Å; L150-V282 HydrophobicContact CD1-CG1 4.18Å; L150-V282 HydrophobicContact CD1-CG2 3.82Å; L150-V282 HydrophobicContact CG-CG1 3.81Å; L150-V282 HydrophobicContact CG-CG2 3.91Å; L164-V282 HydrophobicContact CD2-CB 4.03Å; L164-V282 HydrophobicContact CD2-CG1 4.24Å; L164-V282 HydrophobicContact CD2-CG2 3.89Å; F278-V282 HydrophobicContact CD2-CG2 4.39Å; F280-V282 HydrophobicContact CD2-CG2 4.05Å; F280-V282 HydrophobicContact CE2-CG2 3.81Å; V282-C315 HydrophobicContact CB-CB 3.99Å; V282-C315 HydrophobicContact CG1-CB 3.75Å; V282-C315 WeakPolarHBondContact O-CA 3.41Å; V282-S316 PolarHBondContact O-N 3.22Å
283S91.1Very high87.5Confident11 Ų1133.4 Ų33.48%0.07717%0.173CC..EExtended strand (participates in β ladder)trans-75.1-62.3174.7720000110.4V148 C149 S316 Q317V148-S283 PolarHBondContact O-N 3.41Å; C149-S283 PolarHBondContact SG-OG 3.09Å; S283-S316 WeakPolarHBondContact O-CA 3.48Å; S283-S316 WeakPolarHBondContact O-CB 3.23Å; S283-S316 PolarHBondContact O-N 2.82Å; S283-Q317 PolarHBondContact O-N 3.42Å
284D93.4Very high89.4Confident22 Ų2229.3 Ų29.312%0.11815%0.152CC..EExtended strand (participates in β ladder)trans-126.4137.9-172.5-54.6-80.8000110.7C149 L150 F286 F319C149-D284 CarbonylContact C-O 3.59Å; C149-D284 VanDerWaalsContact CA-O 3.24Å; C149-D284 WeakPolarHBondContact CA-O 3.45Å; C149-D284 WeakPolarHBondContact CB-O 3.44Å; L150-D284 PolarHBondContact N-O 2.97Å; D284-F286 HydrophobicContact CB-CE2 3.81Å; D284-F286 HydrophobicContact CB-CZ 4.06Å; D284-F319 HydrophobicContact CB-CD2 4.49Å; D284-F319 HydrophobicContact CB-CE2 4.09Å
285C96Very high90.6Very high0 Ų024.3 Ų24.30%013%0.125CC..EExtended strand (participates in β ladder)trans-117.9117.7174.5-177.90000110.4L150 L164 Q317 I318 F319L150-C285 CarbonylContact O-C 3.58Å; L150-C285 WeakPolarHBondContact O-CA 3.32Å; L164-C285 HydrophobicContact CD1-CB 3.93Å; C285-Q317 PolarHBondContact N-O 3.15Å; C285-I318 HydrophobicContact CB-CG1 4.26Å; C285-I318 CarbonylContact O-C 3.47Å; C285-I318 WeakPolarHBondContact O-CA 3.27Å; C285-F319 PolarHBondContact O-N 3.08Å
286F97.5Very high91.6Very high0 Ų023.6 Ų23.60%012%0.12CC..EExtended strand (participates in β ladder)trans-100.9125176.8-57.4-88.1000109.5L18 C149 L150 M151 G152 D284 F319 L321 F479 V480 Q483 L484L18-F286 HydrophobicContact CD1-CD2 4.41Å; C149-F286 HydrophobicContact CB-CE2 4.32Å; L150-F286 PolarHBondContact O-N 3.25Å; M151-F286 CarbonylContact C-O 3.53Å; M151-F286 VanDerWaalsContact CA-O 3.32Å; M151-F286 WeakPolarHBondContact CA-O 3.39Å; M151-F286 HydrophobicContact CB-CB 4.39Å; M151-F286 HydrophobicContact CE-CB 4.13Å; M151-F286 HydrophobicContact CE-CD2 4.41Å; M151-F286 HydrophobicContact CE-CG 4.29Å; M151-F286 HydrophobicContact CG-CB 4.24Å; G152-F286 PolarHBondContact N-O 2.72Å; D284-F286 HydrophobicContact CB-CE2 3.81Å; D284-F286 HydrophobicContact CB-CZ 4.06Å; F286-F319 CarbonylContact C-O 3.54Å; F286-F319 WeakPolarHBondContact CA-O 3.45Å; F286-F319 HydrophobicContact CD1-CB 3.78Å; F286-F319 AromaticContact CD1-CD2 3.75Å; F286-F319 HydrophobicContact CD1-CD2 3.75Å; F286-F319 HydrophobicContact CD1-CG 4.02Å; F286-F319 HydrophobicContact CE1-CB 4.21Å; F286-F319 AromaticContact CE1-CD2 3.42Å; F286-F319 HydrophobicContact CE1-CD2 3.42Å; F286-F319 VanDerWaalsContact CE1-CD2 3.42Å; F286-F319 AromaticContact CE1-CE2 3.91Å; F286-F319 HydrophobicContact CE1-CE2 3.91Å; F286-F319 AromaticContact CE1-CG 3.92Å; F286-F319 HydrophobicContact CE1-CG 3.92Å; F286-F319 HydrophobicContact CG-CD2 4.5Å; F286-F319 AromaticContact CZ-CD2 3.94Å; F286-F319 HydrophobicContact CZ-CD2 3.94Å; F286-F319 HydrophobicContact CZ-CE2 4.11Å; F286-L321 HydrophobicContact CD1-CD1 4.24Å; F286-F479 HydrophobicContact CE1-CD1 4.43Å; F286-F479 HydrophobicContact CE1-CE1 4.21Å; F286-V480 HydrophobicContact CD1-CG2 3.98Å; F286-V480 HydrophobicContact CE1-CG2 4.08Å; F286-V480 HydrophobicContact CE2-CG1 4.32Å; F286-V480 HydrophobicContact CG-CG2 4.36Å; F286-V480 HydrophobicContact CZ-CG1 4.24Å; F286-Q483 HydrophobicContact CE1-CB 4.25Å; F286-Q483 HydrophobicContact CE1-CG 4.17Å; F286-Q483 HydrophobicContact CZ-CB 4.03Å; F286-Q483 HydrophobicContact CZ-CG 4.44Å; F286-L484 HydrophobicContact CE2-CD2 4.02Å; F286-L484 HydrophobicContact CZ-CD2 4.21Å
287L97.3Very high92.2Very high0 Ų023.9 Ų23.90%012%0.12CC..EExtended strand (participates in β ladder)trans-110.4124.6176-53.9175.7000108.2G152 C290 L292 I318 F319 L321 L332G152-L287 WeakPolarHBondContact O-CA 3.28Å; L287-C290 HydrophobicContact CB-CB 4.01Å; L287-L292 HydrophobicContact CD1-CD2 3.62Å; L287-I318 HydrophobicContact CD1-CG2 3.93Å; L287-I318 HydrophobicContact CG-CG2 4.39Å; L287-F319 PolarHBondContact N-O 2.99Å; L287-L321 PolarHBondContact O-N 3.31Å; L287-L332 HydrophobicContact CD1-CD1 4.18Å
288L96.2Very high92.1Very high2 Ų220.9 Ų20.91%0.0111%0.111CC..EExtended strand (participates in β ladder)trans-112.6115.1-177.5-51.7-178.8000109.8M151 G152 D153 C154 C290 L321 Y470 W471 V476M151-L288 HydrophobicContact CG-CD1 3.96Å; M151-L288 HydrophobicContact CG-CG 4.32Å; M151-L288 HydrophobicContact SD-CD1 3.82Å; G152-L288 PolarHBondContact O-N 3.28Å; D153-L288 CarbonylContact C-O 3.55Å; C154-L288 PolarHBondContact N-O 3.05Å; C154-L288 VanDerWaalsContact N-O 3.1Å; L288-C290 VanDerWaalsContact C-N 3.3Å; L288-C290 PolarHBondContact O-N 3.45Å; L288-L321 HydrophobicContact CD2-CB 3.93Å; L288-L321 HydrophobicContact CD2-CD1 4.25Å; L288-L321 HydrophobicContact CD2-CD2 4.38Å; L288-L321 HydrophobicContact CD2-CG 4.41Å; L288-Y470 HydrophobicContact CB-CD1 4.06Å; L288-Y470 HydrophobicContact CB-CD2 4.47Å; L288-Y470 HydrophobicContact CB-CG 4.02Å; L288-W471 HydrophobicContact CD1-CE3 4.4Å; L288-W471 HydrophobicContact CD1-CZ3 4.08Å; L288-V476 HydrophobicContact CD1-CG1 4.48Å; L288-V476 HydrophobicContact CD2-CG1 4.05Å
289G92.7Very high91.8Very high0 Ų020.9 Ų20.90%011%0.11CC..SBendtrans62.631.217700000114.7C154 L321 S328 Y470C154-G289 PolarHBondContact SG-O 2.92Å; G289-L321 PolarHBondContact N-O 3.48Å; G289-S328 PolarHBondContact O-OG 2.67Å; G289-Y470 VanDerWaalsContact CA-CZ 3.41Å; G289-Y470 VanDerWaalsContact CA-OH 3.23Å; G289-Y470 WeakPolarHBondContact CA-OH 3.33Å
290C93.8Very high91.4Very high0 Ų021.6 Ų21.60%011%0.106CC..  trans-87.3134.9-166-166.70000113.6C154 V158 L287 L288 L292 S328 S330C154-C290 PolarHBondContact O-SG 3.17Å; C154-C290 VanDerWaalsContact O-SG 3.37Å; V158-C290 VanDerWaalsContact CG2-SG 3.58Å; L287-C290 HydrophobicContact CB-CB 4.01Å; L288-C290 VanDerWaalsContact C-N 3.3Å; L288-C290 PolarHBondContact O-N 3.45Å; C290-L292 PolarHBondContact O-N 3.15Å; C290-L292 VanDerWaalsContact O-N 3.17Å; C290-S328 CarbonylContact C-O 3.58Å; C290-S330 PolarHBondContact O-N 3.02Å
291P94.4Very high90.9Very high3 Ų325.9 Ų25.92%0.01913%0.134CC..THydrogen-bonded Turntrans-76.810.2174.830.5-33.3000113.4P107 C154 V158 G293 L294 V295 S328P107-P291 HydrophobicContact CB-CB 4.03Å; P107-P291 HydrophobicContact CB-CG 3.76Å; P107-P291 HydrophobicContact CG-CB 3.78Å; P107-P291 HydrophobicContact CG-CG 3.63Å; C154-P291 WeakPolarHBondContact O-CD 3.39Å; V158-P291 HydrophobicContact CG2-CG 3.84Å; P291-G293 PolarHBondContact O-N 2.91Å; P291-G293 VanDerWaalsContact O-N 3.11Å; P291-L294 WeakPolarHBondContact O-CB 3.22Å; P291-L294 PolarHBondContact O-N 3.27Å; P291-V295 PolarHBondContact O-N 2.98Å; P291-V295 VanDerWaalsContact O-N 3.09Å; P291-S328 WeakPolarHBondContact CA-O 3.39Å; P291-S328 WeakPolarHBondContact CB-O 3.36Å; P291-S328 VanDerWaalsContact N-O 3.14Å
292L93.5Very high90.1Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-53.3-37-173.4177.964.4000113.1F161 L287 C290 L294 V295 L296 L332F161-L292 HydrophobicContact CB-CD1 4.02Å; F161-L292 HydrophobicContact CB-CD2 3.78Å; F161-L292 HydrophobicContact CD1-CD1 3.57Å; F161-L292 HydrophobicContact CD1-CD2 4.14Å; F161-L292 HydrophobicContact CD1-CG 4.47Å; F161-L292 HydrophobicContact CD2-CD1 4.5Å; F161-L292 HydrophobicContact CD2-CD2 3.53Å; F161-L292 HydrophobicContact CE1-CD1 4.17Å; F161-L292 HydrophobicContact CE2-CD2 4.14Å; F161-L292 HydrophobicContact CG-CD1 3.76Å; F161-L292 HydrophobicContact CG-CD2 3.52Å; F161-L292 HydrophobicContact CG-CG 4.29Å; L287-L292 HydrophobicContact CD1-CD2 3.62Å; C290-L292 PolarHBondContact O-N 3.15Å; C290-L292 VanDerWaalsContact O-N 3.17Å; L292-L294 VanDerWaalsContact C-N 3.35Å; L292-L294 PolarHBondContact O-N 2.95Å; L292-V295 WeakPolarHBondContact O-CB 3.42Å; L292-V295 PolarHBondContact O-N 3.18Å; L292-L296 HydrophobicContact CD1-CD1 3.95Å; L292-L296 HydrophobicContact CD1-CD2 4.44Å; L292-L296 HydrophobicContact CD1-CG 3.9Å; L292-L296 HydrophobicContact CD2-CD1 4.34Å; L292-L296 HydrophobicContact CG-CD1 3.76Å; L292-L296 HydrophobicContact CG-CG 4.18Å; L292-L296 WeakPolarHBondContact O-CB 3.35Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.47Å; L292-L296 PolarHBondContact O-N 3.26Å; L292-L332 HydrophobicContact CB-CD2 4.11Å; L292-L332 HydrophobicContact CD2-CD1 4.17Å; L292-L332 HydrophobicContact CD2-CD2 3.95Å; L292-L332 HydrophobicContact CG-CD2 3.85Å
293G92Very high88.8Confident4 Ų423 Ų234%0.04113%0.125CC..Hα-helixtrans-60.3-41.9175.500000113.1P291 L296 A297 L335P291-G293 PolarHBondContact O-N 2.91Å; P291-G293 VanDerWaalsContact O-N 3.11Å; G293-L296 PolarHBondContact O-N 2.99Å; G293-A297 WeakPolarHBondContact O-CB 3.31Å; G293-A297 PolarHBondContact O-N 3.17Å; G293-L335 WeakPolarHBondContact O-CD1 3.36Å
294L91.1Very high87.3Confident55 Ų5527.7 Ų27.729%0.28816%0.155SC..Hα-helixtrans-68-41.5176.3-174.867.6000111.5A104 L108 P291 L292 A297 M298A104-L294 HydrophobicContact CB-CD2 3.71Å; A104-L294 WeakPolarHBondContact O-CD2 3.35Å; L108-L294 HydrophobicContact CD1-CD2 4.17Å; L108-L294 HydrophobicContact CD1-CG 4.16Å; L108-L294 HydrophobicContact CD2-CD2 4.5Å; L108-L294 HydrophobicContact CD2-CG 4.15Å; L108-L294 HydrophobicContact CG-CD2 4.27Å; L108-L294 HydrophobicContact CG-CG 4.37Å; P291-L294 WeakPolarHBondContact O-CB 3.22Å; P291-L294 PolarHBondContact O-N 3.27Å; L292-L294 VanDerWaalsContact C-N 3.35Å; L292-L294 PolarHBondContact O-N 2.95Å; L294-A297 PolarHBondContact O-N 3.31Å; L294-M298 PolarHBondContact O-N 3.35Å
295V90.6Very high85.5Confident0 Ų030 Ų300%018%0.178CC..Hα-helixtrans-57.4-48.3174.5162.80000111.5P107 L108 I111 V158 P291 L292 M298 R299P107-V295 HydrophobicContact CB-CG2 4.31Å; L108-V295 HydrophobicContact CD2-CG2 4.17Å; I111-V295 HydrophobicContact CD1-CB 4.13Å; I111-V295 HydrophobicContact CD1-CG1 3.58Å; I111-V295 HydrophobicContact CD1-CG2 4.01Å; I111-V295 HydrophobicContact CG2-CG1 4.4Å; I111-V295 HydrophobicContact CG2-CG2 4.39Å; V158-V295 HydrophobicContact CG1-CG1 4.22Å; V158-V295 HydrophobicContact CG1-CG2 4.16Å; P291-V295 PolarHBondContact O-N 2.98Å; P291-V295 VanDerWaalsContact O-N 3.09Å; L292-V295 WeakPolarHBondContact O-CB 3.42Å; L292-V295 PolarHBondContact O-N 3.18Å; V295-M298 PolarHBondContact O-N 3.17Å; V295-R299 WeakPolarHBondContact O-CG 3.47Å; V295-R299 PolarHBondContact O-N 3.46Å
296L89.9Confident83.9Confident1 Ų130.6 Ų30.61%0.00518%0.181CC..Hα-helixtrans-69.4-35.7179.2-69.2170000112.4F161 L292 G293 R299 R300 V308 L311 L332 L335 W439F161-L296 HydrophobicContact CE1-CD2 3.94Å; F161-L296 HydrophobicContact CZ-CD1 4.44Å; F161-L296 HydrophobicContact CZ-CD2 4.37Å; L292-L296 HydrophobicContact CD1-CD1 3.95Å; L292-L296 HydrophobicContact CD1-CD2 4.44Å; L292-L296 HydrophobicContact CD1-CG 3.9Å; L292-L296 HydrophobicContact CD2-CD1 4.34Å; L292-L296 HydrophobicContact CG-CD1 3.76Å; L292-L296 HydrophobicContact CG-CG 4.18Å; L292-L296 WeakPolarHBondContact O-CB 3.35Å; L292-L296 VanDerWaalsContact O-CG 3.26Å; L292-L296 WeakPolarHBondContact O-CG 3.47Å; L292-L296 PolarHBondContact O-N 3.26Å; G293-L296 PolarHBondContact O-N 2.99Å; L296-R299 PolarHBondContact O-N 3.37Å; L296-R300 WeakPolarHBondContact O-CB 3.49Å; L296-R300 PolarHBondContact O-N 2.7Å; L296-V308 HydrophobicContact CB-CG1 4.39Å; L296-V308 HydrophobicContact CB-CG2 4.41Å; L296-V308 HydrophobicContact CD1-CG1 4.1Å; L296-V308 HydrophobicContact CD2-CG1 4.34Å; L296-L311 HydrophobicContact CD2-CD1 4.02Å; L296-L332 HydrophobicContact CD1-CD2 4.04Å; L296-L335 HydrophobicContact CB-CD1 4Å; L296-W439 HydrophobicContact CD1-CH2 3.68Å; L296-W439 HydrophobicContact CD1-CZ3 4.2Å
297A88.8Confident82.3Confident31 Ų3135.9 Ų35.926%0.25621%0.205SC..Hα-helixtrans-62.1-45.8172.600000111.3G293 L294 R300 T301 L335G293-A297 WeakPolarHBondContact O-CB 3.31Å; G293-A297 PolarHBondContact O-N 3.17Å; L294-A297 PolarHBondContact O-N 3.31Å; A297-R300 PolarHBondContact O-N 3.44Å; A297-T301 PolarHBondContact O-N 2.82Å; A297-T301 PolarHBondContact O-OG1 3.32Å; A297-L335 HydrophobicContact CB-CD2 4.08Å
298M87.1Confident80.9Confident37 Ų3735.9 Ų35.918%0.18221%0.205CC..Hα-helixtrans-62.1-44175.1-169.2-152.776.200111.8L108 I111 V112 L294 V295 R300 T301 V302L108-M298 HydrophobicContact CB-SD 3.89Å; L108-M298 HydrophobicContact CD1-CB 4.44Å; L108-M298 HydrophobicContact CD1-CG 4.43Å; L108-M298 HydrophobicContact CD1-SD 4.26Å; L108-M298 HydrophobicContact CD2-CB 3.79Å; L108-M298 HydrophobicContact CD2-CG 4.25Å; L108-M298 HydrophobicContact CD2-SD 3.79Å; L108-M298 HydrophobicContact CG-SD 4.19Å; I111-M298 HydrophobicContact CD1-CE 3.65Å; I111-M298 HydrophobicContact CD1-SD 4.45Å; I111-M298 HydrophobicContact CG1-CE 4.27Å; V112-M298 HydrophobicContact CG2-CE 4.07Å; L294-M298 PolarHBondContact O-N 3.35Å; V295-M298 PolarHBondContact O-N 3.17Å; M298-R300 VanDerWaalsContact C-N 3.31Å; M298-R300 PolarHBondContact O-N 3.45Å; M298-T301 PolarHBondContact O-N 2.88Å; M298-T301 PolarHBondContact O-OG1 2.83Å; M298-T301 VanDerWaalsContact O-OG1 3.09Å; M298-V302 HydrophobicContact CG-CG2 4.08Å; M298-V302 WeakPolarHBondContact O-CB 3.09Å; M298-V302 WeakPolarHBondContact O-CG2 3.48Å; M298-V302 PolarHBondContact O-N 3.28Å
299R83.5Confident79.2Confident13 Ų1336.9 Ų36.95%0.04922%0.216CC..Hα-helixtrans-58.1-43.8175.3-75.6176.8-177.9165.21.8111.4D162 V295 L296 L303 I306D162-R299 IonicContact OD1-CZ 3.95Å; D162-R299 IonicContact OD1-NH1 2.8Å; D162-R299 PolarHBondContact OD1-NH1 3.44Å; D162-R299 IonicContact OD1-NH2 2.81Å; D162-R299 PolarHBondContact OD1-NH2 2.68Å; D162-R299 IonicContact OD2-CZ 3.48Å; D162-R299 IonicContact OD2-NH1 3.92Å; D162-R299 PolarHBondContact OD2-NH1 2.83Å; D162-R299 IonicContact OD2-NH2 2.71Å; D162-R299 PolarHBondContact OD2-NH2 2.8Å; V295-R299 WeakPolarHBondContact O-CG 3.47Å; V295-R299 PolarHBondContact O-N 3.46Å; L296-R299 PolarHBondContact O-N 3.37Å; R299-L303 CarbonylContact O-C 3.5Å; R299-L303 WeakPolarHBondContact O-CA 3.14Å; R299-L303 VanDerWaalsContact O-CB 3.32Å; R299-L303 WeakPolarHBondContact O-CB 3.47Å; R299-L303 PolarHBondContact O-N 3Å; R299-I306 HydrophobicContact CB-CD1 4.13Å
300R81.2Confident78Confident105 Ų10542.6 Ų42.640%0.39624%0.242SC..Hα-helixtrans-66-35.7177.8-176.6177.3177.3160.50113.6L296 A297 M298 V308 L335L296-R300 WeakPolarHBondContact O-CB 3.49Å; L296-R300 PolarHBondContact O-N 2.7Å; A297-R300 PolarHBondContact O-N 3.44Å; M298-R300 VanDerWaalsContact C-N 3.31Å; M298-R300 PolarHBondContact O-N 3.45Å; R300-V308 HydrophobicContact CB-CG2 4.2Å; R300-L335 PolarHBondContact NH1-O 3.02Å
301T78Confident77.3Confident108 Ų10843.6 Ų43.666%0.66325%0.248SC*.Hα-helixtrans-80.5-37.1-179.652.90000113.1A297 M298A297-T301 PolarHBondContact O-N 2.82Å; A297-T301 PolarHBondContact O-OG1 3.32Å; M298-T301 PolarHBondContact O-N 2.88Å; M298-T301 PolarHBondContact O-OG1 2.83Å; M298-T301 VanDerWaalsContact O-OG1 3.09Å
302V71.9Confident76.6Confident55 Ų5551.1 Ų51.133%0.33328%0.276SS..Hα-helixtrans-86.2-30.3-177.7-179.60000112.2F248 M298 P304F248-V302 HydrophobicContact CB-CG1 4.17Å; F248-V302 HydrophobicContact CD1-CG1 3.54Å; F248-V302 HydrophobicContact CD2-CG1 3.93Å; F248-V302 HydrophobicContact CE1-CG1 3.82Å; F248-V302 HydrophobicContact CE2-CG1 4.18Å; F248-V302 HydrophobicContact CG-CG1 3.59Å; F248-V302 HydrophobicContact CZ-CG1 4.13Å; M298-V302 HydrophobicContact CG-CG2 4.08Å; M298-V302 WeakPolarHBondContact O-CB 3.09Å; M298-V302 WeakPolarHBondContact O-CG2 3.48Å; M298-V302 PolarHBondContact O-N 3.28Å; V302-P304 WeakPolarHBondContact O-CD 3.39Å
303L65.9Low76.3Confident36 Ų3651.7 Ų51.719%0.18828%0.279CS..SBendtrans-121.780.7177.9-58169.6000108.9F248 S251 W253 R299 A305 I306F248-L303 HydrophobicContact CB-CD2 4.41Å; S251-L303 WeakPolarHBondContact OG-CD1 3.36Å; W253-L303 HydrophobicContact CB-CD1 4.24Å; R299-L303 CarbonylContact O-C 3.5Å; R299-L303 WeakPolarHBondContact O-CA 3.14Å; R299-L303 VanDerWaalsContact O-CB 3.32Å; R299-L303 WeakPolarHBondContact O-CB 3.47Å; R299-L303 PolarHBondContact O-N 3Å; L303-A305 PolarHBondContact O-N 3.4Å; L303-I306 HydrophobicContact CB-CD1 3.62Å; L303-I306 HydrophobicContact CB-CG1 3.93Å; L303-I306 HydrophobicContact CD1-CD1 3.61Å; L303-I306 HydrophobicContact CG-CD1 4.26Å; L303-I306 PolarHBondContact O-N 3.38Å
304P58.2Low76.1Confident110 Ų11052.9 Ų52.971%0.71429%0.289SS*.THydrogen-bonded Turntrans-63.6-7.7-172.123.5-34.2000115.3V302 I306V302-P304 WeakPolarHBondContact O-CD 3.39Å; P304-I306 VanDerWaalsContact C-N 3.32Å
305A57Low76Confident71 Ų7151.3 Ų51.359%0.58728%0.282SS*.THydrogen-bonded Turntrans-76.2-13.6169.300000113.8L303 H307L303-A305 PolarHBondContact O-N 3.4Å; A305-H307 PolarHBondContact O-N 3.26Å
306I60.7Low75.9Confident12 Ų1254.8 Ų54.86%0.06231%0.307CS..  trans-86.594.7-179.5-56.1177.2000110.2W253 R299 L303 P304 V308W253-I306 HydrophobicContact CB-CD1 3.84Å; W253-I306 HydrophobicContact CD2-CD1 4.18Å; W253-I306 HydrophobicContact CE3-CD1 3.72Å; W253-I306 HydrophobicContact CE3-CG1 4.38Å; W253-I306 HydrophobicContact CE3-CG2 4.26Å; W253-I306 HydrophobicContact CG-CD1 4.24Å; W253-I306 HydrophobicContact CZ3-CG2 4.24Å; R299-I306 HydrophobicContact CB-CD1 4.13Å; L303-I306 HydrophobicContact CB-CD1 3.62Å; L303-I306 HydrophobicContact CB-CG1 3.93Å; L303-I306 HydrophobicContact CD1-CD1 3.61Å; L303-I306 HydrophobicContact CG-CD1 4.26Å; L303-I306 PolarHBondContact O-N 3.38Å; P304-I306 VanDerWaalsContact C-N 3.32Å; I306-V308 PolarHBondContact O-N 3.38Å
307H64.3Low76.1Confident110 Ų11055.1 Ų55.151%0.50931%0.308SS..  trans-76.4108.6161.4-78.8-87000109.7A305 G309 Q310A305-H307 PolarHBondContact O-N 3.26Å; H307-G309 PolarHBondContact O-N 2.92Å; H307-G309 VanDerWaalsContact O-N 3.12Å; H307-Q310 HydrophobicContact CB-CB 4.35Å; H307-Q310 HydrophobicContact CB-CG 3.83Å; H307-Q310 WeakPolarHBondContact O-CB 3.12Å; H307-Q310 PolarHBondContact O-N 3.3Å
308V68.2Low76.4Confident1 Ų153.7 Ų53.71%0.00630%0.296CS..G310 helixtrans-54.2-35.3-178.4-176.50000112.5L296 R300 I306 Q310 L311 L335 L336 W439L296-V308 HydrophobicContact CB-CG1 4.39Å; L296-V308 HydrophobicContact CB-CG2 4.41Å; L296-V308 HydrophobicContact CD1-CG1 4.1Å; L296-V308 HydrophobicContact CD2-CG1 4.34Å; R300-V308 HydrophobicContact CB-CG2 4.2Å; I306-V308 PolarHBondContact O-N 3.38Å; V308-Q310 VanDerWaalsContact C-N 3.26Å; V308-Q310 PolarHBondContact O-N 2.98Å; V308-L311 HydrophobicContact CG1-CD1 4.49Å; V308-L311 WeakPolarHBondContact O-CB 3.1Å; V308-L311 PolarHBondContact O-N 3.15Å; V308-L311 VanDerWaalsContact O-N 3.12Å; V308-L335 HydrophobicContact CG1-CB 4.44Å; V308-L336 HydrophobicContact CG1-CD2 4Å; V308-W439 HydrophobicContact CG1-CH2 3.95Å; V308-W439 HydrophobicContact CG1-CZ2 4.02Å
309G60.9Low76.9Confident22 Ų2252 Ų5223%0.22729%0.287CS..G310 helixtrans-73-5.8175.600000116.1H307H307-G309 PolarHBondContact O-N 2.92Å; H307-G309 VanDerWaalsContact O-N 3.12Å
310Q67.9Low77.5Confident120 Ų12051.3 Ų51.356%0.56129%0.285SS*.G310 helixtrans-85.1-14.5167.7-68.5177.3-18.500112H307 V308H307-Q310 HydrophobicContact CB-CB 4.35Å; H307-Q310 HydrophobicContact CB-CG 3.83Å; H307-Q310 WeakPolarHBondContact O-CB 3.12Å; H307-Q310 PolarHBondContact O-N 3.3Å; V308-Q310 VanDerWaalsContact C-N 3.26Å; V308-Q310 PolarHBondContact O-N 2.98Å
311L79.2Confident78.3Confident22 Ų2246.3 Ų46.312%0.11527%0.266CS..  trans-70.8135.8175.9-66.9166.3000110.9F161 W253 L296 V308 W439F161-L311 HydrophobicContact CE1-CD1 4.36Å; F161-L311 HydrophobicContact CZ-CD1 4.28Å; W253-L311 HydrophobicContact CE3-CD2 4.38Å; W253-L311 HydrophobicContact CH2-CD1 3.7Å; W253-L311 HydrophobicContact CH2-CD2 3.58Å; W253-L311 HydrophobicContact CH2-CG 4.26Å; W253-L311 HydrophobicContact CZ3-CD1 3.61Å; W253-L311 HydrophobicContact CZ3-CD2 3.28Å; W253-L311 HydrophobicContact CZ3-CG 3.96Å; L296-L311 HydrophobicContact CD2-CD1 4.02Å; V308-L311 HydrophobicContact CG1-CD1 4.49Å; V308-L311 WeakPolarHBondContact O-CB 3.1Å; V308-L311 PolarHBondContact O-N 3.15Å; V308-L311 VanDerWaalsContact O-N 3.12Å; L311-W439 HydrophobicContact CB-CZ2 4.07Å; L311-W439 PolarHBondContact O-NE1 2.87Å
312R78.4Confident79.1Confident161 Ų16141.9 Ų41.961%0.60824%0.238SC*.  trans-127.985.5177.9-68.6-175.3168.9-166.7-6.6107.9N168 A314 S436N168-R312 VanDerWaalsContact ND2-CB 3.31Å; N168-R312 WeakPolarHBondContact ND2-CB 3.47Å; N168-R312 PolarHBondContact ND2-O 3.4Å; R312-A314 PolarHBondContact O-N 3.45Å; R312-S436 PolarHBondContact NH2-O 2.98Å
313P87.5Confident80.1Confident11 Ų1139.8 Ų39.87%0.07122%0.224CC..  trans-58.1136.4169.325.2-33.1000109F161 L164 C315 I318 W439F161-P313 HydrophobicContact CD2-CB 4.42Å; F161-P313 HydrophobicContact CE2-CB 4.16Å; F161-P313 HydrophobicContact CE2-CG 3.99Å; L164-P313 HydrophobicContact CB-CB 3.77Å; P313-C315 PolarHBondContact O-N 3.31Å; P313-I318 HydrophobicContact CB-CD1 4.09Å; P313-I318 HydrophobicContact CG-CD1 3.54Å; P313-W439 HydrophobicContact CG-CD2 4.21Å; P313-W439 HydrophobicContact CG-CG 4.06Å
314A87.2Confident81.3Confident29 Ų2942.1 Ų42.124%0.2424%0.241CC..SBendtrans-73.659.9-176.700000112.8L164 N168 R312L164-A314 WeakPolarHBondContact CD2-O 3.45Å; L164-A314 VanDerWaalsContact O-CB 3.3Å; L164-A314 WeakPolarHBondContact O-CB 3.4Å; L164-A314 PolarHBondContact O-N 3.29Å; N168-A314 HydrophobicContact CB-CB 4.12Å; R312-A314 PolarHBondContact O-N 3.45Å
315C89.9Confident82.7Confident23 Ų2338.9 Ų38.916%0.15522%0.221CC..EExtended strand (participates in β ladder)trans-145.8154.8175.761.30000111.6L164 V282 P313 I318L164-C315 HydrophobicContact CD1-CB 4.42Å; L164-C315 HydrophobicContact CD2-CB 4.13Å; V282-C315 HydrophobicContact CB-CB 3.99Å; V282-C315 HydrophobicContact CG1-CB 3.75Å; V282-C315 WeakPolarHBondContact O-CA 3.41Å; P313-C315 PolarHBondContact O-N 3.31Å; C315-I318 VanDerWaalsContact SG-CG1 3.6Å
316S89.4Confident84.2Confident73 Ų7336 Ų3651%0.5120%0.196SC..EExtended strand (participates in β ladder)trans-73.2-30.3-179.3-59.10000113.6V282 S283 G440V282-S316 PolarHBondContact O-N 3.22Å; S283-S316 WeakPolarHBondContact O-CA 3.48Å; S283-S316 WeakPolarHBondContact O-CB 3.23Å; S283-S316 PolarHBondContact O-N 2.82Å; S316-G440 VanDerWaalsContact O-CA 3.22Å; S316-G440 WeakPolarHBondContact O-CA 3.21Å
317Q93Very high85.4Confident8 Ų837.6 Ų37.64%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-154.3140.9-179.1-178.965.852.600112.2S283 C285 F319 K442S283-Q317 PolarHBondContact O-N 3.42Å; C285-Q317 PolarHBondContact N-O 3.15Å; Q317-F319 HydrophobicContact CB-CE2 4.11Å; Q317-F319 HydrophobicContact CB-CZ 4.36Å; Q317-F319 HydrophobicContact CG-CD1 4.43Å; Q317-F319 HydrophobicContact CG-CD2 4.01Å; Q317-F319 HydrophobicContact CG-CE1 3.89Å; Q317-F319 HydrophobicContact CG-CE2 3.42Å; Q317-F319 VanDerWaalsContact CG-CE2 3.42Å; Q317-F319 HydrophobicContact CG-CG 4.49Å; Q317-F319 HydrophobicContact CG-CZ 3.35Å; Q317-K442 PolarHBondContact NE2-O 3.49Å
318I95.3Very high86.4Confident0 Ų032.8 Ų32.80%019%0.186CC..EExtended strand (participates in β ladder)trans-107140.2168.2-64.3-174.8000110.8F161 C285 L287 P313 C315 L332 W439 L444F161-I318 HydrophobicContact CD2-CD1 3.96Å; F161-I318 HydrophobicContact CE2-CD1 4.03Å; C285-I318 HydrophobicContact CB-CG1 4.26Å; C285-I318 CarbonylContact O-C 3.47Å; C285-I318 WeakPolarHBondContact O-CA 3.27Å; L287-I318 HydrophobicContact CD1-CG2 3.93Å; L287-I318 HydrophobicContact CG-CG2 4.39Å; P313-I318 HydrophobicContact CB-CD1 4.09Å; P313-I318 HydrophobicContact CG-CD1 3.54Å; C315-I318 VanDerWaalsContact SG-CG1 3.6Å; I318-L332 HydrophobicContact CG2-CD1 4.38Å; I318-W439 HydrophobicContact CB-CB 4.42Å; I318-W439 HydrophobicContact CD1-CB 4.25Å; I318-W439 HydrophobicContact CD1-CD2 4.3Å; I318-W439 HydrophobicContact CD1-CE3 3.94Å; I318-W439 HydrophobicContact CD1-CG 4.46Å; I318-W439 HydrophobicContact CG1-CB 4.35Å; I318-W439 PolarHBondContact N-O 3.29Å; I318-L444 HydrophobicContact CB-CD2 4.35Å; I318-L444 VanDerWaalsContact O-CD2 3.26Å; I318-L444 WeakPolarHBondContact O-CD2 3.46Å
319F97.1Very high87.5Confident1 Ų133.5 Ų33.50%0.00419%0.192CC..EExtended strand (participates in β ladder)trans-126.2114172.1-59.2-82.3000109.7D284 C285 F286 L287 Q317 L321 K442 F446 F479 Q483D284-F319 HydrophobicContact CB-CD2 4.49Å; D284-F319 HydrophobicContact CB-CE2 4.09Å; C285-F319 PolarHBondContact O-N 3.08Å; F286-F319 CarbonylContact C-O 3.54Å; F286-F319 WeakPolarHBondContact CA-O 3.45Å; F286-F319 HydrophobicContact CD1-CB 3.78Å; F286-F319 AromaticContact CD1-CD2 3.75Å; F286-F319 HydrophobicContact CD1-CD2 3.75Å; F286-F319 HydrophobicContact CD1-CG 4.02Å; F286-F319 HydrophobicContact CE1-CB 4.21Å; F286-F319 AromaticContact CE1-CD2 3.42Å; F286-F319 HydrophobicContact CE1-CD2 3.42Å; F286-F319 VanDerWaalsContact CE1-CD2 3.42Å; F286-F319 AromaticContact CE1-CE2 3.91Å; F286-F319 HydrophobicContact CE1-CE2 3.91Å; F286-F319 AromaticContact CE1-CG 3.92Å; F286-F319 HydrophobicContact CE1-CG 3.92Å; F286-F319 HydrophobicContact CG-CD2 4.5Å; F286-F319 AromaticContact CZ-CD2 3.94Å; F286-F319 HydrophobicContact CZ-CD2 3.94Å; F286-F319 HydrophobicContact CZ-CE2 4.11Å; L287-F319 PolarHBondContact N-O 2.99Å; Q317-F319 HydrophobicContact CB-CE2 4.11Å; Q317-F319 HydrophobicContact CB-CZ 4.36Å; Q317-F319 HydrophobicContact CG-CD1 4.43Å; Q317-F319 HydrophobicContact CG-CD2 4.01Å; Q317-F319 HydrophobicContact CG-CE1 3.89Å; Q317-F319 HydrophobicContact CG-CE2 3.42Å; Q317-F319 VanDerWaalsContact CG-CE2 3.42Å; Q317-F319 HydrophobicContact CG-CG 4.49Å; Q317-F319 HydrophobicContact CG-CZ 3.35Å; F319-L321 HydrophobicContact CB-CD1 3.86Å; F319-K442 HydrophobicContact CE1-CB 4.42Å; F319-K442 HydrophobicContact CE1-CD 4.15Å; F319-K442 HydrophobicContact CZ-CD 4.15Å; F319-F446 HydrophobicContact CB-CD2 4.42Å; F319-F446 HydrophobicContact CB-CE2 4.39Å; F319-F446 HydrophobicContact CD1-CD2 4.27Å; F319-F446 AromaticContact CD1-CE2 3.54Å; F319-F446 HydrophobicContact CD1-CE2 3.54Å; F319-F446 AromaticContact CD1-CZ 3.92Å; F319-F446 HydrophobicContact CD1-CZ 3.92Å; F319-F446 HydrophobicContact CE1-CE2 4.36Å; F319-F446 HydrophobicContact CE1-CZ 4.33Å; F319-F446 HydrophobicContact CG-CE2 4.44Å; F319-F479 HydrophobicContact CB-CE1 4.2Å; F319-F479 AromaticContact CD1-CE1 3.76Å; F319-F479 HydrophobicContact CD1-CE1 3.76Å; F319-F479 AromaticContact CD1-CZ 3.68Å; F319-F479 HydrophobicContact CD1-CZ 3.68Å; F319-F479 HydrophobicContact CE1-CE1 4.32Å; F319-F479 HydrophobicContact CE1-CZ 4.08Å; F319-F479 HydrophobicContact CG-CE1 4.05Å; F319-F479 HydrophobicContact CG-CZ 4.42Å; F319-Q483 HydrophobicContact CE1-CG 3.86Å; F319-Q483 HydrophobicContact CE2-CB 4.26Å; F319-Q483 HydrophobicContact CE2-CG 4.02Å; F319-Q483 HydrophobicContact CZ-CB 4.1Å; F319-Q483 HydrophobicContact CZ-CG 3.56Å
320N97.1Very high89.1Confident0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-99.999.6177.1178.737.7000110.1S330 L332 L444 D445 F446N320-S330 PolarHBondContact ND2-O 2.99Å; N320-L332 HydrophobicContact CB-CD1 3.78Å; N320-L332 HydrophobicContact CB-CG 4.31Å; N320-L444 WeakPolarHBondContact CA-O 3.46Å; N320-L444 WeakPolarHBondContact CB-O 3.29Å; N320-L444 PolarHBondContact N-O 3.35Å; N320-D445 PolarHBondContact ND2-OD1 2.91Å; N320-F446 PolarHBondContact O-N 2.98Å
321L97.5Very high90.4Very high0 Ų031.1 Ų31.10%018%0.176CC..EExtended strand (participates in β ladder)trans-96.8128.2179.5-67.583.4000110.3F286 L287 L288 G289 F319 F446 L448 V476 F479F286-L321 HydrophobicContact CD1-CD1 4.24Å; L287-L321 PolarHBondContact O-N 3.31Å; L288-L321 HydrophobicContact CD2-CB 3.93Å; L288-L321 HydrophobicContact CD2-CD1 4.25Å; L288-L321 HydrophobicContact CD2-CD2 4.38Å; L288-L321 HydrophobicContact CD2-CG 4.41Å; G289-L321 PolarHBondContact N-O 3.48Å; F319-L321 HydrophobicContact CB-CD1 3.86Å; L321-F446 WeakPolarHBondContact CA-O 3.43Å; L321-F446 HydrophobicContact CG-CB 4.12Å; L321-L448 HydrophobicContact CD2-CD2 4.49Å; L321-V476 HydrophobicContact CD2-CG1 4.29Å; L321-V476 HydrophobicContact CD2-CG2 4.13Å; L321-F479 HydrophobicContact CD1-CD1 4.22Å; L321-F479 HydrophobicContact CD1-CE1 4.1Å; L321-F479 HydrophobicContact CD2-CB 4.39Å; L321-F479 HydrophobicContact CD2-CD1 3.83Å; L321-F479 HydrophobicContact CD2-CE1 4.42Å; L321-F479 HydrophobicContact CD2-CG 4.19Å; L321-F479 HydrophobicContact CG-CD1 4.41Å
322F95.7Very high91.1Very high15 Ų1530 Ų307%0.06617%0.17CC..EExtended strand (participates in β ladder)trans-148.2151.8179.158-87.6000113.6A329 R331 P345 D445 F446 A447 L448 Y470F322-A329 HydrophobicContact CB-CB 3.44Å; F322-A329 VanDerWaalsContact CB-CB 3.44Å; F322-A329 HydrophobicContact CG-CB 4.2Å; F322-R331 HydrophobicContact CE1-CG 4.15Å; F322-R331 HydrophobicContact CE2-CG 4.37Å; F322-R331 HydrophobicContact CZ-CG 3.64Å; F322-P345 HydrophobicContact CE1-CB 4.47Å; F322-P345 HydrophobicContact CE2-CG 4.45Å; F322-P345 HydrophobicContact CZ-CB 3.79Å; F322-P345 HydrophobicContact CZ-CG 4.01Å; F322-D445 HydrophobicContact CE1-CB 3.89Å; F322-D445 HydrophobicContact CZ-CB 4.31Å; F322-F446 PolarHBondContact N-O 3.45Å; F322-A447 HydrophobicContact CE2-CB 4.44Å; F322-A447 WeakPolarHBondContact O-CA 3.22Å; F322-L448 PolarHBondContact O-N 3.29Å; F322-Y470 WeakPolarHBondContact CA-OH 3.39Å
323Y92.6Very high91.8Very high10 Ų1022.4 Ų22.44%0.03914%0.141CC..  trans-80.2132.4162.3-64.6-80.8000109.6S325 D326 L448 Y449 C450 F466 S469 Y470Y323-S325 PolarHBondContact O-N 2.92Å; Y323-D326 VanDerWaalsContact O-CB 3.3Å; Y323-D326 WeakPolarHBondContact O-CB 3.24Å; Y323-D326 PolarHBondContact O-N 3.22Å; Y323-L448 HydrophobicContact CD1-CB 3.62Å; Y323-L448 HydrophobicContact CD1-CD1 4.36Å; Y323-L448 HydrophobicContact CD2-CD1 4.11Å; Y323-L448 HydrophobicContact CE1-CB 3.57Å; Y323-L448 HydrophobicContact CE1-CD1 3.98Å; Y323-L448 HydrophobicContact CE1-CG 4.41Å; Y323-L448 HydrophobicContact CE2-CD1 3.67Å; Y323-L448 HydrophobicContact CG-CB 4.21Å; Y323-L448 HydrophobicContact CG-CD1 4.42Å; Y323-Y449 WeakPolarHBondContact CE1-O 3.45Å; Y323-C450 HydrophobicContact CD1-CB 4.13Å; Y323-F466 HydrophobicContact CD1-CD1 4.43Å; Y323-F466 HydrophobicContact CD1-CE1 4.32Å; Y323-F466 HydrophobicContact CD2-CB 4.4Å; Y323-F466 AromaticContact CD2-CD1 3.45Å; Y323-F466 HydrophobicContact CD2-CD1 3.45Å; Y323-F466 VanDerWaalsContact CD2-CD1 3.45Å; Y323-F466 HydrophobicContact CD2-CE1 4.1Å; Y323-F466 HydrophobicContact CD2-CG 4.27Å; Y323-F466 HydrophobicContact CE2-CD1 4.18Å; Y323-F466 AromaticContact CG-CD1 3.61Å; Y323-F466 HydrophobicContact CG-CD1 3.61Å; Y323-F466 AromaticContact CG-CE1 3.77Å; Y323-F466 HydrophobicContact CG-CE1 3.77Å; Y323-S469 PolarHBondContact OH-O 3.24Å; Y323-S469 PolarHBondContact OH-OG 3.32Å; Y323-Y470 HydrophobicContact CD2-CD1 4.14Å; Y323-Y470 AromaticContact CD2-CE1 3.49Å; Y323-Y470 HydrophobicContact CD2-CE1 3.49Å; Y323-Y470 VanDerWaalsContact CD2-CE1 3.49Å; Y323-Y470 HydrophobicContact CD2-CE2 4.12Å; Y323-Y470 AromaticContact CD2-CZ 3.46Å; Y323-Y470 VanDerWaalsContact CD2-CZ 3.46Å; Y323-Y470 AromaticContact CE2-CD1 3.68Å; Y323-Y470 HydrophobicContact CE2-CD1 3.68Å; Y323-Y470 AromaticContact CE2-CE1 3.53Å; Y323-Y470 HydrophobicContact CE2-CE1 3.53Å; Y323-Y470 HydrophobicContact CE2-CE2 4.36Å; Y323-Y470 HydrophobicContact CE2-CG 4.16Å; Y323-Y470 AromaticContact CE2-CZ 3.87Å; Y323-Y470 PolarHBondContact N-OH 3.47Å; Y323-Y470 VanDerWaalsContact N-OH 3.1Å
324P90.1Very high92.1Very high85 Ų8523.5 Ų23.555%0.55215%0.148SC*.THydrogen-bonded Turntrans-61.2-12179.5-27.536000116A447 L448P324-A447 HydrophobicContact CG-CB 4.12Å; P324-L448 VanDerWaalsContact CD-O 3.27Å; P324-L448 WeakPolarHBondContact CD-O 3.42Å
325S87.9Confident92.2Very high42 Ų4223.6 Ų23.629%0.29415%0.145SC..THydrogen-bonded Turntrans-106.21.8178.4-54.90000113.4Y323 P327 F466Y323-S325 PolarHBondContact O-N 2.92Å; S325-P327 WeakPolarHBondContact O-CD 3.36Å; S325-F466 VanDerWaalsContact O-CE2 3.31Å; S325-F466 WeakPolarHBondContact O-CE2 3.35Å
326D89.4Confident92.2Very high11 Ų1123.4 Ų23.46%0.05914%0.142CC..  trans-73.7116.7175.2-178.6-13.9000109.7Y323 S328 A329 F466 Y470Y323-D326 VanDerWaalsContact O-CB 3.3Å; Y323-D326 WeakPolarHBondContact O-CB 3.24Å; Y323-D326 PolarHBondContact O-N 3.22Å; D326-S328 PolarHBondContact O-N 3.26Å; D326-S328 WeakPolarHBondContact OD1-CA 3.24Å; D326-S328 WeakPolarHBondContact OD1-CB 3.42Å; D326-S328 PolarHBondContact OD1-N 3.39Å; D326-S328 PolarHBondContact OD1-OG 2.95Å; D326-A329 HydrophobicContact CB-CB 3.98Å; D326-A329 PolarHBondContact O-N 3.43Å; D326-A329 PolarHBondContact OD1-N 3.01Å; D326-F466 HydrophobicContact CB-CB 4.3Å; D326-F466 HydrophobicContact CB-CD2 3.85Å; D326-F466 HydrophobicContact CB-CE2 4.35Å; D326-F466 HydrophobicContact CB-CG 4.01Å; D326-Y470 WeakPolarHBondContact OD2-CE2 3.3Å; D326-Y470 PolarHBondContact OD2-OH 2.92Å
327P85.6Confident92.2Very high45 Ų4522.3 Ų22.329%0.29213%0.129SC..THydrogen-bonded Turntrans-72.8-11.7-178.132.4-37.3000113.4L103 S325 L462 P463L103-P327 HydrophobicContact CD1-CB 3.98Å; L103-P327 HydrophobicContact CD1-CG 3.82Å; S325-P327 WeakPolarHBondContact O-CD 3.36Å; P327-L462 HydrophobicContact CG-CB 3.92Å; P327-L462 HydrophobicContact CG-CD1 4.49Å; P327-P463 HydrophobicContact CG-CG 4.05Å
328S84.9Confident92Very high9 Ų925 Ų256%0.06315%0.147CC..THydrogen-bonded Turntrans-94.8-19.8179.272.10000113.3C154 G289 C290 P291 D326C154-S328 PolarHBondContact SG-OG 3.12Å; C154-S328 VanDerWaalsContact SG-OG 3.37Å; G289-S328 PolarHBondContact O-OG 2.67Å; C290-S328 CarbonylContact C-O 3.58Å; P291-S328 WeakPolarHBondContact CA-O 3.39Å; P291-S328 WeakPolarHBondContact CB-O 3.36Å; P291-S328 VanDerWaalsContact N-O 3.14Å; D326-S328 PolarHBondContact O-N 3.26Å; D326-S328 WeakPolarHBondContact OD1-CA 3.24Å; D326-S328 WeakPolarHBondContact OD1-CB 3.42Å; D326-S328 PolarHBondContact OD1-N 3.39Å; D326-S328 PolarHBondContact OD1-OG 2.95Å
329A91.8Very high91.7Very high17 Ų1726.5 Ų26.514%0.1416%0.155CC..  trans-79.8152.7-17800000113.4F322 D326F322-A329 HydrophobicContact CB-CB 3.44Å; F322-A329 VanDerWaalsContact CB-CB 3.44Å; F322-A329 HydrophobicContact CG-CB 4.2Å; D326-A329 HydrophobicContact CB-CB 3.98Å; D326-A329 PolarHBondContact O-N 3.43Å; D326-A329 PolarHBondContact OD1-N 3.01Å
330S93.3Very high91.4Very high30 Ų3026.5 Ų26.521%0.2116%0.155CC..  trans-147145.7175.8-740000113.3C290 N320C290-S330 PolarHBondContact O-N 3.02Å; N320-S330 PolarHBondContact ND2-O 2.99Å
331R94.9Very high91Very high61 Ų6132.4 Ų32.423%0.2318%0.182CC..  trans-74144.2177.4-77.3-168.468.5-174.92.6112.6F322 E333 P334 F340 L343 D445F322-R331 HydrophobicContact CE1-CG 4.15Å; F322-R331 HydrophobicContact CE2-CG 4.37Å; F322-R331 HydrophobicContact CZ-CG 3.64Å; R331-E333 IonicContact NH2-OE2 3.54Å; R331-E333 PolarHBondContact NH2-OE2 2.98Å; R331-P334 HydrophobicContact CB-CG 4.42Å; R331-F340 PolarHBondContact NH2-O 3.15Å; R331-L343 PolarHBondContact NH1-O 3.05Å; R331-L343 PolarHBondContact NH2-O 3.36Å; R331-D445 WeakPolarHBondContact CA-OD1 3.38Å; R331-D445 VanDerWaalsContact CB-OD2 3.27Å; R331-D445 WeakPolarHBondContact CB-OD2 3.48Å; R331-D445 WeakPolarHBondContact CG-OD2 3.38Å; R331-D445 IonicContact CZ-OD2 3.56Å; R331-D445 IonicContact NE-OD2 3.5Å; R331-D445 PolarHBondContact NE-OD2 3.21Å; R331-D445 IonicContact NH2-OD2 2.72Å
332L94.2Very high90.6Very high0 Ų037.9 Ų37.90%021%0.206CC..  trans-104.3-37.2179-60178.2000113L287 L292 L296 I318 N320 P334 L335 W439 D445L287-L332 HydrophobicContact CD1-CD1 4.18Å; L292-L332 HydrophobicContact CB-CD2 4.11Å; L292-L332 HydrophobicContact CD2-CD1 4.17Å; L292-L332 HydrophobicContact CD2-CD2 3.95Å; L292-L332 HydrophobicContact CG-CD2 3.85Å; L296-L332 HydrophobicContact CD1-CD2 4.04Å; I318-L332 HydrophobicContact CG2-CD1 4.38Å; N320-L332 HydrophobicContact CB-CD1 3.78Å; N320-L332 HydrophobicContact CB-CG 4.31Å; L332-P334 VanDerWaalsContact C-CD 3.47Å; L332-L335 WeakPolarHBondContact O-CB 3.34Å; L332-L335 PolarHBondContact O-N 3.39Å; L332-W439 HydrophobicContact CD1-CZ3 4.27Å; L332-D445 PolarHBondContact N-OD1 2.97Å; L332-D445 PolarHBondContact N-OD2 2.98Å
333E94.4Very high90.4Very high0 Ų037.7 Ų37.70%021%0.205CC..Hα-helixtrans-57.1-41.5-171.4-61.9176.8155.900114.4R331 L335 L336 Q337 F340 W438 R443 L444 D445R331-E333 IonicContact NH2-OE2 3.54Å; R331-E333 PolarHBondContact NH2-OE2 2.98Å; E333-L335 PolarHBondContact O-N 3.22Å; E333-L336 PolarHBondContact O-N 3.22Å; E333-Q337 PolarHBondContact O-N 2.98Å; E333-Q337 VanDerWaalsContact O-N 3.1Å; E333-F340 HydrophobicContact CB-CB 3.78Å; E333-F340 HydrophobicContact CB-CD1 4.11Å; E333-F340 HydrophobicContact CB-CG 4.11Å; E333-W438 HydrophobicContact CB-CH2 3.88Å; E333-W438 HydrophobicContact CG-CH2 3.74Å; E333-W438 HydrophobicContact CG-CZ2 3.9Å; E333-R443 IonicContact OE1-CZ 2.81Å; E333-R443 IonicContact OE1-NE 2.95Å; E333-R443 PolarHBondContact OE1-NE 3.08Å; E333-R443 IonicContact OE1-NH2 3.06Å; E333-R443 PolarHBondContact OE1-NH2 3.23Å; E333-R443 IonicContact OE2-CZ 2.78Å; E333-R443 IonicContact OE2-NE 3.52Å; E333-R443 PolarHBondContact OE2-NE 3.17Å; E333-R443 IonicContact OE2-NH2 2.71Å; E333-R443 PolarHBondContact OE2-NH2 3.47Å; E333-L444 HydrophobicContact CG-CB 3.92Å; E333-L444 HydrophobicContact CG-CG 4.5Å; E333-L444 PolarHBondContact OE1-N 3.49Å; E333-D445 WeakPolarHBondContact CB-OD2 3.21Å; E333-D445 HydrophobicContact CG-CB 3.97Å; E333-D445 WeakPolarHBondContact CG-OD2 3.34Å; E333-D445 PolarHBondContact N-OD2 3.39Å; E333-D445 VanDerWaalsContact N-OD2 3.15Å; E333-D445 PolarHBondContact OE1-N 3.19Å; E333-D445 VanDerWaalsContact OE1-N 3.07Å
334P92.6Very high90.3Very high34 Ų3441.8 Ų41.822%0.22123%0.233CC..Hα-helixtrans-66.2-18.1178.7-21.335.3000114.3R331 L332 P338 H341R331-P334 HydrophobicContact CB-CG 4.42Å; L332-P334 VanDerWaalsContact C-CD 3.47Å; P334-P338 WeakPolarHBondContact O-CA 3.38Å; P334-H341 HydrophobicContact CB-CB 4.16Å; P334-H341 HydrophobicContact CG-CB 4.49Å
335L89.8Confident90.4Very high32 Ų3239.2 Ų39.217%0.16822%0.217CC..Hα-helixtrans-83.2-31.6-179.8-58.5172000112G293 L296 A297 R300 V308 L332 E333G293-L335 WeakPolarHBondContact O-CD1 3.36Å; L296-L335 HydrophobicContact CB-CD1 4Å; A297-L335 HydrophobicContact CB-CD2 4.08Å; R300-L335 PolarHBondContact NH1-O 3.02Å; V308-L335 HydrophobicContact CG1-CB 4.44Å; L332-L335 WeakPolarHBondContact O-CB 3.34Å; L332-L335 PolarHBondContact O-N 3.39Å; E333-L335 PolarHBondContact O-N 3.22Å
336L89.4Confident90.7Very high18 Ų1838 Ų389%0.09421%0.206CC..Hα-helixtrans-77.9-50.6174.6-64.3178.2000111.5V308 E333 W438 W439 L444V308-L336 HydrophobicContact CG1-CD2 4Å; E333-L336 PolarHBondContact O-N 3.22Å; L336-W438 HydrophobicContact CB-CE3 4.39Å; L336-W438 HydrophobicContact CB-CZ3 4.27Å; L336-W438 HydrophobicContact CD1-CE3 4.24Å; L336-W438 HydrophobicContact CD1-CZ3 4.47Å; L336-W439 HydrophobicContact CD1-CD2 3.94Å; L336-W439 HydrophobicContact CD1-CE3 4.08Å; L336-W439 HydrophobicContact CD1-CG 4.27Å; L336-W439 HydrophobicContact CD2-CD2 4.27Å; L336-W439 HydrophobicContact CD2-CH2 4.12Å; L336-W439 HydrophobicContact CD2-CZ2 3.67Å; L336-L444 HydrophobicContact CD1-CD1 3.38Å
337Q90.2Very high90.9Very high51 Ų5139.9 Ų39.924%0.23822%0.223CC..SBendtrans-135.2104179.5175.256.9-66.200109.4E333 L339 F340 I434 W438E333-Q337 PolarHBondContact O-N 2.98Å; E333-Q337 VanDerWaalsContact O-N 3.1Å; Q337-L339 PolarHBondContact O-N 3.39Å; Q337-F340 HydrophobicContact CB-CD2 3.74Å; Q337-F340 HydrophobicContact CB-CE2 4.08Å; Q337-F340 HydrophobicContact CG-CD2 3.65Å; Q337-F340 HydrophobicContact CG-CE2 3.8Å; Q337-F340 WeakPolarHBondContact O-CB 3.18Å; Q337-F340 PolarHBondContact O-N 3.3Å; Q337-I434 HydrophobicContact CG-CD1 4.03Å; Q337-I434 HydrophobicContact CG-CG1 4.16Å; Q337-W438 HydrophobicContact CB-CZ3 4.3Å
338P88.4Confident91.2Very high64 Ų6438.2 Ų38.242%0.41621%0.212SC..G310 helixtrans-48-37.7-172.9-34.437.4000115.2P334 F340 H341P334-P338 WeakPolarHBondContact O-CA 3.38Å; P338-F340 PolarHBondContact O-N 3.48Å; P338-H341 WeakPolarHBondContact O-CB 3.22Å; P338-H341 PolarHBondContact O-CD2 3.14Å; P338-H341 PolarHBondContact O-N 2.83Å
339L88.7Confident91.3Very high32 Ų3238.2 Ų38.217%0.16821%0.212CC..G310 helixtrans-55.7-22.8179.5-66.7173.9000114.3Q337 H341 K342 V374 F375Q337-L339 PolarHBondContact O-N 3.39Å; L339-H341 PolarHBondContact O-N 3.31Å; L339-K342 WeakPolarHBondContact O-CB 3.3Å; L339-K342 PolarHBondContact O-N 3.06Å; L339-V374 HydrophobicContact CB-CG1 4.15Å; L339-F375 HydrophobicContact CB-CD1 4.26Å; L339-F375 HydrophobicContact CB-CE1 3.93Å; L339-F375 HydrophobicContact CD1-CD1 3.7Å; L339-F375 HydrophobicContact CD1-CE1 4.2Å
340F90.1Very high91Very high0 Ų041 Ų410%022%0.219CC..G310 helixtrans-67.8-10.5173.8-77.9-101.1000113.9R331 E333 Q337 P338 K342 L343 I364 I368 F375 W438R331-F340 PolarHBondContact NH2-O 3.15Å; E333-F340 HydrophobicContact CB-CB 3.78Å; E333-F340 HydrophobicContact CB-CD1 4.11Å; E333-F340 HydrophobicContact CB-CG 4.11Å; Q337-F340 HydrophobicContact CB-CD2 3.74Å; Q337-F340 HydrophobicContact CB-CE2 4.08Å; Q337-F340 HydrophobicContact CG-CD2 3.65Å; Q337-F340 HydrophobicContact CG-CE2 3.8Å; Q337-F340 WeakPolarHBondContact O-CB 3.18Å; Q337-F340 PolarHBondContact O-N 3.3Å; P338-F340 PolarHBondContact O-N 3.48Å; F340-K342 PolarHBondContact O-N 2.94Å; F340-L343 HydrophobicContact CD1-CD1 3.91Å; F340-L343 HydrophobicContact CE1-CD1 3.91Å; F340-L343 HydrophobicContact CG-CD1 4.45Å; F340-L343 HydrophobicContact CZ-CD1 4.47Å; F340-L343 PolarHBondContact O-N 3.35Å; F340-L343 VanDerWaalsContact O-N 3.15Å; F340-I364 HydrophobicContact CE1-CD1 3.64Å; F340-I364 HydrophobicContact CZ-CD1 3.44Å; F340-I364 VanDerWaalsContact CZ-CD1 3.44Å; F340-I364 HydrophobicContact CZ-CG1 4.46Å; F340-I368 HydrophobicContact CZ-CG1 4.18Å; F340-F375 HydrophobicContact CD2-CE1 4.2Å; F340-F375 HydrophobicContact CD2-CZ 4.17Å; F340-F375 HydrophobicContact CE1-CZ 4.49Å; F340-F375 AromaticContact CE2-CE1 3.66Å; F340-F375 HydrophobicContact CE2-CE1 3.66Å; F340-F375 AromaticContact CE2-CZ 3.57Å; F340-F375 HydrophobicContact CE2-CZ 3.57Å; F340-F375 HydrophobicContact CZ-CE1 4.25Å; F340-F375 AromaticContact CZ-CZ 3.74Å; F340-F375 HydrophobicContact CZ-CZ 3.74Å; F340-W438 AromaticContact CD1-CH2 3.99Å; F340-W438 HydrophobicContact CD1-CH2 3.99Å; F340-W438 HydrophobicContact CD2-CH2 4.22Å; F340-W438 HydrophobicContact CD2-CZ3 4.18Å; F340-W438 AromaticContact CE1-CH2 3.88Å; F340-W438 HydrophobicContact CE1-CH2 3.88Å; F340-W438 HydrophobicContact CE1-CZ2 4.49Å; F340-W438 HydrophobicContact CE2-CH2 4.11Å; F340-W438 AromaticContact CE2-CZ3 3.99Å; F340-W438 HydrophobicContact CE2-CZ3 3.99Å; F340-W438 HydrophobicContact CG-CH2 4.18Å; F340-W438 AromaticContact CZ-CH2 3.95Å; F340-W438 HydrophobicContact CZ-CH2 3.95Å; F340-W438 HydrophobicContact CZ-CZ3 4.21Å
341H89.9Confident90.5Very high124 Ų12441.3 Ų41.357%0.57422%0.216SC*.G310 helixtrans-62.2-25.8166.488.470.4000112.2P334 P338 L339 L343P334-H341 HydrophobicContact CB-CB 4.16Å; P334-H341 HydrophobicContact CG-CB 4.49Å; P338-H341 WeakPolarHBondContact O-CB 3.22Å; P338-H341 PolarHBondContact O-CD2 3.14Å; P338-H341 PolarHBondContact O-N 2.83Å; L339-H341 PolarHBondContact O-N 3.31Å; H341-L343 VanDerWaalsContact C-N 3.34Å
342K89.6Confident89.6Confident116 Ų11646.2 Ų46.250%0.50424%0.241SC..G310 helixtrans-83.5-11177.5-58.8179.8-179.3173.20112.7L339 F340 V374L339-K342 WeakPolarHBondContact O-CB 3.3Å; L339-K342 PolarHBondContact O-N 3.06Å; F340-K342 PolarHBondContact O-N 2.94Å; K342-V374 HydrophobicContact CB-CG1 4.18Å; K342-V374 HydrophobicContact CD-CG1 4.21Å
343L90.1Very high88.8Confident10 Ų1051.3 Ų51.35%0.05226%0.26CS..SBendtrans-106138-179.9-63.1179000110.5R331 F340 H341 N371 V374 F375R331-L343 PolarHBondContact NH1-O 3.05Å; R331-L343 PolarHBondContact NH2-O 3.36Å; F340-L343 HydrophobicContact CD1-CD1 3.91Å; F340-L343 HydrophobicContact CE1-CD1 3.91Å; F340-L343 HydrophobicContact CG-CD1 4.45Å; F340-L343 HydrophobicContact CZ-CD1 4.47Å; F340-L343 PolarHBondContact O-N 3.35Å; F340-L343 VanDerWaalsContact O-N 3.15Å; H341-L343 VanDerWaalsContact C-N 3.34Å; L343-N371 HydrophobicContact CD2-CB 3.99Å; L343-V374 HydrophobicContact CD2-CG2 4.16Å; L343-F375 HydrophobicContact CD1-CE2 3.97Å; L343-F375 HydrophobicContact CD1-CZ 3.87Å
344P91Very high88Confident96 Ų9655.8 Ų55.862%0.62328%0.278SS*.  trans-67154.1170.429.8-34.3000110.7R443P344-R443 PolarHBondContact O-NH2 3.45Å
345P92.9Very high87.3Confident31 Ų3155.8 Ų55.820%0.20128%0.278CS..  trans-60.1158.4166.330.4-37.1000110.4F322 A347 D445 A447F322-P345 HydrophobicContact CE1-CB 4.47Å; F322-P345 HydrophobicContact CE2-CG 4.45Å; F322-P345 HydrophobicContact CZ-CB 3.79Å; F322-P345 HydrophobicContact CZ-CG 4.01Å; P345-A347 PolarHBondContact O-N 3.35Å; P345-D445 HydrophobicContact CB-CB 3.79Å; P345-A447 HydrophobicContact CB-CB 4.14Å; P345-A447 HydrophobicContact CG-CB 3.72Å
346F93.9Very high86.8Confident17 Ų1759.6 Ų59.68%0.07530%0.298CS..EExtended strand (participates in β ladder)trans-71113178.9-170.4-78.3000110.2V348 R360 S361 L362 D445 F446 A447F346-V348 PolarHBondContact O-N 2.94Å; F346-R360 HydrophobicContact CE2-CB 4.12Å; F346-R360 HydrophobicContact CZ-CB 3.81Å; F346-S361 WeakPolarHBondContact CE2-O 3.44Å; F346-L362 HydrophobicContact CD1-CD2 4.1Å; F346-L362 HydrophobicContact CD2-CD2 4.08Å; F346-L362 HydrophobicContact CE1-CD2 3.57Å; F346-L362 HydrophobicContact CE2-CD2 3.54Å; F346-L362 HydrophobicContact CG-CD2 4.34Å; F346-L362 HydrophobicContact CZ-CD2 3.26Å; F346-D445 PolarHBondContact N-O 2.85Å; F346-F446 HydrophobicContact CB-CD1 3.81Å; F346-F446 HydrophobicContact CB-CE1 3.87Å; F346-F446 AromaticContact CD1-CD1 3.74Å; F346-F446 HydrophobicContact CD1-CD1 3.74Å; F346-F446 AromaticContact CD1-CE1 3.77Å; F346-F446 HydrophobicContact CD1-CE1 3.77Å; F346-F446 HydrophobicContact CG-CD1 4.07Å; F346-F446 AromaticContact CG-CE1 3.88Å; F346-F446 HydrophobicContact CG-CE1 3.88Å; F346-F446 CarbonylContact O-C 3.5Å; F346-F446 VanDerWaalsContact O-CA 3.3Å; F346-F446 WeakPolarHBondContact O-CA 3.34Å; F346-A447 PolarHBondContact O-N 3.11Å
347A93.1Very high86.3Confident51 Ų5159.7 Ų59.742%0.42130%0.304SS..EExtended strand (participates in β ladder)trans-66.1119.5176.400000111.1P345 R360P345-A347 PolarHBondContact O-N 3.35Å; A347-R360 PolarHBondContact O-NH2 3.04Å
348V92.4Very high85.6Confident9 Ų959.7 Ų59.76%0.05531%0.305CS..PPolyproline II helixtrans-66.6131178.8178.40000109.8F346 R350 F446 A447 L448 F479F346-V348 PolarHBondContact O-N 2.94Å; V348-R350 PolarHBondContact O-N 3.4Å; V348-F446 HydrophobicContact CG2-CB 3.8Å; V348-F446 HydrophobicContact CG2-CD1 4.35Å; V348-A447 PolarHBondContact N-O 3.46Å; V348-L448 HydrophobicContact CB-CD2 4.04Å; V348-L448 HydrophobicContact CG1-CD2 4.08Å; V348-L448 HydrophobicContact CG2-CD2 3.98Å; V348-F479 HydrophobicContact CG1-CB 4.26Å; V348-F479 HydrophobicContact CG1-CD2 4.19Å; V348-F479 HydrophobicContact CG2-CD2 4.39Å
349P86.5Confident85.1Confident10 Ų1060.3 Ų60.37%0.06532%0.323CS..PPolyproline II helixtrans-68124.8177.3-17.631.7000110.6Y351 Y354 D358P349-Y351 PolarHBondContact O-N 3.16Å; P349-Y354 HydrophobicContact CB-CD2 4.16Å; P349-Y354 HydrophobicContact CB-CG 4.34Å; P349-D358 HydrophobicContact CB-CB 4.12Å; P349-D358 HydrophobicContact CG-CB 4.16Å
350R86.3Confident84.6Confident74 Ų7464.2 Ų64.228%0.27934%0.336SS..PPolyproline II helixtrans-62.6125.9178.7-56.6-141.3-46.2-143.29.5111.1V348 Q352 R353 Y354 Y449 D475V348-R350 PolarHBondContact O-N 3.4Å; R350-Q352 VanDerWaalsContact C-N 3.27Å; R350-Q352 PolarHBondContact O-N 2.96Å; R350-R353 PolarHBondContact O-N 3.19Å; R350-Y354 PolarHBondContact O-N 2.9Å; R350-Y449 VanDerWaalsContact NH1-CZ 3.33Å; R350-D475 WeakPolarHBondContact CA-OD1 3.34Å
351Y81.4Confident84.2Confident38 Ų3866.5 Ų66.515%0.14935%0.351CS..THydrogen-bonded Turntrans-50-45.5-179.7170.7-110000112.5V51 H55 P349 R353 Y354 P355 T474 D475 A478V51-Y351 HydrophobicContact CB-CE2 4.4Å; V51-Y351 HydrophobicContact CG1-CD2 4.33Å; V51-Y351 HydrophobicContact CG1-CE2 3.73Å; V51-Y351 HydrophobicContact CG2-CE1 4.35Å; V51-Y351 HydrophobicContact CG2-CE2 4.02Å; H55-Y351 AromaticContact CD2-CE2 3.61Å; H55-Y351 AromaticContact CD2-CZ 3.8Å; H55-Y351 PolarHBondContact CD2-OH 3.45Å; H55-Y351 VanDerWaalsContact CD2-OH 3.3Å; P349-Y351 PolarHBondContact O-N 3.16Å; Y351-R353 PolarHBondContact O-N 3.37Å; Y351-Y354 CarbonylContact O-C 3.46Å; Y351-Y354 PolarHBondContact O-N 2.99Å; Y351-P355 HydrophobicContact CD2-CB 3.86Å; Y351-P355 HydrophobicContact CE2-CB 3.76Å; Y351-P355 WeakPolarHBondContact O-CA 3.17Å; Y351-P355 WeakPolarHBondContact O-CD 3.32Å; Y351-T474 HydrophobicContact CD1-CG2 4.24Å; Y351-T474 WeakPolarHBondContact CD1-OG1 3.44Å; Y351-T474 HydrophobicContact CE1-CG2 4.41Å; Y351-D475 VanDerWaalsContact CB-OD1 3.3Å; Y351-D475 WeakPolarHBondContact CB-OD1 3.48Å; Y351-D475 PolarHBondContact N-OD1 3.24Å; Y351-A478 HydrophobicContact CD2-CB 3.61Å; Y351-A478 HydrophobicContact CE2-CB 4.39Å; Y351-A478 HydrophobicContact CG-CB 4.28Å
352Q77.7Confident84.2Confident163 Ų16361.8 Ų61.876%0.76233%0.331SS*.THydrogen-bonded Turntrans-56.6-25.4178.7-166.6-171.521.700114.3R350R350-Q352 VanDerWaalsContact C-N 3.27Å; R350-Q352 PolarHBondContact O-N 2.96Å
353R75.5Confident84.2Confident107 Ų10759.5 Ų59.540%0.40432%0.324SS..THydrogen-bonded Turntrans-109.2-31.2-178.5-168.6175.8-172.5156.616.1112.8R350 Y351 S807R350-R353 PolarHBondContact O-N 3.19Å; Y351-R353 PolarHBondContact O-N 3.37Å; R353-S807 PolarHBondContact NH1-OG 3.05Å; R353-S807 PolarHBondContact NH2-OG 2.95Å
354Y78.8Confident84.1Confident95 Ų9559.2 Ų59.237%0.37332%0.322SS..  trans-142.168.4-170.9-60.6-63.4000110.1P349 R350 Y351 L356 G357 D358 R482P349-Y354 HydrophobicContact CB-CD2 4.16Å; P349-Y354 HydrophobicContact CB-CG 4.34Å; R350-Y354 PolarHBondContact O-N 2.9Å; Y351-Y354 CarbonylContact O-C 3.46Å; Y351-Y354 PolarHBondContact O-N 2.99Å; Y354-L356 VanDerWaalsContact C-N 3.32Å; Y354-L356 PolarHBondContact O-N 3.49Å; Y354-G357 PolarHBondContact O-N 2.99Å; Y354-D358 HydrophobicContact CD1-CB 3.99Å; Y354-D358 HydrophobicContact CD2-CB 4.11Å; Y354-D358 HydrophobicContact CE1-CB 4.28Å; Y354-D358 HydrophobicContact CE2-CB 4.38Å; Y354-D358 HydrophobicContact CG-CB 3.91Å; Y354-R482 PolarHBondContact O-NH1 3.28Å
355P77.9Confident83.8Confident33 Ų3355.4 Ų55.421%0.21430%0.3CS..THydrogen-bonded Turntrans-60.8-41.7-173.721.9-32.1000112.2Y351 G357 R482Y351-P355 HydrophobicContact CD2-CB 3.86Å; Y351-P355 HydrophobicContact CE2-CB 3.76Å; Y351-P355 WeakPolarHBondContact O-CA 3.17Å; Y351-P355 WeakPolarHBondContact O-CD 3.32Å; P355-G357 VanDerWaalsContact C-N 3.3Å; P355-G357 PolarHBondContact O-N 3.13Å; P355-R482 PolarHBondContact O-NH1 2.94Å
356L79.3Confident83.5Confident112 Ų11258.5 Ų58.559%0.58631%0.312SS*.THydrogen-bonded Turntrans-87.49.2175.6-58179.4000113.6H55 F56 Y354 R482H55-L356 HydrophobicContact CB-CD2 4.15Å; F56-L356 HydrophobicContact CD1-CD2 4.33Å; F56-L356 HydrophobicContact CE1-CD2 3.72Å; F56-L356 HydrophobicContact CE2-CD2 4.24Å; F56-L356 HydrophobicContact CZ-CD2 3.67Å; Y354-L356 VanDerWaalsContact C-N 3.32Å; Y354-L356 PolarHBondContact O-N 3.49Å; L356-R482 VanDerWaalsContact C-CD 3.41Å; L356-R482 WeakPolarHBondContact O-CD 3.45Å
357G77.8Confident83Confident21 Ų2158.2 Ų58.222%0.21631%0.312CS..  trans91.2175.1-173.400000113.3Y354 P355Y354-G357 PolarHBondContact O-N 2.99Å; P355-G357 VanDerWaalsContact C-N 3.3Å; P355-G357 PolarHBondContact O-N 3.13Å
358D75.8Confident82.6Confident50 Ų5055.8 Ų55.827%0.26729%0.292SS..  trans-107.710.1-173.664.91.2000113.9P349 Y354 R360P349-D358 HydrophobicContact CB-CB 4.12Å; P349-D358 HydrophobicContact CG-CB 4.16Å; Y354-D358 HydrophobicContact CD1-CB 3.99Å; Y354-D358 HydrophobicContact CD2-CB 4.11Å; Y354-D358 HydrophobicContact CE1-CB 4.28Å; Y354-D358 HydrophobicContact CE2-CB 4.38Å; Y354-D358 HydrophobicContact CG-CB 3.91Å; D358-R360 PolarHBondContact O-N 2.71Å; D358-R360 WeakPolarHBondContact OD1-CB 3.31Å; D358-R360 PolarHBondContact OD1-N 2.75Å; D358-R360 VanDerWaalsContact OD1-N 3.17Å; D358-R360 IonicContact OD1-NE 3.77Å; D358-R360 IonicContact OD1-NH2 2.72Å; D358-R360 IonicContact OD2-CZ 3.54Å; D358-R360 IonicContact OD2-NE 3.45Å; D358-R360 PolarHBondContact OD2-NE 3.17Å; D358-R360 IonicContact OD2-NH2 3.5Å; D358-R360 PolarHBondContact OD2-NH2 3.03Å
359G77.9Confident82.2Confident77 Ų7760.8 Ų60.879%0.79431%0.314SS*.SBendtrans72.67.517900000115.2
360R79.1Confident81.9Confident114 Ų11464.1 Ų64.143%0.4334%0.338SS..  trans-75.8132171-72.3-173.9-69.31394.6110.4F346 A347 D358F346-R360 HydrophobicContact CE2-CB 4.12Å; F346-R360 HydrophobicContact CZ-CB 3.81Å; A347-R360 PolarHBondContact O-NH2 3.04Å; D358-R360 PolarHBondContact O-N 2.71Å; D358-R360 WeakPolarHBondContact OD1-CB 3.31Å; D358-R360 PolarHBondContact OD1-N 2.75Å; D358-R360 VanDerWaalsContact OD1-N 3.17Å; D358-R360 IonicContact OD1-NE 3.77Å; D358-R360 IonicContact OD1-NH2 2.72Å; D358-R360 IonicContact OD2-CZ 3.54Å; D358-R360 IonicContact OD2-NE 3.45Å; D358-R360 PolarHBondContact OD2-NE 3.17Å; D358-R360 IonicContact OD2-NH2 3.5Å; D358-R360 PolarHBondContact OD2-NH2 3.03Å
361S81.8Confident81.8Confident48 Ų4863.5 Ų63.534%0.33634%0.34SS..  trans-65140.3175.7-178.70000112F346 L363 E366F346-S361 WeakPolarHBondContact CE2-O 3.44Å; S361-L363 PolarHBondContact OG-N 3.37Å; S361-E366 WeakPolarHBondContact CB-OE2 3.38Å; S361-E366 PolarHBondContact OG-OE2 2.93Å
362L88.4Confident81.7Confident26 Ų2664 Ų6414%0.13635%0.348CS..  trans-94.2-7176.2-53.7-170.6000112.4F346 K442 R443 F446 F479F346-L362 HydrophobicContact CD1-CD2 4.1Å; F346-L362 HydrophobicContact CD2-CD2 4.08Å; F346-L362 HydrophobicContact CE1-CD2 3.57Å; F346-L362 HydrophobicContact CE2-CD2 3.54Å; F346-L362 HydrophobicContact CG-CD2 4.34Å; F346-L362 HydrophobicContact CZ-CD2 3.26Å; L362-K442 HydrophobicContact CB-CB 4.09Å; L362-K442 HydrophobicContact CB-CD 4.1Å; L362-K442 HydrophobicContact CB-CG 3.94Å; L362-K442 HydrophobicContact CD1-CD 4.37Å; L362-K442 CarbonylContact O-C 3.58Å; L362-K442 WeakPolarHBondContact O-CA 3.35Å; L362-K442 WeakPolarHBondContact O-CB 3.47Å; L362-R443 PolarHBondContact O-N 2.81Å; L362-F446 HydrophobicContact CD1-CE1 4.43Å; L362-F446 HydrophobicContact CD2-CE1 4.14Å; L362-F479 HydrophobicContact CD1-CE2 4.33Å
363L89.7Confident81.7Confident68 Ų6858.6 Ų58.636%0.35634%0.336SS..BIsolated β-bridgetrans-66.5139.2-171.1-65.1176.7000112.6S361 E366 S367 K442S361-L363 PolarHBondContact OG-N 3.37Å; L363-E366 HydrophobicContact CB-CB 4.38Å; L363-E366 HydrophobicContact CB-CG 4.3Å; L363-S367 PolarHBondContact O-N 3.31Å; L363-S367 VanDerWaalsContact O-N 3.07Å; L363-S367 PolarHBondContact O-OG 3.37Å; L363-K442 HydrophobicContact CD2-CG 4.23Å
364I89.4Confident82.1Confident4 Ų454.9 Ų54.92%0.02133%0.325CS..Hα-helixtrans-65.9-42.1179.4-168.459.7000111.6F340 E366 S367 I368 I434 W438 S441F340-I364 HydrophobicContact CE1-CD1 3.64Å; F340-I364 HydrophobicContact CZ-CD1 3.44Å; F340-I364 VanDerWaalsContact CZ-CD1 3.44Å; F340-I364 HydrophobicContact CZ-CG1 4.46Å; I364-E366 PolarHBondContact O-N 2.82Å; I364-S367 WeakPolarHBondContact O-CB 3.44Å; I364-S367 PolarHBondContact O-N 2.94Å; I364-I368 HydrophobicContact CG1-CD1 4.09Å; I364-I368 WeakPolarHBondContact O-CG1 3.37Å; I364-I368 PolarHBondContact O-N 2.89Å; I364-I434 HydrophobicContact CG1-CG2 4.4Å; I364-W438 HydrophobicContact CD1-CD2 4.08Å; I364-W438 HydrophobicContact CD1-CE3 4.41Å; I364-W438 HydrophobicContact CD1-CH2 3.72Å; I364-W438 HydrophobicContact CD1-CZ2 3.32Å; I364-W438 HydrophobicContact CD1-CZ3 4.25Å; I364-W438 HydrophobicContact CG1-CD2 3.98Å; I364-W438 HydrophobicContact CG1-CE3 4.48Å; I364-W438 HydrophobicContact CG1-CG 4.3Å; I364-W438 HydrophobicContact CG1-CZ2 4.13Å; I364-S441 WeakPolarHBondContact CG2-O 3.47Å; I364-S441 PolarHBondContact N-O 2.96Å
365G85.1Confident82.2Confident15 Ų1551 Ų5116%0.15531%0.31CS..Hα-helixtrans-59.7-45.9178.100000112.6S367 I368 Q369G365-S367 VanDerWaalsContact C-N 3.34Å; G365-S367 PolarHBondContact O-N 3.31Å; G365-I368 PolarHBondContact O-N 3.08Å; G365-Q369 VanDerWaalsContact O-CG 3.29Å; G365-Q369 WeakPolarHBondContact O-CG 3.37Å; G365-Q369 PolarHBondContact O-N 2.88Å
366E84.9Confident82Confident96 Ų9652.3 Ų52.345%0.44932%0.315SS..Hα-helixtrans-69.3-31.3176.9-64.5-171.1-179.400112.6S361 L363 I364 I368 Q369 S370S361-E366 WeakPolarHBondContact CB-OE2 3.38Å; S361-E366 PolarHBondContact OG-OE2 2.93Å; L363-E366 HydrophobicContact CB-CB 4.38Å; L363-E366 HydrophobicContact CB-CG 4.3Å; I364-E366 PolarHBondContact O-N 2.82Å; E366-I368 VanDerWaalsContact C-N 3.33Å; E366-Q369 PolarHBondContact O-N 2.79Å; E366-S370 WeakPolarHBondContact O-CB 3Å; E366-S370 PolarHBondContact O-N 2.87Å; E366-S370 PolarHBondContact O-OG 2.89Å
367S83.6Confident81.1Confident11 Ų1154.6 Ų54.68%0.07732%0.323CS..Hα-helixtrans-64.6-36.9172.2-640000112.3L363 I364 G365 S370 N371 R443L363-S367 PolarHBondContact O-N 3.31Å; L363-S367 VanDerWaalsContact O-N 3.07Å; L363-S367 PolarHBondContact O-OG 3.37Å; I364-S367 WeakPolarHBondContact O-CB 3.44Å; I364-S367 PolarHBondContact O-N 2.94Å; G365-S367 VanDerWaalsContact C-N 3.34Å; G365-S367 PolarHBondContact O-N 3.31Å; S367-S370 WeakPolarHBondContact CA-OG 3.42Å; S367-S370 PolarHBondContact O-OG 2.63Å; S367-S370 VanDerWaalsContact O-OG 3.08Å; S367-N371 PolarHBondContact O-ND2 3.29Å; S367-R443 WeakPolarHBondContact OG-CD 3.46Å; S367-R443 WeakPolarHBondContact OG-CG 3.37Å
368I85.3Confident79.7Confident0 Ų055.4 Ų55.40%033%0.331CS..Hα-helixtrans-71.8-47.6174.4-66.3159.1000110.3F340 I364 G365 E366 S370 N371 F375 L427 I431 I434F340-I368 HydrophobicContact CZ-CG1 4.18Å; I364-I368 HydrophobicContact CG1-CD1 4.09Å; I364-I368 WeakPolarHBondContact O-CG1 3.37Å; I364-I368 PolarHBondContact O-N 2.89Å; G365-I368 PolarHBondContact O-N 3.08Å; E366-I368 VanDerWaalsContact C-N 3.33Å; I368-S370 VanDerWaalsContact C-N 3.27Å; I368-S370 PolarHBondContact O-N 2.89Å; I368-N371 CarbonylContact O-C 3.6Å; I368-N371 PolarHBondContact O-N 3.07Å; I368-F375 HydrophobicContact CB-CD2 4.34Å; I368-F375 HydrophobicContact CB-CE2 4.22Å; I368-F375 HydrophobicContact CG1-CD2 4.47Å; I368-F375 HydrophobicContact CG1-CE1 4.39Å; I368-F375 HydrophobicContact CG1-CE2 4Å; I368-F375 HydrophobicContact CG1-CZ 3.97Å; I368-F375 HydrophobicContact CG2-CB 4.48Å; I368-F375 HydrophobicContact CG2-CD2 3.81Å; I368-F375 HydrophobicContact CG2-CE2 4.18Å; I368-F375 HydrophobicContact CG2-CG 4.04Å; I368-L427 HydrophobicContact CG2-CD1 3.87Å; I368-I431 HydrophobicContact CB-CG1 3.99Å; I368-I431 HydrophobicContact CD1-CG1 4.15Å; I368-I431 HydrophobicContact CG2-CD1 4.29Å; I368-I431 HydrophobicContact CG2-CG1 3.62Å; I368-I434 HydrophobicContact CD1-CB 4.16Å; I368-I434 HydrophobicContact CD1-CD1 3.75Å; I368-I434 HydrophobicContact CD1-CG2 4.07Å; I368-I434 HydrophobicContact CG1-CD1 4.37Å
369Q83.3Confident78.1Confident114 Ų11460.7 Ų60.753%0.53336%0.359SS..Hα-helixtrans-62.2-29.9179-71.1176.41000114G365 E366 N371 P372 L427 I431G365-Q369 VanDerWaalsContact O-CG 3.29Å; G365-Q369 WeakPolarHBondContact O-CG 3.37Å; G365-Q369 PolarHBondContact O-N 2.88Å; E366-Q369 PolarHBondContact O-N 2.79Å; Q369-N371 VanDerWaalsContact C-N 3.32Å; Q369-P372 WeakPolarHBondContact O-CD 3.18Å; Q369-L427 HydrophobicContact CG-CD2 4.48Å; Q369-I431 HydrophobicContact CG-CD1 3.59Å
370S81.6Confident76.4Confident80 Ų8066.8 Ų66.856%0.55936%0.364SS*.THydrogen-bonded Turntrans-78-14.7175.450.30000113.6E366 S367 I368 P372E366-S370 WeakPolarHBondContact O-CB 3Å; E366-S370 PolarHBondContact O-N 2.87Å; E366-S370 PolarHBondContact O-OG 2.89Å; S367-S370 WeakPolarHBondContact CA-OG 3.42Å; S367-S370 PolarHBondContact O-OG 2.63Å; S367-S370 VanDerWaalsContact O-OG 3.08Å; I368-S370 VanDerWaalsContact C-N 3.27Å; I368-S370 PolarHBondContact O-N 2.89Å; S370-P372 VanDerWaalsContact C-CD 3.42Å
371N83.3Confident74.3Confident61 Ų6165.7 Ų65.733%0.32637%0.374SS..  trans-127.246.9-177.3-62.9-80.8000113.4L343 S367 I368 Q369 G373 V374 F375L343-N371 HydrophobicContact CD2-CB 3.99Å; S367-N371 PolarHBondContact O-ND2 3.29Å; I368-N371 CarbonylContact O-C 3.6Å; I368-N371 PolarHBondContact O-N 3.07Å; Q369-N371 VanDerWaalsContact C-N 3.32Å; N371-G373 VanDerWaalsContact C-N 3.26Å; N371-G373 PolarHBondContact O-N 2.6Å; N371-G373 VanDerWaalsContact O-N 3.13Å; N371-V374 HydrophobicContact CB-CG2 4.45Å; N371-V374 WeakPolarHBondContact O-CB 2.85Å; N371-V374 PolarHBondContact O-N 3.08Å; N371-F375 HydrophobicContact CB-CE2 4.39Å; N371-F375 WeakPolarHBondContact O-CD2 3.29Å
372P79.9Confident72.1Confident50 Ų5073 Ų7333%0.32540%0.402SS..Hα-helixtrans-63.2-29.2-167.727.6-35.8000113.4Q369 S370 V374 F375 L376 L427Q369-P372 WeakPolarHBondContact O-CD 3.18Å; S370-P372 VanDerWaalsContact C-CD 3.42Å; P372-V374 PolarHBondContact O-N 2.86Å; P372-F375 PolarHBondContact O-N 3.04Å; P372-F375 VanDerWaalsContact O-N 3.13Å; P372-L376 HydrophobicContact CB-CD1 4Å; P372-L376 WeakPolarHBondContact O-CB 3.49Å; P372-L376 WeakPolarHBondContact O-CG 3.25Å; P372-L376 PolarHBondContact O-N 3.44Å; P372-L427 HydrophobicContact CB-CD1 4.4Å; P372-L427 HydrophobicContact CB-CD2 4.18Å
373G78.3Confident69.3Low49 Ų4975.6 Ų75.651%0.50544%0.435SS..Hα-helixtrans-63.9-23.517600000114.3N371 E377N371-G373 VanDerWaalsContact C-N 3.26Å; N371-G373 PolarHBondContact O-N 2.6Å; N371-G373 VanDerWaalsContact O-N 3.13Å; G373-E377 WeakPolarHBondContact O-CB 3.29Å
374V82.8Confident66.4Low29 Ų2975.9 Ų75.918%0.17646%0.455CS..Hα-helixtrans-75.1-30.8175.3173.10000111.5L339 K342 L343 N371 P372L339-V374 HydrophobicContact CB-CG1 4.15Å; K342-V374 HydrophobicContact CB-CG1 4.18Å; K342-V374 HydrophobicContact CD-CG1 4.21Å; L343-V374 HydrophobicContact CD2-CG2 4.16Å; N371-V374 HydrophobicContact CB-CG2 4.45Å; N371-V374 WeakPolarHBondContact O-CB 2.85Å; N371-V374 PolarHBondContact O-N 3.08Å; P372-V374 PolarHBondContact O-N 2.86Å
375F80.7Confident63.9Low12 Ų1282.4 Ų82.45%0.05350%0.498CS..Hα-helixtrans-104-25.1-169.8-64.4-77.2000114.2L339 F340 L343 I368 N371 P372 T430 I434L339-F375 HydrophobicContact CB-CD1 4.26Å; L339-F375 HydrophobicContact CB-CE1 3.93Å; L339-F375 HydrophobicContact CD1-CD1 3.7Å; L339-F375 HydrophobicContact CD1-CE1 4.2Å; F340-F375 HydrophobicContact CD2-CE1 4.2Å; F340-F375 HydrophobicContact CD2-CZ 4.17Å; F340-F375 HydrophobicContact CE1-CZ 4.49Å; F340-F375 AromaticContact CE2-CE1 3.66Å; F340-F375 HydrophobicContact CE2-CE1 3.66Å; F340-F375 AromaticContact CE2-CZ 3.57Å; F340-F375 HydrophobicContact CE2-CZ 3.57Å; F340-F375 HydrophobicContact CZ-CE1 4.25Å; F340-F375 AromaticContact CZ-CZ 3.74Å; F340-F375 HydrophobicContact CZ-CZ 3.74Å; L343-F375 HydrophobicContact CD1-CE2 3.97Å; L343-F375 HydrophobicContact CD1-CZ 3.87Å; I368-F375 HydrophobicContact CB-CD2 4.34Å; I368-F375 HydrophobicContact CB-CE2 4.22Å; I368-F375 HydrophobicContact CG1-CD2 4.47Å; I368-F375 HydrophobicContact CG1-CE1 4.39Å; I368-F375 HydrophobicContact CG1-CE2 4Å; I368-F375 HydrophobicContact CG1-CZ 3.97Å; I368-F375 HydrophobicContact CG2-CB 4.48Å; I368-F375 HydrophobicContact CG2-CD2 3.81Å; I368-F375 HydrophobicContact CG2-CE2 4.18Å; I368-F375 HydrophobicContact CG2-CG 4.04Å; N371-F375 HydrophobicContact CB-CE2 4.39Å; N371-F375 WeakPolarHBondContact O-CD2 3.29Å; P372-F375 PolarHBondContact O-N 3.04Å; P372-F375 VanDerWaalsContact O-N 3.13Å; F375-T430 HydrophobicContact CB-CG2 4.24Å; F375-T430 HydrophobicContact CD1-CG2 4.4Å; F375-I434 HydrophobicContact CD1-CD1 4.02Å; F375-I434 HydrophobicContact CE1-CD1 3.92Å
376L73.9Confident61.1Low61 Ų6186.5 Ų86.532%0.31953%0.53SS..Hα-helixtrans-88.6-16.9177.9-65.7171.3000113.9P372 S423 Q426 L427P372-L376 HydrophobicContact CB-CD1 4Å; P372-L376 WeakPolarHBondContact O-CB 3.49Å; P372-L376 WeakPolarHBondContact O-CG 3.25Å; P372-L376 PolarHBondContact O-N 3.44Å; L376-S423 WeakPolarHBondContact CD1-OG 3.39Å; L376-Q426 HydrophobicContact CD2-CB 4.19Å; L376-L427 HydrophobicContact CD2-CB 4.41Å
377E60.2Low58.5Low161 Ų16187.2 Ų87.275%0.75255%0.546SS*.SBendtrans-90.9-5.7-176.6-156.1167.5-13000112.8G373G373-E377 WeakPolarHBondContact O-CB 3.29Å
378G49Very low56.4Low38 Ų3892.2 Ų92.239%0.39258%0.578SS.*SBendtrans-82.2-10.9-172.900000116.6
379D42Very low53.6Low160 Ų160100.7 Ų100.786%0.85662%0.617SS**SBendtrans-98.315.1-166.1-140.620.5000114.2
380K41.6Very low50.9Low206 Ų20698.5 Ų98.590%0.89662%0.615SS**SBendtrans-102.612.5-176.5-77.2-166174.2-174.60115.2
381S36.1Very low48.3Very low90 Ų90104.2 Ų104.263%0.62963%0.625SS**  trans-126.850-169.4650000115.6
382H35.7Very low45.6Very low201 Ų201109 Ų10993%0.93165%0.646SS**  trans-147109.5155.8-78-52.6000111.5
383G29.8Very low43.1Very low81 Ų81111.8 Ų111.884%0.83566%0.662SS**SBendtrans157.785.317000000117.2
384G27Very low40.7Very low75 Ų75118.5 Ų118.577%0.77368%0.677SS**  trans75.3145.3151.300000119.1
385P38.7Very low38Very low141 Ų141122.5 Ų122.592%0.91670%0.702SS**  trans-86.8140.7178.434.6-33.1000112.5
386A26.3Very low35.5Very low100 Ų100129.7 Ų129.783%0.82674%0.741SS**  trans-129.4130.5165.100000109.8
387S29.9Very low33.4Very low112 Ų112130.5 Ų130.578%0.78376%0.764SS**  trans-75.2155.4-167-45.60000114
388P39.5Very low31.8Very low116 Ų116127 Ų12775%0.75377%0.771SS**  trans-98.9109.3-175.935.7-30000113.4
389H26.8Very low30.8Very low177 Ų177129 Ų12982%0.81979%0.792SS**  trans-154.8149.7166.5-82.6-71.2000108.9
390S25.7Very low30.1Very low69 Ų69125.7 Ų125.748%0.48380%0.795SS.*  cis165.7112.6-26.8470000104.7
391Y28.2Very low29.5Very low200 Ų200119.9 Ų119.978%0.78479%0.794SS**  trans38150.7154.666.3-109.7000124.2
392E26.5Very low29.1Very low162 Ų162119.8 Ų119.876%0.75781%0.807SS**  trans87.6104.1153.9-66-175.9163.800124.4
393T26.3Very low28.8Very low107 Ų107114 Ų11466%0.65680%0.802SS**  66.6108.8106.6-45.30000123.1
394K28Very low28.9Very low191 Ų191120 Ų12083%0.8381%0.808SS**  trans64.5160.2148.8-65.8177.9-179.6-179.10117.3
395T27.3Very low29.1Very low113 Ų113121.3 Ų121.369%0.69381%0.811SS**  cis-155.7162.213.9-18.50000111.1
396D27.7Very low28.9Very low163 Ų163126.9 Ų126.987%0.87281%0.814SS**  trans54.1152.5153.8-71.8-8.1000123
397G28.6Very low29.1Very low78 Ų78125.3 Ų125.380%0.80481%0.808SS**  trans154.41141.200000123.9
398G28Very low29.1Very low87 Ų87132.3 Ų132.390%0.89782%0.817SS**  trans67.8166.316100000120.7
399G27.8Very low29.2Very low81 Ų81138.7 Ų138.784%0.83583%0.826SS**  trans124.267.5152.800000121.1
400G27.4Very low29.4Very low89 Ų89133.6 Ų133.692%0.91882%0.821SS**  trans75.915213500000122
401G28.2Very low29.7Very low85 Ų85134.5 Ų134.588%0.87683%0.828SS**  trans122.999.2163.700000114.9
402G28Very low30.2Very low87 Ų87131 Ų13190%0.89783%0.827SS**  trans-85.7170.8179.600000114.8
403G29.6Very low30.7Very low81 Ų81128.2 Ų128.284%0.83582%0.821SS**  trans166.192173.500000113.1
404E31.8Very low31.2Very low207 Ų207126.1 Ų126.197%0.96781%0.811SS**  trans-73.3134.4177.1-65179.4105.500112.5
405A32.1Very low31.8Very low101 Ų101121.5 Ų121.584%0.83580%0.799SS**  trans-143.2120.5158.800000110.4
406R32.5Very low32.1Very low258 Ų258123.7 Ų123.797%0.97480%0.801SS**  trans-100.996.7-162.1-168.5178.1-179.2-1701.7112.7
407G30.9Very low32.4Very low68 Ų68118.8 Ų118.870%0.70178%0.779SS**  trans90.9130.314500000119.7
408R31.1Very low32.7Very low258 Ų258121.4 Ų121.497%0.97477%0.77SS**  -162.2141.9116.5-104.4170.4-175.5-176.51.9110.6G410R408-G410 PolarHBondContact O-N 3.04Å
409R41.8Very low33.2Very low251 Ų251124.2 Ų124.295%0.94776%0.762SS**  trans-86.1102.8-173.6-172-175.8-169.6-1565.6110
410G30Very low33.8Very low69 Ų69123.6 Ų123.671%0.71175%0.745SS**  trans-83.8138.9171.400000112.1R408R408-G410 PolarHBondContact O-N 3.04Å
411S32.7Very low34.5Very low89 Ų89126.1 Ų126.162%0.62274%0.735SS**  trans-76130.3-174.5-480000112.7T413S411-T413 WeakPolarHBondContact CB-OG1 3.5Å; S411-T413 PolarHBondContact O-N 2.86Å
412V38.2Very low35.5Very low125 Ų125124.8 Ų124.876%0.75871%0.711SS**THydrogen-bonded Turntrans-75.219.1174.2-71.90000114.3
413T37.3Very low36.8Very low105 Ų105122.7 Ų122.764%0.64468%0.682SS**THydrogen-bonded Turntrans-101.3-7.8-171.751.60000114.9S411 S417S411-T413 WeakPolarHBondContact CB-OG1 3.5Å; S411-T413 PolarHBondContact O-N 2.86Å; T413-S417 PolarHBondContact O-OG 2.66Å
414S36Very low38.1Very low63 Ų63125 Ų12544%0.44167%0.673SS.*SBendtrans-87.2-34.1178.245.60000113.8E416 S417 E418S414-E416 PolarHBondContact O-N 3.02Å; S414-S417 PolarHBondContact O-N 3.41Å; S414-S417 PolarHBondContact O-OG 3.35Å; S414-E418 PolarHBondContact O-N 2.6Å
415V40Very low39.6Very low94 Ų94118.2 Ų118.257%0.5765%0.648SS**Hα-helixtrans-69.9-31.1-174.3-107.20000113.9M419V415-M419 WeakPolarHBondContact O-CB 3.39Å; V415-M419 PolarHBondContact O-N 3.41Å
416E34.3Very low41.3Very low159 Ų159118 Ų11874%0.74363%0.63SS**Hα-helixtrans-75.7-28.5175.5-66.6-170.314400112.7S414 S420S414-E416 PolarHBondContact O-N 3.02Å; E416-S420 PolarHBondContact O-N 3.01Å
417S34.3Very low43.5Very low59 Ų59106.2 Ų106.241%0.41359%0.586SS.*Hα-helixtrans-75.1-44.5179.826.40000111.4T413 S414 M419 S420 M421T413-S417 PolarHBondContact O-OG 2.66Å; S414-S417 PolarHBondContact O-N 3.41Å; S414-S417 PolarHBondContact O-OG 3.35Å; S417-M419 PolarHBondContact O-N 2.96Å; S417-S420 PolarHBondContact O-N 3.28Å; S417-S420 PolarHBondContact O-OG 2.86Å; S417-M421 PolarHBondContact O-N 3.4Å; S417-M421 VanDerWaalsContact O-N 3.12Å
418E35.6Very low45.8Very low133 Ų133104.7 Ų104.762%0.62157%0.571SS**Hα-helixtrans-59.4-43.5174.2-69.6175.317000112.3S414 S420 M421 C422S414-E418 PolarHBondContact O-N 2.6Å; E418-S420 VanDerWaalsContact C-N 3.28Å; E418-S420 PolarHBondContact O-N 2.6Å; E418-M421 PolarHBondContact O-N 2.8Å; E418-C422 WeakPolarHBondContact O-CB 3.35Å; E418-C422 PolarHBondContact O-N 2.95Å
419M38.1Very low48.1Very low147 Ų14797.3 Ų97.372%0.72455%0.551SS**Hα-helixtrans-61.6-35.5177-159.568.5157.900112.4V415 S417 S423V415-M419 WeakPolarHBondContact O-CB 3.39Å; V415-M419 PolarHBondContact O-N 3.41Å; S417-M419 PolarHBondContact O-N 2.96Å; M419-S423 PolarHBondContact O-N 2.72Å
420S39.3Very low50Low67 Ų6787 Ų8747%0.46952%0.516SS..Hα-helixtrans-73-36.4178.177.40000113.2E416 S417 E418 M424E416-S420 PolarHBondContact O-N 3.01Å; S417-S420 PolarHBondContact O-N 3.28Å; S417-S420 PolarHBondContact O-OG 2.86Å; E418-S420 VanDerWaalsContact C-N 3.28Å; E418-S420 PolarHBondContact O-N 2.6Å; S420-M424 PolarHBondContact O-N 3.25Å
421M42.7Very low52.7Low143 Ų14385 Ų8570%0.70449%0.488SS*.Hα-helixtrans-72.1-36.8176.5-69.6-164.268.900112S417 E418 M424 S425S417-M421 PolarHBondContact O-N 3.4Å; S417-M421 VanDerWaalsContact O-N 3.12Å; E418-M421 PolarHBondContact O-N 2.8Å; M421-M424 PolarHBondContact O-N 2.82Å; M421-S425 PolarHBondContact O-N 3.46Å; M421-S425 VanDerWaalsContact O-N 3.1Å; M421-S425 PolarHBondContact O-OG 3.18Å
422C49.9Very low55.1Low57 Ų5783.5 Ų83.539%0.38548%0.481SS..Hα-helixtrans-62.4-43.5174.4-168.20000112.2E418 M424 S425 Q426E418-C422 WeakPolarHBondContact O-CB 3.35Å; E418-C422 PolarHBondContact O-N 2.95Å; C422-M424 VanDerWaalsContact C-N 3.34Å; C422-M424 PolarHBondContact O-N 2.65Å; C422-S425 PolarHBondContact O-N 3.4Å; C422-S425 PolarHBondContact O-OG 3.03Å; C422-Q426 WeakPolarHBondContact O-CB 3.23Å; C422-Q426 WeakPolarHBondContact O-CG 3.48Å; C422-Q426 PolarHBondContact O-N 3.15Å
423S55.1Low57.4Low42 Ų4282.8 Ų82.829%0.29447%0.473SS..Hα-helixtrans-65.4-34.4177.9179.70000113.3L376 M419 L427L376-S423 WeakPolarHBondContact CD1-OG 3.39Å; M419-S423 PolarHBondContact O-N 2.72Å; S423-L427 WeakPolarHBondContact O-CB 3.33Å; S423-L427 PolarHBondContact O-N 3.12Å; S423-L427 VanDerWaalsContact O-N 3.08Å
424M56.9Low59.7Low130 Ų13078 Ų7864%0.6444%0.444SS*.Hα-helixtrans-74.7-37.3178.1-72.6-62.1-59.800112.9S420 M421 C422 G428S420-M424 PolarHBondContact O-N 3.25Å; M421-M424 PolarHBondContact O-N 2.82Å; C422-M424 VanDerWaalsContact C-N 3.34Å; C422-M424 PolarHBondContact O-N 2.65Å; M424-G428 PolarHBondContact O-N 2.73Å
425S62.3Low62.1Low64 Ų6477.4 Ų77.445%0.44844%0.439SS..Hα-helixtrans-70.2-39.8174.156.40000111.9M421 C422 L427 G428 N429M421-S425 PolarHBondContact O-N 3.46Å; M421-S425 VanDerWaalsContact O-N 3.1Å; M421-S425 PolarHBondContact O-OG 3.18Å; C422-S425 PolarHBondContact O-N 3.4Å; C422-S425 PolarHBondContact O-OG 3.03Å; S425-L427 PolarHBondContact O-N 3.31Å; S425-G428 PolarHBondContact O-N 3.18Å; S425-N429 VanDerWaalsContact O-CG 3.31Å; S425-N429 PolarHBondContact O-N 2.93Å; S425-N429 PolarHBondContact O-OD1 3.25Å
426Q69.2Low64.1Low96 Ų9676.5 Ų76.545%0.44944%0.438SS..Hα-helixtrans-56.3-49170.8-75.5169.9-11.400111.8L376 C422 G428 N429 T430L376-Q426 HydrophobicContact CD2-CB 4.19Å; C422-Q426 WeakPolarHBondContact O-CB 3.23Å; C422-Q426 WeakPolarHBondContact O-CG 3.48Å; C422-Q426 PolarHBondContact O-N 3.15Å; Q426-G428 VanDerWaalsContact C-N 3.32Å; Q426-G428 PolarHBondContact O-N 3.45Å; Q426-N429 PolarHBondContact O-N 3.14Å; Q426-T430 PolarHBondContact O-N 3.04Å; Q426-T430 PolarHBondContact O-OG1 2.97Å; Q426-T430 VanDerWaalsContact O-OG1 3.09Å
427L77.2Confident66.5Low11 Ų1170.9 Ų70.96%0.05842%0.416CS..Hα-helixtrans-63.3-37.6178.1-170.464.4000112.3I368 Q369 P372 L376 S423 S425 T430 I431I368-L427 HydrophobicContact CG2-CD1 3.87Å; Q369-L427 HydrophobicContact CG-CD2 4.48Å; P372-L427 HydrophobicContact CB-CD1 4.4Å; P372-L427 HydrophobicContact CB-CD2 4.18Å; L376-L427 HydrophobicContact CD2-CB 4.41Å; S423-L427 WeakPolarHBondContact O-CB 3.33Å; S423-L427 PolarHBondContact O-N 3.12Å; S423-L427 VanDerWaalsContact O-N 3.08Å; S425-L427 PolarHBondContact O-N 3.31Å; L427-T430 PolarHBondContact O-N 3.27Å; L427-I431 HydrophobicContact CG-CD1 4.29Å; L427-I431 WeakPolarHBondContact O-CD1 3.13Å; L427-I431 VanDerWaalsContact O-CG1 3.24Å; L427-I431 WeakPolarHBondContact O-CG1 3.22Å; L427-I431 PolarHBondContact O-N 3.42Å
428G79.2Confident69.1Low36 Ų3668.8 Ų68.837%0.37140%0.399SS..Hα-helixtrans-60.2-46.4172.500000112.7M424 S425 Q426 I431 A432M424-G428 PolarHBondContact O-N 2.73Å; S425-G428 PolarHBondContact O-N 3.18Å; Q426-G428 VanDerWaalsContact C-N 3.32Å; Q426-G428 PolarHBondContact O-N 3.45Å; G428-I431 PolarHBondContact O-N 3Å; G428-A432 PolarHBondContact O-N 3.24Å
429N79.8Confident71.8Confident103 Ų10363.1 Ų63.155%0.55137%0.372SS*.Hα-helixtrans-63-42176-67.5-8.8000111.7S425 Q426 I431 A432 N433S425-N429 VanDerWaalsContact O-CG 3.31Å; S425-N429 PolarHBondContact O-N 2.93Å; S425-N429 PolarHBondContact O-OD1 3.25Å; Q426-N429 PolarHBondContact O-N 3.14Å; N429-I431 VanDerWaalsContact C-N 3.32Å; N429-I431 PolarHBondContact O-N 3.29Å; N429-A432 PolarHBondContact O-N 3.17Å; N429-N433 WeakPolarHBondContact O-CB 3.26Å; N429-N433 PolarHBondContact O-N 3.21Å; N429-N433 PolarHBondContact O-OD1 3.44Å
430T82.7Confident74.3Confident36 Ų3657.3 Ų57.322%0.22135%0.349CS..Hα-helixtrans-61.5-39175-56.10000112.2F375 Q426 L427 I434F375-T430 HydrophobicContact CB-CG2 4.24Å; F375-T430 HydrophobicContact CD1-CG2 4.4Å; Q426-T430 PolarHBondContact O-N 3.04Å; Q426-T430 PolarHBondContact O-OG1 2.97Å; Q426-T430 VanDerWaalsContact O-OG1 3.09Å; L427-T430 PolarHBondContact O-N 3.27Å; T430-I434 HydrophobicContact CG2-CD1 3.75Å; T430-I434 HydrophobicContact CG2-CG1 4.47Å; T430-I434 WeakPolarHBondContact O-CB 3.38Å; T430-I434 VanDerWaalsContact O-CG1 3.27Å; T430-I434 WeakPolarHBondContact O-CG1 3.48Å; T430-I434 PolarHBondContact O-N 3.19Å
431I85.6Confident76.6Confident26 Ų2657.4 Ų57.413%0.13335%0.35CS..Hα-helixtrans-64.2-48.9175-68.2160.2000110.5I368 Q369 L427 G428 N429 N433 I434 S435I368-I431 HydrophobicContact CB-CG1 3.99Å; I368-I431 HydrophobicContact CD1-CG1 4.15Å; I368-I431 HydrophobicContact CG2-CD1 4.29Å; I368-I431 HydrophobicContact CG2-CG1 3.62Å; Q369-I431 HydrophobicContact CG-CD1 3.59Å; L427-I431 HydrophobicContact CG-CD1 4.29Å; L427-I431 WeakPolarHBondContact O-CD1 3.13Å; L427-I431 VanDerWaalsContact O-CG1 3.24Å; L427-I431 WeakPolarHBondContact O-CG1 3.22Å; L427-I431 PolarHBondContact O-N 3.42Å; G428-I431 PolarHBondContact O-N 3Å; N429-I431 VanDerWaalsContact C-N 3.32Å; N429-I431 PolarHBondContact O-N 3.29Å; I431-N433 PolarHBondContact O-N 3Å; I431-I434 PolarHBondContact O-N 3.28Å; I431-S435 VanDerWaalsContact O-CB 3.3Å; I431-S435 WeakPolarHBondContact O-CB 3.27Å; I431-S435 PolarHBondContact O-N 3.37Å; I431-S435 PolarHBondContact O-OG 2.95Å; I431-S435 VanDerWaalsContact O-OG 3.08Å
432A84.5Confident79Confident57 Ų5751.6 Ų51.647%0.47132%0.321SS..Hα-helixtrans-59.3-46.4178.300000112.1G428 N429 S435 S436G428-A432 PolarHBondContact O-N 3.24Å; N429-A432 PolarHBondContact O-N 3.17Å; A432-S435 PolarHBondContact O-N 2.98Å; A432-S436 PolarHBondContact O-N 3.16Å
433N85.6Confident81.2Confident111 Ų11149.6 Ų49.659%0.59431%0.305SS*.Hα-helixtrans-60.4-47.5178-70.9-7.5000112N429 I431 S436N429-N433 WeakPolarHBondContact O-CB 3.26Å; N429-N433 PolarHBondContact O-N 3.21Å; N429-N433 PolarHBondContact O-OD1 3.44Å; I431-N433 PolarHBondContact O-N 3Å; N433-S436 PolarHBondContact O-N 2.95Å; N433-S436 PolarHBondContact O-OG 2.81Å
434I85.5Confident83.1Confident4 Ų447.6 Ų47.62%0.02129%0.291CS..Hα-helixtrans-64.2-47.3177.4-68.1167.6000110.3Q337 I364 I368 F375 T430 I431 S436 S437 W438Q337-I434 HydrophobicContact CG-CD1 4.03Å; Q337-I434 HydrophobicContact CG-CG1 4.16Å; I364-I434 HydrophobicContact CG1-CG2 4.4Å; I368-I434 HydrophobicContact CD1-CB 4.16Å; I368-I434 HydrophobicContact CD1-CD1 3.75Å; I368-I434 HydrophobicContact CD1-CG2 4.07Å; I368-I434 HydrophobicContact CG1-CD1 4.37Å; F375-I434 HydrophobicContact CD1-CD1 4.02Å; F375-I434 HydrophobicContact CE1-CD1 3.92Å; T430-I434 HydrophobicContact CG2-CD1 3.75Å; T430-I434 HydrophobicContact CG2-CG1 4.47Å; T430-I434 WeakPolarHBondContact O-CB 3.38Å; T430-I434 VanDerWaalsContact O-CG1 3.27Å; T430-I434 WeakPolarHBondContact O-CG1 3.48Å; T430-I434 PolarHBondContact O-N 3.19Å; I431-I434 PolarHBondContact O-N 3.28Å; I434-S436 PolarHBondContact O-N 3.45Å; I434-S437 PolarHBondContact O-N 3.26Å; I434-S437 VanDerWaalsContact O-N 3.15Å; I434-S437 PolarHBondContact O-OG 2.9Å; I434-W438 HydrophobicContact CG2-CD2 4.47Å; I434-W438 HydrophobicContact CG2-CE3 3.79Å; I434-W438 HydrophobicContact CG2-CZ3 4.27Å; I434-W438 WeakPolarHBondContact O-CB 3.44Å; I434-W438 PolarHBondContact O-N 3.39Å; I434-W438 VanDerWaalsContact O-N 3.15Å
435S85.6Confident85Confident50 Ų5041.4 Ų41.435%0.3526%0.261SS..Hα-helixtrans-59.5-28.9179.9-69.30000113.6I431 A432 S437I431-S435 VanDerWaalsContact O-CB 3.3Å; I431-S435 WeakPolarHBondContact O-CB 3.27Å; I431-S435 PolarHBondContact O-N 3.37Å; I431-S435 PolarHBondContact O-OG 2.95Å; I431-S435 VanDerWaalsContact O-OG 3.08Å; A432-S435 PolarHBondContact O-N 2.98Å; S435-S437 VanDerWaalsContact C-N 3.27Å; S435-S437 PolarHBondContact O-N 2.68Å
436S83.5Confident86.6Confident76 Ų7638.4 Ų38.453%0.53124%0.24SC..THydrogen-bonded Turntrans-67.7-20.5178780000115.5R312 A432 N433 I434R312-S436 PolarHBondContact NH2-O 2.98Å; A432-S436 PolarHBondContact O-N 3.16Å; N433-S436 PolarHBondContact O-N 2.95Å; N433-S436 PolarHBondContact O-OG 2.81Å; I434-S436 PolarHBondContact O-N 3.45Å
437S83.1Confident87.9Confident40 Ų4034.5 Ų34.528%0.2822%0.224SC..THydrogen-bonded Turntrans-121.67.3-178.156.30000113I434 S435I434-S437 PolarHBondContact O-N 3.26Å; I434-S437 VanDerWaalsContact O-N 3.15Å; I434-S437 PolarHBondContact O-OG 2.9Å; S435-S437 VanDerWaalsContact C-N 3.27Å; S435-S437 PolarHBondContact O-N 2.68Å
438W90.8Very high88.7Confident16 Ų1634.2 Ų34.26%0.06122%0.222CC..SBendtrans-89.2147.2179.6-157.9-99.8000111.4E333 L336 Q337 F340 I364 I434 G440 K442 L444E333-W438 HydrophobicContact CB-CH2 3.88Å; E333-W438 HydrophobicContact CG-CH2 3.74Å; E333-W438 HydrophobicContact CG-CZ2 3.9Å; L336-W438 HydrophobicContact CB-CE3 4.39Å; L336-W438 HydrophobicContact CB-CZ3 4.27Å; L336-W438 HydrophobicContact CD1-CE3 4.24Å; L336-W438 HydrophobicContact CD1-CZ3 4.47Å; Q337-W438 HydrophobicContact CB-CZ3 4.3Å; F340-W438 AromaticContact CD1-CH2 3.99Å; F340-W438 HydrophobicContact CD1-CH2 3.99Å; F340-W438 HydrophobicContact CD2-CH2 4.22Å; F340-W438 HydrophobicContact CD2-CZ3 4.18Å; F340-W438 AromaticContact CE1-CH2 3.88Å; F340-W438 HydrophobicContact CE1-CH2 3.88Å; F340-W438 HydrophobicContact CE1-CZ2 4.49Å; F340-W438 HydrophobicContact CE2-CH2 4.11Å; F340-W438 AromaticContact CE2-CZ3 3.99Å; F340-W438 HydrophobicContact CE2-CZ3 3.99Å; F340-W438 HydrophobicContact CG-CH2 4.18Å; F340-W438 AromaticContact CZ-CH2 3.95Å; F340-W438 HydrophobicContact CZ-CH2 3.95Å; F340-W438 HydrophobicContact CZ-CZ3 4.21Å; I364-W438 HydrophobicContact CD1-CD2 4.08Å; I364-W438 HydrophobicContact CD1-CE3 4.41Å; I364-W438 HydrophobicContact CD1-CH2 3.72Å; I364-W438 HydrophobicContact CD1-CZ2 3.32Å; I364-W438 HydrophobicContact CD1-CZ3 4.25Å; I364-W438 HydrophobicContact CG1-CD2 3.98Å; I364-W438 HydrophobicContact CG1-CE3 4.48Å; I364-W438 HydrophobicContact CG1-CG 4.3Å; I364-W438 HydrophobicContact CG1-CZ2 4.13Å; I434-W438 HydrophobicContact CG2-CD2 4.47Å; I434-W438 HydrophobicContact CG2-CE3 3.79Å; I434-W438 HydrophobicContact CG2-CZ3 4.27Å; I434-W438 WeakPolarHBondContact O-CB 3.44Å; I434-W438 PolarHBondContact O-N 3.39Å; I434-W438 VanDerWaalsContact O-N 3.15Å; W438-G440 PolarHBondContact O-N 3.35Å; W438-K442 PolarHBondContact NE1-O 3.4Å; W438-L444 HydrophobicContact CZ2-CB 4.5Å; W438-L444 HydrophobicContact CZ2-CD1 4.11Å; W438-L444 HydrophobicContact CZ2-CG 3.74Å
439W91.4Very high89.1Confident14 Ų1437.4 Ų37.45%0.05322%0.224CC..SBendtrans-84.661.3179.1-60.1-23.2000112.1F161 L296 V308 L311 P313 I318 L332 L336 L444F161-W439 HydrophobicContact CE2-CD2 4.42Å; F161-W439 HydrophobicContact CE2-CE3 4.03Å; F161-W439 AromaticContact CE2-CH2 3.52Å; F161-W439 HydrophobicContact CE2-CH2 3.52Å; F161-W439 AromaticContact CE2-CZ2 3.94Å; F161-W439 HydrophobicContact CE2-CZ2 3.94Å; F161-W439 AromaticContact CE2-CZ3 3.56Å; F161-W439 HydrophobicContact CE2-CZ3 3.56Å; F161-W439 AromaticContact CZ-CH2 3.43Å; F161-W439 HydrophobicContact CZ-CH2 3.43Å; F161-W439 VanDerWaalsContact CZ-CH2 3.43Å; F161-W439 AromaticContact CZ-CZ2 3.72Å; F161-W439 HydrophobicContact CZ-CZ2 3.72Å; F161-W439 AromaticContact CZ-CZ3 3.98Å; F161-W439 HydrophobicContact CZ-CZ3 3.98Å; L296-W439 HydrophobicContact CD1-CH2 3.68Å; L296-W439 HydrophobicContact CD1-CZ3 4.2Å; V308-W439 HydrophobicContact CG1-CH2 3.95Å; V308-W439 HydrophobicContact CG1-CZ2 4.02Å; L311-W439 HydrophobicContact CB-CZ2 4.07Å; L311-W439 PolarHBondContact O-NE1 2.87Å; P313-W439 HydrophobicContact CG-CD2 4.21Å; P313-W439 HydrophobicContact CG-CG 4.06Å; I318-W439 HydrophobicContact CB-CB 4.42Å; I318-W439 HydrophobicContact CD1-CB 4.25Å; I318-W439 HydrophobicContact CD1-CD2 4.3Å; I318-W439 HydrophobicContact CD1-CE3 3.94Å; I318-W439 HydrophobicContact CD1-CG 4.46Å; I318-W439 HydrophobicContact CG1-CB 4.35Å; I318-W439 PolarHBondContact N-O 3.29Å; L332-W439 HydrophobicContact CD1-CZ3 4.27Å; L336-W439 HydrophobicContact CD1-CD2 3.94Å; L336-W439 HydrophobicContact CD1-CE3 4.08Å; L336-W439 HydrophobicContact CD1-CG 4.27Å; L336-W439 HydrophobicContact CD2-CD2 4.27Å; L336-W439 HydrophobicContact CD2-CH2 4.12Å; L336-W439 HydrophobicContact CD2-CZ2 3.67Å; W439-L444 HydrophobicContact CB-CD1 4.15Å; W439-L444 HydrophobicContact CB-CD2 4.22Å; W439-L444 HydrophobicContact CE3-CD1 4.1Å; W439-L444 WeakPolarHBondContact O-CD2 3.37Å
440G89.6Confident89.1Confident25 Ų2533.3 Ų33.326%0.25820%0.203SC..SBendtrans121-156.2177.900000113.6S316 W438S316-G440 VanDerWaalsContact O-CA 3.22Å; S316-G440 WeakPolarHBondContact O-CA 3.21Å; W438-G440 PolarHBondContact O-N 3.35Å
441S89.4Confident88.6Confident69 Ų6934.1 Ų34.148%0.48321%0.209SC..SBendtrans-109.4-16.4-177.762.10000114.3I364I364-S441 WeakPolarHBondContact CG2-O 3.47Å; I364-S441 PolarHBondContact N-O 2.96Å
442K93.4Very high87.8Confident21 Ų2137.9 Ų37.99%0.09123%0.23CC..BIsolated β-bridgetrans-103160.7179.6-64.5170.9176.21740110.7Q317 F319 L362 L363 W438 D488Q317-K442 PolarHBondContact NE2-O 3.49Å; F319-K442 HydrophobicContact CE1-CB 4.42Å; F319-K442 HydrophobicContact CE1-CD 4.15Å; F319-K442 HydrophobicContact CZ-CD 4.15Å; L362-K442 HydrophobicContact CB-CB 4.09Å; L362-K442 HydrophobicContact CB-CD 4.1Å; L362-K442 HydrophobicContact CB-CG 3.94Å; L362-K442 HydrophobicContact CD1-CD 4.37Å; L362-K442 CarbonylContact O-C 3.58Å; L362-K442 WeakPolarHBondContact O-CA 3.35Å; L362-K442 WeakPolarHBondContact O-CB 3.47Å; L363-K442 HydrophobicContact CD2-CG 4.23Å; W438-K442 PolarHBondContact NE1-O 3.4Å; K442-D488 IonicContact NZ-OD1 3.35Å; K442-D488 IonicContact NZ-OD2 2.74Å; K442-D488 PolarHBondContact NZ-OD2 3.22Å; K442-D488 VanDerWaalsContact NZ-OD2 3.13Å
443R94.1Very high86.8Confident15 Ų1540.2 Ų40.26%0.05724%0.238CC..  trans-50.2153.8167.3-71.1-69.6-63.6-84.20.6110.3E333 P344 L362 S367 F446E333-R443 IonicContact OE1-CZ 2.81Å; E333-R443 IonicContact OE1-NE 2.95Å; E333-R443 PolarHBondContact OE1-NE 3.08Å; E333-R443 IonicContact OE1-NH2 3.06Å; E333-R443 PolarHBondContact OE1-NH2 3.23Å; E333-R443 IonicContact OE2-CZ 2.78Å; E333-R443 IonicContact OE2-NE 3.52Å; E333-R443 PolarHBondContact OE2-NE 3.17Å; E333-R443 IonicContact OE2-NH2 2.71Å; E333-R443 PolarHBondContact OE2-NH2 3.47Å; P344-R443 PolarHBondContact O-NH2 3.45Å; L362-R443 PolarHBondContact O-N 2.81Å; S367-R443 WeakPolarHBondContact OG-CD 3.46Å; S367-R443 WeakPolarHBondContact OG-CG 3.37Å; R443-F446 HydrophobicContact CB-CZ 4.2Å; R443-F446 WeakPolarHBondContact O-CE2 3.46Å; R443-F446 WeakPolarHBondContact O-CZ 3.35Å
444L95.3Very high86Confident0 Ų036.5 Ų36.50%022%0.217CC..  trans-105.2-39.9-176.7-52.9-178.7000112.3I318 N320 E333 L336 W438 W439 F446I318-L444 HydrophobicContact CB-CD2 4.35Å; I318-L444 VanDerWaalsContact O-CD2 3.26Å; I318-L444 WeakPolarHBondContact O-CD2 3.46Å; N320-L444 WeakPolarHBondContact CA-O 3.46Å; N320-L444 WeakPolarHBondContact CB-O 3.29Å; N320-L444 PolarHBondContact N-O 3.35Å; E333-L444 HydrophobicContact CG-CB 3.92Å; E333-L444 HydrophobicContact CG-CG 4.5Å; E333-L444 PolarHBondContact OE1-N 3.49Å; L336-L444 HydrophobicContact CD1-CD1 3.38Å; W438-L444 HydrophobicContact CZ2-CB 4.5Å; W438-L444 HydrophobicContact CZ2-CD1 4.11Å; W438-L444 HydrophobicContact CZ2-CG 3.74Å; W439-L444 HydrophobicContact CB-CD1 4.15Å; W439-L444 HydrophobicContact CB-CD2 4.22Å; W439-L444 HydrophobicContact CE3-CD1 4.1Å; W439-L444 WeakPolarHBondContact O-CD2 3.37Å; L444-F446 WeakPolarHBondContact O-CD2 3.47Å; L444-F446 WeakPolarHBondContact O-CE2 3.39Å
445D97.3Very high85.1Confident0 Ų040.4 Ų40.40%024%0.242CC..EExtended strand (participates in β ladder)trans-91.3120-174.4-72-30.3000111.6N320 F322 R331 L332 E333 P345 F346N320-D445 PolarHBondContact ND2-OD1 2.91Å; F322-D445 HydrophobicContact CE1-CB 3.89Å; F322-D445 HydrophobicContact CZ-CB 4.31Å; R331-D445 WeakPolarHBondContact CA-OD1 3.38Å; R331-D445 VanDerWaalsContact CB-OD2 3.27Å; R331-D445 WeakPolarHBondContact CB-OD2 3.48Å; R331-D445 WeakPolarHBondContact CG-OD2 3.38Å; R331-D445 IonicContact CZ-OD2 3.56Å; R331-D445 IonicContact NE-OD2 3.5Å; R331-D445 PolarHBondContact NE-OD2 3.21Å; R331-D445 IonicContact NH2-OD2 2.72Å; L332-D445 PolarHBondContact N-OD1 2.97Å; L332-D445 PolarHBondContact N-OD2 2.98Å; E333-D445 WeakPolarHBondContact CB-OD2 3.21Å; E333-D445 HydrophobicContact CG-CB 3.97Å; E333-D445 WeakPolarHBondContact CG-OD2 3.34Å; E333-D445 PolarHBondContact N-OD2 3.39Å; E333-D445 VanDerWaalsContact N-OD2 3.15Å; E333-D445 PolarHBondContact OE1-N 3.19Å; E333-D445 VanDerWaalsContact OE1-N 3.07Å; P345-D445 HydrophobicContact CB-CB 3.79Å; F346-D445 PolarHBondContact N-O 2.85Å
446F96.8Very high84.4Confident0 Ų042.1 Ų42.10%026%0.259CS..EExtended strand (participates in β ladder)trans-121114.8-178.7-67.6-87.2000111.5F319 N320 L321 F322 F346 V348 L362 R443 L444 F479F319-F446 HydrophobicContact CB-CD2 4.42Å; F319-F446 HydrophobicContact CB-CE2 4.39Å; F319-F446 HydrophobicContact CD1-CD2 4.27Å; F319-F446 AromaticContact CD1-CE2 3.54Å; F319-F446 HydrophobicContact CD1-CE2 3.54Å; F319-F446 AromaticContact CD1-CZ 3.92Å; F319-F446 HydrophobicContact CD1-CZ 3.92Å; F319-F446 HydrophobicContact CE1-CE2 4.36Å; F319-F446 HydrophobicContact CE1-CZ 4.33Å; F319-F446 HydrophobicContact CG-CE2 4.44Å; N320-F446 PolarHBondContact O-N 2.98Å; L321-F446 WeakPolarHBondContact CA-O 3.43Å; L321-F446 HydrophobicContact CG-CB 4.12Å; F322-F446 PolarHBondContact N-O 3.45Å; F346-F446 HydrophobicContact CB-CD1 3.81Å; F346-F446 HydrophobicContact CB-CE1 3.87Å; F346-F446 AromaticContact CD1-CD1 3.74Å; F346-F446 HydrophobicContact CD1-CD1 3.74Å; F346-F446 AromaticContact CD1-CE1 3.77Å; F346-F446 HydrophobicContact CD1-CE1 3.77Å; F346-F446 HydrophobicContact CG-CD1 4.07Å; F346-F446 AromaticContact CG-CE1 3.88Å; F346-F446 HydrophobicContact CG-CE1 3.88Å; F346-F446 CarbonylContact O-C 3.5Å; F346-F446 VanDerWaalsContact O-CA 3.3Å; F346-F446 WeakPolarHBondContact O-CA 3.34Å; V348-F446 HydrophobicContact CG2-CB 3.8Å; V348-F446 HydrophobicContact CG2-CD1 4.35Å; L362-F446 HydrophobicContact CD1-CE1 4.43Å; L362-F446 HydrophobicContact CD2-CE1 4.14Å; R443-F446 HydrophobicContact CB-CZ 4.2Å; R443-F446 WeakPolarHBondContact O-CE2 3.46Å; R443-F446 WeakPolarHBondContact O-CZ 3.35Å; L444-F446 WeakPolarHBondContact O-CD2 3.47Å; L444-F446 WeakPolarHBondContact O-CE2 3.39Å; F446-F479 AromaticContact CD1-CE2 3.51Å; F446-F479 HydrophobicContact CD1-CE2 3.51Å; F446-F479 AromaticContact CD1-CZ 3.66Å; F446-F479 HydrophobicContact CD1-CZ 3.66Å; F446-F479 HydrophobicContact CD2-CZ 4.12Å; F446-F479 AromaticContact CE1-CE2 3.56Å; F446-F479 HydrophobicContact CE1-CE2 3.56Å; F446-F479 AromaticContact CE1-CZ 3.58Å; F446-F479 HydrophobicContact CE1-CZ 3.58Å; F446-F479 HydrophobicContact CE2-CZ 4.07Å; F446-F479 HydrophobicContact CG-CE2 4.17Å; F446-F479 AromaticContact CG-CZ 3.94Å; F446-F479 HydrophobicContact CG-CZ 3.94Å; F446-F479 HydrophobicContact CZ-CE2 4.26Å; F446-F479 AromaticContact CZ-CZ 3.81Å; F446-F479 HydrophobicContact CZ-CZ 3.81Å
447A95.8Very high83.9Confident14 Ų1443 Ų4312%0.11625%0.254CS..EExtended strand (participates in β ladder)trans-91.6120179.100000111.2F322 P324 P345 F346 V348F322-A447 HydrophobicContact CE2-CB 4.44Å; F322-A447 WeakPolarHBondContact O-CA 3.22Å; P324-A447 HydrophobicContact CG-CB 4.12Å; P345-A447 HydrophobicContact CB-CB 4.14Å; P345-A447 HydrophobicContact CG-CB 3.72Å; F346-A447 PolarHBondContact O-N 3.11Å; V348-A447 PolarHBondContact N-O 3.46Å
448L93.8Very high83.7Confident5 Ų544.7 Ų44.73%0.02626%0.263CS..  trans-76.7156.3170.3-65.8170.2000111L321 F322 Y323 P324 V348 C450 Y470 D475 V476L321-L448 HydrophobicContact CD2-CD2 4.49Å; F322-L448 PolarHBondContact O-N 3.29Å; Y323-L448 HydrophobicContact CD1-CB 3.62Å; Y323-L448 HydrophobicContact CD1-CD1 4.36Å; Y323-L448 HydrophobicContact CD2-CD1 4.11Å; Y323-L448 HydrophobicContact CE1-CB 3.57Å; Y323-L448 HydrophobicContact CE1-CD1 3.98Å; Y323-L448 HydrophobicContact CE1-CG 4.41Å; Y323-L448 HydrophobicContact CE2-CD1 3.67Å; Y323-L448 HydrophobicContact CG-CB 4.21Å; Y323-L448 HydrophobicContact CG-CD1 4.42Å; P324-L448 VanDerWaalsContact CD-O 3.27Å; P324-L448 WeakPolarHBondContact CD-O 3.42Å; V348-L448 HydrophobicContact CB-CD2 4.04Å; V348-L448 HydrophobicContact CG1-CD2 4.08Å; V348-L448 HydrophobicContact CG2-CD2 3.98Å; L448-C450 PolarHBondContact O-N 3.21Å; L448-Y470 HydrophobicContact CD1-CD1 3.81Å; L448-Y470 HydrophobicContact CD1-CE1 3.65Å; L448-D475 HydrophobicContact CD2-CB 4.14Å; L448-V476 HydrophobicContact CD1-CG2 3.56Å; L448-V476 HydrophobicContact CD2-CG2 3.85Å; L448-V476 HydrophobicContact CG-CG2 4.36Å
449Y88Confident83Confident103 Ų10347.6 Ų47.640%0.40428%0.283SS..  trans-74.7113.5172.9175.4-98.9000110.5Y323 R350 P451Y323-Y449 WeakPolarHBondContact CE1-O 3.45Å; R350-Y449 VanDerWaalsContact NH1-CZ 3.33Å; Y449-P451 HydrophobicContact CE1-CG 4.23Å
450C78.6Confident82.3Confident17 Ų1748.7 Ų48.712%0.11529%0.291CS..  trans-90.8126.5171-171.40000110.2Y323 L448Y323-C450 HydrophobicContact CD1-CB 4.13Å; L448-C450 PolarHBondContact O-N 3.21Å
451P72.4Confident81.9Confident54 Ų5449 Ų4935%0.35129%0.291SS..  trans-67.4137166.6-18.432000111.5Y449 V453 L454Y449-P451 HydrophobicContact CE1-CG 4.23Å; P451-V453 PolarHBondContact O-N 2.72Å; P451-L454 PolarHBondContact O-N 3.17Å; P451-L454 VanDerWaalsContact O-N 3.07Å
452D69.3Low81.7Confident105 Ų10546.4 Ų46.456%0.56127%0.272SS*.G310 helixtrans-58.6-27.2-177.1-51.1-45.4000113.4L454 T455D452-L454 PolarHBondContact O-N 2.9Å; D452-T455 WeakPolarHBondContact O-CB 3.38Å; D452-T455 PolarHBondContact O-N 3.2Å; D452-T455 PolarHBondContact O-OG1 3.03Å
453V64.8Low81.4Confident106 Ų10645.5 Ų45.564%0.64227%0.268SS*.G310 helixtrans-58-33.2178.3-175.50000112P451 T455 A456 F457P451-V453 PolarHBondContact O-N 2.72Å; V453-T455 VanDerWaalsContact C-N 3.25Å; V453-T455 PolarHBondContact O-N 2.95Å; V453-A456 WeakPolarHBondContact O-CB 3.3Å; V453-A456 PolarHBondContact O-N 3.41Å; V453-F457 HydrophobicContact CG1-CE2 4.43Å; V453-F457 WeakPolarHBondContact O-CD2 3.49Å
454L66.8Low81Confident32 Ų3248.7 Ų48.717%0.16828%0.283CS..G310 helixtrans-67.1-27.8178.3-64.6-179.5000112P451 D452 A456 F457 L462 F466P451-L454 PolarHBondContact O-N 3.17Å; P451-L454 VanDerWaalsContact O-N 3.07Å; D452-L454 PolarHBondContact O-N 2.9Å; L454-A456 PolarHBondContact O-N 3.25Å; L454-F457 HydrophobicContact CD2-CD2 4.45Å; L454-F457 HydrophobicContact CD2-CE2 4.3Å; L454-F457 PolarHBondContact O-N 3.27Å; L454-L462 VanDerWaalsContact O-CD2 3.25Å; L454-L462 WeakPolarHBondContact O-CD2 3.32Å; L454-F466 HydrophobicContact CB-CE1 4.34Å; L454-F466 HydrophobicContact CB-CZ 3.99Å; L454-F466 HydrophobicContact CD1-CD1 4.23Å; L454-F466 HydrophobicContact CD1-CE1 3.51Å; L454-F466 HydrophobicContact CD1-CZ 4.03Å
455T67Low80.6Confident86 Ų8651.7 Ų51.753%0.52830%0.299SS..G310 helixtrans-71.8-5.8176.873.50000114.2D452 V453D452-T455 WeakPolarHBondContact O-CB 3.38Å; D452-T455 PolarHBondContact O-N 3.2Å; D452-T455 PolarHBondContact O-OG1 3.03Å; V453-T455 VanDerWaalsContact C-N 3.25Å; V453-T455 PolarHBondContact O-N 2.95Å
456A71.1Confident80.3Confident86 Ų8651.7 Ų51.771%0.71130%0.299SS*.G310 helixtrans-93.7-6.4176.500000113.9V453 L454V453-A456 WeakPolarHBondContact O-CB 3.3Å; V453-A456 PolarHBondContact O-N 3.41Å; L454-A456 PolarHBondContact O-N 3.25Å
457F74.1Confident79.9Confident96 Ų9652.5 Ų52.542%0.42130%0.303SS..SBendtrans-82.1153.4176.1-74.6-97.6000111.7V453 L454 L462 L465V453-F457 HydrophobicContact CG1-CE2 4.43Å; V453-F457 WeakPolarHBondContact O-CD2 3.49Å; L454-F457 HydrophobicContact CD2-CD2 4.45Å; L454-F457 HydrophobicContact CD2-CE2 4.3Å; L454-F457 PolarHBondContact O-N 3.27Å; F457-L462 HydrophobicContact CB-CD2 3.87Å; F457-L465 HydrophobicContact CB-CD1 4.07Å; F457-L465 HydrophobicContact CD1-CD1 3.72Å; F457-L465 HydrophobicContact CD2-CD1 4.17Å; F457-L465 HydrophobicContact CE1-CD1 4.16Å; F457-L465 HydrophobicContact CG-CD1 3.72Å
458P78.2Confident79.6Confident74 Ų7453.7 Ų53.748%0.48131%0.313SS..  trans-57.6142.8173.4-22.933.9000111.7V460 A461P458-V460 HydrophobicContact CB-CG1 4.46Å; P458-V460 PolarHBondContact O-N 3.41Å; P458-V460 VanDerWaalsContact O-N 3.1Å; P458-A461 WeakPolarHBondContact O-CB 3.35Å; P458-A461 PolarHBondContact O-N 2.82Å
459T76.9Confident79.6Confident77 Ų7755 Ų5547%0.47232%0.322SS..THydrogen-bonded Turntrans-55.8-34.6-173.2-48.30000113L103 A461 L462 P463L103-T459 HydrophobicContact CD1-CG2 3.96Å; T459-A461 VanDerWaalsContact C-N 3.34Å; T459-A461 PolarHBondContact O-N 3.03Å; T459-L462 WeakPolarHBondContact O-CB 3.5Å; T459-L462 PolarHBondContact O-N 3.36Å; T459-P463 VanDerWaalsContact O-CD 3.31Å; T459-P463 WeakPolarHBondContact O-CD 3.37Å
460V76.8Confident79.8Confident38 Ų3850.3 Ų50.323%0.2330%0.304CS..THydrogen-bonded Turntrans-70.4-24177.468.50000114L27 V98 P458 P463L27-V460 HydrophobicContact CD1-CG2 3.67Å; L27-V460 VanDerWaalsContact CD1-O 3.29Å; L27-V460 WeakPolarHBondContact CD1-O 3.35Å; V98-V460 HydrophobicContact CB-CG1 4.39Å; V98-V460 HydrophobicContact CG1-CB 3.89Å; V98-V460 HydrophobicContact CG1-CG1 3.79Å; V98-V460 HydrophobicContact CG1-CG2 3.65Å; P458-V460 HydrophobicContact CB-CG1 4.46Å; P458-V460 PolarHBondContact O-N 3.41Å; P458-V460 VanDerWaalsContact O-N 3.1Å; V460-P463 WeakPolarHBondContact O-CD 3.24Å
461A80.8Confident80.6Confident30 Ų3049.6 Ų49.625%0.24830%0.299CS..THydrogen-bonded Turntrans-78.8-22.7175.600000112.2P458 T459 H464 L465P458-A461 WeakPolarHBondContact O-CB 3.35Å; P458-A461 PolarHBondContact O-N 2.82Å; T459-A461 VanDerWaalsContact C-N 3.34Å; T459-A461 PolarHBondContact O-N 3.03Å; A461-H464 PolarHBondContact O-N 3.06Å; A461-L465 HydrophobicContact CB-CD1 4.3Å; A461-L465 WeakPolarHBondContact O-CG 3.45Å; A461-L465 PolarHBondContact O-N 2.83Å; A461-L465 VanDerWaalsContact O-N 3.13Å
462L85.2Confident81.5Confident16 Ų1653.1 Ų53.18%0.08431%0.31CS..Hα-helixtrans-61.9-43.8-174.3-58.6-178.9000114P327 L454 F457 T459 H464 L465 F466P327-L462 HydrophobicContact CG-CB 3.92Å; P327-L462 HydrophobicContact CG-CD1 4.49Å; L454-L462 VanDerWaalsContact O-CD2 3.25Å; L454-L462 WeakPolarHBondContact O-CD2 3.32Å; F457-L462 HydrophobicContact CB-CD2 3.87Å; T459-L462 WeakPolarHBondContact O-CB 3.5Å; T459-L462 PolarHBondContact O-N 3.36Å; L462-H464 VanDerWaalsContact C-N 3.32Å; L462-H464 PolarHBondContact O-N 3.17Å; L462-L465 PolarHBondContact O-N 2.87Å; L462-F466 HydrophobicContact CB-CD2 3.96Å; L462-F466 HydrophobicContact CB-CE2 3.94Å; L462-F466 HydrophobicContact CD1-CE2 4.49Å; L462-F466 HydrophobicContact CD2-CE2 4.04Å; L462-F466 HydrophobicContact CG-CE2 4.37Å; L462-F466 WeakPolarHBondContact O-CB 3.28Å; L462-F466 WeakPolarHBondContact O-CD2 3.18Å; L462-F466 PolarHBondContact O-N 3.25Å
463P86.3Confident82.7Confident2 Ų248.8 Ų48.81%0.01329%0.288CS..Hα-helixtrans-53.9-43.9176.2-28.836000113.7I26 L27 L103 P327 T459 V460 H467I26-P463 HydrophobicContact CD1-CG 4.17Å; I26-P463 HydrophobicContact CG1-CB 4.06Å; I26-P463 HydrophobicContact CG1-CG 4.2Å; L27-P463 HydrophobicContact CD1-CB 4.19Å; L27-P463 HydrophobicContact CD1-CG 4.01Å; L27-P463 HydrophobicContact CG-CB 4.42Å; L27-P463 HydrophobicContact CG-CG 4.43Å; L103-P463 HydrophobicContact CD1-CG 3.93Å; L103-P463 HydrophobicContact CD2-CG 4.44Å; P327-P463 HydrophobicContact CG-CG 4.05Å; T459-P463 VanDerWaalsContact O-CD 3.31Å; T459-P463 WeakPolarHBondContact O-CD 3.37Å; V460-P463 WeakPolarHBondContact O-CD 3.24Å; P463-H467 WeakPolarHBondContact O-CB 3.26Å; P463-H467 PolarHBondContact O-N 2.79Å
464H85.1Confident84Confident82 Ų8246.2 Ų46.238%0.3827%0.273SS..Hα-helixtrans-70-44.5178.8-60.2-63.1000112N25 A461 L462 H467 A468N25-H464 PolarHBondContact ND2-ND1 3.28Å; N25-H464 VanDerWaalsContact ND2-ND1 3.1Å; N25-H464 PolarHBondContact OD1-CE1 3.44Å; N25-H464 VanDerWaalsContact OD1-CE1 3.25Å; N25-H464 PolarHBondContact OD1-ND1 3.41Å; A461-H464 PolarHBondContact O-N 3.06Å; L462-H464 VanDerWaalsContact C-N 3.32Å; L462-H464 PolarHBondContact O-N 3.17Å; H464-H467 PolarHBondContact O-N 3.34Å; H464-A468 PolarHBondContact O-N 2.77Å; H464-A468 VanDerWaalsContact O-N 3.09Å
465L87.8Confident85.3Confident63 Ų6345.6 Ų45.633%0.3327%0.27SS..Hα-helixtrans-63.5-43.2179.8-69.5172.4000112.3F457 A461 L462 S469F457-L465 HydrophobicContact CB-CD1 4.07Å; F457-L465 HydrophobicContact CD1-CD1 3.72Å; F457-L465 HydrophobicContact CD2-CD1 4.17Å; F457-L465 HydrophobicContact CE1-CD1 4.16Å; F457-L465 HydrophobicContact CG-CD1 3.72Å; A461-L465 HydrophobicContact CB-CD1 4.3Å; A461-L465 WeakPolarHBondContact O-CG 3.45Å; A461-L465 PolarHBondContact O-N 2.83Å; A461-L465 VanDerWaalsContact O-N 3.13Å; L462-L465 PolarHBondContact O-N 2.87Å; L465-S469 VanDerWaalsContact O-CB 3.26Å; L465-S469 WeakPolarHBondContact O-CB 3.45Å; L465-S469 PolarHBondContact O-N 2.8Å; L465-S469 VanDerWaalsContact O-N 3.08Å
466F89.8Confident86.6Confident0 Ų041.5 Ų41.50%024%0.244CC..Hα-helixtrans-73.2-40.2177.7-72.3-59.9000112.2Y323 S325 D326 L454 L462 A468 S469 Y470Y323-F466 HydrophobicContact CD1-CD1 4.43Å; Y323-F466 HydrophobicContact CD1-CE1 4.32Å; Y323-F466 HydrophobicContact CD2-CB 4.4Å; Y323-F466 AromaticContact CD2-CD1 3.45Å; Y323-F466 HydrophobicContact CD2-CD1 3.45Å; Y323-F466 VanDerWaalsContact CD2-CD1 3.45Å; Y323-F466 HydrophobicContact CD2-CE1 4.1Å; Y323-F466 HydrophobicContact CD2-CG 4.27Å; Y323-F466 HydrophobicContact CE2-CD1 4.18Å; Y323-F466 AromaticContact CG-CD1 3.61Å; Y323-F466 HydrophobicContact CG-CD1 3.61Å; Y323-F466 AromaticContact CG-CE1 3.77Å; Y323-F466 HydrophobicContact CG-CE1 3.77Å; S325-F466 VanDerWaalsContact O-CE2 3.31Å; S325-F466 WeakPolarHBondContact O-CE2 3.35Å; D326-F466 HydrophobicContact CB-CB 4.3Å; D326-F466 HydrophobicContact CB-CD2 3.85Å; D326-F466 HydrophobicContact CB-CE2 4.35Å; D326-F466 HydrophobicContact CB-CG 4.01Å; L454-F466 HydrophobicContact CB-CE1 4.34Å; L454-F466 HydrophobicContact CB-CZ 3.99Å; L454-F466 HydrophobicContact CD1-CD1 4.23Å; L454-F466 HydrophobicContact CD1-CE1 3.51Å; L454-F466 HydrophobicContact CD1-CZ 4.03Å; L462-F466 HydrophobicContact CB-CD2 3.96Å; L462-F466 HydrophobicContact CB-CE2 3.94Å; L462-F466 HydrophobicContact CD1-CE2 4.49Å; L462-F466 HydrophobicContact CD2-CE2 4.04Å; L462-F466 HydrophobicContact CG-CE2 4.37Å; L462-F466 WeakPolarHBondContact O-CB 3.28Å; L462-F466 WeakPolarHBondContact O-CD2 3.18Å; L462-F466 PolarHBondContact O-N 3.25Å; F466-A468 PolarHBondContact O-N 2.95Å; F466-S469 PolarHBondContact O-N 2.92Å; F466-S469 VanDerWaalsContact O-N 3.13Å; F466-Y470 HydrophobicContact CB-CE2 4.14Å; F466-Y470 WeakPolarHBondContact O-CD2 3.14Å; F466-Y470 WeakPolarHBondContact O-CE2 3.5Å; F466-Y470 PolarHBondContact O-N 2.95Å
467H90.1Very high87.7Confident17 Ų1737.4 Ų37.48%0.07921%0.211CC..Hα-helixtrans-55.2-53.1175.6-177.4-99.6000111.6H22 N25 D40 D153 P463 H464 S469 Y470 W471H22-H467 AromaticContact CE1-CE1 3.76Å; H22-H467 AromaticContact CE1-NE2 3.96Å; H22-H467 AromaticContact NE2-CE1 3.73Å; N25-H467 HydrophobicContact CB-CB 3.93Å; D40-H467 IonicContact OD2-CE1 3.51Å; D40-H467 PolarHBondContact OD2-CE1 2.9Å; D40-H467 IonicContact OD2-ND1 3.73Å; D153-H467 IonicContact OD2-CD2 3.13Å; D153-H467 IonicContact OD2-CE1 3.7Å; D153-H467 IonicContact OD2-NE2 2.82Å; D153-H467 PolarHBondContact OD2-NE2 3.22Å; P463-H467 WeakPolarHBondContact O-CB 3.26Å; P463-H467 PolarHBondContact O-N 2.79Å; H464-H467 PolarHBondContact O-N 3.34Å; H467-S469 VanDerWaalsContact C-N 3.34Å; H467-S469 PolarHBondContact O-N 2.98Å; H467-Y470 PolarHBondContact O-N 3.17Å; H467-W471 AromaticContact CE1-NE1 3.39Å; H467-W471 PolarHBondContact CE1-NE1 2.98Å; H467-W471 AromaticContact ND1-NE1 3.74Å; H467-W471 AromaticContact NE2-NE1 3.72Å; H467-W471 VanDerWaalsContact O-CD1 3.27Å
468A89.8Confident88.5Confident39 Ų3932.8 Ų32.832%0.32219%0.191SC..Hα-helixtrans-58.4-43.7173.600000112.4H464 F466 Y470 W471 E472H464-A468 PolarHBondContact O-N 2.77Å; H464-A468 VanDerWaalsContact O-N 3.09Å; F466-A468 PolarHBondContact O-N 2.95Å; A468-Y470 VanDerWaalsContact C-N 3.26Å; A468-Y470 PolarHBondContact O-N 3.07Å; A468-W471 PolarHBondContact O-N 3.47Å; A468-E472 PolarHBondContact O-N 2.72Å
469S91.8Very high89.2Confident32 Ų3229.4 Ų29.422%0.22417%0.168CC..Hα-helixtrans-62.7-25.6-179.8-175.40000114Y323 L465 F466 H467 S473Y323-S469 PolarHBondContact OH-O 3.24Å; Y323-S469 PolarHBondContact OH-OG 3.32Å; L465-S469 VanDerWaalsContact O-CB 3.26Å; L465-S469 WeakPolarHBondContact O-CB 3.45Å; L465-S469 PolarHBondContact O-N 2.8Å; L465-S469 VanDerWaalsContact O-N 3.08Å; F466-S469 PolarHBondContact O-N 2.92Å; F466-S469 VanDerWaalsContact O-N 3.13Å; H467-S469 VanDerWaalsContact C-N 3.34Å; H467-S469 PolarHBondContact O-N 2.98Å; S469-S473 WeakPolarHBondContact O-CB 3.42Å; S469-S473 PolarHBondContact O-N 3.46Å
470Y93.7Very high90Very high5 Ų525.8 Ų25.82%0.0215%0.146CC..Hα-helixtrans-68-38.6176.3-71.1-70.9000111.6L288 G289 F322 Y323 D326 L448 F466 H467 A468 V476L288-Y470 HydrophobicContact CB-CD1 4.06Å; L288-Y470 HydrophobicContact CB-CD2 4.47Å; L288-Y470 HydrophobicContact CB-CG 4.02Å; G289-Y470 VanDerWaalsContact CA-CZ 3.41Å; G289-Y470 VanDerWaalsContact CA-OH 3.23Å; G289-Y470 WeakPolarHBondContact CA-OH 3.33Å; F322-Y470 WeakPolarHBondContact CA-OH 3.39Å; Y323-Y470 HydrophobicContact CD2-CD1 4.14Å; Y323-Y470 AromaticContact CD2-CE1 3.49Å; Y323-Y470 HydrophobicContact CD2-CE1 3.49Å; Y323-Y470 VanDerWaalsContact CD2-CE1 3.49Å; Y323-Y470 HydrophobicContact CD2-CE2 4.12Å; Y323-Y470 AromaticContact CD2-CZ 3.46Å; Y323-Y470 VanDerWaalsContact CD2-CZ 3.46Å; Y323-Y470 AromaticContact CE2-CD1 3.68Å; Y323-Y470 HydrophobicContact CE2-CD1 3.68Å; Y323-Y470 AromaticContact CE2-CE1 3.53Å; Y323-Y470 HydrophobicContact CE2-CE1 3.53Å; Y323-Y470 HydrophobicContact CE2-CE2 4.36Å; Y323-Y470 HydrophobicContact CE2-CG 4.16Å; Y323-Y470 AromaticContact CE2-CZ 3.87Å; Y323-Y470 PolarHBondContact N-OH 3.47Å; Y323-Y470 VanDerWaalsContact N-OH 3.1Å; D326-Y470 WeakPolarHBondContact OD2-CE2 3.3Å; D326-Y470 PolarHBondContact OD2-OH 2.92Å; L448-Y470 HydrophobicContact CD1-CD1 3.81Å; L448-Y470 HydrophobicContact CD1-CE1 3.65Å; F466-Y470 HydrophobicContact CB-CE2 4.14Å; F466-Y470 WeakPolarHBondContact O-CD2 3.14Å; F466-Y470 WeakPolarHBondContact O-CE2 3.5Å; F466-Y470 PolarHBondContact O-N 2.95Å; H467-Y470 PolarHBondContact O-N 3.17Å; A468-Y470 VanDerWaalsContact C-N 3.26Å; A468-Y470 PolarHBondContact O-N 3.07Å; Y470-V476 HydrophobicContact CD1-CG2 4.45Å
471W94Very high90.6Very high2 Ų224.1 Ų24.11%0.00814%0.136CC..Hα-helixtrans-72.6-36.6179.3-50.3124.1000112.7V20 H22 D40 L44 M151 D153 L288 H467 A468 S473V20-W471 HydrophobicContact CG1-CH2 3.65Å; V20-W471 HydrophobicContact CG1-CZ3 3.7Å; H22-W471 AromaticContact CD2-CH2 3.93Å; H22-W471 AromaticContact CD2-CZ2 3.37Å; H22-W471 WeakPolarHBondContact CD2-CZ2 3.2Å; H22-W471 AromaticContact NE2-CZ2 3.63Å; D40-W471 HydrophobicContact CB-CD2 4.15Å; D40-W471 HydrophobicContact CB-CG 3.99Å; D40-W471 VanDerWaalsContact CG-CD1 3.45Å; D40-W471 PolarHBondContact OD2-NE1 3.47Å; L44-W471 HydrophobicContact CB-CE3 4.07Å; L44-W471 HydrophobicContact CD2-CE3 3.92Å; L44-W471 HydrophobicContact CD2-CZ3 3.94Å; L44-W471 HydrophobicContact CG-CE3 4.4Å; M151-W471 HydrophobicContact SD-CZ3 4.33Å; D153-W471 HydrophobicContact CB-CH2 3.72Å; D153-W471 HydrophobicContact CB-CZ2 3.53Å; L288-W471 HydrophobicContact CD1-CE3 4.4Å; L288-W471 HydrophobicContact CD1-CZ3 4.08Å; H467-W471 AromaticContact CE1-NE1 3.39Å; H467-W471 PolarHBondContact CE1-NE1 2.98Å; H467-W471 AromaticContact ND1-NE1 3.74Å; H467-W471 AromaticContact NE2-NE1 3.72Å; H467-W471 VanDerWaalsContact O-CD1 3.27Å; A468-W471 PolarHBondContact O-N 3.47Å; W471-S473 VanDerWaalsContact C-N 3.33Å
472E93.1Very high91Very high127 Ų12723.7 Ų23.759%0.59313%0.128SC*.Hα-helixtrans-78.6-13.3177.6-66.1-174.917700113.9T43 A468 T474T43-E472 HydrophobicContact CG2-CG 3.83Å; A468-E472 PolarHBondContact O-N 2.72Å; E472-T474 PolarHBondContact O-N 3.42Å
473S93.6Very high91.1Very high14 Ų1423.6 Ų23.610%0.09813%0.127CC..  trans-74.8109.4-167.4-179.90000113.8S469 W471 D475 V476 A477S469-S473 WeakPolarHBondContact O-CB 3.42Å; S469-S473 PolarHBondContact O-N 3.46Å; W471-S473 VanDerWaalsContact C-N 3.33Å; S473-D475 PolarHBondContact O-N 3.04Å; S473-D475 PolarHBondContact OG-N 2.99Å; S473-V476 PolarHBondContact O-N 2.9Å; S473-V476 VanDerWaalsContact O-N 3.11Å; S473-V476 PolarHBondContact OG-N 3.29Å; S473-A477 PolarHBondContact O-N 3.02Å
474T93.3Very high91Very high53 Ų5323.7 Ų23.733%0.32513%0.127SC..Hα-helixtrans-59.3-25.1167.759.70000113.5V47 V51 Y351 E472 A478V47-T474 HydrophobicContact CG1-CG2 3.92Å; V51-T474 HydrophobicContact CG2-CG2 4.33Å; Y351-T474 HydrophobicContact CD1-CG2 4.24Å; Y351-T474 WeakPolarHBondContact CD1-OG1 3.44Å; Y351-T474 HydrophobicContact CE1-CG2 4.41Å; E472-T474 PolarHBondContact O-N 3.42Å; T474-A478 WeakPolarHBondContact O-CB 3.38Å; T474-A478 PolarHBondContact O-N 3.08Å
475D93.3Very high90.6Very high18 Ų1822.2 Ų22.210%0.09612%0.121CC..Hα-helixtrans-71-39.3175.6-73.9-0.2000111R350 Y351 L448 S473 F479R350-D475 WeakPolarHBondContact CA-OD1 3.34Å; Y351-D475 VanDerWaalsContact CB-OD1 3.3Å; Y351-D475 WeakPolarHBondContact CB-OD1 3.48Å; Y351-D475 PolarHBondContact N-OD1 3.24Å; L448-D475 HydrophobicContact CD2-CB 4.14Å; S473-D475 PolarHBondContact O-N 3.04Å; S473-D475 PolarHBondContact OG-N 2.99Å; D475-F479 VanDerWaalsContact O-CB 3.32Å; D475-F479 WeakPolarHBondContact O-CB 3.5Å; D475-F479 PolarHBondContact O-N 2.94Å
476V94.6Very high89.3Confident0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-67.6-52.2173.7172.70000110.2L288 L321 L448 Y470 S473 A478 F479 V480L288-V476 HydrophobicContact CD1-CG1 4.48Å; L288-V476 HydrophobicContact CD2-CG1 4.05Å; L321-V476 HydrophobicContact CD2-CG1 4.29Å; L321-V476 HydrophobicContact CD2-CG2 4.13Å; L448-V476 HydrophobicContact CD1-CG2 3.56Å; L448-V476 HydrophobicContact CD2-CG2 3.85Å; L448-V476 HydrophobicContact CG-CG2 4.36Å; Y470-V476 HydrophobicContact CD1-CG2 4.45Å; S473-V476 PolarHBondContact O-N 2.9Å; S473-V476 VanDerWaalsContact O-N 3.11Å; S473-V476 PolarHBondContact OG-N 3.29Å; V476-A478 PolarHBondContact O-N 2.77Å; V476-F479 WeakPolarHBondContact O-CA 3.23Å; V476-F479 WeakPolarHBondContact O-CB 3.21Å; V476-F479 PolarHBondContact O-N 3.22Å; V476-V480 HydrophobicContact CG1-CG2 4.29Å; V476-V480 WeakPolarHBondContact O-CG2 3.46Å; V476-V480 PolarHBondContact O-N 3.41Å
477A93.3Very high86.9Confident0 Ų031 Ų310%016%0.162CC..Hα-helixtrans-55.6-48179.500000112.1V47 L48 V51 S473 F479 V480 L481V47-A477 HydrophobicContact CG1-CB 3.73Å; L48-A477 HydrophobicContact CD2-CB 3.72Å; L48-A477 HydrophobicContact CG-CB 3.96Å; V51-A477 HydrophobicContact CG2-CB 4.26Å; S473-A477 PolarHBondContact O-N 3.02Å; A477-F479 VanDerWaalsContact C-N 3.33Å; A477-F479 PolarHBondContact O-N 3.24Å; A477-V480 PolarHBondContact O-N 2.88Å; A477-L481 WeakPolarHBondContact O-CG 3.33Å; A477-L481 PolarHBondContact O-N 3.47Å
478A91.1Very high84.1Confident0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-66.8-31.5176.500000112.9V51 Y351 T474 V476 R482V51-A478 HydrophobicContact CG1-CB 4.08Å; Y351-A478 HydrophobicContact CD2-CB 3.61Å; Y351-A478 HydrophobicContact CE2-CB 4.39Å; Y351-A478 HydrophobicContact CG-CB 4.28Å; T474-A478 WeakPolarHBondContact O-CB 3.38Å; T474-A478 PolarHBondContact O-N 3.08Å; V476-A478 PolarHBondContact O-N 2.77Å; A478-R482 WeakPolarHBondContact O-CG 3.38Å; A478-R482 PolarHBondContact O-N 3.4Å; A478-R482 PolarHBondContact O-NE 3.08Å; A478-R482 VanDerWaalsContact O-NE 3.15Å
479F93.8Very high81.3Confident3 Ų338.3 Ų38.31%0.01320%0.204CC..Hα-helixtrans-66.6-47.7173.9-179-87.6000112.1F286 F319 L321 V348 L362 F446 D475 V476 A477 R482 Q483F286-F479 HydrophobicContact CE1-CD1 4.43Å; F286-F479 HydrophobicContact CE1-CE1 4.21Å; F319-F479 HydrophobicContact CB-CE1 4.2Å; F319-F479 AromaticContact CD1-CE1 3.76Å; F319-F479 HydrophobicContact CD1-CE1 3.76Å; F319-F479 AromaticContact CD1-CZ 3.68Å; F319-F479 HydrophobicContact CD1-CZ 3.68Å; F319-F479 HydrophobicContact CE1-CE1 4.32Å; F319-F479 HydrophobicContact CE1-CZ 4.08Å; F319-F479 HydrophobicContact CG-CE1 4.05Å; F319-F479 HydrophobicContact CG-CZ 4.42Å; L321-F479 HydrophobicContact CD1-CD1 4.22Å; L321-F479 HydrophobicContact CD1-CE1 4.1Å; L321-F479 HydrophobicContact CD2-CB 4.39Å; L321-F479 HydrophobicContact CD2-CD1 3.83Å; L321-F479 HydrophobicContact CD2-CE1 4.42Å; L321-F479 HydrophobicContact CD2-CG 4.19Å; L321-F479 HydrophobicContact CG-CD1 4.41Å; V348-F479 HydrophobicContact CG1-CB 4.26Å; V348-F479 HydrophobicContact CG1-CD2 4.19Å; V348-F479 HydrophobicContact CG2-CD2 4.39Å; L362-F479 HydrophobicContact CD1-CE2 4.33Å; F446-F479 AromaticContact CD1-CE2 3.51Å; F446-F479 HydrophobicContact CD1-CE2 3.51Å; F446-F479 AromaticContact CD1-CZ 3.66Å; F446-F479 HydrophobicContact CD1-CZ 3.66Å; F446-F479 HydrophobicContact CD2-CZ 4.12Å; F446-F479 AromaticContact CE1-CE2 3.56Å; F446-F479 HydrophobicContact CE1-CE2 3.56Å; F446-F479 AromaticContact CE1-CZ 3.58Å; F446-F479 HydrophobicContact CE1-CZ 3.58Å; F446-F479 HydrophobicContact CE2-CZ 4.07Å; F446-F479 HydrophobicContact CG-CE2 4.17Å; F446-F479 AromaticContact CG-CZ 3.94Å; F446-F479 HydrophobicContact CG-CZ 3.94Å; F446-F479 HydrophobicContact CZ-CE2 4.26Å; F446-F479 AromaticContact CZ-CZ 3.81Å; F446-F479 HydrophobicContact CZ-CZ 3.81Å; D475-F479 VanDerWaalsContact O-CB 3.32Å; D475-F479 WeakPolarHBondContact O-CB 3.5Å; D475-F479 PolarHBondContact O-N 2.94Å; V476-F479 WeakPolarHBondContact O-CA 3.23Å; V476-F479 WeakPolarHBondContact O-CB 3.21Å; V476-F479 PolarHBondContact O-N 3.22Å; A477-F479 VanDerWaalsContact C-N 3.33Å; A477-F479 PolarHBondContact O-N 3.24Å; F479-R482 VanDerWaalsContact CA-NH2 3.29Å; F479-R482 PolarHBondContact O-N 3.08Å; F479-Q483 HydrophobicContact CD1-CG 4.39Å; F479-Q483 HydrophobicContact CE1-CG 3.92Å; F479-Q483 HydrophobicContact CZ-CG 4.21Å; F479-Q483 PolarHBondContact O-N 2.92Å
480V92.9Very high78.3Confident0 Ų045.1 Ų45.10%023%0.234CC..Hα-helixtrans-59.7-52.3179.1172.40000109.8M151 F286 V476 A477 R482 Q483 L484M151-V480 HydrophobicContact CE-CB 4.45Å; M151-V480 HydrophobicContact CE-CG1 4.09Å; M151-V480 HydrophobicContact CE-CG2 3.56Å; F286-V480 HydrophobicContact CD1-CG2 3.98Å; F286-V480 HydrophobicContact CE1-CG2 4.08Å; F286-V480 HydrophobicContact CE2-CG1 4.32Å; F286-V480 HydrophobicContact CG-CG2 4.36Å; F286-V480 HydrophobicContact CZ-CG1 4.24Å; V476-V480 HydrophobicContact CG1-CG2 4.29Å; V476-V480 WeakPolarHBondContact O-CG2 3.46Å; V476-V480 PolarHBondContact O-N 3.41Å; A477-V480 PolarHBondContact O-N 2.88Å; V480-R482 VanDerWaalsContact C-N 3.28Å; V480-R482 PolarHBondContact O-N 3.04Å; V480-Q483 PolarHBondContact O-N 3.03Å; V480-L484 HydrophobicContact CG1-CD1 3.66Å; V480-L484 HydrophobicContact CG1-CG 3.93Å; V480-L484 WeakPolarHBondContact O-CG 3.39Å; V480-L484 PolarHBondContact O-N 3.14Å
481L90.5Very high75Confident3 Ų356.5 Ų56.52%0.01628%0.277CS..Hα-helixtrans-55.1-40178.3-71.5165.7000113.2L48 V51 T52 F56 A477 Q483 L484 M485L48-L481 HydrophobicContact CD2-CD1 3.84Å; L48-L481 HydrophobicContact CD2-CD2 4.07Å; L48-L481 HydrophobicContact CD2-CG 3.62Å; V51-L481 HydrophobicContact CB-CD1 4.01Å; V51-L481 HydrophobicContact CG1-CD1 3.59Å; T52-L481 WeakPolarHBondContact OG1-CD1 3.31Å; T52-L481 WeakPolarHBondContact OG1-CD2 3.35Å; F56-L481 HydrophobicContact CD2-CB 4.28Å; F56-L481 HydrophobicContact CD2-CD1 3.99Å; F56-L481 HydrophobicContact CE2-CB 4.18Å; F56-L481 HydrophobicContact CE2-CD1 4.25Å; F56-L481 HydrophobicContact CZ-CB 4.3Å; A477-L481 WeakPolarHBondContact O-CG 3.33Å; A477-L481 PolarHBondContact O-N 3.47Å; L481-Q483 VanDerWaalsContact C-N 3.31Å; L481-Q483 PolarHBondContact O-N 3.48Å; L481-L484 PolarHBondContact O-N 3.32Å; L481-M485 WeakPolarHBondContact O-CB 3.24Å; L481-M485 WeakPolarHBondContact O-CG 3.29Å; L481-M485 PolarHBondContact O-N 3.01Å
482R88Confident71.8Confident21 Ų2162.9 Ų62.98%0.07932%0.317CS..Hα-helixtrans-63.9-31.4176.3-73.2178.4-56.9-116.85.8113.6F56 Y354 P355 L356 A478 F479 V480F56-R482 HydrophobicContact CE1-CG 4.09Å; F56-R482 HydrophobicContact CZ-CG 3.83Å; Y354-R482 PolarHBondContact O-NH1 3.28Å; P355-R482 PolarHBondContact O-NH1 2.94Å; L356-R482 VanDerWaalsContact C-CD 3.41Å; L356-R482 WeakPolarHBondContact O-CD 3.45Å; A478-R482 WeakPolarHBondContact O-CG 3.38Å; A478-R482 PolarHBondContact O-N 3.4Å; A478-R482 PolarHBondContact O-NE 3.08Å; A478-R482 VanDerWaalsContact O-NE 3.15Å; F479-R482 VanDerWaalsContact CA-NH2 3.29Å; F479-R482 PolarHBondContact O-N 3.08Å; V480-R482 VanDerWaalsContact C-N 3.28Å; V480-R482 PolarHBondContact O-N 3.04Å
483Q88.2Confident68.8Low15 Ų1565.2 Ų65.27%0.0733%0.328CS..Hα-helixtrans-79.4-48.6174.3-55.4-41.4-59.300111F286 F319 F479 V480 L481 M485 R486F286-Q483 HydrophobicContact CE1-CB 4.25Å; F286-Q483 HydrophobicContact CE1-CG 4.17Å; F286-Q483 HydrophobicContact CZ-CB 4.03Å; F286-Q483 HydrophobicContact CZ-CG 4.44Å; F319-Q483 HydrophobicContact CE1-CG 3.86Å; F319-Q483 HydrophobicContact CE2-CB 4.26Å; F319-Q483 HydrophobicContact CE2-CG 4.02Å; F319-Q483 HydrophobicContact CZ-CB 4.1Å; F319-Q483 HydrophobicContact CZ-CG 3.56Å; F479-Q483 HydrophobicContact CD1-CG 4.39Å; F479-Q483 HydrophobicContact CE1-CG 3.92Å; F479-Q483 HydrophobicContact CZ-CG 4.21Å; F479-Q483 PolarHBondContact O-N 2.92Å; V480-Q483 PolarHBondContact O-N 3.03Å; L481-Q483 VanDerWaalsContact C-N 3.31Å; L481-Q483 PolarHBondContact O-N 3.48Å; Q483-M485 VanDerWaalsContact C-N 3.33Å; Q483-M485 PolarHBondContact O-N 3.1Å; Q483-R486 PolarHBondContact O-N 3.39Å; Q483-R486 VanDerWaalsContact O-N 3.1Å
484L84.3Confident65.8Low3 Ų373.8 Ų73.82%0.01637%0.366CS..Hα-helixtrans-58.5-43.3-177.6-63.2-174.7000112.4V16 V63 Q147 C149 F286 V480 L481 R486V16-L484 HydrophobicContact CG1-CD1 4.1Å; V16-L484 HydrophobicContact CG1-CD2 3.95Å; V16-L484 HydrophobicContact CG1-CG 4.4Å; V63-L484 HydrophobicContact CG1-CD1 4.09Å; Q147-L484 PolarHBondContact NE2-O 2.98Å; C149-L484 HydrophobicContact CB-CD2 4.13Å; C149-L484 WeakPolarHBondContact SG-CD2 3.4Å; F286-L484 HydrophobicContact CE2-CD2 4.02Å; F286-L484 HydrophobicContact CZ-CD2 4.21Å; V480-L484 HydrophobicContact CG1-CD1 3.66Å; V480-L484 HydrophobicContact CG1-CG 3.93Å; V480-L484 WeakPolarHBondContact O-CG 3.39Å; V480-L484 PolarHBondContact O-N 3.14Å; L481-L484 PolarHBondContact O-N 3.32Å; L484-R486 PolarHBondContact O-N 3.19Å
485M75Confident62.8Low51 Ų5175.6 Ų75.625%0.25139%0.387SS..THydrogen-bonded Turntrans-81.24.1-178.1-64.1-60.2103.400114.1V16 A59 V63 L481 Q483 C487V16-M485 HydrophobicContact CG2-CE 3.82Å; A59-M485 HydrophobicContact CB-CE 4.26Å; A59-M485 HydrophobicContact CB-CG 3.9Å; A59-M485 HydrophobicContact CB-SD 3.34Å; A59-M485 WeakPolarHBondContact CB-SD 3.29Å; V63-M485 HydrophobicContact CG2-CE 3.64Å; L481-M485 WeakPolarHBondContact O-CB 3.24Å; L481-M485 WeakPolarHBondContact O-CG 3.29Å; L481-M485 PolarHBondContact O-N 3.01Å; Q483-M485 VanDerWaalsContact C-N 3.33Å; Q483-M485 PolarHBondContact O-N 3.1Å; M485-C487 VanDerWaalsContact C-N 3.31Å; M485-C487 PolarHBondContact O-N 3.45Å
486R61.4Low59.6Low161 Ų16182.3 Ų82.361%0.60842%0.422SS*.THydrogen-bonded Turntrans43.154.3-179.7-63.9-175.8178.3176.11.2112.6Q483 L484 D488Q483-R486 PolarHBondContact O-N 3.39Å; Q483-R486 VanDerWaalsContact O-N 3.1Å; L484-R486 PolarHBondContact O-N 3.19Å; R486-D488 PolarHBondContact O-N 3.41Å
487C39Very low56.6Low88 Ų8894 Ų9460%0.59547%0.467SS*.  trans-71.742.6169.3-64.20000112.2M485M485-C487 VanDerWaalsContact C-N 3.31Å; M485-C487 PolarHBondContact O-N 3.45Å
488D32.5Very low53.8Low98 Ų98101 Ų10152%0.52450%0.503SS..  trans-79.6132.1167.5-71.1-46000107.9K442 R486 M490K442-D488 IonicContact NZ-OD1 3.35Å; K442-D488 IonicContact NZ-OD2 2.74Å; K442-D488 PolarHBondContact NZ-OD2 3.22Å; K442-D488 VanDerWaalsContact NZ-OD2 3.13Å; R486-D488 PolarHBondContact O-N 3.41Å; D488-M490 VanDerWaalsContact C-N 3.31Å; D488-M490 PolarHBondContact O-N 3.48Å
489C30.4Very low51Low111 Ų111108.1 Ų108.175%0.7554%0.541SS*.SBendtrans-7161.2-158.7-173.30000115.3
490M27.7Very low48.2Very low175 Ų175111.4 Ų111.486%0.86257%0.565SS**  trans-135.453.9-172.9-76.6-75.3106.600114.9D488D488-M490 VanDerWaalsContact C-N 3.31Å; D488-M490 PolarHBondContact O-N 3.48Å
491R25.3Very low45Very low243 Ų243115.8 Ų115.892%0.91760%0.601SS**  trans-165.768.9144.4-114.5173.8175.6-179.6-2.3112.7
492T27.1Very low42.3Very low137 Ų137121.4 Ų121.484%0.8464%0.637SS**  trans-116.568.3160-44.60000109
493Q30.7Very low39.8Very low176 Ų176128.2 Ų128.282%0.82267%0.668SS**  trans-132140165.4-105.6178.710.300108
494E29.2Very low37Very low194 Ų194130.9 Ų130.991%0.90769%0.688SS**SBendtrans78.539.9169.5-54-176.2160.700118
495A29.9Very low34.8Very low91 Ų91135.8 Ų135.875%0.75272%0.72SS**SBendtrans-148.7151.7140.100000109.6
496D27.4Very low32.6Very low159 Ų159137.6 Ų137.685%0.8574%0.738SS**  trans55.555.4178.5-67.6-3.9000117.3L498D496-L498 PolarHBondContact O-N 3.31Å; D496-L498 VanDerWaalsContact O-N 3.13Å
497R30.8Very low31.2Very low245 Ų245133.8 Ų133.893%0.92574%0.736SS**  trans-73.674.8142.5-82-172.8172.9175.30.6110.3
498L35.6Very low31.1Very low147 Ų147135.4 Ų135.477%0.7775%0.746SS**SBendtrans-166.2129.5145.2-128.272.5000110D496D496-L498 PolarHBondContact O-N 3.31Å; D496-L498 VanDerWaalsContact O-N 3.13Å
499D32.5Very low31.8Very low149 Ų149140.3 Ų140.380%0.79776%0.757SS**SBendtrans43.972.9163.2-60.8-21.6000119.5
500S33.1Very low33Very low73 Ų73138.9 Ų138.951%0.5174%0.739SS.*  164.999.8111.948.80000112.5R574S500-R574 PolarHBondContact OG-NH2 3.28Å
501A27.1Very low34.5Very low92 Ų92139 Ų13976%0.7674%0.735SS**  trans-57.4128.4-176.800000113
502P33.3Very low36.4Very low120 Ų120129.1 Ų129.178%0.77970%0.697SS**  trans-60.8145.7161.6-13.326.6000109.6S504P502-S504 PolarHBondContact O-N 3.01Å
503F35.8Very low38.3Very low164 Ų164127.1 Ų127.172%0.71968%0.681SS**  trans-6299.5-177.4-90.5-93.3000112.2L565F503-L565 HydrophobicContact CZ-CD2 4.4Å
504S29.9Very low40.2Very low71 Ų71124.9 Ų124.950%0.49767%0.665SS.*  trans-85.6134.2163.5-173.30000109.8P502 S506P502-S504 PolarHBondContact O-N 3.01Å; S504-S506 WeakPolarHBondContact CB-OG 3.46Å; S504-S506 PolarHBondContact O-N 3.26Å; S504-S506 PolarHBondContact OG-OG 3.4Å
505P38.1Very low41.7Very low107 Ų107127.3 Ų127.370%0.69567%0.666SS**THydrogen-bonded Turntrans-64.74.2176.5-22.233.7000115.5R613P505-R613 PolarHBondContact O-NH2 3.33Å
506S27.9Very low43.2Very low89 Ų89132.8 Ų132.862%0.62267%0.667SS**THydrogen-bonded Turntrans-93.3-11.2-166.758.10000115.5S504S504-S506 WeakPolarHBondContact CB-OG 3.46Å; S504-S506 PolarHBondContact O-N 3.26Å; S504-S506 PolarHBondContact OG-OG 3.4Å
507S32.4Very low44.9Very low81 Ų81125.9 Ų125.957%0.56663%0.631SS**SBendtrans-54.5153.217761.30000112.7R613S507-R613 PolarHBondContact O-NH1 3.41Å; S507-R613 PolarHBondContact O-NH2 2.94Å
508P36.3Very low46.3Very low122 Ų122117.9 Ų117.979%0.79260%0.604SS**  trans-63155.7-164.918.3-30.2000116.8E510 R613P508-E510 PolarHBondContact O-N 2.99Å; P508-R613 PolarHBondContact O-NH1 3.49Å
509R47.7Very low47.3Very low201 Ų201116.2 Ų116.276%0.75860%0.599SS**  trans-77.8100.3-167.1-81.885.6-153.5-77.76.1113.3R613R509-R613 VanDerWaalsContact N-NH1 3.11Å; R509-R613 VanDerWaalsContact NE-NH1 3.18Å
510E55.5Low48.7Very low80 Ų80115.8 Ų115.837%0.37459%0.59SS.*PPolyproline II helixtrans-82138.2170.1-153.2171.6-173.100112.7P508 K561 R613P508-E510 PolarHBondContact O-N 2.99Å; E510-K561 IonicContact OE1-NZ 3.65Å; E510-K561 PolarHBondContact OE1-NZ 3.38Å; E510-K561 IonicContact OE2-NZ 2.72Å; E510-R613 PolarHBondContact O-N 2.89Å
511K59.2Low50.4Low179 Ų179113.3 Ų113.378%0.77857%0.571SS**PPolyproline II helixtrans-97155.1-173.6-65.5176.7-179.51740111.5L513K511-L513 PolarHBondContact O-N 2.89Å
512W65.8Low51.9Low34 Ų34118.8 Ų118.813%0.12957%0.572CS.*PPolyproline II helixtrans-51.7132.8169.2-70.395.4000110.5R514 T517 H518 L521 L557 E560 I612W512-R514 VanDerWaalsContact C-N 3.3Å; W512-R514 PolarHBondContact O-N 3.5Å; W512-T517 HydrophobicContact CD2-CG2 4.32Å; W512-T517 HydrophobicContact CE3-CG2 3.44Å; W512-T517 VanDerWaalsContact CE3-CG2 3.44Å; W512-T517 HydrophobicContact CH2-CG2 4.17Å; W512-T517 HydrophobicContact CZ3-CG2 3.36Å; W512-H518 HydrophobicContact CG-CB 4.49Å; W512-H518 AromaticContact NE1-CD2 3.9Å; W512-L521 HydrophobicContact CH2-CD1 3.48Å; W512-L521 VanDerWaalsContact CH2-CD1 3.48Å; W512-L521 HydrophobicContact CZ2-CD1 4.21Å; W512-L521 HydrophobicContact CZ3-CD1 3.93Å; W512-L557 HydrophobicContact CZ3-CD1 3.98Å; W512-E560 HydrophobicContact CE3-CG 4.1Å; W512-E560 HydrophobicContact CZ3-CG 4.16Å; W512-I612 HydrophobicContact CB-CG2 4.19Å; W512-I612 HydrophobicContact CD2-CB 4.28Å; W512-I612 HydrophobicContact CD2-CD1 3.92Å; W512-I612 HydrophobicContact CD2-CG2 3.51Å; W512-I612 HydrophobicContact CE3-CB 4.36Å; W512-I612 HydrophobicContact CE3-CD1 3.27Å; W512-I612 HydrophobicContact CE3-CG1 4.34Å; W512-I612 HydrophobicContact CE3-CG2 4.03Å; W512-I612 HydrophobicContact CG-CG2 3.57Å; W512-I612 HydrophobicContact CH2-CD1 4.35Å; W512-I612 HydrophobicContact CZ2-CG2 4.27Å; W512-I612 HydrophobicContact CZ3-CB 4.47Å; W512-I612 HydrophobicContact CZ3-CD1 3.5Å
513L66.8Low53Low95 Ų95120.2 Ų120.250%0.49757%0.573SS.*SBendtrans-68.1-35.4179-67.5179.1000110.6K511 E560 K561K511-L513 PolarHBondContact O-N 2.89Å; L513-E560 WeakPolarHBondContact CB-OE2 3.39Å; L513-E560 PolarHBondContact N-OE2 3.17Å; L513-K561 HydrophobicContact CD1-CD 4.31Å; L513-K561 HydrophobicContact CD1-CG 3.99Å
514R69.4Low54.4Low130 Ų130114.6 Ų114.649%0.49155%0.552SS.*SBendtrans-108.7117.8175.5-69.6166165.5-162.7-7.6111.6W512 R516 T517 T558 E560W512-R514 VanDerWaalsContact C-N 3.3Å; W512-R514 PolarHBondContact O-N 3.5Å; R514-R516 PolarHBondContact O-N 3.21Å; R514-T517 WeakPolarHBondContact CB-OG1 3.49Å; R514-T517 WeakPolarHBondContact O-CB 3.42Å; R514-T517 PolarHBondContact O-N 3.39Å; R514-T517 PolarHBondContact O-OG1 2.84Å; R514-T558 VanDerWaalsContact CD-O 3.22Å; R514-T558 WeakPolarHBondContact CD-O 3.42Å; R514-T558 PolarHBondContact NH1-O 2.87Å; R514-T558 PolarHBondContact NH1-OG1 2.72Å; R514-E560 WeakPolarHBondContact CB-OE1 3.49Å; R514-E560 PolarHBondContact N-OE1 3.19Å
515R60.7Low56.3Low245 Ų245114.7 Ų114.793%0.92555%0.55SS*.THydrogen-bonded Turntrans-52-29.7179.1-63-175.6-176.9-176.11.3114.3
516R62.4Low58.2Low206 Ų206111.2 Ų111.278%0.77753%0.53SS*.THydrogen-bonded Turntrans-82.8-15.1-179.3-65.4-176.7-178.4172.40.6114.1R514 V519 K520R514-R516 PolarHBondContact O-N 3.21Å; R516-V519 PolarHBondContact O-N 3.28Å; R516-K520 PolarHBondContact O-N 2.9Å
517T63.1Low60.6Low14 Ų14108 Ų1089%0.08651%0.506CS..Hα-helixtrans-65.8-45.6-175.3-52.40000111.8W512 R514 V519 K520 L521 L557 E560W512-T517 HydrophobicContact CD2-CG2 4.32Å; W512-T517 HydrophobicContact CE3-CG2 3.44Å; W512-T517 VanDerWaalsContact CE3-CG2 3.44Å; W512-T517 HydrophobicContact CH2-CG2 4.17Å; W512-T517 HydrophobicContact CZ3-CG2 3.36Å; R514-T517 WeakPolarHBondContact CB-OG1 3.49Å; R514-T517 WeakPolarHBondContact O-CB 3.42Å; R514-T517 PolarHBondContact O-N 3.39Å; R514-T517 PolarHBondContact O-OG1 2.84Å; T517-V519 PolarHBondContact O-N 2.9Å; T517-V519 VanDerWaalsContact O-N 3.15Å; T517-K520 PolarHBondContact O-N 2.79Å; T517-L521 HydrophobicContact CG2-CD1 3.69Å; T517-L521 HydrophobicContact CG2-CG 4.21Å; T517-L521 WeakPolarHBondContact O-CG 3.37Å; T517-L521 PolarHBondContact O-N 3.45Å; T517-L557 HydrophobicContact CG2-CD1 4.09Å; T517-E560 VanDerWaalsContact CB-OE1 3.29Å; T517-E560 WeakPolarHBondContact CB-OE1 3.22Å; T517-E560 HydrophobicContact CG2-CG 4.16Å; T517-E560 PolarHBondContact OG1-OE1 3.24Å
518H59.3Low63.1Low76 Ų76104.8 Ų104.835%0.35248%0.482SS..Hα-helixtrans-53.3-36.1175177.9-91.2000113.5W512W512-H518 HydrophobicContact CG-CB 4.49Å; W512-H518 AromaticContact NE1-CD2 3.9Å
519V58.3Low65.4Low112 Ų11299.4 Ų99.468%0.67945%0.446SS*.Hα-helixtrans-72.4-38.6179-176.10000111.3R516 T517 L521R516-V519 PolarHBondContact O-N 3.28Å; T517-V519 PolarHBondContact O-N 2.9Å; T517-V519 VanDerWaalsContact O-N 3.15Å; V519-L521 VanDerWaalsContact C-N 3.35Å; V519-L521 PolarHBondContact O-N 2.87Å
520K61.5Low67.3Low140 Ų14090 Ų9061%0.60941%0.411SS*.Hα-helixtrans-70.2-27179.9-70.7-172.1172.7-167.60114.1R516 T517 V524 V555R516-K520 PolarHBondContact O-N 2.9Å; T517-K520 PolarHBondContact O-N 2.79Å; K520-V524 WeakPolarHBondContact O-CG2 3.21Å; K520-V555 HydrophobicContact CB-CG1 4.38Å
521L68.6Low68.5Low21 Ų2188.2 Ų88.211%0.1140%0.404CS..Hα-helixtrans-98.7-7.4-171.9-60.3-177.5000114.5W512 T517 V519 N523 V524 Y549 V555 L557W512-L521 HydrophobicContact CH2-CD1 3.48Å; W512-L521 VanDerWaalsContact CH2-CD1 3.48Å; W512-L521 HydrophobicContact CZ2-CD1 4.21Å; W512-L521 HydrophobicContact CZ3-CD1 3.93Å; T517-L521 HydrophobicContact CG2-CD1 3.69Å; T517-L521 HydrophobicContact CG2-CG 4.21Å; T517-L521 WeakPolarHBondContact O-CG 3.37Å; T517-L521 PolarHBondContact O-N 3.45Å; V519-L521 VanDerWaalsContact C-N 3.35Å; V519-L521 PolarHBondContact O-N 2.87Å; L521-N523 PolarHBondContact O-N 3.44Å; L521-V524 PolarHBondContact O-N 2.94Å; L521-Y549 HydrophobicContact CD1-CD2 4.2Å; L521-Y549 HydrophobicContact CD1-CE1 4.34Å; L521-Y549 HydrophobicContact CD1-CE2 3.67Å; L521-Y549 HydrophobicContact CD2-CD1 3.83Å; L521-Y549 HydrophobicContact CD2-CD2 3.41Å; L521-Y549 VanDerWaalsContact CD2-CD2 3.41Å; L521-Y549 HydrophobicContact CD2-CE1 4.17Å; L521-Y549 HydrophobicContact CD2-CE2 3.78Å; L521-Y549 HydrophobicContact CD2-CG 3.44Å; L521-Y549 VanDerWaalsContact CD2-CG 3.44Å; L521-Y549 HydrophobicContact CG-CD2 4.45Å; L521-Y549 HydrophobicContact CG-CE2 4.37Å; L521-V555 HydrophobicContact CD2-CG1 3.78Å; L521-L557 HydrophobicContact CD1-CD1 4.25Å
522R57Low69.8Low208 Ų20880.3 Ų80.379%0.78537%0.37SS*.THydrogen-bonded Turntrans-55.2-30.5-170.3-169.5176.7178.5-180-0.7114.9
523N58.3Low70.8Confident150 Ų15079.7 Ų79.780%0.80237%0.37SS*.THydrogen-bonded Turntrans-126.426.5-174.6-62.6-6000112.9L521L521-N523 PolarHBondContact O-N 3.44Å
524V65.3Low71.9Confident45 Ų4576 Ų7627%0.27335%0.35SS..  trans-130.7128.3-167.4-167.50000111.6K520 L521K520-V524 WeakPolarHBondContact O-CG2 3.21Å; L521-V524 PolarHBondContact O-N 2.94Å
525T69.2Low72.8Confident73 Ų7370 Ų7045%0.44833%0.329SS..  trans-76.6142.2179.949.40000112.3Y549 G550 F812T525-Y549 CarbonylContact O-C 3.6Å; T525-Y549 WeakPolarHBondContact O-CA 3.47Å; T525-G550 PolarHBondContact O-N 3.47Å; T525-F812 VanDerWaalsContact OG1-CZ 3.26Å; T525-F812 WeakPolarHBondContact OG1-CZ 3.36Å
526A77.6Confident74.2Confident34 Ų3458.6 Ų58.628%0.28129%0.287SS..EExtended strand (participates in β ladder)trans-76.2133.6178.300000112.4Y549 T618A526-Y549 HydrophobicContact CB-CD1 3.94Å; A526-Y549 HydrophobicContact CB-CE1 3.68Å; A526-T618 HydrophobicContact CB-CG2 3.35Å
527N78.9Confident75.1Confident21 Ų2153.4 Ų53.411%0.11227%0.271CS..EExtended strand (participates in β ladder)trans-124.556.1176.6-168.5-9.4000109.4R529 M548 D553N527-R529 PolarHBondContact ND2-NH2 2.89Å; N527-R529 PolarHBondContact OD1-NE 3.45Å; N527-R529 PolarHBondContact OD1-NH2 3.18Å; N527-M548 CarbonylContact C-O 3.55Å; N527-M548 WeakPolarHBondContact CA-O 3.45Å; N527-M548 PolarHBondContact N-O 3.07Å; N527-D553 PolarHBondContact ND2-OD1 2.88Å
528H85.3Confident76Confident14 Ų1457.7 Ų57.77%0.06529%0.293CS..EExtended strand (participates in β ladder)trans-81.2144.1-177-60.6-6.9000111.4F547 M548 Y549 V610 T618 A620H528-F547 HydrophobicContact CB-CD1 4.12Å; H528-F547 HydrophobicContact CB-CE1 4.38Å; H528-F547 AromaticContact CD2-CD1 3.47Å; H528-F547 VanDerWaalsContact CD2-CD1 3.47Å; H528-F547 WeakPolarHBondContact CD2-CD1 3.41Å; H528-F547 AromaticContact CG-CD1 3.68Å; H528-F547 AromaticContact NE2-CD1 3.83Å; H528-M548 PolarHBondContact CE1-O 3.33Å; H528-M548 VanDerWaalsContact CE1-O 3.25Å; H528-M548 PolarHBondContact ND1-N 3.18Å; H528-M548 PolarHBondContact ND1-O 3.43Å; H528-Y549 AromaticContact CE1-CD2 3.75Å; H528-Y549 AromaticContact CE1-CE2 3.38Å; H528-Y549 WeakPolarHBondContact CE1-CE2 3.49Å; H528-Y549 AromaticContact CE1-CZ 3.65Å; H528-Y549 AromaticContact NE2-CE2 3.88Å; H528-Y549 AromaticContact NE2-CZ 3.84Å; H528-V610 WeakPolarHBondContact NE2-CG2 3.46Å; H528-T618 PolarHBondContact CD2-OG1 3.27Å; H528-T618 PolarHBondContact NE2-OG1 2.81Å; H528-A620 HydrophobicContact CB-CB 3.83Å
529R84.4Confident77.2Confident10 Ų1054.8 Ų54.84%0.03828%0.284CS..EExtended strand (participates in β ladder)trans-137.1138.7-175.9-59.8171.3-157.813417.9110N527 G545 R546 D553 D681 M682N527-R529 PolarHBondContact ND2-NH2 2.89Å; N527-R529 PolarHBondContact OD1-NE 3.45Å; N527-R529 PolarHBondContact OD1-NH2 3.18Å; R529-G545 CarbonylContact O-C 3.58Å; R529-G545 VanDerWaalsContact O-CA 3.31Å; R529-G545 WeakPolarHBondContact O-CA 3.5Å; R529-R546 PolarHBondContact N-O 2.84Å; R529-R546 PolarHBondContact O-N 2.9Å; R529-D553 IonicContact CZ-OD1 3.48Å; R529-D553 IonicContact CZ-OD2 2.72Å; R529-D553 VanDerWaalsContact CZ-OD2 3.27Å; R529-D553 IonicContact NH1-OD1 4Å; R529-D553 IonicContact NH1-OD2 3.39Å; R529-D553 PolarHBondContact NH1-OD2 3.36Å; R529-D553 IonicContact NH2-OD1 3.52Å; R529-D553 PolarHBondContact NH2-OD1 3.5Å; R529-D553 IonicContact NH2-OD2 3.83Å; R529-D553 PolarHBondContact NH2-OD2 3.34Å; R529-D681 WeakPolarHBondContact CD-O 3.19Å; R529-D681 WeakPolarHBondContact CD-OD2 3.49Å; R529-D681 IonicContact CZ-OD2 3.22Å; R529-D681 PolarHBondContact NE-O 3.13Å; R529-D681 IonicContact NE-OD2 2.77Å; R529-D681 IonicContact NH1-OD1 2.73Å; R529-D681 PolarHBondContact NH1-OD1 3.27Å; R529-D681 IonicContact NH1-OD2 3.83Å; R529-D681 PolarHBondContact NH1-OD2 3.32Å; R529-M682 VanDerWaalsContact CZ-CB 3.49Å
530V86.3Confident78.5Confident2 Ų254.3 Ų54.31%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-127.4133.2162.1179.40000104.9M608 A620 A622 K684V530-M608 HydrophobicContact CG1-CE 4.28Å; V530-M608 HydrophobicContact CG1-SD 4.36Å; V530-M608 HydrophobicContact CG2-CB 4.12Å; V530-M608 HydrophobicContact CG2-CE 4.46Å; V530-M608 HydrophobicContact CG2-CG 3.92Å; V530-M608 HydrophobicContact CG2-SD 3.52Å; V530-M608 VanDerWaalsContact CG2-SD 3.52Å; V530-A620 HydrophobicContact CB-CB 4.32Å; V530-A620 HydrophobicContact CG2-CB 3.65Å; V530-A622 HydrophobicContact CB-CB 3.73Å; V530-A622 HydrophobicContact CG1-CB 3.46Å; V530-A622 VanDerWaalsContact CG1-CB 3.46Å; V530-K684 PolarHBondContact O-NZ 3.04Å
531N80.4Confident79.9Confident44 Ų4447.7 Ų47.724%0.23525%0.254CS..  trans-78.2146.9176.6-73.5-25.6000109.1V544N531-V544 PolarHBondContact N-O 3.29Å
532D86.3Confident80.9Confident12 Ų1248.5 Ų48.56%0.06426%0.261CS..  trans-67.9142170.8-55.1-13.6000107.2Y623 K684 M700 F702D532-Y623 CarbonylContact C-O 3.57Å; D532-Y623 WeakPolarHBondContact CA-O 3.44Å; D532-K684 IonicContact OD1-NZ 3.53Å; D532-K684 PolarHBondContact OD1-NZ 3.27Å; D532-M700 HydrophobicContact CB-SD 4.39Å; D532-F702 VanDerWaalsContact O-CE1 3.28Å; D532-F702 WeakPolarHBondContact O-CE1 3.24Å
533V87.9Confident82.5Confident22 Ų2238.7 Ų38.713%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-119.2131.7-173.3178.30000109T542 L543 Y623 L624 T625V533-T542 WeakPolarHBondContact CG1-O 3.49Å; V533-L543 HydrophobicContact CG2-CD2 4.11Å; V533-Y623 PolarHBondContact N-O 3.1Å; V533-L624 HydrophobicContact CB-CD1 3.8Å; V533-L624 HydrophobicContact CG1-CD1 3.6Å; V533-T625 PolarHBondContact O-N 3.25Å
534I89.4Confident84Confident16 Ų1633.5 Ų33.58%0.08220%0.197CC..EExtended strand (participates in β ladder)trans-108.5131.6167.3-64.1169.7000107.4T625 L627 L672 I674 M700 F702 L722 C726 I728I534-T625 WeakPolarHBondContact CA-O 3.48Å; I534-L627 HydrophobicContact CG2-CD1 3.36Å; I534-L627 HydrophobicContact CG2-CG 3.88Å; I534-L672 HydrophobicContact CD1-CD2 4.46Å; I534-I674 HydrophobicContact CD1-CD1 4.27Å; I534-M700 HydrophobicContact CD1-CB 4.18Å; I534-M700 HydrophobicContact CD1-CG 4.03Å; I534-M700 HydrophobicContact CG1-CG 4.14Å; I534-F702 HydrophobicContact CD1-CE2 3.87Å; I534-F702 HydrophobicContact CD1-CZ 3.59Å; I534-F702 HydrophobicContact CG1-CZ 3.97Å; I534-L722 HydrophobicContact CB-CD2 4.05Å; I534-L722 HydrophobicContact CD1-CD1 4.33Å; I534-L722 HydrophobicContact CD1-CD2 4.21Å; I534-L722 HydrophobicContact CG2-CD2 4.33Å; I534-C726 HydrophobicContact CG2-CB 4.34Å; I534-I728 HydrophobicContact CG2-CD1 3.88Å
535A89.5Confident85.1Confident4 Ų431.4 Ų31.43%0.03319%0.185CC..EExtended strand (participates in β ladder)trans-139.4166.1177.200000110.4Q541 L624 T625 V626 L627A535-Q541 HydrophobicContact CB-CG 3.81Å; A535-L624 HydrophobicContact CB-CD1 4.34Å; A535-T625 PolarHBondContact N-O 3.2Å; A535-V626 CarbonylContact O-C 3.6Å; A535-V626 WeakPolarHBondContact O-CA 3.3Å; A535-L627 PolarHBondContact O-N 3.48Å
536T88.2Confident86.1Confident7 Ų730.7 Ų30.74%0.04317%0.174CC..EExtended strand (participates in β ladder)trans-99.4161.4168.149.80000110.8D538 G539 C726T536-D538 PolarHBondContact O-N 3.24Å; T536-G539 PolarHBondContact O-N 2.79Å; T536-G539 WeakPolarHBondContact OG1-CA 3.41Å; T536-G539 PolarHBondContact OG1-N 2.84Å; T536-C726 HydrophobicContact CG2-CB 4.29Å
537E83.3Confident86.6Confident97 Ų9729 Ų2945%0.45316%0.161SC..SBendtrans-59.6-31.6175.7-174.1164.2-143.100112.5K598 L601 V626E537-K598 WeakPolarHBondContact O-CE 3.31Å; E537-K598 PolarHBondContact O-NZ 2.97Å; E537-L601 HydrophobicContact CB-CD2 4.15Å; E537-V626 HydrophobicContact CB-CG1 4.32Å
538D81.7Confident86.8Confident103 Ų10328.2 Ų28.255%0.55116%0.156SC*.SBendtrans-90.4-28.3177-60.5-52.3000113.9T536 K598 R629T536-D538 PolarHBondContact O-N 3.24Å; D538-K598 PolarHBondContact O-NZ 3Å; D538-R629 IonicContact OD2-CZ 3.29Å; D538-R629 VanDerWaalsContact OD2-CZ 3.29Å; D538-R629 IonicContact OD2-NE 3.05Å; D538-R629 PolarHBondContact OD2-NE 2.8Å; D538-R629 IonicContact OD2-NH2 3.98Å; D538-R629 PolarHBondContact OD2-NH2 2.91Å
539G83.3Confident86.6Confident15 Ų1527.6 Ų27.616%0.15515%0.153CC..SBendtrans-71.5173.5-176.100000115.2T536 K598T536-G539 PolarHBondContact O-N 2.79Å; T536-G539 WeakPolarHBondContact OG1-CA 3.41Å; T536-G539 PolarHBondContact OG1-N 2.84Å; G539-K598 WeakPolarHBondContact O-CE 3.31Å; G539-K598 PolarHBondContact O-NZ 2.97Å
540P86.3Confident85.9Confident102 Ų10227.1 Ų27.166%0.66215%0.152SC*.  trans-69.7133.6170.729.7-33.2000110.7T592P540-T592 HydrophobicContact CB-CG2 4.45Å
541Q90.6Very high84.8Confident1 Ų130.6 Ų30.61%0.00517%0.174CC..  trans-101.986.5175.9-69.6174.54.200108.6A535 I593 L599A535-Q541 HydrophobicContact CB-CG 3.81Å; Q541-I593 HydrophobicContact CB-CB 4.11Å; Q541-I593 HydrophobicContact CB-CD1 4.1Å; Q541-I593 HydrophobicContact CB-CG1 4.35Å; Q541-I593 PolarHBondContact O-N 3.32Å; Q541-L599 PolarHBondContact NE2-O 3.4Å
542T90.3Very high84Confident39 Ų3935 Ų3524%0.23920%0.197CC..EExtended strand (participates in β ladder)trans-106.6118.8-173.4-57.30000111.7V533 V544 T590 Y591 T592V533-T542 WeakPolarHBondContact CG1-O 3.49Å; T542-V544 HydrophobicContact CG2-CG2 4.35Å; T542-T590 HydrophobicContact CG2-CG2 3.55Å; T542-Y591 CarbonylContact C-O 3.36Å; T542-Y591 WeakPolarHBondContact CA-O 3.46Å; T542-T592 PolarHBondContact OG1-OG1 2.78Å
543L90.9Very high83.4Confident2 Ų235.4 Ų35.41%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-91.1132.5175.6-58.4174.5000110.1V533 I564 T590 Y591 V606 M608 L624V533-L543 HydrophobicContact CG2-CD2 4.11Å; L543-I564 HydrophobicContact CD1-CG2 3.86Å; L543-T590 WeakPolarHBondContact O-CA 3.4Å; L543-Y591 HydrophobicContact CD1-CD1 4.34Å; L543-Y591 PolarHBondContact N-O 2.86Å; L543-Y591 PolarHBondContact O-N 3.32Å; L543-V606 HydrophobicContact CD1-CG1 3.82Å; L543-V606 HydrophobicContact CD1-CG2 4.38Å; L543-V606 HydrophobicContact CD2-CG1 4.27Å; L543-V606 HydrophobicContact CD2-CG2 4Å; L543-M608 HydrophobicContact CB-CE 3.52Å; L543-M608 HydrophobicContact CD1-CE 4.2Å; L543-M608 HydrophobicContact CG-CE 4.47Å; L543-L624 HydrophobicContact CD2-CB 4.17Å; L543-L624 HydrophobicContact CD2-CD2 4.16Å
544V89.4Confident82.7Confident40 Ų4041.6 Ų41.624%0.24223%0.228CC..EExtended strand (participates in β ladder)trans-124.7121.2178.3-175.50000110.3N531 T542 I589 T590N531-V544 PolarHBondContact N-O 3.29Å; T542-V544 HydrophobicContact CG2-CG2 4.35Å; V544-I589 WeakPolarHBondContact CA-O 3.36Å; V544-T590 HydrophobicContact CG2-CG2 4.3Å
545G89.1Confident82.1Confident2 Ų242.4 Ų42.42%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-122.6152.5178.300000112.5R529 R588 I589R529-G545 CarbonylContact O-C 3.58Å; R529-G545 VanDerWaalsContact O-CA 3.31Å; R529-G545 WeakPolarHBondContact O-CA 3.5Å; G545-R588 CarbonylContact O-C 3.58Å; G545-R588 VanDerWaalsContact O-CA 3.27Å; G545-R588 WeakPolarHBondContact O-CA 3.37Å; G545-I589 PolarHBondContact N-O 3.04Å; G545-I589 PolarHBondContact O-N 3.14Å
546R89.1Confident81.9Confident57 Ų5744.6 Ų44.622%0.21525%0.247CC..EExtended strand (participates in β ladder)trans-133.8125.7173.9-165.7-177.2-178170-1.4110.7R529 M548 G587 R588R529-R546 PolarHBondContact N-O 2.84Å; R529-R546 PolarHBondContact O-N 2.9Å; R546-M548 HydrophobicContact CG-CG 3.95Å; R546-M548 HydrophobicContact CG-SD 4.01Å; R546-M548 PolarHBondContact NE-SD 3.12Å; R546-M548 VanDerWaalsContact NE-SD 3.45Å; R546-G587 CarbonylContact C-O 3.38Å; R546-G587 WeakPolarHBondContact CA-O 3.46Å; R546-R588 HydrophobicContact CB-CG 4.45Å; R546-R588 HydrophobicContact CG-CG 4.09Å
547F88.1Confident81.8Confident0 Ų044.3 Ų44.30%025%0.245CC..EExtended strand (participates in β ladder)trans-111.993-171.2-64.1-92.8000109.8H528 L557 V562 T583 G587 I589 M608 V610H528-F547 HydrophobicContact CB-CD1 4.12Å; H528-F547 HydrophobicContact CB-CE1 4.38Å; H528-F547 AromaticContact CD2-CD1 3.47Å; H528-F547 VanDerWaalsContact CD2-CD1 3.47Å; H528-F547 WeakPolarHBondContact CD2-CD1 3.41Å; H528-F547 AromaticContact CG-CD1 3.68Å; H528-F547 AromaticContact NE2-CD1 3.83Å; F547-L557 HydrophobicContact CB-CB 3.87Å; F547-L557 HydrophobicContact CB-CD2 3.71Å; F547-L557 HydrophobicContact CB-CG 4.36Å; F547-L557 HydrophobicContact CD1-CD2 4.49Å; F547-L557 HydrophobicContact CG-CD2 4.31Å; F547-L557 VanDerWaalsContact O-CB 3.23Å; F547-L557 WeakPolarHBondContact O-CB 3.49Å; F547-L557 PolarHBondContact O-N 3.18Å; F547-V562 HydrophobicContact CD1-CG2 4.22Å; F547-V562 HydrophobicContact CD2-CG2 4.33Å; F547-V562 HydrophobicContact CE1-CG1 3.88Å; F547-V562 HydrophobicContact CE1-CG2 4.15Å; F547-V562 HydrophobicContact CE2-CG1 4.22Å; F547-V562 HydrophobicContact CE2-CG2 4.27Å; F547-V562 HydrophobicContact CG-CG2 4.35Å; F547-V562 HydrophobicContact CZ-CG1 3.61Å; F547-V562 HydrophobicContact CZ-CG2 4.21Å; F547-T583 HydrophobicContact CB-CG2 4.18Å; F547-T583 HydrophobicContact CD2-CG2 4.03Å; F547-T583 HydrophobicContact CG-CG2 4.24Å; F547-G587 PolarHBondContact N-O 2.97Å; F547-I589 HydrophobicContact CD2-CD1 4.26Å; F547-I589 HydrophobicContact CE2-CB 4.37Å; F547-I589 HydrophobicContact CE2-CD1 4.02Å; F547-I589 HydrophobicContact CE2-CG1 4.41Å; F547-M608 HydrophobicContact CE1-CB 4.3Å; F547-M608 HydrophobicContact CE2-SD 4.29Å; F547-M608 HydrophobicContact CZ-CB 3.68Å; F547-M608 HydrophobicContact CZ-CG 4.5Å; F547-M608 HydrophobicContact CZ-SD 4.02Å; F547-V610 HydrophobicContact CD1-CG2 3.77Å; F547-V610 HydrophobicContact CE1-CG2 4.21Å
548M83.4Confident81.9Confident3 Ų341.2 Ų41.22%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-113.9157.2179.7-54.3-52.4-66.700111.1N527 H528 R546 D553 T556N527-M548 CarbonylContact C-O 3.55Å; N527-M548 WeakPolarHBondContact CA-O 3.45Å; N527-M548 PolarHBondContact N-O 3.07Å; H528-M548 PolarHBondContact CE1-O 3.33Å; H528-M548 VanDerWaalsContact CE1-O 3.25Å; H528-M548 PolarHBondContact ND1-N 3.18Å; H528-M548 PolarHBondContact ND1-O 3.43Å; R546-M548 HydrophobicContact CG-CG 3.95Å; R546-M548 HydrophobicContact CG-SD 4.01Å; R546-M548 PolarHBondContact NE-SD 3.12Å; R546-M548 VanDerWaalsContact NE-SD 3.45Å; M548-D553 HydrophobicContact CB-CB 4.1Å; M548-D553 VanDerWaalsContact CB-OD1 3.27Å; M548-D553 WeakPolarHBondContact CB-OD1 3.32Å; M548-D553 HydrophobicContact CE-CB 3.72Å; M548-D553 WeakPolarHBondContact CE-O 3.36Å; M548-D553 HydrophobicContact CG-CB 4.06Å; M548-T556 HydrophobicContact CE-CG2 4.06Å; M548-T556 WeakPolarHBondContact CE-OG1 3.15Å; M548-T556 HydrophobicContact SD-CG2 3.93Å
549Y80.1Confident81.9Confident1 Ų137.1 Ų37.10%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-131.9137.2177.1-79.4-90.2000109.7L521 T525 A526 H528 V555 L557 D616 T618L521-Y549 HydrophobicContact CD1-CD2 4.2Å; L521-Y549 HydrophobicContact CD1-CE1 4.34Å; L521-Y549 HydrophobicContact CD1-CE2 3.67Å; L521-Y549 HydrophobicContact CD2-CD1 3.83Å; L521-Y549 HydrophobicContact CD2-CD2 3.41Å; L521-Y549 VanDerWaalsContact CD2-CD2 3.41Å; L521-Y549 HydrophobicContact CD2-CE1 4.17Å; L521-Y549 HydrophobicContact CD2-CE2 3.78Å; L521-Y549 HydrophobicContact CD2-CG 3.44Å; L521-Y549 VanDerWaalsContact CD2-CG 3.44Å; L521-Y549 HydrophobicContact CG-CD2 4.45Å; L521-Y549 HydrophobicContact CG-CE2 4.37Å; T525-Y549 CarbonylContact O-C 3.6Å; T525-Y549 WeakPolarHBondContact O-CA 3.47Å; A526-Y549 HydrophobicContact CB-CD1 3.94Å; A526-Y549 HydrophobicContact CB-CE1 3.68Å; H528-Y549 AromaticContact CE1-CD2 3.75Å; H528-Y549 AromaticContact CE1-CE2 3.38Å; H528-Y549 WeakPolarHBondContact CE1-CE2 3.49Å; H528-Y549 AromaticContact CE1-CZ 3.65Å; H528-Y549 AromaticContact NE2-CE2 3.88Å; H528-Y549 AromaticContact NE2-CZ 3.84Å; Y549-V555 PolarHBondContact N-O 2.91Å; Y549-V555 WeakPolarHBondContact O-CB 3.37Å; Y549-V555 PolarHBondContact O-N 2.74Å; Y549-L557 HydrophobicContact CD2-CB 4.3Å; Y549-L557 HydrophobicContact CE2-CB 4.16Å; Y549-L557 HydrophobicContact CE2-CD1 4.12Å; Y549-L557 HydrophobicContact CE2-CD2 4.39Å; Y549-L557 HydrophobicContact CE2-CG 4.45Å; Y549-D616 WeakPolarHBondContact CE1-OD2 3.44Å; Y549-D616 VanDerWaalsContact CZ-OD2 3.26Å; Y549-D616 PolarHBondContact OH-OD2 3.09Å; Y549-T618 PolarHBondContact OH-OG1 2.88Å
550G70.1Confident82.1Confident1 Ų136.4 Ų36.41%0.0121%0.208CC..SBendtrans98.9169.9171.400000114.4T525T525-G550 PolarHBondContact O-N 3.47Å
551P62.7Low82.1Confident74 Ų7433.7 Ų33.748%0.48119%0.185SC..G310 helixtrans-59.2139.9169.627.9-34.1000109.4D553 M554P551-D553 PolarHBondContact O-N 2.9Å; P551-D553 VanDerWaalsContact O-N 3.08Å; P551-M554 HydrophobicContact CG-SD 4.26Å; P551-M554 VanDerWaalsContact O-CG 3.31Å; P551-M554 WeakPolarHBondContact O-CG 3.2Å; P551-M554 PolarHBondContact O-N 2.8Å
552L65.4Low82Confident137 Ų13733.6 Ų33.672%0.71719%0.185SC*.G310 helixtrans51.830.6177.6-56.4175.7000115.2M554 M682L552-M554 VanDerWaalsContact C-N 3.31Å; L552-M554 PolarHBondContact O-N 2.86Å; L552-M682 HydrophobicContact CD2-SD 4.05Å
553D73.5Confident82Confident20 Ų2032.6 Ų32.611%0.10718%0.178CC..G310 helixtrans61.930.1174.4-66.6-16000115.5N527 R529 M548 P551 V555N527-D553 PolarHBondContact ND2-OD1 2.88Å; R529-D553 IonicContact CZ-OD1 3.48Å; R529-D553 IonicContact CZ-OD2 2.72Å; R529-D553 VanDerWaalsContact CZ-OD2 3.27Å; R529-D553 IonicContact NH1-OD1 4Å; R529-D553 IonicContact NH1-OD2 3.39Å; R529-D553 PolarHBondContact NH1-OD2 3.36Å; R529-D553 IonicContact NH2-OD1 3.52Å; R529-D553 PolarHBondContact NH2-OD1 3.5Å; R529-D553 IonicContact NH2-OD2 3.83Å; R529-D553 PolarHBondContact NH2-OD2 3.34Å; M548-D553 HydrophobicContact CB-CB 4.1Å; M548-D553 VanDerWaalsContact CB-OD1 3.27Å; M548-D553 WeakPolarHBondContact CB-OD1 3.32Å; M548-D553 HydrophobicContact CE-CB 3.72Å; M548-D553 WeakPolarHBondContact CE-O 3.36Å; M548-D553 HydrophobicContact CG-CB 4.06Å; P551-D553 PolarHBondContact O-N 2.9Å; P551-D553 VanDerWaalsContact O-N 3.08Å; D553-V555 PolarHBondContact O-N 3.35Å; D553-V555 VanDerWaalsContact O-N 3.14Å
554M71.6Confident81.9Confident152 Ų15232.5 Ų32.575%0.74918%0.178SC*.  trans-56.5-28.3-178.4-75.2176.87200115.2P551 L552P551-M554 HydrophobicContact CG-SD 4.26Å; P551-M554 VanDerWaalsContact O-CG 3.31Å; P551-M554 WeakPolarHBondContact O-CG 3.2Å; P551-M554 PolarHBondContact O-N 2.8Å; L552-M554 VanDerWaalsContact C-N 3.31Å; L552-M554 PolarHBondContact O-N 2.86Å
555V77.8Confident81.9Confident33 Ų3331.5 Ų31.520%0.217%0.171CC..EExtended strand (participates in β ladder)trans-123.6114.8-177.2-176.80000111.4K520 L521 Y549 D553K520-V555 HydrophobicContact CB-CG1 4.38Å; L521-V555 HydrophobicContact CD2-CG1 3.78Å; Y549-V555 PolarHBondContact N-O 2.91Å; Y549-V555 WeakPolarHBondContact O-CB 3.37Å; Y549-V555 PolarHBondContact O-N 2.74Å; D553-V555 PolarHBondContact O-N 3.35Å; D553-V555 VanDerWaalsContact O-N 3.14Å
556T85.2Confident81.9Confident51 Ų5131.4 Ų31.431%0.31317%0.17SC..EExtended strand (participates in β ladder)trans-84127.8175.7-41.70000111.8M548 T558 S586M548-T556 HydrophobicContact CE-CG2 4.06Å; M548-T556 WeakPolarHBondContact CE-OG1 3.15Å; M548-T556 HydrophobicContact SD-CG2 3.93Å; T556-T558 HydrophobicContact CG2-CG2 3.4Å; T556-T558 VanDerWaalsContact CG2-CG2 3.4Å; T556-T558 PolarHBondContact O-N 3.5Å; T556-S586 WeakPolarHBondContact CG2-O 3.47Å
557L85.3Confident81.8Confident1 Ų129.7 Ų29.71%0.00517%0.165CC..  trans-75.5106.8168.5-176.766.3000109.2W512 T517 L521 F547 Y549 E560 T583 G587 V610W512-L557 HydrophobicContact CZ3-CD1 3.98Å; T517-L557 HydrophobicContact CG2-CD1 4.09Å; L521-L557 HydrophobicContact CD1-CD1 4.25Å; F547-L557 HydrophobicContact CB-CB 3.87Å; F547-L557 HydrophobicContact CB-CD2 3.71Å; F547-L557 HydrophobicContact CB-CG 4.36Å; F547-L557 HydrophobicContact CD1-CD2 4.49Å; F547-L557 HydrophobicContact CG-CD2 4.31Å; F547-L557 VanDerWaalsContact O-CB 3.23Å; F547-L557 WeakPolarHBondContact O-CB 3.49Å; F547-L557 PolarHBondContact O-N 3.18Å; Y549-L557 HydrophobicContact CD2-CB 4.3Å; Y549-L557 HydrophobicContact CE2-CB 4.16Å; Y549-L557 HydrophobicContact CE2-CD1 4.12Å; Y549-L557 HydrophobicContact CE2-CD2 4.39Å; Y549-L557 HydrophobicContact CE2-CG 4.45Å; L557-E560 HydrophobicContact CD1-CB 3.82Å; L557-E560 HydrophobicContact CD1-CG 3.69Å; L557-E560 HydrophobicContact CD2-CB 4.45Å; L557-E560 HydrophobicContact CG-CB 4.03Å; L557-E560 HydrophobicContact CG-CG 4.32Å; L557-T583 HydrophobicContact CD2-CG2 4.14Å; L557-T583 HydrophobicContact CG-CG2 4.29Å; L557-T583 WeakPolarHBondContact O-CB 3.42Å; L557-T583 PolarHBondContact O-OG1 3.09Å; L557-G587 VanDerWaalsContact O-CA 3.27Å; L557-G587 WeakPolarHBondContact O-CA 3.41Å; L557-V610 HydrophobicContact CD2-CB 4.5Å; L557-V610 HydrophobicContact CD2-CG1 3.87Å; L557-V610 HydrophobicContact CD2-CG2 3.74Å
558T85.6Confident81.5Confident31 Ų3132.3 Ų32.319%0.1918%0.181CC..  trans-125.3125.4-170.552.90000112.9R514 T556 T583 S585R514-T558 VanDerWaalsContact CD-O 3.22Å; R514-T558 WeakPolarHBondContact CD-O 3.42Å; R514-T558 PolarHBondContact NH1-O 2.87Å; R514-T558 PolarHBondContact NH1-OG1 2.72Å; T556-T558 HydrophobicContact CG2-CG2 3.4Å; T556-T558 VanDerWaalsContact CG2-CG2 3.4Å; T556-T558 PolarHBondContact O-N 3.5Å; T558-T583 WeakPolarHBondContact CA-OG1 3.48Å; T558-S585 VanDerWaalsContact CG2-O 3.24Å; T558-S585 WeakPolarHBondContact CG2-O 3.4Å
559G83.1Confident81.2Confident17 Ų1738 Ų3818%0.17521%0.207CC..SBendtrans73.234.4178.900000113.6T583G559-T583 WeakPolarHBondContact CA-O 3.27Å; G559-T583 PolarHBondContact N-O 2.93Å; G559-T583 PolarHBondContact N-OG1 2.91Å; G559-T583 VanDerWaalsContact N-OG1 3.08Å
560E86.8Confident80.6Confident0 Ų040.3 Ų40.30%022%0.222CC..  trans-126.6154.3-178-59.5-64.7179.200110.8W512 L513 R514 T517 L557 V582 T583 I612W512-E560 HydrophobicContact CE3-CG 4.1Å; W512-E560 HydrophobicContact CZ3-CG 4.16Å; L513-E560 WeakPolarHBondContact CB-OE2 3.39Å; L513-E560 PolarHBondContact N-OE2 3.17Å; R514-E560 WeakPolarHBondContact CB-OE1 3.49Å; R514-E560 PolarHBondContact N-OE1 3.19Å; T517-E560 VanDerWaalsContact CB-OE1 3.29Å; T517-E560 WeakPolarHBondContact CB-OE1 3.22Å; T517-E560 HydrophobicContact CG2-CG 4.16Å; T517-E560 PolarHBondContact OG1-OE1 3.24Å; L557-E560 HydrophobicContact CD1-CB 3.82Å; L557-E560 HydrophobicContact CD1-CG 3.69Å; L557-E560 HydrophobicContact CD2-CB 4.45Å; L557-E560 HydrophobicContact CG-CB 4.03Å; L557-E560 HydrophobicContact CG-CG 4.32Å; E560-V582 WeakPolarHBondContact O-CA 3.37Å; E560-T583 PolarHBondContact N-OG1 3.13Å; E560-T583 PolarHBondContact O-N 3.41Å; E560-I612 HydrophobicContact CB-CD1 3.76Å; E560-I612 HydrophobicContact CG-CD1 4.09Å; E560-I612 WeakPolarHBondContact OE2-CD1 3.45Å
561K86.5Confident80.1Confident45 Ų4547.7 Ų47.720%0.19626%0.257CS..EExtended strand (participates in β ladder)trans-83.1142.1-171.6-72169.4160.5-1570113.3E510 L513 M580 E581 V582 K611E510-K561 IonicContact OE1-NZ 3.65Å; E510-K561 PolarHBondContact OE1-NZ 3.38Å; E510-K561 IonicContact OE2-NZ 2.72Å; L513-K561 HydrophobicContact CD1-CD 4.31Å; L513-K561 HydrophobicContact CD1-CG 3.99Å; K561-M580 HydrophobicContact CB-CG 4.23Å; K561-M580 HydrophobicContact CB-SD 4.01Å; K561-M580 HydrophobicContact CD-SD 3.47Å; K561-M580 WeakPolarHBondContact CD-SD 3.26Å; K561-M580 HydrophobicContact CG-CG 4.4Å; K561-M580 HydrophobicContact CG-SD 3.77Å; K561-E581 CarbonylContact C-O 3.53Å; K561-E581 WeakPolarHBondContact CA-O 3.27Å; K561-V582 HydrophobicContact CG-CG2 4.2Å; K561-K611 HydrophobicContact CB-CB 4.22Å; K561-K611 PolarHBondContact O-N 3.23Å
562V88.1Confident80.4Confident0 Ų047.2 Ų47.20%026%0.255CS..EExtended strand (participates in β ladder)trans-135.2124.6174.6-179.80000109.4F547 M580 E581 T583 I589 M608 V609 V610F547-V562 HydrophobicContact CD1-CG2 4.22Å; F547-V562 HydrophobicContact CD2-CG2 4.33Å; F547-V562 HydrophobicContact CE1-CG1 3.88Å; F547-V562 HydrophobicContact CE1-CG2 4.15Å; F547-V562 HydrophobicContact CE2-CG1 4.22Å; F547-V562 HydrophobicContact CE2-CG2 4.27Å; F547-V562 HydrophobicContact CG-CG2 4.35Å; F547-V562 HydrophobicContact CZ-CG1 3.61Å; F547-V562 HydrophobicContact CZ-CG2 4.21Å; V562-M580 WeakPolarHBondContact O-CA 3.45Å; V562-E581 PolarHBondContact N-O 2.99Å; V562-E581 PolarHBondContact O-N 3.46Å; V562-T583 HydrophobicContact CG2-CG2 3.96Å; V562-I589 HydrophobicContact CB-CD1 3.45Å; V562-I589 VanDerWaalsContact CB-CD1 3.45Å; V562-I589 HydrophobicContact CG1-CD1 4.15Å; V562-I589 HydrophobicContact CG2-CD1 3.44Å; V562-I589 VanDerWaalsContact CG2-CD1 3.44Å; V562-M608 HydrophobicContact CG1-CB 3.83Å; V562-V609 CarbonylContact C-O 3.59Å; V562-V609 VanDerWaalsContact CA-O 3.28Å; V562-V609 WeakPolarHBondContact CA-O 3.29Å; V562-V609 WeakPolarHBondContact CG1-O 3.49Å; V562-V610 HydrophobicContact CG2-CG2 4.31Å
563D89.4Confident80.7Confident18 Ų1842.7 Ų42.710%0.09624%0.242CC..EExtended strand (participates in β ladder)trans-80.8138.9172.4-71.6-15.2000110.3H577 M608 V609 K611D563-H577 IonicContact OD1-NE2 2.68Å; D563-M608 CarbonylContact O-C 3.1Å; D563-M608 WeakPolarHBondContact O-CA 3.42Å; D563-V609 PolarHBondContact N-O 2.76Å; D563-V609 PolarHBondContact O-N 3.17Å; D563-K611 VanDerWaalsContact OD1-CD 3.28Å; D563-K611 WeakPolarHBondContact OD1-CD 3.26Å; D563-K611 IonicContact OD1-NZ 2.67Å; D563-K611 PolarHBondContact OD1-NZ 3.01Å; D563-K611 WeakPolarHBondContact OD2-CG 3.47Å; D563-K611 IonicContact OD2-NZ 2.69Å; D563-K611 PolarHBondContact OD2-NZ 3.4Å
564I90.7Very high80.8Confident0 Ų048.3 Ų48.30%026%0.262CS..EExtended strand (participates in β ladder)trans-107.7112.2178.3-56.2178000108.5L543 F578 D579 E581 I589 Y591 M608L543-I564 HydrophobicContact CD1-CG2 3.86Å; I564-F578 HydrophobicContact CG2-CB 4.44Å; I564-F578 PolarHBondContact O-N 3.43Å; I564-D579 PolarHBondContact N-O 2.99Å; I564-E581 HydrophobicContact CD1-CB 4.27Å; I564-E581 HydrophobicContact CD1-CG 3.89Å; I564-I589 HydrophobicContact CD1-CG2 4.48Å; I564-Y591 HydrophobicContact CD1-CD1 3.79Å; I564-Y591 HydrophobicContact CD1-CD2 3.89Å; I564-Y591 HydrophobicContact CD1-CG 3.38Å; I564-Y591 HydrophobicContact CG2-CD1 4.35Å; I564-M608 HydrophobicContact CD1-CE 4.29Å; I564-M608 HydrophobicContact CG1-CE 4.39Å; I564-M608 HydrophobicContact CG1-CG 4.33Å; I564-M608 HydrophobicContact CG2-CE 4.44Å
565L88.6Confident81.3Confident19 Ų1945.1 Ų45.110%0.09924%0.241CC..EExtended strand (participates in β ladder)trans-110.9134.5179.8-62.1151.9000109.4F503 W575 V576 H577 K607 V609F503-L565 HydrophobicContact CZ-CD2 4.4Å; L565-W575 HydrophobicContact CB-CE3 3.89Å; L565-W575 HydrophobicContact CD2-CB 4.4Å; L565-V576 WeakPolarHBondContact CA-O 3.3Å; L565-H577 HydrophobicContact CD2-CB 4.08Å; L565-K607 HydrophobicContact CB-CB 4.42Å; L565-K607 WeakPolarHBondContact CB-O 3.11Å; L565-K607 PolarHBondContact N-O 3.03Å; L565-K607 PolarHBondContact O-N 3.19Å; L565-V609 HydrophobicContact CD1-CG2 3.75Å
566V89.3Confident81.6Confident0 Ų046.1 Ų46.10%025%0.247CC..EExtended strand (participates in β ladder)trans-129135175.7-1710000109.3T568 V576 F578 L599 V606V566-T568 PolarHBondContact O-N 3.41Å; V566-V576 PolarHBondContact N-O 3.31Å; V566-V576 WeakPolarHBondContact O-CB 3.38Å; V566-V576 PolarHBondContact O-N 2.89Å; V566-F578 HydrophobicContact CB-CD2 3.82Å; V566-F578 HydrophobicContact CB-CE2 3.71Å; V566-F578 HydrophobicContact CB-CG 4.45Å; V566-F578 HydrophobicContact CB-CZ 4.2Å; V566-F578 HydrophobicContact CG2-CD1 4.25Å; V566-F578 HydrophobicContact CG2-CD2 3.79Å; V566-F578 HydrophobicContact CG2-CE1 4.46Å; V566-F578 HydrophobicContact CG2-CE2 4.06Å; V566-F578 HydrophobicContact CG2-CG 3.91Å; V566-F578 HydrophobicContact CG2-CZ 4.38Å; V566-L599 HydrophobicContact CG1-CD1 3.96Å; V566-V606 HydrophobicContact CG1-CG2 4.27Å; V566-V606 HydrophobicContact CG2-CG2 4.29Å
567M85.7Confident81.7Confident21 Ų2147.2 Ų47.210%0.10325%0.249CC..  trans-87.586.2173.9-172.7177.7-62.500109.1Q569 G573 W575 P605M567-Q569 PolarHBondContact O-N 3.08Å; M567-G573 WeakPolarHBondContact CE-O 3.46Å; M567-W575 HydrophobicContact CB-CD2 4.5Å; M567-W575 HydrophobicContact CB-CE3 4.14Å; M567-W575 HydrophobicContact CB-CZ3 4.2Å; M567-W575 HydrophobicContact CE-CD2 3.98Å; M567-W575 VanDerWaalsContact CE-CE2 3.47Å; M567-W575 HydrophobicContact CE-CG 4.39Å; M567-W575 HydrophobicContact CE-CH2 4.29Å; M567-W575 HydrophobicContact CE-CZ2 3.67Å; M567-P605 HydrophobicContact CB-CB 4.16Å; M567-P605 HydrophobicContact CB-CG 4.26Å; M567-P605 PolarHBondContact N-O 3.22Å; M567-P605 HydrophobicContact SD-CG 4.31Å
568T83.1Confident81.9Confident54 Ų5447.6 Ų47.633%0.33125%0.25SS..SBendtrans-64.2-25.3-175.258.70000113.5V566 V576 F578 L599 Y604V566-T568 PolarHBondContact O-N 3.41Å; T568-V576 HydrophobicContact CG2-CB 4.16Å; T568-V576 HydrophobicContact CG2-CG2 4.1Å; T568-F578 HydrophobicContact CG2-CE2 3.58Å; T568-F578 HydrophobicContact CG2-CZ 3.79Å; T568-L599 HydrophobicContact CG2-CD2 3.99Å; T568-Y604 VanDerWaalsContact O-CE1 3.32Å; T568-Y604 WeakPolarHBondContact O-CE1 3.46Å
569Q76.4Confident82Confident122 Ų12249.2 Ų49.257%0.5726%0.258SS*.SBendtrans-128.589.1175.9-165.7178.738.400109.6M567 Q571 S572M567-Q569 PolarHBondContact O-N 3.08Å; Q569-Q571 PolarHBondContact O-N 3.36Å; Q569-S572 PolarHBondContact O-N 2.87Å; Q569-S572 PolarHBondContact O-OG 3Å
570P67.3Low82.2Confident50 Ų5051.2 Ų51.233%0.32526%0.263SS..THydrogen-bonded Turntrans-57.6-19.3-173.6-28.836.1000116.2V603P570-V603 WeakPolarHBondContact CG-O 3.2Å
571Q60.9Low82.3Confident156 Ų15654.3 Ų54.373%0.72928%0.278SS*.THydrogen-bonded Turntrans-75.3-25.3176.2-53.3-64.1800113.2Q569Q569-Q571 PolarHBondContact O-N 3.36Å
572S68.4Low82.5Confident64 Ų6455.5 Ų55.545%0.44829%0.289SS..THydrogen-bonded Turntrans-87.5-12.5-178.169.60000113.6Q569 R574Q569-S572 PolarHBondContact O-N 2.87Å; Q569-S572 PolarHBondContact O-OG 3Å; S572-R574 PolarHBondContact O-N 3.37Å; S572-R574 WeakPolarHBondContact OG-CB 3.3Å; S572-R574 PolarHBondContact OG-N 3.45Å
573G71.8Confident82.5Confident43 Ų4355.7 Ų55.744%0.44329%0.29SS..  trans64.72.3-172.300000114.7M567M567-G573 WeakPolarHBondContact CE-O 3.46Å
574R74.5Confident82.6Confident138 Ų13858.3 Ų58.352%0.52130%0.304SS..  trans-82.6120.6-171.7-169.5178.5-175.4172.16.9111.6S500 S572S500-R574 PolarHBondContact OG-NH2 3.28Å; S572-R574 PolarHBondContact O-N 3.37Å; S572-R574 WeakPolarHBondContact OG-CB 3.3Å; S572-R574 PolarHBondContact OG-N 3.45Å
575W81.8Confident82.3Confident85 Ų8563.5 Ų63.532%0.32234%0.34SS..  trans-78.7129.5170.7-66.395.4000110.9L565 M567 P605 K607L565-W575 HydrophobicContact CB-CE3 3.89Å; L565-W575 HydrophobicContact CD2-CB 4.4Å; M567-W575 HydrophobicContact CB-CD2 4.5Å; M567-W575 HydrophobicContact CB-CE3 4.14Å; M567-W575 HydrophobicContact CB-CZ3 4.2Å; M567-W575 HydrophobicContact CE-CD2 3.98Å; M567-W575 VanDerWaalsContact CE-CE2 3.47Å; M567-W575 HydrophobicContact CE-CG 4.39Å; M567-W575 HydrophobicContact CE-CH2 4.29Å; M567-W575 HydrophobicContact CE-CZ2 3.67Å; W575-P605 HydrophobicContact CH2-CB 3.9Å; W575-P605 HydrophobicContact CZ3-CB 4.32Å; W575-P605 WeakPolarHBondContact CZ3-O 3.42Å; W575-K607 HydrophobicContact CE3-CB 4.06Å; W575-K607 HydrophobicContact CH2-CB 3.59Å; W575-K607 HydrophobicContact CH2-CD 4.33Å; W575-K607 HydrophobicContact CZ2-CB 4.3Å; W575-K607 HydrophobicContact CZ2-CD 4.24Å; W575-K607 HydrophobicContact CZ3-CB 3.45Å; W575-K607 VanDerWaalsContact CZ3-CB 3.45Å
576V85.9Confident82.1Confident53 Ų5364.5 Ų64.532%0.32135%0.348SS..EExtended strand (participates in β ladder)trans-106.8130.6174.4-178.10000108.9L565 V566 T568 F578L565-V576 WeakPolarHBondContact CA-O 3.3Å; V566-V576 PolarHBondContact N-O 3.31Å; V566-V576 WeakPolarHBondContact O-CB 3.38Å; V566-V576 PolarHBondContact O-N 2.89Å; T568-V576 HydrophobicContact CG2-CB 4.16Å; T568-V576 HydrophobicContact CG2-CG2 4.1Å; V576-F578 HydrophobicContact CB-CE2 4.24Å; V576-F578 HydrophobicContact CG1-CD2 4.28Å; V576-F578 HydrophobicContact CG1-CE2 4.08Å; V576-F578 PolarHBondContact O-N 3.47Å
577H87.3Confident81.9Confident75 Ų7564.5 Ų64.535%0.34735%0.348SS..EExtended strand (participates in β ladder)trans-76.8119.5174.6179.8-79.1000110.4D563 L565D563-H577 IonicContact OD1-NE2 2.68Å; L565-H577 HydrophobicContact CD2-CB 4.08Å
578F88.4Confident82Confident9 Ų967 Ų674%0.03936%0.357CS..EExtended strand (participates in β ladder)trans-88.4-57178.1-90.6-124.3000110.8I564 V566 T568 V576 Y591 I593 K597 L599I564-F578 HydrophobicContact CG2-CB 4.44Å; I564-F578 PolarHBondContact O-N 3.43Å; V566-F578 HydrophobicContact CB-CD2 3.82Å; V566-F578 HydrophobicContact CB-CE2 3.71Å; V566-F578 HydrophobicContact CB-CG 4.45Å; V566-F578 HydrophobicContact CB-CZ 4.2Å; V566-F578 HydrophobicContact CG2-CD1 4.25Å; V566-F578 HydrophobicContact CG2-CD2 3.79Å; V566-F578 HydrophobicContact CG2-CE1 4.46Å; V566-F578 HydrophobicContact CG2-CE2 4.06Å; V566-F578 HydrophobicContact CG2-CG 3.91Å; V566-F578 HydrophobicContact CG2-CZ 4.38Å; T568-F578 HydrophobicContact CG2-CE2 3.58Å; T568-F578 HydrophobicContact CG2-CZ 3.79Å; V576-F578 HydrophobicContact CB-CE2 4.24Å; V576-F578 HydrophobicContact CG1-CD2 4.28Å; V576-F578 HydrophobicContact CG1-CE2 4.08Å; V576-F578 PolarHBondContact O-N 3.47Å; F578-Y591 HydrophobicContact CB-CE1 4.36Å; F578-Y591 HydrophobicContact CD1-CE1 4.47Å; F578-I593 HydrophobicContact CD1-CD1 4.43Å; F578-I593 HydrophobicContact CD1-CG1 4.27Å; F578-I593 HydrophobicContact CD1-CG2 4.2Å; F578-I593 HydrophobicContact CE1-CD1 4.18Å; F578-I593 HydrophobicContact CE1-CG1 4.38Å; F578-I593 HydrophobicContact CE1-CG2 3.84Å; F578-K597 HydrophobicContact CD1-CB 4.25Å; F578-K597 HydrophobicContact CD1-CD 4.11Å; F578-K597 HydrophobicContact CE1-CB 3.74Å; F578-K597 HydrophobicContact CE1-CD 4.3Å; F578-K597 WeakPolarHBondContact CE1-O 3.31Å; F578-K597 HydrophobicContact CG-CD 4.47Å; F578-K597 HydrophobicContact CZ-CB 4.33Å; F578-K597 PolarHBondContact O-NZ 3.01Å; F578-L599 HydrophobicContact CZ-CD2 4.2Å
579D87.4Confident82.4Confident65 Ų6564.7 Ų64.735%0.34834%0.342SS..EExtended strand (participates in β ladder)trans-164.7175.6-174.2-129.3-42.6000113I564 Y591I564-D579 PolarHBondContact N-O 2.99Å; D579-Y591 HydrophobicContact CB-CD2 4.17Å; D579-Y591 HydrophobicContact CB-CE1 4.44Å; D579-Y591 HydrophobicContact CB-CE2 3.36Å; D579-Y591 WeakPolarHBondContact CB-OH 3.44Å; D579-Y591 VanDerWaalsContact OD2-CE2 3.31Å; D579-Y591 WeakPolarHBondContact OD2-CE2 3.21Å; D579-Y591 PolarHBondContact OD2-OH 3.39Å; D579-Y591 VanDerWaalsContact OD2-OH 3.04Å
580M88.3Confident83.1Confident59 Ų5962.8 Ų62.829%0.29134%0.339SS..EExtended strand (participates in β ladder)trans-125.1121.8174.2-175.9-164.6-43.800110.6K561 V562 K611K561-M580 HydrophobicContact CB-CG 4.23Å; K561-M580 HydrophobicContact CB-SD 4.01Å; K561-M580 HydrophobicContact CD-SD 3.47Å; K561-M580 WeakPolarHBondContact CD-SD 3.26Å; K561-M580 HydrophobicContact CG-CG 4.4Å; K561-M580 HydrophobicContact CG-SD 3.77Å; V562-M580 WeakPolarHBondContact O-CA 3.45Å; M580-K611 HydrophobicContact CE-CD 3.63Å; M580-K611 VanDerWaalsContact CE-CE 3.42Å; M580-K611 HydrophobicContact CG-CD 4.47Å; M580-K611 HydrophobicContact SD-CD 3.86Å
581E89.4Confident84.3Confident65 Ų6560.8 Ų60.830%0.30433%0.325SS..EExtended strand (participates in β ladder)trans-113159.3-179.7-81.3-66.6174.400112.4K561 V562 I564 I589 Y591K561-E581 CarbonylContact C-O 3.53Å; K561-E581 WeakPolarHBondContact CA-O 3.27Å; V562-E581 PolarHBondContact N-O 2.99Å; V562-E581 PolarHBondContact O-N 3.46Å; I564-E581 HydrophobicContact CD1-CB 4.27Å; I564-E581 HydrophobicContact CD1-CG 3.89Å; E581-I589 HydrophobicContact CB-CD1 3.97Å; E581-I589 HydrophobicContact CB-CG1 4.28Å; E581-I589 HydrophobicContact CB-CG2 3.53Å; E581-I589 HydrophobicContact CG-CG2 3.95Å; E581-Y591 HydrophobicContact CG-CD2 3.95Å; E581-Y591 HydrophobicContact CG-CG 4.49Å
582V89.4Confident85.8Confident70 Ų7056.8 Ų56.842%0.42431%0.312SS..EExtended strand (participates in β ladder)trans-112.4129.8179.4-178.90000110.4E560 K561 N584E560-V582 WeakPolarHBondContact O-CA 3.37Å; K561-V582 HydrophobicContact CG-CG2 4.2Å; V582-N584 PolarHBondContact O-N 3.13Å
583T89.2Confident86.9Confident4 Ų454.2 Ų54.23%0.02529%0.293CS..  trans-64.8134-179.262.40000112.5F547 L557 T558 G559 E560 V562 I589F547-T583 HydrophobicContact CB-CG2 4.18Å; F547-T583 HydrophobicContact CD2-CG2 4.03Å; F547-T583 HydrophobicContact CG-CG2 4.24Å; L557-T583 HydrophobicContact CD2-CG2 4.14Å; L557-T583 HydrophobicContact CG-CG2 4.29Å; L557-T583 WeakPolarHBondContact O-CB 3.42Å; L557-T583 PolarHBondContact O-OG1 3.09Å; T558-T583 WeakPolarHBondContact CA-OG1 3.48Å; G559-T583 WeakPolarHBondContact CA-O 3.27Å; G559-T583 PolarHBondContact N-O 2.93Å; G559-T583 PolarHBondContact N-OG1 2.91Å; G559-T583 VanDerWaalsContact N-OG1 3.08Å; E560-T583 PolarHBondContact N-OG1 3.13Å; E560-T583 PolarHBondContact O-N 3.41Å; V562-T583 HydrophobicContact CG2-CG2 3.96Å; T583-I589 HydrophobicContact CG2-CD1 3.68Å; T583-I589 HydrophobicContact CG2-CG1 3.95Å
584N90Very high87.7Confident72 Ų7254.6 Ų54.639%0.38529%0.287SS..  trans-75.3-176.9176.375.815.6000112.6V582 S586 G587 R588V582-N584 PolarHBondContact O-N 3.13Å; N584-S586 PolarHBondContact O-N 3.27Å; N584-S586 VanDerWaalsContact O-N 3.15Å; N584-S586 WeakPolarHBondContact OD1-CA 3.31Å; N584-S586 WeakPolarHBondContact OD1-CB 3.4Å; N584-S586 PolarHBondContact OD1-N 2.93Å; N584-S586 PolarHBondContact OD1-OG 3.31Å; N584-G587 PolarHBondContact O-N 3.37Å; N584-G587 PolarHBondContact OD1-N 2.97Å; N584-R588 PolarHBondContact N-O 3.47Å; N584-R588 PolarHBondContact OD1-N 3.34Å; N584-R588 PolarHBondContact OD1-O 2.97Å
585S85.4Confident88.1Confident109 Ų10957.7 Ų57.776%0.76231%0.305SS*.THydrogen-bonded Turntrans-60.8-19.9178.9540000115T558T558-S585 VanDerWaalsContact CG2-O 3.24Å; T558-S585 WeakPolarHBondContact CG2-O 3.4Å
586S83.9Confident88.3Confident40 Ų4059 Ų5928%0.2833%0.326SS..THydrogen-bonded Turntrans-994.4175.772.10000113.8T556 N584 R588T556-S586 WeakPolarHBondContact CG2-O 3.47Å; N584-S586 PolarHBondContact O-N 3.27Å; N584-S586 VanDerWaalsContact O-N 3.15Å; N584-S586 WeakPolarHBondContact OD1-CA 3.31Å; N584-S586 WeakPolarHBondContact OD1-CB 3.4Å; N584-S586 PolarHBondContact OD1-N 2.93Å; N584-S586 PolarHBondContact OD1-OG 3.31Å; S586-R588 PolarHBondContact O-N 2.93Å; S586-R588 WeakPolarHBondContact OG-CG 3.46Å
587G85.4Confident88.2Confident0 Ų060.6 Ų60.60%033%0.329CS..SBendtrans7313.5-177.300000113.9R546 F547 L557 N584R546-G587 CarbonylContact C-O 3.38Å; R546-G587 WeakPolarHBondContact CA-O 3.46Å; F547-G587 PolarHBondContact N-O 2.97Å; L557-G587 VanDerWaalsContact O-CA 3.27Å; L557-G587 WeakPolarHBondContact O-CA 3.41Å; N584-G587 PolarHBondContact O-N 3.37Å; N584-G587 PolarHBondContact OD1-N 2.97Å
588R88.6Confident88.2Confident74 Ų7460.4 Ų60.428%0.27933%0.327SS..EExtended strand (participates in β ladder)trans-88.7149.5177.5-65.6178.3-179.1-1341.9111.1G545 R546 N584 S586 E705G545-R588 CarbonylContact O-C 3.58Å; G545-R588 VanDerWaalsContact O-CA 3.27Å; G545-R588 WeakPolarHBondContact O-CA 3.37Å; R546-R588 HydrophobicContact CB-CG 4.45Å; R546-R588 HydrophobicContact CG-CG 4.09Å; N584-R588 PolarHBondContact N-O 3.47Å; N584-R588 PolarHBondContact OD1-N 3.34Å; N584-R588 PolarHBondContact OD1-O 2.97Å; S586-R588 PolarHBondContact O-N 2.93Å; S586-R588 WeakPolarHBondContact OG-CG 3.46Å; R588-E705 IonicContact CZ-OE2 3.27Å; R588-E705 IonicContact NH1-OE1 2.95Å; R588-E705 PolarHBondContact NH1-OE1 3.33Å; R588-E705 IonicContact NH1-OE2 3.61Å; R588-E705 PolarHBondContact NH1-OE2 2.95Å; R588-E705 IonicContact NH2-OE2 3.28Å; R588-E705 PolarHBondContact NH2-OE2 2.69Å
589I91.4Very high88.2Confident5 Ų560.7 Ų60.73%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-128.2136.4167.2-73.8177.4000107.5V544 G545 F547 V562 I564 E581 T583V544-I589 WeakPolarHBondContact CA-O 3.36Å; G545-I589 PolarHBondContact N-O 3.04Å; G545-I589 PolarHBondContact O-N 3.14Å; F547-I589 HydrophobicContact CD2-CD1 4.26Å; F547-I589 HydrophobicContact CE2-CB 4.37Å; F547-I589 HydrophobicContact CE2-CD1 4.02Å; F547-I589 HydrophobicContact CE2-CG1 4.41Å; V562-I589 HydrophobicContact CB-CD1 3.45Å; V562-I589 VanDerWaalsContact CB-CD1 3.45Å; V562-I589 HydrophobicContact CG1-CD1 4.15Å; V562-I589 HydrophobicContact CG2-CD1 3.44Å; V562-I589 VanDerWaalsContact CG2-CD1 3.44Å; I564-I589 HydrophobicContact CD1-CG2 4.48Å; E581-I589 HydrophobicContact CB-CD1 3.97Å; E581-I589 HydrophobicContact CB-CG1 4.28Å; E581-I589 HydrophobicContact CB-CG2 3.53Å; E581-I589 HydrophobicContact CG-CG2 3.95Å; T583-I589 HydrophobicContact CG2-CD1 3.68Å; T583-I589 HydrophobicContact CG2-CG1 3.95Å
590T91.3Very high88.2Confident83 Ų8358.9 Ų58.951%0.50933%0.326SS..EExtended strand (participates in β ladder)trans-128.7114.6174.5-60.50000107.3T542 L543 V544T542-T590 HydrophobicContact CG2-CG2 3.55Å; L543-T590 WeakPolarHBondContact O-CA 3.4Å; V544-T590 HydrophobicContact CG2-CG2 4.3Å
591Y91.6Very high88.1Confident8 Ų859.6 Ų59.63%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-123121.3-178.4178.2-103.8000110.6T542 L543 I564 F578 D579 E581 I593 P594T542-Y591 CarbonylContact C-O 3.36Å; T542-Y591 WeakPolarHBondContact CA-O 3.46Å; L543-Y591 HydrophobicContact CD1-CD1 4.34Å; L543-Y591 PolarHBondContact N-O 2.86Å; L543-Y591 PolarHBondContact O-N 3.32Å; I564-Y591 HydrophobicContact CD1-CD1 3.79Å; I564-Y591 HydrophobicContact CD1-CD2 3.89Å; I564-Y591 HydrophobicContact CD1-CG 3.38Å; I564-Y591 HydrophobicContact CG2-CD1 4.35Å; F578-Y591 HydrophobicContact CB-CE1 4.36Å; F578-Y591 HydrophobicContact CD1-CE1 4.47Å; D579-Y591 HydrophobicContact CB-CD2 4.17Å; D579-Y591 HydrophobicContact CB-CE1 4.44Å; D579-Y591 HydrophobicContact CB-CE2 3.36Å; D579-Y591 WeakPolarHBondContact CB-OH 3.44Å; D579-Y591 VanDerWaalsContact OD2-CE2 3.31Å; D579-Y591 WeakPolarHBondContact OD2-CE2 3.21Å; D579-Y591 PolarHBondContact OD2-OH 3.39Å; D579-Y591 VanDerWaalsContact OD2-OH 3.04Å; E581-Y591 HydrophobicContact CG-CD2 3.95Å; E581-Y591 HydrophobicContact CG-CG 4.49Å; Y591-I593 HydrophobicContact CD1-CG1 4.3Å; Y591-I593 HydrophobicContact CE1-CG1 3.96Å; Y591-P594 VanDerWaalsContact OH-CD 3.27Å; Y591-P594 WeakPolarHBondContact OH-CD 3.3Å
592T92.7Very high87.9Confident72 Ų7257.2 Ų57.244%0.44232%0.324SS..EExtended strand (participates in β ladder)trans-99.5119.4175.1-60.30000109.2P540 T542 P594P540-T592 HydrophobicContact CB-CG2 4.45Å; T542-T592 PolarHBondContact OG1-OG1 2.78Å; T592-P594 WeakPolarHBondContact O-CD 3.47Å
593I90.9Very high87.7Confident9 Ų955.9 Ų55.95%0.04632%0.315CS..PPolyproline II helixtrans-59.2122.6179.6-63.2177.6000109.3Q541 F578 Y591 K597 L599 L624Q541-I593 HydrophobicContact CB-CB 4.11Å; Q541-I593 HydrophobicContact CB-CD1 4.1Å; Q541-I593 HydrophobicContact CB-CG1 4.35Å; Q541-I593 PolarHBondContact O-N 3.32Å; F578-I593 HydrophobicContact CD1-CD1 4.43Å; F578-I593 HydrophobicContact CD1-CG1 4.27Å; F578-I593 HydrophobicContact CD1-CG2 4.2Å; F578-I593 HydrophobicContact CE1-CD1 4.18Å; F578-I593 HydrophobicContact CE1-CG1 4.38Å; F578-I593 HydrophobicContact CE1-CG2 3.84Å; Y591-I593 HydrophobicContact CD1-CG1 4.3Å; Y591-I593 HydrophobicContact CE1-CG1 3.96Å; I593-K597 HydrophobicContact CG2-CB 4.06Å; I593-K597 VanDerWaalsContact CG2-O 3.3Å; I593-K597 WeakPolarHBondContact CG2-O 3.49Å; I593-L599 HydrophobicContact CD1-CD1 4.11Å; I593-L624 HydrophobicContact CD1-CD2 3.52Å
594P88.6Confident87.6Confident51 Ų5157 Ų5733%0.33132%0.319SS..PPolyproline II helixtrans-60.1150.1178.1-25.935000112.3Y591 T592 S596 K597 K598Y591-P594 VanDerWaalsContact OH-CD 3.27Å; Y591-P594 WeakPolarHBondContact OH-CD 3.3Å; T592-P594 WeakPolarHBondContact O-CD 3.47Å; P594-S596 PolarHBondContact O-N 3.48Å; P594-K597 PolarHBondContact O-N 3.34Å; P594-K598 PolarHBondContact O-N 3.25Å
595K84.1Confident87.6Confident204 Ų20454.8 Ų54.889%0.88731%0.309SS*.G310 helixtrans-53.3-29.4179.6-67-175.8178.7-178.60113.6
596S84Confident87.9Confident111 Ų11149.7 Ų49.778%0.77627%0.273SS*.G310 helixtrans-74.7-19177.452.10000115.2P594P594-S596 PolarHBondContact O-N 3.48Å
597K85.8Confident88.1Confident87 Ų8749.9 Ų49.938%0.37827%0.269SS..G310 helixtrans-114.715.6177.4-61.6-171.6-177-177.80112.3F578 I593 P594F578-K597 HydrophobicContact CD1-CB 4.25Å; F578-K597 HydrophobicContact CD1-CD 4.11Å; F578-K597 HydrophobicContact CE1-CB 3.74Å; F578-K597 HydrophobicContact CE1-CD 4.3Å; F578-K597 WeakPolarHBondContact CE1-O 3.31Å; F578-K597 HydrophobicContact CG-CD 4.47Å; F578-K597 HydrophobicContact CZ-CB 4.33Å; F578-K597 PolarHBondContact O-NZ 3.01Å; I593-K597 HydrophobicContact CG2-CB 4.06Å; I593-K597 VanDerWaalsContact CG2-O 3.3Å; I593-K597 WeakPolarHBondContact CG2-O 3.49Å; P594-K597 PolarHBondContact O-N 3.34Å
598K86.9Confident88.4Confident72 Ų7249.9 Ų49.931%0.31327%0.269SS..  trans-64.5138-173.1-159.7178-161.8-174.40111.1E537 D538 G539 P594E537-K598 WeakPolarHBondContact O-CE 3.31Å; E537-K598 PolarHBondContact O-NZ 2.97Å; D538-K598 PolarHBondContact O-NZ 3Å; G539-K598 WeakPolarHBondContact O-CE 3.31Å; G539-K598 PolarHBondContact O-NZ 2.97Å; P594-K598 PolarHBondContact O-N 3.25Å
599L88.4Confident88.3Confident15 Ų1547.7 Ų47.78%0.07926%0.264CS..  trans-92.9136.4-177.3-59.3169.7000110.2Q541 V566 T568 F578 I593 Y604 L624 V626Q541-L599 PolarHBondContact NE2-O 3.4Å; V566-L599 HydrophobicContact CG1-CD1 3.96Å; T568-L599 HydrophobicContact CG2-CD2 3.99Å; F578-L599 HydrophobicContact CZ-CD2 4.2Å; I593-L599 HydrophobicContact CD1-CD1 4.11Å; L599-Y604 HydrophobicContact CB-CD2 4.06Å; L599-Y604 HydrophobicContact CB-CE2 3.71Å; L599-Y604 HydrophobicContact CD1-CD1 4.29Å; L599-Y604 HydrophobicContact CD1-CD2 3.86Å; L599-Y604 HydrophobicContact CD1-CE2 4.35Å; L599-Y604 HydrophobicContact CD1-CG 3.82Å; L599-Y604 HydrophobicContact CD2-CD1 4.43Å; L599-Y604 HydrophobicContact CD2-CE1 4.32Å; L599-Y604 HydrophobicContact CG-CD2 4.49Å; L599-L624 HydrophobicContact CD1-CD2 3.76Å; L599-V626 HydrophobicContact CB-CG2 4.25Å
600G86.9Confident87.9Confident27 Ų2747.7 Ų47.728%0.27826%0.264SS..  trans-73.7-170.1173.400000112.4G602 Y604 V626G600-G602 PolarHBondContact O-N 3.26Å; G600-Y604 VanDerWaalsContact O-CE2 3.29Å; G600-Y604 WeakPolarHBondContact O-CE2 3.37Å; G600-Y604 PolarHBondContact O-OH 2.79Å; G600-V626 WeakPolarHBondContact O-CB 3.5Å; G600-V626 WeakPolarHBondContact O-CG1 3.23Å
601L86.8Confident86.8Confident74 Ų7446.4 Ų46.439%0.38725%0.251SS..SBendtrans-58.5126.8179-58.5-179.4000112.3E537 V626 P628 M797E537-L601 HydrophobicContact CB-CD2 4.15Å; L601-V626 HydrophobicContact CD2-CG1 4.34Å; L601-P628 HydrophobicContact CD1-CB 4.34Å; L601-P628 HydrophobicContact CD2-CB 4.32Å; L601-M797 HydrophobicContact CB-SD 4.12Å
602G84.1Confident85.1Confident15 Ų1546.7 Ų46.716%0.15525%0.253CS..EExtended strand (participates in β ladder)trans159.9-177.7-179.400000115.1G600 T625 V626G600-G602 PolarHBondContact O-N 3.26Å; G602-T625 CarbonylContact O-C 3.59Å; G602-T625 WeakPolarHBondContact O-CA 3.48Å; G602-V626 PolarHBondContact N-O 2.87Å; G602-V626 VanDerWaalsContact N-O 3.11Å; G602-V626 PolarHBondContact O-N 3.48Å
603V86.1Confident82.9Confident42 Ų4247.6 Ų47.626%0.25525%0.248SC..EExtended strand (participates in β ladder)trans-117.2118.7173.6-178.50000108.7P570 Y623 T625 L799P570-V603 WeakPolarHBondContact CG-O 3.2Å; V603-Y623 HydrophobicContact CG1-CD1 3.79Å; V603-Y623 HydrophobicContact CG1-CG 4.4Å; V603-T625 HydrophobicContact CG2-CG2 4.14Å; V603-L799 HydrophobicContact CG2-CD2 3.53Å
604Y87.8Confident80.5Confident27 Ų2756.7 Ų56.711%0.10628%0.282CS..EExtended strand (participates in β ladder)trans-116.6116.7-174.1-55.7-82.2000110.2T568 L599 G600 V606 L624 V626T568-Y604 VanDerWaalsContact O-CE1 3.32Å; T568-Y604 WeakPolarHBondContact O-CE1 3.46Å; L599-Y604 HydrophobicContact CB-CD2 4.06Å; L599-Y604 HydrophobicContact CB-CE2 3.71Å; L599-Y604 HydrophobicContact CD1-CD1 4.29Å; L599-Y604 HydrophobicContact CD1-CD2 3.86Å; L599-Y604 HydrophobicContact CD1-CE2 4.35Å; L599-Y604 HydrophobicContact CD1-CG 3.82Å; L599-Y604 HydrophobicContact CD2-CD1 4.43Å; L599-Y604 HydrophobicContact CD2-CE1 4.32Å; L599-Y604 HydrophobicContact CG-CD2 4.49Å; G600-Y604 VanDerWaalsContact O-CE2 3.29Å; G600-Y604 WeakPolarHBondContact O-CE2 3.37Å; G600-Y604 PolarHBondContact O-OH 2.79Å; Y604-V606 PolarHBondContact O-N 3.48Å; Y604-L624 PolarHBondContact N-O 3.07Å; Y604-L624 PolarHBondContact O-N 2.99Å; Y604-V626 HydrophobicContact CD2-CG2 4.24Å; Y604-V626 HydrophobicContact CE2-CB 4.47Å; Y604-V626 HydrophobicContact CE2-CG2 3.99Å
605P89.7Confident78.2Confident26 Ų2654.8 Ų54.817%0.16927%0.272CS..EExtended strand (participates in β ladder)trans-59.9129.9168.6-2332.6000111.1M567 W575 Y623M567-P605 HydrophobicContact CB-CB 4.16Å; M567-P605 HydrophobicContact CB-CG 4.26Å; M567-P605 PolarHBondContact N-O 3.22Å; M567-P605 HydrophobicContact SD-CG 4.31Å; W575-P605 HydrophobicContact CH2-CB 3.9Å; W575-P605 HydrophobicContact CZ3-CB 4.32Å; W575-P605 WeakPolarHBondContact CZ3-O 3.42Å; P605-Y623 HydrophobicContact CB-CE1 4.42Å; P605-Y623 HydrophobicContact CG-CD1 4.46Å; P605-Y623 HydrophobicContact CG-CE1 4.15Å
606V90.1Very high76.6Confident1 Ų148.9 Ų48.91%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-116.6135.6177.21780000108.6L543 V566 Y604 E621 A622 L624L543-V606 HydrophobicContact CD1-CG1 3.82Å; L543-V606 HydrophobicContact CD1-CG2 4.38Å; L543-V606 HydrophobicContact CD2-CG1 4.27Å; L543-V606 HydrophobicContact CD2-CG2 4Å; V566-V606 HydrophobicContact CG1-CG2 4.27Å; V566-V606 HydrophobicContact CG2-CG2 4.29Å; Y604-V606 PolarHBondContact O-N 3.48Å; V606-E621 WeakPolarHBondContact O-CA 3.44Å; V606-A622 PolarHBondContact N-O 2.73Å; V606-A622 PolarHBondContact O-N 3.39Å; V606-L624 HydrophobicContact CG2-CB 3.75Å
607K89.7Confident75.6Confident44 Ų4451.2 Ų51.219%0.19125%0.249CC..EExtended strand (participates in β ladder)trans-133.5119.4176.3-176172-173.6140.40109.7L565 W575 V609 S619 A620 E621L565-K607 HydrophobicContact CB-CB 4.42Å; L565-K607 WeakPolarHBondContact CB-O 3.11Å; L565-K607 PolarHBondContact N-O 3.03Å; L565-K607 PolarHBondContact O-N 3.19Å; W575-K607 HydrophobicContact CE3-CB 4.06Å; W575-K607 HydrophobicContact CH2-CB 3.59Å; W575-K607 HydrophobicContact CH2-CD 4.33Å; W575-K607 HydrophobicContact CZ2-CB 4.3Å; W575-K607 HydrophobicContact CZ2-CD 4.24Å; W575-K607 HydrophobicContact CZ3-CB 3.45Å; W575-K607 VanDerWaalsContact CZ3-CB 3.45Å; K607-V609 HydrophobicContact CD-CG2 4.27Å; K607-V609 HydrophobicContact CG-CG2 3.87Å; K607-S619 WeakPolarHBondContact CE-OG 3.26Å; K607-A620 WeakPolarHBondContact CA-O 2.94Å; K607-E621 HydrophobicContact CB-CG 4.29Å; K607-E621 HydrophobicContact CD-CG 4.29Å; K607-E621 WeakPolarHBondContact CE-OE1 3.34Å; K607-E621 HydrophobicContact CG-CG 4Å; K607-E621 IonicContact NZ-OE1 3.39Å; K607-E621 PolarHBondContact NZ-OE1 2.61Å
608M90.3Very high75Confident0 Ų047.5 Ų47.50%023%0.233CC..EExtended strand (participates in β ladder)trans-102.8128.5172.9-63.7-173.9176.200109.1V530 L543 F547 V562 D563 I564 S619 A620V530-M608 HydrophobicContact CG1-CE 4.28Å; V530-M608 HydrophobicContact CG1-SD 4.36Å; V530-M608 HydrophobicContact CG2-CB 4.12Å; V530-M608 HydrophobicContact CG2-CE 4.46Å; V530-M608 HydrophobicContact CG2-CG 3.92Å; V530-M608 HydrophobicContact CG2-SD 3.52Å; V530-M608 VanDerWaalsContact CG2-SD 3.52Å; L543-M608 HydrophobicContact CB-CE 3.52Å; L543-M608 HydrophobicContact CD1-CE 4.2Å; L543-M608 HydrophobicContact CG-CE 4.47Å; F547-M608 HydrophobicContact CE1-CB 4.3Å; F547-M608 HydrophobicContact CE2-SD 4.29Å; F547-M608 HydrophobicContact CZ-CB 3.68Å; F547-M608 HydrophobicContact CZ-CG 4.5Å; F547-M608 HydrophobicContact CZ-SD 4.02Å; V562-M608 HydrophobicContact CG1-CB 3.83Å; D563-M608 CarbonylContact O-C 3.1Å; D563-M608 WeakPolarHBondContact O-CA 3.42Å; I564-M608 HydrophobicContact CD1-CE 4.29Å; I564-M608 HydrophobicContact CG1-CE 4.39Å; I564-M608 HydrophobicContact CG1-CG 4.33Å; I564-M608 HydrophobicContact CG2-CE 4.44Å; M608-S619 CarbonylContact O-C 3.58Å; M608-S619 WeakPolarHBondContact O-CA 3.41Å; M608-S619 WeakPolarHBondContact O-CB 3.48Å; M608-A620 PolarHBondContact N-O 3.32Å; M608-A620 PolarHBondContact O-N 3.2Å
609V86.9Confident74.9Confident28 Ų2845.6 Ų45.617%0.1723%0.229CC..EExtended strand (participates in β ladder)trans-125.4128.3-172.2-174.60000110.4V562 D563 L565 K607 K611V562-V609 CarbonylContact C-O 3.59Å; V562-V609 VanDerWaalsContact CA-O 3.28Å; V562-V609 WeakPolarHBondContact CA-O 3.29Å; V562-V609 WeakPolarHBondContact CG1-O 3.49Å; D563-V609 PolarHBondContact N-O 2.76Å; D563-V609 PolarHBondContact O-N 3.17Å; L565-V609 HydrophobicContact CD1-CG2 3.75Å; K607-V609 HydrophobicContact CD-CG2 4.27Å; K607-V609 HydrophobicContact CG-CG2 3.87Å; V609-K611 PolarHBondContact O-N 3.24Å
610V83.1Confident74.7Confident5 Ų545.1 Ų45.13%0.0323%0.227CC..EExtended strand (participates in β ladder)trans-67.6117.7176.1-1770000109.7H528 F547 L557 V562 I612 T618H528-V610 WeakPolarHBondContact NE2-CG2 3.46Å; F547-V610 HydrophobicContact CD1-CG2 3.77Å; F547-V610 HydrophobicContact CE1-CG2 4.21Å; L557-V610 HydrophobicContact CD2-CB 4.5Å; L557-V610 HydrophobicContact CD2-CG1 3.87Å; L557-V610 HydrophobicContact CD2-CG2 3.74Å; V562-V610 HydrophobicContact CG2-CG2 4.31Å; V610-I612 PolarHBondContact O-N 3.38Å; V610-T618 PolarHBondContact N-O 2.8Å
611K68.6Low74.7Confident57 Ų5747.8 Ų47.825%0.24823%0.232CC..  trans-9463.5-167-168.7-147.6-15974.60112.5K561 D563 M580 V609K561-K611 HydrophobicContact CB-CB 4.22Å; K561-K611 PolarHBondContact O-N 3.23Å; D563-K611 VanDerWaalsContact OD1-CD 3.28Å; D563-K611 WeakPolarHBondContact OD1-CD 3.26Å; D563-K611 IonicContact OD1-NZ 2.67Å; D563-K611 PolarHBondContact OD1-NZ 3.01Å; D563-K611 WeakPolarHBondContact OD2-CG 3.47Å; D563-K611 IonicContact OD2-NZ 2.69Å; D563-K611 PolarHBondContact OD2-NZ 3.4Å; M580-K611 HydrophobicContact CE-CD 3.63Å; M580-K611 VanDerWaalsContact CE-CE 3.42Å; M580-K611 HydrophobicContact CG-CD 4.47Å; M580-K611 HydrophobicContact SD-CD 3.86Å; V609-K611 PolarHBondContact O-N 3.24Å
612I54.8Low74.7Confident14 Ų1444.4 Ų44.47%0.07222%0.216CC..  trans-141.6130.2-179.1-55.8175.3000112.7W512 E560 V610 R614 G615W512-I612 HydrophobicContact CB-CG2 4.19Å; W512-I612 HydrophobicContact CD2-CB 4.28Å; W512-I612 HydrophobicContact CD2-CD1 3.92Å; W512-I612 HydrophobicContact CD2-CG2 3.51Å; W512-I612 HydrophobicContact CE3-CB 4.36Å; W512-I612 HydrophobicContact CE3-CD1 3.27Å; W512-I612 HydrophobicContact CE3-CG1 4.34Å; W512-I612 HydrophobicContact CE3-CG2 4.03Å; W512-I612 HydrophobicContact CG-CG2 3.57Å; W512-I612 HydrophobicContact CH2-CD1 4.35Å; W512-I612 HydrophobicContact CZ2-CG2 4.27Å; W512-I612 HydrophobicContact CZ3-CB 4.47Å; W512-I612 HydrophobicContact CZ3-CD1 3.5Å; E560-I612 HydrophobicContact CB-CD1 3.76Å; E560-I612 HydrophobicContact CG-CD1 4.09Å; E560-I612 WeakPolarHBondContact OE2-CD1 3.45Å; V610-I612 PolarHBondContact O-N 3.38Å; I612-R614 PolarHBondContact O-N 3.13Å; I612-G615 PolarHBondContact O-N 3.08Å; I612-G615 VanDerWaalsContact O-N 3.09Å
613R46.6Very low74.9Confident90 Ų9047.8 Ų47.834%0.3422%0.224SC..THydrogen-bonded Turntrans-81.523.8-167.5-133.3-158.9-164.2141.8-1.7117P505 S507 P508 R509 E510P505-R613 PolarHBondContact O-NH2 3.33Å; S507-R613 PolarHBondContact O-NH1 3.41Å; S507-R613 PolarHBondContact O-NH2 2.94Å; P508-R613 PolarHBondContact O-NH1 3.49Å; R509-R613 VanDerWaalsContact N-NH1 3.11Å; R509-R613 VanDerWaalsContact NE-NH1 3.18Å; E510-R613 PolarHBondContact O-N 2.89Å
614R42Very low75.1Confident201 Ų20145.8 Ų45.876%0.75821%0.212SC*.THydrogen-bonded Turntrans-145.725.6160.8-77.4-158.2-174.9-165.32.3112.3I612I612-R614 PolarHBondContact O-N 3.13Å
615G40.3Very low75.2Confident11 Ų1144.6 Ų44.611%0.11321%0.207CC..SBendtrans-117.5110.2163.600000108I612 Q617I612-G615 PolarHBondContact O-N 3.08Å; I612-G615 VanDerWaalsContact O-N 3.09Å; G615-Q617 PolarHBondContact O-N 2.98Å
616D50.8Low75.2Confident80 Ų8043.3 Ų43.343%0.42820%0.199SC..  trans34.2-3.4143.463.229.3000124Y549 T618Y549-D616 WeakPolarHBondContact CE1-OD2 3.44Å; Y549-D616 VanDerWaalsContact CZ-OD2 3.26Å; Y549-D616 PolarHBondContact OH-OD2 3.09Å; D616-T618 HydrophobicContact CB-CG2 3.62Å; D616-T618 PolarHBondContact O-N 3.48Å; D616-T618 VanDerWaalsContact O-N 3.08Å; D616-T618 WeakPolarHBondContact OD1-CB 3.23Å; D616-T618 VanDerWaalsContact OD1-CG2 3.23Å; D616-T618 WeakPolarHBondContact OD1-CG2 3.4Å; D616-T618 PolarHBondContact OD1-N 2.76Å; D616-T618 PolarHBondContact OD1-OG1 2.96Å; D616-T618 PolarHBondContact OD2-OG1 3.1Å
617Q61.4Low75.1Confident159 Ų15943.3 Ų43.374%0.74320%0.199SC*.  trans4040-167-67.7-172.4-17.700112.6G615G615-Q617 PolarHBondContact O-N 2.98Å
618T74.1Confident74.8Confident10 Ų1041.9 Ų41.96%0.06120%0.195CC..  trans-73.3141.5-177.8520000110.9A526 H528 Y549 V610 D616A526-T618 HydrophobicContact CB-CG2 3.35Å; H528-T618 PolarHBondContact CD2-OG1 3.27Å; H528-T618 PolarHBondContact NE2-OG1 2.81Å; Y549-T618 PolarHBondContact OH-OG1 2.88Å; V610-T618 PolarHBondContact N-O 2.8Å; D616-T618 HydrophobicContact CB-CG2 3.62Å; D616-T618 PolarHBondContact O-N 3.48Å; D616-T618 VanDerWaalsContact O-N 3.08Å; D616-T618 WeakPolarHBondContact OD1-CB 3.23Å; D616-T618 VanDerWaalsContact OD1-CG2 3.23Å; D616-T618 WeakPolarHBondContact OD1-CG2 3.4Å; D616-T618 PolarHBondContact OD1-N 2.76Å; D616-T618 PolarHBondContact OD1-OG1 2.96Å; D616-T618 PolarHBondContact OD2-OG1 3.1Å
619S84.4Confident74.5Confident31 Ų3148.5 Ų48.522%0.21722%0.22CC..EExtended strand (participates in β ladder)trans-144.6147.3-172.265.10000109.2K607 M608K607-S619 WeakPolarHBondContact CE-OG 3.26Å; M608-S619 CarbonylContact O-C 3.58Å; M608-S619 WeakPolarHBondContact O-CA 3.41Å; M608-S619 WeakPolarHBondContact O-CB 3.48Å
620A84.6Confident74.2Confident6 Ų649.1 Ų49.15%0.0523%0.231CC..EExtended strand (participates in β ladder)trans-114.3142.3166.700000109.3H528 V530 K607 M608H528-A620 HydrophobicContact CB-CB 3.83Å; V530-A620 HydrophobicContact CB-CB 4.32Å; V530-A620 HydrophobicContact CG2-CB 3.65Å; K607-A620 WeakPolarHBondContact CA-O 2.94Å; M608-A620 PolarHBondContact N-O 3.32Å; M608-A620 PolarHBondContact O-N 3.2Å
621E86.8Confident74.3Confident82 Ų8249.1 Ų49.138%0.38323%0.231SC..EExtended strand (participates in β ladder)trans-118142.5-176.5-68172.8-179.900109V606 K607V606-E621 WeakPolarHBondContact O-CA 3.44Å; K607-E621 HydrophobicContact CB-CG 4.29Å; K607-E621 HydrophobicContact CD-CG 4.29Å; K607-E621 WeakPolarHBondContact CE-OE1 3.34Å; K607-E621 HydrophobicContact CG-CG 4Å; K607-E621 IonicContact NZ-OE1 3.39Å; K607-E621 PolarHBondContact NZ-OE1 2.61Å
622A87.6Confident75.3Confident4 Ų448 Ų483%0.03323%0.227CC..EExtended strand (participates in β ladder)trans-153.6174.1179.200000110.2V530 V606V530-A622 HydrophobicContact CB-CB 3.73Å; V530-A622 HydrophobicContact CG1-CB 3.46Å; V530-A622 VanDerWaalsContact CG1-CB 3.46Å; V606-A622 PolarHBondContact N-O 2.73Å; V606-A622 PolarHBondContact O-N 3.39Å
623Y88.3Confident77Confident86 Ų8647.4 Ų47.434%0.33722%0.223SC..EExtended strand (participates in β ladder)trans-115.9131.2174.7-65.6-86.5000110.6D532 V533 V603 P605D532-Y623 CarbonylContact C-O 3.57Å; D532-Y623 WeakPolarHBondContact CA-O 3.44Å; V533-Y623 PolarHBondContact N-O 3.1Å; V603-Y623 HydrophobicContact CG1-CD1 3.79Å; V603-Y623 HydrophobicContact CG1-CG 4.4Å; P605-Y623 HydrophobicContact CB-CE1 4.42Å; P605-Y623 HydrophobicContact CG-CD1 4.46Å; P605-Y623 HydrophobicContact CG-CE1 4.15Å
624L90Very high79.3Confident0 Ų043.1 Ų43.10%021%0.207CC..EExtended strand (participates in β ladder)trans-98.2113.9165.5171.158.7000108.1V533 A535 L543 I593 L599 Y604 V606 V626V533-L624 HydrophobicContact CB-CD1 3.8Å; V533-L624 HydrophobicContact CG1-CD1 3.6Å; A535-L624 HydrophobicContact CB-CD1 4.34Å; L543-L624 HydrophobicContact CD2-CB 4.17Å; L543-L624 HydrophobicContact CD2-CD2 4.16Å; I593-L624 HydrophobicContact CD1-CD2 3.52Å; L599-L624 HydrophobicContact CD1-CD2 3.76Å; Y604-L624 PolarHBondContact N-O 3.07Å; Y604-L624 PolarHBondContact O-N 2.99Å; V606-L624 HydrophobicContact CG2-CB 3.75Å; L624-V626 HydrophobicContact CG-CG2 4.44Å
625T89.3Confident81.8Confident1 Ų133.5 Ų33.51%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-108.2113.6-179.7-63.20000109.2V533 I534 A535 G602 V603 L627 M700V533-T625 PolarHBondContact O-N 3.25Å; I534-T625 WeakPolarHBondContact CA-O 3.48Å; A535-T625 PolarHBondContact N-O 3.2Å; G602-T625 CarbonylContact O-C 3.59Å; G602-T625 WeakPolarHBondContact O-CA 3.48Å; V603-T625 HydrophobicContact CG2-CG2 4.14Å; T625-L627 HydrophobicContact CG2-CD2 3.47Å; T625-L627 VanDerWaalsContact CG2-CD2 3.47Å; T625-L627 HydrophobicContact CG2-CG 3.96Å; T625-M700 PolarHBondContact OG1-SD 3.36Å
626V89.2Confident84.3Confident0 Ų033 Ų330%017%0.166CC..EExtended strand (participates in β ladder)trans-95.9112.9175.4-172.80000108.3A535 E537 L599 G600 L601 G602 Y604 L624 M797A535-V626 CarbonylContact O-C 3.6Å; A535-V626 WeakPolarHBondContact O-CA 3.3Å; E537-V626 HydrophobicContact CB-CG1 4.32Å; L599-V626 HydrophobicContact CB-CG2 4.25Å; G600-V626 WeakPolarHBondContact O-CB 3.5Å; G600-V626 WeakPolarHBondContact O-CG1 3.23Å; L601-V626 HydrophobicContact CD2-CG1 4.34Å; G602-V626 PolarHBondContact N-O 2.87Å; G602-V626 VanDerWaalsContact N-O 3.11Å; G602-V626 PolarHBondContact O-N 3.48Å; Y604-V626 HydrophobicContact CD2-CG2 4.24Å; Y604-V626 HydrophobicContact CE2-CB 4.47Å; Y604-V626 HydrophobicContact CE2-CG2 3.99Å; L624-V626 HydrophobicContact CG-CG2 4.44Å; V626-M797 VanDerWaalsContact O-CE 3.3Å; V626-M797 WeakPolarHBondContact O-CE 3.28Å
627L87.6Confident86.3Confident1 Ų129.2 Ų29.21%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-101.3150.3-174.4-63.1-179.8000112.7I534 A535 T625 M631 L672 I728 M797I534-L627 HydrophobicContact CG2-CD1 3.36Å; I534-L627 HydrophobicContact CG2-CG 3.88Å; A535-L627 PolarHBondContact O-N 3.48Å; T625-L627 HydrophobicContact CG2-CD2 3.47Å; T625-L627 VanDerWaalsContact CG2-CD2 3.47Å; T625-L627 HydrophobicContact CG2-CG 3.96Å; L627-M631 HydrophobicContact CD1-CB 4.49Å; L627-M631 HydrophobicContact CD2-CG 4.4Å; L627-L672 HydrophobicContact CD1-CD2 3.52Å; L627-L672 HydrophobicContact CD2-CD2 4.21Å; L627-I728 HydrophobicContact CD1-CD1 3.64Å; L627-I728 HydrophobicContact CD1-CG1 4.07Å; L627-M797 HydrophobicContact CD2-CE 3.52Å
628P84.6Confident87.6Confident14 Ų1421.6 Ų21.69%0.09111%0.11CC..PPolyproline II helixtrans-69.3149.6163.931.2-34.4000110.5L601 M631 V795L601-P628 HydrophobicContact CD1-CB 4.34Å; L601-P628 HydrophobicContact CD2-CB 4.32Å; P628-M631 HydrophobicContact CG-CB 4.42Å; P628-M631 HydrophobicContact CG-SD 4.47Å; P628-M631 PolarHBondContact O-N 2.89Å; P628-V795 HydrophobicContact CB-CB 4.34Å; P628-V795 HydrophobicContact CB-CG1 3.77Å; P628-V795 HydrophobicContact CG-CB 4.27Å; P628-V795 HydrophobicContact CG-CG1 3.78Å
629R83.1Confident88Confident139 Ų13922.7 Ų22.753%0.52512%0.115SC..THydrogen-bonded Turntrans-61.1138.7175.2-59.8-177.5-179.1-129.315.5110.1D538 H727D538-R629 IonicContact OD2-CZ 3.29Å; D538-R629 VanDerWaalsContact OD2-CZ 3.29Å; D538-R629 IonicContact OD2-NE 3.05Å; D538-R629 PolarHBondContact OD2-NE 2.8Å; D538-R629 IonicContact OD2-NH2 3.98Å; D538-R629 PolarHBondContact OD2-NH2 2.91Å; R629-H727 HydrophobicContact CB-CB 4.49Å; R629-H727 PolarHBondContact NH1-NE2 2.98Å
630G81.3Confident87.5Confident40 Ų4022.3 Ų22.341%0.41212%0.116SC..THydrogen-bonded Turntrans80.98.7178.800000115.3E632 H727G630-E632 PolarHBondContact O-N 2.79Å; G630-H727 WeakPolarHBondContact CA-O 3.31Å; G630-H727 PolarHBondContact N-O 2.82Å
631M84.7Confident87.3Confident6 Ų622 Ų223%0.0311%0.114CC..  trans-53.9131.7176.6-175.764-174.400111.3L627 P628 L672 I728 K729L627-M631 HydrophobicContact CD1-CB 4.49Å; L627-M631 HydrophobicContact CD2-CG 4.4Å; P628-M631 HydrophobicContact CG-CB 4.42Å; P628-M631 HydrophobicContact CG-SD 4.47Å; P628-M631 PolarHBondContact O-N 2.89Å; M631-L672 HydrophobicContact CE-CB 4.03Å; M631-L672 HydrophobicContact CG-CB 4.32Å; M631-I728 WeakPolarHBondContact O-CG2 3.33Å; M631-K729 PolarHBondContact O-N 3.26Å
632E89.3Confident87.2Confident34 Ų3418.1 Ų18.116%0.15910%0.096CC..EExtended strand (participates in β ladder)trans-87.4131.7178.6-59.8-168.9123.100111.1G630 Y671 L672 K729G630-E632 PolarHBondContact O-N 2.79Å; E632-Y671 HydrophobicContact CB-CD1 3.7Å; E632-Y671 HydrophobicContact CB-CE1 3.73Å; E632-L672 PolarHBondContact O-N 3.48Å; E632-K729 WeakPolarHBondContact CA-O 3.47Å; E632-K729 HydrophobicContact CG-CB 4.41Å; E632-K729 HydrophobicContact CG-CD 4.24Å; E632-K729 WeakPolarHBondContact OE1-CE 3.44Å; E632-K729 IonicContact OE1-NZ 2.68Å; E632-K729 PolarHBondContact OE1-NZ 3.11Å
633C91.8Very high86.1Confident0 Ų018 Ų180%09%0.094CC..EExtended strand (participates in β ladder)trans-127.6162.9-178.481.70000113.1L672 I674 I728 K729 N731C633-L672 CarbonylContact C-O 3.57Å; C633-L672 WeakPolarHBondContact CA-O 3.4Å; C633-L672 HydrophobicContact CB-CB 3.83Å; C633-L672 HydrophobicContact CB-CD2 4.21Å; C633-L672 HydrophobicContact CB-CG 4.22Å; C633-L672 VanDerWaalsContact CB-O 3.29Å; C633-L672 WeakPolarHBondContact CB-O 3.27Å; C633-I674 HydrophobicContact CB-CD1 4.02Å; C633-I674 HydrophobicContact CB-CG1 4.37Å; C633-I728 HydrophobicContact CB-CG2 3.77Å; C633-I728 WeakPolarHBondContact SG-CG2 3.3Å; C633-K729 PolarHBondContact N-O 3.44Å; C633-N731 PolarHBondContact O-N 3.03Å
634V94.1Very high84.5Confident0 Ų016.8 Ų16.80%010%0.102CC..EExtended strand (participates in β ladder)trans-124125.8169.6-177.50000108.3F636 W666 Y671 L672 I674 S732 Y734V634-F636 HydrophobicContact CB-CE2 3.92Å; V634-F636 HydrophobicContact CB-CZ 4.42Å; V634-F636 HydrophobicContact CG1-CD2 4.13Å; V634-F636 HydrophobicContact CG1-CE1 4.34Å; V634-F636 HydrophobicContact CG1-CE2 3.36Å; V634-F636 HydrophobicContact CG1-CZ 3.48Å; V634-F636 VanDerWaalsContact CG1-CZ 3.48Å; V634-W666 HydrophobicContact CB-CG 4.46Å; V634-W666 HydrophobicContact CG1-CD2 4.5Å; V634-W666 HydrophobicContact CG1-CG 4.26Å; V634-W666 HydrophobicContact CG2-CB 4.16Å; V634-W666 HydrophobicContact CG2-CD2 3.8Å; V634-W666 HydrophobicContact CG2-CE3 3.75Å; V634-W666 HydrophobicContact CG2-CG 3.98Å; V634-W666 HydrophobicContact CG2-CZ3 4.42Å; V634-Y671 HydrophobicContact CG2-CD1 4.19Å; V634-Y671 HydrophobicContact CG2-CG 4.03Å; V634-L672 PolarHBondContact N-O 2.83Å; V634-I674 PolarHBondContact O-N 3.23Å; V634-S732 WeakPolarHBondContact CA-O 3.46Å; V634-S732 WeakPolarHBondContact CG1-O 3.46Å; V634-Y734 HydrophobicContact CG1-CD2 3.76Å; V634-Y734 HydrophobicContact CG1-CE2 3.65Å
635V94.4Very high82.6Confident0 Ų019.1 Ų19.10%012%0.119CC..EExtended strand (participates in β ladder)trans-98.3131.3-177.2179.50000109.7I674 I676 L719 I730 S732 A733 Y734 Y743V635-I674 CarbonylContact C-O 3.57Å; V635-I674 WeakPolarHBondContact CA-O 3.49Å; V635-I674 HydrophobicContact CG2-CB 4.3Å; V635-I674 HydrophobicContact CG2-CG2 4.49Å; V635-I676 HydrophobicContact CG1-CG2 3.84Å; V635-L719 HydrophobicContact CG1-CD1 4.26Å; V635-L719 HydrophobicContact CG1-CD2 4.23Å; V635-L719 HydrophobicContact CG2-CD2 4.13Å; V635-I730 HydrophobicContact CG2-CD1 3.99Å; V635-I730 HydrophobicContact CG2-CG1 4.08Å; V635-I730 HydrophobicContact CG2-CG2 4.08Å; V635-S732 PolarHBondContact N-O 2.99Å; V635-A733 HydrophobicContact CB-CB 4.47Å; V635-A733 CarbonylContact O-C 3.52Å; V635-A733 WeakPolarHBondContact O-CA 3.47Å; V635-Y734 PolarHBondContact O-N 3.06Å; V635-Y743 HydrophobicContact CG1-CE1 4.33Å
636F94.1Very high80.7Confident0 Ų024.6 Ų24.60%015%0.152CC..EExtended strand (participates in β ladder)trans-122.3113.2175.7-65-88.7000110.4V634 F642 V662 V663 W666 I673 I674 Y675 I676 Y734V634-F636 HydrophobicContact CB-CE2 3.92Å; V634-F636 HydrophobicContact CB-CZ 4.42Å; V634-F636 HydrophobicContact CG1-CD2 4.13Å; V634-F636 HydrophobicContact CG1-CE1 4.34Å; V634-F636 HydrophobicContact CG1-CE2 3.36Å; V634-F636 HydrophobicContact CG1-CZ 3.48Å; V634-F636 VanDerWaalsContact CG1-CZ 3.48Å; F636-F642 HydrophobicContact CB-CE1 4.45Å; F636-F642 HydrophobicContact CB-CE2 3.81Å; F636-F642 HydrophobicContact CB-CZ 3.51Å; F636-F642 AromaticContact CD1-CE1 3.75Å; F636-F642 HydrophobicContact CD1-CE1 3.75Å; F636-F642 HydrophobicContact CD1-CE2 4.49Å; F636-F642 AromaticContact CD1-CZ 3.39Å; F636-F642 HydrophobicContact CD1-CZ 3.39Å; F636-F642 HydrophobicContact CE1-CE1 4.44Å; F636-F642 HydrophobicContact CE1-CZ 4.27Å; F636-F642 HydrophobicContact CG-CE1 4.4Å; F636-F642 HydrophobicContact CG-CE2 4.36Å; F636-F642 AromaticContact CG-CZ 3.6Å; F636-F642 HydrophobicContact CG-CZ 3.6Å; F636-V662 HydrophobicContact CE1-CG1 4.4Å; F636-V663 HydrophobicContact CD1-CG2 3.93Å; F636-V663 HydrophobicContact CD2-CG1 4.47Å; F636-V663 HydrophobicContact CD2-CG2 4.29Å; F636-V663 HydrophobicContact CE1-CG2 3.67Å; F636-V663 HydrophobicContact CE2-CB 4.43Å; F636-V663 HydrophobicContact CE2-CG1 4.04Å; F636-V663 HydrophobicContact CE2-CG2 4.04Å; F636-V663 HydrophobicContact CG-CG2 4.24Å; F636-V663 HydrophobicContact CZ-CB 4.25Å; F636-V663 HydrophobicContact CZ-CG1 4.35Å; F636-V663 HydrophobicContact CZ-CG2 3.73Å; F636-W666 AromaticContact CZ-CD1 3.85Å; F636-I673 HydrophobicContact CD2-CG2 4.04Å; F636-I673 HydrophobicContact CE2-CD1 4.18Å; F636-I673 HydrophobicContact CE2-CG2 4.19Å; F636-I674 PolarHBondContact N-O 3.34Å; F636-Y675 HydrophobicContact CB-CD1 4.05Å; F636-Y675 HydrophobicContact CB-CE1 4.46Å; F636-Y675 WeakPolarHBondContact O-CA 3.47Å; F636-I676 PolarHBondContact O-N 2.67Å; F636-Y734 AromaticContact CD1-CD2 3.73Å; F636-Y734 HydrophobicContact CD1-CD2 3.73Å; F636-Y734 AromaticContact CD1-CG 3.73Å; F636-Y734 HydrophobicContact CD1-CG 3.73Å; F636-Y734 HydrophobicContact CE1-CD1 4.27Å; F636-Y734 AromaticContact CE1-CD2 3.27Å; F636-Y734 HydrophobicContact CE1-CD2 3.27Å; F636-Y734 AromaticContact CE1-CE2 3.83Å; F636-Y734 HydrophobicContact CE1-CE2 3.83Å; F636-Y734 AromaticContact CE1-CG 3.54Å; F636-Y734 HydrophobicContact CE1-CG 3.54Å; F636-Y734 AromaticContact CZ-CD2 3.76Å; F636-Y734 HydrophobicContact CZ-CD2 3.76Å; F636-Y734 HydrophobicContact CZ-CE2 4.01Å; F636-Y734 HydrophobicContact CZ-CG 4.46Å
637S91.8Very high78.6Confident0 Ų027.1 Ų27.10%017%0.17CC..EExtended strand (participates in β ladder)trans-62.6136.9161.9-166.20000108.7S641 I676 K715 Y734 D739S637-S641 WeakPolarHBondContact O-CB 3.41Å; S637-S641 PolarHBondContact O-OG 2.8Å; S637-I676 CarbonylContact C-O 3.56Å; S637-I676 VanDerWaalsContact CA-O 3.28Å; S637-I676 WeakPolarHBondContact CA-O 3.5Å; S637-K715 PolarHBondContact OG-NZ 3.23Å; S637-Y734 WeakPolarHBondContact CB-O 3.46Å; S637-Y734 PolarHBondContact N-O 3.03Å; S637-D739 WeakPolarHBondContact CB-OD2 3.32Å; S637-D739 PolarHBondContact OG-OD1 2.99Å; S637-D739 VanDerWaalsContact OG-OD1 3.12Å; S637-D739 PolarHBondContact OG-OD2 2.82Å
638I88.3Confident76.7Confident0 Ų027.4 Ų27.40%017%0.171CC..  trans-83.6-46.3173.9-59.6-179.2000110.3G640 F642 I676 V687 W690 L691 I701I638-G640 PolarHBondContact O-N 2.91Å; I638-F642 PolarHBondContact O-N 3.15Å; I638-I676 PolarHBondContact N-O 3.45Å; I638-V687 HydrophobicContact CD1-CG1 3.63Å; I638-W690 HydrophobicContact CG2-CZ3 4.3Å; I638-L691 HydrophobicContact CD1-CD1 4.05Å; I638-I701 HydrophobicContact CD1-CG2 4.31Å
639D81.9Confident74.7Confident32 Ų3234.5 Ų34.517%0.17121%0.205CC..THydrogen-bonded Turntrans-71.2119.2-169.3-61.3-70.2000112.7S641 T677 G678 R679D639-S641 PolarHBondContact O-N 3.27Å; D639-T677 WeakPolarHBondContact OD2-CA 3.1Å; D639-T677 WeakPolarHBondContact OD2-CB 3.38Å; D639-T677 PolarHBondContact OD2-OG1 2.79Å; D639-G678 PolarHBondContact OD2-N 3.48Å; D639-R679 IonicContact OD1-CZ 3.92Å; D639-R679 IonicContact OD1-NE 3.57Å; D639-R679 PolarHBondContact OD1-NE 2.84Å; D639-R679 IonicContact OD1-NH2 3.61Å; D639-R679 PolarHBondContact OD1-NH2 2.9Å
640G75.5Confident73.1Confident23 Ų2329.5 Ų29.524%0.23720%0.197CC..THydrogen-bonded Turntrans72.7-17.9-179.200000115.3I638 A643 R656I638-G640 PolarHBondContact O-N 2.91Å; G640-A643 CarbonylContact C-O 3.54Å; G640-A643 WeakPolarHBondContact CA-O 3.49Å; G640-R656 PolarHBondContact O-NH2 2.95Å
641S80.8Confident71.3Confident0 Ų033 Ų330%022%0.215CC..THydrogen-bonded Turntrans-80.8-64.3177.1172.30000110.9S637 D639 R656 Y774S637-S641 WeakPolarHBondContact O-CB 3.41Å; S637-S641 PolarHBondContact O-OG 2.8Å; D639-S641 PolarHBondContact O-N 3.27Å; S641-R656 WeakPolarHBondContact O-CD 3.19Å; S641-R656 PolarHBondContact O-NE 3.22Å; S641-Y774 PolarHBondContact OG-OH 2.95Å
642F82.8Confident69.8Low0 Ų037.3 Ų37.30%024%0.238CC..THydrogen-bonded Turntrans-88.3-42.6176.5-62.4-33.3000113.5F636 I638 R656 A659 V663 Y675 W690 F696 Y774F636-F642 HydrophobicContact CB-CE1 4.45Å; F636-F642 HydrophobicContact CB-CE2 3.81Å; F636-F642 HydrophobicContact CB-CZ 3.51Å; F636-F642 AromaticContact CD1-CE1 3.75Å; F636-F642 HydrophobicContact CD1-CE1 3.75Å; F636-F642 HydrophobicContact CD1-CE2 4.49Å; F636-F642 AromaticContact CD1-CZ 3.39Å; F636-F642 HydrophobicContact CD1-CZ 3.39Å; F636-F642 HydrophobicContact CE1-CE1 4.44Å; F636-F642 HydrophobicContact CE1-CZ 4.27Å; F636-F642 HydrophobicContact CG-CE1 4.4Å; F636-F642 HydrophobicContact CG-CE2 4.36Å; F636-F642 AromaticContact CG-CZ 3.6Å; F636-F642 HydrophobicContact CG-CZ 3.6Å; I638-F642 PolarHBondContact O-N 3.15Å; F642-R656 PolarHBondContact O-N 2.86Å; F642-A659 HydrophobicContact CD1-CB 3.81Å; F642-A659 HydrophobicContact CE1-CB 4.22Å; F642-V663 HydrophobicContact CE1-CG2 3.95Å; F642-V663 HydrophobicContact CE2-CG2 4.48Å; F642-V663 HydrophobicContact CZ-CG2 3.49Å; F642-V663 VanDerWaalsContact CZ-CG2 3.49Å; F642-Y675 AromaticContact CE2-CD1 3.83Å; F642-Y675 HydrophobicContact CE2-CD1 3.83Å; F642-Y675 AromaticContact CE2-CE1 3.71Å; F642-Y675 HydrophobicContact CE2-CE1 3.71Å; F642-Y675 HydrophobicContact CZ-CE1 4.19Å; F642-W690 HydrophobicContact CB-CH2 3.96Å; F642-W690 HydrophobicContact CB-CZ3 4.35Å; F642-F696 HydrophobicContact CB-CZ 4.12Å; F642-F696 HydrophobicContact CD1-CE1 4.13Å; F642-F696 HydrophobicContact CD1-CZ 4.35Å; F642-F696 AromaticContact CD2-CE1 3.68Å; F642-F696 HydrophobicContact CD2-CE1 3.68Å; F642-F696 AromaticContact CD2-CZ 3.94Å; F642-F696 HydrophobicContact CD2-CZ 3.94Å; F642-F696 HydrophobicContact CE1-CE1 4.08Å; F642-F696 HydrophobicContact CE2-CD1 4.21Å; F642-F696 AromaticContact CE2-CE1 3.65Å; F642-F696 HydrophobicContact CE2-CE1 3.65Å; F642-F696 HydrophobicContact CE2-CZ 4.37Å; F642-F696 AromaticContact CG-CE1 3.92Å; F642-F696 HydrophobicContact CG-CE1 3.92Å; F642-F696 AromaticContact CG-CZ 3.91Å; F642-F696 HydrophobicContact CG-CZ 3.91Å; F642-F696 HydrophobicContact CZ-CD1 4.49Å; F642-F696 AromaticContact CZ-CE1 3.83Å; F642-F696 HydrophobicContact CZ-CE1 3.83Å; F642-Y774 HydrophobicContact CD1-CE2 4.23Å
643A66.3Low68.5Low1 Ų135.9 Ų35.91%0.00823%0.232CC..BIsolated β-bridgetrans-80.7127.6177.200000110.4G640 S645 P653 W690G640-A643 CarbonylContact C-O 3.54Å; G640-A643 WeakPolarHBondContact CA-O 3.49Å; A643-S645 VanDerWaalsContact C-N 3.29Å; A643-S645 PolarHBondContact O-N 3.22Å; A643-P653 HydrophobicContact CB-CB 4.06Å; A643-W690 HydrophobicContact CB-CH2 4.34Å; A643-W690 HydrophobicContact CB-CZ2 4.39Å
644A52.9Low67.5Low61 Ų6144 Ų4450%0.50427%0.267SS..SBendtrans-74-16178.500000114.1K654A644-K654 WeakPolarHBondContact CB-O 3.4Å; A644-K654 PolarHBondContact N-O 3.18Å; A644-K654 VanDerWaalsContact N-O 3.12Å
645S51.9Low66.9Low49 Ų4945.5 Ų45.534%0.34328%0.276SS..SBendtrans-126.2158.1177.782.20000111.7A643 S647A643-S645 VanDerWaalsContact C-N 3.29Å; A643-S645 PolarHBondContact O-N 3.22Å; S645-S647 VanDerWaalsContact C-N 3.29Å
646V49.6Very low66.4Low117 Ų11749.1 Ų49.171%0.70929%0.29SS*.SBendtrans-82.5-11-178.8-165.40000111.9I648 R679V646-I648 PolarHBondContact O-N 3.1Å; V646-R679 PolarHBondContact O-NH2 2.88Å
647S44.3Very low65.8Low53 Ų5354.4 Ų54.437%0.37132%0.324SS..  trans-100.890.2-168.4-169.70000113.1S645 M649 G650S645-S647 VanDerWaalsContact C-N 3.29Å; S647-M649 PolarHBondContact O-N 3.34Å; S647-M649 PolarHBondContact OG-N 3.15Å; S647-G650 PolarHBondContact OG-N 2.81Å
648I47Very low65.4Low6 Ų655.1 Ų55.13%0.03133%0.332CS..SBendtrans-83.621.8157.4-44.7-169.4000110V646 P653 R679 R686 V687V646-I648 PolarHBondContact O-N 3.1Å; I648-P653 HydrophobicContact CD1-CG 4.38Å; I648-P653 HydrophobicContact CG1-CG 4.06Å; I648-R679 VanDerWaalsContact CG1-CZ 3.43Å; I648-R686 HydrophobicContact CG2-CG 3.98Å; I648-R686 PolarHBondContact O-NE 2.95Å; I648-R686 PolarHBondContact O-NH1 3.28Å; I648-R686 VanDerWaalsContact O-NH1 3.17Å; I648-R686 PolarHBondContact O-NH2 3.42Å; I648-V687 HydrophobicContact CD1-CG2 4.42Å
649M43.3Very low65.5Low164 Ų16455.2 Ų55.281%0.80833%0.332SS*.SBendtrans-105.5-23.6168-69.4177.266.400111.4S647S647-M649 PolarHBondContact O-N 3.34Å; S647-M649 PolarHBondContact OG-N 3.15Å
650G49.4Very low65.9Low34 Ų3454.6 Ų54.635%0.35133%0.33SS..SBendtrans-97.4-160.5172.600000113.5S647S647-G650 PolarHBondContact OG-N 2.81Å
651S42.3Very low66.5Low114 Ų11456.8 Ų56.880%0.79734%0.336SS*.SBendtrans-59.3141.3178.639.80000112.5
652D53.6Low67Low95 Ų9556.8 Ų56.851%0.50834%0.336SS..  trans-29.4115.9-175.2-177.532.4000115.1K654 W690 H694D652-K654 PolarHBondContact O-N 3.06Å; D652-K654 VanDerWaalsContact O-N 3.14Å; D652-W690 PolarHBondContact OD1-NE1 3.37Å; D652-H694 IonicContact OD1-NE2 3.92Å
653P62.7Low67.4Low4 Ų456.8 Ų56.83%0.02634%0.336CS..  trans-73.1110.2-176.832.6-37.5000110.2A643 I648 V655 W690A643-P653 HydrophobicContact CB-CB 4.06Å; I648-P653 HydrophobicContact CD1-CG 4.38Å; I648-P653 HydrophobicContact CG1-CG 4.06Å; P653-V655 PolarHBondContact O-N 3.29Å; P653-W690 HydrophobicContact CG-CZ2 4.27Å; P653-W690 VanDerWaalsContact O-CZ2 3.3Å; P653-W690 WeakPolarHBondContact O-CZ2 3.5Å; P653-W690 PolarHBondContact O-NE1 2.78Å
654K69.7Low68.5Low170 Ų17060.7 Ų60.774%0.73935%0.351SS*.PPolyproline II helixtrans-52.4129.1177.3-63.2-175.3178.7-176.40112A644 D652A644-K654 WeakPolarHBondContact CB-O 3.4Å; A644-K654 PolarHBondContact N-O 3.18Å; A644-K654 VanDerWaalsContact N-O 3.12Å; D652-K654 PolarHBondContact O-N 3.06Å; D652-K654 VanDerWaalsContact O-N 3.14Å
655V82.1Confident70.2Confident33 Ų3359.2 Ų59.220%0.233%0.333CS..BIsolated β-bridgetrans-65.5140.8169.1176.30000110.2P653 A659 V660 W690 H694 F696P653-V655 PolarHBondContact O-N 3.29Å; V655-A659 HydrophobicContact CG1-CB 4.26Å; V655-V660 HydrophobicContact CG1-CG2 4.18Å; V655-W690 HydrophobicContact CB-CZ2 4.46Å; V655-W690 HydrophobicContact CG2-CH2 3.7Å; V655-W690 HydrophobicContact CG2-CZ2 3.35Å; V655-H694 HydrophobicContact CG2-CB 3.79Å; V655-H694 WeakPolarHBondContact CG2-CD2 3.36Å; V655-F696 HydrophobicContact CG1-CE2 4.23Å; V655-F696 HydrophobicContact CG1-CZ 4.08Å; V655-F696 HydrophobicContact CG2-CE2 4.02Å
656R83.3Confident72Confident75 Ų7557.1 Ų57.128%0.28332%0.318SS..PPolyproline II helixtrans-69.8130.4170.8-64.8-170.7-166.3-86.70.6111.4G640 S641 F642 G658 A659 Y774G640-R656 PolarHBondContact O-NH2 2.95Å; S641-R656 WeakPolarHBondContact O-CD 3.19Å; S641-R656 PolarHBondContact O-NE 3.22Å; F642-R656 PolarHBondContact O-N 2.86Å; R656-G658 PolarHBondContact O-N 2.72Å; R656-A659 HydrophobicContact CB-CB 4.43Å; R656-A659 WeakPolarHBondContact O-CB 3.25Å; R656-A659 PolarHBondContact O-N 3.3Å; R656-A659 VanDerWaalsContact O-N 3.15Å; R656-Y774 HydrophobicContact CB-CD2 4.12Å; R656-Y774 HydrophobicContact CB-CE2 4.4Å
657P82.2Confident73.7Confident112 Ų11253 Ų5373%0.72729%0.29SS*.THydrogen-bonded Turntrans-52.6137.3176.8-2835.5000113.2A659P657-A659 PolarHBondContact O-N 3.15Å
658G84.4Confident75.6Confident15 Ų1554.6 Ų54.616%0.15530%0.295CS..THydrogen-bonded Turntrans76.7-7.6-178.300000115.9R656 V660 D661 V662 Y774R656-G658 PolarHBondContact O-N 2.72Å; G658-V660 PolarHBondContact O-N 2.99Å; G658-D661 PolarHBondContact O-N 3.15Å; G658-V662 PolarHBondContact O-N 2.6Å; G658-Y774 VanDerWaalsContact C-CB 3.48Å
659A89.3Confident77.3Confident1 Ų156.4 Ų56.41%0.00830%0.304CS..Hα-helixtrans-60.3-46.2-17900000112.4F642 V655 R656 P657 D661 V662 V663 Y774F642-A659 HydrophobicContact CD1-CB 3.81Å; F642-A659 HydrophobicContact CE1-CB 4.22Å; V655-A659 HydrophobicContact CG1-CB 4.26Å; R656-A659 HydrophobicContact CB-CB 4.43Å; R656-A659 WeakPolarHBondContact O-CB 3.25Å; R656-A659 PolarHBondContact O-N 3.3Å; R656-A659 VanDerWaalsContact O-N 3.15Å; P657-A659 PolarHBondContact O-N 3.15Å; A659-D661 VanDerWaalsContact C-N 3.28Å; A659-D661 PolarHBondContact O-N 3.32Å; A659-V662 PolarHBondContact O-N 3.34Å; A659-V663 WeakPolarHBondContact O-CG2 3.41Å; A659-V663 PolarHBondContact O-N 2.9Å; A659-Y774 HydrophobicContact CB-CD2 3.53Å; A659-Y774 HydrophobicContact CB-CE2 3.74Å; A659-Y774 HydrophobicContact CB-CG 4.18Å
660V90.1Very high79.1Confident19 Ų1949.8 Ų49.812%0.11528%0.278CS..Hα-helixtrans-61-39.9179.2-177.50000110.9V655 G658 V663 R664 N695 F696V655-V660 HydrophobicContact CG1-CG2 4.18Å; G658-V660 PolarHBondContact O-N 2.99Å; V660-V663 PolarHBondContact O-N 2.96Å; V660-R664 WeakPolarHBondContact O-CB 3.34Å; V660-R664 PolarHBondContact O-N 2.75Å; V660-N695 WeakPolarHBondContact CG1-O 3.38Å; V660-F696 HydrophobicContact CG2-CD1 4.33Å; V660-F696 HydrophobicContact CG2-CD2 4.11Å; V660-F696 HydrophobicContact CG2-CE1 4.03Å; V660-F696 HydrophobicContact CG2-CE2 3.8Å; V660-F696 HydrophobicContact CG2-CG 4.37Å; V660-F696 HydrophobicContact CG2-CZ 3.76Å
661D88.8Confident80.9Confident70 Ų7049.5 Ų49.537%0.37427%0.267SS..Hα-helixtrans-75-33.1-175.8-52.8-56.8000112.5G658 A659 R664 H665 L778G658-D661 PolarHBondContact O-N 3.15Å; A659-D661 VanDerWaalsContact C-N 3.28Å; A659-D661 PolarHBondContact O-N 3.32Å; D661-R664 PolarHBondContact O-N 2.92Å; D661-R664 IonicContact OD1-NH1 3.75Å; D661-R664 PolarHBondContact OD1-NH1 3.03Å; D661-H665 WeakPolarHBondContact O-CB 3.3Å; D661-H665 PolarHBondContact O-N 2.95Å; D661-L778 HydrophobicContact CB-CD2 3.65Å
662V91.6Very high83Confident0 Ų044 Ų440%023%0.229CC..Hα-helixtrans-61.9-45.9168.2170.90000110.7F636 G658 A659 R664 H665 W666 Y734 Y774 L778 L781F636-V662 HydrophobicContact CE1-CG1 4.4Å; G658-V662 PolarHBondContact O-N 2.6Å; A659-V662 PolarHBondContact O-N 3.34Å; V662-R664 VanDerWaalsContact C-N 3.34Å; V662-R664 PolarHBondContact O-N 2.97Å; V662-H665 PolarHBondContact O-N 2.96Å; V662-W666 PolarHBondContact O-N 3.13Å; V662-Y734 HydrophobicContact CG1-CE1 4.18Å; V662-Y774 HydrophobicContact CB-CD1 4.24Å; V662-Y774 HydrophobicContact CG1-CD1 4.34Å; V662-Y774 HydrophobicContact CG2-CD1 4Å; V662-Y774 HydrophobicContact CG2-CG 4.46Å; V662-Y774 WeakPolarHBondContact CG2-O 3.5Å; V662-L778 HydrophobicContact CG2-CB 3.82Å; V662-L778 HydrophobicContact CG2-CD1 4.21Å; V662-L781 HydrophobicContact CG1-CD1 4.17Å
663V91.3Very high84.8Confident0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-63.4-42177.1-174.70000111.2F636 F642 A659 V660 H665 W666 Q667 I673 Y675 F696 P697F636-V663 HydrophobicContact CD1-CG2 3.93Å; F636-V663 HydrophobicContact CD2-CG1 4.47Å; F636-V663 HydrophobicContact CD2-CG2 4.29Å; F636-V663 HydrophobicContact CE1-CG2 3.67Å; F636-V663 HydrophobicContact CE2-CB 4.43Å; F636-V663 HydrophobicContact CE2-CG1 4.04Å; F636-V663 HydrophobicContact CE2-CG2 4.04Å; F636-V663 HydrophobicContact CG-CG2 4.24Å; F636-V663 HydrophobicContact CZ-CB 4.25Å; F636-V663 HydrophobicContact CZ-CG1 4.35Å; F636-V663 HydrophobicContact CZ-CG2 3.73Å; F642-V663 HydrophobicContact CE1-CG2 3.95Å; F642-V663 HydrophobicContact CE2-CG2 4.48Å; F642-V663 HydrophobicContact CZ-CG2 3.49Å; F642-V663 VanDerWaalsContact CZ-CG2 3.49Å; A659-V663 WeakPolarHBondContact O-CG2 3.41Å; A659-V663 PolarHBondContact O-N 2.9Å; V660-V663 PolarHBondContact O-N 2.96Å; V663-H665 PolarHBondContact O-N 3.03Å; V663-W666 PolarHBondContact O-N 2.76Å; V663-Q667 PolarHBondContact O-N 2.84Å; V663-I673 HydrophobicContact CG1-CD1 4.2Å; V663-I673 HydrophobicContact CG1-CG1 4.25Å; V663-I673 HydrophobicContact CG1-CG2 3.68Å; V663-Y675 HydrophobicContact CG1-CE1 4.3Å; V663-Y675 WeakPolarHBondContact CG1-OH 3.43Å; V663-F696 HydrophobicContact CG2-CD1 4.38Å; V663-F696 HydrophobicContact CG2-CE1 4.37Å; V663-P697 HydrophobicContact CB-CG 4.28Å; V663-P697 HydrophobicContact CG1-CB 4.42Å; V663-P697 HydrophobicContact CG1-CG 4Å
664R89.3Confident86.2Confident83 Ų8339.4 Ų39.431%0.31320%0.204SC..Hα-helixtrans-61.5-42.7177.2-171.1174.7-65.7108.53.7111.8V660 D661 V662 W666 Q667 D668 N695 P697V660-R664 WeakPolarHBondContact O-CB 3.34Å; V660-R664 PolarHBondContact O-N 2.75Å; D661-R664 PolarHBondContact O-N 2.92Å; D661-R664 IonicContact OD1-NH1 3.75Å; D661-R664 PolarHBondContact OD1-NH1 3.03Å; V662-R664 VanDerWaalsContact C-N 3.34Å; V662-R664 PolarHBondContact O-N 2.97Å; R664-W666 PolarHBondContact O-N 3.42Å; R664-Q667 PolarHBondContact O-N 2.87Å; R664-Q667 VanDerWaalsContact O-N 3.14Å; R664-D668 WeakPolarHBondContact O-CB 3.31Å; R664-D668 PolarHBondContact O-N 3.39Å; R664-N695 PolarHBondContact NH2-O 3.41Å; R664-N695 VanDerWaalsContact NH2-O 3.15Å; R664-P697 HydrophobicContact CB-CG 3.95Å
665H88.2Confident87.3Confident29 Ų2931.3 Ų31.313%0.13417%0.169CC..Hα-helixtrans-57.3-44.9174.8177.870.3000112.5D661 V662 V663 D668 L669 L778 H785D661-H665 WeakPolarHBondContact O-CB 3.3Å; D661-H665 PolarHBondContact O-N 2.95Å; V662-H665 PolarHBondContact O-N 2.96Å; V663-H665 PolarHBondContact O-N 3.03Å; H665-D668 PolarHBondContact O-N 3.34Å; H665-L669 WeakPolarHBondContact O-CG 3.44Å; H665-L669 PolarHBondContact O-N 3.1Å; H665-L778 HydrophobicContact CB-CD1 3.8Å; H665-H785 AromaticContact NE2-ND1 3.79Å
666W89.2Confident87.7Confident5 Ų530 Ų302%0.01916%0.16CC..Hα-helixtrans-67.3-35.6175.6-70109.7000112.9V634 F636 V662 V663 R664 L669 G670 Y671 I673 N731 Y734 L781 H785V634-W666 HydrophobicContact CB-CG 4.46Å; V634-W666 HydrophobicContact CG1-CD2 4.5Å; V634-W666 HydrophobicContact CG1-CG 4.26Å; V634-W666 HydrophobicContact CG2-CB 4.16Å; V634-W666 HydrophobicContact CG2-CD2 3.8Å; V634-W666 HydrophobicContact CG2-CE3 3.75Å; V634-W666 HydrophobicContact CG2-CG 3.98Å; V634-W666 HydrophobicContact CG2-CZ3 4.42Å; F636-W666 AromaticContact CZ-CD1 3.85Å; V662-W666 PolarHBondContact O-N 3.13Å; V663-W666 PolarHBondContact O-N 2.76Å; R664-W666 PolarHBondContact O-N 3.42Å; W666-L669 HydrophobicContact CE3-CD1 4.17Å; W666-L669 HydrophobicContact CZ3-CD1 4.36Å; W666-L669 PolarHBondContact O-N 2.74Å; W666-G670 PolarHBondContact O-N 2.99Å; W666-Y671 AromaticContact CE3-CD2 3.59Å; W666-Y671 HydrophobicContact CE3-CD2 3.59Å; W666-Y671 AromaticContact CE3-CE2 3.62Å; W666-Y671 HydrophobicContact CE3-CE2 3.62Å; W666-Y671 HydrophobicContact CE3-CG 4.22Å; W666-Y671 HydrophobicContact CZ3-CD2 4.15Å; W666-Y671 AromaticContact CZ3-CE2 3.69Å; W666-Y671 HydrophobicContact CZ3-CE2 3.69Å; W666-Y671 PolarHBondContact O-N 2.88Å; W666-Y671 VanDerWaalsContact O-N 3.16Å; W666-I673 HydrophobicContact CB-CD1 3.93Å; W666-N731 VanDerWaalsContact CZ3-ND2 3.34Å; W666-N731 WeakPolarHBondContact CZ3-ND2 3.07Å; W666-Y734 WeakPolarHBondContact CZ2-OH 3.48Å; W666-Y734 AromaticContact NE1-CE2 3.65Å; W666-Y734 AromaticContact NE1-CZ 3.61Å; W666-Y734 PolarHBondContact NE1-OH 2.96Å; W666-L781 HydrophobicContact CH2-CD2 4.34Å; W666-L781 HydrophobicContact CZ2-CD1 4.02Å; W666-L781 HydrophobicContact CZ2-CD2 3.7Å; W666-H785 AromaticContact CH2-CE1 3.95Å
667Q86.3Confident87.9Confident30 Ų3026.4 Ų26.414%0.1415%0.147CC..Hα-helixtrans-66.4-43.2174.2-168.4-169.963.100111.5V663 R664 L669 G670 I673 H698V663-Q667 PolarHBondContact O-N 2.84Å; R664-Q667 PolarHBondContact O-N 2.87Å; R664-Q667 VanDerWaalsContact O-N 3.14Å; Q667-L669 VanDerWaalsContact C-N 3.27Å; Q667-L669 PolarHBondContact O-N 3.17Å; Q667-G670 WeakPolarHBondContact O-CA 3.12Å; Q667-G670 PolarHBondContact O-N 2.81Å; Q667-I673 HydrophobicContact CB-CD1 4.3Å; Q667-I673 HydrophobicContact CB-CG1 4.07Å; Q667-I673 HydrophobicContact CG-CG1 4.4Å; Q667-H698 PolarHBondContact NE2-O 3.22Å; Q667-H698 VanDerWaalsContact NE2-O 3.08Å
668D84.1Confident88.1Confident88 Ų8822.1 Ų22.147%0.47112%0.123SC..Hα-helixtrans-65.6-29.6177.3-77.1-38.1000112.7R664 H665 G670 K801R664-D668 WeakPolarHBondContact O-CB 3.31Å; R664-D668 PolarHBondContact O-N 3.39Å; H665-D668 PolarHBondContact O-N 3.34Å; D668-G670 PolarHBondContact O-N 2.79Å; D668-K801 WeakPolarHBondContact OD1-CE 3.37Å; D668-K801 IonicContact OD1-NZ 2.66Å; D668-K801 PolarHBondContact OD1-NZ 3.35Å
669L83.1Confident88Confident43 Ų4322.7 Ų22.723%0.22512%0.121CC..THydrogen-bonded Turntrans-73.3-7.9169.4-72176.6000113.5H665 W666 Q667 Y671 R796H665-L669 WeakPolarHBondContact O-CG 3.44Å; H665-L669 PolarHBondContact O-N 3.1Å; W666-L669 HydrophobicContact CE3-CD1 4.17Å; W666-L669 HydrophobicContact CZ3-CD1 4.36Å; W666-L669 PolarHBondContact O-N 2.74Å; Q667-L669 VanDerWaalsContact C-N 3.27Å; Q667-L669 PolarHBondContact O-N 3.17Å; L669-Y671 HydrophobicContact CB-CD2 3.75Å; L669-Y671 HydrophobicContact CB-CE2 3.81Å; L669-Y671 HydrophobicContact CD1-CE2 4.28Å; L669-R796 PolarHBondContact O-NH1 3.23Å
670G79.4Confident87.6Confident25 Ų2523.6 Ų23.626%0.25813%0.126SC..THydrogen-bonded Turntrans87.419.2175.600000115.4W666 Q667 D668W666-G670 PolarHBondContact O-N 2.99Å; Q667-G670 WeakPolarHBondContact O-CA 3.12Å; Q667-G670 PolarHBondContact O-N 2.81Å; D668-G670 PolarHBondContact O-N 2.79Å
671Y87.1Confident87.2Confident28 Ų2823.2 Ų23.211%0.1112%0.123CC..PPolyproline II helixtrans-81.4146.3173.9-68.3-91.5000111.4E632 V634 W666 L669 I673 N731E632-Y671 HydrophobicContact CB-CD1 3.7Å; E632-Y671 HydrophobicContact CB-CE1 3.73Å; V634-Y671 HydrophobicContact CG2-CD1 4.19Å; V634-Y671 HydrophobicContact CG2-CG 4.03Å; W666-Y671 AromaticContact CE3-CD2 3.59Å; W666-Y671 HydrophobicContact CE3-CD2 3.59Å; W666-Y671 AromaticContact CE3-CE2 3.62Å; W666-Y671 HydrophobicContact CE3-CE2 3.62Å; W666-Y671 HydrophobicContact CE3-CG 4.22Å; W666-Y671 HydrophobicContact CZ3-CD2 4.15Å; W666-Y671 AromaticContact CZ3-CE2 3.69Å; W666-Y671 HydrophobicContact CZ3-CE2 3.69Å; W666-Y671 PolarHBondContact O-N 2.88Å; W666-Y671 VanDerWaalsContact O-N 3.16Å; L669-Y671 HydrophobicContact CB-CD2 3.75Å; L669-Y671 HydrophobicContact CB-CE2 3.81Å; L669-Y671 HydrophobicContact CD1-CE2 4.28Å; Y671-I673 PolarHBondContact O-N 3.41Å; Y671-N731 HydrophobicContact CD1-CB 4.14Å; Y671-N731 HydrophobicContact CE1-CB 3.69Å
672L87.6Confident86.7Confident0 Ų021.7 Ų21.70%012%0.115CC..EExtended strand (participates in β ladder)trans-67.9124.4169.3174.767.3000109.9I534 L627 M631 E632 C633 V634 I674 M700 L799I534-L672 HydrophobicContact CD1-CD2 4.46Å; L627-L672 HydrophobicContact CD1-CD2 3.52Å; L627-L672 HydrophobicContact CD2-CD2 4.21Å; M631-L672 HydrophobicContact CE-CB 4.03Å; M631-L672 HydrophobicContact CG-CB 4.32Å; E632-L672 PolarHBondContact O-N 3.48Å; C633-L672 CarbonylContact C-O 3.57Å; C633-L672 WeakPolarHBondContact CA-O 3.4Å; C633-L672 HydrophobicContact CB-CB 3.83Å; C633-L672 HydrophobicContact CB-CD2 4.21Å; C633-L672 HydrophobicContact CB-CG 4.22Å; C633-L672 VanDerWaalsContact CB-O 3.29Å; C633-L672 WeakPolarHBondContact CB-O 3.27Å; V634-L672 PolarHBondContact N-O 2.83Å; L672-I674 HydrophobicContact CD2-CD1 4.07Å; L672-I674 HydrophobicContact CD2-CG1 4.14Å; L672-I674 HydrophobicContact CG-CG1 4.08Å; L672-M700 HydrophobicContact CD1-CG 4.41Å; L672-L799 HydrophobicContact CD1-CD1 3.75Å
673I91.6Very high86Confident1 Ų123.8 Ų23.81%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-89.7121.5176.2-52.5-55.7000109.5F636 V663 W666 Q667 Y671 Y675 G699 M700F636-I673 HydrophobicContact CD2-CG2 4.04Å; F636-I673 HydrophobicContact CE2-CD1 4.18Å; F636-I673 HydrophobicContact CE2-CG2 4.19Å; V663-I673 HydrophobicContact CG1-CD1 4.2Å; V663-I673 HydrophobicContact CG1-CG1 4.25Å; V663-I673 HydrophobicContact CG1-CG2 3.68Å; W666-I673 HydrophobicContact CB-CD1 3.93Å; Q667-I673 HydrophobicContact CB-CD1 4.3Å; Q667-I673 HydrophobicContact CB-CG1 4.07Å; Q667-I673 HydrophobicContact CG-CG1 4.4Å; Y671-I673 PolarHBondContact O-N 3.41Å; I673-Y675 HydrophobicContact CG2-CD2 4.19Å; I673-Y675 HydrophobicContact CG2-CE1 4.04Å; I673-Y675 HydrophobicContact CG2-CE2 3.65Å; I673-G699 CarbonylContact O-C 3.56Å; I673-G699 WeakPolarHBondContact O-CA 3.47Å; I673-M700 PolarHBondContact O-N 3.02Å
674I91.9Very high85.6Confident1 Ų125.1 Ų25.11%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-117.1118.5175.9-62.2-177.7000108.9I534 C633 V634 V635 F636 L672 F702 L722I534-I674 HydrophobicContact CD1-CD1 4.27Å; C633-I674 HydrophobicContact CB-CD1 4.02Å; C633-I674 HydrophobicContact CB-CG1 4.37Å; V634-I674 PolarHBondContact O-N 3.23Å; V635-I674 CarbonylContact C-O 3.57Å; V635-I674 WeakPolarHBondContact CA-O 3.49Å; V635-I674 HydrophobicContact CG2-CB 4.3Å; V635-I674 HydrophobicContact CG2-CG2 4.49Å; F636-I674 PolarHBondContact N-O 3.34Å; L672-I674 HydrophobicContact CD2-CD1 4.07Å; L672-I674 HydrophobicContact CD2-CG1 4.14Å; L672-I674 HydrophobicContact CG-CG1 4.08Å; I674-F702 HydrophobicContact CG2-CD2 3.84Å; I674-F702 HydrophobicContact CG2-CE2 3.93Å; I674-L722 HydrophobicContact CD1-CD1 3.96Å
675Y92Very high85Confident0 Ų027.2 Ų27.20%014%0.143CC..EExtended strand (participates in β ladder)trans-97.5133.4172.8-60.4-74.9000110.2F636 F642 V663 I673 F696 P697 M700 I701 F702 F804F636-Y675 HydrophobicContact CB-CD1 4.05Å; F636-Y675 HydrophobicContact CB-CE1 4.46Å; F636-Y675 WeakPolarHBondContact O-CA 3.47Å; F642-Y675 AromaticContact CE2-CD1 3.83Å; F642-Y675 HydrophobicContact CE2-CD1 3.83Å; F642-Y675 AromaticContact CE2-CE1 3.71Å; F642-Y675 HydrophobicContact CE2-CE1 3.71Å; F642-Y675 HydrophobicContact CZ-CE1 4.19Å; V663-Y675 HydrophobicContact CG1-CE1 4.3Å; V663-Y675 WeakPolarHBondContact CG1-OH 3.43Å; I673-Y675 HydrophobicContact CG2-CD2 4.19Å; I673-Y675 HydrophobicContact CG2-CE1 4.04Å; I673-Y675 HydrophobicContact CG2-CE2 3.65Å; Y675-F696 HydrophobicContact CE1-CD1 4.24Å; Y675-P697 WeakPolarHBondContact CE2-O 3.34Å; Y675-P697 PolarHBondContact OH-O 2.87Å; Y675-M700 PolarHBondContact N-O 2.97Å; Y675-I701 HydrophobicContact CD2-CG1 3.86Å; Y675-I701 HydrophobicContact CG-CG1 4.3Å; Y675-I701 WeakPolarHBondContact O-CA 3.48Å; Y675-F702 PolarHBondContact O-N 3.45Å; Y675-F804 HydrophobicContact CD2-CE2 4.35Å; Y675-F804 AromaticContact CD2-CZ 3.85Å; Y675-F804 HydrophobicContact CD2-CZ 3.85Å; Y675-F804 AromaticContact CE2-CE2 3.72Å; Y675-F804 HydrophobicContact CE2-CE2 3.72Å; Y675-F804 AromaticContact CE2-CZ 3.55Å; Y675-F804 HydrophobicContact CE2-CZ 3.55Å
676I91.1Very high84.5Confident4 Ų432.1 Ų32.12%0.02116%0.161CC..EExtended strand (participates in β ladder)trans-131.7130.2180-165169.2000111.3V635 F636 S637 I638 K715 F718 L719V635-I676 HydrophobicContact CG1-CG2 3.84Å; F636-I676 PolarHBondContact O-N 2.67Å; S637-I676 CarbonylContact C-O 3.56Å; S637-I676 VanDerWaalsContact CA-O 3.28Å; S637-I676 WeakPolarHBondContact CA-O 3.5Å; I638-I676 PolarHBondContact N-O 3.45Å; I676-K715 HydrophobicContact CD1-CB 3.73Å; I676-K715 HydrophobicContact CD1-CD 4.14Å; I676-K715 HydrophobicContact CD1-CG 3.75Å; I676-K715 HydrophobicContact CG1-CB 4.45Å; I676-K715 HydrophobicContact CG1-CD 4.1Å; I676-K715 HydrophobicContact CG1-CG 3.9Å; I676-K715 HydrophobicContact CG2-CD 4.45Å; I676-F718 HydrophobicContact CD1-CD1 4.04Å; I676-L719 HydrophobicContact CD1-CD1 3.84Å; I676-L719 HydrophobicContact CD1-CD2 4.17Å; I676-L719 HydrophobicContact CD1-CG 3.79Å
677T88Confident84.2Confident1 Ų131.9 Ų31.91%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-125.5148177.5178.60000110.9D639 R679 F702 F703D639-T677 WeakPolarHBondContact OD2-CA 3.1Å; D639-T677 WeakPolarHBondContact OD2-CB 3.38Å; D639-T677 PolarHBondContact OD2-OG1 2.79Å; T677-R679 HydrophobicContact CG2-CB 4.11Å; T677-R679 VanDerWaalsContact OG1-CB 3.29Å; T677-R679 WeakPolarHBondContact OG1-CB 3.39Å; T677-R679 WeakPolarHBondContact OG1-CD 3.5Å; T677-R679 VanDerWaalsContact OG1-CG 3.25Å; T677-R679 WeakPolarHBondContact OG1-CG 3.3Å; T677-R679 PolarHBondContact OG1-N 2.85Å; T677-R679 VanDerWaalsContact OG1-N 3.07Å; T677-F702 WeakPolarHBondContact CG2-O 3.46Å; T677-F702 PolarHBondContact N-O 3.23Å; T677-F703 HydrophobicContact CG2-CB 4.46Å; T677-F703 HydrophobicContact CG2-CD1 3.37Å; T677-F703 HydrophobicContact CG2-CE1 3.53Å; T677-F703 HydrophobicContact CG2-CG 3.92Å; T677-F703 HydrophobicContact CG2-CZ 4.2Å
678G84.7Confident84.1Confident22 Ų2231.6 Ų31.623%0.22716%0.16CC..EExtended strand (participates in β ladder)trans-83.64.8169.600000112.7D639 S704 P711 K715D639-G678 PolarHBondContact OD2-N 3.48Å; G678-S704 PolarHBondContact O-OG 3.42Å; G678-P711 WeakPolarHBondContact O-CB 3.03Å; G678-K715 VanDerWaalsContact N-CE 3.3Å
679R83Confident83.9Confident27 Ų2728.8 Ų28.810%0.10215%0.148CC..EExtended strand (participates in β ladder)trans-75.7145.8178.7-70.3172.2-176.4-73.1-15.3110.5D639 V646 I648 T677 Q683 S704D639-R679 IonicContact OD1-CZ 3.92Å; D639-R679 IonicContact OD1-NE 3.57Å; D639-R679 PolarHBondContact OD1-NE 2.84Å; D639-R679 IonicContact OD1-NH2 3.61Å; D639-R679 PolarHBondContact OD1-NH2 2.9Å; V646-R679 PolarHBondContact O-NH2 2.88Å; I648-R679 VanDerWaalsContact CG1-CZ 3.43Å; T677-R679 HydrophobicContact CG2-CB 4.11Å; T677-R679 VanDerWaalsContact OG1-CB 3.29Å; T677-R679 WeakPolarHBondContact OG1-CB 3.39Å; T677-R679 WeakPolarHBondContact OG1-CD 3.5Å; T677-R679 VanDerWaalsContact OG1-CG 3.25Å; T677-R679 WeakPolarHBondContact OG1-CG 3.3Å; T677-R679 PolarHBondContact OG1-N 2.85Å; T677-R679 VanDerWaalsContact OG1-N 3.07Å; R679-Q683 HydrophobicContact CB-CB 4.46Å; R679-S704 PolarHBondContact O-N 2.89Å
680P81.9Confident84Confident19 Ų1927.1 Ų27.112%0.12314%0.138CC..EExtended strand (participates in β ladder)trans-63.9145.3174.231.3-37.7000110.2M682 Q683 S704 G706 L707P680-M682 HydrophobicContact CB-CE 4.4Å; P680-M682 HydrophobicContact CB-CG 3.88Å; P680-M682 HydrophobicContact CB-SD 4.48Å; P680-M682 HydrophobicContact CG-CG 3.69Å; P680-M682 HydrophobicContact CG-SD 4.23Å; P680-M682 PolarHBondContact O-N 3.35Å; P680-Q683 HydrophobicContact CG-CG 4.23Å; P680-Q683 PolarHBondContact O-N 3.12Å; P680-S704 CarbonylContact C-O 3.53Å; P680-S704 WeakPolarHBondContact CA-O 3.29Å; P680-G706 VanDerWaalsContact CB-O 3.26Å; P680-G706 WeakPolarHBondContact CB-O 3.34Å; P680-L707 HydrophobicContact CB-CD2 4.32Å; P680-L707 HydrophobicContact CG-CD2 4.26Å
681D80.6Confident84.3Confident11 Ų1125.9 Ų25.96%0.05913%0.126CC..G310 helixtrans-46-29.9173.568-37.8000114.2R529 Q683 K684 F703 S704 G706R529-D681 WeakPolarHBondContact CD-O 3.19Å; R529-D681 WeakPolarHBondContact CD-OD2 3.49Å; R529-D681 IonicContact CZ-OD2 3.22Å; R529-D681 PolarHBondContact NE-O 3.13Å; R529-D681 IonicContact NE-OD2 2.77Å; R529-D681 IonicContact NH1-OD1 2.73Å; R529-D681 PolarHBondContact NH1-OD1 3.27Å; R529-D681 IonicContact NH1-OD2 3.83Å; R529-D681 PolarHBondContact NH1-OD2 3.32Å; D681-Q683 PolarHBondContact O-N 3.14Å; D681-K684 VanDerWaalsContact O-CB 3.29Å; D681-K684 WeakPolarHBondContact O-CB 3.31Å; D681-K684 PolarHBondContact O-N 3.44Å; D681-F703 HydrophobicContact CB-CB 4.17Å; D681-S704 PolarHBondContact N-O 2.99Å; D681-G706 WeakPolarHBondContact OD1-CA 3.41Å; D681-G706 PolarHBondContact OD1-N 3.37Å
682M77.9Confident84.2Confident39 Ų3925.7 Ų25.719%0.19213%0.128CC..G310 helixtrans-58.2-13.9171.372-177.963.700115.6R529 L552 P680 L707R529-M682 VanDerWaalsContact CZ-CB 3.49Å; L552-M682 HydrophobicContact CD2-SD 4.05Å; P680-M682 HydrophobicContact CB-CE 4.4Å; P680-M682 HydrophobicContact CB-CG 3.88Å; P680-M682 HydrophobicContact CB-SD 4.48Å; P680-M682 HydrophobicContact CG-CG 3.69Å; P680-M682 HydrophobicContact CG-SD 4.23Å; P680-M682 PolarHBondContact O-N 3.35Å; M682-L707 HydrophobicContact CE-CD1 4.48Å; M682-L707 HydrophobicContact CE-CD2 4.03Å; M682-L707 HydrophobicContact CE-CG 3.93Å; M682-L707 HydrophobicContact SD-CD2 4.33Å
683Q78.4Confident83.8Confident44 Ų4431.4 Ų31.421%0.20616%0.155CC..G310 helixtrans-98.14.6173.3-61.1-176.74.100113.1R679 P680 D681 Q685 R686 V687R679-Q683 HydrophobicContact CB-CB 4.46Å; P680-Q683 HydrophobicContact CG-CG 4.23Å; P680-Q683 PolarHBondContact O-N 3.12Å; D681-Q683 PolarHBondContact O-N 3.14Å; Q683-Q685 PolarHBondContact O-N 3.37Å; Q683-R686 PolarHBondContact O-N 3.08Å; Q683-R686 VanDerWaalsContact O-N 3.08Å; Q683-V687 HydrophobicContact CB-CG2 4.38Å; Q683-V687 PolarHBondContact O-N 2.97Å
684K81.2Confident83.3Confident27 Ų2734 Ų3412%0.11717%0.167CC..Hα-helixtrans-49-54.2-176.7-176.3175.3-167.1-169.20112.1V530 D532 D681 R686 V687 V688 F703V530-K684 PolarHBondContact O-NZ 3.04Å; D532-K684 IonicContact OD1-NZ 3.53Å; D532-K684 PolarHBondContact OD1-NZ 3.27Å; D681-K684 VanDerWaalsContact O-CB 3.29Å; D681-K684 WeakPolarHBondContact O-CB 3.31Å; D681-K684 PolarHBondContact O-N 3.44Å; K684-R686 PolarHBondContact O-N 2.99Å; K684-V687 PolarHBondContact O-N 3.06Å; K684-V688 HydrophobicContact CG-CG2 4.03Å; K684-V688 WeakPolarHBondContact O-CB 3.21Å; K684-V688 WeakPolarHBondContact O-CG2 3.48Å; K684-V688 PolarHBondContact O-N 3.1Å; K684-F703 HydrophobicContact CB-CD2 4.31Å; K684-F703 HydrophobicContact CB-CE1 4.3Å; K684-F703 HydrophobicContact CB-CE2 3.98Å; K684-F703 HydrophobicContact CB-CZ 4Å; K684-F703 HydrophobicContact CD-CE2 4.31Å; K684-F703 HydrophobicContact CG-CD2 4.21Å; K684-F703 HydrophobicContact CG-CE2 3.64Å; K684-F703 HydrophobicContact CG-CZ 3.97Å
685Q77.3Confident83.1Confident127 Ų12738.8 Ų38.859%0.59319%0.193SC*.Hα-helixtrans-59.7-41.9-178.7-68.4-180-1100112.8Q683 S689Q683-Q685 PolarHBondContact O-N 3.37Å; Q685-S689 VanDerWaalsContact O-CB 3.23Å; Q685-S689 WeakPolarHBondContact O-CB 3.47Å; Q685-S689 PolarHBondContact O-N 3.36Å
686R78.1Confident82.9Confident132 Ų13238.8 Ų38.850%0.49819%0.193SC..Hα-helixtrans-69.4-40-179.2-169.3167.7-178.7172.4-4.8112.1I648 Q683 K684 W690I648-R686 HydrophobicContact CG2-CG 3.98Å; I648-R686 PolarHBondContact O-NE 2.95Å; I648-R686 PolarHBondContact O-NH1 3.28Å; I648-R686 VanDerWaalsContact O-NH1 3.17Å; I648-R686 PolarHBondContact O-NH2 3.42Å; Q683-R686 PolarHBondContact O-N 3.08Å; Q683-R686 VanDerWaalsContact O-N 3.08Å; K684-R686 PolarHBondContact O-N 2.99Å; R686-W690 WeakPolarHBondContact O-CB 3.25Å; R686-W690 PolarHBondContact O-N 2.95Å
687V82.9Confident82.7Confident1 Ų138.8 Ų38.81%0.00619%0.193CC..Hα-helixtrans-72-41.6177.6174.10000111.6I638 I648 Q683 K684 S689 W690 L691 F703I638-V687 HydrophobicContact CD1-CG1 3.63Å; I648-V687 HydrophobicContact CD1-CG2 4.42Å; Q683-V687 HydrophobicContact CB-CG2 4.38Å; Q683-V687 PolarHBondContact O-N 2.97Å; K684-V687 PolarHBondContact O-N 3.06Å; V687-S689 VanDerWaalsContact C-N 3.35Å; V687-W690 PolarHBondContact O-N 3.47Å; V687-L691 HydrophobicContact CG1-CD1 4.26Å; V687-L691 WeakPolarHBondContact O-CG 3.45Å; V687-L691 PolarHBondContact O-N 3.18Å; V687-F703 HydrophobicContact CB-CE1 3.79Å; V687-F703 HydrophobicContact CB-CZ 3.87Å; V687-F703 HydrophobicContact CG1-CE1 4.06Å; V687-F703 HydrophobicContact CG1-CZ 3.93Å; V687-F703 HydrophobicContact CG2-CE1 3.96Å
688V84.1Confident82.5Confident23 Ų2340.6 Ų40.614%0.13920%0.201CC..Hα-helixtrans-63-42.1174.7173.50000110.9K684 L691 S692 I701 F804 L806K684-V688 HydrophobicContact CG-CG2 4.03Å; K684-V688 WeakPolarHBondContact O-CB 3.21Å; K684-V688 WeakPolarHBondContact O-CG2 3.48Å; K684-V688 PolarHBondContact O-N 3.1Å; V688-L691 PolarHBondContact O-N 3.24Å; V688-S692 WeakPolarHBondContact O-CB 3.35Å; V688-S692 PolarHBondContact O-N 2.63Å; V688-I701 HydrophobicContact CG2-CD1 3.71Å; V688-F804 HydrophobicContact CG1-CB 4.3Å; V688-F804 HydrophobicContact CG1-CD1 4.43Å; V688-L806 HydrophobicContact CG1-CD2 4.19Å
689S80.9Confident82.5Confident30 Ų3039.7 Ų39.721%0.2119%0.193CC..Hα-helixtrans-61.2-46.2175-171.20000111.9Q685 V687 L691 S692 Q693Q685-S689 VanDerWaalsContact O-CB 3.23Å; Q685-S689 WeakPolarHBondContact O-CB 3.47Å; Q685-S689 PolarHBondContact O-N 3.36Å; V687-S689 VanDerWaalsContact C-N 3.35Å; S689-L691 PolarHBondContact O-N 3.37Å; S689-S692 WeakPolarHBondContact O-CB 3.43Å; S689-S692 PolarHBondContact O-N 2.85Å; S689-S692 VanDerWaalsContact O-N 3.16Å; S689-Q693 WeakPolarHBondContact O-CB 3.27Å; S689-Q693 VanDerWaalsContact O-CG 3.26Å; S689-Q693 WeakPolarHBondContact O-CG 3.36Å; S689-Q693 PolarHBondContact O-N 3.29Å
690W84.2Confident82.7Confident7 Ų738.6 Ų38.63%0.02719%0.188CC..Hα-helixtrans-61.5-42.6176.5-17780000113.1I638 F642 A643 D652 P653 V655 R686 V687 S692 Q693 H694 F696I638-W690 HydrophobicContact CG2-CZ3 4.3Å; F642-W690 HydrophobicContact CB-CH2 3.96Å; F642-W690 HydrophobicContact CB-CZ3 4.35Å; A643-W690 HydrophobicContact CB-CH2 4.34Å; A643-W690 HydrophobicContact CB-CZ2 4.39Å; D652-W690 PolarHBondContact OD1-NE1 3.37Å; P653-W690 HydrophobicContact CG-CZ2 4.27Å; P653-W690 VanDerWaalsContact O-CZ2 3.3Å; P653-W690 WeakPolarHBondContact O-CZ2 3.5Å; P653-W690 PolarHBondContact O-NE1 2.78Å; V655-W690 HydrophobicContact CB-CZ2 4.46Å; V655-W690 HydrophobicContact CG2-CH2 3.7Å; V655-W690 HydrophobicContact CG2-CZ2 3.35Å; R686-W690 WeakPolarHBondContact O-CB 3.25Å; R686-W690 PolarHBondContact O-N 2.95Å; V687-W690 PolarHBondContact O-N 3.47Å; W690-S692 VanDerWaalsContact C-N 3.33Å; W690-S692 PolarHBondContact O-N 3.48Å; W690-Q693 PolarHBondContact O-N 3.01Å; W690-H694 AromaticContact CD1-CD2 3.65Å; W690-H694 AromaticContact CD1-NE2 3.56Å; W690-H694 AromaticContact CD2-CD2 3.86Å; W690-H694 AromaticContact CE2-CD2 3.44Å; W690-H694 VanDerWaalsContact CE2-CD2 3.44Å; W690-H694 AromaticContact CE2-NE2 3.69Å; W690-H694 AromaticContact CZ2-CD2 3.94Å; W690-H694 AromaticContact NE1-CD2 3.27Å; W690-H694 PolarHBondContact NE1-CD2 3.46Å; W690-H694 VanDerWaalsContact NE1-CD2 3.27Å; W690-H694 AromaticContact NE1-NE2 3.06Å; W690-H694 PolarHBondContact NE1-NE2 3.29Å; W690-H694 PolarHBondContact O-CD2 3.01Å; W690-H694 VanDerWaalsContact O-CD2 3.25Å; W690-H694 PolarHBondContact O-N 3.17Å; W690-F696 HydrophobicContact CH2-CE2 4.21Å; W690-F696 HydrophobicContact CH2-CZ 4.5Å; W690-F696 HydrophobicContact CZ3-CE2 4.03Å; W690-F696 HydrophobicContact CZ3-CZ 4.45Å
691L86.5Confident83Confident0 Ų037.8 Ų37.80%018%0.183CC..Hα-helixtrans-62.7-38.9174-71.3170.7000111.9I638 V687 V688 S689 N695 F696 I701 F804I638-L691 HydrophobicContact CD1-CD1 4.05Å; V687-L691 HydrophobicContact CG1-CD1 4.26Å; V687-L691 WeakPolarHBondContact O-CG 3.45Å; V687-L691 PolarHBondContact O-N 3.18Å; V688-L691 PolarHBondContact O-N 3.24Å; S689-L691 PolarHBondContact O-N 3.37Å; L691-N695 PolarHBondContact O-N 3.12Å; L691-F696 HydrophobicContact CB-CB 4.18Å; L691-F696 HydrophobicContact CB-CD2 4.49Å; L691-F696 HydrophobicContact CD2-CB 3.95Å; L691-F696 HydrophobicContact CD2-CD1 4.08Å; L691-F696 HydrophobicContact CD2-CD2 3.65Å; L691-F696 HydrophobicContact CD2-CE2 4.12Å; L691-F696 HydrophobicContact CD2-CG 3.61Å; L691-F696 WeakPolarHBondContact O-CB 3.41Å; L691-F696 PolarHBondContact O-N 3.32Å; L691-I701 HydrophobicContact CD1-CD1 3.57Å; L691-I701 HydrophobicContact CD1-CG1 4.15Å; L691-F804 HydrophobicContact CB-CD2 3.8Å; L691-F804 HydrophobicContact CB-CE2 4.04Å; L691-F804 HydrophobicContact CD1-CE2 4.11Å; L691-F804 HydrophobicContact CD1-CZ 4.42Å
692S83.4Confident83.3Confident23 Ų2338 Ų3816%0.16118%0.184CC..Hα-helixtrans-64.6-49.6174.2172.20000112.2V688 S689 W690 H694 N695 F804V688-S692 WeakPolarHBondContact O-CB 3.35Å; V688-S692 PolarHBondContact O-N 2.63Å; S689-S692 WeakPolarHBondContact O-CB 3.43Å; S689-S692 PolarHBondContact O-N 2.85Å; S689-S692 VanDerWaalsContact O-N 3.16Å; W690-S692 VanDerWaalsContact C-N 3.33Å; W690-S692 PolarHBondContact O-N 3.48Å; S692-H694 PolarHBondContact O-N 3.17Å; S692-N695 PolarHBondContact O-N 3.3Å; S692-F804 VanDerWaalsContact CB-O 3.31Å; S692-F804 WeakPolarHBondContact CB-O 3.25Å; S692-F804 PolarHBondContact OG-O 3.4Å
693Q80.9Confident83.7Confident121 Ų12137.2 Ų37.257%0.56518%0.179SC*.Hα-helixtrans-57.5-33.5-178.7-75.5169-16.600112.5S689 W690S689-Q693 WeakPolarHBondContact O-CB 3.27Å; S689-Q693 VanDerWaalsContact O-CG 3.26Å; S689-Q693 WeakPolarHBondContact O-CG 3.36Å; S689-Q693 PolarHBondContact O-N 3.29Å; W690-Q693 PolarHBondContact O-N 3.01Å
694H81.3Confident83.9Confident54 Ų5435.3 Ų35.325%0.2517%0.171CC..THydrogen-bonded Turntrans-97.215.4177.7-63.1-58.1000114.6D652 V655 W690 S692 F696D652-H694 IonicContact OD1-NE2 3.92Å; V655-H694 HydrophobicContact CG2-CB 3.79Å; V655-H694 WeakPolarHBondContact CG2-CD2 3.36Å; W690-H694 AromaticContact CD1-CD2 3.65Å; W690-H694 AromaticContact CD1-NE2 3.56Å; W690-H694 AromaticContact CD2-CD2 3.86Å; W690-H694 AromaticContact CE2-CD2 3.44Å; W690-H694 VanDerWaalsContact CE2-CD2 3.44Å; W690-H694 AromaticContact CE2-NE2 3.69Å; W690-H694 AromaticContact CZ2-CD2 3.94Å; W690-H694 AromaticContact NE1-CD2 3.27Å; W690-H694 PolarHBondContact NE1-CD2 3.46Å; W690-H694 VanDerWaalsContact NE1-CD2 3.27Å; W690-H694 AromaticContact NE1-NE2 3.06Å; W690-H694 PolarHBondContact NE1-NE2 3.29Å; W690-H694 PolarHBondContact O-CD2 3.01Å; W690-H694 VanDerWaalsContact O-CD2 3.25Å; W690-H694 PolarHBondContact O-N 3.17Å; S692-H694 PolarHBondContact O-N 3.17Å; H694-F696 VanDerWaalsContact C-N 3.26Å; H694-F696 HydrophobicContact CB-CD2 3.92Å; H694-F696 HydrophobicContact CB-CE2 3.91Å; H694-F696 PolarHBondContact O-N 3.33Å
695N85.9Confident83.6Confident102 Ų10238 Ų3855%0.54518%0.183SC..THydrogen-bonded Turntrans54.436.7176.3-68.9-43.5000114.4V660 R664 L691 S692V660-N695 WeakPolarHBondContact CG1-O 3.38Å; R664-N695 PolarHBondContact NH2-O 3.41Å; R664-N695 VanDerWaalsContact NH2-O 3.15Å; L691-N695 PolarHBondContact O-N 3.12Å; S692-N695 PolarHBondContact O-N 3.3Å
696F88.2Confident83.3Confident0 Ų032.3 Ų32.30%016%0.16CC..PPolyproline II helixtrans-62.9137.4170.1-82.6-92.4000110.5F642 V655 V660 V663 Y675 W690 L691 H694 F804F642-F696 HydrophobicContact CB-CZ 4.12Å; F642-F696 HydrophobicContact CD1-CE1 4.13Å; F642-F696 HydrophobicContact CD1-CZ 4.35Å; F642-F696 AromaticContact CD2-CE1 3.68Å; F642-F696 HydrophobicContact CD2-CE1 3.68Å; F642-F696 AromaticContact CD2-CZ 3.94Å; F642-F696 HydrophobicContact CD2-CZ 3.94Å; F642-F696 HydrophobicContact CE1-CE1 4.08Å; F642-F696 HydrophobicContact CE2-CD1 4.21Å; F642-F696 AromaticContact CE2-CE1 3.65Å; F642-F696 HydrophobicContact CE2-CE1 3.65Å; F642-F696 HydrophobicContact CE2-CZ 4.37Å; F642-F696 AromaticContact CG-CE1 3.92Å; F642-F696 HydrophobicContact CG-CE1 3.92Å; F642-F696 AromaticContact CG-CZ 3.91Å; F642-F696 HydrophobicContact CG-CZ 3.91Å; F642-F696 HydrophobicContact CZ-CD1 4.49Å; F642-F696 AromaticContact CZ-CE1 3.83Å; F642-F696 HydrophobicContact CZ-CE1 3.83Å; V655-F696 HydrophobicContact CG1-CE2 4.23Å; V655-F696 HydrophobicContact CG1-CZ 4.08Å; V655-F696 HydrophobicContact CG2-CE2 4.02Å; V660-F696 HydrophobicContact CG2-CD1 4.33Å; V660-F696 HydrophobicContact CG2-CD2 4.11Å; V660-F696 HydrophobicContact CG2-CE1 4.03Å; V660-F696 HydrophobicContact CG2-CE2 3.8Å; V660-F696 HydrophobicContact CG2-CG 4.37Å; V660-F696 HydrophobicContact CG2-CZ 3.76Å; V663-F696 HydrophobicContact CG2-CD1 4.38Å; V663-F696 HydrophobicContact CG2-CE1 4.37Å; Y675-F696 HydrophobicContact CE1-CD1 4.24Å; W690-F696 HydrophobicContact CH2-CE2 4.21Å; W690-F696 HydrophobicContact CH2-CZ 4.5Å; W690-F696 HydrophobicContact CZ3-CE2 4.03Å; W690-F696 HydrophobicContact CZ3-CZ 4.45Å; L691-F696 HydrophobicContact CB-CB 4.18Å; L691-F696 HydrophobicContact CB-CD2 4.49Å; L691-F696 HydrophobicContact CD2-CB 3.95Å; L691-F696 HydrophobicContact CD2-CD1 4.08Å; L691-F696 HydrophobicContact CD2-CD2 3.65Å; L691-F696 HydrophobicContact CD2-CE2 4.12Å; L691-F696 HydrophobicContact CD2-CG 3.61Å; L691-F696 WeakPolarHBondContact O-CB 3.41Å; L691-F696 PolarHBondContact O-N 3.32Å; H694-F696 VanDerWaalsContact C-N 3.26Å; H694-F696 HydrophobicContact CB-CD2 3.92Å; H694-F696 HydrophobicContact CB-CE2 3.91Å; H694-F696 PolarHBondContact O-N 3.33Å; F696-F804 HydrophobicContact CB-CE2 4.43Å
697P86.3Confident82.9Confident5 Ų532.9 Ų32.93%0.03217%0.172CC..BIsolated β-bridgetrans-59.2144.4175.2-21.632000111.9V663 R664 Y675 G699 F804V663-P697 HydrophobicContact CB-CG 4.28Å; V663-P697 HydrophobicContact CG1-CB 4.42Å; V663-P697 HydrophobicContact CG1-CG 4Å; R664-P697 HydrophobicContact CB-CG 3.95Å; Y675-P697 WeakPolarHBondContact CE2-O 3.34Å; Y675-P697 PolarHBondContact OH-O 2.87Å; P697-G699 PolarHBondContact O-N 3.12Å; P697-F804 WeakPolarHBondContact O-CE2 3.42Å
698H84.1Confident82.4Confident38 Ų3835.3 Ų35.318%0.17619%0.187CC..PPolyproline II helixtrans-60.2135.4175.4-177.572.3000111.5Q667 M700 G802 F804Q667-H698 PolarHBondContact NE2-O 3.22Å; Q667-H698 VanDerWaalsContact NE2-O 3.08Å; H698-M700 WeakPolarHBondContact NE2-CE 3.24Å; H698-G802 VanDerWaalsContact CB-O 3.24Å; H698-G802 WeakPolarHBondContact CB-O 3.35Å; H698-G802 PolarHBondContact N-O 3.33Å; H698-F804 AromaticContact ND1-CD1 3.71Å; H698-F804 AromaticContact ND1-CE1 3.62Å
699G86.1Confident81.8Confident4 Ų444 Ų444%0.04123%0.225CC..  trans-164.1167.5179.500000109.7I673 P697 F804I673-G699 CarbonylContact O-C 3.56Å; I673-G699 WeakPolarHBondContact O-CA 3.47Å; P697-G699 PolarHBondContact O-N 3.12Å; G699-F804 VanDerWaalsContact O-CE1 3.25Å; G699-F804 WeakPolarHBondContact O-CE1 3.4Å; G699-F804 VanDerWaalsContact O-CZ 3.26Å; G699-F804 WeakPolarHBondContact O-CZ 3.41Å
700M86.4Confident82Confident3 Ų346.3 Ų46.32%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-76.7130.9-176.6-59.2-64.210200110D532 I534 T625 L672 I673 Y675 H698 F702D532-M700 HydrophobicContact CB-SD 4.39Å; I534-M700 HydrophobicContact CD1-CB 4.18Å; I534-M700 HydrophobicContact CD1-CG 4.03Å; I534-M700 HydrophobicContact CG1-CG 4.14Å; T625-M700 PolarHBondContact OG1-SD 3.36Å; L672-M700 HydrophobicContact CD1-CG 4.41Å; I673-M700 PolarHBondContact O-N 3.02Å; Y675-M700 PolarHBondContact N-O 2.97Å; H698-M700 WeakPolarHBondContact NE2-CE 3.24Å; M700-F702 HydrophobicContact CB-CE2 3.59Å; M700-F702 HydrophobicContact CB-CZ 3.88Å
701I88Confident81.9Confident2 Ų248 Ų481%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-114127.2-177.5-48.6161.1000111.5I638 Y675 V688 L691 F703 F804I638-I701 HydrophobicContact CD1-CG2 4.31Å; Y675-I701 HydrophobicContact CD2-CG1 3.86Å; Y675-I701 HydrophobicContact CG-CG1 4.3Å; Y675-I701 WeakPolarHBondContact O-CA 3.48Å; V688-I701 HydrophobicContact CG2-CD1 3.71Å; L691-I701 HydrophobicContact CD1-CD1 3.57Å; L691-I701 HydrophobicContact CD1-CG1 4.15Å; I701-F703 HydrophobicContact CB-CE2 4.03Å; I701-F703 HydrophobicContact CG2-CD2 4.15Å; I701-F703 HydrophobicContact CG2-CE2 3.34Å; I701-F703 HydrophobicContact CG2-CZ 3.68Å; I701-F804 HydrophobicContact CD1-CD1 3.97Å; I701-F804 HydrophobicContact CD1-CE1 3.31Å; I701-F804 HydrophobicContact CD1-CE2 4.3Å; I701-F804 HydrophobicContact CD1-CZ 3.5Å; I701-F804 HydrophobicContact CG1-CE1 3.81Å; I701-F804 HydrophobicContact CG1-CZ 3.74Å
702F87.7Confident81.9Confident16 Ų1650.5 Ų50.57%0.0726%0.26CS..EExtended strand (participates in β ladder)trans-116.9135.6-179.8-59.1-77.6000112.8D532 I534 I674 Y675 T677 M700 F718D532-F702 VanDerWaalsContact O-CE1 3.28Å; D532-F702 WeakPolarHBondContact O-CE1 3.24Å; I534-F702 HydrophobicContact CD1-CE2 3.87Å; I534-F702 HydrophobicContact CD1-CZ 3.59Å; I534-F702 HydrophobicContact CG1-CZ 3.97Å; I674-F702 HydrophobicContact CG2-CD2 3.84Å; I674-F702 HydrophobicContact CG2-CE2 3.93Å; Y675-F702 PolarHBondContact O-N 3.45Å; T677-F702 WeakPolarHBondContact CG2-O 3.46Å; T677-F702 PolarHBondContact N-O 3.23Å; M700-F702 HydrophobicContact CB-CE2 3.59Å; M700-F702 HydrophobicContact CB-CZ 3.88Å; F702-F718 HydrophobicContact CB-CD1 4.23Å; F702-F718 HydrophobicContact CB-CE1 3.8Å; F702-F718 HydrophobicContact CB-CZ 4.05Å; F702-F718 AromaticContact CD1-CE1 3.78Å; F702-F718 HydrophobicContact CD1-CE1 3.78Å; F702-F718 AromaticContact CD1-CE2 3.56Å; F702-F718 HydrophobicContact CD1-CE2 3.56Å; F702-F718 AromaticContact CD1-CZ 3.13Å; F702-F718 HydrophobicContact CD1-CZ 3.13Å; F702-F718 AromaticContact CD2-CE1 3.45Å; F702-F718 HydrophobicContact CD2-CE1 3.45Å; F702-F718 VanDerWaalsContact CD2-CE1 3.45Å; F702-F718 AromaticContact CD2-CZ 3.54Å; F702-F718 HydrophobicContact CD2-CZ 3.54Å; F702-F718 HydrophobicContact CE1-CE1 4.23Å; F702-F718 AromaticContact CE1-CE2 3.81Å; F702-F718 HydrophobicContact CE1-CE2 3.81Å; F702-F718 AromaticContact CE1-CZ 3.3Å; F702-F718 HydrophobicContact CE1-CZ 3.3Å; F702-F718 AromaticContact CE2-CE1 3.94Å; F702-F718 HydrophobicContact CE2-CE1 3.94Å; F702-F718 AromaticContact CE2-CZ 3.69Å; F702-F718 HydrophobicContact CE2-CZ 3.69Å; F702-F718 HydrophobicContact CG-CD1 4.24Å; F702-F718 AromaticContact CG-CE1 3.35Å; F702-F718 HydrophobicContact CG-CE1 3.35Å; F702-F718 HydrophobicContact CG-CE2 4.03Å; F702-F718 AromaticContact CG-CZ 3.25Å; F702-F718 HydrophobicContact CG-CZ 3.25Å; F702-F718 HydrophobicContact CZ-CE1 4.31Å; F702-F718 HydrophobicContact CZ-CE2 4.47Å; F702-F718 AromaticContact CZ-CZ 3.59Å; F702-F718 HydrophobicContact CZ-CZ 3.59Å
703F86Confident82.2Confident23 Ų2357.6 Ų57.610%0.10128%0.283CS..EExtended strand (participates in β ladder)trans-119.1157.9-176-66.8-97000110.9T677 D681 K684 V687 I701T677-F703 HydrophobicContact CG2-CB 4.46Å; T677-F703 HydrophobicContact CG2-CD1 3.37Å; T677-F703 HydrophobicContact CG2-CE1 3.53Å; T677-F703 HydrophobicContact CG2-CG 3.92Å; T677-F703 HydrophobicContact CG2-CZ 4.2Å; D681-F703 HydrophobicContact CB-CB 4.17Å; K684-F703 HydrophobicContact CB-CD2 4.31Å; K684-F703 HydrophobicContact CB-CE1 4.3Å; K684-F703 HydrophobicContact CB-CE2 3.98Å; K684-F703 HydrophobicContact CB-CZ 4Å; K684-F703 HydrophobicContact CD-CE2 4.31Å; K684-F703 HydrophobicContact CG-CD2 4.21Å; K684-F703 HydrophobicContact CG-CE2 3.64Å; K684-F703 HydrophobicContact CG-CZ 3.97Å; V687-F703 HydrophobicContact CB-CE1 3.79Å; V687-F703 HydrophobicContact CB-CZ 3.87Å; V687-F703 HydrophobicContact CG1-CE1 4.06Å; V687-F703 HydrophobicContact CG1-CZ 3.93Å; V687-F703 HydrophobicContact CG2-CE1 3.96Å; I701-F703 HydrophobicContact CB-CE2 4.03Å; I701-F703 HydrophobicContact CG2-CD2 4.15Å; I701-F703 HydrophobicContact CG2-CE2 3.34Å; I701-F703 HydrophobicContact CG2-CZ 3.68Å
704S82.8Confident82.4Confident4 Ų454.5 Ų54.53%0.02827%0.269CS..EExtended strand (participates in β ladder)trans-68.9141168.7-62.60000110.9G678 R679 P680 D681 G706 Q714G678-S704 PolarHBondContact O-OG 3.42Å; R679-S704 PolarHBondContact O-N 2.89Å; P680-S704 CarbonylContact C-O 3.53Å; P680-S704 WeakPolarHBondContact CA-O 3.29Å; D681-S704 PolarHBondContact N-O 2.99Å; S704-G706 PolarHBondContact O-N 3.21Å; S704-G706 VanDerWaalsContact O-N 3.11Å; S704-Q714 VanDerWaalsContact CA-OE1 3.29Å; S704-Q714 VanDerWaalsContact CB-OE1 3.26Å
705E74.3Confident82.8Confident82 Ų8252.3 Ų52.338%0.38326%0.259SS..SBendtrans-75.998.3179.3-75.2-158.3176.300111.8R588 V708 Q714R588-E705 IonicContact CZ-OE2 3.27Å; R588-E705 IonicContact NH1-OE1 2.95Å; R588-E705 PolarHBondContact NH1-OE1 3.33Å; R588-E705 IonicContact NH1-OE2 3.61Å; R588-E705 PolarHBondContact NH1-OE2 2.95Å; R588-E705 IonicContact NH2-OE2 3.28Å; R588-E705 PolarHBondContact NH2-OE2 2.69Å; E705-V708 WeakPolarHBondContact O-CG2 3.41Å; E705-Q714 VanDerWaalsContact N-OE1 3.14Å
706G71.7Confident83.1Confident9 Ų947.9 Ų47.99%0.09324%0.235CC..SBendtrans66.4-158.9179.900000113.7P680 D681 S704 V708P680-G706 VanDerWaalsContact CB-O 3.26Å; P680-G706 WeakPolarHBondContact CB-O 3.34Å; D681-G706 WeakPolarHBondContact OD1-CA 3.41Å; D681-G706 PolarHBondContact OD1-N 3.37Å; S704-G706 PolarHBondContact O-N 3.21Å; S704-G706 VanDerWaalsContact O-N 3.11Å; G706-V708 PolarHBondContact O-N 2.85Å
707L70.1Confident83.2Confident143 Ų14351.9 Ų51.975%0.74926%0.256SS*.SBendtrans-83.2111.9178.8-61.2176.4000109.8P680 M682P680-L707 HydrophobicContact CB-CD2 4.32Å; P680-L707 HydrophobicContact CG-CD2 4.26Å; M682-L707 HydrophobicContact CE-CD1 4.48Å; M682-L707 HydrophobicContact CE-CD2 4.03Å; M682-L707 HydrophobicContact CE-CG 3.93Å; M682-L707 HydrophobicContact SD-CD2 4.33Å
708V72.1Confident83.3Confident53 Ų5354.4 Ų54.432%0.32127%0.267SS..  trans-125.2133.6-170.6-178.80000109.8E705 G706 D710 Q714E705-V708 WeakPolarHBondContact O-CG2 3.41Å; G706-V708 PolarHBondContact O-N 2.85Å; V708-D710 VanDerWaalsContact C-N 3.31Å; V708-D710 PolarHBondContact O-N 3.31Å; V708-Q714 HydrophobicContact CG1-CG 4.17Å
709H71.6Confident83.6Confident206 Ų20652.7 Ų52.795%0.95426%0.259SS*.SBendtrans-67.3-27.3-178.7-68.3-78.5000113.8
710D84.6Confident83.9Confident77 Ų7755.8 Ų55.841%0.41227%0.271SS..  trans-131.791.4175.2-176.6-5.2000111.8V708 L712 R713V708-D710 VanDerWaalsContact C-N 3.31Å; V708-D710 PolarHBondContact O-N 3.31Å; D710-L712 VanDerWaalsContact C-N 3.33Å; D710-L712 PolarHBondContact OD1-N 3.38Å; D710-R713 HydrophobicContact CB-CB 4.26Å; D710-R713 VanDerWaalsContact CG-CB 3.44Å; D710-R713 PolarHBondContact OD1-N 3.25Å; D710-R713 WeakPolarHBondContact OD2-CB 3.4Å
711P82.9Confident84Confident44 Ų4458.5 Ų58.529%0.28629%0.285SS..Hα-helixtrans-73-21.5176.828.7-34.4000113.4G678 Q714 K715G678-P711 WeakPolarHBondContact O-CB 3.03Å; P711-Q714 PolarHBondContact O-N 3.38Å; P711-K715 WeakPolarHBondContact O-CG 3.45Å; P711-K715 PolarHBondContact O-N 3.24Å
712L86.6Confident84Confident52 Ų5259 Ų5927%0.27229%0.288SS..Hα-helixtrans-74-38.4-179.6-65.1177.7000111.1D710 Q714 K715 T716 K738 V742D710-L712 VanDerWaalsContact C-N 3.33Å; D710-L712 PolarHBondContact OD1-N 3.38Å; L712-Q714 VanDerWaalsContact C-N 3.33Å; L712-Q714 PolarHBondContact O-N 2.95Å; L712-K715 PolarHBondContact O-N 2.8Å; L712-T716 PolarHBondContact O-N 3.1Å; L712-T716 PolarHBondContact O-OG1 3.17Å; L712-K738 HydrophobicContact CD1-CB 4.38Å; L712-K738 HydrophobicContact CD2-CB 4.44Å; L712-V742 HydrophobicContact CB-CG2 4.15Å; L712-V742 HydrophobicContact CD2-CG2 4.21Å
713R88.4Confident84.1Confident171 Ų17161 Ų6165%0.64530%0.299SS*.Hα-helixtrans-61.6-40.5170.6179.2175.1-179.9-174.9-0111.9D710 T716 I717D710-R713 HydrophobicContact CB-CB 4.26Å; D710-R713 VanDerWaalsContact CG-CB 3.44Å; D710-R713 PolarHBondContact OD1-N 3.25Å; D710-R713 WeakPolarHBondContact OD2-CB 3.4Å; R713-T716 WeakPolarHBondContact O-CB 3.44Å; R713-T716 PolarHBondContact O-N 3.08Å; R713-I717 HydrophobicContact CG-CD1 3.9Å; R713-I717 HydrophobicContact CG-CG1 4.49Å; R713-I717 WeakPolarHBondContact O-CG1 3.16Å; R713-I717 PolarHBondContact O-N 3.04Å
714Q86.2Confident84.2Confident56 Ų5666 Ų6626%0.26232%0.323SS..Hα-helixtrans-62.3-46.2173.8-79.4-163.4-18.500112.6S704 E705 V708 P711 L712 T716 I717 F718S704-Q714 VanDerWaalsContact CA-OE1 3.29Å; S704-Q714 VanDerWaalsContact CB-OE1 3.26Å; E705-Q714 VanDerWaalsContact N-OE1 3.14Å; V708-Q714 HydrophobicContact CG1-CG 4.17Å; P711-Q714 PolarHBondContact O-N 3.38Å; L712-Q714 VanDerWaalsContact C-N 3.33Å; L712-Q714 PolarHBondContact O-N 2.95Å; Q714-T716 PolarHBondContact O-N 2.89Å; Q714-I717 PolarHBondContact O-N 3.14Å; Q714-F718 WeakPolarHBondContact O-CB 3.31Å; Q714-F718 PolarHBondContact O-N 2.92Å
715K89.9Confident84.3Confident8 Ų871.8 Ų71.84%0.03535%0.349CS..Hα-helixtrans-53.4-42.6172.9-70.3-165.9-175.8-177.60111.8S637 I676 G678 P711 L712 L719 D739 V742S637-K715 PolarHBondContact OG-NZ 3.23Å; I676-K715 HydrophobicContact CD1-CB 3.73Å; I676-K715 HydrophobicContact CD1-CD 4.14Å; I676-K715 HydrophobicContact CD1-CG 3.75Å; I676-K715 HydrophobicContact CG1-CB 4.45Å; I676-K715 HydrophobicContact CG1-CD 4.1Å; I676-K715 HydrophobicContact CG1-CG 3.9Å; I676-K715 HydrophobicContact CG2-CD 4.45Å; G678-K715 VanDerWaalsContact N-CE 3.3Å; P711-K715 WeakPolarHBondContact O-CG 3.45Å; P711-K715 PolarHBondContact O-N 3.24Å; L712-K715 PolarHBondContact O-N 2.8Å; K715-L719 WeakPolarHBondContact O-CB 3.38Å; K715-L719 WeakPolarHBondContact O-CG 3.47Å; K715-L719 PolarHBondContact O-N 2.69Å; K715-D739 IonicContact NZ-OD1 3.95Å; K715-D739 PolarHBondContact NZ-OD1 3.25Å; K715-V742 HydrophobicContact CB-CG1 4.16Å
716T90.6Very high84.8Confident9 Ų968.2 Ų68.26%0.05533%0.333CS..Hα-helixtrans-66.2-48.3-178.5-49.50000111.9L712 R713 Q714 L719 K720 M745L712-T716 PolarHBondContact O-N 3.1Å; L712-T716 PolarHBondContact O-OG1 3.17Å; R713-T716 WeakPolarHBondContact O-CB 3.44Å; R713-T716 PolarHBondContact O-N 3.08Å; Q714-T716 PolarHBondContact O-N 2.89Å; T716-L719 PolarHBondContact O-N 2.72Å; T716-K720 HydrophobicContact CG2-CD 4.42Å; T716-K720 WeakPolarHBondContact O-CB 3.26Å; T716-K720 WeakPolarHBondContact O-CG 3.42Å; T716-K720 PolarHBondContact O-N 3.33Å; T716-M745 HydrophobicContact CG2-CB 4.06Å; T716-M745 HydrophobicContact CG2-CG 4.34Å; T716-M745 HydrophobicContact CG2-SD 3.73Å
717I90Very high85.5Confident84 Ų8471.7 Ų71.743%0.43135%0.347SS..Hα-helixtrans-60.9-48177.9-67.1165000110R713 Q714 L719 K720 N721R713-I717 HydrophobicContact CG-CD1 3.9Å; R713-I717 HydrophobicContact CG-CG1 4.49Å; R713-I717 WeakPolarHBondContact O-CG1 3.16Å; R713-I717 PolarHBondContact O-N 3.04Å; Q714-I717 PolarHBondContact O-N 3.14Å; I717-L719 PolarHBondContact O-N 3.5Å; I717-K720 WeakPolarHBondContact O-CB 3.42Å; I717-K720 PolarHBondContact O-N 3.1Å; I717-K720 VanDerWaalsContact O-N 3.16Å; I717-N721 PolarHBondContact O-N 3.48Å; I717-N721 PolarHBondContact O-OD1 3.29Å
718F88.6Confident86.3Confident59 Ų5965.2 Ų65.226%0.25931%0.313SS..Hα-helixtrans-57.7-48.3179.9176.5-99.3000112.8I676 F702 Q714 K720 N721 L722I676-F718 HydrophobicContact CD1-CD1 4.04Å; F702-F718 HydrophobicContact CB-CD1 4.23Å; F702-F718 HydrophobicContact CB-CE1 3.8Å; F702-F718 HydrophobicContact CB-CZ 4.05Å; F702-F718 AromaticContact CD1-CE1 3.78Å; F702-F718 HydrophobicContact CD1-CE1 3.78Å; F702-F718 AromaticContact CD1-CE2 3.56Å; F702-F718 HydrophobicContact CD1-CE2 3.56Å; F702-F718 AromaticContact CD1-CZ 3.13Å; F702-F718 HydrophobicContact CD1-CZ 3.13Å; F702-F718 AromaticContact CD2-CE1 3.45Å; F702-F718 HydrophobicContact CD2-CE1 3.45Å; F702-F718 VanDerWaalsContact CD2-CE1 3.45Å; F702-F718 AromaticContact CD2-CZ 3.54Å; F702-F718 HydrophobicContact CD2-CZ 3.54Å; F702-F718 HydrophobicContact CE1-CE1 4.23Å; F702-F718 AromaticContact CE1-CE2 3.81Å; F702-F718 HydrophobicContact CE1-CE2 3.81Å; F702-F718 AromaticContact CE1-CZ 3.3Å; F702-F718 HydrophobicContact CE1-CZ 3.3Å; F702-F718 AromaticContact CE2-CE1 3.94Å; F702-F718 HydrophobicContact CE2-CE1 3.94Å; F702-F718 AromaticContact CE2-CZ 3.69Å; F702-F718 HydrophobicContact CE2-CZ 3.69Å; F702-F718 HydrophobicContact CG-CD1 4.24Å; F702-F718 AromaticContact CG-CE1 3.35Å; F702-F718 HydrophobicContact CG-CE1 3.35Å; F702-F718 HydrophobicContact CG-CE2 4.03Å; F702-F718 AromaticContact CG-CZ 3.25Å; F702-F718 HydrophobicContact CG-CZ 3.25Å; F702-F718 HydrophobicContact CZ-CE1 4.31Å; F702-F718 HydrophobicContact CZ-CE2 4.47Å; F702-F718 AromaticContact CZ-CZ 3.59Å; F702-F718 HydrophobicContact CZ-CZ 3.59Å; Q714-F718 WeakPolarHBondContact O-CB 3.31Å; Q714-F718 PolarHBondContact O-N 2.92Å; F718-K720 VanDerWaalsContact C-N 3.34Å; F718-K720 PolarHBondContact O-N 3.48Å; F718-N721 PolarHBondContact O-N 2.89Å; F718-L722 HydrophobicContact CD1-CD1 4.33Å; F718-L722 HydrophobicContact CE1-CD1 3.4Å; F718-L722 VanDerWaalsContact CE1-CD1 3.4Å; F718-L722 HydrophobicContact CE1-CG 3.93Å; F718-L722 HydrophobicContact CE2-CD1 4.5Å; F718-L722 HydrophobicContact CE2-CD2 4.48Å; F718-L722 HydrophobicContact CE2-CG 4.27Å; F718-L722 HydrophobicContact CZ-CD1 3.49Å; F718-L722 VanDerWaalsContact CZ-CD1 3.49Å; F718-L722 HydrophobicContact CZ-CD2 4.05Å; F718-L722 HydrophobicContact CZ-CG 3.7Å; F718-L722 PolarHBondContact O-N 3.09Å
719L91.1Very high87.2Confident2 Ų268.2 Ų68.21%0.0132%0.321CS..Hα-helixtrans-67.9-32.2178.1-68.8173.2000112.5V635 I676 K715 T716 I717 L722 I723 V742 Y743 L746V635-L719 HydrophobicContact CG1-CD1 4.26Å; V635-L719 HydrophobicContact CG1-CD2 4.23Å; V635-L719 HydrophobicContact CG2-CD2 4.13Å; I676-L719 HydrophobicContact CD1-CD1 3.84Å; I676-L719 HydrophobicContact CD1-CD2 4.17Å; I676-L719 HydrophobicContact CD1-CG 3.79Å; K715-L719 WeakPolarHBondContact O-CB 3.38Å; K715-L719 WeakPolarHBondContact O-CG 3.47Å; K715-L719 PolarHBondContact O-N 2.69Å; T716-L719 PolarHBondContact O-N 2.72Å; I717-L719 PolarHBondContact O-N 3.5Å; L719-L722 HydrophobicContact CD2-CD1 4.45Å; L719-I723 VanDerWaalsContact O-CG1 3.31Å; L719-I723 WeakPolarHBondContact O-CG1 3.09Å; L719-I723 PolarHBondContact O-N 3.44Å; L719-I723 VanDerWaalsContact O-N 3.17Å; L719-V742 HydrophobicContact CD1-CG1 4.27Å; L719-Y743 HydrophobicContact CD1-CE1 4.32Å; L719-L746 HydrophobicContact CB-CD1 3.62Å; L719-L746 HydrophobicContact CB-CD2 3.76Å; L719-L746 HydrophobicContact CB-CG 4.35Å; L719-L746 HydrophobicContact CD1-CD1 3.65Å; L719-L746 HydrophobicContact CG-CD1 4.27Å
720K91.5Very high88.2Confident69 Ų6958.9 Ų58.930%0.328%0.279SS..Hα-helixtrans-63.1-46.9171.7-76.9-175.1176.7-172.30111.6T716 I717 F718 L722 I723 Q724 M745 L746T716-K720 HydrophobicContact CG2-CD 4.42Å; T716-K720 WeakPolarHBondContact O-CB 3.26Å; T716-K720 WeakPolarHBondContact O-CG 3.42Å; T716-K720 PolarHBondContact O-N 3.33Å; I717-K720 WeakPolarHBondContact O-CB 3.42Å; I717-K720 PolarHBondContact O-N 3.1Å; I717-K720 VanDerWaalsContact O-N 3.16Å; F718-K720 VanDerWaalsContact C-N 3.34Å; F718-K720 PolarHBondContact O-N 3.48Å; K720-L722 VanDerWaalsContact C-N 3.34Å; K720-L722 PolarHBondContact O-N 3.08Å; K720-I723 PolarHBondContact O-N 2.92Å; K720-Q724 WeakPolarHBondContact O-CB 3.41Å; K720-Q724 WeakPolarHBondContact O-CG 3.16Å; K720-Q724 PolarHBondContact O-N 3.47Å; K720-M745 WeakPolarHBondContact CE-O 3.19Å; K720-M745 PolarHBondContact NZ-O 3.22Å; K720-M745 VanDerWaalsContact NZ-O 3.16Å; K720-L746 HydrophobicContact CB-CD2 4.36Å; K720-L746 HydrophobicContact CG-CD2 3.47Å; K720-L746 VanDerWaalsContact CG-CD2 3.47Å
721N89.4Confident88.6Confident59 Ų5957 Ų5732%0.31627%0.268SS..Hα-helixtrans-61.2-42.1178.2-69.127.4000111.3I717 F718 I723 Q724 E725I717-N721 PolarHBondContact O-N 3.48Å; I717-N721 PolarHBondContact O-OD1 3.29Å; F718-N721 PolarHBondContact O-N 2.89Å; N721-I723 VanDerWaalsContact C-N 3.34Å; N721-I723 PolarHBondContact O-N 3.11Å; N721-Q724 PolarHBondContact O-N 2.71Å; N721-E725 VanDerWaalsContact O-CB 3.3Å; N721-E725 WeakPolarHBondContact O-CB 3.32Å; N721-E725 PolarHBondContact O-N 2.95Å
722L88.3Confident89.1Confident12 Ų1255.1 Ų55.16%0.06326%0.256CS..Hα-helixtrans-60.3-38.5174.4-76-171.4000113.8I534 I674 F718 L719 K720 C726 H727 I728I534-L722 HydrophobicContact CB-CD2 4.05Å; I534-L722 HydrophobicContact CD1-CD1 4.33Å; I534-L722 HydrophobicContact CD1-CD2 4.21Å; I534-L722 HydrophobicContact CG2-CD2 4.33Å; I674-L722 HydrophobicContact CD1-CD1 3.96Å; F718-L722 HydrophobicContact CD1-CD1 4.33Å; F718-L722 HydrophobicContact CE1-CD1 3.4Å; F718-L722 VanDerWaalsContact CE1-CD1 3.4Å; F718-L722 HydrophobicContact CE1-CG 3.93Å; F718-L722 HydrophobicContact CE2-CD1 4.5Å; F718-L722 HydrophobicContact CE2-CD2 4.48Å; F718-L722 HydrophobicContact CE2-CG 4.27Å; F718-L722 HydrophobicContact CZ-CD1 3.49Å; F718-L722 VanDerWaalsContact CZ-CD1 3.49Å; F718-L722 HydrophobicContact CZ-CD2 4.05Å; F718-L722 HydrophobicContact CZ-CG 3.7Å; F718-L722 PolarHBondContact O-N 3.09Å; L719-L722 HydrophobicContact CD2-CD1 4.45Å; K720-L722 VanDerWaalsContact C-N 3.34Å; K720-L722 PolarHBondContact O-N 3.08Å; L722-C726 CarbonylContact O-C 3.58Å; L722-C726 WeakPolarHBondContact O-CA 3.19Å; L722-C726 VanDerWaalsContact O-CB 3.3Å; L722-C726 WeakPolarHBondContact O-CB 3.26Å; L722-C726 PolarHBondContact O-N 2.88Å; L722-H727 PolarHBondContact O-N 3.42Å; L722-I728 HydrophobicContact CB-CD1 4.29Å; L722-I728 HydrophobicContact CD2-CD1 4.22Å; L722-I728 PolarHBondContact O-N 3.36Å
723I89.7Confident89.5Confident58 Ų5852.6 Ų52.630%0.29724%0.243SC..Hα-helixtrans-70.4-41.3176.6-65.2165000110.5L719 K720 N721 H727 I730 L746L719-I723 VanDerWaalsContact O-CG1 3.31Å; L719-I723 WeakPolarHBondContact O-CG1 3.09Å; L719-I723 PolarHBondContact O-N 3.44Å; L719-I723 VanDerWaalsContact O-N 3.17Å; K720-I723 PolarHBondContact O-N 2.92Å; N721-I723 VanDerWaalsContact C-N 3.34Å; N721-I723 PolarHBondContact O-N 3.11Å; I723-H727 VanDerWaalsContact O-CA 3.27Å; I723-H727 WeakPolarHBondContact O-CA 3.33Å; I723-H727 PolarHBondContact O-N 2.94Å; I723-I730 HydrophobicContact CD1-CD1 3.89Å; I723-I730 HydrophobicContact CD1-CG1 4.5Å; I723-I730 HydrophobicContact CG1-CD1 4.31Å; I723-L746 HydrophobicContact CD1-CB 4.43Å; I723-L746 HydrophobicContact CD1-CD2 4.02Å
724Q88.3Confident89.8Confident130 Ų13044.5 Ų44.561%0.60721%0.213SC*.Hα-helixtrans-79.7-50.5-174-70.2177.9-20.500113.2K720 N721 H727K720-Q724 WeakPolarHBondContact O-CB 3.41Å; K720-Q724 WeakPolarHBondContact O-CG 3.16Å; K720-Q724 PolarHBondContact O-N 3.47Å; N721-Q724 PolarHBondContact O-N 2.71Å; Q724-H727 PolarHBondContact O-CE1 3.5Å; Q724-H727 VanDerWaalsContact O-CE1 3.3Å; Q724-H727 PolarHBondContact O-ND1 3.33Å
725E84.5Confident90Very high125 Ų12541.8 Ų41.858%0.58420%0.2SC*.Hα-helixtrans-85.5-37-174.1-58.8174.2-178.500112.5N721N721-E725 VanDerWaalsContact O-CB 3.3Å; N721-E725 WeakPolarHBondContact O-CB 3.32Å; N721-E725 PolarHBondContact O-N 2.95Å
726C84Confident90Very high7 Ų742.2 Ų42.25%0.04720%0.204CC..SBendtrans-99.9-2.7-178.8-63.50000113.9I534 T536 L722 I728I534-C726 HydrophobicContact CG2-CB 4.34Å; T536-C726 HydrophobicContact CG2-CB 4.29Å; L722-C726 CarbonylContact O-C 3.58Å; L722-C726 WeakPolarHBondContact O-CA 3.19Å; L722-C726 VanDerWaalsContact O-CB 3.3Å; L722-C726 WeakPolarHBondContact O-CB 3.26Å; L722-C726 PolarHBondContact O-N 2.88Å; C726-I728 HydrophobicContact CB-CD1 3.79Å; C726-I728 HydrophobicContact CB-CG1 3.75Å; C726-I728 PolarHBondContact O-N 3.34Å
727H86.4Confident89.8Confident82 Ų8246.9 Ų46.938%0.3823%0.227SC..  trans51.936.3-179.1-54.2-48000113.7R629 G630 L722 I723 Q724R629-H727 HydrophobicContact CB-CB 4.49Å; R629-H727 PolarHBondContact NH1-NE2 2.98Å; G630-H727 WeakPolarHBondContact CA-O 3.31Å; G630-H727 PolarHBondContact N-O 2.82Å; L722-H727 PolarHBondContact O-N 3.42Å; I723-H727 VanDerWaalsContact O-CA 3.27Å; I723-H727 WeakPolarHBondContact O-CA 3.33Å; I723-H727 PolarHBondContact O-N 2.94Å; Q724-H727 PolarHBondContact O-CE1 3.5Å; Q724-H727 VanDerWaalsContact O-CE1 3.3Å; Q724-H727 PolarHBondContact O-ND1 3.33Å
728I88.5Confident89.7Confident6 Ų649.6 Ų49.63%0.03124%0.235CC..  trans-81.8136.5-178.8-59.9176000109.9I534 L627 M631 C633 L722 C726I534-I728 HydrophobicContact CG2-CD1 3.88Å; L627-I728 HydrophobicContact CD1-CD1 3.64Å; L627-I728 HydrophobicContact CD1-CG1 4.07Å; M631-I728 WeakPolarHBondContact O-CG2 3.33Å; C633-I728 HydrophobicContact CB-CG2 3.77Å; C633-I728 WeakPolarHBondContact SG-CG2 3.3Å; L722-I728 HydrophobicContact CB-CD1 4.29Å; L722-I728 HydrophobicContact CD2-CD1 4.22Å; L722-I728 PolarHBondContact O-N 3.36Å; C726-I728 HydrophobicContact CB-CD1 3.79Å; C726-I728 HydrophobicContact CB-CG1 3.75Å; C726-I728 PolarHBondContact O-N 3.34Å
729K90.3Very high89.7Confident116 Ų11647 Ų4750%0.50422%0.224SC..EExtended strand (participates in β ladder)trans-102.7110.9177.5-177.2-177.7168.1-151.10110.5M631 E632 C633 N731M631-K729 PolarHBondContact O-N 3.26Å; E632-K729 WeakPolarHBondContact CA-O 3.47Å; E632-K729 HydrophobicContact CG-CB 4.41Å; E632-K729 HydrophobicContact CG-CD 4.24Å; E632-K729 WeakPolarHBondContact OE1-CE 3.44Å; E632-K729 IonicContact OE1-NZ 2.68Å; E632-K729 PolarHBondContact OE1-NZ 3.11Å; C633-K729 PolarHBondContact N-O 3.44Å; K729-N731 PolarHBondContact O-N 3.3Å
730I92.8Very high89.7Confident11 Ų1147 Ų476%0.05622%0.224CC..EExtended strand (participates in β ladder)trans-73.6113.1174.2-56.1174.9000108.7V635 I723 S732 A733 L746 L748 Q752V635-I730 HydrophobicContact CG2-CD1 3.99Å; V635-I730 HydrophobicContact CG2-CG1 4.08Å; V635-I730 HydrophobicContact CG2-CG2 4.08Å; I723-I730 HydrophobicContact CD1-CD1 3.89Å; I723-I730 HydrophobicContact CD1-CG1 4.5Å; I723-I730 HydrophobicContact CG1-CD1 4.31Å; I730-S732 WeakPolarHBondContact CG2-O 3.17Å; I730-A733 HydrophobicContact CG2-CB 4.37Å; I730-L746 HydrophobicContact CD1-CD1 4.26Å; I730-L748 HydrophobicContact CB-CD1 4.49Å; I730-L748 HydrophobicContact CB-CD2 3.94Å; I730-L748 HydrophobicContact CD1-CD1 4.38Å; I730-L748 HydrophobicContact CD1-CD2 4.47Å; I730-L748 HydrophobicContact CG2-CD1 3.92Å; I730-L748 HydrophobicContact CG2-CD2 4.15Å; I730-Q752 PolarHBondContact O-NE2 2.91Å; I730-Q752 VanDerWaalsContact O-NE2 3.17Å
731N92.5Very high89.6Confident36 Ų3647 Ų4719%0.19323%0.233CC..EExtended strand (participates in β ladder)trans-79.8-39.6175.5-179.566000111.7C633 W666 Y671 K729 Q752C633-N731 PolarHBondContact O-N 3.03Å; W666-N731 VanDerWaalsContact CZ3-ND2 3.34Å; W666-N731 WeakPolarHBondContact CZ3-ND2 3.07Å; Y671-N731 HydrophobicContact CD1-CB 4.14Å; Y671-N731 HydrophobicContact CE1-CB 3.69Å; K729-N731 PolarHBondContact O-N 3.3Å; N731-Q752 WeakPolarHBondContact O-CG 3.44Å; N731-Q752 PolarHBondContact O-NE2 3.34Å
732S93.7Very high89.7Confident5 Ų544.3 Ų44.34%0.03522%0.218CC..EExtended strand (participates in β ladder)trans-152150179-59.90000111.1V634 V635 I730 Q752V634-S732 WeakPolarHBondContact CA-O 3.46Å; V634-S732 WeakPolarHBondContact CG1-O 3.46Å; V635-S732 PolarHBondContact N-O 2.99Å; I730-S732 WeakPolarHBondContact CG2-O 3.17Å; S732-Q752 CarbonylContact C-O 3.59Å; S732-Q752 WeakPolarHBondContact CA-O 3.34Å
733A94.4Very high89.9Confident0 Ų043.8 Ų43.80%022%0.216CC..EExtended strand (participates in β ladder)trans-131.3125.8179.800000110.6V635 I730 Y743 L748 Q752 Y754V635-A733 HydrophobicContact CB-CB 4.47Å; V635-A733 CarbonylContact O-C 3.52Å; V635-A733 WeakPolarHBondContact O-CA 3.47Å; I730-A733 HydrophobicContact CG2-CB 4.37Å; A733-Y743 HydrophobicContact CB-CD1 3.76Å; A733-Y743 HydrophobicContact CB-CD2 4.05Å; A733-Y743 HydrophobicContact CB-CE1 3.72Å; A733-Y743 HydrophobicContact CB-CE2 3.98Å; A733-Y743 HydrophobicContact CB-CG 3.94Å; A733-L748 HydrophobicContact CB-CD1 3.68Å; A733-Q752 PolarHBondContact N-O 3.33Å; A733-Y754 PolarHBondContact O-N 3.14Å
734Y94.5Very high90Very high0 Ų043.6 Ų43.60%022%0.215CC..EExtended strand (participates in β ladder)trans-111130.5-177.4-69.7-93.1000110.6V634 V635 F636 S637 V662 W666 Y743 Y754 L770 Y774 H777V634-Y734 HydrophobicContact CG1-CD2 3.76Å; V634-Y734 HydrophobicContact CG1-CE2 3.65Å; V635-Y734 PolarHBondContact O-N 3.06Å; F636-Y734 AromaticContact CD1-CD2 3.73Å; F636-Y734 HydrophobicContact CD1-CD2 3.73Å; F636-Y734 AromaticContact CD1-CG 3.73Å; F636-Y734 HydrophobicContact CD1-CG 3.73Å; F636-Y734 HydrophobicContact CE1-CD1 4.27Å; F636-Y734 AromaticContact CE1-CD2 3.27Å; F636-Y734 HydrophobicContact CE1-CD2 3.27Å; F636-Y734 AromaticContact CE1-CE2 3.83Å; F636-Y734 HydrophobicContact CE1-CE2 3.83Å; F636-Y734 AromaticContact CE1-CG 3.54Å; F636-Y734 HydrophobicContact CE1-CG 3.54Å; F636-Y734 AromaticContact CZ-CD2 3.76Å; F636-Y734 HydrophobicContact CZ-CD2 3.76Å; F636-Y734 HydrophobicContact CZ-CE2 4.01Å; F636-Y734 HydrophobicContact CZ-CG 4.46Å; S637-Y734 WeakPolarHBondContact CB-O 3.46Å; S637-Y734 PolarHBondContact N-O 3.03Å; V662-Y734 HydrophobicContact CG1-CE1 4.18Å; W666-Y734 WeakPolarHBondContact CZ2-OH 3.48Å; W666-Y734 AromaticContact NE1-CE2 3.65Å; W666-Y734 AromaticContact NE1-CZ 3.61Å; W666-Y734 PolarHBondContact NE1-OH 2.96Å; Y734-Y743 PolarHBondContact O-OH 3.16Å; Y734-Y754 WeakPolarHBondContact CA-O 3.37Å; Y734-Y754 VanDerWaalsContact CD1-CB 3.47Å; Y734-Y754 HydrophobicContact CD1-CD2 4.27Å; Y734-Y754 HydrophobicContact CD1-CG 4.15Å; Y734-Y754 AromaticContact CE1-CD2 3.7Å; Y734-Y754 HydrophobicContact CE1-CD2 3.7Å; Y734-Y754 AromaticContact CE1-CG 3.69Å; Y734-Y754 HydrophobicContact CE1-CG 3.69Å; Y734-Y754 AromaticContact CE2-CD2 3.99Å; Y734-Y754 HydrophobicContact CE2-CD2 3.99Å; Y734-Y754 AromaticContact CZ-CD2 3.52Å; Y734-L770 HydrophobicContact CD1-CD1 4.4Å; Y734-L770 HydrophobicContact CE1-CD1 4.3Å; Y734-Y774 AromaticContact CD1-CE1 3.81Å; Y734-Y774 HydrophobicContact CD1-CE1 3.81Å; Y734-Y774 HydrophobicContact CE1-CE1 4.28Å; Y734-H777 AromaticContact CE1-CD2 3.75Å; Y734-H777 AromaticContact CE1-NE2 3.46Å; Y734-H777 WeakPolarHBondContact CE1-NE2 3.32Å; Y734-H777 AromaticContact CZ-NE2 3.66Å; Y734-H777 PolarHBondContact OH-NE2 3.42Å
735G92Very high90.1Very high0 Ų042.9 Ų42.90%021%0.213CC..EExtended strand (participates in β ladder)trans-163.6-167.3-179.800000117.1Y754 I755 V756G735-Y754 PolarHBondContact N-O 3.02Å; G735-I755 WeakPolarHBondContact O-CA 3.35Å; G735-V756 PolarHBondContact O-N 3.27Å; G735-V756 VanDerWaalsContact O-N 3.14Å
736S88.1Confident90.3Very high17 Ų1738.1 Ų38.112%0.11919%0.192CC..  trans-96.2169.7173.773.50000110.8K738 D739S736-K738 PolarHBondContact O-N 3.12Å; S736-K738 PolarHBondContact OG-N 3.05Å; S736-D739 PolarHBondContact N-OD2 3.4Å; S736-D739 PolarHBondContact O-N 3.05Å; S736-D739 PolarHBondContact OG-OD2 3.25Å
737M87.3Confident90.6Very high107 Ų10741.1 Ų41.153%0.52722%0.223SC..THydrogen-bonded Turntrans-54.5-19.6173.6-67-176-72.700114.2I740 I755M737-I740 HydrophobicContact CB-CD1 4.45Å; M737-I755 HydrophobicContact CG-CG2 4.09Å
738K87.1Confident90.8Very high141 Ų14138.1 Ų38.161%0.61321%0.21SC*.THydrogen-bonded Turntrans-77.5-24.2175.9-60.8-174.9178.6-174.50113.2L712 S736L712-K738 HydrophobicContact CD1-CB 4.38Å; L712-K738 HydrophobicContact CD2-CB 4.44Å; S736-K738 PolarHBondContact O-N 3.12Å; S736-K738 PolarHBondContact OG-N 3.05Å
739D89.8Confident91Very high3 Ų340 Ų402%0.01622%0.224CC..THydrogen-bonded Turntrans-88.2-9.4-175.2-55.2-68.1000112.4S637 K715 S736 S741 V742 Y743S637-D739 WeakPolarHBondContact CB-OD2 3.32Å; S637-D739 PolarHBondContact OG-OD1 2.99Å; S637-D739 VanDerWaalsContact OG-OD1 3.12Å; S637-D739 PolarHBondContact OG-OD2 2.82Å; K715-D739 IonicContact NZ-OD1 3.95Å; K715-D739 PolarHBondContact NZ-OD1 3.25Å; S736-D739 PolarHBondContact N-OD2 3.4Å; S736-D739 PolarHBondContact O-N 3.05Å; S736-D739 PolarHBondContact OG-OD2 3.25Å; D739-S741 PolarHBondContact O-N 3.27Å; D739-V742 WeakPolarHBondContact O-CB 3.34Å; D739-V742 PolarHBondContact O-N 3.38Å; D739-V742 VanDerWaalsContact O-N 3.16Å; D739-Y743 HydrophobicContact CB-CD2 4.14Å; D739-Y743 HydrophobicContact CB-CE2 3.57Å; D739-Y743 WeakPolarHBondContact O-CD2 3.47Å; D739-Y743 PolarHBondContact O-N 3.08Å
740I90.6Very high91Very high2 Ų237 Ų371%0.0122%0.217CC..Hα-helixtrans-56.6-46.2179.6-62173.8000111.8M737 V742 Y743 N744 I755 Y763 Q766M737-I740 HydrophobicContact CB-CD1 4.45Å; I740-V742 VanDerWaalsContact C-N 3.32Å; I740-V742 PolarHBondContact O-N 3.39Å; I740-Y743 PolarHBondContact O-N 3.32Å; I740-N744 WeakPolarHBondContact O-CB 3.34Å; I740-N744 VanDerWaalsContact O-CG 3.26Å; I740-N744 PolarHBondContact O-N 2.98Å; I740-I755 HydrophobicContact CD1-CD1 4.46Å; I740-I755 HydrophobicContact CD1-CG1 4.06Å; I740-I755 HydrophobicContact CD1-CG2 4.43Å; I740-I755 HydrophobicContact CG1-CD1 3.65Å; I740-I755 HydrophobicContact CG1-CG1 3.72Å; I740-Y763 HydrophobicContact CD1-CD1 4.39Å; I740-Y763 HydrophobicContact CD1-CD2 3.93Å; I740-Y763 HydrophobicContact CD1-CG 3.81Å; I740-Y763 HydrophobicContact CG2-CD1 4.25Å; I740-Q766 HydrophobicContact CG2-CB 4.38Å
741S89.9Confident90.9Very high71 Ų7139.9 Ų39.950%0.49724%0.238SC..Hα-helixtrans-65.6-35.4179.3520000112.6D739 M745D739-S741 PolarHBondContact O-N 3.27Å; S741-M745 WeakPolarHBondContact O-CB 3.33Å; S741-M745 PolarHBondContact O-N 3.46Å
742V91.4Very high90.8Very high1 Ų140.4 Ų40.41%0.00624%0.239CC..Hα-helixtrans-61.3-52.6174.6178.40000109.4L712 K715 L719 D739 I740 M745 L746L712-V742 HydrophobicContact CB-CG2 4.15Å; L712-V742 HydrophobicContact CD2-CG2 4.21Å; K715-V742 HydrophobicContact CB-CG1 4.16Å; L719-V742 HydrophobicContact CD1-CG1 4.27Å; D739-V742 WeakPolarHBondContact O-CB 3.34Å; D739-V742 PolarHBondContact O-N 3.38Å; D739-V742 VanDerWaalsContact O-N 3.16Å; I740-V742 VanDerWaalsContact C-N 3.32Å; I740-V742 PolarHBondContact O-N 3.39Å; V742-M745 PolarHBondContact O-N 3.47Å; V742-L746 HydrophobicContact CG1-CD1 4.47Å; V742-L746 WeakPolarHBondContact O-CG 3.32Å; V742-L746 PolarHBondContact O-N 3.25Å
743Y93Very high90.8Very high1 Ų140.2 Ų40.20%0.00424%0.237CC..Hα-helixtrans-67.6-38.3-176.9-60.1-36.5000113.5V635 L719 A733 Y734 D739 I740 M745 L746 G747 L748 I753V635-Y743 HydrophobicContact CG1-CE1 4.33Å; L719-Y743 HydrophobicContact CD1-CE1 4.32Å; A733-Y743 HydrophobicContact CB-CD1 3.76Å; A733-Y743 HydrophobicContact CB-CD2 4.05Å; A733-Y743 HydrophobicContact CB-CE1 3.72Å; A733-Y743 HydrophobicContact CB-CE2 3.98Å; A733-Y743 HydrophobicContact CB-CG 3.94Å; Y734-Y743 PolarHBondContact O-OH 3.16Å; D739-Y743 HydrophobicContact CB-CD2 4.14Å; D739-Y743 HydrophobicContact CB-CE2 3.57Å; D739-Y743 WeakPolarHBondContact O-CD2 3.47Å; D739-Y743 PolarHBondContact O-N 3.08Å; I740-Y743 PolarHBondContact O-N 3.32Å; Y743-M745 VanDerWaalsContact C-N 3.34Å; Y743-M745 PolarHBondContact O-N 3.42Å; Y743-L746 HydrophobicContact CD1-CD1 4.25Å; Y743-L746 WeakPolarHBondContact O-CB 3.41Å; Y743-L746 PolarHBondContact O-N 3.39Å; Y743-G747 PolarHBondContact O-N 2.84Å; Y743-L748 HydrophobicContact CD1-CD1 4.25Å; Y743-L748 HydrophobicContact CG-CD1 4.42Å; Y743-L748 PolarHBondContact O-N 2.84Å; Y743-I753 HydrophobicContact CD2-CG2 3.82Å; Y743-I753 HydrophobicContact CG-CG2 4.49Å
744N90.5Very high90.8Very high54 Ų5442 Ų4229%0.28924%0.244SC..Hα-helixtrans-63.1-39172.5-71.1-13000111.8I740 L746 G747 I753 Q766I740-N744 WeakPolarHBondContact O-CB 3.34Å; I740-N744 VanDerWaalsContact O-CG 3.26Å; I740-N744 PolarHBondContact O-N 2.98Å; N744-L746 PolarHBondContact O-N 3.4Å; N744-G747 PolarHBondContact O-N 3.12Å; N744-I753 WeakPolarHBondContact OD1-CD1 3.41Å; N744-Q766 PolarHBondContact ND2-OE1 3.14Å
745M90.2Very high90.7Very high116 Ų11642 Ų4257%0.57124%0.244SC*.Hα-helixtrans-73-10.8178.4-152.3-164.1-67.500113.6T716 K720 S741 V742 Y743T716-M745 HydrophobicContact CG2-CB 4.06Å; T716-M745 HydrophobicContact CG2-CG 4.34Å; T716-M745 HydrophobicContact CG2-SD 3.73Å; K720-M745 WeakPolarHBondContact CE-O 3.19Å; K720-M745 PolarHBondContact NZ-O 3.22Å; K720-M745 VanDerWaalsContact NZ-O 3.16Å; S741-M745 WeakPolarHBondContact O-CB 3.33Å; S741-M745 PolarHBondContact O-N 3.46Å; V742-M745 PolarHBondContact O-N 3.47Å; Y743-M745 VanDerWaalsContact C-N 3.34Å; Y743-M745 PolarHBondContact O-N 3.42Å
746L89.9Confident90.5Very high25 Ų2542.7 Ų42.713%0.13125%0.248CC..THydrogen-bonded Turntrans-88.4-5.7168.5-62.7169000112.8L719 K720 I723 I730 V742 Y743 N744 L748L719-L746 HydrophobicContact CB-CD1 3.62Å; L719-L746 HydrophobicContact CB-CD2 3.76Å; L719-L746 HydrophobicContact CB-CG 4.35Å; L719-L746 HydrophobicContact CD1-CD1 3.65Å; L719-L746 HydrophobicContact CG-CD1 4.27Å; K720-L746 HydrophobicContact CB-CD2 4.36Å; K720-L746 HydrophobicContact CG-CD2 3.47Å; K720-L746 VanDerWaalsContact CG-CD2 3.47Å; I723-L746 HydrophobicContact CD1-CB 4.43Å; I723-L746 HydrophobicContact CD1-CD2 4.02Å; I730-L746 HydrophobicContact CD1-CD1 4.26Å; V742-L746 HydrophobicContact CG1-CD1 4.47Å; V742-L746 WeakPolarHBondContact O-CG 3.32Å; V742-L746 PolarHBondContact O-N 3.25Å; Y743-L746 HydrophobicContact CD1-CD1 4.25Å; Y743-L746 WeakPolarHBondContact O-CB 3.41Å; Y743-L746 PolarHBondContact O-N 3.39Å; N744-L746 PolarHBondContact O-N 3.4Å; L746-L748 HydrophobicContact CB-CG 4.21Å
747G89.3Confident90.2Very high69 Ų6943.1 Ų43.171%0.71126%0.256SS*.THydrogen-bonded Turntrans76.619.5-178.400000114.7Y743 N744Y743-G747 PolarHBondContact O-N 2.84Å; N744-G747 PolarHBondContact O-N 3.12Å
748L91.9Very high89.9Confident20 Ų2048.6 Ų48.611%0.10527%0.271CS..  trans-70.3140176-58.1-177000110.7I730 A733 Y743 L746 I753I730-L748 HydrophobicContact CB-CD1 4.49Å; I730-L748 HydrophobicContact CB-CD2 3.94Å; I730-L748 HydrophobicContact CD1-CD1 4.38Å; I730-L748 HydrophobicContact CD1-CD2 4.47Å; I730-L748 HydrophobicContact CG2-CD1 3.92Å; I730-L748 HydrophobicContact CG2-CD2 4.15Å; A733-L748 HydrophobicContact CB-CD1 3.68Å; Y743-L748 HydrophobicContact CD1-CD1 4.25Å; Y743-L748 HydrophobicContact CG-CD1 4.42Å; Y743-L748 PolarHBondContact O-N 2.84Å; L746-L748 HydrophobicContact CB-CG 4.21Å; L748-I753 HydrophobicContact CB-CD1 4.08Å; L748-I753 HydrophobicContact CB-CG1 3.96Å
749S91.9Very high89.5Confident44 Ų4445.4 Ų45.431%0.30826%0.264SS..  trans-74.7152.8179.667.90000111.7S751 Q752S749-S751 PolarHBondContact O-N 2.99Å; S749-S751 PolarHBondContact OG-OG 3.07Å; S749-Q752 VanDerWaalsContact N-OE1 3.16Å; S749-Q752 PolarHBondContact O-N 3.02Å; S749-Q752 WeakPolarHBondContact OG-CG 3.38Å; S749-Q752 PolarHBondContact OG-OE1 3.49Å
750P90.1Very high89Confident55 Ų5547.1 Ų47.136%0.35728%0.276SS..THydrogen-bonded Turntrans-56.8-21.3179.9-29.737.1000115.4N765 C767 Q768P750-N765 WeakPolarHBondContact CG-O 3.47Å; P750-C767 CarbonylContact O-C 3.54Å; P750-C767 WeakPolarHBondContact O-CA 3.4Å; P750-Q768 PolarHBondContact O-N 2.94Å; P750-Q768 PolarHBondContact O-NE2 2.93Å
751S89.6Confident88.5Confident71 Ų7156.4 Ų56.450%0.49732%0.317SS..THydrogen-bonded Turntrans-77.5-17.4174.650.30000114.5S749 Y754S749-S751 PolarHBondContact O-N 2.99Å; S749-S751 PolarHBondContact OG-OG 3.07Å; S751-Y754 PolarHBondContact O-OH 3.4Å
752Q91.9Very high88Confident47 Ų4760.2 Ų60.222%0.2232%0.324CS..THydrogen-bonded Turntrans-97.9-13.8179.9-62.4178.9-77.300113.1I730 N731 S732 A733 S749I730-Q752 PolarHBondContact O-NE2 2.91Å; I730-Q752 VanDerWaalsContact O-NE2 3.17Å; N731-Q752 WeakPolarHBondContact O-CG 3.44Å; N731-Q752 PolarHBondContact O-NE2 3.34Å; S732-Q752 CarbonylContact C-O 3.59Å; S732-Q752 WeakPolarHBondContact CA-O 3.34Å; A733-Q752 PolarHBondContact N-O 3.33Å; S749-Q752 VanDerWaalsContact N-OE1 3.16Å; S749-Q752 PolarHBondContact O-N 3.02Å; S749-Q752 WeakPolarHBondContact OG-CG 3.38Å; S749-Q752 PolarHBondContact OG-OE1 3.49Å
753I94.3Very high87.6Confident0 Ų063 Ų630%034%0.335CS..EExtended strand (participates in β ladder)trans-98.2115.3-175.9-57.3171.2000109Y743 N744 L748 I755 C767 Q768Y743-I753 HydrophobicContact CD2-CG2 3.82Å; Y743-I753 HydrophobicContact CG-CG2 4.49Å; N744-I753 WeakPolarHBondContact OD1-CD1 3.41Å; L748-I753 HydrophobicContact CB-CD1 4.08Å; L748-I753 HydrophobicContact CB-CG1 3.96Å; I753-I755 HydrophobicContact CG2-CD1 3.87Å; I753-I755 HydrophobicContact CG2-CG1 4.07Å; I753-C767 HydrophobicContact CB-CB 3.96Å; I753-C767 HydrophobicContact CG2-CB 3.62Å; I753-Q768 PolarHBondContact O-N 3.04Å
754Y93.8Very high86.8Confident39 Ų3968.5 Ų68.515%0.15336%0.361CS..EExtended strand (participates in β ladder)trans-112.6118.7-179.2-63.8-75.7000111.1A733 Y734 G735 S751 Q768 L770 H777A733-Y754 PolarHBondContact O-N 3.14Å; Y734-Y754 WeakPolarHBondContact CA-O 3.37Å; Y734-Y754 VanDerWaalsContact CD1-CB 3.47Å; Y734-Y754 HydrophobicContact CD1-CD2 4.27Å; Y734-Y754 HydrophobicContact CD1-CG 4.15Å; Y734-Y754 AromaticContact CE1-CD2 3.7Å; Y734-Y754 HydrophobicContact CE1-CD2 3.7Å; Y734-Y754 AromaticContact CE1-CG 3.69Å; Y734-Y754 HydrophobicContact CE1-CG 3.69Å; Y734-Y754 AromaticContact CE2-CD2 3.99Å; Y734-Y754 HydrophobicContact CE2-CD2 3.99Å; Y734-Y754 AromaticContact CZ-CD2 3.52Å; G735-Y754 PolarHBondContact N-O 3.02Å; S751-Y754 PolarHBondContact O-OH 3.4Å; Y754-Q768 CarbonylContact C-O 3.55Å; Y754-Q768 WeakPolarHBondContact CA-O 3.24Å; Y754-Q768 HydrophobicContact CD1-CB 3.63Å; Y754-Q768 HydrophobicContact CD1-CG 4.22Å; Y754-Q768 HydrophobicContact CE1-CB 3.85Å; Y754-Q768 HydrophobicContact CE1-CG 3.95Å; Y754-L770 HydrophobicContact CD1-CD2 3.99Å; Y754-H777 AromaticContact CD1-CE1 3.62Å; Y754-H777 AromaticContact CD1-NE2 3.97Å; Y754-H777 AromaticContact CE1-CE1 3.43Å; Y754-H777 VanDerWaalsContact CE1-CE1 3.43Å; Y754-H777 WeakPolarHBondContact CE1-CE1 3.38Å; Y754-H777 AromaticContact CZ-CE1 3.93Å
755I92.6Very high86.5Confident0 Ų072.9 Ų72.90%038%0.384CS..EExtended strand (participates in β ladder)trans-117124.3-174.9-56.1-60.2000110.6G735 M737 I740 I753 C767 Q768 F769 L770G735-I755 WeakPolarHBondContact O-CA 3.35Å; M737-I755 HydrophobicContact CG-CG2 4.09Å; I740-I755 HydrophobicContact CD1-CD1 4.46Å; I740-I755 HydrophobicContact CD1-CG1 4.06Å; I740-I755 HydrophobicContact CD1-CG2 4.43Å; I740-I755 HydrophobicContact CG1-CD1 3.65Å; I740-I755 HydrophobicContact CG1-CG1 3.72Å; I753-I755 HydrophobicContact CG2-CD1 3.87Å; I753-I755 HydrophobicContact CG2-CG1 4.07Å; I755-C767 HydrophobicContact CG1-CB 3.72Å; I755-Q768 PolarHBondContact N-O 2.9Å; I755-F769 HydrophobicContact CB-CD1 4.34Å; I755-F769 HydrophobicContact CB-CE1 4.38Å; I755-F769 HydrophobicContact CG2-CD1 4.34Å; I755-F769 HydrophobicContact CG2-CE1 4.08Å; I755-F769 WeakPolarHBondContact O-CA 3.32Å; I755-L770 PolarHBondContact O-N 3.01Å
756V87.2Confident86.3Confident13 Ų1370.8 Ų70.88%0.07937%0.373CS..EExtended strand (participates in β ladder)trans-80.1128.8179.7-172.60000111.1G735 L770 Y774G735-V756 PolarHBondContact O-N 3.27Å; G735-V756 VanDerWaalsContact O-N 3.14Å; V756-L770 HydrophobicContact CG2-CD1 4.36Å; V756-Y774 HydrophobicContact CG2-CD2 4.33Å; V756-Y774 HydrophobicContact CG2-CE1 4.01Å; V756-Y774 HydrophobicContact CG2-CE2 3.54Å; V756-Y774 WeakPolarHBondContact CG2-OH 3.37Å
757G82.1Confident86.3Confident27 Ų2769.8 Ų69.828%0.27837%0.368SS..SBendtrans130-172.7175.600000113.1L770G757-L770 PolarHBondContact N-O 3.24Å
758R80Confident86.4Confident222 Ų22270.9 Ų70.984%0.83836%0.355SS*.SBendtrans-73.1141.6-179.2-66.9-176.4178.7175.2-0.7111.1S760 F769R758-S760 PolarHBondContact O-N 2.9Å; R758-F769 WeakPolarHBondContact O-CE1 3.26Å
759P79.3Confident86.4Confident73 Ų7371.4 Ų71.447%0.47436%0.356SS..  trans-54.9132.8174.7-25.333.6000112.5F769P759-F769 HydrophobicContact CB-CB 4.39Å; P759-F769 HydrophobicContact CB-CD2 4.05Å; P759-F769 HydrophobicContact CB-CE2 4.49Å; P759-F769 HydrophobicContact CB-CG 4.1Å; P759-F769 HydrophobicContact CG-CB 3.94Å; P759-F769 HydrophobicContact CG-CG 4.17Å
760S79.7Confident86.3Confident39 Ų3970 Ų7027%0.27335%0.345SS..  trans-106.5126.9170.4177.50000109.5R758 K762 Y763 Q764R758-S760 PolarHBondContact O-N 2.9Å; S760-K762 PolarHBondContact O-N 2.95Å; S760-Y763 PolarHBondContact O-N 2.95Å; S760-Q764 PolarHBondContact O-N 3.09Å
761K79Confident86Confident198 Ų19870.5 Ų70.586%0.86135%0.35SS*.THydrogen-bonded Turntrans-51.4-28.9179-65.5-172.1177.9-1740113Y763K761-Y763 PolarHBondContact O-N 3.27Å
762K81Confident85.7Confident150 Ų15073.1 Ų73.165%0.65236%0.359SS*.THydrogen-bonded Turntrans-68.3-29178.7-173.2177.4175.7-165.20114S760S760-K762 PolarHBondContact O-N 2.95Å
763Y82.2Confident85.5Confident59 Ų5972.1 Ų72.123%0.23136%0.36CS..THydrogen-bonded Turntrans-123.17.8-169.8-54.8-62.6000113.8I740 S760 K761 N765 Q766I740-Y763 HydrophobicContact CD1-CD1 4.39Å; I740-Y763 HydrophobicContact CD1-CD2 3.93Å; I740-Y763 HydrophobicContact CD1-CG 3.81Å; I740-Y763 HydrophobicContact CG2-CD1 4.25Å; S760-Y763 PolarHBondContact O-N 2.95Å; K761-Y763 PolarHBondContact O-N 3.27Å; Y763-N765 VanDerWaalsContact C-N 3.25Å; Y763-N765 PolarHBondContact O-N 3.38Å; Y763-Q766 PolarHBondContact O-N 2.93Å
764Q76.7Confident85.3Confident118 Ų11872.2 Ų72.255%0.55136%0.361SS*.THydrogen-bonded Turntrans-59.3-30.9-172.4-170.3165.6-4.900114.1S760S760-Q764 PolarHBondContact O-N 3.09Å
765N83.3Confident85Confident146 Ų14672.9 Ų72.978%0.78138%0.375SS*.THydrogen-bonded Turntrans-94.73.2177.8-61.9-3.5000113.3P750 Y763P750-N765 WeakPolarHBondContact CG-O 3.47Å; Y763-N765 VanDerWaalsContact C-N 3.25Å; Y763-N765 PolarHBondContact O-N 3.38Å
766Q86.4Confident84.8Confident72 Ų7275 Ų7534%0.33639%0.392SS..THydrogen-bonded Turntrans-109.2-12.7-174.5-60.8-178.514.300113.2I740 N744 Y763I740-Q766 HydrophobicContact CG2-CB 4.38Å; N744-Q766 PolarHBondContact ND2-OE1 3.14Å; Y763-Q766 PolarHBondContact O-N 2.93Å
767C90.5Very high85Confident4 Ų475.1 Ų75.13%0.02739%0.392CS..SBendtrans-160.9161.4-178.358.80000112.2P750 I753 I755 F769P750-C767 CarbonylContact O-C 3.54Å; P750-C767 WeakPolarHBondContact O-CA 3.4Å; I753-C767 HydrophobicContact CB-CB 3.96Å; I753-C767 HydrophobicContact CG2-CB 3.62Å; I755-C767 HydrophobicContact CG1-CB 3.72Å; C767-F769 VanDerWaalsContact SG-CE2 3.54Å
768Q91.4Very high85.3Confident92 Ų9275 Ų7543%0.4338%0.384SS..EExtended strand (participates in β ladder)trans-84121.8166.6-59.1-54.9-50.900109.8P750 I753 Y754 I755P750-Q768 PolarHBondContact O-N 2.94Å; P750-Q768 PolarHBondContact O-NE2 2.93Å; I753-Q768 PolarHBondContact O-N 3.04Å; Y754-Q768 CarbonylContact C-O 3.55Å; Y754-Q768 WeakPolarHBondContact CA-O 3.24Å; Y754-Q768 HydrophobicContact CD1-CB 3.63Å; Y754-Q768 HydrophobicContact CD1-CG 4.22Å; Y754-Q768 HydrophobicContact CE1-CB 3.85Å; Y754-Q768 HydrophobicContact CE1-CG 3.95Å; I755-Q768 PolarHBondContact N-O 2.9Å
769F90.6Very high85.6Confident30 Ų3068 Ų6813%0.13237%0.369CS..EExtended strand (participates in β ladder)trans-87.4129.1175-80.2-85000111.3I755 R758 P759 C767 S771I755-F769 HydrophobicContact CB-CD1 4.34Å; I755-F769 HydrophobicContact CB-CE1 4.38Å; I755-F769 HydrophobicContact CG2-CD1 4.34Å; I755-F769 HydrophobicContact CG2-CE1 4.08Å; I755-F769 WeakPolarHBondContact O-CA 3.32Å; R758-F769 WeakPolarHBondContact O-CE1 3.26Å; P759-F769 HydrophobicContact CB-CB 4.39Å; P759-F769 HydrophobicContact CB-CD2 4.05Å; P759-F769 HydrophobicContact CB-CE2 4.49Å; P759-F769 HydrophobicContact CB-CG 4.1Å; P759-F769 HydrophobicContact CG-CB 3.94Å; P759-F769 HydrophobicContact CG-CG 4.17Å; C767-F769 VanDerWaalsContact SG-CE2 3.54Å; F769-S771 PolarHBondContact O-N 2.81Å
770L89.9Confident86Confident14 Ų1469.1 Ų69.17%0.07338%0.375CS..EExtended strand (participates in β ladder)trans-91.475.6171.5-52.3-172.6000108.9Y734 Y754 I755 V756 G757 D772 G773 Y774 H777Y734-L770 HydrophobicContact CD1-CD1 4.4Å; Y734-L770 HydrophobicContact CE1-CD1 4.3Å; Y754-L770 HydrophobicContact CD1-CD2 3.99Å; I755-L770 PolarHBondContact O-N 3.01Å; V756-L770 HydrophobicContact CG2-CD1 4.36Å; G757-L770 PolarHBondContact N-O 3.24Å; L770-D772 VanDerWaalsContact C-N 3.35Å; L770-G773 PolarHBondContact O-N 2.8Å; L770-Y774 HydrophobicContact CD1-CD1 3.91Å; L770-Y774 HydrophobicContact CD1-CE1 3.93Å; L770-H777 HydrophobicContact CD1-CB 4.09Å; L770-H777 HydrophobicContact CD2-CB 3.95Å; L770-H777 WeakPolarHBondContact CD2-ND1 3.25Å
771S84.8Confident86.4Confident66 Ų6667.9 Ų67.946%0.46237%0.365SS..THydrogen-bonded Turntrans-60-44178.239.40000112.4F769 G773F769-S771 PolarHBondContact O-N 2.81Å; S771-G773 VanDerWaalsContact C-N 3.28Å; S771-G773 PolarHBondContact O-N 3.36Å
772D83.9Confident86.7Confident127 Ų12762.5 Ų62.568%0.67934%0.343SS*.THydrogen-bonded Turntrans-93.712.3-172.7-46.6-60.5000112.2L770 A776L770-D772 VanDerWaalsContact C-N 3.35Å; D772-A776 HydrophobicContact CB-CB 3.71Å
773G86.3Confident86.5Confident25 Ų2563.4 Ų63.426%0.25835%0.347SS..Hα-helixtrans77-175.3176.900000114.8L770 S771 A775 H777L770-G773 PolarHBondContact O-N 2.8Å; S771-G773 VanDerWaalsContact C-N 3.28Å; S771-G773 PolarHBondContact O-N 3.36Å; G773-A775 PolarHBondContact O-N 3.43Å; G773-H777 PolarHBondContact O-N 3.16Å
774Y90Very high85.9Confident2 Ų262.3 Ų62.31%0.00835%0.354CS..Hα-helixtrans-71.7-27.8-174.3-75.4-69.4000114S641 F642 R656 G658 A659 V662 Y734 V756 L770 H777 L778S641-Y774 PolarHBondContact OG-OH 2.95Å; F642-Y774 HydrophobicContact CD1-CE2 4.23Å; R656-Y774 HydrophobicContact CB-CD2 4.12Å; R656-Y774 HydrophobicContact CB-CE2 4.4Å; G658-Y774 VanDerWaalsContact C-CB 3.48Å; A659-Y774 HydrophobicContact CB-CD2 3.53Å; A659-Y774 HydrophobicContact CB-CE2 3.74Å; A659-Y774 HydrophobicContact CB-CG 4.18Å; V662-Y774 HydrophobicContact CB-CD1 4.24Å; V662-Y774 HydrophobicContact CG1-CD1 4.34Å; V662-Y774 HydrophobicContact CG2-CD1 4Å; V662-Y774 HydrophobicContact CG2-CG 4.46Å; V662-Y774 WeakPolarHBondContact CG2-O 3.5Å; Y734-Y774 AromaticContact CD1-CE1 3.81Å; Y734-Y774 HydrophobicContact CD1-CE1 3.81Å; Y734-Y774 HydrophobicContact CE1-CE1 4.28Å; V756-Y774 HydrophobicContact CG2-CD2 4.33Å; V756-Y774 HydrophobicContact CG2-CE1 4.01Å; V756-Y774 HydrophobicContact CG2-CE2 3.54Å; V756-Y774 WeakPolarHBondContact CG2-OH 3.37Å; L770-Y774 HydrophobicContact CD1-CD1 3.91Å; L770-Y774 HydrophobicContact CD1-CE1 3.93Å; Y774-H777 PolarHBondContact O-N 2.96Å; Y774-L778 WeakPolarHBondContact O-CB 3.19Å; Y774-L778 PolarHBondContact O-N 2.99Å
775A87.6Confident85.5Confident54 Ų5460 Ų6045%0.44634%0.343SS..Hα-helixtrans-65.8-45.9179.900000112.2G773 L778 S779G773-A775 PolarHBondContact O-N 3.43Å; A775-L778 PolarHBondContact O-N 2.73Å; A775-S779 PolarHBondContact O-N 3.47Å; A775-S779 PolarHBondContact O-OG 3.45Å
776A88.3Confident84.2Confident43 Ų4363.5 Ų63.536%0.35535%0.345SS..Hα-helixtrans-63.6-42.7173.700000111.6D772 L778 S779 T780D772-A776 HydrophobicContact CB-CB 3.71Å; A776-L778 VanDerWaalsContact C-N 3.34Å; A776-L778 PolarHBondContact O-N 2.92Å; A776-S779 WeakPolarHBondContact O-CB 3.39Å; A776-S779 PolarHBondContact O-N 3.14Å; A776-T780 PolarHBondContact O-N 3.25Å; A776-T780 PolarHBondContact O-OG1 3.01Å
777H92Very high82Confident17 Ų1763.8 Ų63.88%0.07936%0.36CS..Hα-helixtrans-60.3-40.8176.3-174.155.1000113Y734 Y754 L770 G773 Y774 S779 T780 L781Y734-H777 AromaticContact CE1-CD2 3.75Å; Y734-H777 AromaticContact CE1-NE2 3.46Å; Y734-H777 WeakPolarHBondContact CE1-NE2 3.32Å; Y734-H777 AromaticContact CZ-NE2 3.66Å; Y734-H777 PolarHBondContact OH-NE2 3.42Å; Y754-H777 AromaticContact CD1-CE1 3.62Å; Y754-H777 AromaticContact CD1-NE2 3.97Å; Y754-H777 AromaticContact CE1-CE1 3.43Å; Y754-H777 VanDerWaalsContact CE1-CE1 3.43Å; Y754-H777 WeakPolarHBondContact CE1-CE1 3.38Å; Y754-H777 AromaticContact CZ-CE1 3.93Å; L770-H777 HydrophobicContact CD1-CB 4.09Å; L770-H777 HydrophobicContact CD2-CB 3.95Å; L770-H777 WeakPolarHBondContact CD2-ND1 3.25Å; G773-H777 PolarHBondContact O-N 3.16Å; Y774-H777 PolarHBondContact O-N 2.96Å; H777-S779 VanDerWaalsContact C-N 3.33Å; H777-S779 PolarHBondContact O-N 2.89Å; H777-T780 WeakPolarHBondContact O-CB 3.4Å; H777-T780 PolarHBondContact O-N 2.93Å; H777-L781 WeakPolarHBondContact O-CG 3.29Å; H777-L781 PolarHBondContact O-N 3.2Å
778L88.7Confident79.8Confident24 Ų2473.3 Ų73.313%0.12640%0.396CS..Hα-helixtrans-59-43.6176.3-179.461.5000111.6D661 V662 H665 Y774 A775 A776 T780 L781 Q782D661-L778 HydrophobicContact CB-CD2 3.65Å; V662-L778 HydrophobicContact CG2-CB 3.82Å; V662-L778 HydrophobicContact CG2-CD1 4.21Å; H665-L778 HydrophobicContact CB-CD1 3.8Å; Y774-L778 WeakPolarHBondContact O-CB 3.19Å; Y774-L778 PolarHBondContact O-N 2.99Å; A775-L778 PolarHBondContact O-N 2.73Å; A776-L778 VanDerWaalsContact C-N 3.34Å; A776-L778 PolarHBondContact O-N 2.92Å; L778-T780 VanDerWaalsContact C-N 3.33Å; L778-T780 PolarHBondContact O-N 2.93Å; L778-L781 PolarHBondContact O-N 3.24Å; L778-Q782 HydrophobicContact CD1-CG 4.2Å; L778-Q782 HydrophobicContact CG-CG 4.4Å; L778-Q782 WeakPolarHBondContact O-CB 3.26Å; L778-Q782 VanDerWaalsContact O-CG 3.3Å; L778-Q782 WeakPolarHBondContact O-CG 3.43Å; L778-Q782 PolarHBondContact O-N 2.9Å
779S87Confident77.2Confident75 Ų7574.4 Ų74.452%0.52441%0.41SS..Hα-helixtrans-59.2-44.3175.9-56.60000111.5A775 A776 H777 Q782 F783A775-S779 PolarHBondContact O-N 3.47Å; A775-S779 PolarHBondContact O-OG 3.45Å; A776-S779 WeakPolarHBondContact O-CB 3.39Å; A776-S779 PolarHBondContact O-N 3.14Å; H777-S779 VanDerWaalsContact C-N 3.33Å; H777-S779 PolarHBondContact O-N 2.89Å; S779-Q782 PolarHBondContact O-N 3.13Å; S779-F783 WeakPolarHBondContact O-CB 3.44Å; S779-F783 PolarHBondContact O-N 3.42Å
780T87.5Confident75Confident97 Ų9782.7 Ų82.760%0.59545%0.447SS*.Hα-helixtrans-62.5-43.4175.1-54.40000112.3A776 H777 L778 F783 G784A776-T780 PolarHBondContact O-N 3.25Å; A776-T780 PolarHBondContact O-OG1 3.01Å; H777-T780 WeakPolarHBondContact O-CB 3.4Å; H777-T780 PolarHBondContact O-N 2.93Å; L778-T780 VanDerWaalsContact C-N 3.33Å; L778-T780 PolarHBondContact O-N 2.93Å; T780-F783 PolarHBondContact O-N 3.02Å; T780-G784 PolarHBondContact O-N 3.13Å
781L87.4Confident72.6Confident13 Ų1391.2 Ų91.27%0.06848%0.483CS..Hα-helixtrans-62.8-45176.2-71.4178.3000112V662 W666 H777 L778 G784 H785V662-L781 HydrophobicContact CG1-CD1 4.17Å; W666-L781 HydrophobicContact CH2-CD2 4.34Å; W666-L781 HydrophobicContact CZ2-CD1 4.02Å; W666-L781 HydrophobicContact CZ2-CD2 3.7Å; H777-L781 WeakPolarHBondContact O-CG 3.29Å; H777-L781 PolarHBondContact O-N 3.2Å; L778-L781 PolarHBondContact O-N 3.24Å; L781-G784 PolarHBondContact O-N 3.39Å; L781-H785 WeakPolarHBondContact O-CB 3.45Å; L781-H785 PolarHBondContact O-N 3.44Å; L781-H785 PolarHBondContact O-ND1 3.13Å
782Q84.6Confident70.4Confident84 Ų8492.8 Ų92.839%0.39349%0.494SS..Hα-helixtrans-64.1-41.5178.7-72.9178.12.100111.7L778 S779 R786L778-Q782 HydrophobicContact CD1-CG 4.2Å; L778-Q782 HydrophobicContact CG-CG 4.4Å; L778-Q782 WeakPolarHBondContact O-CB 3.26Å; L778-Q782 VanDerWaalsContact O-CG 3.3Å; L778-Q782 WeakPolarHBondContact O-CG 3.43Å; L778-Q782 PolarHBondContact O-N 2.9Å; S779-Q782 PolarHBondContact O-N 3.13Å; Q782-R786 WeakPolarHBondContact O-CG 3.28Å; Q782-R786 PolarHBondContact O-N 2.92Å; Q782-R786 VanDerWaalsContact O-N 3.12Å
783F78.3Confident68.4Low169 Ų16993 Ų9374%0.74150%0.502SS*.Hα-helixtrans-64.4-49.5175.6-170.1-95.9000111.5S779 T780 H785 R786 A787S779-F783 WeakPolarHBondContact O-CB 3.44Å; S779-F783 PolarHBondContact O-N 3.42Å; T780-F783 PolarHBondContact O-N 3.02Å; F783-H785 VanDerWaalsContact C-N 3.34Å; F783-H785 PolarHBondContact O-N 2.73Å; F783-R786 PolarHBondContact O-N 3.32Å; F783-A787 PolarHBondContact O-N 3.5Å
784G68.9Low66.5Low36 Ų3693.9 Ų93.937%0.37151%0.505SS..Hα-helixtrans-62.7-34.7-179.800000114.3T780 L781T780-G784 PolarHBondContact O-N 3.13Å; L781-G784 PolarHBondContact O-N 3.39Å
785H68.1Low64.5Low71 Ų7198.1 Ų98.133%0.32953%0.53SS..Hα-helixtrans-82.5-22177.7-72.491.9000114H665 W666 L781 F783 A787H665-H785 AromaticContact NE2-ND1 3.79Å; W666-H785 AromaticContact CH2-CE1 3.95Å; L781-H785 WeakPolarHBondContact O-CB 3.45Å; L781-H785 PolarHBondContact O-N 3.44Å; L781-H785 PolarHBondContact O-ND1 3.13Å; F783-H785 VanDerWaalsContact C-N 3.34Å; F783-H785 PolarHBondContact O-N 2.73Å; H785-A787 VanDerWaalsContact C-N 3.28Å
786R56.8Low63Low218 Ų218101.2 Ų101.282%0.82353%0.53SS*.Hα-helixtrans-67.9-29.1168.2-78.7177.8-179.9-169.71.9112.3Q782 F783Q782-R786 WeakPolarHBondContact O-CG 3.28Å; Q782-R786 PolarHBondContact O-N 2.92Å; Q782-R786 VanDerWaalsContact O-N 3.12Å; F783-R786 PolarHBondContact O-N 3.32Å
787A39.6Very low61.5Low78 Ų78100.9 Ų100.965%0.64552%0.522SS*.THydrogen-bonded Turntrans-84.7-4.5-175.600000115.4F783 H785F783-A787 PolarHBondContact O-N 3.5Å; H785-A787 VanDerWaalsContact C-N 3.28Å
788R44.8Very low59.6Low205 Ų205107 Ų10777%0.77456%0.56SS**SBendtrans-118.7122.1179.7-76.9-177.7172.3173.7-1.1111.6
789P36.8Very low58.3Low114 Ų114108 Ų10874%0.7457%0.565SS**  trans-63.7144.3171.827-33.3000110.5K791P789-K791 PolarHBondContact O-N 2.7Å
790K42.9Very low56.8Low205 Ų205113.4 Ų113.489%0.89157%0.574SS**  trans-61.195.3-179.7-72.2178.41771750111S792K790-S792 PolarHBondContact O-N 2.96Å
791K40.4Very low55.2Low193 Ų193116 Ų11684%0.83958%0.577SS**  trans-72.7110.7172.4-78.8-166.4173.5-171.80111P789P789-K791 PolarHBondContact O-N 2.7Å
792S39.3Very low53.5Low99 Ų99117.1 Ų117.169%0.69259%0.592SS**SBendtrans59.4152.4158.150.80000119.3K790 S794K790-S792 PolarHBondContact O-N 2.96Å; S792-S794 VanDerWaalsContact C-N 3.34Å; S792-S794 PolarHBondContact O-N 3.08Å
793P40.7Very low52.1Low130 Ų130116.1 Ų116.184%0.84460%0.595SS**  trans-79.779.1-175.333.6-35.8000111.4
794S46.3Very low51Low45 Ų45108.7 Ų108.732%0.31556%0.562SS.*  trans-56.9140.1158.9174.30000109.3S792 R796S792-S794 VanDerWaalsContact C-N 3.34Å; S792-S794 PolarHBondContact O-N 3.08Å; S794-R796 VanDerWaalsContact C-N 3.34Å; S794-R796 WeakPolarHBondContact O-CG 3.4Å; S794-R796 PolarHBondContact O-N 3.44Å
795V49.2Very low49.8Very low90 Ų90110.1 Ų110.155%0.54558%0.577SS.*  trans-68.786.1-171.4-171.80000110.6P628P628-V795 HydrophobicContact CB-CB 4.34Å; P628-V795 HydrophobicContact CB-CG1 3.77Å; P628-V795 HydrophobicContact CG-CB 4.27Å; P628-V795 HydrophobicContact CG-CG1 3.78Å
796R56.5Low48.3Very low119 Ų119111.1 Ų111.145%0.44958%0.584SS.*  trans-94.9106.1-176.2-72.4165.3-176.8-142.7-8.9110.5L669 S794 V798L669-R796 PolarHBondContact O-NH1 3.23Å; S794-R796 VanDerWaalsContact C-N 3.34Å; S794-R796 WeakPolarHBondContact O-CG 3.4Å; S794-R796 PolarHBondContact O-N 3.44Å; R796-V798 PolarHBondContact O-N 3.06Å
797M55Low47.1Very low37 Ų37103.2 Ų103.218%0.18256%0.562CS.*  trans-65.8128162.6-76.3-153.4-59.700110.1L601 V626 L627 L799L601-M797 HydrophobicContact CB-SD 4.12Å; V626-M797 VanDerWaalsContact O-CE 3.3Å; V626-M797 WeakPolarHBondContact O-CE 3.28Å; L627-M797 HydrophobicContact CD2-CE 3.52Å; M797-L799 PolarHBondContact O-N 2.6Å
798V53.8Low46.4Very low145 Ų145102.2 Ų102.288%0.87955%0.554SS**  trans-77.989.1171.8-177.20000108.4R796R796-V798 PolarHBondContact O-N 3.06Å
799L59.6Low45.7Very low45 Ų4598.6 Ų98.624%0.23654%0.544CS..PPolyproline II helixtrans-64.5137.2170.6-61.9173.8000109.4V603 L672 M797 K801V603-L799 HydrophobicContact CG2-CD2 3.53Å; L672-L799 HydrophobicContact CD1-CD1 3.75Å; M797-L799 PolarHBondContact O-N 2.6Å; L799-K801 PolarHBondContact O-N 3.14Å
800R55.6Low45.4Very low189 Ų18998.6 Ų98.671%0.71354%0.544SS*.PPolyproline II helixtrans-61.5122.1-176.6-151.8-179.7-159.3161.99.9109.3G802R800-G802 PolarHBondContact O-N 3.37Å
801K55Low44.9Very low151 Ų15194.9 Ų94.966%0.65753%0.534SS*.PPolyproline II helixtrans-65.3117.2175.6-64-164.7-176.8-165.60109.3D668 L799D668-K801 WeakPolarHBondContact OD1-CE 3.37Å; D668-K801 IonicContact OD1-NZ 2.66Å; D668-K801 PolarHBondContact OD1-NZ 3.35Å; L799-K801 PolarHBondContact O-N 3.14Å
802G51.9Low44.2Very low37 Ų3792 Ų9238%0.38152%0.521SS..  trans-168.4164.4179.700000111.1H698 R800H698-G802 VanDerWaalsContact CB-O 3.24Å; H698-G802 WeakPolarHBondContact CB-O 3.35Å; H698-G802 PolarHBondContact N-O 3.33Å; R800-G802 PolarHBondContact O-N 3.37Å
803S53.6Low44Very low63 Ų6395.7 Ų95.744%0.44153%0.532SS..BIsolated β-bridgetrans-91.8173.3167.751.90000110.5G805S803-G805 PolarHBondContact O-N 3.09Å; S803-G805 VanDerWaalsContact O-N 3.16Å
804F56.2Low43.4Very low13 Ų1395.6 Ų95.66%0.05753%0.533CS..  trans-64.7112.8173.2-69.8-79.7000111Y675 V688 L691 S692 F696 P697 H698 G699 I701Y675-F804 HydrophobicContact CD2-CE2 4.35Å; Y675-F804 AromaticContact CD2-CZ 3.85Å; Y675-F804 HydrophobicContact CD2-CZ 3.85Å; Y675-F804 AromaticContact CE2-CE2 3.72Å; Y675-F804 HydrophobicContact CE2-CE2 3.72Å; Y675-F804 AromaticContact CE2-CZ 3.55Å; Y675-F804 HydrophobicContact CE2-CZ 3.55Å; V688-F804 HydrophobicContact CG1-CB 4.3Å; V688-F804 HydrophobicContact CG1-CD1 4.43Å; L691-F804 HydrophobicContact CB-CD2 3.8Å; L691-F804 HydrophobicContact CB-CE2 4.04Å; L691-F804 HydrophobicContact CD1-CE2 4.11Å; L691-F804 HydrophobicContact CD1-CZ 4.42Å; S692-F804 VanDerWaalsContact CB-O 3.31Å; S692-F804 WeakPolarHBondContact CB-O 3.25Å; S692-F804 PolarHBondContact OG-O 3.4Å; F696-F804 HydrophobicContact CB-CE2 4.43Å; P697-F804 WeakPolarHBondContact O-CE2 3.42Å; H698-F804 AromaticContact ND1-CD1 3.71Å; H698-F804 AromaticContact ND1-CE1 3.62Å; G699-F804 VanDerWaalsContact O-CE1 3.25Å; G699-F804 WeakPolarHBondContact O-CE1 3.4Å; G699-F804 VanDerWaalsContact O-CZ 3.26Å; G699-F804 WeakPolarHBondContact O-CZ 3.41Å; I701-F804 HydrophobicContact CD1-CD1 3.97Å; I701-F804 HydrophobicContact CD1-CE1 3.31Å; I701-F804 HydrophobicContact CD1-CE2 4.3Å; I701-F804 HydrophobicContact CD1-CZ 3.5Å; I701-F804 HydrophobicContact CG1-CE1 3.81Å; I701-F804 HydrophobicContact CG1-CZ 3.74Å
805G43.1Very low42.6Very low66 Ų66102.4 Ų102.468%0.6856%0.557SS**  trans-79.6129.717500000112.2S803S803-G805 PolarHBondContact O-N 3.09Å; S803-G805 VanDerWaalsContact O-N 3.16Å
806L37.1Very low41.8Very low91 Ų91109.7 Ų109.748%0.47658%0.575SS.*  trans-96.6122.6178-70.4172.6000112.1V688 A808V688-L806 HydrophobicContact CG1-CD2 4.19Å; L806-A808 PolarHBondContact O-N 3.06Å
807S31.6Very low40.5Very low53 Ų53110 Ų11037%0.37159%0.59SS.*  trans-79.6100.9157.1164.50000108.8R353 K809R353-S807 PolarHBondContact NH1-OG 3.05Å; R353-S807 PolarHBondContact NH2-OG 2.95Å; S807-K809 PolarHBondContact O-N 3.12Å
808A25.1Very low39.5Very low56 Ų56116.9 Ų116.946%0.46362%0.622SS.*  trans-59.1129.7174.400000112.1L806L806-A808 PolarHBondContact O-N 3.06Å
809K29Very low38.3Very low130 Ų130117.7 Ų117.757%0.56562%0.62SS**  trans-136.1151.6160.5-88-164.9175.4-171.20107.2S807S807-K809 PolarHBondContact O-N 3.12Å
810P31.3Very low36.8Very low114 Ų114127.3 Ų127.374%0.7465%0.653SS**  trans-77.8136.8-161.929.9-35.9000114.3
811D32.7Very low35.6Very low127 Ų127129 Ų12968%0.67966%0.66SS**  trans33.7127.4147-49.3-29.2000122.2
812F25.8Very low34.3Very low131 Ų131128.3 Ų128.358%0.57567%0.668SS**  trans-108.2112.7143.6-84.6-87.5000109.6T525 C814T525-F812 VanDerWaalsContact OG1-CZ 3.26Å; T525-F812 WeakPolarHBondContact OG1-CZ 3.36Å; F812-C814 PolarHBondContact O-N 2.98Å
813L33.8Very low33.1Very low177 Ų177134 Ų13493%0.92769%0.687SS**  trans-15.9102.8169.9-63.1164.9000116.1
814C28.5Very low31.8Very low129 Ų129136.5 Ų136.587%0.87270%0.704SS**  trans-92.8114.7162.3-164.60000109.5F812F812-C814 PolarHBondContact O-N 2.98Å
815K30.7Very low30.5Very low188 Ų188141.6 Ų141.682%0.81774%0.737SS**  trans-69.5133.3176.5-72.5-177175.6-177.70110.1T817K815-T817 PolarHBondContact O-N 3.17Å
816R31.3Very low29.8Very low242 Ų242147.4 Ų147.491%0.91375%0.746SS**  trans-51.4127.4168.4-80.3176.2164.6163.4-6.4110.9
817T28.9Very low29.4Very low125 Ų125151.6 Ų151.677%0.76776%0.763SS**  trans-135.7132.8151.333.40000109.3K815 L819K815-T817 PolarHBondContact O-N 3.17Å; T817-L819 PolarHBondContact O-N 3.11Å
818H34.7Very low29.2Very low183 Ų183155 Ų15585%0.84778%0.784SS**  trans-66.8129.5-176.3-65.5-102.1000110.9
819L28Very low29.4Very low162 Ų162160.1 Ų160.185%0.84880%0.804SS**  trans-120.691.7166.8-88.6165.1000109.1T817 R821T817-L819 PolarHBondContact O-N 3.11Å; L819-R821 PolarHBondContact O-N 2.87Å; L819-R821 VanDerWaalsContact O-N 3.08Å
820R28.6Very low29.5Very low247 Ų247159.3 Ų159.393%0.93281%0.811SS**  trans-59.9108.8160.1-77.4-178.5170.3178.3-3.9107.5T822R820-T822 PolarHBondContact O-N 3.44Å
821R29.7Very low29.5Very low224 Ų224160.3 Ų160.385%0.84582%0.818SS**  trans-80.3112.4161.9-85.5-174.2-178.2157.24.3107.9L819 M823L819-R821 PolarHBondContact O-N 2.87Å; L819-R821 VanDerWaalsContact O-N 3.08Å; R821-M823 PolarHBondContact O-N 3.47Å
822T28.6Very low29.3Very low137 Ų137160.6 Ų160.684%0.8483%0.829SS**  trans-60.8125.3158.335.10000108.5R820R820-T822 PolarHBondContact O-N 3.44Å
823M26Very low29.4Very low155 Ų155158.5 Ų158.576%0.76484%0.835SS**  trans-79.7132.6171.4-71.5-87.868.900109.3R821 V825R821-M823 PolarHBondContact O-N 3.47Å; M823-V825 PolarHBondContact O-N 3.21Å; M823-V825 VanDerWaalsContact O-N 3.12Å
824S27.2Very low29.3Very low116 Ų116155.9 Ų155.981%0.81183%0.829SS**  trans-77.391.6175.3171.80000109.5
825V28.5Very low29.5Very low121 Ų121157 Ų15773%0.73383%0.826SS**  trans-70.3130.1163.7177.40000108.4M823 Q827M823-V825 PolarHBondContact O-N 3.21Å; M823-V825 VanDerWaalsContact O-N 3.12Å; V825-Q827 PolarHBondContact O-N 3.28Å
826Q29.3Very low29.5Very low187 Ų187154.1 Ų154.187%0.87483%0.826SS**  trans-66.2127.2171.9-71167.4-57.900109.5
827Q27.6Very low29.3Very low179 Ų179151.6 Ų151.684%0.83682%0.822SS**  trans-118.9154.9162.4-79.9-162.8-23.200110.1V825V825-Q827 PolarHBondContact O-N 3.28Å
828P28.3Very low29.9Very low124 Ų124151.2 Ų151.281%0.80582%0.822SS**PPolyproline II helixtrans-77.6159.5-169.5-1129000113.4
829D29.1Very low29.5Very low165 Ų165152 Ų15288%0.88283%0.826SS**PPolyproline II helixtrans-65.4138.1-177.9-62.4-61.3000114.2
830P31.3Very low29.4Very low112 Ų112153.4 Ų153.473%0.72782%0.82SS**PPolyproline II helixtrans-96.2158.6160.835.7-30.4000112.4
831P30.8Very low29.4Very low136 Ų136146.9 Ų146.988%0.88382%0.819SS**  trans-81174.1-167.832.6-36.8000116.1
832C29.4Very low29.3Very low133 Ų133142.8 Ų142.890%0.89981%0.809SS**  trans-87.7160.3-159.2-164.60000116.7
833A27Very low29.2Very low87 Ų87141.2 Ų141.272%0.71980%0.804SS**  trans117.4158.7157.200000115.8
834P33Very low29.2Very low121 Ų121143 Ų14379%0.78681%0.81SS**  -124.9170.5-67.136-22.5000114.6
835N32Very low29.8Very low153 Ų153142.1 Ų142.182%0.81880%0.802SS**  trans-42.6148.5178.7-84.8-35.7000116.1
836P30.9Very low29.8Very low127 Ų127145.3 Ų145.383%0.82581%0.809SS**  -137.2163.791.736.9-24.1000116.8
837K27.1Very low29.9Very low190 Ų190141.2 Ų141.283%0.82680%0.801SS**  trans-137170.7169.1-101.6-176.7-176.5173.80106.6
838P40.8Very low30.1Very low117 Ų117138.4 Ų138.476%0.7679%0.792SS**  cis-129.7175.7-16.937-21.5000112.5
839E25.7Very low30.4Very low198 Ų198140.1 Ų140.193%0.92579%0.786SS**  trans-137.3157.1150-159.6160.4-160.100112.6
840R27.3Very low30.6Very low193 Ų193138.2 Ų138.273%0.72878%0.776SS**  trans-133.9103.8-158.4167-170.1171.6161.9-3.2108.4
841A27.6Very low30.9Very low110 Ų110145.4 Ų145.491%0.90980%0.8SS**  trans-92.8117.8171.300000110.4
842Q28.1Very low30.9Very low138 Ų138145.9 Ų145.965%0.64580%0.795SS**  trans-95.6136.8169.5-76178.1-115.300110.1
843S27.1Very low31Very low104 Ų104146.6 Ų146.673%0.72779%0.79SS**  trans-0.8132.8151.356.10000119.8
844Q26Very low31.2Very low192 Ų192149.9 Ų149.990%0.89779%0.794SS**  -152161.8119.6-88.9-141.5-48.200111.8
845P39.3Very low31.1Very low97 Ų97151.6 Ų151.663%0.6379%0.794SS**  trans-110-169.9-175.442.6-32.6000113.7
846E29.1Very low31Very low188 Ų188151.5 Ų151.588%0.87979%0.793SS**  trans72.8150.7171.2-67.5173-170.800115.2
847S30.7Very low31Very low102 Ų102153.1 Ų153.171%0.71379%0.791SS**  cis-163.9158.1-13173.30000109.7
848D32.3Very low31.3Very low120 Ų120150.5 Ų150.564%0.64279%0.788SS**  trans60120.2157.4-99.912000123
849K33.8Very low30.6Very low159 Ų159153.1 Ų153.169%0.69179%0.791SS**  86.7144.3126-80.4178.7-171.7136.30125.2
850D34.5Very low31Very low125 Ų125149.3 Ų149.367%0.66878%0.779SS**  trans61.586.5152.5-52.9-18.4000119.4
851H36.6Very low31.3Very low264 Ų264145.4 Ų145.4100%1.22278%0.784SS**  -167099.2-96.5-56.7000113.4

Retrieved 851 of 851 residues in 319.3 ms (Link to these results)

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