A0A087X5F8_POEFO Loading...

Probable imidazolonepropionase

AlphaFold DB , UniProt , Accession A0A087X5F8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 432 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.3Very low86.7Confident234 Ų23474.4 Ų74.4100%1.15336%0.36SS*.  01140-71175.4176.200106.3R3M1-R3 PolarHBondContact O-N 2.9Å
2S54.4Low87.7Confident91 Ų9168.3 Ų68.364%0.63633%0.331SS*.  trans-58.6126.2178.8580000108.4N4S2-N4 PolarHBondContact O-N 3.32Å; S2-N4 VanDerWaalsContact O-N 3.11Å
3R74.1Confident88.5Confident189 Ų18967.5 Ų67.571%0.71333%0.326SS*.  trans-76.5100.4174.4-70.7-179.9179.4168.90.8106.3M1 H5 S66 S67M1-R3 PolarHBondContact O-N 2.9Å; R3-H5 PolarHBondContact O-CD2 2.97Å; R3-H5 VanDerWaalsContact O-CD2 3.23Å; R3-S66 PolarHBondContact O-OG 3.32Å; R3-S67 PolarHBondContact O-N 3.42Å
4N90.9Very high89.3Confident75 Ų7564.1 Ų64.140%0.40131%0.31SS..EExtended strand (participates in β ladder)trans-75.4134174-161.636.7000109.8S2 S46 S67 D69S2-N4 PolarHBondContact O-N 3.32Å; S2-N4 VanDerWaalsContact O-N 3.11Å; N4-S46 PolarHBondContact O-OG 2.8Å; N4-S67 PolarHBondContact OD1-O 3.49Å; N4-S67 PolarHBondContact OD1-OG 2.82Å; N4-D69 PolarHBondContact ND2-OD1 2.95Å
5H97.1Very high89.9Confident18 Ų1859.9 Ų59.98%0.08329%0.289CS..EExtended strand (participates in β ladder)trans-124.9159.9177.9-67.7-77000109.7R3 V43 Y63 S67 F68 D69R3-H5 PolarHBondContact O-CD2 2.97Å; R3-H5 VanDerWaalsContact O-CD2 3.23Å; H5-V43 HydrophobicContact CB-CG1 4.24Å; H5-Y63 AromaticContact CE1-CE1 3.87Å; H5-Y63 AromaticContact NE2-CD1 3.8Å; H5-Y63 AromaticContact NE2-CE1 3.54Å; H5-S67 PolarHBondContact N-O 3.28Å; H5-F68 HydrophobicContact CB-CD1 3.47Å; H5-F68 VanDerWaalsContact CB-CD1 3.47Å; H5-F68 HydrophobicContact CB-CE1 3.57Å; H5-F68 HydrophobicContact CB-CG 4.45Å; H5-F68 AromaticContact CG-CE1 3.99Å; H5-F68 CarbonylContact O-C 3.52Å; H5-F68 VanDerWaalsContact O-CA 3.3Å; H5-F68 WeakPolarHBondContact O-CA 3.22Å; H5-D69 PolarHBondContact O-N 3.42Å
6R97.6Very high90.4Very high55 Ų5556.1 Ų56.121%0.20827%0.271CS..EExtended strand (participates in β ladder)trans-79.7-47-177.7-177.9167.8-76165.80.5112.4V44 G45 S46 D69 N70 R419 G420 N421R6-V44 PolarHBondContact N-O 3.25Å; R6-G45 WeakPolarHBondContact CB-O 3.31Å; R6-S46 PolarHBondContact NH2-O 2.67Å; R6-D69 WeakPolarHBondContact O-CB 3.4Å; R6-D69 PolarHBondContact O-N 3.38Å; R6-N70 PolarHBondContact O-N 3.07Å; R6-R419 WeakPolarHBondContact CD-O 3.48Å; R6-R419 PolarHBondContact NH1-O 3.15Å; R6-G420 VanDerWaalsContact CD-C 3.48Å; R6-G420 WeakPolarHBondContact CG-O 3.35Å; R6-N421 WeakPolarHBondContact CD-OD1 3.3Å; R6-N421 PolarHBondContact NH1-ND2 2.97Å
7L98.7Very high90.9Very high0 Ų053.2 Ų53.20%026%0.257CS..EExtended strand (participates in β ladder)trans-145.1134.8-171.9177.866.6000111.1V9 V44 N70 I72 L391 V417L7-V9 HydrophobicContact CD1-CG2 4.31Å; L7-V9 HydrophobicContact CD2-CG2 3.8Å; L7-V9 HydrophobicContact CG-CG2 3.96Å; L7-V44 HydrophobicContact CB-CB 4.2Å; L7-V44 HydrophobicContact CB-CG2 4.49Å; L7-V44 PolarHBondContact N-O 2.9Å; L7-V44 VanDerWaalsContact N-O 3.15Å; L7-V44 PolarHBondContact O-N 3.45Å; L7-N70 WeakPolarHBondContact CA-O 3.11Å; L7-N70 HydrophobicContact CD1-CB 3.83Å; L7-I72 HydrophobicContact CD1-CD1 3.91Å; L7-I72 HydrophobicContact CD1-CG1 3.98Å; L7-L391 HydrophobicContact CD2-CD1 4.26Å; L7-V417 HydrophobicContact CD2-CG1 3.67Å; L7-V417 HydrophobicContact CD2-CG2 4.13Å
8L98.7Very high91.3Very high23 Ų2350.4 Ų50.412%0.1224%0.243CC..EExtended strand (participates in β ladder)trans-112.6121.4159.5171.663000108.4K10 V43 I59 F68 N70 V71 I72L8-K10 HydrophobicContact CD1-CB 4.32Å; L8-K10 HydrophobicContact CD2-CB 4.31Å; L8-K10 HydrophobicContact CG-CB 4.11Å; L8-V43 HydrophobicContact CD1-CG2 3.87Å; L8-I59 HydrophobicContact CD1-CG2 4.11Å; L8-F68 HydrophobicContact CB-CB 4.47Å; L8-F68 HydrophobicContact CB-CD1 3.52Å; L8-F68 HydrophobicContact CB-CD2 4.09Å; L8-F68 HydrophobicContact CB-CE1 3.65Å; L8-F68 HydrophobicContact CB-CE2 4.21Å; L8-F68 HydrophobicContact CB-CG 3.76Å; L8-F68 HydrophobicContact CB-CZ 3.99Å; L8-F68 HydrophobicContact CD2-CD2 4.2Å; L8-F68 HydrophobicContact CD2-CE2 3.9Å; L8-F68 HydrophobicContact CD2-CZ 4.12Å; L8-F68 HydrophobicContact CG-CZ 4.45Å; L8-N70 PolarHBondContact N-O 2.71Å; L8-V71 HydrophobicContact CB-CG1 4.45Å; L8-V71 HydrophobicContact CB-CG2 4.38Å; L8-V71 HydrophobicContact CD2-CG1 4.22Å; L8-V71 HydrophobicContact CG-CG1 4.39Å; L8-V71 CarbonylContact O-C 3.56Å; L8-V71 WeakPolarHBondContact O-CA 3.41Å; L8-I72 PolarHBondContact O-N 3.45Å
9V98.8Very high91.5Very high1 Ų147.9 Ų47.91%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-102.1113.9162-172.20000106.3L7 S41 I42 I72 A74 V79 L391 I393L7-V9 HydrophobicContact CD1-CG2 4.31Å; L7-V9 HydrophobicContact CD2-CG2 3.8Å; L7-V9 HydrophobicContact CG-CG2 3.96Å; V9-S41 CarbonylContact O-C 3.54Å; V9-S41 VanDerWaalsContact O-CA 3.22Å; V9-S41 WeakPolarHBondContact O-CA 3.41Å; V9-S41 WeakPolarHBondContact O-CB 3.24Å; V9-I42 HydrophobicContact CB-CG2 3.64Å; V9-I42 HydrophobicContact CG2-CG2 3.99Å; V9-I42 PolarHBondContact N-O 3Å; V9-I42 PolarHBondContact O-N 2.75Å; V9-I72 WeakPolarHBondContact CA-O 3.49Å; V9-I72 HydrophobicContact CG1-CB 4.31Å; V9-I72 HydrophobicContact CG1-CG2 4.34Å; V9-I72 HydrophobicContact CG2-CB 4.39Å; V9-I72 HydrophobicContact CG2-CD1 4.37Å; V9-A74 HydrophobicContact CG1-CB 3.6Å; V9-V79 HydrophobicContact CG1-CG2 3.82Å; V9-L391 HydrophobicContact CG2-CD1 4.08Å; V9-I393 HydrophobicContact CG1-CD1 3.84Å; V9-I393 HydrophobicContact CG2-CD1 3.91Å
10K98.3Very high91.6Very high68 Ų6849.9 Ų49.930%0.29624%0.244SC..EExtended strand (participates in β ladder)trans-109153-174.463.1172.1-171.1164.60111.9L8 A12 S41 V71 I72 D73 A74L8-K10 HydrophobicContact CD1-CB 4.32Å; L8-K10 HydrophobicContact CD2-CB 4.31Å; L8-K10 HydrophobicContact CG-CB 4.11Å; K10-A12 VanDerWaalsContact C-N 3.26Å; K10-A12 PolarHBondContact O-N 2.99Å; K10-S41 VanDerWaalsContact CA-OG 3.31Å; K10-S41 WeakPolarHBondContact CA-OG 3.3Å; K10-V71 HydrophobicContact CD-CG1 4.15Å; K10-V71 HydrophobicContact CG-CG1 4.37Å; K10-I72 WeakPolarHBondContact CG-O 3.09Å; K10-I72 PolarHBondContact N-O 2.78Å; K10-D73 WeakPolarHBondContact CE-OD2 3.41Å; K10-D73 IonicContact NZ-OD2 3.09Å; K10-D73 PolarHBondContact NZ-OD2 3.2Å; K10-D73 VanDerWaalsContact NZ-OD2 3.17Å; K10-A74 PolarHBondContact O-N 3.25Å
11N98.4Very high91.7Very high64 Ų6453.7 Ų53.734%0.34227%0.265SS..EExtended strand (participates in β ladder)trans61.925.7167.5-47.7-34.8000115.2Q13 A40 S41 D73 A74 A75N11-Q13 PolarHBondContact O-N 2.99Å; N11-A40 PolarHBondContact N-O 3.4Å; N11-S41 PolarHBondContact N-OG 3.17Å; N11-S41 VanDerWaalsContact N-OG 3.16Å; N11-D73 PolarHBondContact ND2-OD1 3.48Å; N11-D73 VanDerWaalsContact ND2-OD1 3.15Å; N11-A74 CarbonylContact O-C 3.52Å; N11-A75 HydrophobicContact CB-CB 4.44Å; N11-A75 VanDerWaalsContact O-CA 3.26Å; N11-A75 WeakPolarHBondContact O-CA 3.19Å; N11-A75 PolarHBondContact O-N 2.83Å
12A98.6Very high94Very high1 Ų144.2 Ų44.21%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-59.3134.2174.900000110.2K10 Q14 V15 N39 A40 A74 V79K10-A12 VanDerWaalsContact C-N 3.26Å; K10-A12 PolarHBondContact O-N 2.99Å; A12-Q14 VanDerWaalsContact C-N 3.27Å; A12-Q14 PolarHBondContact O-N 3.31Å; A12-V15 HydrophobicContact CB-CG2 3.69Å; A12-N39 CarbonylContact O-C 3.57Å; A12-N39 VanDerWaalsContact O-CA 3.24Å; A12-N39 WeakPolarHBondContact O-CA 3.49Å; A12-N39 PolarHBondContact O-N 3.49Å; A12-A40 WeakPolarHBondContact CB-O 3.21Å; A12-A40 PolarHBondContact N-O 3.46Å; A12-A40 PolarHBondContact O-N 3.07Å; A12-A74 WeakPolarHBondContact CA-O 3.47Å; A12-A74 HydrophobicContact CB-CB 3.88Å; A12-V79 HydrophobicContact CB-CG2 3.66Å
13Q98.4Very high96.1Very high59 Ų5942.7 Ų42.728%0.27621%0.21SC..EExtended strand (participates in β ladder)trans-57.1-47.8174.4178.558.763.500109.5N11 E38 N39 M77 T397N11-Q13 PolarHBondContact O-N 2.99Å; Q13-E38 PolarHBondContact NE2-OE2 3.02Å; Q13-E38 VanDerWaalsContact NE2-OE2 3.13Å; Q13-E38 CarbonylContact O-C 3.43Å; Q13-E38 WeakPolarHBondContact O-CA 3.5Å; Q13-E38 VanDerWaalsContact O-OE2 3.08Å; Q13-N39 PolarHBondContact O-N 3.05Å; Q13-M77 WeakPolarHBondContact CB-O 3.48Å; Q13-M77 PolarHBondContact N-O 3.04Å; Q13-T397 WeakPolarHBondContact CG-O 3.34Å
14Q98.5Very high97.2Very high20 Ų2037.7 Ų37.79%0.09319%0.194CC..EExtended strand (participates in β ladder)trans-130.3138.4172.1-56.7-171.6-51.300110.8A12 V36 E38 C78 V79A12-Q14 VanDerWaalsContact C-N 3.27Å; A12-Q14 PolarHBondContact O-N 3.31Å; Q14-V36 HydrophobicContact CB-CG1 4.01Å; Q14-V36 HydrophobicContact CG-CG1 4.35Å; Q14-E38 PolarHBondContact NE2-OE1 3.33Å; Q14-C78 HydrophobicContact CB-CB 4.49Å; Q14-C78 CarbonylContact O-C 3.51Å; Q14-C78 WeakPolarHBondContact O-CA 3.48Å; Q14-V79 PolarHBondContact O-N 2.96Å
15V98.8Very high97.6Very high0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-114.9108.1161.7-1760000107.8A12 L17 I37 A40 V53 V79 L383A12-V15 HydrophobicContact CB-CG2 3.69Å; V15-L17 HydrophobicContact CG1-CD2 3.72Å; V15-L17 PolarHBondContact O-N 3.33Å; V15-I37 PolarHBondContact N-O 3.47Å; V15-I37 PolarHBondContact O-N 3.36Å; V15-A40 HydrophobicContact CB-CB 3.93Å; V15-A40 HydrophobicContact CG2-CB 3.48Å; V15-A40 VanDerWaalsContact CG2-CB 3.48Å; V15-V53 HydrophobicContact CG1-CG2 3.79Å; V15-V79 WeakPolarHBondContact CA-O 3.47Å; V15-V79 HydrophobicContact CG1-CB 4.32Å; V15-V79 HydrophobicContact CG2-CB 4.18Å; V15-V79 HydrophobicContact CG2-CG2 4.45Å; V15-L383 HydrophobicContact CG1-CD1 3.67Å
16V98.7Very high97.6Very high0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-84.4110.5178.4-175.60000108.3I18 V36 V79 L80 P81 L363 L383 W399V16-I18 HydrophobicContact CG1-CD1 3.81Å; V16-V36 HydrophobicContact CB-CG2 4.49Å; V16-V36 HydrophobicContact CG1-CG2 4.19Å; V16-V36 HydrophobicContact CG2-CG1 4.31Å; V16-V36 HydrophobicContact CG2-CG2 4.19Å; V16-V79 PolarHBondContact N-O 3.11Å; V16-L80 HydrophobicContact CB-CG 4.17Å; V16-L80 HydrophobicContact CG2-CG 4.18Å; V16-P81 WeakPolarHBondContact O-CD 3.47Å; V16-L363 HydrophobicContact CG1-CD2 3.96Å; V16-L383 WeakPolarHBondContact O-CD1 3.24Å; V16-W399 HydrophobicContact CG2-CB 3.66Å; V16-W399 HydrophobicContact CG2-CG 3.63Å
17L98.5Very high97.6Very high7 Ų735.8 Ų35.84%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-83.2-22.5179.3-48.1-172.2000112.6V15 C19 N20 S35 I37 V53 S382 L383V15-L17 HydrophobicContact CG1-CD2 3.72Å; V15-L17 PolarHBondContact O-N 3.33Å; L17-C19 WeakPolarHBondContact CB-O 3.49Å; L17-C19 PolarHBondContact O-N 2.96Å; L17-N20 HydrophobicContact CD1-CB 4.02Å; L17-S35 PolarHBondContact N-O 3.19Å; L17-I37 HydrophobicContact CD1-CD1 3.82Å; L17-I37 HydrophobicContact CD1-CG1 4.11Å; L17-I37 HydrophobicContact CG-CD1 4.43Å; L17-I37 HydrophobicContact CG-CG1 4.36Å; L17-V53 HydrophobicContact CD2-CB 4.46Å; L17-V53 HydrophobicContact CD2-CG1 4.16Å; L17-V53 HydrophobicContact CD2-CG2 3.53Å; L17-S382 VanDerWaalsContact O-CA 3.27Å; L17-S382 WeakPolarHBondContact O-CA 3.34Å; L17-S382 WeakPolarHBondContact O-CB 3.37Å; L17-L383 HydrophobicContact CD2-CB 3.75Å; L17-L383 PolarHBondContact O-N 3.2Å; L17-L383 VanDerWaalsContact O-N 3.08Å
18I98.2Very high97.3Very high2 Ų242.2 Ų42.21%0.0121%0.211CC..EExtended strand (participates in β ladder)trans71.5-62.7-164.3-51.3-63000111.2V16 L26 L34 S35 P81 L363 T367 I368V16-I18 HydrophobicContact CG1-CD1 3.81Å; I18-L26 HydrophobicContact CG2-CD1 3.81Å; I18-L34 HydrophobicContact CD1-CD1 4.12Å; I18-L34 HydrophobicContact CG2-CD2 4.32Å; I18-S35 PolarHBondContact N-O 3.17Å; I18-S35 PolarHBondContact O-N 3.27Å; I18-P81 HydrophobicContact CD1-CG 4.42Å; I18-P81 HydrophobicContact CG1-CG 3.56Å; I18-L363 HydrophobicContact CD1-CD1 4.41Å; I18-L363 HydrophobicContact CD1-CD2 3.68Å; I18-L363 HydrophobicContact CD1-CG 3.62Å; I18-T367 HydrophobicContact CD1-CG2 4.38Å; I18-T367 HydrophobicContact CG1-CG2 4.48Å; I18-I368 HydrophobicContact CG2-CB 3.94Å; I18-I368 HydrophobicContact CG2-CG2 3.57Å
19C95.5Very high96.8Very high3 Ų348.2 Ų48.22%0.0224%0.238CC..  trans-136.8164.2176.268.50000110.3L17 E23 L26 S382 E384L17-C19 WeakPolarHBondContact CB-O 3.49Å; L17-C19 PolarHBondContact O-N 2.96Å; C19-E23 HydrophobicContact CB-CB 4.03Å; C19-E23 HydrophobicContact CB-CG 4.37Å; C19-E23 WeakPolarHBondContact CB-OE2 3.39Å; C19-L26 HydrophobicContact CB-CD2 4.46Å; C19-S382 WeakPolarHBondContact SG-CB 3.47Å; C19-S382 PolarHBondContact SG-OG 3.04Å; C19-E384 VanDerWaalsContact C-OE1 3.31Å; C19-E384 PolarHBondContact SG-OE1 3.47Å
20N93.2Very high96.3Very high88 Ų8849.5 Ų49.547%0.47125%0.251SS..SBendtrans-143.47.4-17467.9-1.2000115.3L17 E23 S35 E384L17-N20 HydrophobicContact CD1-CB 4.02Å; N20-E23 PolarHBondContact N-OE2 2.86Å; N20-S35 PolarHBondContact ND2-OG 3.38Å; N20-S35 VanDerWaalsContact ND2-OG 3.14Å; N20-E384 WeakPolarHBondContact CA-OE1 3.5Å; N20-E384 PolarHBondContact N-OE1 3.42Å
21N94.2Very high95.9Very high129 Ų12946.2 Ų46.269%0.6924%0.237SC*.SBendtrans-123.223.1179.1-52.1-61.4000112.2E23 E384N21-E23 VanDerWaalsContact C-N 3.33Å; N21-E23 VanDerWaalsContact C-OE2 3.26Å; N21-E23 VanDerWaalsContact CA-OE2 3.31Å; N21-E23 WeakPolarHBondContact CA-OE2 3.39Å; N21-E23 PolarHBondContact N-OE2 2.95Å; N21-E23 PolarHBondContact ND2-OE1 3.22Å; N21-E384 PolarHBondContact N-OE1 3.45Å
22G95.4Very high95.4Very high35 Ų3546.8 Ų46.836%0.36124%0.24SC..  trans77.519.1176.800000113.9E384G22-E384 PolarHBondContact N-OE1 3.42Å
23E97.5Very high95Very high59 Ų5952.8 Ų52.828%0.27627%0.272SS..  trans-54.1138.3174.1-62.588.7158.900110.7C19 N20 N21 L26C19-E23 HydrophobicContact CB-CB 4.03Å; C19-E23 HydrophobicContact CB-CG 4.37Å; C19-E23 WeakPolarHBondContact CB-OE2 3.39Å; N20-E23 PolarHBondContact N-OE2 2.86Å; N21-E23 VanDerWaalsContact C-N 3.33Å; N21-E23 VanDerWaalsContact C-OE2 3.26Å; N21-E23 VanDerWaalsContact CA-OE2 3.31Å; N21-E23 WeakPolarHBondContact CA-OE2 3.39Å; N21-E23 PolarHBondContact N-OE2 2.95Å; N21-E23 PolarHBondContact ND2-OE1 3.22Å; E23-L26 HydrophobicContact CB-CD2 4.33Å; E23-L26 HydrophobicContact CG-CD2 4.39Å
24K97.8Very high94.9Very high85 Ų8551 Ų5137%0.3726%0.264SS..SBendtrans-91.2-20.7178.2-57.8-54.9175-164.40113Y372 S377 D378K24-Y372 HydrophobicContact CB-CD2 4.33Å; K24-Y372 WeakPolarHBondContact O-CB 3.41Å; K24-S377 WeakPolarHBondContact O-CB 3.42Å; K24-S377 PolarHBondContact O-OG 3.1Å; K24-D378 WeakPolarHBondContact CD-OD1 3.38Å; K24-D378 WeakPolarHBondContact CE-OD1 3.36Å; K24-D378 IonicContact NZ-OD1 3.92Å; K24-D378 PolarHBondContact NZ-OD1 3.31Å
25F98.5Very high94.9Very high59 Ų5951.1 Ų51.126%0.25927%0.267SS..  trans-162.4163.3179.559.1-96.3000108.5T27 K299 I328 N369 Y372F25-T27 HydrophobicContact CD2-CG2 4.05Å; F25-T27 HydrophobicContact CE2-CG2 4.25Å; F25-K299 HydrophobicContact CZ-CD 4.36Å; F25-I328 HydrophobicContact CB-CD1 4.17Å; F25-I328 HydrophobicContact CB-CG1 4.36Å; F25-I328 HydrophobicContact CB-CG2 3.9Å; F25-I328 HydrophobicContact CD1-CD1 3.76Å; F25-I328 HydrophobicContact CD2-CD1 3.62Å; F25-I328 HydrophobicContact CD2-CG1 3.65Å; F25-I328 HydrophobicContact CE1-CD1 3.97Å; F25-I328 HydrophobicContact CE2-CD1 3.84Å; F25-I328 HydrophobicContact CE2-CG1 4.04Å; F25-I328 HydrophobicContact CG-CD1 3.57Å; F25-I328 HydrophobicContact CG-CG1 3.98Å; F25-I328 HydrophobicContact CG-CG2 4.43Å; F25-I328 HydrophobicContact CZ-CD1 4.01Å; F25-N369 WeakPolarHBondContact CA-OD1 3.39Å; F25-N369 WeakPolarHBondContact CB-OD1 3.38Å; F25-Y372 HydrophobicContact CB-CD2 4.08Å; F25-Y372 HydrophobicContact CB-CG 4.01Å; F25-Y372 AromaticContact CD1-CD2 3.62Å; F25-Y372 HydrophobicContact CD1-CD2 3.62Å; F25-Y372 AromaticContact CD1-CE2 3.48Å; F25-Y372 HydrophobicContact CD1-CE2 3.48Å; F25-Y372 VanDerWaalsContact CD1-CE2 3.48Å; F25-Y372 HydrophobicContact CD1-CG 4.3Å; F25-Y372 HydrophobicContact CE1-CE2 4Å; F25-Y372 HydrophobicContact CG-CD2 4.28Å; F25-Y372 HydrophobicContact CG-CE2 4.42Å
26L98.3Very high94.8Very high14 Ų1453.4 Ų53.47%0.07328%0.281CS..  trans-121.2141.5174.4-62.7174.9000109.6I18 C19 E23 M31 L34 A364 I368 N369I18-L26 HydrophobicContact CG2-CD1 3.81Å; C19-L26 HydrophobicContact CB-CD2 4.46Å; E23-L26 HydrophobicContact CB-CD2 4.33Å; E23-L26 HydrophobicContact CG-CD2 4.39Å; L26-M31 HydrophobicContact CB-CG 3.6Å; L26-M31 WeakPolarHBondContact O-CG 3.18Å; L26-L34 HydrophobicContact CD1-CD2 4.03Å; L26-A364 HydrophobicContact CD1-CB 4.15Å; L26-I368 HydrophobicContact CB-CG2 4.46Å; L26-I368 HydrophobicContact CD1-CG2 3.94Å; L26-I368 HydrophobicContact CG-CG2 3.95Å; L26-N369 PolarHBondContact N-OD1 2.91Å; L26-N369 PolarHBondContact O-ND2 3.05Å; L26-N369 PolarHBondContact O-OD1 2.82Å
27T97.4Very high94.8Very high34 Ų3455.5 Ų55.521%0.20929%0.292CS..  trans-140.7157.9172.856.20000109.6F25 H29 G30 I328F25-T27 HydrophobicContact CD2-CG2 4.05Å; F25-T27 HydrophobicContact CE2-CG2 4.25Å; T27-H29 PolarHBondContact O-N 3.32Å; T27-G30 PolarHBondContact O-N 2.78Å; T27-I328 HydrophobicContact CG2-CB 4.42Å; T27-I328 HydrophobicContact CG2-CG1 3.73Å
28R92.6Very high94.8Very high136 Ų13659.5 Ų59.551%0.51331%0.31SS..THydrogen-bonded Turntrans46.7-123.4175.9-59.1178.6179.6-116.12.4111.5G30 M31 E324 A325R28-G30 PolarHBondContact O-N 3.27Å; R28-G30 VanDerWaalsContact O-N 3.11Å; R28-M31 PolarHBondContact O-N 3.46Å; R28-E324 PolarHBondContact NH1-O 2.96Å; R28-E324 PolarHBondContact NH2-O 3.4Å; R28-A325 PolarHBondContact NH2-O 2.88Å
29H87Confident94.8Very high149 Ų14964 Ų6469%0.6933%0.334SS*.Hα-helixtrans-55.7-29.2-179.7-65.6-64.3000114.3T27 M31 N32T27-H29 PolarHBondContact O-N 3.32Å; H29-M31 VanDerWaalsContact C-N 3.27Å; H29-M31 PolarHBondContact O-N 3.32Å; H29-N32 PolarHBondContact O-N 3.14Å
30G87.9Confident94.9Very high27 Ų2763.9 Ų63.928%0.27833%0.333SS..Hα-helixtrans-63.6-32.6176.700000112.8T27 R28 N32T27-G30 PolarHBondContact O-N 2.78Å; R28-G30 PolarHBondContact O-N 3.27Å; R28-G30 VanDerWaalsContact O-N 3.11Å; G30-N32 VanDerWaalsContact C-N 3.31Å
31M90.8Very high95.2Very high0 Ų059.9 Ų59.90%031%0.312CS..Hα-helixtrans-80.8-11.4178.1-63.8-17977.300113.1L26 R28 H29 L323 T360 E361 A364 A365L26-M31 HydrophobicContact CB-CG 3.6Å; L26-M31 WeakPolarHBondContact O-CG 3.18Å; R28-M31 PolarHBondContact O-N 3.46Å; H29-M31 VanDerWaalsContact C-N 3.27Å; H29-M31 PolarHBondContact O-N 3.32Å; M31-L323 HydrophobicContact CE-CD2 3.84Å; M31-L323 HydrophobicContact SD-CD2 3.38Å; M31-L323 WeakPolarHBondContact SD-CD2 3.42Å; M31-T360 CarbonylContact O-C 3.57Å; M31-T360 WeakPolarHBondContact O-CB 3.35Å; M31-T360 PolarHBondContact O-OG1 3.02Å; M31-E361 HydrophobicContact CB-CG 3.97Å; M31-E361 HydrophobicContact CE-CB 4.08Å; M31-E361 HydrophobicContact CE-CG 4.44Å; M31-E361 VanDerWaalsContact CE-O 3.24Å; M31-E361 WeakPolarHBondContact CE-O 3.17Å; M31-A364 HydrophobicContact CE-CB 3.95Å; M31-A364 HydrophobicContact CG-CB 4.21Å; M31-A365 HydrophobicContact CE-CB 4.32Å
32N87.2Confident95.4Very high75 Ų7553.7 Ų53.740%0.40128%0.279SS..Hα-helixtrans-89.7-19.7179.7-67.5-19.3000113H29 G30H29-N32 PolarHBondContact O-N 3.14Å; G30-N32 VanDerWaalsContact C-N 3.31Å
33N90.3Very high95.6Very high127 Ų12752 Ų5268%0.67926%0.262SS*.SBendtrans-131.179.9-173.4-62.1-51.5000109.8
34L96.6Very high95.7Very high22 Ų2249.2 Ų49.212%0.11525%0.249CC..  trans-69.6143.4175.1-54.4-176.1000110.3I18 L26 V36 T360 L363 A364 W399I18-L34 HydrophobicContact CD1-CD1 4.12Å; I18-L34 HydrophobicContact CG2-CD2 4.32Å; L26-L34 HydrophobicContact CD1-CD2 4.03Å; L34-V36 PolarHBondContact O-N 2.81Å; L34-T360 HydrophobicContact CD1-CG2 4.29Å; L34-T360 HydrophobicContact CG-CG2 4.26Å; L34-L363 HydrophobicContact CD1-CB 4.13Å; L34-L363 HydrophobicContact CD1-CD2 3.75Å; L34-L363 HydrophobicContact CD1-CG 4.2Å; L34-A364 HydrophobicContact CD2-CB 4.12Å; L34-W399 HydrophobicContact CD1-CH2 4.43Å; L34-W399 HydrophobicContact CD1-CZ2 4.43Å
35S97.7Very high95.7Very high22 Ų2245.2 Ų45.215%0.15423%0.232CC..EExtended strand (participates in β ladder)trans-73.3118.4172.6177.90000110L17 I18 N20L17-S35 PolarHBondContact N-O 3.19Å; I18-S35 PolarHBondContact N-O 3.17Å; I18-S35 PolarHBondContact O-N 3.27Å; N20-S35 PolarHBondContact ND2-OG 3.38Å; N20-S35 VanDerWaalsContact ND2-OG 3.14Å
36V98.1Very high95.6Very high49 Ų4945 Ų4530%0.29724%0.238SC..EExtended strand (participates in β ladder)trans-128.8136.3176.8-1750000108.8Q14 V16 L34Q14-V36 HydrophobicContact CB-CG1 4.01Å; Q14-V36 HydrophobicContact CG-CG1 4.35Å; V16-V36 HydrophobicContact CB-CG2 4.49Å; V16-V36 HydrophobicContact CG1-CG2 4.19Å; V16-V36 HydrophobicContact CG2-CG1 4.31Å; V16-V36 HydrophobicContact CG2-CG2 4.19Å; L34-V36 PolarHBondContact O-N 2.81Å
37I98.3Very high95.6Very high43 Ų4348.3 Ų48.322%0.22126%0.256CS..EExtended strand (participates in β ladder)trans-112.9122.5172.7-48.7-177.1000108.5V15 L17 A40V15-I37 PolarHBondContact N-O 3.47Å; V15-I37 PolarHBondContact O-N 3.36Å; L17-I37 HydrophobicContact CD1-CD1 3.82Å; L17-I37 HydrophobicContact CD1-CG1 4.11Å; L17-I37 HydrophobicContact CG-CD1 4.43Å; L17-I37 HydrophobicContact CG-CG1 4.36Å; I37-A40 HydrophobicContact CB-CB 3.84Å; I37-A40 HydrophobicContact CG2-CB 3.66Å
38E98.3Very high95.6Very high91 Ų9146.7 Ų46.743%0.42525%0.246SC..EExtended strand (participates in β ladder)trans-76.9146.7172.1-62.3-64.6149.200110.7Q13 Q14 A40Q13-E38 PolarHBondContact NE2-OE2 3.02Å; Q13-E38 VanDerWaalsContact NE2-OE2 3.13Å; Q13-E38 CarbonylContact O-C 3.43Å; Q13-E38 WeakPolarHBondContact O-CA 3.5Å; Q13-E38 VanDerWaalsContact O-OE2 3.08Å; Q14-E38 PolarHBondContact NE2-OE1 3.33Å; E38-A40 PolarHBondContact O-N 3.11Å
39N98.2Very high95.9Very high97 Ų9742.7 Ų42.752%0.51923%0.234SC..EExtended strand (participates in β ladder)trans4961.9176.9-61-47.4000112.4A12 Q13 A56A12-N39 CarbonylContact O-C 3.57Å; A12-N39 VanDerWaalsContact O-CA 3.24Å; A12-N39 WeakPolarHBondContact O-CA 3.49Å; A12-N39 PolarHBondContact O-N 3.49Å; Q13-N39 PolarHBondContact O-N 3.05Å; N39-A56 VanDerWaalsContact O-CB 3.31Å; N39-A56 WeakPolarHBondContact O-CB 3.14Å; N39-A56 PolarHBondContact O-N 2.83Å
40A98.6Very high96.4Very high0 Ų035.6 Ų35.60%020%0.201CC..EExtended strand (participates in β ladder)trans-123.9161.8-16800000113.3N11 A12 V15 I37 E38 G54N11-A40 PolarHBondContact N-O 3.4Å; A12-A40 WeakPolarHBondContact CB-O 3.21Å; A12-A40 PolarHBondContact N-O 3.46Å; A12-A40 PolarHBondContact O-N 3.07Å; V15-A40 HydrophobicContact CB-CB 3.93Å; V15-A40 HydrophobicContact CG2-CB 3.48Å; V15-A40 VanDerWaalsContact CG2-CB 3.48Å; I37-A40 HydrophobicContact CB-CB 3.84Å; I37-A40 HydrophobicContact CG2-CB 3.66Å; E38-A40 PolarHBondContact O-N 3.11Å; A40-G54 CarbonylContact C-O 3.43Å; A40-G54 VanDerWaalsContact CA-O 3.23Å; A40-G54 WeakPolarHBondContact CA-O 3.3Å; A40-G54 VanDerWaalsContact CB-O 3.23Å; A40-G54 WeakPolarHBondContact CB-O 3.43Å
41S98.8Very high96.9Very high4 Ų437 Ų373%0.02820%0.2CC..EExtended strand (participates in β ladder)trans-131.5153.1177.6-60.50000109.9V9 K10 N11 V53 G54 A56V9-S41 CarbonylContact O-C 3.54Å; V9-S41 VanDerWaalsContact O-CA 3.22Å; V9-S41 WeakPolarHBondContact O-CA 3.41Å; V9-S41 WeakPolarHBondContact O-CB 3.24Å; K10-S41 VanDerWaalsContact CA-OG 3.31Å; K10-S41 WeakPolarHBondContact CA-OG 3.3Å; N11-S41 PolarHBondContact N-OG 3.17Å; N11-S41 VanDerWaalsContact N-OG 3.16Å; S41-V53 WeakPolarHBondContact O-CA 3.33Å; S41-G54 PolarHBondContact N-O 3.06Å; S41-G54 PolarHBondContact O-N 3.35Å; S41-G54 VanDerWaalsContact O-N 3.16Å; S41-A56 WeakPolarHBondContact OG-CA 3.45Å; S41-A56 WeakPolarHBondContact OG-CB 3.48Å
42I98.8Very high97.3Very high0 Ų037.2 Ų37.20%020%0.201CC..EExtended strand (participates in β ladder)trans-131.1137.5177.5-176.3164.9000110.6V9 I50 A52 V53 V79 L383 L391V9-I42 HydrophobicContact CB-CG2 3.64Å; V9-I42 HydrophobicContact CG2-CG2 3.99Å; V9-I42 PolarHBondContact N-O 3Å; V9-I42 PolarHBondContact O-N 2.75Å; I42-I50 HydrophobicContact CD1-CD1 3.98Å; I42-I50 HydrophobicContact CD1-CG1 4.07Å; I42-I50 HydrophobicContact CD1-CG2 4.04Å; I42-I50 HydrophobicContact CG1-CG2 4.09Å; I42-A52 WeakPolarHBondContact CA-O 3.46Å; I42-V53 HydrophobicContact CB-CB 4.47Å; I42-V53 HydrophobicContact CB-CG2 4.3Å; I42-V53 HydrophobicContact CD1-CB 4.43Å; I42-V53 HydrophobicContact CD1-CG2 4.44Å; I42-V53 HydrophobicContact CG1-CB 4.27Å; I42-V53 HydrophobicContact CG1-CG2 4.48Å; I42-V79 HydrophobicContact CG2-CG1 4.45Å; I42-L383 HydrophobicContact CD1-CB 4.3Å; I42-L383 HydrophobicContact CD1-CD1 4.16Å; I42-L383 HydrophobicContact CD1-CD2 4.33Å; I42-L391 HydrophobicContact CD1-CD1 4.43Å; I42-L391 HydrophobicContact CD1-CD2 3.78Å; I42-L391 HydrophobicContact CG2-CD1 4.08Å
43V98.8Very high97.8Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-114.3127.4177.8174.10000109.6H5 L8 K51 A52 I59 Y63 F68H5-V43 HydrophobicContact CB-CG1 4.24Å; L8-V43 HydrophobicContact CD1-CG2 3.87Å; V43-K51 HydrophobicContact CG1-CB 4.14Å; V43-K51 PolarHBondContact O-N 2.99Å; V43-A52 HydrophobicContact CB-CB 4.43Å; V43-A52 PolarHBondContact N-O 3.33Å; V43-I59 HydrophobicContact CG2-CG2 3.81Å; V43-Y63 HydrophobicContact CB-CE1 4.45Å; V43-Y63 HydrophobicContact CG1-CD1 4.37Å; V43-Y63 HydrophobicContact CG1-CE1 3.94Å; V43-Y63 HydrophobicContact CG2-CD1 4.27Å; V43-Y63 HydrophobicContact CG2-CD2 4.08Å; V43-Y63 HydrophobicContact CG2-CE1 4.28Å; V43-Y63 HydrophobicContact CG2-CE2 4.09Å; V43-Y63 HydrophobicContact CG2-CG 4.18Å; V43-F68 HydrophobicContact CG1-CE1 3.83Å; V43-F68 HydrophobicContact CG2-CE1 4.09Å; V43-F68 HydrophobicContact CG2-CZ 4.32Å
44V98.8Very high98.2Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-111.1127.2171.5-1710000109.5R6 L7 L49 L391R6-V44 PolarHBondContact N-O 3.25Å; L7-V44 HydrophobicContact CB-CB 4.2Å; L7-V44 HydrophobicContact CB-CG2 4.49Å; L7-V44 PolarHBondContact N-O 2.9Å; L7-V44 VanDerWaalsContact N-O 3.15Å; L7-V44 PolarHBondContact O-N 3.45Å; V44-L49 WeakPolarHBondContact CA-O 3.45Å; V44-L391 HydrophobicContact CG2-CD1 4.34Å
45G98.3Very high98.3Very high1 Ų131.6 Ų31.61%0.0118%0.177CC..EExtended strand (participates in β ladder)trans-73.9168.5178.700000113R6 D47 G48 L49R6-G45 WeakPolarHBondContact CB-O 3.31Å; G45-D47 PolarHBondContact O-N 2.89Å; G45-G48 WeakPolarHBondContact O-CA 3.4Å; G45-G48 PolarHBondContact O-N 3.35Å; G45-L49 PolarHBondContact N-O 2.71Å
46S97.2Very high98.3Very high55 Ų5531.1 Ų31.139%0.38518%0.175SC..THydrogen-bonded Turntrans-64.4-17.8175.8-52.20000113.7N4 R6 G48N4-S46 PolarHBondContact O-OG 2.8Å; R6-S46 PolarHBondContact NH2-O 2.67Å; S46-G48 PolarHBondContact O-N 3.49Å
47D96.9Very high98.3Very high83 Ų8336.9 Ų36.944%0.44420%0.199SC..THydrogen-bonded Turntrans-78.5-3.3169.462.3-6.3000113.4G45 L49 K51G45-D47 PolarHBondContact O-N 2.89Å; D47-L49 VanDerWaalsContact C-N 3.31Å; D47-L49 PolarHBondContact OD1-N 2.86Å; D47-L49 VanDerWaalsContact OD1-N 3.15Å; D47-K51 WeakPolarHBondContact OD1-CE 3.43Å; D47-K51 IonicContact OD1-NZ 2.69Å; D47-K51 PolarHBondContact OD1-NZ 3.5Å; D47-K51 WeakPolarHBondContact OD2-CE 3.24Å; D47-K51 IonicContact OD2-NZ 3.58Å; D47-K51 PolarHBondContact OD2-NZ 2.96Å
48G97.9Very high98.3Very high0 Ų038.9 Ų38.90%021%0.213CC..SBendtrans79.311.3179.700000114.5G45 S46 G389 R419G45-G48 WeakPolarHBondContact O-CA 3.4Å; G45-G48 PolarHBondContact O-N 3.35Å; S46-G48 PolarHBondContact O-N 3.49Å; G48-G389 PolarHBondContact O-N 2.85Å; G48-R419 VanDerWaalsContact CA-O 3.3Å; G48-R419 WeakPolarHBondContact CA-O 3.44Å
49L98.6Very high98.3Very high51 Ų5134.8 Ų34.827%0.26719%0.194SC..BIsolated β-bridgetrans-99.6147.5177.6-55.7-177.4000111.3V44 G45 D47 K51 K387 R388V44-L49 WeakPolarHBondContact CA-O 3.45Å; G45-L49 PolarHBondContact N-O 2.71Å; D47-L49 VanDerWaalsContact C-N 3.31Å; D47-L49 PolarHBondContact OD1-N 2.86Å; D47-L49 VanDerWaalsContact OD1-N 3.15Å; L49-K51 PolarHBondContact O-N 3.46Å; L49-K387 CarbonylContact C-O 3.49Å; L49-K387 WeakPolarHBondContact CA-O 3.39Å; L49-R388 HydrophobicContact CD2-CG 4.37Å
50I98.8Very high98.3Very high0 Ų034 Ų340%020%0.197CC..EExtended strand (participates in β ladder)trans-65124.1173.1-61169.2000108.4I42 L383 E384 N386 K387 R388I42-I50 HydrophobicContact CD1-CD1 3.98Å; I42-I50 HydrophobicContact CD1-CG1 4.07Å; I42-I50 HydrophobicContact CD1-CG2 4.04Å; I42-I50 HydrophobicContact CG1-CG2 4.09Å; I50-L383 HydrophobicContact CD1-CB 4.2Å; I50-L383 HydrophobicContact CD1-CD2 3.96Å; I50-E384 WeakPolarHBondContact CB-O 3.26Å; I50-N386 PolarHBondContact O-N 2.85Å; I50-K387 PolarHBondContact N-O 3.39Å; I50-R388 WeakPolarHBondContact CD1-O 3.33Å
51K98.6Very high98.2Very high58 Ų5837.5 Ų37.525%0.25223%0.225SC..EExtended strand (participates in β ladder)trans-102.1-29.8179.9-59-55.7179.2-174.80112.9V43 D47 L49V43-K51 HydrophobicContact CG1-CB 4.14Å; V43-K51 PolarHBondContact O-N 2.99Å; D47-K51 WeakPolarHBondContact OD1-CE 3.43Å; D47-K51 IonicContact OD1-NZ 2.69Å; D47-K51 PolarHBondContact OD1-NZ 3.5Å; D47-K51 WeakPolarHBondContact OD2-CE 3.24Å; D47-K51 IonicContact OD2-NZ 3.58Å; D47-K51 PolarHBondContact OD2-NZ 2.96Å; L49-K51 PolarHBondContact O-N 3.46Å
52A98.3Very high98.2Very high4 Ų445.5 Ų45.53%0.03325%0.254CS..EExtended strand (participates in β ladder)trans-158148.8174.100000110.3I42 V43 I59 Y63I42-A52 WeakPolarHBondContact CA-O 3.46Å; V43-A52 HydrophobicContact CB-CB 4.43Å; V43-A52 PolarHBondContact N-O 3.33Å; A52-I59 HydrophobicContact CB-CD1 3.58Å; A52-Y63 HydrophobicContact CB-CE2 3.65Å; A52-Y63 WeakPolarHBondContact CB-OH 3.47Å
53V98.4Very high98.1Very high31 Ų3146.6 Ų46.619%0.18826%0.259CS..EExtended strand (participates in β ladder)trans-145.3137.8168.659.80000107.2V15 L17 S41 I42V15-V53 HydrophobicContact CG1-CG2 3.79Å; L17-V53 HydrophobicContact CD2-CB 4.46Å; L17-V53 HydrophobicContact CD2-CG1 4.16Å; L17-V53 HydrophobicContact CD2-CG2 3.53Å; S41-V53 WeakPolarHBondContact O-CA 3.33Å; I42-V53 HydrophobicContact CB-CB 4.47Å; I42-V53 HydrophobicContact CB-CG2 4.3Å; I42-V53 HydrophobicContact CD1-CB 4.43Å; I42-V53 HydrophobicContact CD1-CG2 4.44Å; I42-V53 HydrophobicContact CG1-CB 4.27Å; I42-V53 HydrophobicContact CG1-CG2 4.48Å
54G98.3Very high97.9Very high6 Ų651 Ų516%0.06229%0.289CS..EExtended strand (participates in β ladder)trans165.5-172.5-17700000113.2A40 S41 A56A40-G54 CarbonylContact C-O 3.43Å; A40-G54 VanDerWaalsContact CA-O 3.23Å; A40-G54 WeakPolarHBondContact CA-O 3.3Å; A40-G54 VanDerWaalsContact CB-O 3.23Å; A40-G54 WeakPolarHBondContact CB-O 3.43Å; S41-G54 PolarHBondContact N-O 3.06Å; S41-G54 PolarHBondContact O-N 3.35Å; S41-G54 VanDerWaalsContact O-N 3.16Å; G54-A56 PolarHBondContact O-N 3.33Å
55P98.5Very high97.7Very high68 Ų6859.5 Ų59.544%0.44233%0.329SS..EExtended strand (participates in β ladder)trans-52.3136.6179.8-26.134.6000112.1E57 T58 I59P55-E57 VanDerWaalsContact C-N 3.31Å; P55-E57 PolarHBondContact O-N 2.73Å; P55-T58 WeakPolarHBondContact O-CB 3.37Å; P55-T58 PolarHBondContact O-N 2.67Å; P55-I59 PolarHBondContact O-N 3.3Å
56A98.3Very high97.6Very high13 Ų1360.8 Ų60.811%0.10734%0.338CS..Hα-helixtrans-58.1-42.5-170.100000112.5N39 S41 G54 T58 I59 S60N39-A56 VanDerWaalsContact O-CB 3.31Å; N39-A56 WeakPolarHBondContact O-CB 3.14Å; N39-A56 PolarHBondContact O-N 2.83Å; S41-A56 WeakPolarHBondContact OG-CA 3.45Å; S41-A56 WeakPolarHBondContact OG-CB 3.48Å; G54-A56 PolarHBondContact O-N 3.33Å; A56-T58 PolarHBondContact O-N 3.37Å; A56-I59 PolarHBondContact O-N 3.24Å; A56-S60 WeakPolarHBondContact O-CB 3.32Å; A56-S60 PolarHBondContact O-N 3.48Å
57E97.9Very high97.5Very high169 Ų16960.3 Ų60.379%0.7934%0.335SS*.Hα-helixtrans-62.1-41.7176.6-63.5-175.417100112.3P55 I59 S60 A61P55-E57 VanDerWaalsContact C-N 3.31Å; P55-E57 PolarHBondContact O-N 2.73Å; E57-I59 PolarHBondContact O-N 3.3Å; E57-S60 PolarHBondContact O-N 2.9Å; E57-A61 WeakPolarHBondContact O-CB 3.43Å; E57-A61 PolarHBondContact O-N 3.36Å
58T98.3Very high97.5Very high85 Ų8558.3 Ų58.352%0.52132%0.322SS..Hα-helixtrans-64.1-43.7178.6-61.30000110.9P55 A56 R62P55-T58 WeakPolarHBondContact O-CB 3.37Å; P55-T58 PolarHBondContact O-N 2.67Å; A56-T58 PolarHBondContact O-N 3.37Å; T58-R62 VanDerWaalsContact O-CB 3.22Å; T58-R62 WeakPolarHBondContact O-CB 3.37Å; T58-R62 PolarHBondContact O-N 2.86Å
59I98.3Very high97.5Very high5 Ų562.5 Ų62.53%0.02635%0.345CS..Hα-helixtrans-66.8-44.7177-61.8-63.8000110.5L8 V43 A52 P55 A56 E57 A61 R62 Y63L8-I59 HydrophobicContact CD1-CG2 4.11Å; V43-I59 HydrophobicContact CG2-CG2 3.81Å; A52-I59 HydrophobicContact CB-CD1 3.58Å; P55-I59 PolarHBondContact O-N 3.3Å; A56-I59 PolarHBondContact O-N 3.24Å; E57-I59 PolarHBondContact O-N 3.3Å; I59-A61 PolarHBondContact O-N 3.46Å; I59-R62 PolarHBondContact O-N 3.06Å; I59-Y63 HydrophobicContact CD1-CE2 4.47Å; I59-Y63 HydrophobicContact CG2-CD2 4.05Å; I59-Y63 WeakPolarHBondContact O-CB 2.96Å; I59-Y63 WeakPolarHBondContact O-CD2 3.37Å; I59-Y63 PolarHBondContact O-N 2.83Å
60S97.3Very high97.5Very high82 Ų8263.6 Ų63.657%0.57335%0.351SS*.Hα-helixtrans-59.7-45.9179-179.80000112.1A56 E57 S64A56-S60 WeakPolarHBondContact O-CB 3.32Å; A56-S60 PolarHBondContact O-N 3.48Å; E57-S60 PolarHBondContact O-N 2.9Å; S60-S64 WeakPolarHBondContact O-CA 3.43Å; S60-S64 PolarHBondContact O-N 2.76Å; S60-S64 VanDerWaalsContact O-N 3.1Å
61A97.5Very high97.4Very high72 Ų7267.4 Ų67.460%0.59537%0.374SS*.Hα-helixtrans-65.2-42.5177.100000112.3E57 I59 Y63 S64E57-A61 WeakPolarHBondContact O-CB 3.43Å; E57-A61 PolarHBondContact O-N 3.36Å; I59-A61 PolarHBondContact O-N 3.46Å; A61-Y63 VanDerWaalsContact C-N 3.33Å; A61-Y63 PolarHBondContact O-N 3.38Å; A61-S64 PolarHBondContact O-OG 2.95Å
62R97.5Very high97.4Very high172 Ų17265 Ų6565%0.64936%0.364SS*.Hα-helixtrans-69.3-29.5-178.1-179.1174.6177.7-179.70.6113.5T58 I59T58-R62 VanDerWaalsContact O-CB 3.22Å; T58-R62 WeakPolarHBondContact O-CB 3.37Å; T58-R62 PolarHBondContact O-N 2.86Å; I59-R62 PolarHBondContact O-N 3.06Å
63Y96.8Very high97.4Very high23 Ų2368.6 Ų68.69%0.0938%0.382CS..THydrogen-bonded Turntrans-115.722.4-174.7-69.2-93.3000112.8H5 V43 A52 I59 A61 E65 S66 F68H5-Y63 AromaticContact CE1-CE1 3.87Å; H5-Y63 AromaticContact NE2-CD1 3.8Å; H5-Y63 AromaticContact NE2-CE1 3.54Å; V43-Y63 HydrophobicContact CB-CE1 4.45Å; V43-Y63 HydrophobicContact CG1-CD1 4.37Å; V43-Y63 HydrophobicContact CG1-CE1 3.94Å; V43-Y63 HydrophobicContact CG2-CD1 4.27Å; V43-Y63 HydrophobicContact CG2-CD2 4.08Å; V43-Y63 HydrophobicContact CG2-CE1 4.28Å; V43-Y63 HydrophobicContact CG2-CE2 4.09Å; V43-Y63 HydrophobicContact CG2-CG 4.18Å; A52-Y63 HydrophobicContact CB-CE2 3.65Å; A52-Y63 WeakPolarHBondContact CB-OH 3.47Å; I59-Y63 HydrophobicContact CD1-CE2 4.47Å; I59-Y63 HydrophobicContact CG2-CD2 4.05Å; I59-Y63 WeakPolarHBondContact O-CB 2.96Å; I59-Y63 WeakPolarHBondContact O-CD2 3.37Å; I59-Y63 PolarHBondContact O-N 2.83Å; A61-Y63 VanDerWaalsContact C-N 3.33Å; A61-Y63 PolarHBondContact O-N 3.38Å; Y63-E65 VanDerWaalsContact C-N 3.28Å; Y63-E65 PolarHBondContact O-N 3.16Å; Y63-S66 WeakPolarHBondContact O-CB 3.45Å; Y63-S66 PolarHBondContact O-N 3.44Å; Y63-S66 VanDerWaalsContact O-N 3.13Å; Y63-F68 HydrophobicContact CD1-CZ 4.23Å; Y63-F68 HydrophobicContact CG-CZ 4.39Å
64S94.6Very high97.4Very high92 Ų9267.1 Ų67.164%0.64337%0.373SS*.THydrogen-bonded Turntrans-62.2-30.6-177.956.20000114.1S60 A61S60-S64 WeakPolarHBondContact O-CA 3.43Å; S60-S64 PolarHBondContact O-N 2.76Å; S60-S64 VanDerWaalsContact O-N 3.1Å; A61-S64 PolarHBondContact O-OG 2.95Å
65E94.6Very high97.3Very high180 Ų18069.8 Ų69.884%0.84140%0.395SS*.THydrogen-bonded Turntrans-99.16.7177.6-58.6-172159.900113.3Y63Y63-E65 VanDerWaalsContact C-N 3.28Å; Y63-E65 PolarHBondContact O-N 3.16Å
66S96.1Very high97.2Very high27 Ų2768.1 Ų68.119%0.18939%0.39CS..  trans-85.8148.7177.4-81.30000111.7R3 Y63R3-S66 PolarHBondContact O-OG 3.32Å; Y63-S66 WeakPolarHBondContact O-CB 3.45Å; Y63-S66 PolarHBondContact O-N 3.44Å; Y63-S66 VanDerWaalsContact O-N 3.13Å
67S96.2Very high97.2Very high46 Ų4668.9 Ų68.932%0.32239%0.392SS..EExtended strand (participates in β ladder)trans-102.1150.4168.159.80000110.3R3 N4 H5R3-S67 PolarHBondContact O-N 3.42Å; N4-S67 PolarHBondContact OD1-O 3.49Å; N4-S67 PolarHBondContact OD1-OG 2.82Å; H5-S67 PolarHBondContact N-O 3.28Å
68F97.5Very high97.2Very high40 Ų4060.8 Ų60.818%0.17535%0.354CS..EExtended strand (participates in β ladder)trans-131.7134.8179.5-60-88.1000109.7H5 L8 V43 Y63 N70 V71H5-F68 HydrophobicContact CB-CD1 3.47Å; H5-F68 VanDerWaalsContact CB-CD1 3.47Å; H5-F68 HydrophobicContact CB-CE1 3.57Å; H5-F68 HydrophobicContact CB-CG 4.45Å; H5-F68 AromaticContact CG-CE1 3.99Å; H5-F68 CarbonylContact O-C 3.52Å; H5-F68 VanDerWaalsContact O-CA 3.3Å; H5-F68 WeakPolarHBondContact O-CA 3.22Å; L8-F68 HydrophobicContact CB-CB 4.47Å; L8-F68 HydrophobicContact CB-CD1 3.52Å; L8-F68 HydrophobicContact CB-CD2 4.09Å; L8-F68 HydrophobicContact CB-CE1 3.65Å; L8-F68 HydrophobicContact CB-CE2 4.21Å; L8-F68 HydrophobicContact CB-CG 3.76Å; L8-F68 HydrophobicContact CB-CZ 3.99Å; L8-F68 HydrophobicContact CD2-CD2 4.2Å; L8-F68 HydrophobicContact CD2-CE2 3.9Å; L8-F68 HydrophobicContact CD2-CZ 4.12Å; L8-F68 HydrophobicContact CG-CZ 4.45Å; V43-F68 HydrophobicContact CG1-CE1 3.83Å; V43-F68 HydrophobicContact CG2-CE1 4.09Å; V43-F68 HydrophobicContact CG2-CZ 4.32Å; Y63-F68 HydrophobicContact CD1-CZ 4.23Å; Y63-F68 HydrophobicContact CG-CZ 4.39Å; F68-N70 PolarHBondContact O-N 3.22Å; F68-V71 HydrophobicContact CB-CG2 3.83Å; F68-V71 HydrophobicContact CD2-CG2 4.43Å; F68-V71 HydrophobicContact CG-CG2 4.36Å
69D97.6Very high97.2Very high89 Ų8956.8 Ų56.848%0.47633%0.329SS..EExtended strand (participates in β ladder)trans-63.7-35.3174.7-53.7-30.9000110.7N4 H5 R6N4-D69 PolarHBondContact ND2-OD1 2.95Å; H5-D69 PolarHBondContact O-N 3.42Å; R6-D69 WeakPolarHBondContact O-CB 3.4Å; R6-D69 PolarHBondContact O-N 3.38Å
70N97.8Very high97.3Very high73 Ų7356.5 Ų56.539%0.3933%0.328SS..EExtended strand (participates in β ladder)trans-136.9145175.2-65.3-88.8000111.5R6 L7 L8 F68R6-N70 PolarHBondContact O-N 3.07Å; L7-N70 WeakPolarHBondContact CA-O 3.11Å; L7-N70 HydrophobicContact CD1-CB 3.83Å; L8-N70 PolarHBondContact N-O 2.71Å; F68-N70 PolarHBondContact O-N 3.22Å
71V97.9Very high97.3Very high81 Ų8152.7 Ų52.749%0.49130%0.302SS..EExtended strand (participates in β ladder)trans-129.7125.2172.5-177.20000108.9L8 K10 F68L8-V71 HydrophobicContact CB-CG1 4.45Å; L8-V71 HydrophobicContact CB-CG2 4.38Å; L8-V71 HydrophobicContact CD2-CG1 4.22Å; L8-V71 HydrophobicContact CG-CG1 4.39Å; L8-V71 CarbonylContact O-C 3.56Å; L8-V71 WeakPolarHBondContact O-CA 3.41Å; K10-V71 HydrophobicContact CD-CG1 4.15Å; K10-V71 HydrophobicContact CG-CG1 4.37Å; F68-V71 HydrophobicContact CB-CG2 3.83Å; F68-V71 HydrophobicContact CD2-CG2 4.43Å; F68-V71 HydrophobicContact CG-CG2 4.36Å
72I98.3Very high97.4Very high8 Ų849.4 Ų49.44%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-110.4123.5174.6-60.1173.7000108.1L7 L8 V9 K10 I393 Y415 I422L7-I72 HydrophobicContact CD1-CD1 3.91Å; L7-I72 HydrophobicContact CD1-CG1 3.98Å; L8-I72 PolarHBondContact O-N 3.45Å; V9-I72 WeakPolarHBondContact CA-O 3.49Å; V9-I72 HydrophobicContact CG1-CB 4.31Å; V9-I72 HydrophobicContact CG1-CG2 4.34Å; V9-I72 HydrophobicContact CG2-CB 4.39Å; V9-I72 HydrophobicContact CG2-CD1 4.37Å; K10-I72 WeakPolarHBondContact CG-O 3.09Å; K10-I72 PolarHBondContact N-O 2.78Å; I72-I393 HydrophobicContact CB-CD1 4.49Å; I72-I393 HydrophobicContact CD1-CD1 3.63Å; I72-I393 HydrophobicContact CG2-CD1 3.98Å; I72-Y415 HydrophobicContact CD1-CD1 4.4Å; I72-Y415 HydrophobicContact CD1-CD2 4.12Å; I72-Y415 HydrophobicContact CD1-CE2 4.27Å; I72-Y415 HydrophobicContact CD1-CG 4.18Å; I72-Y415 HydrophobicContact CG2-CD2 4.1Å; I72-Y415 HydrophobicContact CG2-CE2 3.64Å; I72-I422 HydrophobicContact CD1-CD1 3.86Å; I72-I422 HydrophobicContact CD1-CG1 4.17Å; I72-I422 HydrophobicContact CG1-CD1 4.28Å
73D97.9Very high97.5Very high78 Ų7841.2 Ų41.242%0.41724%0.243SC..EExtended strand (participates in β ladder)trans-85.9108.7168-154.7-23000109K10 N11 A75K10-D73 WeakPolarHBondContact CE-OD2 3.41Å; K10-D73 IonicContact NZ-OD2 3.09Å; K10-D73 PolarHBondContact NZ-OD2 3.2Å; K10-D73 VanDerWaalsContact NZ-OD2 3.17Å; N11-D73 PolarHBondContact ND2-OD1 3.48Å; N11-D73 VanDerWaalsContact ND2-OD1 3.15Å; D73-A75 PolarHBondContact OD1-N 3.35Å
74A97.9Very high97.6Very high0 Ų040.1 Ų40.10%024%0.239CC..  trans-99.922.8-17700000111.9V9 K10 N11 A12 G76 M77V9-A74 HydrophobicContact CG1-CB 3.6Å; K10-A74 PolarHBondContact O-N 3.25Å; N11-A74 CarbonylContact O-C 3.52Å; A12-A74 WeakPolarHBondContact CA-O 3.47Å; A12-A74 HydrophobicContact CB-CB 3.88Å; A74-G76 PolarHBondContact O-N 3.16Å; A74-M77 HydrophobicContact CB-CB 4.09Å; A74-M77 WeakPolarHBondContact O-CA 3.29Å; A74-M77 VanDerWaalsContact O-CB 3.26Å; A74-M77 WeakPolarHBondContact O-CB 3.4Å; A74-M77 PolarHBondContact O-N 2.88Å
75A97.1Very high97.8Very high63 Ų6335.7 Ų35.752%0.52121%0.208SC..THydrogen-bonded Turntrans-51.6125.9173.500000111.1N11 D73 M77N11-A75 HydrophobicContact CB-CB 4.44Å; N11-A75 VanDerWaalsContact O-CA 3.26Å; N11-A75 WeakPolarHBondContact O-CA 3.19Å; N11-A75 PolarHBondContact O-N 2.83Å; D73-A75 PolarHBondContact OD1-N 3.35Å; A75-M77 PolarHBondContact O-N 2.75Å
76G96.3Very high98Very high33 Ų3327.1 Ų27.134%0.3417%0.168SC..THydrogen-bonded Turntrans73.64.8-17600000115.4A74 A396 T397A74-G76 PolarHBondContact O-N 3.16Å; G76-A396 CarbonylContact O-C 3.44Å; G76-A396 VanDerWaalsContact O-C 3.24Å; G76-T397 WeakPolarHBondContact O-CA 3.39Å; G76-T397 WeakPolarHBondContact O-CG2 3.43Å; G76-T397 PolarHBondContact O-N 3.35Å
77M98Very high98.1Very high28 Ų2825.9 Ų25.914%0.13816%0.159CC..  trans-110.7162.8179.9-59.6-173.8-169.400111.8Q13 A74 A75 I393 L394 A396 R414Q13-M77 WeakPolarHBondContact CB-O 3.48Å; Q13-M77 PolarHBondContact N-O 3.04Å; A74-M77 HydrophobicContact CB-CB 4.09Å; A74-M77 WeakPolarHBondContact O-CA 3.29Å; A74-M77 VanDerWaalsContact O-CB 3.26Å; A74-M77 WeakPolarHBondContact O-CB 3.4Å; A74-M77 PolarHBondContact O-N 2.88Å; A75-M77 PolarHBondContact O-N 2.75Å; M77-I393 HydrophobicContact CB-CG2 4.13Å; M77-I393 HydrophobicContact SD-CG2 3.95Å; M77-L394 WeakPolarHBondContact CA-O 3.34Å; M77-L394 WeakPolarHBondContact CB-O 3.38Å; M77-A396 CarbonylContact C-O 3.39Å; M77-A396 VanDerWaalsContact C-O 3.25Å; M77-A396 VanDerWaalsContact CA-O 3.28Å; M77-A396 WeakPolarHBondContact CA-O 3.47Å; M77-R414 HydrophobicContact SD-CG 4.27Å
78C98.1Very high98.2Very high0 Ų023.7 Ų23.70%014%0.144CC..EExtended strand (participates in β ladder)trans-110.5144.1174.1-680000111.4Q14 L80 I393 L394 A396 T397 R398 W399Q14-C78 HydrophobicContact CB-CB 4.49Å; Q14-C78 CarbonylContact O-C 3.51Å; Q14-C78 WeakPolarHBondContact O-CA 3.48Å; C78-L80 HydrophobicContact CB-CD1 4.24Å; C78-I393 CarbonylContact O-C 3.59Å; C78-I393 VanDerWaalsContact O-CA 3.32Å; C78-I393 WeakPolarHBondContact O-CA 3.5Å; C78-L394 HydrophobicContact CB-CB 4.41Å; C78-L394 PolarHBondContact N-O 3.36Å; C78-L394 PolarHBondContact O-N 2.92Å; C78-A396 PolarHBondContact N-O 2.85Å; C78-A396 PolarHBondContact SG-O 3.4Å; C78-T397 PolarHBondContact SG-O 3.13Å; C78-T397 VanDerWaalsContact SG-O 3.35Å; C78-R398 WeakPolarHBondContact SG-CA 3.39Å; C78-R398 PolarHBondContact SG-N 3.04Å; C78-W399 HydrophobicContact CB-CB 4.48Å; C78-W399 PolarHBondContact SG-N 2.87Å
79V98.8Very high98.3Very high0 Ų021.9 Ų21.90%014%0.136CC..EExtended strand (participates in β ladder)trans-113.7129.9172.6-175.60000109.3V9 A12 Q14 V15 V16 I42 L383 L391 L392 I393V9-V79 HydrophobicContact CG1-CG2 3.82Å; A12-V79 HydrophobicContact CB-CG2 3.66Å; Q14-V79 PolarHBondContact O-N 2.96Å; V15-V79 WeakPolarHBondContact CA-O 3.47Å; V15-V79 HydrophobicContact CG1-CB 4.32Å; V15-V79 HydrophobicContact CG2-CB 4.18Å; V15-V79 HydrophobicContact CG2-CG2 4.45Å; V16-V79 PolarHBondContact N-O 3.11Å; I42-V79 HydrophobicContact CG2-CG1 4.45Å; V79-L383 HydrophobicContact CG1-CD1 4.04Å; V79-L391 HydrophobicContact CG1-CB 4.3Å; V79-L391 HydrophobicContact CG1-CD1 4.49Å; V79-L392 CarbonylContact C-O 3.54Å; V79-L392 VanDerWaalsContact CA-O 3.28Å; V79-L392 WeakPolarHBondContact CA-O 3.26Å; V79-I393 HydrophobicContact CG2-CG1 4.31Å
80L98.8Very high98.3Very high0 Ų017.6 Ų17.60%011%0.113CC..EExtended strand (participates in β ladder)trans-124.9164.3175.9-63.790.3000109.7V16 C78 L363 L391 L392 L394 W399 L402V16-L80 HydrophobicContact CB-CG 4.17Å; V16-L80 HydrophobicContact CG2-CG 4.18Å; C78-L80 HydrophobicContact CB-CD1 4.24Å; L80-L363 HydrophobicContact CD2-CD1 3.85Å; L80-L363 HydrophobicContact CD2-CD2 3.88Å; L80-L391 CarbonylContact O-C 3.55Å; L80-L391 WeakPolarHBondContact O-CA 3.35Å; L80-L392 HydrophobicContact CB-CB 4.43Å; L80-L392 PolarHBondContact N-O 3.27Å; L80-L392 PolarHBondContact O-N 3.18Å; L80-L394 HydrophobicContact CD1-CD1 3.39Å; L80-L394 HydrophobicContact CD1-CD2 4.45Å; L80-L394 HydrophobicContact CD1-CG 3.58Å; L80-W399 HydrophobicContact CD1-CB 4.12Å; L80-W399 HydrophobicContact CD2-CB 4.05Å; L80-W399 HydrophobicContact CG-CB 4.23Å; L80-L402 HydrophobicContact CD2-CD2 3.85Å
81P98.8Very high98.4Very high2 Ų214.1 Ų14.11%0.01310%0.095CC..EExtended strand (participates in β ladder)trans-62152.5163.2-5.220.3000110.3V16 I18 L83 T367 L383V16-P81 WeakPolarHBondContact O-CD 3.47Å; I18-P81 HydrophobicContact CD1-CG 4.42Å; I18-P81 HydrophobicContact CG1-CG 3.56Å; P81-L83 PolarHBondContact O-N 2.9Å; P81-T367 HydrophobicContact CG-CG2 4.46Å; P81-L383 HydrophobicContact CB-CD2 3.93Å; P81-L383 HydrophobicContact CB-CG 4.23Å; P81-L383 HydrophobicContact CG-CD2 4.2Å; P81-L383 HydrophobicContact CG-CG 3.93Å
82G98.7Very high98.4Very high2 Ų210.5 Ų10.52%0.0217%0.072CC..PPolyproline II helixtrans-52.7137.7164.500000111.3T151 D390G82-T151 WeakPolarHBondContact CA-OG1 3.36Å; G82-D390 PolarHBondContact N-O 3.34Å
83L98.9Very high98.4Very high0 Ų011 Ų110%08%0.077CC..EExtended strand (participates in β ladder)trans-72149179.8-61.7171.2000110.1P81 G149 T150 T151 L152 M344 P345 M348 L363 A366 T367 L392 L402P81-L83 PolarHBondContact O-N 2.9Å; L83-G149 WeakPolarHBondContact CB-O 3.29Å; L83-G149 PolarHBondContact N-O 2.91Å; L83-T150 WeakPolarHBondContact O-CA 3.02Å; L83-T151 PolarHBondContact O-N 2.99Å; L83-L152 PolarHBondContact O-N 3.44Å; L83-M344 HydrophobicContact CB-CB 4.2Å; L83-M344 HydrophobicContact CD1-CB 3.79Å; L83-P345 HydrophobicContact CD1-CG 3.91Å; L83-M348 HydrophobicContact CD1-CE 4.13Å; L83-M348 HydrophobicContact CD2-CE 3.97Å; L83-L363 HydrophobicContact CD2-CD1 4.32Å; L83-A366 HydrophobicContact CD2-CB 4.38Å; L83-T367 HydrophobicContact CD2-CG2 4Å; L83-L392 HydrophobicContact CD1-CD1 3.92Å; L83-L392 HydrophobicContact CD2-CD1 4.48Å; L83-L392 HydrophobicContact CG-CD1 3.66Å; L83-L402 HydrophobicContact CD1-CD2 4.48Å; L83-L402 HydrophobicContact CD2-CD2 4.46Å
84V98.9Very high98.2Very high0 Ų09.1 Ų9.10%08%0.077CC..EExtended strand (participates in β ladder)trans-112.5120.7176.3-175.40000108.5L152 A366 A370 A371 L374 H380V84-L152 WeakPolarHBondContact CA-O 3.39Å; V84-L152 HydrophobicContact CG1-CB 4.09Å; V84-L152 HydrophobicContact CG1-CD2 3.69Å; V84-L152 HydrophobicContact CG1-CG 3.83Å; V84-L152 HydrophobicContact CG2-CB 4.13Å; V84-L152 HydrophobicContact CG2-CD2 4.17Å; V84-A366 PolarHBondContact N-O 3.35Å; V84-A370 HydrophobicContact CB-CB 3.64Å; V84-A370 HydrophobicContact CG1-CB 3.72Å; V84-A371 HydrophobicContact CG2-CB 4.19Å; V84-L374 HydrophobicContact CG1-CD1 3.88Å; V84-H380 HydrophobicContact CG2-CB 4.49Å
85D98.9Very high97.9Very high0 Ų013.1 Ų13.10%010%0.098CC..EExtended strand (participates in β ladder)trans-95.6102.5171.6-165-19.4000108.9H87 T88 M145 T150 L152 V153 E154 G332 S333 M344D85-H87 VanDerWaalsContact C-N 3.26Å; D85-H87 PolarHBondContact O-N 2.88Å; D85-T88 HydrophobicContact CB-CG2 4.41Å; D85-T88 VanDerWaalsContact CG-CG2 3.47Å; D85-T88 WeakPolarHBondContact OD2-CG2 3.33Å; D85-M145 HydrophobicContact CB-CE 4.03Å; D85-M145 WeakPolarHBondContact OD2-CE 3.34Å; D85-T150 HydrophobicContact CB-CG2 3.83Å; D85-L152 PolarHBondContact N-O 3.06Å; D85-V153 HydrophobicContact CB-CG2 4.28Å; D85-V153 WeakPolarHBondContact O-CA 3.3Å; D85-E154 PolarHBondContact O-N 3.39Å; D85-G332 WeakPolarHBondContact OD1-CA 3.49Å; D85-S333 VanDerWaalsContact CG-OG 3.3Å; D85-S333 PolarHBondContact OD1-N 3.41Å; D85-S333 PolarHBondContact OD1-OG 3.45Å; D85-S333 WeakPolarHBondContact OD2-CB 3.21Å; D85-S333 PolarHBondContact OD2-OG 2.8Å; D85-M344 HydrophobicContact CB-CG 3.85Å; D85-M344 HydrophobicContact CB-SD 3.81Å
86A98.8Very high97.5Very high0 Ų011.6 Ų11.60%08%0.079CC..  trans-76.5-8.8-169.500000114.3E154 V303 L331 A370 A373A86-E154 WeakPolarHBondContact O-CB 3.26Å; A86-V303 HydrophobicContact CB-CG1 3.81Å; A86-V303 HydrophobicContact CB-CG2 4.3Å; A86-L331 WeakPolarHBondContact CB-O 3.29Å; A86-L331 PolarHBondContact N-O 3.14Å; A86-A370 HydrophobicContact CB-CB 3.87Å; A86-A373 HydrophobicContact CB-CB 4.48Å
87H98.9Very high97.1Very high0 Ų014.8 Ų14.80%09%0.092CC..  trans-156.8110.6-173.9-169.9114.1000112.7D85 H89 E154 K156 H260 S282 V303 L305 D334D85-H87 VanDerWaalsContact C-N 3.26Å; D85-H87 PolarHBondContact O-N 2.88Å; H87-H89 AromaticContact NE2-NE2 3.65Å; H87-E154 VanDerWaalsContact CA-OE2 3.32Å; H87-E154 WeakPolarHBondContact CA-OE2 3.12Å; H87-K156 WeakPolarHBondContact CE1-CE 3.4Å; H87-K156 VanDerWaalsContact CG-CE 3.5Å; H87-K156 WeakPolarHBondContact ND1-CE 3.15Å; H87-K156 PolarHBondContact ND1-NZ 2.85Å; H87-H260 AromaticContact CE1-CD2 3.59Å; H87-H260 AromaticContact CE1-CE1 3.28Å; H87-H260 PolarHBondContact CE1-CE1 3.22Å; H87-H260 AromaticContact CE1-CG 3.95Å; H87-H260 AromaticContact CE1-ND1 3.79Å; H87-H260 AromaticContact CE1-NE2 3.1Å; H87-H260 PolarHBondContact CE1-NE2 3.22Å; H87-H260 AromaticContact NE2-CD2 3.7Å; H87-H260 AromaticContact NE2-CE1 3.55Å; H87-H260 AromaticContact NE2-NE2 2.99Å; H87-H260 PolarHBondContact NE2-NE2 3.37Å; H87-S282 WeakPolarHBondContact CE1-CB 3.27Å; H87-S282 PolarHBondContact CE1-OG 3.1Å; H87-S282 VanDerWaalsContact ND1-CB 3.26Å; H87-S282 WeakPolarHBondContact ND1-CB 3.44Å; H87-S282 PolarHBondContact ND1-OG 2.99Å; H87-V303 HydrophobicContact CB-CG1 3.97Å; H87-L305 HydrophobicContact CB-CD2 3.76Å; H87-D334 IonicContact CD2-OD1 2.63Å; H87-D334 PolarHBondContact CD2-OD1 3.26Å; H87-D334 IonicContact NE2-OD1 3.91Å; H87-D334 PolarHBondContact NE2-OD1 3.15Å; H87-D334 VanDerWaalsContact O-CA 3.25Å; H87-D334 WeakPolarHBondContact O-CA 3.47Å; H87-D334 PolarHBondContact O-N 3.3Å
88T98.9Very high96.3Very high0 Ų016.5 Ų16.50%010%0.099CC..BIsolated β-bridgetrans-146.4159.8172780000113.4D85 P90 M145 V153 E154 K156 S333 F335D85-T88 HydrophobicContact CB-CG2 4.41Å; D85-T88 VanDerWaalsContact CG-CG2 3.47Å; D85-T88 WeakPolarHBondContact OD2-CG2 3.33Å; T88-P90 VanDerWaalsContact C-CD 3.5Å; T88-P90 WeakPolarHBondContact O-CD 3.47Å; T88-P90 VanDerWaalsContact OG1-CD 3.26Å; T88-P90 WeakPolarHBondContact OG1-CD 3.41Å; T88-P90 WeakPolarHBondContact OG1-CG 3.38Å; T88-M145 HydrophobicContact CG2-CE 3.8Å; T88-V153 HydrophobicContact CG2-CG2 3.95Å; T88-E154 WeakPolarHBondContact CB-O 3.32Å; T88-E154 PolarHBondContact N-O 2.78Å; T88-E154 PolarHBondContact OG1-O 3.48Å; T88-K156 WeakPolarHBondContact O-CB 3.48Å; T88-K156 VanDerWaalsContact O-CG 3.3Å; T88-K156 WeakPolarHBondContact O-CG 3.3Å; T88-K156 PolarHBondContact O-N 3.23Å; T88-S333 WeakPolarHBondContact CG2-OG 3.34Å; T88-F335 HydrophobicContact CG2-CB 3.87Å
89H98.6Very high95.5Very high2 Ų216.6 Ų16.61%0.00910%0.1CC..  trans-119.368.3170.9-62-99.5000109.6H87 V91 W92 K156 Y159 H192 H260 D334 F335 N336H87-H89 AromaticContact NE2-NE2 3.65Å; H89-V91 VanDerWaalsContact C-N 3.32Å; H89-V91 PolarHBondContact O-N 3.43Å; H89-W92 VanDerWaalsContact O-CZ3 3.29Å; H89-W92 WeakPolarHBondContact O-CZ3 3.43Å; H89-K156 VanDerWaalsContact CE1-CD 3.49Å; H89-K156 WeakPolarHBondContact CE1-CD 3.25Å; H89-Y159 HydrophobicContact CB-CE2 3.86Å; H89-H192 AromaticContact CE1-CE1 3.22Å; H89-H192 PolarHBondContact CE1-CE1 2.61Å; H89-H192 AromaticContact CE1-ND1 3.9Å; H89-H192 AromaticContact CE1-NE2 3.54Å; H89-H192 AromaticContact ND1-CE1 3.42Å; H89-H192 PolarHBondContact ND1-CE1 2.85Å; H89-H192 AromaticContact ND1-ND1 3.97Å; H89-H192 AromaticContact NE2-CE1 3.98Å; H89-H260 AromaticContact CE1-CE1 3.61Å; H89-H260 AromaticContact CE1-NE2 3.57Å; H89-H260 AromaticContact NE2-CE1 3.46Å; H89-H260 PolarHBondContact NE2-CE1 2.57Å; H89-H260 AromaticContact NE2-NE2 3.02Å; H89-H260 PolarHBondContact NE2-NE2 3.39Å; H89-D334 IonicContact CD2-OD1 3.08Å; H89-D334 PolarHBondContact CD2-OD1 3.35Å; H89-D334 IonicContact NE2-OD1 3.24Å; H89-F335 CarbonylContact C-O 3.57Å; H89-F335 PolarHBondContact N-O 3.04Å; H89-N336 HydrophobicContact CB-CB 3.85Å
90P98.3Very high94.7Very high0 Ų021.9 Ų21.90%012%0.123CC..  trans-84.6-7-162.134.2-30.8000113.5T88 W92 L138 R141 C155 F335T88-P90 VanDerWaalsContact C-CD 3.5Å; T88-P90 WeakPolarHBondContact O-CD 3.47Å; T88-P90 VanDerWaalsContact OG1-CD 3.26Å; T88-P90 WeakPolarHBondContact OG1-CD 3.41Å; T88-P90 WeakPolarHBondContact OG1-CG 3.38Å; P90-W92 VanDerWaalsContact C-CE3 3.48Å; P90-L138 HydrophobicContact CB-CD1 3.67Å; P90-L138 HydrophobicContact CG-CD1 3.8Å; P90-R141 WeakPolarHBondContact O-CD 3.32Å; P90-R141 PolarHBondContact O-NH1 3.33Å; P90-C155 HydrophobicContact CG-CB 3.69Å; P90-C155 WeakPolarHBondContact CG-SG 3.34Å; P90-F335 HydrophobicContact CB-CD1 4.49Å
91V98.6Very high93.6Very high0 Ų024.8 Ų24.80%015%0.147CC..  trans-102.4110.4180-173.30000109.2H89 L134 L138 Y159 M169 V172 I173H89-V91 VanDerWaalsContact C-N 3.32Å; H89-V91 PolarHBondContact O-N 3.43Å; V91-L134 HydrophobicContact CG1-CB 4.24Å; V91-L134 HydrophobicContact CG1-CD1 4.36Å; V91-L134 HydrophobicContact CG1-CD2 4.4Å; V91-L138 HydrophobicContact CG2-CD1 4.04Å; V91-L138 HydrophobicContact CG2-CD2 3.86Å; V91-L138 HydrophobicContact CG2-CG 4.37Å; V91-Y159 WeakPolarHBondContact O-CD2 3.13Å; V91-M169 HydrophobicContact CB-CE 3.89Å; V91-M169 HydrophobicContact CG1-CB 4.14Å; V91-M169 HydrophobicContact CG1-CE 4.02Å; V91-M169 HydrophobicContact CG1-CG 3.98Å; V91-M169 WeakPolarHBondContact O-CE 3.45Å; V91-V172 HydrophobicContact CG1-CG1 4.21Å; V91-V172 HydrophobicContact CG2-CG1 4.41Å; V91-I173 HydrophobicContact CG2-CD1 4.06Å; V91-I173 HydrophobicContact CG2-CG1 3.65Å
92W98.4Very high92.4Very high4 Ų427.1 Ų27.12%0.01516%0.158CC..  trans-166.3161.9174.677.293.9000110.1H89 P90 G94 T122 T126 R141 Y159 F335 P337 Y340H89-W92 VanDerWaalsContact O-CZ3 3.29Å; H89-W92 WeakPolarHBondContact O-CZ3 3.43Å; P90-W92 VanDerWaalsContact C-CE3 3.48Å; W92-G94 VanDerWaalsContact CD1-O 3.27Å; W92-G94 PolarHBondContact NE1-O 2.81Å; W92-T122 HydrophobicContact CB-CG2 3.69Å; W92-T122 HydrophobicContact CG-CG2 4.24Å; W92-T126 WeakPolarHBondContact CA-OG1 3.31Å; W92-R141 VanDerWaalsContact CE3-NH1 3.33Å; W92-R141 VanDerWaalsContact CH2-NE 3.32Å; W92-R141 PolarHBondContact O-NH1 2.72Å; W92-R141 PolarHBondContact O-NH2 3.3Å; W92-Y159 HydrophobicContact CB-CD2 3.76Å; W92-Y159 HydrophobicContact CB-CE2 4.17Å; W92-F335 HydrophobicContact CH2-CD1 4.32Å; W92-F335 AromaticContact CH2-CE1 3.66Å; W92-F335 HydrophobicContact CH2-CE1 3.66Å; W92-F335 HydrophobicContact CH2-CE2 4.1Å; W92-F335 AromaticContact CH2-CZ 3.55Å; W92-F335 HydrophobicContact CH2-CZ 3.55Å; W92-F335 HydrophobicContact CZ3-CD1 4.32Å; W92-F335 AromaticContact CZ3-CE1 3.96Å; W92-F335 HydrophobicContact CZ3-CE1 3.96Å; W92-F335 HydrophobicContact CZ3-CZ 4.32Å; W92-P337 HydrophobicContact CB-CG 4.23Å; W92-P337 HydrophobicContact CD2-CB 4.42Å; W92-P337 HydrophobicContact CD2-CG 3.74Å; W92-P337 HydrophobicContact CE3-CG 4.35Å; W92-P337 HydrophobicContact CG-CB 4.46Å; W92-P337 HydrophobicContact CG-CG 3.66Å; W92-P337 HydrophobicContact CZ2-CB 4.46Å; W92-Y340 HydrophobicContact CH2-CE2 4.3Å; W92-Y340 HydrophobicContact CZ2-CD2 4.25Å; W92-Y340 AromaticContact CZ2-CE2 3.82Å; W92-Y340 HydrophobicContact CZ2-CE2 3.82Å
93A97.9Very high91.4Very high18 Ų1829.8 Ų29.815%0.14917%0.169CC..  trans-115.1157.5168.100000112.1H125 T126 A129 L134A93-H125 HydrophobicContact CB-CB 4.25Å; A93-H125 WeakPolarHBondContact CB-O 3.41Å; A93-H125 WeakPolarHBondContact O-CB 3.44Å; A93-T126 PolarHBondContact N-OG1 2.87Å; A93-T126 VanDerWaalsContact N-OG1 3.1Å; A93-A129 HydrophobicContact CB-CB 3.52Å; A93-L134 HydrophobicContact CB-CD2 3.95Å
94G93.9Very high90.1Very high39 Ų3934.7 Ų34.740%0.40220%0.195SC..SBendtrans76.7-173.3-17400000113.9W92W92-G94 VanDerWaalsContact CD1-O 3.27Å; W92-G94 PolarHBondContact NE1-O 2.81Å
95D91.4Very high88.7Confident85 Ų8539 Ų3946%0.45523%0.23SC..  trans-140.2162.5175.471.375.6000111.1V97 Y121D95-V97 HydrophobicContact CB-CG2 4.27Å; D95-V97 VanDerWaalsContact OD1-CB 3.31Å; D95-V97 WeakPolarHBondContact OD1-CB 3.21Å; D95-V97 VanDerWaalsContact OD1-CG2 3.3Å; D95-V97 WeakPolarHBondContact OD1-CG2 3.4Å; D95-V97 PolarHBondContact OD1-N 2.73Å; D95-Y121 WeakPolarHBondContact O-CE1 3.36Å
96R89.8Confident87.5Confident30 Ų3041.9 Ų41.911%0.11326%0.26CS..  trans-114.129.8178.4-64.1177.869.7-176.6-8.1111.8H98 E99 F100 G118 Y121 T122 P337R96-H98 VanDerWaalsContact C-N 3.26Å; R96-H98 PolarHBondContact O-N 2.79Å; R96-E99 HydrophobicContact CB-CB 4.4Å; R96-E99 HydrophobicContact CB-CG 4.31Å; R96-E99 WeakPolarHBondContact CG-OE1 3.43Å; R96-E99 IonicContact CZ-OE1 3.53Å; R96-E99 IonicContact CZ-OE2 3.17Å; R96-E99 VanDerWaalsContact CZ-OE2 3.24Å; R96-E99 IonicContact NE-OE1 2.75Å; R96-E99 PolarHBondContact NE-OE1 3.45Å; R96-E99 IonicContact NE-OE2 2.76Å; R96-E99 PolarHBondContact NE-OE2 3.13Å; R96-E99 VanDerWaalsContact NE-OE2 3.08Å; R96-E99 IonicContact NH2-OE1 3.04Å; R96-E99 IonicContact NH2-OE2 2.81Å; R96-E99 PolarHBondContact NH2-OE2 3.02Å; R96-E99 WeakPolarHBondContact O-CB 3.33Å; R96-E99 PolarHBondContact O-N 2.9Å; R96-E99 VanDerWaalsContact O-N 3.1Å; R96-F100 PolarHBondContact O-N 3.26Å; R96-F100 VanDerWaalsContact O-N 3.16Å; R96-G118 VanDerWaalsContact NH2-CA 3.31Å; R96-Y121 HydrophobicContact CG-CD1 4.48Å; R96-T122 WeakPolarHBondContact CD-OG1 3.45Å; R96-P337 HydrophobicContact CG-CB 4.07Å
97V87.1Confident86.2Confident101 Ų10143.3 Ų43.361%0.61227%0.272SS*.Hα-helixtrans-60.9-38.8-177.9174.50000111.2D95 E99 F100 A101D95-V97 HydrophobicContact CB-CG2 4.27Å; D95-V97 VanDerWaalsContact OD1-CB 3.31Å; D95-V97 WeakPolarHBondContact OD1-CB 3.21Å; D95-V97 VanDerWaalsContact OD1-CG2 3.3Å; D95-V97 WeakPolarHBondContact OD1-CG2 3.4Å; D95-V97 PolarHBondContact OD1-N 2.73Å; V97-E99 VanDerWaalsContact C-N 3.26Å; V97-E99 PolarHBondContact O-N 2.73Å; V97-F100 WeakPolarHBondContact O-CB 3.42Å; V97-F100 PolarHBondContact O-N 2.97Å; V97-A101 PolarHBondContact O-N 3.24Å
98H80.9Confident84.9Confident64 Ų6447 Ų4730%0.29629%0.294SS..Hα-helixtrans-59.4-35.7176.665.2-79.4000112.6R96 M102 Y121R96-H98 VanDerWaalsContact C-N 3.26Å; R96-H98 PolarHBondContact O-N 2.79Å; H98-M102 PolarHBondContact O-N 2.84Å; H98-Y121 AromaticContact CE1-CD1 3.88Å; H98-Y121 AromaticContact CE1-CE1 3.57Å; H98-Y121 AromaticContact CE1-CE2 3.8Å; H98-Y121 AromaticContact CE1-CZ 3.49Å; H98-Y121 VanDerWaalsContact CE1-CZ 3.49Å
99E83.1Confident83.3Confident1 Ų154.6 Ų54.61%0.00532%0.324CS..Hα-helixtrans-73.2-37.1175.9-56.4-173.4-140.900113R96 V97 A101 M102 K103 V112 G117 G118R96-E99 HydrophobicContact CB-CB 4.4Å; R96-E99 HydrophobicContact CB-CG 4.31Å; R96-E99 WeakPolarHBondContact CG-OE1 3.43Å; R96-E99 IonicContact CZ-OE1 3.53Å; R96-E99 IonicContact CZ-OE2 3.17Å; R96-E99 VanDerWaalsContact CZ-OE2 3.24Å; R96-E99 IonicContact NE-OE1 2.75Å; R96-E99 PolarHBondContact NE-OE1 3.45Å; R96-E99 IonicContact NE-OE2 2.76Å; R96-E99 PolarHBondContact NE-OE2 3.13Å; R96-E99 VanDerWaalsContact NE-OE2 3.08Å; R96-E99 IonicContact NH2-OE1 3.04Å; R96-E99 IonicContact NH2-OE2 2.81Å; R96-E99 PolarHBondContact NH2-OE2 3.02Å; R96-E99 WeakPolarHBondContact O-CB 3.33Å; R96-E99 PolarHBondContact O-N 2.9Å; R96-E99 VanDerWaalsContact O-N 3.1Å; V97-E99 VanDerWaalsContact C-N 3.26Å; V97-E99 PolarHBondContact O-N 2.73Å; E99-A101 VanDerWaalsContact C-N 3.27Å; E99-A101 PolarHBondContact O-N 3.43Å; E99-M102 HydrophobicContact CG-CE 4.38Å; E99-M102 PolarHBondContact O-N 3.32Å; E99-K103 WeakPolarHBondContact O-CG 3.46Å; E99-K103 PolarHBondContact O-N 3.39Å; E99-V112 HydrophobicContact CB-CG1 4.08Å; E99-V112 HydrophobicContact CG-CG1 3.89Å; E99-V112 VanDerWaalsContact OE2-CG1 3.27Å; E99-V112 WeakPolarHBondContact OE2-CG1 3.49Å; E99-G117 VanDerWaalsContact OE1-CA 3.24Å; E99-G117 WeakPolarHBondContact OE1-CA 3.24Å; E99-G118 PolarHBondContact OE1-N 3.11Å; E99-G118 PolarHBondContact OE2-N 3.22Å; E99-G118 VanDerWaalsContact OE2-N 3.1Å
100F80.1Confident81.6Confident111 Ų11159.2 Ų59.249%0.48735%0.347SS..Hα-helixtrans-59.1-43176.1-173.5-112.1000110.9R96 V97 M102 K103 L104R96-F100 PolarHBondContact O-N 3.26Å; R96-F100 VanDerWaalsContact O-N 3.16Å; V97-F100 WeakPolarHBondContact O-CB 3.42Å; V97-F100 PolarHBondContact O-N 2.97Å; F100-M102 PolarHBondContact O-N 3.39Å; F100-K103 PolarHBondContact O-N 3.46Å; F100-L104 HydrophobicContact CD1-CD1 3.85Å; F100-L104 HydrophobicContact CE1-CD1 3.44Å; F100-L104 VanDerWaalsContact CE1-CD1 3.44Å; F100-L104 HydrophobicContact CE1-CG 4.24Å; F100-L104 HydrophobicContact CE2-CD1 4.45Å; F100-L104 HydrophobicContact CE2-CG 4.43Å; F100-L104 HydrophobicContact CZ-CD1 3.77Å; F100-L104 HydrophobicContact CZ-CD2 4.35Å; F100-L104 HydrophobicContact CZ-CG 4.19Å; F100-L104 WeakPolarHBondContact O-CB 3.39Å; F100-L104 VanDerWaalsContact O-CG 3.32Å; F100-L104 WeakPolarHBondContact O-CG 3.19Å; F100-L104 PolarHBondContact O-N 3.03Å
101A75.8Confident80.3Confident61 Ų6163.8 Ų63.850%0.50437%0.368SS..Hα-helixtrans-61.1-43.8174.300000112.6V97 E99 L104 A105V97-A101 PolarHBondContact O-N 3.24Å; E99-A101 VanDerWaalsContact C-N 3.27Å; E99-A101 PolarHBondContact O-N 3.43Å; A101-L104 PolarHBondContact O-N 3.29Å; A101-A105 PolarHBondContact O-N 3.44Å
102M75.1Confident78.9Confident51 Ų5164 Ų6425%0.25137%0.37SS..Hα-helixtrans-63.4-45.4177.2-73-171.3-94.700112.4H98 E99 F100 L104 A105 G106 A107 V112 A115H98-M102 PolarHBondContact O-N 2.84Å; E99-M102 HydrophobicContact CG-CE 4.38Å; E99-M102 PolarHBondContact O-N 3.32Å; F100-M102 PolarHBondContact O-N 3.39Å; M102-L104 VanDerWaalsContact C-N 3.35Å; M102-L104 PolarHBondContact O-N 3.07Å; M102-A105 CarbonylContact O-C 3.55Å; M102-A105 WeakPolarHBondContact O-CB 3.38Å; M102-A105 PolarHBondContact O-N 2.94Å; M102-A105 VanDerWaalsContact O-N 3.12Å; M102-G106 PolarHBondContact O-N 3.05Å; M102-A107 HydrophobicContact CB-CB 3.97Å; M102-A107 VanDerWaalsContact O-CB 3.22Å; M102-A107 WeakPolarHBondContact O-CB 3.38Å; M102-A107 PolarHBondContact O-N 3.39Å; M102-V112 HydrophobicContact CB-CG2 4.24Å; M102-A115 HydrophobicContact CE-CB 3.91Å; M102-A115 HydrophobicContact SD-CB 3.72Å
103K76.7Confident77.4Confident58 Ų5867.4 Ų67.425%0.25239%0.386SS..Hα-helixtrans-61.7-42.5177.7-72.5-180179.7-171.50111.6E99 F100 A105 G106 V112 N338E99-K103 WeakPolarHBondContact O-CG 3.46Å; E99-K103 PolarHBondContact O-N 3.39Å; F100-K103 PolarHBondContact O-N 3.46Å; K103-A105 PolarHBondContact O-N 2.96Å; K103-G106 PolarHBondContact O-N 3.05Å; K103-V112 HydrophobicContact CG-CG2 4.2Å; K103-N338 PolarHBondContact NZ-OD1 3.28Å
104L71.8Confident76Confident104 Ų10476 Ų7655%0.54541%0.414SS..Hα-helixtrans-64-30.3175.4-72.4179.7000112.8F100 A101 M102 G106F100-L104 HydrophobicContact CD1-CD1 3.85Å; F100-L104 HydrophobicContact CE1-CD1 3.44Å; F100-L104 VanDerWaalsContact CE1-CD1 3.44Å; F100-L104 HydrophobicContact CE1-CG 4.24Å; F100-L104 HydrophobicContact CE2-CD1 4.45Å; F100-L104 HydrophobicContact CE2-CG 4.43Å; F100-L104 HydrophobicContact CZ-CD1 3.77Å; F100-L104 HydrophobicContact CZ-CD2 4.35Å; F100-L104 HydrophobicContact CZ-CG 4.19Å; F100-L104 WeakPolarHBondContact O-CB 3.39Å; F100-L104 VanDerWaalsContact O-CG 3.32Å; F100-L104 WeakPolarHBondContact O-CG 3.19Å; F100-L104 PolarHBondContact O-N 3.03Å; A101-L104 PolarHBondContact O-N 3.29Å; M102-L104 VanDerWaalsContact C-N 3.35Å; M102-L104 PolarHBondContact O-N 3.07Å; L104-G106 PolarHBondContact O-N 2.93Å
105A70.3Confident74.8Confident89 Ų8977 Ų7774%0.73642%0.419SS*.THydrogen-bonded Turntrans-77.90.217300000113.7A101 M102 K103A101-A105 PolarHBondContact O-N 3.44Å; M102-A105 CarbonylContact O-C 3.55Å; M102-A105 WeakPolarHBondContact O-CB 3.38Å; M102-A105 PolarHBondContact O-N 2.94Å; M102-A105 VanDerWaalsContact O-N 3.12Å; K103-A105 PolarHBondContact O-N 2.96Å
106G73.6Confident73.6Confident61 Ų6174.8 Ų74.863%0.62942%0.416SS*.THydrogen-bonded Turntrans90.812.7176.900000115.1M102 K103 L104 T108M102-G106 PolarHBondContact O-N 3.05Å; K103-G106 PolarHBondContact O-N 3.05Å; L104-G106 PolarHBondContact O-N 2.93Å; G106-T108 PolarHBondContact O-N 3.25Å
107A70.4Confident72.9Confident30 Ų3073.5 Ų73.525%0.24841%0.412CS..  trans-61.8133.7177.100000111.4M102 E111 V112M102-A107 HydrophobicContact CB-CB 3.97Å; M102-A107 VanDerWaalsContact O-CB 3.22Å; M102-A107 WeakPolarHBondContact O-CB 3.38Å; M102-A107 PolarHBondContact O-N 3.39Å; A107-E111 HydrophobicContact CB-CB 4.29Å; A107-V112 HydrophobicContact CB-CG2 4Å
108T72.4Confident72.8Confident77 Ų7768.8 Ų68.847%0.47238%0.384SS..  trans-68159.4172.863.60000111.1G106 M110 E111 V112G106-T108 PolarHBondContact O-N 3.25Å; T108-M110 PolarHBondContact O-N 3.35Å; T108-E111 WeakPolarHBondContact CB-OE2 3.5Å; T108-E111 WeakPolarHBondContact CG2-OE2 3.36Å; T108-E111 PolarHBondContact N-OE2 3.26Å; T108-E111 PolarHBondContact O-N 3.39Å; T108-E111 VanDerWaalsContact OG1-CD 3.27Å; T108-E111 VanDerWaalsContact OG1-CG 3.29Å; T108-E111 WeakPolarHBondContact OG1-CG 3.4Å; T108-E111 PolarHBondContact OG1-N 3.04Å; T108-E111 PolarHBondContact OG1-OE2 3.4Å; T108-V112 PolarHBondContact O-N 3.06Å
109Y66Low73.3Confident161 Ų16167 Ų6763%0.63138%0.377SS*.Hα-helixtrans-51.8-42174.9179.9-96.3000112.5E111 V112 H113Y109-E111 PolarHBondContact O-N 2.97Å; Y109-V112 PolarHBondContact O-N 2.87Å; Y109-H113 WeakPolarHBondContact O-CB 3.27Å; Y109-H113 PolarHBondContact O-N 3.15Å
110M62.5Low73.7Confident98 Ų9868.4 Ų68.448%0.48338%0.383SS..Hα-helixtrans-67.9-34179.6-68.1-53.8-59.600113.1T108 R114T108-M110 PolarHBondContact O-N 3.35Å; M110-R114 WeakPolarHBondContact O-CB 3.47Å; M110-R114 VanDerWaalsContact O-CG 3.27Å; M110-R114 WeakPolarHBondContact O-CG 3.37Å; M110-R114 PolarHBondContact O-N 2.91Å
111E71.1Confident74.3Confident96 Ų9665.9 Ų65.945%0.44937%0.371SS..Hα-helixtrans-69.8-42.3175.5-73.1163.4144.700111.4A107 T108 Y109 H113 R114 A115A107-E111 HydrophobicContact CB-CB 4.29Å; T108-E111 WeakPolarHBondContact CB-OE2 3.5Å; T108-E111 WeakPolarHBondContact CG2-OE2 3.36Å; T108-E111 PolarHBondContact N-OE2 3.26Å; T108-E111 PolarHBondContact O-N 3.39Å; T108-E111 VanDerWaalsContact OG1-CD 3.27Å; T108-E111 VanDerWaalsContact OG1-CG 3.29Å; T108-E111 WeakPolarHBondContact OG1-CG 3.4Å; T108-E111 PolarHBondContact OG1-N 3.04Å; T108-E111 PolarHBondContact OG1-OE2 3.4Å; Y109-E111 PolarHBondContact O-N 2.97Å; E111-H113 VanDerWaalsContact C-N 3.32Å; E111-H113 PolarHBondContact O-N 3.34Å; E111-R114 PolarHBondContact O-N 3.02Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 2.78Å
112V68.2Low75.3Confident5 Ų563 Ų633%0.0335%0.347CS..Hα-helixtrans-60.4-43.4173.91760000110.8E99 M102 K103 A107 T108 Y109 A115 G117E99-V112 HydrophobicContact CB-CG1 4.08Å; E99-V112 HydrophobicContact CG-CG1 3.89Å; E99-V112 VanDerWaalsContact OE2-CG1 3.27Å; E99-V112 WeakPolarHBondContact OE2-CG1 3.49Å; M102-V112 HydrophobicContact CB-CG2 4.24Å; K103-V112 HydrophobicContact CG-CG2 4.2Å; A107-V112 HydrophobicContact CB-CG2 4Å; T108-V112 PolarHBondContact O-N 3.06Å; Y109-V112 PolarHBondContact O-N 2.87Å; V112-A115 PolarHBondContact O-N 2.87Å; V112-G117 WeakPolarHBondContact O-CA 3.23Å; V112-G117 PolarHBondContact O-N 2.91Å
113H67.7Low76.4Confident75 Ų7560.9 Ų60.935%0.34734%0.337SS..Hα-helixtrans-63.9-44.5176.7-173.872.4000112.4Y109 E111 A115 G116Y109-H113 WeakPolarHBondContact O-CB 3.27Å; Y109-H113 PolarHBondContact O-N 3.15Å; E111-H113 VanDerWaalsContact C-N 3.32Å; E111-H113 PolarHBondContact O-N 3.34Å; H113-A115 VanDerWaalsContact C-N 3.26Å; H113-A115 PolarHBondContact O-N 2.94Å; H113-G116 PolarHBondContact O-N 3.26Å
114R67.8Low77.3Confident198 Ų19862.5 Ų62.575%0.74735%0.345SS*.Hα-helixtrans-63.7-30.7176.2-74.7177.2-161.1169.56.4112.8M110 E111 G116M110-R114 WeakPolarHBondContact O-CB 3.47Å; M110-R114 VanDerWaalsContact O-CG 3.27Å; M110-R114 WeakPolarHBondContact O-CG 3.37Å; M110-R114 PolarHBondContact O-N 2.91Å; E111-R114 PolarHBondContact O-N 3.02Å; R114-G116 PolarHBondContact O-N 2.76Å
115A69.2Low78.6Confident61 Ų6160.7 Ų60.750%0.50433%0.334SS..THydrogen-bonded Turntrans-74.64.8174.300000113.4M102 E111 V112 H113M102-A115 HydrophobicContact CE-CB 3.91Å; M102-A115 HydrophobicContact SD-CB 3.72Å; E111-A115 WeakPolarHBondContact O-CB 3.48Å; E111-A115 PolarHBondContact O-N 2.78Å; V112-A115 PolarHBondContact O-N 2.87Å; H113-A115 VanDerWaalsContact C-N 3.26Å; H113-A115 PolarHBondContact O-N 2.94Å
116G66.2Low79.9Confident39 Ų3956.4 Ų56.440%0.40230%0.299SS..THydrogen-bonded Turntrans85.19179.400000114.2H113 R114 Y121H113-G116 PolarHBondContact O-N 3.26Å; R114-G116 PolarHBondContact O-N 2.76Å; G116-Y121 WeakPolarHBondContact O-CB 3.08Å; G116-Y121 VanDerWaalsContact O-CD2 3.27Å; G116-Y121 WeakPolarHBondContact O-CD2 3.14Å
117G74.9Confident81.1Confident2 Ų257.5 Ų57.52%0.02128%0.284CS..  trans-83.1-167.4174.700000113.6E99 V112E99-G117 VanDerWaalsContact OE1-CA 3.24Å; E99-G117 WeakPolarHBondContact OE1-CA 3.24Å; V112-G117 WeakPolarHBondContact O-CA 3.23Å; V112-G117 PolarHBondContact O-N 2.91Å
118G85.3Confident82.4Confident3 Ų360.3 Ų60.33%0.03131%0.307CS..SBendtrans95.1-175.5178.900000113.2R96 E99 H120 Y121R96-G118 VanDerWaalsContact NH2-CA 3.31Å; E99-G118 PolarHBondContact OE1-N 3.11Å; E99-G118 PolarHBondContact OE2-N 3.22Å; E99-G118 VanDerWaalsContact OE2-N 3.1Å; G118-H120 PolarHBondContact O-N 3.23Å; G118-Y121 WeakPolarHBondContact O-CB 3.14Å; G118-Y121 PolarHBondContact O-N 3Å; G118-Y121 VanDerWaalsContact O-N 3.12Å
119I90.3Very high83.7Confident27 Ų2757.4 Ų57.414%0.13829%0.291CS..Hα-helixtrans-54.9-37.9177.8-179.3153.6000112.4Y121 T122 V123 Y159 A193I119-Y121 VanDerWaalsContact C-N 3.27Å; I119-Y121 PolarHBondContact O-N 3.08Å; I119-T122 WeakPolarHBondContact O-CB 3.3Å; I119-T122 PolarHBondContact O-N 3.13Å; I119-T122 VanDerWaalsContact O-N 3.1Å; I119-V123 HydrophobicContact CG1-CG2 4.08Å; I119-V123 WeakPolarHBondContact O-CG2 3.46Å; I119-V123 PolarHBondContact O-N 3.33Å; I119-Y159 HydrophobicContact CD1-CD1 4.21Å; I119-Y159 HydrophobicContact CD1-CE1 3.9Å; I119-Y159 HydrophobicContact CG1-CD1 3.97Å; I119-Y159 HydrophobicContact CG1-CE1 3.82Å; I119-A193 HydrophobicContact CD1-CB 3.85Å; I119-A193 HydrophobicContact CG1-CB 4.38Å; I119-A193 HydrophobicContact CG2-CB 3.99Å
120H92.7Very high85.2Confident29 Ų2952 Ų5213%0.13428%0.279CS..Hα-helixtrans-64.8-28.7-179.1-69.1-59.7000113.9G118 V123 E124 V194G118-H120 PolarHBondContact O-N 3.23Å; H120-V123 PolarHBondContact O-N 2.76Å; H120-E124 WeakPolarHBondContact O-CG 3.34Å; H120-E124 PolarHBondContact O-N 2.96Å; H120-V194 PolarHBondContact CE1-O 2.76Å; H120-V194 PolarHBondContact NE2-O 3.46Å
121Y93.1Very high86.9Confident59 Ų5949.2 Ų49.223%0.23127%0.272CS..Hα-helixtrans-60.4-49.7171.9-176.1-91.1000110.4D95 R96 H98 G116 G118 I119 V123 E124 H125D95-Y121 WeakPolarHBondContact O-CE1 3.36Å; R96-Y121 HydrophobicContact CG-CD1 4.48Å; H98-Y121 AromaticContact CE1-CD1 3.88Å; H98-Y121 AromaticContact CE1-CE1 3.57Å; H98-Y121 AromaticContact CE1-CE2 3.8Å; H98-Y121 AromaticContact CE1-CZ 3.49Å; H98-Y121 VanDerWaalsContact CE1-CZ 3.49Å; G116-Y121 WeakPolarHBondContact O-CB 3.08Å; G116-Y121 VanDerWaalsContact O-CD2 3.27Å; G116-Y121 WeakPolarHBondContact O-CD2 3.14Å; G118-Y121 WeakPolarHBondContact O-CB 3.14Å; G118-Y121 PolarHBondContact O-N 3Å; G118-Y121 VanDerWaalsContact O-N 3.12Å; I119-Y121 VanDerWaalsContact C-N 3.27Å; I119-Y121 PolarHBondContact O-N 3.08Å; Y121-V123 VanDerWaalsContact C-N 3.32Å; Y121-V123 PolarHBondContact O-N 2.88Å; Y121-E124 PolarHBondContact O-N 2.92Å; Y121-H125 AromaticContact CD1-CE1 3.91Å; Y121-H125 AromaticContact CD1-ND1 3.78Å; Y121-H125 AromaticContact CD2-CE1 3.84Å; Y121-H125 AromaticContact CE1-CE1 3.41Å; Y121-H125 VanDerWaalsContact CE1-CE1 3.41Å; Y121-H125 WeakPolarHBondContact CE1-CE1 3.49Å; Y121-H125 AromaticContact CE1-ND1 3.63Å; Y121-H125 AromaticContact CE1-NE2 3.97Å; Y121-H125 AromaticContact CE2-CE1 3.37Å; Y121-H125 WeakPolarHBondContact CE2-CE1 3.35Å; Y121-H125 AromaticContact CZ-CE1 3.13Å; Y121-H125 AromaticContact CZ-ND1 3.84Å; Y121-H125 AromaticContact CZ-NE2 3.64Å; Y121-H125 PolarHBondContact O-N 3.33Å; Y121-H125 PolarHBondContact O-ND1 3.15Å; Y121-H125 PolarHBondContact OH-CE1 2.85Å; Y121-H125 PolarHBondContact OH-NE2 2.79Å
122T96.1Very high88.2Confident1 Ų148 Ų481%0.00627%0.274CS..Hα-helixtrans-63.2-38.2176.2-57.10000112.1W92 R96 I119 H125 T126 Y159 P337W92-T122 HydrophobicContact CB-CG2 3.69Å; W92-T122 HydrophobicContact CG-CG2 4.24Å; R96-T122 WeakPolarHBondContact CD-OG1 3.45Å; I119-T122 WeakPolarHBondContact O-CB 3.3Å; I119-T122 PolarHBondContact O-N 3.13Å; I119-T122 VanDerWaalsContact O-N 3.1Å; T122-H125 PolarHBondContact O-N 2.8Å; T122-T126 VanDerWaalsContact O-CB 3.25Å; T122-T126 WeakPolarHBondContact O-CB 3.31Å; T122-T126 PolarHBondContact O-N 2.87Å; T122-T126 PolarHBondContact O-OG1 2.86Å; T122-Y159 HydrophobicContact CG2-CD1 3.62Å; T122-Y159 HydrophobicContact CG2-CD2 3.79Å; T122-Y159 HydrophobicContact CG2-CE1 3.92Å; T122-Y159 HydrophobicContact CG2-CE2 4.04Å; T122-Y159 HydrophobicContact CG2-CG 3.58Å; T122-P337 HydrophobicContact CG2-CG 3.76Å
123V97.4Very high89.7Confident5 Ų552.1 Ų52.13%0.0330%0.296CS..Hα-helixtrans-61.1-48.5177.3171.30000111I119 H120 Y121 H125 T126 R127 Y159 L161I119-V123 HydrophobicContact CG1-CG2 4.08Å; I119-V123 WeakPolarHBondContact O-CG2 3.46Å; I119-V123 PolarHBondContact O-N 3.33Å; H120-V123 PolarHBondContact O-N 2.76Å; Y121-V123 VanDerWaalsContact C-N 3.32Å; Y121-V123 PolarHBondContact O-N 2.88Å; V123-H125 VanDerWaalsContact C-N 3.35Å; V123-H125 PolarHBondContact O-N 3.15Å; V123-T126 PolarHBondContact O-N 3.46Å; V123-R127 HydrophobicContact CG1-CG 4.25Å; V123-R127 VanDerWaalsContact CG1-NE 3.26Å; V123-R127 WeakPolarHBondContact O-CB 3.34Å; V123-R127 VanDerWaalsContact O-CG 3.24Å; V123-R127 WeakPolarHBondContact O-CG 3.26Å; V123-R127 PolarHBondContact O-N 3.44Å; V123-Y159 WeakPolarHBondContact CA-O 3.47Å; V123-Y159 HydrophobicContact CG2-CD1 4.35Å; V123-L161 HydrophobicContact CG1-CD1 4.33Å; V123-L161 HydrophobicContact CG1-CG 4.35Å; V123-L161 HydrophobicContact CG2-CD1 3.69Å; V123-L161 HydrophobicContact CG2-CG 3.86Å
124E96.9Very high91.2Very high92 Ų9248.5 Ų48.543%0.4328%0.279SS..Hα-helixtrans-59.5-45179.6-74.2169.3-170.500111.9H120 Y121 A128 K196H120-E124 WeakPolarHBondContact O-CG 3.34Å; H120-E124 PolarHBondContact O-N 2.96Å; Y121-E124 PolarHBondContact O-N 2.92Å; E124-A128 WeakPolarHBondContact O-CB 3.33Å; E124-A128 PolarHBondContact O-N 3.15Å; E124-A128 VanDerWaalsContact O-N 3.11Å; E124-K196 IonicContact OE1-NZ 3.66Å; E124-K196 PolarHBondContact OE1-NZ 3.22Å
125H97.8Very high92.6Very high66 Ų6640.4 Ų40.431%0.30625%0.251SS..Hα-helixtrans-66.5-40.3177.7-7174.2000112.1A93 Y121 T122 V123 A128 A129A93-H125 HydrophobicContact CB-CB 4.25Å; A93-H125 WeakPolarHBondContact CB-O 3.41Å; A93-H125 WeakPolarHBondContact O-CB 3.44Å; Y121-H125 AromaticContact CD1-CE1 3.91Å; Y121-H125 AromaticContact CD1-ND1 3.78Å; Y121-H125 AromaticContact CD2-CE1 3.84Å; Y121-H125 AromaticContact CE1-CE1 3.41Å; Y121-H125 VanDerWaalsContact CE1-CE1 3.41Å; Y121-H125 WeakPolarHBondContact CE1-CE1 3.49Å; Y121-H125 AromaticContact CE1-ND1 3.63Å; Y121-H125 AromaticContact CE1-NE2 3.97Å; Y121-H125 AromaticContact CE2-CE1 3.37Å; Y121-H125 WeakPolarHBondContact CE2-CE1 3.35Å; Y121-H125 AromaticContact CZ-CE1 3.13Å; Y121-H125 AromaticContact CZ-ND1 3.84Å; Y121-H125 AromaticContact CZ-NE2 3.64Å; Y121-H125 PolarHBondContact O-N 3.33Å; Y121-H125 PolarHBondContact O-ND1 3.15Å; Y121-H125 PolarHBondContact OH-CE1 2.85Å; Y121-H125 PolarHBondContact OH-NE2 2.79Å; T122-H125 PolarHBondContact O-N 2.8Å; V123-H125 VanDerWaalsContact C-N 3.35Å; V123-H125 PolarHBondContact O-N 3.15Å; H125-A128 PolarHBondContact O-N 3.25Å; H125-A129 WeakPolarHBondContact O-CB 3.48Å; H125-A129 PolarHBondContact O-N 3.04Å
126T98.5Very high94Very high0 Ų041.7 Ų41.70%025%0.252CS..Hα-helixtrans-71-35.4-179.2-57.10000111.9W92 A93 T122 V123 L134 T165 K168 M169W92-T126 WeakPolarHBondContact CA-OG1 3.31Å; A93-T126 PolarHBondContact N-OG1 2.87Å; A93-T126 VanDerWaalsContact N-OG1 3.1Å; T122-T126 VanDerWaalsContact O-CB 3.25Å; T122-T126 WeakPolarHBondContact O-CB 3.31Å; T122-T126 PolarHBondContact O-N 2.87Å; T122-T126 PolarHBondContact O-OG1 2.86Å; V123-T126 PolarHBondContact O-N 3.46Å; T126-L134 HydrophobicContact CG2-CD1 4.26Å; T126-L134 HydrophobicContact CG2-CD2 4.21Å; T126-T165 HydrophobicContact CG2-CG2 4.32Å; T126-K168 PolarHBondContact O-NZ 3.21Å; T126-M169 HydrophobicContact CG2-CE 4.34Å; T126-M169 HydrophobicContact CG2-CG 4.22Å; T126-M169 HydrophobicContact CG2-SD 3.97Å
127R98.3Very high95.6Very high83 Ų8342 Ų4231%0.31325%0.248SC..Hα-helixtrans-61.5-47.4170.8-73.4177.3-178.8-147-4.9111.4V123 A129 G160 L161 E162 T165 K168V123-R127 HydrophobicContact CG1-CG 4.25Å; V123-R127 VanDerWaalsContact CG1-NE 3.26Å; V123-R127 WeakPolarHBondContact O-CB 3.34Å; V123-R127 VanDerWaalsContact O-CG 3.24Å; V123-R127 WeakPolarHBondContact O-CG 3.26Å; V123-R127 PolarHBondContact O-N 3.44Å; R127-A129 PolarHBondContact O-N 3.33Å; R127-G160 PolarHBondContact NE-O 3.2Å; R127-G160 PolarHBondContact NH2-O 3.23Å; R127-L161 PolarHBondContact NH2-O 2.75Å; R127-E162 IonicContact CZ-OE1 3.95Å; R127-E162 IonicContact CZ-OE2 3.74Å; R127-E162 IonicContact NE-OE1 2.79Å; R127-E162 IonicContact NE-OE2 3Å; R127-E162 IonicContact NH1-OE1 2.95Å; R127-E162 IonicContact NH1-OE2 2.76Å; R127-E162 PolarHBondContact NH1-OE2 3.49Å; R127-E162 IonicContact NH2-OE2 3.88Å; R127-E162 PolarHBondContact NH2-OE2 3Å; R127-T165 HydrophobicContact CG-CG2 3.91Å; R127-K168 PolarHBondContact O-NZ 2.98Å
128A98.4Very high96.7Very high90 Ų9041.9 Ų41.974%0.74425%0.247SC*.Hα-helixtrans-69.7-27.7-178.700000114.1E124 H125E124-A128 WeakPolarHBondContact O-CB 3.33Å; E124-A128 PolarHBondContact O-N 3.15Å; E124-A128 VanDerWaalsContact O-N 3.11Å; H125-A128 PolarHBondContact O-N 3.25Å
129A98.6Very high97.3Very high16 Ų1646 Ų4613%0.13226%0.262CS..SBendtrans-70143.4-177.700000113.3A93 H125 R127 L134 K168A93-A129 HydrophobicContact CB-CB 3.52Å; H125-A129 WeakPolarHBondContact O-CB 3.48Å; H125-A129 PolarHBondContact O-N 3.04Å; R127-A129 PolarHBondContact O-N 3.33Å; A129-L134 HydrophobicContact CB-CD2 4.06Å; A129-L134 HydrophobicContact CB-CG 4.11Å; A129-K168 PolarHBondContact O-NZ 3.45Å
130A98.5Very high97.7Very high46 Ų4647.4 Ų47.438%0.3827%0.274SS..  trans-71150.9170.300000111S132 D133 L134A130-S132 PolarHBondContact O-N 2.79Å; A130-D133 PolarHBondContact O-N 3.48Å; A130-D133 VanDerWaalsContact O-N 3.1Å; A130-L134 PolarHBondContact O-N 3.48Å
131A98.6Very high98Very high41 Ų4146.9 Ų46.934%0.33927%0.271SS..Hα-helixtrans-58-35.4177.400000112.4D133 L134 L135 K168 V172A131-D133 VanDerWaalsContact C-N 3.32Å; A131-D133 PolarHBondContact O-N 3.04Å; A131-L134 PolarHBondContact O-N 2.69Å; A131-L135 WeakPolarHBondContact O-CB 3.13Å; A131-L135 PolarHBondContact O-N 3.14Å; A131-K168 HydrophobicContact CB-CD 4.35Å; A131-K168 HydrophobicContact CB-CG 3.97Å; A131-V172 HydrophobicContact CB-CG2 4.02Å; A131-V172 WeakPolarHBondContact O-CG2 3.46Å
132S98.6Very high98.2Very high70 Ų7044.2 Ų44.249%0.4926%0.26SS..Hα-helixtrans-61.7-37176.251.90000113.3A130 T136A130-S132 PolarHBondContact O-N 2.79Å; S132-T136 WeakPolarHBondContact O-CB 3.14Å; S132-T136 PolarHBondContact O-N 3.32Å; S132-T136 PolarHBondContact O-OG1 2.94Å
133D98.6Very high98.2Very high91 Ų9148.5 Ų48.549%0.48728%0.28SS..Hα-helixtrans-74.9-39.5-179-57.3-23.6000110.4A130 A131 T136 S137A130-D133 PolarHBondContact O-N 3.48Å; A130-D133 VanDerWaalsContact O-N 3.1Å; A131-D133 VanDerWaalsContact C-N 3.32Å; A131-D133 PolarHBondContact O-N 3.04Å; D133-T136 PolarHBondContact O-N 3.32Å; D133-S137 WeakPolarHBondContact O-CB 3.25Å; D133-S137 PolarHBondContact O-N 3.22Å; D133-S137 PolarHBondContact O-OG 2.87Å
134L98.9Very high98.2Very high0 Ų051.5 Ų51.50%029%0.291CS..Hα-helixtrans-61.7-45.3172.3-66.8177.6000111.2V91 A93 T126 A129 A130 A131 S137 L138 K168 V172V91-L134 HydrophobicContact CG1-CB 4.24Å; V91-L134 HydrophobicContact CG1-CD1 4.36Å; V91-L134 HydrophobicContact CG1-CD2 4.4Å; A93-L134 HydrophobicContact CB-CD2 3.95Å; T126-L134 HydrophobicContact CG2-CD1 4.26Å; T126-L134 HydrophobicContact CG2-CD2 4.21Å; A129-L134 HydrophobicContact CB-CD2 4.06Å; A129-L134 HydrophobicContact CB-CG 4.11Å; A130-L134 PolarHBondContact O-N 3.48Å; A131-L134 PolarHBondContact O-N 2.69Å; L134-S137 PolarHBondContact O-N 2.85Å; L134-L138 VanDerWaalsContact O-CB 3.28Å; L134-L138 WeakPolarHBondContact O-CB 3.2Å; L134-L138 PolarHBondContact O-N 2.95Å; L134-K168 HydrophobicContact CD1-CD 4.36Å; L134-K168 HydrophobicContact CD1-CG 4.46Å; L134-V172 HydrophobicContact CB-CG1 4.22Å; L134-V172 HydrophobicContact CB-CG2 4.04Å
135L98.8Very high98.2Very high28 Ų2847.1 Ų47.115%0.14727%0.27CS..Hα-helixtrans-63-42.7176.5179.262.3000112.1A131 S137 L138 R139 V172 E175 A176A131-L135 WeakPolarHBondContact O-CB 3.13Å; A131-L135 PolarHBondContact O-N 3.14Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 2.87Å; L135-L138 PolarHBondContact O-N 3.17Å; L135-R139 WeakPolarHBondContact O-CB 3.35Å; L135-R139 PolarHBondContact O-N 3.25Å; L135-V172 HydrophobicContact CB-CG1 4.09Å; L135-V172 HydrophobicContact CD1-CG1 4.33Å; L135-E175 HydrophobicContact CD1-CB 4.37Å; L135-E175 HydrophobicContact CD1-CG 4.14Å; L135-E175 HydrophobicContact CD2-CB 4.45Å; L135-E175 HydrophobicContact CD2-CG 3.57Å; L135-A176 HydrophobicContact CD1-CB 4.03Å
136T98.7Very high98.2Very high88 Ų8844.9 Ų44.954%0.5426%0.26SS..Hα-helixtrans-61.4-45.2177.4-61.70000111S132 D133 R139 S140S132-T136 WeakPolarHBondContact O-CB 3.14Å; S132-T136 PolarHBondContact O-N 3.32Å; S132-T136 PolarHBondContact O-OG1 2.94Å; D133-T136 PolarHBondContact O-N 3.32Å; T136-R139 PolarHBondContact O-N 2.64Å; T136-S140 PolarHBondContact O-N 3.27Å; T136-S140 VanDerWaalsContact O-N 3.17Å
137S98.4Very high98Very high44 Ų4450 Ų5031%0.30828%0.28SS..Hα-helixtrans-66.8-44177.9-60.40000112.1D133 L134 L135 R139 S140 R141D133-S137 WeakPolarHBondContact O-CB 3.25Å; D133-S137 PolarHBondContact O-N 3.22Å; D133-S137 PolarHBondContact O-OG 2.87Å; L134-S137 PolarHBondContact O-N 2.85Å; L135-S137 VanDerWaalsContact C-N 3.34Å; L135-S137 PolarHBondContact O-N 2.87Å; S137-R139 PolarHBondContact O-N 2.77Å; S137-S140 PolarHBondContact O-N 3.24Å; S137-R141 VanDerWaalsContact O-CG 3.28Å; S137-R141 WeakPolarHBondContact O-CG 3.43Å; S137-R141 PolarHBondContact O-N 2.95Å
138L98.6Very high97.9Very high0 Ų046.6 Ų46.60%027%0.269CS..Hα-helixtrans-58.2-47.9175.3176.361.6000110.7P90 V91 L134 L135 S140 R141 L142 V172 A176P90-L138 HydrophobicContact CB-CD1 3.67Å; P90-L138 HydrophobicContact CG-CD1 3.8Å; V91-L138 HydrophobicContact CG2-CD1 4.04Å; V91-L138 HydrophobicContact CG2-CD2 3.86Å; V91-L138 HydrophobicContact CG2-CG 4.37Å; L134-L138 VanDerWaalsContact O-CB 3.28Å; L134-L138 WeakPolarHBondContact O-CB 3.2Å; L134-L138 PolarHBondContact O-N 2.95Å; L135-L138 PolarHBondContact O-N 3.17Å; L138-S140 VanDerWaalsContact C-N 3.33Å; L138-S140 PolarHBondContact O-N 3.49Å; L138-R141 WeakPolarHBondContact O-CB 3.4Å; L138-R141 PolarHBondContact O-N 3.24Å; L138-R141 VanDerWaalsContact O-N 3.13Å; L138-L142 HydrophobicContact CD1-CD1 3.84Å; L138-L142 HydrophobicContact CD1-CD2 4.12Å; L138-L142 HydrophobicContact CD1-CG 3.78Å; L138-L142 HydrophobicContact CD2-CD1 4.35Å; L138-L142 HydrophobicContact CG-CD1 3.77Å; L138-L142 HydrophobicContact CG-CG 4.13Å; L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.36Å; L138-L142 PolarHBondContact O-N 2.89Å; L138-V172 HydrophobicContact CB-CG1 4.46Å; L138-V172 HydrophobicContact CD2-CG1 3.83Å; L138-A176 HydrophobicContact CD2-CB 3.5Å; L138-A176 VanDerWaalsContact CD2-CB 3.5Å; L138-A176 HydrophobicContact CG-CB 4.3Å
139R98.6Very high97.9Very high91 Ų9142.3 Ų42.334%0.34323%0.234SC..Hα-helixtrans-55.2-47.6177.2-179.6179.6-61154.40.5112L135 T136 S137 R141 L142 Q143 L180L135-R139 WeakPolarHBondContact O-CB 3.35Å; L135-R139 PolarHBondContact O-N 3.25Å; T136-R139 PolarHBondContact O-N 2.64Å; S137-R139 PolarHBondContact O-N 2.77Å; R139-R141 VanDerWaalsContact C-N 3.35Å; R139-R141 PolarHBondContact O-N 3.4Å; R139-L142 PolarHBondContact O-N 3.19Å; R139-Q143 WeakPolarHBondContact O-CB 2.95Å; R139-Q143 VanDerWaalsContact O-CG 3.27Å; R139-Q143 WeakPolarHBondContact O-CG 3.37Å; R139-Q143 PolarHBondContact O-N 2.91Å; R139-L180 HydrophobicContact CB-CD1 4.28Å; R139-L180 HydrophobicContact CG-CD1 4.17Å; R139-L180 HydrophobicContact CG-CD2 3.89Å
140S97.9Very high97.9Very high56 Ų5641.6 Ų41.639%0.39223%0.228SC..Hα-helixtrans-62.2-40.5177.8177.10000112.5T136 S137 L138 R144T136-S140 PolarHBondContact O-N 3.27Å; T136-S140 VanDerWaalsContact O-N 3.17Å; S137-S140 PolarHBondContact O-N 3.24Å; L138-S140 VanDerWaalsContact C-N 3.33Å; L138-S140 PolarHBondContact O-N 3.49Å; S140-R144 PolarHBondContact O-N 3.07Å
141R98.1Very high97.9Very high18 Ų1839.4 Ų39.47%0.06821%0.21CC..Hα-helixtrans-62.6-51.9174.8-73166.1-170.8152.25.3111.8P90 W92 S137 L138 R139 Q143 R144 M145 F335P90-R141 WeakPolarHBondContact O-CD 3.32Å; P90-R141 PolarHBondContact O-NH1 3.33Å; W92-R141 VanDerWaalsContact CE3-NH1 3.33Å; W92-R141 VanDerWaalsContact CH2-NE 3.32Å; W92-R141 PolarHBondContact O-NH1 2.72Å; W92-R141 PolarHBondContact O-NH2 3.3Å; S137-R141 VanDerWaalsContact O-CG 3.28Å; S137-R141 WeakPolarHBondContact O-CG 3.43Å; S137-R141 PolarHBondContact O-N 2.95Å; L138-R141 WeakPolarHBondContact O-CB 3.4Å; L138-R141 PolarHBondContact O-N 3.24Å; L138-R141 VanDerWaalsContact O-N 3.13Å; R139-R141 VanDerWaalsContact C-N 3.35Å; R139-R141 PolarHBondContact O-N 3.4Å; R141-Q143 VanDerWaalsContact C-N 3.3Å; R141-Q143 PolarHBondContact O-N 3.37Å; R141-R144 WeakPolarHBondContact O-CB 3.46Å; R141-R144 PolarHBondContact O-N 2.94Å; R141-M145 WeakPolarHBondContact O-CG 3.46Å; R141-M145 PolarHBondContact O-N 2.88Å; R141-F335 HydrophobicContact CB-CE1 3.88Å; R141-F335 HydrophobicContact CG-CE1 3.75Å; R141-F335 HydrophobicContact CG-CZ 4.13Å
142L98.1Very high97.9Very high3 Ų337.5 Ų37.52%0.01619%0.194CC..Hα-helixtrans-60.6-38.5179-64.6176.7000111.8L138 R139 R144 M145 Q146 V153 A176 L180 M182 I184L138-L142 HydrophobicContact CD1-CD1 3.84Å; L138-L142 HydrophobicContact CD1-CD2 4.12Å; L138-L142 HydrophobicContact CD1-CG 3.78Å; L138-L142 HydrophobicContact CD2-CD1 4.35Å; L138-L142 HydrophobicContact CG-CD1 3.77Å; L138-L142 HydrophobicContact CG-CG 4.13Å; L138-L142 VanDerWaalsContact O-CG 3.29Å; L138-L142 WeakPolarHBondContact O-CG 3.36Å; L138-L142 PolarHBondContact O-N 2.89Å; R139-L142 PolarHBondContact O-N 3.19Å; L142-R144 VanDerWaalsContact C-N 3.29Å; L142-R144 PolarHBondContact O-N 3.5Å; L142-M145 HydrophobicContact CD2-SD 4.19Å; L142-M145 PolarHBondContact O-N 2.76Å; L142-Q146 WeakPolarHBondContact O-CB 3.17Å; L142-Q146 PolarHBondContact O-N 2.92Å; L142-V153 HydrophobicContact CD2-CG1 3.79Å; L142-A176 HydrophobicContact CD1-CB 4.29Å; L142-L180 HydrophobicContact CB-CD1 4.45Å; L142-L180 HydrophobicContact CD1-CD1 3.66Å; L142-M182 HydrophobicContact CB-CE 4.31Å; L142-M182 HydrophobicContact CB-SD 3.99Å; L142-M182 HydrophobicContact CD2-SD 3.65Å; L142-M182 HydrophobicContact CG-SD 4.3Å; L142-M182 WeakPolarHBondContact O-CE 3.24Å; L142-I184 HydrophobicContact CD1-CD1 3.95Å
143Q96.6Very high97.9Very high90 Ų9034.1 Ų34.142%0.42117%0.17SC..Hα-helixtrans-63.8-30.8174-75.5173.9-2000113.4R139 R141 R147R139-Q143 WeakPolarHBondContact O-CB 2.95Å; R139-Q143 VanDerWaalsContact O-CG 3.27Å; R139-Q143 WeakPolarHBondContact O-CG 3.37Å; R139-Q143 PolarHBondContact O-N 2.91Å; R141-Q143 VanDerWaalsContact C-N 3.3Å; R141-Q143 PolarHBondContact O-N 3.37Å; Q143-R147 VanDerWaalsContact O-CG 3.31Å; Q143-R147 WeakPolarHBondContact O-CG 3.49Å; Q143-R147 PolarHBondContact O-N 3.26Å; Q143-R147 PolarHBondContact O-NE 3.21Å; Q143-R147 VanDerWaalsContact O-NE 3.13Å
144R96.6Very high97.9Very high68 Ų6829.8 Ų29.826%0.25715%0.147SC..Hα-helixtrans-73.6-43.5173.4-72.5-178.8-68.1167.83.5111.4S140 R141 L142 Q146 R147 A148 Y340S140-R144 PolarHBondContact O-N 3.07Å; R141-R144 WeakPolarHBondContact O-CB 3.46Å; R141-R144 PolarHBondContact O-N 2.94Å; L142-R144 VanDerWaalsContact C-N 3.29Å; L142-R144 PolarHBondContact O-N 3.5Å; R144-Q146 VanDerWaalsContact C-N 3.28Å; R144-Q146 PolarHBondContact O-N 3.49Å; R144-R147 PolarHBondContact O-N 2.72Å; R144-A148 PolarHBondContact O-N 3.3Å; R144-A148 VanDerWaalsContact O-N 3.07Å; R144-Y340 PolarHBondContact NH1-OH 3.44Å; R144-Y340 PolarHBondContact NH2-OH 3.26Å
145M97.8Very high97.9Very high0 Ų029.8 Ų29.80%015%0.147CC..Hα-helixtrans-59.2-41.8174-63176.476.500111.5D85 T88 R141 L142 R147 A148 G149 T150 V153 F335 C342D85-M145 HydrophobicContact CB-CE 4.03Å; D85-M145 WeakPolarHBondContact OD2-CE 3.34Å; T88-M145 HydrophobicContact CG2-CE 3.8Å; R141-M145 WeakPolarHBondContact O-CG 3.46Å; R141-M145 PolarHBondContact O-N 2.88Å; L142-M145 HydrophobicContact CD2-SD 4.19Å; L142-M145 PolarHBondContact O-N 2.76Å; M145-R147 PolarHBondContact O-N 3.08Å; M145-A148 CarbonylContact O-C 3.25Å; M145-A148 WeakPolarHBondContact O-CA 3.44Å; M145-A148 PolarHBondContact O-N 3.31Å; M145-A148 VanDerWaalsContact O-N 3.07Å; M145-G149 PolarHBondContact O-N 3.12Å; M145-G149 VanDerWaalsContact O-N 3.15Å; M145-T150 HydrophobicContact CE-CG2 4.39Å; M145-T150 WeakPolarHBondContact O-CB 3.36Å; M145-T150 PolarHBondContact O-N 3.25Å; M145-V153 HydrophobicContact CE-CB 4.27Å; M145-V153 HydrophobicContact CE-CG2 3.51Å; M145-V153 HydrophobicContact SD-CG2 4.24Å; M145-F335 HydrophobicContact SD-CD1 4.23Å; M145-C342 HydrophobicContact CG-CB 3.71Å
146Q96.6Very high97.9Very high19 Ų1928.5 Ų28.59%0.08914%0.14CC..Hα-helixtrans-59.4-46.9176.4-163.3-173.4-76.400111.6L142 R144 A148 G149 T150 M182 V416 I418 V423L142-Q146 WeakPolarHBondContact O-CB 3.17Å; L142-Q146 PolarHBondContact O-N 2.92Å; R144-Q146 VanDerWaalsContact C-N 3.28Å; R144-Q146 PolarHBondContact O-N 3.49Å; Q146-A148 PolarHBondContact O-N 3.48Å; Q146-G149 WeakPolarHBondContact O-CA 3.37Å; Q146-G149 PolarHBondContact O-N 2.91Å; Q146-T150 WeakPolarHBondContact CA-O 3.32Å; Q146-M182 HydrophobicContact CB-CE 3.51Å; Q146-M182 HydrophobicContact CG-CE 4.03Å; Q146-V416 HydrophobicContact CG-CG1 4.01Å; Q146-V416 WeakPolarHBondContact O-CG2 3.41Å; Q146-I418 HydrophobicContact CG-CD1 4.44Å; Q146-V423 VanDerWaalsContact CD-CG2 3.46Å; Q146-V423 HydrophobicContact CG-CG2 4.01Å; Q146-V423 VanDerWaalsContact NE2-CB 3.27Å; Q146-V423 PolarHBondContact NE2-O 3.13Å
147R95.4Very high97.9Very high108 Ų10824.3 Ų24.341%0.40812%0.115SC..Hα-helixtrans-61.2-28.8175.9-75.2-177.9-83.9175.7-8.3112.8Q143 R144 M145 G149 Y424Q143-R147 VanDerWaalsContact O-CG 3.31Å; Q143-R147 WeakPolarHBondContact O-CG 3.49Å; Q143-R147 PolarHBondContact O-N 3.26Å; Q143-R147 PolarHBondContact O-NE 3.21Å; Q143-R147 VanDerWaalsContact O-NE 3.13Å; R144-R147 PolarHBondContact O-N 2.72Å; M145-R147 PolarHBondContact O-N 3.08Å; R147-G149 VanDerWaalsContact C-N 3.27Å; R147-Y424 HydrophobicContact CB-CE2 4.43Å; R147-Y424 HydrophobicContact CG-CD1 4.49Å; R147-Y424 HydrophobicContact CG-CD2 3.61Å; R147-Y424 HydrophobicContact CG-CE2 3.62Å; R147-Y424 HydrophobicContact CG-CG 4.05Å
148A96.3Very high97.9Very high12 Ų1222.2 Ų22.210%0.09910%0.1CC..THydrogen-bonded Turntrans-85.55.5173.200000113.8R144 M145 Q146 P345 I413R144-A148 PolarHBondContact O-N 3.3Å; R144-A148 VanDerWaalsContact O-N 3.07Å; M145-A148 CarbonylContact O-C 3.25Å; M145-A148 WeakPolarHBondContact O-CA 3.44Å; M145-A148 PolarHBondContact O-N 3.31Å; M145-A148 VanDerWaalsContact O-N 3.07Å; Q146-A148 PolarHBondContact O-N 3.48Å; A148-P345 WeakPolarHBondContact O-CD 3.23Å; A148-P345 WeakPolarHBondContact O-CG 3.23Å; A148-I413 VanDerWaalsContact C-CD1 3.5Å; A148-I413 WeakPolarHBondContact O-CD1 3.4Å
149G97.1Very high97.9Very high0 Ų022.5 Ų22.50%010%0.101CC..THydrogen-bonded Turntrans102.2-0.3170.900000116.3L83 M145 Q146 R147 T151 L392L83-G149 WeakPolarHBondContact CB-O 3.29Å; L83-G149 PolarHBondContact N-O 2.91Å; M145-G149 PolarHBondContact O-N 3.12Å; M145-G149 VanDerWaalsContact O-N 3.15Å; Q146-G149 WeakPolarHBondContact O-CA 3.37Å; Q146-G149 PolarHBondContact O-N 2.91Å; R147-G149 VanDerWaalsContact C-N 3.27Å; G149-T151 PolarHBondContact O-N 3.39Å; G149-L392 VanDerWaalsContact CA-CD2 3.46Å; G149-L392 WeakPolarHBondContact O-CD2 3.38Å
150T98.6Very high97.9Very high0 Ų018.1 Ų18.10%09%0.085CC..EExtended strand (participates in β ladder)trans-75.1127.2179.5-56.20000111.2L83 D85 M145 Q146 L152 V153 M182L83-T150 WeakPolarHBondContact O-CA 3.02Å; D85-T150 HydrophobicContact CB-CG2 3.83Å; M145-T150 HydrophobicContact CE-CG2 4.39Å; M145-T150 WeakPolarHBondContact O-CB 3.36Å; M145-T150 PolarHBondContact O-N 3.25Å; Q146-T150 WeakPolarHBondContact CA-O 3.32Å; T150-L152 VanDerWaalsContact CG2-O 3.23Å; T150-L152 WeakPolarHBondContact CG2-O 3.47Å; T150-V153 HydrophobicContact CG2-CB 4.06Å; T150-M182 WeakPolarHBondContact O-CE 3.17Å
151T98.8Very high97.9Very high1 Ų115.6 Ų15.61%0.0067%0.066CC..EExtended strand (participates in β ladder)trans-116.7-20.3175.263.60000113.4G82 L83 G149 S183 D390 V416 I418G82-T151 WeakPolarHBondContact CA-OG1 3.36Å; L83-T151 PolarHBondContact O-N 2.99Å; G149-T151 PolarHBondContact O-N 3.39Å; T151-S183 WeakPolarHBondContact O-CB 3.04Å; T151-S183 PolarHBondContact O-N 3.02Å; T151-D390 HydrophobicContact CG2-CB 4.28Å; T151-V416 HydrophobicContact CG2-CG1 3.95Å; T151-I418 HydrophobicContact CG2-CD1 4.31Å; T151-I418 HydrophobicContact CG2-CG1 3.84Å
152L98.9Very high97.9Very high0 Ų017.5 Ų17.50%08%0.076CC..EExtended strand (participates in β ladder)trans-127.6129.4169172.164.8000109.2L83 V84 D85 T150 S183 L374 R376 H380L83-L152 PolarHBondContact O-N 3.44Å; V84-L152 WeakPolarHBondContact CA-O 3.39Å; V84-L152 HydrophobicContact CG1-CB 4.09Å; V84-L152 HydrophobicContact CG1-CD2 3.69Å; V84-L152 HydrophobicContact CG1-CG 3.83Å; V84-L152 HydrophobicContact CG2-CB 4.13Å; V84-L152 HydrophobicContact CG2-CD2 4.17Å; D85-L152 PolarHBondContact N-O 3.06Å; T150-L152 VanDerWaalsContact CG2-O 3.23Å; T150-L152 WeakPolarHBondContact CG2-O 3.47Å; L152-S183 WeakPolarHBondContact CA-O 3.37Å; L152-L374 HydrophobicContact CD2-CD1 4.1Å; L152-L374 HydrophobicContact CG-CD1 4.05Å; L152-R376 HydrophobicContact CD2-CB 3.68Å; L152-R376 HydrophobicContact CD2-CG 3.98Å; L152-H380 HydrophobicContact CD2-CB 4.02Å
153V98.9Very high97.9Very high0 Ų019 Ų190%08%0.084CC..EExtended strand (participates in β ladder)trans-132.1142179.160.30000110.2D85 T88 L142 M145 T150 M182 S183 I184 S185D85-V153 HydrophobicContact CB-CG2 4.28Å; D85-V153 WeakPolarHBondContact O-CA 3.3Å; T88-V153 HydrophobicContact CG2-CG2 3.95Å; L142-V153 HydrophobicContact CD2-CG1 3.79Å; M145-V153 HydrophobicContact CE-CB 4.27Å; M145-V153 HydrophobicContact CE-CG2 3.51Å; M145-V153 HydrophobicContact SD-CG2 4.24Å; T150-V153 HydrophobicContact CG2-CB 4.06Å; V153-M182 HydrophobicContact CB-SD 4.22Å; V153-M182 HydrophobicContact CG1-CG 3.97Å; V153-M182 HydrophobicContact CG1-SD 3.49Å; V153-M182 WeakPolarHBondContact CG1-SD 3.13Å; V153-S183 PolarHBondContact N-O 3.18Å; V153-I184 HydrophobicContact CG1-CG1 4.08Å; V153-I184 CarbonylContact O-C 3.39Å; V153-I184 WeakPolarHBondContact O-CA 3.39Å; V153-S185 PolarHBondContact O-N 3.03Å
154E98.9Very high98Very high0 Ų021 Ų210%09%0.093CC..EExtended strand (participates in β ladder)trans-85.2128.1162.9-165.8-144.5-15400110.8D85 A86 H87 T88 K156 S185 T187 L374D85-E154 PolarHBondContact O-N 3.39Å; A86-E154 WeakPolarHBondContact O-CB 3.26Å; H87-E154 VanDerWaalsContact CA-OE2 3.32Å; H87-E154 WeakPolarHBondContact CA-OE2 3.12Å; T88-E154 WeakPolarHBondContact CB-O 3.32Å; T88-E154 PolarHBondContact N-O 2.78Å; T88-E154 PolarHBondContact OG1-O 3.48Å; E154-K156 IonicContact OE1-NZ 3.55Å; E154-K156 PolarHBondContact OE1-NZ 3.39Å; E154-K156 WeakPolarHBondContact OE2-CE 3.26Å; E154-K156 WeakPolarHBondContact OE2-CG 3.31Å; E154-K156 IonicContact OE2-NZ 3.63Å; E154-K156 PolarHBondContact OE2-NZ 3.3Å; E154-S185 CarbonylContact C-O 3.6Å; E154-S185 VanDerWaalsContact CA-O 3.31Å; E154-S185 WeakPolarHBondContact CA-O 3.37Å; E154-T187 WeakPolarHBondContact CG-OG1 3.45Å; E154-T187 WeakPolarHBondContact OE1-CB 3.5Å; E154-T187 PolarHBondContact OE1-OG1 2.86Å; E154-L374 HydrophobicContact CB-CD1 4.13Å; E154-L374 HydrophobicContact CB-CD2 3.69Å; E154-L374 HydrophobicContact CG-CD2 3.8Å
155C98.9Very high98.1Very high0 Ų018.1 Ų18.10%08%0.083CC..EExtended strand (participates in β ladder)trans-114.5112.6175.6-63.40000109.4P90 I173 I184 S185 T187P90-C155 HydrophobicContact CG-CB 3.69Å; P90-C155 WeakPolarHBondContact CG-SG 3.34Å; C155-I173 HydrophobicContact CB-CD1 3.93Å; C155-I173 HydrophobicContact CB-CG1 4Å; C155-I173 HydrophobicContact CB-CG2 3.9Å; C155-I184 HydrophobicContact CB-CG2 3.91Å; C155-S185 PolarHBondContact N-O 2.95Å; C155-T187 PolarHBondContact O-N 3.34Å
156K98.9Very high98.2Very high0 Ų018.1 Ų18.10%08%0.084CC..EExtended strand (participates in β ladder)trans-90.7149.1175.2-58175.1-172.1-63.30112.1H87 T88 H89 E154 T187 C189 D230H87-K156 WeakPolarHBondContact CE1-CE 3.4Å; H87-K156 VanDerWaalsContact CG-CE 3.5Å; H87-K156 WeakPolarHBondContact ND1-CE 3.15Å; H87-K156 PolarHBondContact ND1-NZ 2.85Å; T88-K156 WeakPolarHBondContact O-CB 3.48Å; T88-K156 VanDerWaalsContact O-CG 3.3Å; T88-K156 WeakPolarHBondContact O-CG 3.3Å; T88-K156 PolarHBondContact O-N 3.23Å; H89-K156 VanDerWaalsContact CE1-CD 3.49Å; H89-K156 WeakPolarHBondContact CE1-CD 3.25Å; E154-K156 IonicContact OE1-NZ 3.55Å; E154-K156 PolarHBondContact OE1-NZ 3.39Å; E154-K156 WeakPolarHBondContact OE2-CE 3.26Å; E154-K156 WeakPolarHBondContact OE2-CG 3.31Å; E154-K156 IonicContact OE2-NZ 3.63Å; E154-K156 PolarHBondContact OE2-NZ 3.3Å; K156-T187 WeakPolarHBondContact CA-O 3.48Å; K156-T187 HydrophobicContact CG-CG2 3.96Å; K156-C189 HydrophobicContact CB-CB 4.34Å; K156-D230 WeakPolarHBondContact CD-OD2 3.47Å; K156-D230 WeakPolarHBondContact CE-OD2 3.38Å; K156-D230 IonicContact NZ-OD2 2.59Å; K156-D230 PolarHBondContact NZ-OD2 3.24Å
157S98.8Very high98.3Very high0 Ų018.1 Ų18.10%08%0.084CC..  trans-78.9-150.9159.671.80000110.4E166 T187 C189S157-E166 WeakPolarHBondContact CB-OE2 3.29Å; S157-E166 PolarHBondContact OG-OE2 3.05Å; S157-T187 PolarHBondContact N-O 3.23Å; S157-C189 PolarHBondContact OG-N 2.76Å
158G98.1Very high98.5Very high0 Ų014.6 Ų14.60%07%0.071CC..  trans102.13.6171.500000116.6L161 E166 C189 H192G158-L161 WeakPolarHBondContact O-CD2 3.27Å; G158-E166 WeakPolarHBondContact CA-OE1 3.38Å; G158-E166 PolarHBondContact N-OE1 2.89Å; G158-E166 VanDerWaalsContact N-OE1 3.14Å; G158-E166 PolarHBondContact N-OE2 3.22Å; G158-C189 WeakPolarHBondContact CA-O 3.36Å; G158-H192 WeakPolarHBondContact O-CB 3.39Å; G158-H192 PolarHBondContact O-ND1 3.35Å
159Y98.6Very high98.6Very high6 Ų614 Ų142%0.0247%0.067CC..SBendtrans-103.318.2164.6-67.2-52.6000112.4H89 V91 W92 I119 T122 V123 M169 P337H89-Y159 HydrophobicContact CB-CE2 3.86Å; V91-Y159 WeakPolarHBondContact O-CD2 3.13Å; W92-Y159 HydrophobicContact CB-CD2 3.76Å; W92-Y159 HydrophobicContact CB-CE2 4.17Å; I119-Y159 HydrophobicContact CD1-CD1 4.21Å; I119-Y159 HydrophobicContact CD1-CE1 3.9Å; I119-Y159 HydrophobicContact CG1-CD1 3.97Å; I119-Y159 HydrophobicContact CG1-CE1 3.82Å; T122-Y159 HydrophobicContact CG2-CD1 3.62Å; T122-Y159 HydrophobicContact CG2-CD2 3.79Å; T122-Y159 HydrophobicContact CG2-CE1 3.92Å; T122-Y159 HydrophobicContact CG2-CE2 4.04Å; T122-Y159 HydrophobicContact CG2-CG 3.58Å; V123-Y159 WeakPolarHBondContact CA-O 3.47Å; V123-Y159 HydrophobicContact CG2-CD1 4.35Å; Y159-M169 HydrophobicContact CD2-CE 4.38Å; Y159-P337 HydrophobicContact CE2-CG 3.92Å; Y159-P337 WeakPolarHBondContact OH-CD 3.37Å
160G98Very high98.7Very high0 Ų014.1 Ų14.10%07%0.067CC..  trans-99.8-51.9169.300000112.3R127 E162 E166R127-G160 PolarHBondContact NE-O 3.2Å; R127-G160 PolarHBondContact NH2-O 3.23Å; G160-E162 PolarHBondContact O-N 2.79Å; G160-E162 VanDerWaalsContact O-N 3.13Å; G160-E166 WeakPolarHBondContact CA-OE1 3.42Å; G160-E166 PolarHBondContact N-OE1 3.29Å
161L98.1Very high98.7Very high2 Ų218.8 Ų18.81%0.019%0.089CC..  trans55.421.3-174-42.9-178.5000113.9V123 R127 G158 E166 H192 A193 P195V123-L161 HydrophobicContact CG1-CD1 4.33Å; V123-L161 HydrophobicContact CG1-CG 4.35Å; V123-L161 HydrophobicContact CG2-CD1 3.69Å; V123-L161 HydrophobicContact CG2-CG 3.86Å; R127-L161 PolarHBondContact NH2-O 2.75Å; G158-L161 WeakPolarHBondContact O-CD2 3.27Å; L161-E166 PolarHBondContact N-OE1 3.03Å; L161-H192 HydrophobicContact CD2-CB 4.02Å; L161-A193 HydrophobicContact CD1-CB 3.93Å; L161-A193 HydrophobicContact CD2-CB 4.36Å; L161-P195 HydrophobicContact CB-CG 3.97Å; L161-P195 WeakPolarHBondContact O-CG 3.3Å
162E98.3Very high98.7Very high58 Ų5819 Ų1927%0.2719%0.09SC..SBendtrans-155.4152.6174.370.1-172.8-175.100108.7R127 G160 Q164 T165 E166R127-E162 IonicContact CZ-OE1 3.95Å; R127-E162 IonicContact CZ-OE2 3.74Å; R127-E162 IonicContact NE-OE1 2.79Å; R127-E162 IonicContact NE-OE2 3Å; R127-E162 IonicContact NH1-OE1 2.95Å; R127-E162 IonicContact NH1-OE2 2.76Å; R127-E162 PolarHBondContact NH1-OE2 3.49Å; R127-E162 IonicContact NH2-OE2 3.88Å; R127-E162 PolarHBondContact NH2-OE2 3Å; G160-E162 PolarHBondContact O-N 2.79Å; G160-E162 VanDerWaalsContact O-N 3.13Å; E162-Q164 PolarHBondContact O-N 3.32Å; E162-T165 PolarHBondContact O-N 3.2Å; E162-T165 PolarHBondContact OE1-OG1 3.06Å; E162-E166 WeakPolarHBondContact O-CB 3.24Å; E162-E166 WeakPolarHBondContact O-CG 3.36Å; E162-E166 PolarHBondContact O-N 3.44Å
163L98.6Very high98.7Very high34 Ų3419 Ų1918%0.1789%0.09CC..Hα-helixtrans-48.1-53.8-174.1174.867.3000113.2T165 E166 L167 V210 Q211 R214L163-T165 VanDerWaalsContact C-N 3.33Å; L163-T165 PolarHBondContact O-N 3.06Å; L163-E166 PolarHBondContact O-N 3.31Å; L163-L167 HydrophobicContact CD1-CD1 3.68Å; L163-L167 HydrophobicContact CD1-CG 3.92Å; L163-L167 HydrophobicContact CG-CD1 4.13Å; L163-L167 WeakPolarHBondContact O-CB 3.4Å; L163-L167 VanDerWaalsContact O-CG 3.31Å; L163-L167 WeakPolarHBondContact O-CG 3.22Å; L163-L167 PolarHBondContact O-N 2.89Å; L163-V210 HydrophobicContact CB-CG1 4.43Å; L163-V210 HydrophobicContact CD2-CG1 4.07Å; L163-Q211 HydrophobicContact CB-CG 4.17Å; L163-Q211 HydrophobicContact CD1-CB 4.43Å; L163-R214 HydrophobicContact CD1-CB 3.71Å; L163-R214 HydrophobicContact CD1-CG 3.84Å; L163-R214 HydrophobicContact CD2-CB 4.38Å; L163-R214 HydrophobicContact CD2-CG 4.27Å
164Q98.6Very high98.7Very high133 Ų13320.4 Ų20.462%0.62110%0.097SC*.Hα-helixtrans-62.2-43.5-171.4-66.579.72.500111.4E162 K168E162-Q164 PolarHBondContact O-N 3.32Å; Q164-K168 WeakPolarHBondContact O-CB 3.35Å; Q164-K168 PolarHBondContact O-N 3.17Å
165T98.8Very high98.6Very high7 Ų724.4 Ų24.44%0.04312%0.116CC..Hα-helixtrans-79.3-36.3-176.4-590000111.6T126 R127 E162 L163 K168 M169T126-T165 HydrophobicContact CG2-CG2 4.32Å; R127-T165 HydrophobicContact CG-CG2 3.91Å; E162-T165 PolarHBondContact O-N 3.2Å; E162-T165 PolarHBondContact OE1-OG1 3.06Å; L163-T165 VanDerWaalsContact C-N 3.33Å; L163-T165 PolarHBondContact O-N 3.06Å; T165-K168 WeakPolarHBondContact O-CB 3.19Å; T165-K168 PolarHBondContact O-N 2.86Å; T165-M169 VanDerWaalsContact O-CG 3.28Å; T165-M169 WeakPolarHBondContact O-CG 3.26Å; T165-M169 PolarHBondContact O-N 3.45Å
166E98.9Very high98.6Very high1 Ų124.4 Ų24.41%0.00512%0.116CC..Hα-helixtrans-60.8-45.5172.9-71.8-59.7133.100111.5S157 G158 G160 L161 E162 L163 M169 L170 Y188S157-E166 WeakPolarHBondContact CB-OE2 3.29Å; S157-E166 PolarHBondContact OG-OE2 3.05Å; G158-E166 WeakPolarHBondContact CA-OE1 3.38Å; G158-E166 PolarHBondContact N-OE1 2.89Å; G158-E166 VanDerWaalsContact N-OE1 3.14Å; G158-E166 PolarHBondContact N-OE2 3.22Å; G160-E166 WeakPolarHBondContact CA-OE1 3.42Å; G160-E166 PolarHBondContact N-OE1 3.29Å; L161-E166 PolarHBondContact N-OE1 3.03Å; E162-E166 WeakPolarHBondContact O-CB 3.24Å; E162-E166 WeakPolarHBondContact O-CG 3.36Å; E162-E166 PolarHBondContact O-N 3.44Å; L163-E166 PolarHBondContact O-N 3.31Å; E166-M169 PolarHBondContact O-N 3.49Å; E166-L170 WeakPolarHBondContact O-CG 3.47Å; E166-L170 PolarHBondContact O-N 3.25Å; E166-Y188 HydrophobicContact CB-CE2 4.09Å; E166-Y188 HydrophobicContact CG-CE2 4.24Å
167L98.8Very high98.5Very high19 Ų1927 Ų2710%0.09913%0.133CC..Hα-helixtrans-63.5-43.8175.3-69-175.4000112.1L163 M169 L170 E171 R214 L215 L218 L224L163-L167 HydrophobicContact CD1-CD1 3.68Å; L163-L167 HydrophobicContact CD1-CG 3.92Å; L163-L167 HydrophobicContact CG-CD1 4.13Å; L163-L167 WeakPolarHBondContact O-CB 3.4Å; L163-L167 VanDerWaalsContact O-CG 3.31Å; L163-L167 WeakPolarHBondContact O-CG 3.22Å; L163-L167 PolarHBondContact O-N 2.89Å; L167-M169 PolarHBondContact O-N 2.96Å; L167-L170 HydrophobicContact CD2-CD1 4.44Å; L167-L170 PolarHBondContact O-N 2.96Å; L167-L170 VanDerWaalsContact O-N 3.12Å; L167-E171 WeakPolarHBondContact O-CB 3.41Å; L167-E171 VanDerWaalsContact O-CG 3.29Å; L167-E171 WeakPolarHBondContact O-CG 3.27Å; L167-E171 PolarHBondContact O-N 3.3Å; L167-R214 HydrophobicContact CD1-CG 3.88Å; L167-L215 HydrophobicContact CD2-CD1 4.48Å; L167-L218 HydrophobicContact CD1-CD1 3.72Å; L167-L218 HydrophobicContact CD2-CD1 3.76Å; L167-L218 HydrophobicContact CG-CD1 4.33Å; L167-L224 HydrophobicContact CD2-CD1 4.14Å
168K98.8Very high98.4Very high33 Ų3334.3 Ų34.314%0.14316%0.161CC..Hα-helixtrans-54.2-42.2174.5-179.7179.565.8176.20111.6T126 R127 A129 A131 L134 Q164 T165 V172T126-K168 PolarHBondContact O-NZ 3.21Å; R127-K168 PolarHBondContact O-NZ 2.98Å; A129-K168 PolarHBondContact O-NZ 3.45Å; A131-K168 HydrophobicContact CB-CD 4.35Å; A131-K168 HydrophobicContact CB-CG 3.97Å; L134-K168 HydrophobicContact CD1-CD 4.36Å; L134-K168 HydrophobicContact CD1-CG 4.46Å; Q164-K168 WeakPolarHBondContact O-CB 3.35Å; Q164-K168 PolarHBondContact O-N 3.17Å; T165-K168 WeakPolarHBondContact O-CB 3.19Å; T165-K168 PolarHBondContact O-N 2.86Å; K168-V172 VanDerWaalsContact O-CG2 3.27Å; K168-V172 WeakPolarHBondContact O-CG2 3.16Å; K168-V172 PolarHBondContact O-N 3.15Å; K168-V172 VanDerWaalsContact O-N 3.1Å
169M98.9Very high98.4Very high0 Ų036.7 Ų36.70%018%0.178CC..Hα-helixtrans-67.4-44.2177.5-67173.677.100111.9V91 T126 Y159 T165 E166 L167 E171 V172 I173V91-M169 HydrophobicContact CB-CE 3.89Å; V91-M169 HydrophobicContact CG1-CB 4.14Å; V91-M169 HydrophobicContact CG1-CE 4.02Å; V91-M169 HydrophobicContact CG1-CG 3.98Å; V91-M169 WeakPolarHBondContact O-CE 3.45Å; T126-M169 HydrophobicContact CG2-CE 4.34Å; T126-M169 HydrophobicContact CG2-CG 4.22Å; T126-M169 HydrophobicContact CG2-SD 3.97Å; Y159-M169 HydrophobicContact CD2-CE 4.38Å; T165-M169 VanDerWaalsContact O-CG 3.28Å; T165-M169 WeakPolarHBondContact O-CG 3.26Å; T165-M169 PolarHBondContact O-N 3.45Å; E166-M169 PolarHBondContact O-N 3.49Å; L167-M169 PolarHBondContact O-N 2.96Å; M169-E171 VanDerWaalsContact C-N 3.34Å; M169-E171 PolarHBondContact O-N 3.4Å; M169-V172 WeakPolarHBondContact O-CB 3.42Å; M169-V172 PolarHBondContact O-N 2.94Å; M169-I173 VanDerWaalsContact O-CG1 3.31Å; M169-I173 WeakPolarHBondContact O-CG1 3.31Å; M169-I173 PolarHBondContact O-N 3.3Å
170L98.9Very high98.2Very high2 Ų237.8 Ų37.81%0.0118%0.184CC..Hα-helixtrans-64.5-37.2177.6-68.3173.5000112.5E166 L167 I173 E174 Y188 L215 L224 V226E166-L170 WeakPolarHBondContact O-CG 3.47Å; E166-L170 PolarHBondContact O-N 3.25Å; L167-L170 HydrophobicContact CD2-CD1 4.44Å; L167-L170 PolarHBondContact O-N 2.96Å; L167-L170 VanDerWaalsContact O-N 3.12Å; L170-I173 HydrophobicContact CD2-CD1 4.41Å; L170-I173 PolarHBondContact O-N 3.22Å; L170-E174 WeakPolarHBondContact O-CB 3.37Å; L170-E174 PolarHBondContact O-N 2.82Å; L170-Y188 HydrophobicContact CD1-CD2 4.01Å; L170-L215 HydrophobicContact CD1-CD1 3.84Å; L170-L224 HydrophobicContact CB-CD1 4.34Å; L170-L224 HydrophobicContact CB-CD2 4.48Å; L170-V226 HydrophobicContact CD1-CG2 4Å; L170-V226 HydrophobicContact CD2-CG2 3.97Å; L170-V226 HydrophobicContact CG-CG2 4.47Å
171E98.8Very high98Very high98 Ų9841 Ų4146%0.45821%0.205SC..Hα-helixtrans-63.6-41173.2-72.6169.6176.100111.6L167 M169 I173 E174 E175 L224L167-E171 WeakPolarHBondContact O-CB 3.41Å; L167-E171 VanDerWaalsContact O-CG 3.29Å; L167-E171 WeakPolarHBondContact O-CG 3.27Å; L167-E171 PolarHBondContact O-N 3.3Å; M169-E171 VanDerWaalsContact C-N 3.34Å; M169-E171 PolarHBondContact O-N 3.4Å; E171-I173 VanDerWaalsContact C-N 3.31Å; E171-I173 PolarHBondContact O-N 3.35Å; E171-E174 PolarHBondContact O-N 3.45Å; E171-E175 WeakPolarHBondContact O-CB 3.32Å; E171-E175 PolarHBondContact O-N 3.46Å; E171-L224 HydrophobicContact CB-CD2 4.44Å; E171-L224 HydrophobicContact CG-CD1 4.49Å; E171-L224 HydrophobicContact CG-CD2 3.83Å
172V98.9Very high97.9Very high5 Ų541.2 Ų41.23%0.0321%0.206CC..Hα-helixtrans-62-40173.3166.10000111.4V91 A131 L134 L135 L138 K168 M169 A176V91-V172 HydrophobicContact CG1-CG1 4.21Å; V91-V172 HydrophobicContact CG2-CG1 4.41Å; A131-V172 HydrophobicContact CB-CG2 4.02Å; A131-V172 WeakPolarHBondContact O-CG2 3.46Å; L134-V172 HydrophobicContact CB-CG1 4.22Å; L134-V172 HydrophobicContact CB-CG2 4.04Å; L135-V172 HydrophobicContact CB-CG1 4.09Å; L135-V172 HydrophobicContact CD1-CG1 4.33Å; L138-V172 HydrophobicContact CB-CG1 4.46Å; L138-V172 HydrophobicContact CD2-CG1 3.83Å; K168-V172 VanDerWaalsContact O-CG2 3.27Å; K168-V172 WeakPolarHBondContact O-CG2 3.16Å; K168-V172 PolarHBondContact O-N 3.15Å; K168-V172 VanDerWaalsContact O-N 3.1Å; M169-V172 WeakPolarHBondContact O-CB 3.42Å; M169-V172 PolarHBondContact O-N 2.94Å; V172-A176 WeakPolarHBondContact O-CB 3.44Å; V172-A176 PolarHBondContact O-N 3.17Å
173I98.8Very high97.9Very high1 Ų138.8 Ų38.81%0.00520%0.195CC..Hα-helixtrans-66.2-44.3176.6-66.9165.7000110.9V91 C155 M169 L170 E171 A176 S177 I184V91-I173 HydrophobicContact CG2-CD1 4.06Å; V91-I173 HydrophobicContact CG2-CG1 3.65Å; C155-I173 HydrophobicContact CB-CD1 3.93Å; C155-I173 HydrophobicContact CB-CG1 4Å; C155-I173 HydrophobicContact CB-CG2 3.9Å; M169-I173 VanDerWaalsContact O-CG1 3.31Å; M169-I173 WeakPolarHBondContact O-CG1 3.31Å; M169-I173 PolarHBondContact O-N 3.3Å; L170-I173 HydrophobicContact CD2-CD1 4.41Å; L170-I173 PolarHBondContact O-N 3.22Å; E171-I173 VanDerWaalsContact C-N 3.31Å; E171-I173 PolarHBondContact O-N 3.35Å; I173-A176 PolarHBondContact O-N 2.89Å; I173-S177 PolarHBondContact O-N 3.48Å; I173-I184 HydrophobicContact CG2-CG2 3.71Å
174E98.4Very high97.9Very high29 Ų2937.7 Ų37.714%0.13619%0.19CC..Hα-helixtrans-60.6-46.6176.5179.167.1-156.200111.2L170 E171 A176 S177 R178 L224 K225L170-E174 WeakPolarHBondContact O-CB 3.37Å; L170-E174 PolarHBondContact O-N 2.82Å; E171-E174 PolarHBondContact O-N 3.45Å; E174-A176 PolarHBondContact O-N 3.45Å; E174-S177 WeakPolarHBondContact O-CB 3.46Å; E174-S177 PolarHBondContact O-N 3.4Å; E174-S177 VanDerWaalsContact O-N 3.17Å; E174-R178 WeakPolarHBondContact O-CG 3.36Å; E174-R178 PolarHBondContact O-N 3.45Å; E174-R178 IonicContact OE1-CZ 3.33Å; E174-R178 IonicContact OE1-NE 3.6Å; E174-R178 PolarHBondContact OE1-NE 3.23Å; E174-R178 IonicContact OE1-NH2 3.33Å; E174-R178 PolarHBondContact OE1-NH2 3.49Å; E174-L224 HydrophobicContact CB-CD2 4.01Å; E174-L224 HydrophobicContact CG-CD2 4.38Å; E174-K225 WeakPolarHBondContact OE2-CB 3.38Å; E174-K225 PolarHBondContact OE2-N 3.34Å; E174-K225 VanDerWaalsContact OE2-N 3.14Å
175E98.4Very high97.9Very high85 Ų8531.4 Ų31.440%0.39716%0.16SC..Hα-helixtrans-63.9-40.2177.8179.955-152.100112L135 E171 S177 R178 S179L135-E175 HydrophobicContact CD1-CB 4.37Å; L135-E175 HydrophobicContact CD1-CG 4.14Å; L135-E175 HydrophobicContact CD2-CB 4.45Å; L135-E175 HydrophobicContact CD2-CG 3.57Å; E171-E175 WeakPolarHBondContact O-CB 3.32Å; E171-E175 PolarHBondContact O-N 3.46Å; E175-S177 VanDerWaalsContact C-N 3.34Å; E175-S177 PolarHBondContact O-N 2.96Å; E175-R178 PolarHBondContact O-N 2.99Å; E175-S179 WeakPolarHBondContact O-CB 3.42Å; E175-S179 PolarHBondContact O-N 3.28Å; E175-S179 PolarHBondContact O-OG 3.1Å
176A98.4Very high97.9Very high0 Ų031.5 Ų31.50%016%0.161CC..Hα-helixtrans-62.4-41.1172.800000111.8L135 L138 L142 V172 I173 E174 R178 S179 L180 I184L135-A176 HydrophobicContact CD1-CB 4.03Å; L138-A176 HydrophobicContact CD2-CB 3.5Å; L138-A176 VanDerWaalsContact CD2-CB 3.5Å; L138-A176 HydrophobicContact CG-CB 4.3Å; L142-A176 HydrophobicContact CD1-CB 4.29Å; V172-A176 WeakPolarHBondContact O-CB 3.44Å; V172-A176 PolarHBondContact O-N 3.17Å; I173-A176 PolarHBondContact O-N 2.89Å; E174-A176 PolarHBondContact O-N 3.45Å; A176-R178 PolarHBondContact O-N 2.9Å; A176-S179 PolarHBondContact O-N 3.4Å; A176-L180 HydrophobicContact CB-CD1 4.2Å; A176-L180 VanDerWaalsContact O-CB 3.29Å; A176-L180 WeakPolarHBondContact O-CB 3.32Å; A176-L180 WeakPolarHBondContact O-CG 3.19Å; A176-L180 PolarHBondContact O-N 3.49Å; A176-I184 HydrophobicContact CB-CD1 3.99Å
177S97.4Very high97.9Very high53 Ų5331.4 Ų31.437%0.37116%0.161SC..Hα-helixtrans-66-25.4177.8-174.50000113.2I173 E174 E175I173-S177 PolarHBondContact O-N 3.48Å; E174-S177 WeakPolarHBondContact O-CB 3.46Å; E174-S177 PolarHBondContact O-N 3.4Å; E174-S177 VanDerWaalsContact O-N 3.17Å; E175-S177 VanDerWaalsContact C-N 3.34Å; E175-S177 PolarHBondContact O-N 2.96Å
178R96.4Very high97.9Very high154 Ų15430.7 Ų30.758%0.58116%0.157SC*.Hα-helixtrans-84.7-36.6176.5-69.5174-174.8179.93.1112.4E174 E175 A176E174-R178 WeakPolarHBondContact O-CG 3.36Å; E174-R178 PolarHBondContact O-N 3.45Å; E174-R178 IonicContact OE1-CZ 3.33Å; E174-R178 IonicContact OE1-NE 3.6Å; E174-R178 PolarHBondContact OE1-NE 3.23Å; E174-R178 IonicContact OE1-NH2 3.33Å; E174-R178 PolarHBondContact OE1-NH2 3.49Å; E175-R178 PolarHBondContact O-N 2.99Å; A176-R178 PolarHBondContact O-N 2.9Å
179S96.4Very high97.9Very high51 Ų5129.1 Ų29.136%0.35715%0.15SC..Hα-helixtrans-95.2-16.4-170.861.40000114.7E175 A176E175-S179 WeakPolarHBondContact O-CB 3.42Å; E175-S179 PolarHBondContact O-N 3.28Å; E175-S179 PolarHBondContact O-OG 3.1Å; A176-S179 PolarHBondContact O-N 3.4Å
180L95.7Very high97.9Very high29 Ų2929.3 Ų29.315%0.15215%0.152CC..SBendtrans-114.5151.2-176.7-56.7177.7000111.9R139 L142 A176 M182R139-L180 HydrophobicContact CB-CD1 4.28Å; R139-L180 HydrophobicContact CG-CD1 4.17Å; R139-L180 HydrophobicContact CG-CD2 3.89Å; L142-L180 HydrophobicContact CB-CD1 4.45Å; L142-L180 HydrophobicContact CD1-CD1 3.66Å; A176-L180 HydrophobicContact CB-CD1 4.2Å; A176-L180 VanDerWaalsContact O-CB 3.29Å; A176-L180 WeakPolarHBondContact O-CB 3.32Å; A176-L180 WeakPolarHBondContact O-CG 3.19Å; A176-L180 PolarHBondContact O-N 3.49Å; L180-M182 VanDerWaalsContact C-N 3.25Å; L180-M182 PolarHBondContact O-N 3.07Å
181P94.6Very high97.9Very high68 Ų6829.2 Ų29.244%0.44215%0.151SC..SBendtrans-68.7-25.1178.227.5-34.8000112.9I418 V423P181-I418 HydrophobicContact CB-CD1 4.35Å; P181-I418 WeakPolarHBondContact O-CG2 3.12Å; P181-V423 HydrophobicContact CB-CG1 3.97Å; P181-V423 HydrophobicContact CG-CG1 3.94Å
182M95.9Very high97.8Very high5 Ų525.3 Ų25.33%0.02513%0.133CC..SBendtrans-59.7135.6-177.1-173.2165.3-65.100112.1L142 Q146 T150 V153 L180L142-M182 HydrophobicContact CB-CE 4.31Å; L142-M182 HydrophobicContact CB-SD 3.99Å; L142-M182 HydrophobicContact CD2-SD 3.65Å; L142-M182 HydrophobicContact CG-SD 4.3Å; L142-M182 WeakPolarHBondContact O-CE 3.24Å; Q146-M182 HydrophobicContact CB-CE 3.51Å; Q146-M182 HydrophobicContact CG-CE 4.03Å; T150-M182 WeakPolarHBondContact O-CE 3.17Å; V153-M182 HydrophobicContact CB-SD 4.22Å; V153-M182 HydrophobicContact CG1-CG 3.97Å; V153-M182 HydrophobicContact CG1-SD 3.49Å; V153-M182 WeakPolarHBondContact CG1-SD 3.13Å; L180-M182 VanDerWaalsContact C-N 3.25Å; L180-M182 PolarHBondContact O-N 3.07Å
183S98.2Very high97.7Very high7 Ų725.4 Ų25.45%0.04914%0.135CC..EExtended strand (participates in β ladder)trans-77130172.5-590000109.8T151 L152 V153 H380 R388T151-S183 WeakPolarHBondContact O-CB 3.04Å; T151-S183 PolarHBondContact O-N 3.02Å; L152-S183 WeakPolarHBondContact CA-O 3.37Å; V153-S183 PolarHBondContact N-O 3.18Å; S183-H380 PolarHBondContact OG-NE2 3Å; S183-R388 PolarHBondContact OG-NH1 2.83Å
184I98.7Very high97.6Very high12 Ų1226.6 Ų26.66%0.06214%0.142CC..EExtended strand (participates in β ladder)trans-115.5140.5179-61.9179.6000109.8L142 V153 C155 I173 A176 R376L142-I184 HydrophobicContact CD1-CD1 3.95Å; V153-I184 HydrophobicContact CG1-CG1 4.08Å; V153-I184 CarbonylContact O-C 3.39Å; V153-I184 WeakPolarHBondContact O-CA 3.39Å; C155-I184 HydrophobicContact CB-CG2 3.91Å; I173-I184 HydrophobicContact CG2-CG2 3.71Å; A176-I184 HydrophobicContact CB-CD1 3.99Å; I184-R376 PolarHBondContact O-NH1 2.82Å
185S98.6Very high97.4Very high0 Ų025.9 Ų25.90%014%0.14CC..EExtended strand (participates in β ladder)trans-108116.5161-169.10000108.2V153 E154 C155 Q227 N228V153-S185 PolarHBondContact O-N 3.03Å; E154-S185 CarbonylContact C-O 3.6Å; E154-S185 VanDerWaalsContact CA-O 3.31Å; E154-S185 WeakPolarHBondContact CA-O 3.37Å; C155-S185 PolarHBondContact N-O 2.95Å; S185-Q227 PolarHBondContact OG-OE1 2.99Å; S185-N228 PolarHBondContact OG-ND2 2.97Å; S185-N228 VanDerWaalsContact OG-ND2 3.14Å
186S98.7Very high97.1Very high9 Ų928.2 Ų28.26%0.06315%0.149CC..EExtended strand (participates in β ladder)trans-92.6131.8-175.8-177.80000110.6K225 Q227 N228S186-K225 WeakPolarHBondContact CB-O 3.22Å; S186-Q227 PolarHBondContact O-N 2.8Å; S186-N228 PolarHBondContact O-N 3.47Å
187T98.9Very high96.9Very high0 Ų032.3 Ų32.30%019%0.191CC..EExtended strand (participates in β ladder)trans-127.7125.6-177-62.50000110.2E154 C155 K156 S157 N228 D230E154-T187 WeakPolarHBondContact CG-OG1 3.45Å; E154-T187 WeakPolarHBondContact OE1-CB 3.5Å; E154-T187 PolarHBondContact OE1-OG1 2.86Å; C155-T187 PolarHBondContact O-N 3.34Å; K156-T187 WeakPolarHBondContact CA-O 3.48Å; K156-T187 HydrophobicContact CG-CG2 3.96Å; S157-T187 PolarHBondContact N-O 3.23Å; T187-N228 WeakPolarHBondContact CA-O 3.45Å; T187-N228 HydrophobicContact CG2-CB 3.97Å; T187-N228 WeakPolarHBondContact OG1-CB 3.4Å; T187-N228 PolarHBondContact OG1-ND2 2.96Å; T187-D230 HydrophobicContact CG2-CB 3.6Å
188Y98.9Very high96.8Very high3 Ų333.2 Ų33.21%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-81.3122.4170.6168.6-102.8000109.7E166 L170 V207 Q211 L212 L215 N228 I229 D230E166-Y188 HydrophobicContact CB-CE2 4.09Å; E166-Y188 HydrophobicContact CG-CE2 4.24Å; L170-Y188 HydrophobicContact CD1-CD2 4.01Å; Y188-V207 HydrophobicContact CE1-CG1 4.31Å; Y188-Q211 WeakPolarHBondContact OH-CB 2.85Å; Y188-Q211 PolarHBondContact OH-OE1 3.43Å; Y188-L212 HydrophobicContact CD1-CD2 3.79Å; Y188-L212 HydrophobicContact CE1-CD2 3.47Å; Y188-L212 VanDerWaalsContact CE1-CD2 3.47Å; Y188-L212 HydrophobicContact CE1-CG 4.31Å; Y188-L215 HydrophobicContact CD1-CD2 4.13Å; Y188-L215 HydrophobicContact CD2-CD2 4.09Å; Y188-L215 HydrophobicContact CG-CD2 3.74Å; Y188-N228 PolarHBondContact N-O 3.3Å; Y188-I229 HydrophobicContact CD1-CD1 4.3Å; Y188-I229 HydrophobicContact CD1-CG1 4.16Å; Y188-I229 WeakPolarHBondContact O-CA 3.43Å; Y188-D230 PolarHBondContact O-N 2.93Å
189C98.7Very high96.8Very high0 Ų029.6 Ų29.60%018%0.183CC..EExtended strand (participates in β ladder)trans-127.845.8-179.6-164.70000111.1K156 S157 G158 A191 H192 D230K156-C189 HydrophobicContact CB-CB 4.34Å; S157-C189 PolarHBondContact OG-N 2.76Å; G158-C189 WeakPolarHBondContact CA-O 3.36Å; C189-A191 PolarHBondContact O-N 3.27Å; C189-A191 VanDerWaalsContact O-N 3.17Å; C189-H192 WeakPolarHBondContact O-CB 3.43Å; C189-H192 PolarHBondContact O-N 3.37Å; C189-D230 HydrophobicContact CB-CB 3.88Å
190G97.9Very high96.8Very high4 Ų429.1 Ų29.14%0.04118%0.178CC..EExtended strand (participates in β ladder)trans-64.1-19.6-179.500000114.2H192G190-H192 PolarHBondContact O-N 3.36Å
191A98.3Very high97Very high0 Ų031 Ų310%020%0.198CC..EExtended strand (participates in β ladder)trans-96.844.6175.100000112.4C189 V207 V231 F232 F238 V246C189-A191 PolarHBondContact O-N 3.27Å; C189-A191 VanDerWaalsContact O-N 3.17Å; A191-V207 HydrophobicContact CB-CG2 4.4Å; A191-V231 HydrophobicContact CB-CB 4.24Å; A191-V231 HydrophobicContact CB-CG1 3.94Å; A191-V231 HydrophobicContact CB-CG2 3.96Å; A191-F232 PolarHBondContact O-N 2.93Å; A191-F238 VanDerWaalsContact CA-CE2 3.49Å; A191-F238 HydrophobicContact CB-CD1 4.36Å; A191-F238 HydrophobicContact CB-CD2 4.07Å; A191-F238 HydrophobicContact CB-CE1 4Å; A191-F238 HydrophobicContact CB-CE2 3.72Å; A191-F238 HydrophobicContact CB-CG 4.4Å; A191-F238 HydrophobicContact CB-CZ 3.68Å; A191-F238 VanDerWaalsContact O-CD2 3.26Å; A191-F238 WeakPolarHBondContact O-CD2 3.27Å; A191-F238 VanDerWaalsContact O-CE2 3.29Å; A191-F238 WeakPolarHBondContact O-CE2 3.47Å; A191-V246 HydrophobicContact CB-CG1 4.41Å
192H98.2Very high97.1Very high16 Ų1632.7 Ų32.77%0.07420%0.2CC..SBendtrans-84.3-32-180-167.6-176.8000113H89 G158 L161 C189 G190 F232H89-H192 AromaticContact CE1-CE1 3.22Å; H89-H192 PolarHBondContact CE1-CE1 2.61Å; H89-H192 AromaticContact CE1-ND1 3.9Å; H89-H192 AromaticContact CE1-NE2 3.54Å; H89-H192 AromaticContact ND1-CE1 3.42Å; H89-H192 PolarHBondContact ND1-CE1 2.85Å; H89-H192 AromaticContact ND1-ND1 3.97Å; H89-H192 AromaticContact NE2-CE1 3.98Å; G158-H192 WeakPolarHBondContact O-CB 3.39Å; G158-H192 PolarHBondContact O-ND1 3.35Å; L161-H192 HydrophobicContact CD2-CB 4.02Å; C189-H192 WeakPolarHBondContact O-CB 3.43Å; C189-H192 PolarHBondContact O-N 3.37Å; G190-H192 PolarHBondContact O-N 3.36Å; H192-F232 WeakPolarHBondContact O-CB 3.35Å; H192-F232 WeakPolarHBondContact O-CD1 3.47Å
193A96.4Very high97.3Very high8 Ų832.6 Ų32.67%0.06620%0.2CC..SBendtrans-155.4160.3173.100000110.4I119 L161 P195I119-A193 HydrophobicContact CD1-CB 3.85Å; I119-A193 HydrophobicContact CG1-CB 4.38Å; I119-A193 HydrophobicContact CG2-CB 3.99Å; L161-A193 HydrophobicContact CD1-CB 3.93Å; L161-A193 HydrophobicContact CD2-CB 4.36Å; A193-P195 WeakPolarHBondContact O-CD 3.48Å
194V96Very high97.3Very high25 Ų2532.7 Ų32.715%0.15220%0.201CC..PPolyproline II helixtrans-74.3121.2175-1750000109.1H120 K198 V200 A203 V237H120-V194 PolarHBondContact CE1-O 2.76Å; H120-V194 PolarHBondContact NE2-O 3.46Å; V194-K198 HydrophobicContact CG1-CB 4.33Å; V194-K198 WeakPolarHBondContact CG1-O 3.49Å; V194-V200 HydrophobicContact CG2-CG2 3.95Å; V194-A203 HydrophobicContact CG1-CB 4.23Å; V194-V237 WeakPolarHBondContact CG2-O 3.3Å
195P94.8Very high97.3Very high15 Ų1537 Ų3710%0.09722%0.22CC..PPolyproline II helixtrans-56.9145.6177-2231.3000112.3L161 A193 G197 K198L161-P195 HydrophobicContact CB-CG 3.97Å; L161-P195 WeakPolarHBondContact O-CG 3.3Å; A193-P195 WeakPolarHBondContact O-CD 3.48Å; P195-G197 PolarHBondContact O-N 3.42Å; P195-K198 HydrophobicContact CB-CD 4.16Å; P195-K198 HydrophobicContact CB-CG 4.34Å; P195-K198 HydrophobicContact CG-CD 4.04Å; P195-K198 PolarHBondContact O-N 3.04Å
196K92Very high97.3Very high133 Ų13338.7 Ų38.758%0.57823%0.23SC*.THydrogen-bonded Turntrans-52.8129175.2-75.6-177.8174.8172.90110.4E124 K198E124-K196 IonicContact OE1-NZ 3.66Å; E124-K196 PolarHBondContact OE1-NZ 3.22Å; K196-K198 VanDerWaalsContact C-N 3.35Å
197G93.5Very high97.3Very high87 Ų8738.4 Ų38.490%0.89723%0.227SC*.THydrogen-bonded Turntrans82.83.5178.500000115.4P195P195-G197 PolarHBondContact O-N 3.42Å
198K96.1Very high97.3Very high72 Ų7240.2 Ų40.231%0.31324%0.237SC..  trans-108.2153.4170.8-66.5-168.2179.9-175.20111.3V194 P195 K196 E202 D206V194-K198 HydrophobicContact CG1-CB 4.33Å; V194-K198 WeakPolarHBondContact CG1-O 3.49Å; P195-K198 HydrophobicContact CB-CD 4.16Å; P195-K198 HydrophobicContact CB-CG 4.34Å; P195-K198 HydrophobicContact CG-CD 4.04Å; P195-K198 PolarHBondContact O-N 3.04Å; K196-K198 VanDerWaalsContact C-N 3.35Å; K198-E202 HydrophobicContact CB-CB 4.21Å; K198-E202 HydrophobicContact CD-CB 4.45Å; K198-E202 HydrophobicContact CG-CB 4.46Å; K198-D206 IonicContact NZ-OD1 3.45Å; K198-D206 PolarHBondContact NZ-OD1 3.02Å; K198-D206 IonicContact NZ-OD2 3.88Å
199T97.2Very high97.3Very high77 Ų7745.7 Ų45.747%0.47226%0.262SS..  trans-83.1165.8162.661.30000110.9A201 E202 A203T199-A201 VanDerWaalsContact C-N 3.26Å; T199-A201 PolarHBondContact O-N 3.14Å; T199-E202 WeakPolarHBondContact CB-OE2 3.42Å; T199-E202 WeakPolarHBondContact CG2-OE2 3.39Å; T199-E202 PolarHBondContact N-OE2 2.91Å; T199-E202 PolarHBondContact O-N 2.76Å; T199-E202 VanDerWaalsContact OG1-CG 3.3Å; T199-E202 WeakPolarHBondContact OG1-CG 3.34Å; T199-E202 PolarHBondContact OG1-N 3.14Å; T199-E202 PolarHBondContact OG1-OE2 2.87Å; T199-A203 WeakPolarHBondContact O-CB 3.01Å; T199-A203 PolarHBondContact O-N 3Å
200V96.6Very high97.3Very high41 Ų4148.8 Ų48.825%0.24828%0.281CS..Hα-helixtrans-55.7-43.1173.4-178.10000110.9V194 A203 T204 V237 F238V194-V200 HydrophobicContact CG2-CG2 3.95Å; V200-A203 PolarHBondContact O-N 2.66Å; V200-T204 WeakPolarHBondContact O-CB 3.18Å; V200-T204 PolarHBondContact O-N 2.59Å; V200-T204 PolarHBondContact O-OG1 2.9Å; V200-V237 WeakPolarHBondContact CG2-O 3.39Å; V200-F238 HydrophobicContact CG1-CD1 4.22Å
201A98.1Very high97.3Very high69 Ų6948.8 Ų48.857%0.5728%0.28SS*.Hα-helixtrans-63-46.6179.200000112.1T199 A203 T204 E205T199-A201 VanDerWaalsContact C-N 3.26Å; T199-A201 PolarHBondContact O-N 3.14Å; A201-A203 PolarHBondContact O-N 3.05Å; A201-T204 PolarHBondContact O-N 2.99Å; A201-E205 WeakPolarHBondContact O-CB 3.38Å; A201-E205 PolarHBondContact O-N 2.92Å
202E98.4Very high97.3Very high103 Ų10349 Ų4948%0.48128%0.281SS..Hα-helixtrans-66-36.7177.4-70.1164.2138.300112.5K198 T199 D206K198-E202 HydrophobicContact CB-CB 4.21Å; K198-E202 HydrophobicContact CD-CB 4.45Å; K198-E202 HydrophobicContact CG-CB 4.46Å; T199-E202 WeakPolarHBondContact CB-OE2 3.42Å; T199-E202 WeakPolarHBondContact CG2-OE2 3.39Å; T199-E202 PolarHBondContact N-OE2 2.91Å; T199-E202 PolarHBondContact O-N 2.76Å; T199-E202 VanDerWaalsContact OG1-CG 3.3Å; T199-E202 WeakPolarHBondContact OG1-CG 3.34Å; T199-E202 PolarHBondContact OG1-N 3.14Å; T199-E202 PolarHBondContact OG1-OE2 2.87Å; E202-D206 WeakPolarHBondContact O-CB 3.4Å; E202-D206 PolarHBondContact O-N 3.13Å
203A98.4Very high97.4Very high3 Ų350.7 Ų50.73%0.02529%0.294CS..Hα-helixtrans-67.4-41174.900000111.6V194 T199 V200 A201 D206 V207 F238V194-A203 HydrophobicContact CG1-CB 4.23Å; T199-A203 WeakPolarHBondContact O-CB 3.01Å; T199-A203 PolarHBondContact O-N 3Å; V200-A203 PolarHBondContact O-N 2.66Å; A201-A203 PolarHBondContact O-N 3.05Å; A203-D206 PolarHBondContact O-N 3.05Å; A203-V207 WeakPolarHBondContact O-CG2 3.16Å; A203-V207 PolarHBondContact O-N 2.93Å; A203-F238 HydrophobicContact CB-CE1 4.09Å; A203-F238 HydrophobicContact CB-CZ 3.97Å
204T98.8Very high97.5Very high10 Ų1055.3 Ų55.36%0.06131%0.31CS..Hα-helixtrans-62.6-47.8176.2-55.90000110.6V200 A201 D206 V207 L208 S242 V246V200-T204 WeakPolarHBondContact O-CB 3.18Å; V200-T204 PolarHBondContact O-N 2.59Å; V200-T204 PolarHBondContact O-OG1 2.9Å; A201-T204 PolarHBondContact O-N 2.99Å; T204-D206 VanDerWaalsContact C-N 3.34Å; T204-D206 PolarHBondContact O-N 2.91Å; T204-V207 PolarHBondContact O-N 2.53Å; T204-L208 HydrophobicContact CG2-CD1 3.89Å; T204-L208 HydrophobicContact CG2-CG 4.43Å; T204-L208 VanDerWaalsContact O-CG 3.32Å; T204-L208 WeakPolarHBondContact O-CG 3.43Å; T204-L208 PolarHBondContact O-N 3.14Å; T204-S242 VanDerWaalsContact OG1-CB 3.24Å; T204-S242 WeakPolarHBondContact OG1-CB 3.32Å; T204-S242 PolarHBondContact OG1-OG 2.94Å; T204-V246 HydrophobicContact CG2-CG2 4.13Å
205E98.7Very high97.6Very high102 Ų10254.2 Ų54.248%0.47730%0.303SS..Hα-helixtrans-63.6-39.3179.1-171.765.9-176.600111.9A201 V207 L208 Q209A201-E205 WeakPolarHBondContact O-CB 3.38Å; A201-E205 PolarHBondContact O-N 2.92Å; E205-V207 PolarHBondContact O-N 2.81Å; E205-L208 PolarHBondContact O-N 2.77Å; E205-Q209 VanDerWaalsContact CD-CG 3.4Å; E205-Q209 HydrophobicContact CG-CG 3.97Å; E205-Q209 WeakPolarHBondContact O-CB 3.43Å; E205-Q209 WeakPolarHBondContact O-CG 3.39Å; E205-Q209 PolarHBondContact O-N 2.87Å; E205-Q209 WeakPolarHBondContact OE1-CG 3.31Å; E205-Q209 PolarHBondContact OE1-NE2 3.46Å
206D98.8Very high97.8Very high36 Ų3658.5 Ų58.519%0.19332%0.32CS..Hα-helixtrans-60.7-44.2174-175.3100.7000111.9K198 E202 A203 T204 V210 Q211K198-D206 IonicContact NZ-OD1 3.45Å; K198-D206 PolarHBondContact NZ-OD1 3.02Å; K198-D206 IonicContact NZ-OD2 3.88Å; E202-D206 WeakPolarHBondContact O-CB 3.4Å; E202-D206 PolarHBondContact O-N 3.13Å; A203-D206 PolarHBondContact O-N 3.05Å; T204-D206 VanDerWaalsContact C-N 3.34Å; T204-D206 PolarHBondContact O-N 2.91Å; D206-V210 WeakPolarHBondContact O-CA 3.38Å; D206-V210 WeakPolarHBondContact O-CB 3.47Å; D206-V210 PolarHBondContact O-N 3.34Å; D206-Q211 PolarHBondContact O-N 2.99Å; D206-Q211 PolarHBondContact OD2-NE2 3.38Å
207V98.8Very high98.1Very high3 Ų357.3 Ų57.32%0.01832%0.316CS..Iπ-helixtrans-61.3-47.9175.5170.70000110.8Y188 A191 A203 T204 E205 Q211 L212 V246Y188-V207 HydrophobicContact CE1-CG1 4.31Å; A191-V207 HydrophobicContact CB-CG2 4.4Å; A203-V207 WeakPolarHBondContact O-CG2 3.16Å; A203-V207 PolarHBondContact O-N 2.93Å; T204-V207 PolarHBondContact O-N 2.53Å; E205-V207 PolarHBondContact O-N 2.81Å; V207-Q211 PolarHBondContact O-N 3.25Å; V207-L212 HydrophobicContact CG1-CD1 4.16Å; V207-L212 HydrophobicContact CG1-CG 4.04Å; V207-L212 WeakPolarHBondContact O-CB 3.4Å; V207-L212 WeakPolarHBondContact O-CG 3.32Å; V207-L212 PolarHBondContact O-N 2.95Å; V207-V246 HydrophobicContact CB-CG2 4.33Å; V207-V246 HydrophobicContact CG1-CB 4.44Å; V207-V246 HydrophobicContact CG1-CG1 3.72Å; V207-V246 HydrophobicContact CG1-CG2 3.86Å
208L98.8Very high98.3Very high37 Ų3754.1 Ų54.119%0.19428%0.278CS..Iπ-helixtrans-70.3-43.2-175.2-69.4174.4000113.7T204 E205 L212 P213 A245 V246 A249T204-L208 HydrophobicContact CG2-CD1 3.89Å; T204-L208 HydrophobicContact CG2-CG 4.43Å; T204-L208 VanDerWaalsContact O-CG 3.32Å; T204-L208 WeakPolarHBondContact O-CG 3.43Å; T204-L208 PolarHBondContact O-N 3.14Å; E205-L208 PolarHBondContact O-N 2.77Å; L208-L212 HydrophobicContact CD2-CD1 4.29Å; L208-P213 VanDerWaalsContact O-CD 3.24Å; L208-P213 WeakPolarHBondContact O-CD 3.27Å; L208-P213 WeakPolarHBondContact O-CG 3.42Å; L208-A245 HydrophobicContact CD1-CB 4.11Å; L208-V246 HydrophobicContact CD2-CG2 4.27Å; L208-V246 HydrophobicContact CG-CG2 4.38Å; L208-A249 HydrophobicContact CD2-CB 3.58Å
209Q98.6Very high98.4Very high118 Ų11852.9 Ų52.955%0.55127%0.274SS*.Iπ-helixtrans-98-18.8-171.9-55.6-52.2-34.100114.2E205E205-Q209 VanDerWaalsContact CD-CG 3.4Å; E205-Q209 HydrophobicContact CG-CG 3.97Å; E205-Q209 WeakPolarHBondContact O-CB 3.43Å; E205-Q209 WeakPolarHBondContact O-CG 3.39Å; E205-Q209 PolarHBondContact O-N 2.87Å; E205-Q209 WeakPolarHBondContact OE1-CG 3.31Å; E205-Q209 PolarHBondContact OE1-NE2 3.46Å
210V98.6Very high98.4Very high66 Ų6653.9 Ų53.940%0.429%0.285SS..Iπ-helixtrans-117.2-56.2-175.3-173.90000110.8L163 D206L163-V210 HydrophobicContact CB-CG1 4.43Å; L163-V210 HydrophobicContact CD2-CG1 4.07Å; D206-V210 WeakPolarHBondContact O-CA 3.38Å; D206-V210 WeakPolarHBondContact O-CB 3.47Å; D206-V210 PolarHBondContact O-N 3.34Å
211Q98.8Very high98.4Very high4 Ų455.4 Ų55.42%0.01930%0.301CS..Iπ-helixtrans-74.6-53.5-170.1-55.3-169.43200113.2L163 Y188 D206 V207 R214 L215L163-Q211 HydrophobicContact CB-CG 4.17Å; L163-Q211 HydrophobicContact CD1-CB 4.43Å; Y188-Q211 WeakPolarHBondContact OH-CB 2.85Å; Y188-Q211 PolarHBondContact OH-OE1 3.43Å; D206-Q211 PolarHBondContact O-N 2.99Å; D206-Q211 PolarHBondContact OD2-NE2 3.38Å; V207-Q211 PolarHBondContact O-N 3.25Å; Q211-R214 PolarHBondContact O-N 3.26Å; Q211-L215 WeakPolarHBondContact O-CB 3.49Å; Q211-L215 PolarHBondContact O-N 3.14Å
212L98.8Very high98.3Very high4 Ų454.9 Ų54.92%0.02130%0.303CS..Hα-helixtrans-63.1-42.2-178.1-70.7-177.9000113.5Y188 V207 L208 R214 L215 K216 I229 A249 M253Y188-L212 HydrophobicContact CD1-CD2 3.79Å; Y188-L212 HydrophobicContact CE1-CD2 3.47Å; Y188-L212 VanDerWaalsContact CE1-CD2 3.47Å; Y188-L212 HydrophobicContact CE1-CG 4.31Å; V207-L212 HydrophobicContact CG1-CD1 4.16Å; V207-L212 HydrophobicContact CG1-CG 4.04Å; V207-L212 WeakPolarHBondContact O-CB 3.4Å; V207-L212 WeakPolarHBondContact O-CG 3.32Å; V207-L212 PolarHBondContact O-N 2.95Å; L208-L212 HydrophobicContact CD2-CD1 4.29Å; L212-R214 VanDerWaalsContact C-N 3.33Å; L212-R214 PolarHBondContact O-N 3.24Å; L212-L215 HydrophobicContact CD2-CD2 4.32Å; L212-L215 PolarHBondContact O-N 2.74Å; L212-K216 WeakPolarHBondContact O-CB 3.44Å; L212-K216 PolarHBondContact O-N 3Å; L212-I229 HydrophobicContact CD1-CD1 4.21Å; L212-I229 HydrophobicContact CD2-CD1 3.91Å; L212-A249 HydrophobicContact CD1-CB 3.63Å; L212-M253 HydrophobicContact CB-SD 3.9Å; L212-M253 HydrophobicContact CD2-CE 4.44Å; L212-M253 HydrophobicContact CD2-SD 4.25Å; L212-M253 WeakPolarHBondContact O-CE 3.24Å
213P98.6Very high98.1Very high52 Ų5253.1 Ų53.134%0.33830%0.302SS..Hα-helixtrans-59-44.3175.7-28.438.6000112.2L208 K216 E217L208-P213 VanDerWaalsContact O-CD 3.24Å; L208-P213 WeakPolarHBondContact O-CD 3.27Å; L208-P213 WeakPolarHBondContact O-CG 3.42Å; P213-K216 WeakPolarHBondContact O-CB 3.29Å; P213-K216 PolarHBondContact O-N 3.39Å; P213-E217 WeakPolarHBondContact O-CG 3.41Å; P213-E217 PolarHBondContact O-N 3.4Å; P213-E217 VanDerWaalsContact O-N 3.07Å
214R98.6Very high98Very high105 Ų10553.5 Ų53.540%0.39630%0.303SS..Hα-helixtrans-67.7-38.4178.4-175.758.1-179.2160.42.8112.4L163 L167 Q211 L212 K216 E217 L218L163-R214 HydrophobicContact CD1-CB 3.71Å; L163-R214 HydrophobicContact CD1-CG 3.84Å; L163-R214 HydrophobicContact CD2-CB 4.38Å; L163-R214 HydrophobicContact CD2-CG 4.27Å; L167-R214 HydrophobicContact CD1-CG 3.88Å; Q211-R214 PolarHBondContact O-N 3.26Å; L212-R214 VanDerWaalsContact C-N 3.33Å; L212-R214 PolarHBondContact O-N 3.24Å; R214-K216 VanDerWaalsContact C-N 3.34Å; R214-E217 VanDerWaalsContact CD-OE2 3.32Å; R214-E217 WeakPolarHBondContact CD-OE2 3.48Å; R214-E217 IonicContact CZ-OE2 3.34Å; R214-E217 IonicContact NE-OE2 3.77Å; R214-E217 IonicContact NH1-OE2 3.85Å; R214-E217 PolarHBondContact NH1-OE2 3.23Å; R214-E217 PolarHBondContact O-N 3.39Å; R214-L218 WeakPolarHBondContact O-CG 3.46Å; R214-L218 PolarHBondContact O-N 3.17Å
215L98.7Very high97.9Very high1 Ų159.5 Ų59.51%0.00533%0.329CS..Hα-helixtrans-60.4-44.5173.1176.459.4000111.2L167 L170 Y188 Q211 L212 E217 L218 M219 L224 V226 M253 L255L167-L215 HydrophobicContact CD2-CD1 4.48Å; L170-L215 HydrophobicContact CD1-CD1 3.84Å; Y188-L215 HydrophobicContact CD1-CD2 4.13Å; Y188-L215 HydrophobicContact CD2-CD2 4.09Å; Y188-L215 HydrophobicContact CG-CD2 3.74Å; Q211-L215 WeakPolarHBondContact O-CB 3.49Å; Q211-L215 PolarHBondContact O-N 3.14Å; L212-L215 HydrophobicContact CD2-CD2 4.32Å; L212-L215 PolarHBondContact O-N 2.74Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-E217 PolarHBondContact O-N 3.27Å; L215-L218 PolarHBondContact O-N 2.95Å; L215-M219 HydrophobicContact CD1-CG 4.12Å; L215-M219 HydrophobicContact CD1-SD 4.06Å; L215-M219 HydrophobicContact CD2-SD 4.48Å; L215-M219 HydrophobicContact CG-CG 4.44Å; L215-M219 HydrophobicContact CG-SD 3.91Å; L215-M219 WeakPolarHBondContact O-CG 3.23Å; L215-M219 PolarHBondContact O-N 2.98Å; L215-L224 HydrophobicContact CD1-CD1 4.43Å; L215-V226 HydrophobicContact CD1-CG2 3.83Å; L215-M253 HydrophobicContact CB-CE 4.33Å; L215-M253 HydrophobicContact CD2-CE 4.31Å; L215-M253 HydrophobicContact CG-CE 4.17Å; L215-L255 HydrophobicContact CD2-CD1 4.39Å
216K98.6Very high97.9Very high106 Ų10655 Ų5546%0.46131%0.309SS..Hα-helixtrans-57.9-43.6177.1-167.2-178.5-173.5167.60112L212 P213 R214 M219 S220 M253L212-K216 WeakPolarHBondContact O-CB 3.44Å; L212-K216 PolarHBondContact O-N 3Å; P213-K216 WeakPolarHBondContact O-CB 3.29Å; P213-K216 PolarHBondContact O-N 3.39Å; R214-K216 VanDerWaalsContact C-N 3.34Å; K216-M219 PolarHBondContact O-N 3.33Å; K216-S220 VanDerWaalsContact O-CB 3.3Å; K216-S220 WeakPolarHBondContact O-CB 3.3Å; K216-S220 PolarHBondContact O-N 2.98Å; K216-S220 PolarHBondContact O-OG 3.39Å; K216-M253 HydrophobicContact CB-CE 3.62Å; K216-M253 HydrophobicContact CB-CG 4.34Å; K216-M253 HydrophobicContact CB-SD 4.11Å; K216-M253 HydrophobicContact CD-CG 3.94Å; K216-M253 HydrophobicContact CG-CE 4.24Å; K216-M253 HydrophobicContact CG-CG 4.09Å
217E98.3Very high97.9Very high107 Ų10755.3 Ų55.350%0.531%0.309SS..Hα-helixtrans-59.3-48.6176.6-71.5173.6-179.400111.6P213 R214 L215 M219 S220 A221P213-E217 WeakPolarHBondContact O-CG 3.41Å; P213-E217 PolarHBondContact O-N 3.4Å; P213-E217 VanDerWaalsContact O-N 3.07Å; R214-E217 VanDerWaalsContact CD-OE2 3.32Å; R214-E217 WeakPolarHBondContact CD-OE2 3.48Å; R214-E217 IonicContact CZ-OE2 3.34Å; R214-E217 IonicContact NE-OE2 3.77Å; R214-E217 IonicContact NH1-OE2 3.85Å; R214-E217 PolarHBondContact NH1-OE2 3.23Å; R214-E217 PolarHBondContact O-N 3.39Å; L215-E217 VanDerWaalsContact C-N 3.32Å; L215-E217 PolarHBondContact O-N 3.27Å; E217-M219 PolarHBondContact O-N 2.97Å; E217-S220 PolarHBondContact O-N 3.48Å; E217-A221 WeakPolarHBondContact O-CB 3.37Å; E217-A221 PolarHBondContact O-N 3.38Å
218L98.3Very high97.9Very high20 Ų2055.2 Ų55.211%0.10531%0.308CS..Hα-helixtrans-67.1-37.3-178.6-67.9173.5000112.6L167 R214 L215 G222 S223 L224L167-L218 HydrophobicContact CD1-CD1 3.72Å; L167-L218 HydrophobicContact CD2-CD1 3.76Å; L167-L218 HydrophobicContact CG-CD1 4.33Å; R214-L218 WeakPolarHBondContact O-CG 3.46Å; R214-L218 PolarHBondContact O-N 3.17Å; L215-L218 PolarHBondContact O-N 2.95Å; L218-G222 PolarHBondContact O-N 3.46Å; L218-S223 PolarHBondContact O-N 3.29Å; L218-L224 HydrophobicContact CB-CB 4.37Å; L218-L224 HydrophobicContact CB-CD1 4Å; L218-L224 HydrophobicContact CB-CG 4.31Å; L218-L224 HydrophobicContact CD1-CD1 3.75Å; L218-L224 PolarHBondContact O-N 3.03Å
219M98.1Very high97.9Very high46 Ų4653.4 Ų53.423%0.22730%0.299CS..Hα-helixtrans-66-43.8173-71.7175.661.300111.8L215 K216 E217 A221 G222 L224 V226 M253 L255L215-M219 HydrophobicContact CD1-CG 4.12Å; L215-M219 HydrophobicContact CD1-SD 4.06Å; L215-M219 HydrophobicContact CD2-SD 4.48Å; L215-M219 HydrophobicContact CG-CG 4.44Å; L215-M219 HydrophobicContact CG-SD 3.91Å; L215-M219 WeakPolarHBondContact O-CG 3.23Å; L215-M219 PolarHBondContact O-N 2.98Å; K216-M219 PolarHBondContact O-N 3.33Å; E217-M219 PolarHBondContact O-N 2.97Å; M219-A221 VanDerWaalsContact C-N 3.27Å; M219-A221 PolarHBondContact O-N 2.8Å; M219-G222 PolarHBondContact O-N 3Å; M219-L224 WeakPolarHBondContact CA-O 3.43Å; M219-V226 WeakPolarHBondContact CE-O 3.39Å; M219-V226 HydrophobicContact SD-CB 4Å; M219-M253 HydrophobicContact SD-CE 4.5Å; M219-L255 HydrophobicContact CE-CD2 3.61Å; M219-L255 HydrophobicContact CE-CG 4.48Å; M219-L255 HydrophobicContact SD-CD2 4.04Å
220S97.3Very high97.9Very high99 Ų9947.8 Ų47.869%0.69227%0.272SS*.Hα-helixtrans-65.8-32.4178.5-56.90000112K216 E217 G222K216-S220 VanDerWaalsContact O-CB 3.3Å; K216-S220 WeakPolarHBondContact O-CB 3.3Å; K216-S220 PolarHBondContact O-N 2.98Å; K216-S220 PolarHBondContact O-OG 3.39Å; E217-S220 PolarHBondContact O-N 3.48Å; S220-G222 PolarHBondContact O-N 3.39Å
221A97.3Very high97.9Very high72 Ų7244.7 Ų44.760%0.59525%0.253SS*.THydrogen-bonded Turntrans-76.1-2.9172.600000113.7E217 M219 S223E217-A221 WeakPolarHBondContact O-CB 3.37Å; E217-A221 PolarHBondContact O-N 3.38Å; M219-A221 VanDerWaalsContact C-N 3.27Å; M219-A221 PolarHBondContact O-N 2.8Å; A221-S223 PolarHBondContact O-N 3.37Å
222G95.3Very high97.9Very high59 Ų5945.8 Ų45.861%0.60826%0.258SS*.THydrogen-bonded Turntrans68.914.1-177.600000114.3L218 M219 S220L218-G222 PolarHBondContact O-N 3.46Å; M219-G222 PolarHBondContact O-N 3Å; S220-G222 PolarHBondContact O-N 3.39Å
223S94Very high97.9Very high65 Ų6545.6 Ų45.646%0.45526%0.257SS..SBendtrans-81.7-29.7-177.9-61.10000112.4L218 A221L218-S223 PolarHBondContact O-N 3.29Å; A221-S223 PolarHBondContact O-N 3.37Å
224L96.4Very high97.8Very high11 Ų1143.2 Ų43.26%0.05824%0.242CC..  trans-130.7141.2177.1-74.3178000111L167 L170 E171 E174 L215 L218 M219L167-L224 HydrophobicContact CD2-CD1 4.14Å; L170-L224 HydrophobicContact CB-CD1 4.34Å; L170-L224 HydrophobicContact CB-CD2 4.48Å; E171-L224 HydrophobicContact CB-CD2 4.44Å; E171-L224 HydrophobicContact CG-CD1 4.49Å; E171-L224 HydrophobicContact CG-CD2 3.83Å; E174-L224 HydrophobicContact CB-CD2 4.01Å; E174-L224 HydrophobicContact CG-CD2 4.38Å; L215-L224 HydrophobicContact CD1-CD1 4.43Å; L218-L224 HydrophobicContact CB-CB 4.37Å; L218-L224 HydrophobicContact CB-CD1 4Å; L218-L224 HydrophobicContact CB-CG 4.31Å; L218-L224 HydrophobicContact CD1-CD1 3.75Å; L218-L224 PolarHBondContact O-N 3.03Å; M219-L224 WeakPolarHBondContact CA-O 3.43Å
225K97.2Very high97.4Very high136 Ų13644.4 Ų44.459%0.59125%0.252SS*.  trans-114.9104.1170.3-171.9176.2179.9175.30110.6E174 S186E174-K225 WeakPolarHBondContact OE2-CB 3.38Å; E174-K225 PolarHBondContact OE2-N 3.34Å; E174-K225 VanDerWaalsContact OE2-N 3.14Å; S186-K225 WeakPolarHBondContact CB-O 3.22Å
226V98.4Very high96.8Very high9 Ų947.8 Ų47.86%0.05529%0.287CS..  trans-110.1137.7172-174.10000108.6L170 L215 M219 N228 L255L170-V226 HydrophobicContact CD1-CG2 4Å; L170-V226 HydrophobicContact CD2-CG2 3.97Å; L170-V226 HydrophobicContact CG-CG2 4.47Å; L215-V226 HydrophobicContact CD1-CG2 3.83Å; M219-V226 WeakPolarHBondContact CE-O 3.39Å; M219-V226 HydrophobicContact SD-CB 4Å; V226-N228 WeakPolarHBondContact CG1-O 3.49Å; V226-L255 HydrophobicContact CB-CD2 4.09Å; V226-L255 HydrophobicContact CG1-CD2 3.96Å; V226-L255 WeakPolarHBondContact O-CD2 3.27Å
227Q98.5Very high96.6Very high42 Ų4244 Ų4420%0.19627%0.273CS..  trans-107.4-34.5-175.3-59.1-170-60.500112S185 S186 N256S185-Q227 PolarHBondContact OG-OE1 2.99Å; S186-Q227 PolarHBondContact O-N 2.8Å; Q227-N256 PolarHBondContact O-N 3.47Å; Q227-N256 PolarHBondContact O-ND2 2.83Å
228N98.8Very high96.6Very high0 Ų039 Ų390%025%0.249CC..EExtended strand (participates in β ladder)trans-129.2157.8-172.9-34.9-60.8000112S185 S186 T187 Y188 V226 N256 N258S185-N228 PolarHBondContact OG-ND2 2.97Å; S185-N228 VanDerWaalsContact OG-ND2 3.14Å; S186-N228 PolarHBondContact O-N 3.47Å; T187-N228 WeakPolarHBondContact CA-O 3.45Å; T187-N228 HydrophobicContact CG2-CB 3.97Å; T187-N228 WeakPolarHBondContact OG1-CB 3.4Å; T187-N228 PolarHBondContact OG1-ND2 2.96Å; Y188-N228 PolarHBondContact N-O 3.3Å; V226-N228 WeakPolarHBondContact CG1-O 3.49Å; N228-N256 CarbonylContact C-O 3.54Å; N228-N256 WeakPolarHBondContact CA-O 3.43Å; N228-N256 HydrophobicContact CB-CB 4.47Å; N228-N256 WeakPolarHBondContact CB-O 3.34Å; N228-N256 WeakPolarHBondContact OD1-CB 2.97Å; N228-N256 PolarHBondContact OD1-ND2 3.13Å; N228-N258 HydrophobicContact CB-CB 3.95Å
229I98.9Very high96.5Very high0 Ų041.6 Ų41.60%026%0.263CS..EExtended strand (participates in β ladder)trans-119.2138.5169.9-174.9163000109.8Y188 L212 V246 L247 L255 N256 I257 N258Y188-I229 HydrophobicContact CD1-CD1 4.3Å; Y188-I229 HydrophobicContact CD1-CG1 4.16Å; Y188-I229 WeakPolarHBondContact O-CA 3.43Å; L212-I229 HydrophobicContact CD1-CD1 4.21Å; L212-I229 HydrophobicContact CD2-CD1 3.91Å; I229-V246 HydrophobicContact CD1-CG1 3.83Å; I229-V246 WeakPolarHBondContact CD1-O 3.22Å; I229-V246 HydrophobicContact CG1-CG1 4.46Å; I229-L247 HydrophobicContact CG1-CD2 4.39Å; I229-L247 HydrophobicContact CG2-CD2 4.07Å; I229-L255 HydrophobicContact CB-CB 4.17Å; I229-L255 HydrophobicContact CB-CD1 3.95Å; I229-L255 HydrophobicContact CG2-CB 4.1Å; I229-N256 PolarHBondContact N-O 2.56Å; I229-I257 HydrophobicContact CG2-CG1 4.22Å; I229-N258 CarbonylContact C-O 3.52Å; I229-N258 CarbonylContact O-C 3.55Å; I229-N258 PolarHBondContact O-N 3.22Å
230D98.9Very high96.5Very high0 Ų042.2 Ų42.20%027%0.267CS..EExtended strand (participates in β ladder)trans-132.8149-175.9-164.7-24.4000110.7K156 T187 Y188 C189 N258 F259 H260K156-D230 WeakPolarHBondContact CD-OD2 3.47Å; K156-D230 WeakPolarHBondContact CE-OD2 3.38Å; K156-D230 IonicContact NZ-OD2 2.59Å; K156-D230 PolarHBondContact NZ-OD2 3.24Å; T187-D230 HydrophobicContact CG2-CB 3.6Å; Y188-D230 PolarHBondContact O-N 2.93Å; C189-D230 HydrophobicContact CB-CB 3.88Å; D230-N258 VanDerWaalsContact CA-O 3.25Å; D230-N258 WeakPolarHBondContact CA-O 3.49Å; D230-N258 WeakPolarHBondContact CB-O 3.31Å; D230-F259 WeakPolarHBondContact OD1-CA 3.43Å; D230-H260 VanDerWaalsContact CG-ND1 3.26Å; D230-H260 IonicContact OD1-CE1 3.06Å; D230-H260 IonicContact OD1-CG 3.23Å; D230-H260 PolarHBondContact OD1-N 2.76Å; D230-H260 VanDerWaalsContact OD1-N 3.15Å; D230-H260 IonicContact OD1-ND1 2.87Å; D230-H260 PolarHBondContact OD1-ND1 3.4Å; D230-H260 IonicContact OD2-CE1 2.66Å; D230-H260 PolarHBondContact OD2-CE1 3.32Å; D230-H260 IonicContact OD2-ND1 3.88Å; D230-H260 PolarHBondContact OD2-ND1 3.45Å
231V98.8Very high96.6Very high0 Ų043.4 Ų43.40%027%0.266CS..EExtended strand (participates in β ladder)trans-142.7140.4175.8179.20000107.1A191 C233 F238 T243 V246 L247 H260A191-V231 HydrophobicContact CB-CB 4.24Å; A191-V231 HydrophobicContact CB-CG1 3.94Å; A191-V231 HydrophobicContact CB-CG2 3.96Å; V231-C233 PolarHBondContact O-N 2.95Å; V231-F238 HydrophobicContact CG1-CB 3.72Å; V231-F238 HydrophobicContact CG1-CD2 4.26Å; V231-F238 HydrophobicContact CG1-CG 3.99Å; V231-T243 HydrophobicContact CB-CG2 4.04Å; V231-T243 HydrophobicContact CG1-CG2 3.96Å; V231-T243 WeakPolarHBondContact CG1-OG1 3.37Å; V231-T243 HydrophobicContact CG2-CG2 4.47Å; V231-V246 HydrophobicContact CG2-CB 3.83Å; V231-V246 HydrophobicContact CG2-CG1 3.52Å; V231-L247 HydrophobicContact CB-CD2 4.38Å; V231-L247 HydrophobicContact CG2-CD2 3.71Å; V231-L247 HydrophobicContact CG2-CG 3.95Å; V231-H260 PolarHBondContact O-N 3.22Å; V231-H260 VanDerWaalsContact O-N 3.15Å
232F98.6Very high96.6Very high28 Ų2840.7 Ų40.712%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-84.894.1167.1-171.6-158.4000111.2A191 H192 E234 V237 F238 H260 E263A191-F232 PolarHBondContact O-N 2.93Å; H192-F232 WeakPolarHBondContact O-CB 3.35Å; H192-F232 WeakPolarHBondContact O-CD1 3.47Å; F232-E234 HydrophobicContact CD1-CB 4.47Å; F232-E234 HydrophobicContact CD2-CB 3.9Å; F232-E234 HydrophobicContact CE1-CB 4.2Å; F232-E234 HydrophobicContact CE1-CG 4.36Å; F232-E234 HydrophobicContact CE2-CB 3.6Å; F232-E234 HydrophobicContact CE2-CG 4Å; F232-E234 HydrophobicContact CG-CB 4.33Å; F232-E234 HydrophobicContact CZ-CB 3.76Å; F232-E234 HydrophobicContact CZ-CG 3.78Å; F232-E234 PolarHBondContact O-N 3.44Å; F232-V237 HydrophobicContact CB-CG1 4.08Å; F232-V237 HydrophobicContact CD1-CB 4.24Å; F232-V237 HydrophobicContact CD1-CG1 3.79Å; F232-V237 HydrophobicContact CD1-CG2 4.04Å; F232-V237 HydrophobicContact CE1-CG2 4.08Å; F232-V237 HydrophobicContact CG-CG1 4.2Å; F232-F238 PolarHBondContact O-N 3.33Å; F232-H260 HydrophobicContact CD2-CB 3.66Å; F232-H260 HydrophobicContact CE2-CB 4.35Å; F232-H260 HydrophobicContact CG-CB 4.44Å; F232-E263 HydrophobicContact CE2-CB 4.22Å; F232-E263 WeakPolarHBondContact CE2-OE2 3.25Å; F232-E263 WeakPolarHBondContact CZ-OE2 3.49Å
233C98.4Very high96.8Very high0 Ų037.9 Ų37.90%021%0.213CC..EExtended strand (participates in β ladder)trans-81.694.4-179.4-168.70000110.5V231 F238 T243 F259 H260 A269V231-C233 PolarHBondContact O-N 2.95Å; C233-F238 CarbonylContact C-O 3.6Å; C233-F238 WeakPolarHBondContact CA-O 3.34Å; C233-T243 HydrophobicContact CB-CG2 3.79Å; C233-T243 PolarHBondContact SG-OG1 3.44Å; C233-T243 VanDerWaalsContact SG-OG1 3.33Å; C233-F259 HydrophobicContact CB-CD2 4.07Å; C233-F259 HydrophobicContact CB-CE2 3.82Å; C233-H260 WeakPolarHBondContact CB-O 3.26Å; C233-H260 PolarHBondContact N-O 2.95Å; C233-A269 HydrophobicContact CB-CB 4.25Å
234E95.5Very high97Very high2 Ų239 Ų391%0.00921%0.208CC..  trans-154.9149.3-170.7-172.551.5-95.700111.6F232 G236 V237 F238 L264 H265F232-E234 HydrophobicContact CD1-CB 4.47Å; F232-E234 HydrophobicContact CD2-CB 3.9Å; F232-E234 HydrophobicContact CE1-CB 4.2Å; F232-E234 HydrophobicContact CE1-CG 4.36Å; F232-E234 HydrophobicContact CE2-CB 3.6Å; F232-E234 HydrophobicContact CE2-CG 4Å; F232-E234 HydrophobicContact CG-CB 4.33Å; F232-E234 HydrophobicContact CZ-CB 3.76Å; F232-E234 HydrophobicContact CZ-CG 3.78Å; F232-E234 PolarHBondContact O-N 3.44Å; E234-G236 PolarHBondContact O-N 2.92Å; E234-V237 HydrophobicContact CB-CB 4.2Å; E234-V237 HydrophobicContact CB-CG2 4.2Å; E234-V237 HydrophobicContact CG-CG2 4.49Å; E234-V237 PolarHBondContact O-N 3.13Å; E234-F238 PolarHBondContact N-O 3.42Å; E234-F238 PolarHBondContact O-N 2.95Å; E234-L264 HydrophobicContact CG-CB 4.46Å; E234-L264 HydrophobicContact CG-CD1 4.3Å; E234-L264 WeakPolarHBondContact OE2-CA 3.34Å; E234-L264 VanDerWaalsContact OE2-CB 3.29Å; E234-L264 WeakPolarHBondContact OE2-CB 3.41Å; E234-L264 PolarHBondContact OE2-N 3.45Å; E234-H265 WeakPolarHBondContact OE1-CB 3.44Å; E234-H265 IonicContact OE1-CE1 2.75Å; E234-H265 IonicContact OE1-CG 2.75Å; E234-H265 PolarHBondContact OE1-N 2.75Å; E234-H265 IonicContact OE1-ND1 2.78Å; E234-H265 PolarHBondContact OE1-ND1 3.21Å; E234-H265 PolarHBondContact OE2-N 3.1Å
235Q91.1Very high97.2Very high129 Ų12940.3 Ų40.360%0.60322%0.22SC*.THydrogen-bonded Turntrans-58.1122.5176.5-175.8176.4-22.900110.7V237 H265 M267Q235-V237 VanDerWaalsContact C-N 3.3Å; Q235-H265 HydrophobicContact CB-CB 4.43Å; Q235-M267 HydrophobicContact CB-SD 4.02Å
236G86.4Confident97.2Very high73 Ų7333.9 Ų33.975%0.75319%0.192SC*.THydrogen-bonded Turntrans81.64.7-177.900000114.6E234E234-G236 PolarHBondContact O-N 2.92Å
237V94.4Very high97.3Very high26 Ų2633.4 Ų33.416%0.15819%0.189CC..SBendtrans-116-91.3175-174.30000110.4V194 V200 F232 E234 Q235V194-V237 WeakPolarHBondContact CG2-O 3.3Å; V200-V237 WeakPolarHBondContact CG2-O 3.39Å; F232-V237 HydrophobicContact CB-CG1 4.08Å; F232-V237 HydrophobicContact CD1-CB 4.24Å; F232-V237 HydrophobicContact CD1-CG1 3.79Å; F232-V237 HydrophobicContact CD1-CG2 4.04Å; F232-V237 HydrophobicContact CE1-CG2 4.08Å; F232-V237 HydrophobicContact CG-CG1 4.2Å; E234-V237 HydrophobicContact CB-CB 4.2Å; E234-V237 HydrophobicContact CB-CG2 4.2Å; E234-V237 HydrophobicContact CG-CG2 4.49Å; E234-V237 PolarHBondContact O-N 3.13Å; Q235-V237 VanDerWaalsContact C-N 3.3Å
238F97.6Very high97.3Very high1 Ų134.5 Ų34.50%0.00420%0.196CC..BIsolated β-bridgetrans-121.5124167.2-70.6-93.5000108.7A191 V200 A203 V231 F232 C233 E234 T243A191-F238 VanDerWaalsContact CA-CE2 3.49Å; A191-F238 HydrophobicContact CB-CD1 4.36Å; A191-F238 HydrophobicContact CB-CD2 4.07Å; A191-F238 HydrophobicContact CB-CE1 4Å; A191-F238 HydrophobicContact CB-CE2 3.72Å; A191-F238 HydrophobicContact CB-CG 4.4Å; A191-F238 HydrophobicContact CB-CZ 3.68Å; A191-F238 VanDerWaalsContact O-CD2 3.26Å; A191-F238 WeakPolarHBondContact O-CD2 3.27Å; A191-F238 VanDerWaalsContact O-CE2 3.29Å; A191-F238 WeakPolarHBondContact O-CE2 3.47Å; V200-F238 HydrophobicContact CG1-CD1 4.22Å; A203-F238 HydrophobicContact CB-CE1 4.09Å; A203-F238 HydrophobicContact CB-CZ 3.97Å; V231-F238 HydrophobicContact CG1-CB 3.72Å; V231-F238 HydrophobicContact CG1-CD2 4.26Å; V231-F238 HydrophobicContact CG1-CG 3.99Å; F232-F238 PolarHBondContact O-N 3.33Å; C233-F238 CarbonylContact C-O 3.6Å; C233-F238 WeakPolarHBondContact CA-O 3.34Å; E234-F238 PolarHBondContact N-O 3.42Å; E234-F238 PolarHBondContact O-N 2.95Å; F238-T243 PolarHBondContact O-OG1 2.86Å
239D97.1Very high97.3Very high75 Ų7535.6 Ų35.640%0.40121%0.205SC..  trans-73.2178.2176.364.633.3000111.9D241 S242 T243D239-D241 VanDerWaalsContact C-N 3.31Å; D239-D241 PolarHBondContact O-N 3.14Å; D239-D241 PolarHBondContact OD1-N 3.02Å; D239-D241 VanDerWaalsContact OD1-N 3.07Å; D239-S242 WeakPolarHBondContact OD1-CB 3.36Å; D239-S242 PolarHBondContact OD1-N 3.34Å; D239-T243 WeakPolarHBondContact O-CB 3.27Å; D239-T243 PolarHBondContact O-N 2.63Å; D239-T243 PolarHBondContact O-OG1 3.4Å
240L98.1Very high97.3Very high59 Ų5935.6 Ų35.631%0.30921%0.205SC..Hα-helixtrans-60.9-36.9-178.5-73.8173.4000113.4R244 M267 M272L240-R244 WeakPolarHBondContact O-CB 3.33Å; L240-R244 PolarHBondContact O-N 2.82Å; L240-M267 WeakPolarHBondContact CD1-O 3.35Å; L240-M267 WeakPolarHBondContact CD2-O 3.07Å; L240-M272 HydrophobicContact CD2-CB 4.13Å; L240-M272 HydrophobicContact CD2-CE 4.47Å; L240-M272 HydrophobicContact CD2-CG 4.33Å
241D98.4Very high97.2Very high125 Ų12540.2 Ų40.267%0.66823%0.225SC*.Hα-helixtrans-75-47.1-175.2-74.6-22.7000110.5D239 T243 R244 A245D239-D241 VanDerWaalsContact C-N 3.31Å; D239-D241 PolarHBondContact O-N 3.14Å; D239-D241 PolarHBondContact OD1-N 3.02Å; D239-D241 VanDerWaalsContact OD1-N 3.07Å; D241-T243 VanDerWaalsContact C-N 3.34Å; D241-T243 PolarHBondContact O-N 3.14Å; D241-R244 PolarHBondContact O-N 2.55Å; D241-A245 WeakPolarHBondContact O-CB 3.45Å; D241-A245 PolarHBondContact O-N 3.38Å
242S98.6Very high97.2Very high14 Ų1448 Ų4810%0.09826%0.262CS..Hα-helixtrans-59.7-44.8172.2-800000112T204 D239 A245 V246T204-S242 VanDerWaalsContact OG1-CB 3.24Å; T204-S242 WeakPolarHBondContact OG1-CB 3.32Å; T204-S242 PolarHBondContact OG1-OG 2.94Å; D239-S242 WeakPolarHBondContact OD1-CB 3.36Å; D239-S242 PolarHBondContact OD1-N 3.34Å; S242-A245 PolarHBondContact O-N 2.72Å; S242-V246 WeakPolarHBondContact O-CG2 3.11Å; S242-V246 PolarHBondContact O-N 2.63Å
243T98.8Very high97.1Very high0 Ų048.3 Ų48.30%026%0.264CS..Hα-helixtrans-59.5-50.3176.9-62.50000110.7V231 C233 F238 D239 D241 A245 V246 L247 F259 M272V231-T243 HydrophobicContact CB-CG2 4.04Å; V231-T243 HydrophobicContact CG1-CG2 3.96Å; V231-T243 WeakPolarHBondContact CG1-OG1 3.37Å; V231-T243 HydrophobicContact CG2-CG2 4.47Å; C233-T243 HydrophobicContact CB-CG2 3.79Å; C233-T243 PolarHBondContact SG-OG1 3.44Å; C233-T243 VanDerWaalsContact SG-OG1 3.33Å; F238-T243 PolarHBondContact O-OG1 2.86Å; D239-T243 WeakPolarHBondContact O-CB 3.27Å; D239-T243 PolarHBondContact O-N 2.63Å; D239-T243 PolarHBondContact O-OG1 3.4Å; D241-T243 VanDerWaalsContact C-N 3.34Å; D241-T243 PolarHBondContact O-N 3.14Å; T243-A245 VanDerWaalsContact C-N 3.3Å; T243-A245 PolarHBondContact O-N 2.58Å; T243-V246 PolarHBondContact O-N 3.25Å; T243-L247 HydrophobicContact CG2-CD1 3.59Å; T243-L247 HydrophobicContact CG2-CG 4.12Å; T243-L247 WeakPolarHBondContact O-CB 3.41Å; T243-L247 VanDerWaalsContact O-CG 3.24Å; T243-L247 WeakPolarHBondContact O-CG 3.43Å; T243-L247 PolarHBondContact O-N 2.98Å; T243-F259 HydrophobicContact CG2-CD2 4.17Å; T243-F259 HydrophobicContact CG2-CE2 4.1Å; T243-M272 HydrophobicContact CG2-CE 3.47Å; T243-M272 VanDerWaalsContact CG2-CE 3.47Å
244R98.8Very high97.1Very high90 Ų9051.3 Ų51.334%0.3429%0.294SS..Hα-helixtrans-57-44.7178.6179.1-176.1-62.1-843.7111.4L240 D241 L248 L276L240-R244 WeakPolarHBondContact O-CB 3.33Å; L240-R244 PolarHBondContact O-N 2.82Å; D241-R244 PolarHBondContact O-N 2.55Å; R244-L248 HydrophobicContact CG-CD1 3.84Å; R244-L248 HydrophobicContact CG-CG 4.43Å; R244-L248 VanDerWaalsContact O-CB 3.31Å; R244-L248 WeakPolarHBondContact O-CB 3.25Å; R244-L248 VanDerWaalsContact O-CG 3.3Å; R244-L248 WeakPolarHBondContact O-CG 3.46Å; R244-L248 PolarHBondContact O-N 3.27Å; R244-L276 HydrophobicContact CG-CD1 4.15Å; R244-L276 HydrophobicContact CG-CD2 4.28Å
245A98.8Very high97.2Very high38 Ų3851.4 Ų51.431%0.31430%0.295SS..Hα-helixtrans-61.7-49.4-179.500000112L208 D241 S242 T243 L248 A249L208-A245 HydrophobicContact CD1-CB 4.11Å; D241-A245 WeakPolarHBondContact O-CB 3.45Å; D241-A245 PolarHBondContact O-N 3.38Å; S242-A245 PolarHBondContact O-N 2.72Å; T243-A245 VanDerWaalsContact C-N 3.3Å; T243-A245 PolarHBondContact O-N 2.58Å; A245-L248 PolarHBondContact O-N 3.03Å; A245-A249 WeakPolarHBondContact O-CB 3.35Å; A245-A249 PolarHBondContact O-N 2.89Å
246V98.9Very high97.6Very high0 Ų048.5 Ų48.50%028%0.284CS..Hα-helixtrans-63.7-47.1179.9172.90000111.3A191 T204 V207 L208 I229 V231 S242 T243 L248 A249 G250A191-V246 HydrophobicContact CB-CG1 4.41Å; T204-V246 HydrophobicContact CG2-CG2 4.13Å; V207-V246 HydrophobicContact CB-CG2 4.33Å; V207-V246 HydrophobicContact CG1-CB 4.44Å; V207-V246 HydrophobicContact CG1-CG1 3.72Å; V207-V246 HydrophobicContact CG1-CG2 3.86Å; L208-V246 HydrophobicContact CD2-CG2 4.27Å; L208-V246 HydrophobicContact CG-CG2 4.38Å; I229-V246 HydrophobicContact CD1-CG1 3.83Å; I229-V246 WeakPolarHBondContact CD1-O 3.22Å; I229-V246 HydrophobicContact CG1-CG1 4.46Å; V231-V246 HydrophobicContact CG2-CB 3.83Å; V231-V246 HydrophobicContact CG2-CG1 3.52Å; S242-V246 WeakPolarHBondContact O-CG2 3.11Å; S242-V246 PolarHBondContact O-N 2.63Å; T243-V246 PolarHBondContact O-N 3.25Å; V246-L248 PolarHBondContact O-N 3.08Å; V246-A249 PolarHBondContact O-N 3.1Å; V246-G250 PolarHBondContact O-N 3.08Å
247L98.9Very high98.2Very high0 Ų045.2 Ų45.20%025%0.249CC..Hα-helixtrans-63.6-40.8-179.2-67.8-179.6000112.4I229 V231 T243 G250 K251 I257 F259 M272 L276I229-L247 HydrophobicContact CG1-CD2 4.39Å; I229-L247 HydrophobicContact CG2-CD2 4.07Å; V231-L247 HydrophobicContact CB-CD2 4.38Å; V231-L247 HydrophobicContact CG2-CD2 3.71Å; V231-L247 HydrophobicContact CG2-CG 3.95Å; T243-L247 HydrophobicContact CG2-CD1 3.59Å; T243-L247 HydrophobicContact CG2-CG 4.12Å; T243-L247 WeakPolarHBondContact O-CB 3.41Å; T243-L247 VanDerWaalsContact O-CG 3.24Å; T243-L247 WeakPolarHBondContact O-CG 3.43Å; T243-L247 PolarHBondContact O-N 2.98Å; L247-G250 PolarHBondContact O-N 3.31Å; L247-K251 WeakPolarHBondContact O-CB 3.48Å; L247-K251 PolarHBondContact O-N 3.36Å; L247-I257 HydrophobicContact CB-CD1 4Å; L247-I257 HydrophobicContact CB-CG1 4.06Å; L247-I257 HydrophobicContact CB-CG2 4.4Å; L247-I257 HydrophobicContact CD1-CG2 3.81Å; L247-I257 HydrophobicContact CD2-CG1 4.49Å; L247-I257 HydrophobicContact CD2-CG2 4Å; L247-I257 HydrophobicContact CG-CG2 4.28Å; L247-F259 HydrophobicContact CD1-CB 4.43Å; L247-F259 HydrophobicContact CD1-CD1 3.77Å; L247-F259 HydrophobicContact CD1-CD2 4.1Å; L247-F259 HydrophobicContact CD1-CE1 3.99Å; L247-F259 HydrophobicContact CD1-CE2 4.32Å; L247-F259 HydrophobicContact CD1-CG 3.84Å; L247-F259 HydrophobicContact CD1-CZ 4.27Å; L247-F259 HydrophobicContact CD2-CB 4.11Å; L247-F259 HydrophobicContact CD2-CG 4.41Å; L247-M272 HydrophobicContact CD1-CE 4.17Å; L247-M272 HydrophobicContact CD1-SD 4.47Å; L247-L276 HydrophobicContact CB-CD1 4.21Å; L247-L276 HydrophobicContact CD1-CD1 4.38Å
248L98.9Very high98.4Very high65 Ų6544 Ų4434%0.3424%0.241SC..Hα-helixtrans-63.8-43.9175.3-78.8174.4000111.8R244 A245 V246 G250 K251 E252 L276R244-L248 HydrophobicContact CG-CD1 3.84Å; R244-L248 HydrophobicContact CG-CG 4.43Å; R244-L248 VanDerWaalsContact O-CB 3.31Å; R244-L248 WeakPolarHBondContact O-CB 3.25Å; R244-L248 VanDerWaalsContact O-CG 3.3Å; R244-L248 WeakPolarHBondContact O-CG 3.46Å; R244-L248 PolarHBondContact O-N 3.27Å; A245-L248 PolarHBondContact O-N 3.03Å; V246-L248 PolarHBondContact O-N 3.08Å; L248-G250 PolarHBondContact O-N 3.24Å; L248-K251 WeakPolarHBondContact O-CB 3.45Å; L248-K251 PolarHBondContact O-N 2.87Å; L248-K251 VanDerWaalsContact O-N 3.16Å; L248-E252 WeakPolarHBondContact O-CG 3.48Å; L248-E252 PolarHBondContact O-N 3.18Å; L248-L276 HydrophobicContact CD1-CD2 4.25Å; L248-L276 HydrophobicContact CD2-CD2 3.76Å; L248-L276 HydrophobicContact CG-CD1 4.45Å; L248-L276 HydrophobicContact CG-CD2 3.99Å
249A98.8Very high98.4Very high23 Ų2343.9 Ų43.919%0.1924%0.241CC..Hα-helixtrans-60.9-43177.200000112.1L208 L212 A245 V246 E252 M253L208-A249 HydrophobicContact CD2-CB 3.58Å; L212-A249 HydrophobicContact CD1-CB 3.63Å; A245-A249 WeakPolarHBondContact O-CB 3.35Å; A245-A249 PolarHBondContact O-N 2.89Å; V246-A249 PolarHBondContact O-N 3.1Å; A249-E252 PolarHBondContact O-N 2.91Å; A249-M253 WeakPolarHBondContact O-CG 3.35Å; A249-M253 PolarHBondContact O-N 3.49Å
250G98.6Very high98.5Very high0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-64.2-39.3173.600000113.1V246 L247 L248 E252 M253 G254 L255V246-G250 PolarHBondContact O-N 3.08Å; L247-G250 PolarHBondContact O-N 3.31Å; L248-G250 PolarHBondContact O-N 3.24Å; G250-E252 VanDerWaalsContact C-N 3.34Å; G250-E252 PolarHBondContact O-N 2.86Å; G250-M253 WeakPolarHBondContact O-CA 3.21Å; G250-M253 WeakPolarHBondContact O-CB 3.47Å; G250-M253 PolarHBondContact O-N 2.91Å; G250-G254 PolarHBondContact O-N 2.87Å; G250-L255 WeakPolarHBondContact O-CB 3.36Å; G250-L255 PolarHBondContact O-N 2.94Å
251K98.6Very high98.5Very high97 Ų9737.7 Ų37.742%0.42221%0.208SC..Hα-helixtrans-62-40.1175.9-172.8179-177.4177.90112.3L247 L248 M253 G254 I257 L276L247-K251 WeakPolarHBondContact O-CB 3.48Å; L247-K251 PolarHBondContact O-N 3.36Å; L248-K251 WeakPolarHBondContact O-CB 3.45Å; L248-K251 PolarHBondContact O-N 2.87Å; L248-K251 VanDerWaalsContact O-N 3.16Å; K251-M253 PolarHBondContact O-N 3.35Å; K251-G254 PolarHBondContact O-N 3.3Å; K251-I257 HydrophobicContact CB-CD1 4.14Å; K251-I257 HydrophobicContact CB-CG1 4.31Å; K251-I257 HydrophobicContact CD-CD1 3.93Å; K251-I257 HydrophobicContact CG-CD1 4.49Å; K251-L276 PolarHBondContact NZ-O 2.88Å
252E98.2Very high98.5Very high164 Ų16431.8 Ų31.877%0.76618%0.176SC*.Hα-helixtrans-63.4-22.4174.3-71.6177.3178.500113.1L248 A249 G250 G254L248-E252 WeakPolarHBondContact O-CG 3.48Å; L248-E252 PolarHBondContact O-N 3.18Å; A249-E252 PolarHBondContact O-N 2.91Å; G250-E252 VanDerWaalsContact C-N 3.34Å; G250-E252 PolarHBondContact O-N 2.86Å; E252-G254 VanDerWaalsContact C-N 3.31Å
253M96.3Very high98.4Very high34 Ų3431.9 Ų31.917%0.16718%0.175CC..THydrogen-bonded Turntrans-84.6-3.4172.3-62.2168.242.400113.3L212 L215 K216 M219 A249 G250 K251 L255L212-M253 HydrophobicContact CB-SD 3.9Å; L212-M253 HydrophobicContact CD2-CE 4.44Å; L212-M253 HydrophobicContact CD2-SD 4.25Å; L212-M253 WeakPolarHBondContact O-CE 3.24Å; L215-M253 HydrophobicContact CB-CE 4.33Å; L215-M253 HydrophobicContact CD2-CE 4.31Å; L215-M253 HydrophobicContact CG-CE 4.17Å; K216-M253 HydrophobicContact CB-CE 3.62Å; K216-M253 HydrophobicContact CB-CG 4.34Å; K216-M253 HydrophobicContact CB-SD 4.11Å; K216-M253 HydrophobicContact CD-CG 3.94Å; K216-M253 HydrophobicContact CG-CE 4.24Å; K216-M253 HydrophobicContact CG-CG 4.09Å; M219-M253 HydrophobicContact SD-CE 4.5Å; A249-M253 WeakPolarHBondContact O-CG 3.35Å; A249-M253 PolarHBondContact O-N 3.49Å; G250-M253 WeakPolarHBondContact O-CA 3.21Å; G250-M253 WeakPolarHBondContact O-CB 3.47Å; G250-M253 PolarHBondContact O-N 2.91Å; K251-M253 PolarHBondContact O-N 3.35Å; M253-L255 HydrophobicContact CE-CD1 4.36Å
254G97.8Very high98.1Very high62 Ų6235.5 Ų35.564%0.63919%0.194SC*.THydrogen-bonded Turntrans87.214.6-177.100000114.7G250 K251 E252G250-G254 PolarHBondContact O-N 2.87Å; K251-G254 PolarHBondContact O-N 3.3Å; E252-G254 VanDerWaalsContact C-N 3.31Å
255L98.7Very high97.9Very high5 Ų534.7 Ų34.73%0.02619%0.194CC..  trans-81.2144.3173-59176.2000110.8L215 M219 V226 I229 G250 M253L215-L255 HydrophobicContact CD2-CD1 4.39Å; M219-L255 HydrophobicContact CE-CD2 3.61Å; M219-L255 HydrophobicContact CE-CG 4.48Å; M219-L255 HydrophobicContact SD-CD2 4.04Å; V226-L255 HydrophobicContact CB-CD2 4.09Å; V226-L255 HydrophobicContact CG1-CD2 3.96Å; V226-L255 WeakPolarHBondContact O-CD2 3.27Å; I229-L255 HydrophobicContact CB-CB 4.17Å; I229-L255 HydrophobicContact CB-CD1 3.95Å; I229-L255 HydrophobicContact CG2-CB 4.1Å; G250-L255 WeakPolarHBondContact O-CB 3.36Å; G250-L255 PolarHBondContact O-N 2.94Å; M253-L255 HydrophobicContact CE-CD1 4.36Å
256N98.8Very high97.8Very high67 Ų6736.8 Ų36.836%0.35820%0.204SC..EExtended strand (participates in β ladder)trans-75.1138.5169.4-55.7-54.1000109.9Q227 N228 I229 N258 L279Q227-N256 PolarHBondContact O-N 3.47Å; Q227-N256 PolarHBondContact O-ND2 2.83Å; N228-N256 CarbonylContact C-O 3.54Å; N228-N256 WeakPolarHBondContact CA-O 3.43Å; N228-N256 HydrophobicContact CB-CB 4.47Å; N228-N256 WeakPolarHBondContact CB-O 3.34Å; N228-N256 WeakPolarHBondContact OD1-CB 2.97Å; N228-N256 PolarHBondContact OD1-ND2 3.13Å; I229-N256 PolarHBondContact N-O 2.56Å; N256-N258 PolarHBondContact O-N 2.79Å; N256-L279 HydrophobicContact CB-CB 4.23Å; N256-L279 HydrophobicContact CB-CD2 3.92Å
257I98.9Very high97.7Very high4 Ų438.3 Ų38.32%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-77.2114.1171.7-67.3170.3000108.3I229 L247 K251 F259 L276 A278 L279 A280I229-I257 HydrophobicContact CG2-CG1 4.22Å; L247-I257 HydrophobicContact CB-CD1 4Å; L247-I257 HydrophobicContact CB-CG1 4.06Å; L247-I257 HydrophobicContact CB-CG2 4.4Å; L247-I257 HydrophobicContact CD1-CG2 3.81Å; L247-I257 HydrophobicContact CD2-CG1 4.49Å; L247-I257 HydrophobicContact CD2-CG2 4Å; L247-I257 HydrophobicContact CG-CG2 4.28Å; K251-I257 HydrophobicContact CB-CD1 4.14Å; K251-I257 HydrophobicContact CB-CG1 4.31Å; K251-I257 HydrophobicContact CD-CD1 3.93Å; K251-I257 HydrophobicContact CG-CD1 4.49Å; I257-F259 HydrophobicContact CG2-CD1 3.72Å; I257-F259 HydrophobicContact CG2-CE1 4.16Å; I257-L276 HydrophobicContact CD1-CB 3.97Å; I257-L276 HydrophobicContact CD1-CD1 4.4Å; I257-A278 HydrophobicContact CB-CB 4.17Å; I257-A278 HydrophobicContact CG2-CB 3.53Å; I257-L279 PolarHBondContact O-N 3.48Å; I257-A280 PolarHBondContact O-N 3.12Å
258N98.5Very high97.6Very high0 Ų040.6 Ų40.60%022%0.224CC..EExtended strand (participates in β ladder)trans-140.4104.3175.6179.6-25.5000107.6N228 I229 D230 N256 A280 A373N228-N258 HydrophobicContact CB-CB 3.95Å; I229-N258 CarbonylContact C-O 3.52Å; I229-N258 CarbonylContact O-C 3.55Å; I229-N258 PolarHBondContact O-N 3.22Å; D230-N258 VanDerWaalsContact CA-O 3.25Å; D230-N258 WeakPolarHBondContact CA-O 3.49Å; D230-N258 WeakPolarHBondContact CB-O 3.31Å; N256-N258 PolarHBondContact O-N 2.79Å; N258-A280 WeakPolarHBondContact CA-O 3.5Å; N258-A280 HydrophobicContact CB-CB 4.42Å; N258-A373 PolarHBondContact ND2-O 2.76Å
259F98.9Very high97.6Very high0 Ų037.5 Ų37.50%021%0.208CC..EExtended strand (participates in β ladder)trans-140.8163.1-16680.3-74.9000115.9D230 C233 T243 L247 I257 A269 M272 A278 A280 I281 S282D230-F259 WeakPolarHBondContact OD1-CA 3.43Å; C233-F259 HydrophobicContact CB-CD2 4.07Å; C233-F259 HydrophobicContact CB-CE2 3.82Å; T243-F259 HydrophobicContact CG2-CD2 4.17Å; T243-F259 HydrophobicContact CG2-CE2 4.1Å; L247-F259 HydrophobicContact CD1-CB 4.43Å; L247-F259 HydrophobicContact CD1-CD1 3.77Å; L247-F259 HydrophobicContact CD1-CD2 4.1Å; L247-F259 HydrophobicContact CD1-CE1 3.99Å; L247-F259 HydrophobicContact CD1-CE2 4.32Å; L247-F259 HydrophobicContact CD1-CG 3.84Å; L247-F259 HydrophobicContact CD1-CZ 4.27Å; L247-F259 HydrophobicContact CD2-CB 4.11Å; L247-F259 HydrophobicContact CD2-CG 4.41Å; I257-F259 HydrophobicContact CG2-CD1 3.72Å; I257-F259 HydrophobicContact CG2-CE1 4.16Å; F259-A269 HydrophobicContact CE2-CB 4.02Å; F259-A269 HydrophobicContact CZ-CB 4.26Å; F259-M272 HydrophobicContact CE1-CE 4.39Å; F259-M272 HydrophobicContact CE2-CE 3.69Å; F259-M272 HydrophobicContact CZ-CE 3.5Å; F259-M272 VanDerWaalsContact CZ-CE 3.5Å; F259-A278 HydrophobicContact CE1-CB 4.26Å; F259-A280 PolarHBondContact N-O 2.99Å; F259-I281 HydrophobicContact CD1-CG1 4.14Å; F259-I281 HydrophobicContact CE1-CB 4.46Å; F259-I281 HydrophobicContact CE1-CD1 3.82Å; F259-I281 HydrophobicContact CE1-CG1 3.57Å; F259-I281 HydrophobicContact CE1-CG2 4.28Å; F259-I281 HydrophobicContact CZ-CD1 4.05Å; F259-I281 HydrophobicContact CZ-CG1 4.14Å; F259-I281 HydrophobicContact CZ-CG2 4.19Å; F259-I281 CarbonylContact O-C 3.57Å; F259-I281 VanDerWaalsContact O-CA 3.31Å; F259-I281 WeakPolarHBondContact O-CA 3.28Å; F259-S282 PolarHBondContact O-N 3.27Å
260H98.8Very high97.6Very high4 Ų436.4 Ų36.42%0.01920%0.199CC..EExtended strand (participates in β ladder)trans-84.1130.7176.7-56.661.1000110.1H87 H89 D230 V231 F232 C233 H283H87-H260 AromaticContact CE1-CD2 3.59Å; H87-H260 AromaticContact CE1-CE1 3.28Å; H87-H260 PolarHBondContact CE1-CE1 3.22Å; H87-H260 AromaticContact CE1-CG 3.95Å; H87-H260 AromaticContact CE1-ND1 3.79Å; H87-H260 AromaticContact CE1-NE2 3.1Å; H87-H260 PolarHBondContact CE1-NE2 3.22Å; H87-H260 AromaticContact NE2-CD2 3.7Å; H87-H260 AromaticContact NE2-CE1 3.55Å; H87-H260 AromaticContact NE2-NE2 2.99Å; H87-H260 PolarHBondContact NE2-NE2 3.37Å; H89-H260 AromaticContact CE1-CE1 3.61Å; H89-H260 AromaticContact CE1-NE2 3.57Å; H89-H260 AromaticContact NE2-CE1 3.46Å; H89-H260 PolarHBondContact NE2-CE1 2.57Å; H89-H260 AromaticContact NE2-NE2 3.02Å; H89-H260 PolarHBondContact NE2-NE2 3.39Å; D230-H260 VanDerWaalsContact CG-ND1 3.26Å; D230-H260 IonicContact OD1-CE1 3.06Å; D230-H260 IonicContact OD1-CG 3.23Å; D230-H260 PolarHBondContact OD1-N 2.76Å; D230-H260 VanDerWaalsContact OD1-N 3.15Å; D230-H260 IonicContact OD1-ND1 2.87Å; D230-H260 PolarHBondContact OD1-ND1 3.4Å; D230-H260 IonicContact OD2-CE1 2.66Å; D230-H260 PolarHBondContact OD2-CE1 3.32Å; D230-H260 IonicContact OD2-ND1 3.88Å; D230-H260 PolarHBondContact OD2-ND1 3.45Å; V231-H260 PolarHBondContact O-N 3.22Å; V231-H260 VanDerWaalsContact O-N 3.15Å; F232-H260 HydrophobicContact CD2-CB 3.66Å; F232-H260 HydrophobicContact CE2-CB 4.35Å; F232-H260 HydrophobicContact CG-CB 4.44Å; C233-H260 WeakPolarHBondContact CB-O 3.26Å; C233-H260 PolarHBondContact N-O 2.95Å; H260-H283 AromaticContact CD2-CD2 3.46Å; H260-H283 PolarHBondContact CD2-CD2 3.33Å; H260-H283 VanDerWaalsContact CD2-CD2 3.46Å; H260-H283 AromaticContact CD2-NE2 3.25Å; H260-H283 PolarHBondContact CD2-NE2 2.74Å; H260-H283 VanDerWaalsContact CD2-NE2 3.25Å; H260-H283 AromaticContact CG-CD2 3.97Å
261G98.1Very high97.6Very high0 Ų038.9 Ų38.90%021%0.21CC..EExtended strand (participates in β ladder)trans-157.4150178.900000113.7E263 S282 L284G261-E263 VanDerWaalsContact C-N 3.3Å; G261-E263 PolarHBondContact O-N 3.04Å; G261-S282 PolarHBondContact N-O 2.96Å; G261-S282 VanDerWaalsContact N-O 3.13Å; G261-S282 VanDerWaalsContact O-O 3.12Å; G261-L284 PolarHBondContact O-N 3.36Å
262D98Very high97.6Very high0 Ų034.6 Ų34.60%019%0.191CC..SBendtrans55.640179.1-53.1-43.7000113M267 N268 A269 A270 L284 E285 E286D262-M267 WeakPolarHBondContact OD1-CA 3.39Å; D262-M267 WeakPolarHBondContact OD1-CB 3.29Å; D262-M267 PolarHBondContact OD1-N 3.43Å; D262-N268 PolarHBondContact OD1-N 2.77Å; D262-A269 PolarHBondContact OD1-N 3.32Å; D262-A269 PolarHBondContact OD2-N 2.92Å; D262-A270 WeakPolarHBondContact OD2-CB 3.36Å; D262-A270 PolarHBondContact OD2-N 2.89Å; D262-L284 HydrophobicContact CB-CD2 4.46Å; D262-L284 CarbonylContact O-C 3.56Å; D262-L284 WeakPolarHBondContact O-CA 3.42Å; D262-E285 PolarHBondContact O-N 2.81Å; D262-E285 VanDerWaalsContact O-N 3.08Å; D262-E286 PolarHBondContact O-N 2.76Å
263E95.9Very high97.6Very high17 Ų1726.8 Ų26.88%0.07916%0.155CC..SBendtrans-81.8-50.4179.9-178-176.3-175.200112.6F232 G261 H283 E285 L314F232-E263 HydrophobicContact CE2-CB 4.22Å; F232-E263 WeakPolarHBondContact CE2-OE2 3.25Å; F232-E263 WeakPolarHBondContact CZ-OE2 3.49Å; G261-E263 VanDerWaalsContact C-N 3.3Å; G261-E263 PolarHBondContact O-N 3.04Å; E263-H283 HydrophobicContact CB-CB 3.63Å; E263-H283 VanDerWaalsContact CD-ND1 3.32Å; E263-H283 HydrophobicContact CG-CB 3.96Å; E263-H283 WeakPolarHBondContact CG-ND1 3.5Å; E263-H283 IonicContact OE1-CE1 3.9Å; E263-H283 PolarHBondContact OE1-CE1 2.89Å; E263-H283 IonicContact OE1-ND1 3.84Å; E263-H283 PolarHBondContact OE1-ND1 3.46Å; E263-H283 IonicContact OE2-CD2 2.76Å; E263-H283 IonicContact OE2-CE1 3.91Å; E263-H283 IonicContact OE2-ND1 3.45Å; E263-H283 IonicContact OE2-NE2 2.85Å; E263-E285 WeakPolarHBondContact O-CB 3.49Å; E263-L314 HydrophobicContact CG-CD1 4.28Å
264L93.1Very high97.7Very high75 Ų7525.7 Ų25.739%0.39315%0.151SC..SBendtrans-115.1-30-173-53.1174.9000112.2E234 L314E234-L264 HydrophobicContact CG-CB 4.46Å; E234-L264 HydrophobicContact CG-CD1 4.3Å; E234-L264 WeakPolarHBondContact OE2-CA 3.34Å; E234-L264 VanDerWaalsContact OE2-CB 3.29Å; E234-L264 WeakPolarHBondContact OE2-CB 3.41Å; E234-L264 PolarHBondContact OE2-N 3.45Å; L264-L314 HydrophobicContact CD2-CD1 3.99Å; L264-L314 HydrophobicContact CD2-CD2 3.87Å
265H94.8Very high97.7Very high73 Ų7327.4 Ų27.434%0.33815%0.146SC..SBendtrans-131.7153175.9-54.988.1000111.3E234 Q235 M267E234-H265 WeakPolarHBondContact OE1-CB 3.44Å; E234-H265 IonicContact OE1-CE1 2.75Å; E234-H265 IonicContact OE1-CG 2.75Å; E234-H265 PolarHBondContact OE1-N 2.75Å; E234-H265 IonicContact OE1-ND1 2.78Å; E234-H265 PolarHBondContact OE1-ND1 3.21Å; E234-H265 PolarHBondContact OE2-N 3.1Å; Q235-H265 HydrophobicContact CB-CB 4.43Å; H265-M267 HydrophobicContact CB-CG 4.5Å; H265-M267 HydrophobicContact CB-SD 4.29Å; H265-M267 PolarHBondContact O-N 3.38Å
266P95.7Very high97.7Very high82 Ų8227.8 Ų27.853%0.53215%0.148SC..  trans-75.674.617831.8-36.9000110.9N268 E286P266-N268 PolarHBondContact O-N 3.28Å; P266-E286 HydrophobicContact CB-CB 4.22Å; P266-E286 WeakPolarHBondContact CB-O 3.35Å
267M96.9Very high97.7Very high33 Ų3326.8 Ų26.816%0.16315%0.153CC..  trans-70.9-16-177.4-64.7-59.3-69.500112.9Q235 L240 D262 H265 A269Q235-M267 HydrophobicContact CB-SD 4.02Å; L240-M267 WeakPolarHBondContact CD1-O 3.35Å; L240-M267 WeakPolarHBondContact CD2-O 3.07Å; D262-M267 WeakPolarHBondContact OD1-CA 3.39Å; D262-M267 WeakPolarHBondContact OD1-CB 3.29Å; D262-M267 PolarHBondContact OD1-N 3.43Å; H265-M267 HydrophobicContact CB-CG 4.5Å; H265-M267 HydrophobicContact CB-SD 4.29Å; H265-M267 PolarHBondContact O-N 3.38Å; M267-A269 HydrophobicContact CB-CB 4.35Å
268N97.5Very high97.7Very high48 Ų4826.8 Ų26.826%0.25715%0.154SC..  trans6529.4-168.7-14920.9000112.1D262 P266 A270 K271 M272 T288D262-N268 PolarHBondContact OD1-N 2.77Å; P266-N268 PolarHBondContact O-N 3.28Å; N268-A270 VanDerWaalsContact C-N 3.31Å; N268-A270 PolarHBondContact O-N 2.95Å; N268-K271 PolarHBondContact O-N 3.37Å; N268-K271 WeakPolarHBondContact OD1-CB 3.47Å; N268-M272 PolarHBondContact O-N 3.35Å; N268-T288 PolarHBondContact OD1-OG1 2.75Å
269A98.3Very high97.7Very high0 Ų028.2 Ų28.20%016%0.161CC..Hα-helixtrans-63.9-37.217900000111.2C233 F259 D262 M267 K271 M272 G273C233-A269 HydrophobicContact CB-CB 4.25Å; F259-A269 HydrophobicContact CE2-CB 4.02Å; F259-A269 HydrophobicContact CZ-CB 4.26Å; D262-A269 PolarHBondContact OD1-N 3.32Å; D262-A269 PolarHBondContact OD2-N 2.92Å; M267-A269 HydrophobicContact CB-CB 4.35Å; A269-K271 VanDerWaalsContact C-N 3.34Å; A269-K271 PolarHBondContact O-N 3.01Å; A269-M272 PolarHBondContact O-N 2.81Å; A269-G273 PolarHBondContact O-N 2.82Å
270A98.5Very high97.7Very high0 Ų028.2 Ų28.20%016%0.161CC..Hα-helixtrans-54.2-47.3175.200000113D262 N268 A274 L284 V287 M295D262-A270 WeakPolarHBondContact OD2-CB 3.36Å; D262-A270 PolarHBondContact OD2-N 2.89Å; N268-A270 VanDerWaalsContact C-N 3.31Å; N268-A270 PolarHBondContact O-N 2.95Å; A270-A274 WeakPolarHBondContact O-CB 3.24Å; A270-A274 PolarHBondContact O-N 3.1Å; A270-L284 HydrophobicContact CB-CD2 3.98Å; A270-V287 HydrophobicContact CB-CG2 3.68Å; A270-M295 HydrophobicContact CB-CG 4.23Å; A270-M295 HydrophobicContact CB-SD 3.78Å
271K98.6Very high97.7Very high51 Ų5128 Ų2822%0.22216%0.16CC..Hα-helixtrans-66.1-48.9177170.3163.6172.441.70111.6N268 A269 G273 A274 D275 E290 A294N268-K271 PolarHBondContact O-N 3.37Å; N268-K271 WeakPolarHBondContact OD1-CB 3.47Å; A269-K271 VanDerWaalsContact C-N 3.34Å; A269-K271 PolarHBondContact O-N 3.01Å; K271-G273 VanDerWaalsContact C-N 3.32Å; K271-G273 PolarHBondContact O-N 3.24Å; K271-A274 PolarHBondContact O-N 3.42Å; K271-D275 IonicContact NZ-OD1 3.9Å; K271-D275 IonicContact NZ-OD2 3.82Å; K271-D275 PolarHBondContact NZ-OD2 3.24Å; K271-D275 PolarHBondContact O-N 3.49Å; K271-E290 HydrophobicContact CD-CG 3.89Å; K271-E290 WeakPolarHBondContact CD-OE1 3.49Å; K271-E290 WeakPolarHBondContact CE-OE1 3.37Å; K271-A294 HydrophobicContact CB-CB 4.49Å
272M98.7Very high97.8Very high8 Ų828 Ų284%0.03916%0.16CC..Hα-helixtrans-57.5-47.2179.4176.7-78-65.300111L240 T243 L247 F259 N268 A269 D275 L276L240-M272 HydrophobicContact CD2-CB 4.13Å; L240-M272 HydrophobicContact CD2-CE 4.47Å; L240-M272 HydrophobicContact CD2-CG 4.33Å; T243-M272 HydrophobicContact CG2-CE 3.47Å; T243-M272 VanDerWaalsContact CG2-CE 3.47Å; L247-M272 HydrophobicContact CD1-CE 4.17Å; L247-M272 HydrophobicContact CD1-SD 4.47Å; F259-M272 HydrophobicContact CE1-CE 4.39Å; F259-M272 HydrophobicContact CE2-CE 3.69Å; F259-M272 HydrophobicContact CZ-CE 3.5Å; F259-M272 VanDerWaalsContact CZ-CE 3.5Å; N268-M272 PolarHBondContact O-N 3.35Å; A269-M272 PolarHBondContact O-N 2.81Å; M272-D275 PolarHBondContact O-N 3.41Å; M272-L276 WeakPolarHBondContact O-CG 3.41Å; M272-L276 PolarHBondContact O-N 2.89Å; M272-L276 HydrophobicContact SD-CD1 3.35Å; M272-L276 WeakPolarHBondContact SD-CD1 3.31Å; M272-L276 HydrophobicContact SD-CG 3.91Å
273G98.8Very high97.8Very high0 Ų028.1 Ų28.10%016%0.161CC..Hα-helixtrans-62.5-43178.100000112.6A269 K271 D275 L276 G277 A278A269-G273 PolarHBondContact O-N 2.82Å; K271-G273 VanDerWaalsContact C-N 3.32Å; K271-G273 PolarHBondContact O-N 3.24Å; G273-D275 VanDerWaalsContact C-N 3.35Å; G273-D275 PolarHBondContact O-N 3.11Å; G273-L276 CarbonylContact O-C 3.23Å; G273-L276 PolarHBondContact O-N 3.35Å; G273-G277 PolarHBondContact O-N 3.25Å; G273-G277 VanDerWaalsContact O-N 3.11Å; G273-A278 WeakPolarHBondContact O-CB 3.48Å; G273-A278 PolarHBondContact O-N 3.24Å
274A98.6Very high97.9Very high11 Ų1127.3 Ų27.39%0.09116%0.157CC..Hα-helixtrans-59.5-43.4174.100000112.3A270 K271 L276 G277 A294 S298A270-A274 WeakPolarHBondContact O-CB 3.24Å; A270-A274 PolarHBondContact O-N 3.1Å; K271-A274 PolarHBondContact O-N 3.42Å; A274-L276 VanDerWaalsContact C-N 3.28Å; A274-L276 PolarHBondContact O-N 2.86Å; A274-G277 PolarHBondContact O-N 3.12Å; A274-A294 HydrophobicContact CB-CB 3.69Å; A274-S298 WeakPolarHBondContact CB-OG 3.44Å
275D98.5Very high98.1Very high97 Ų9724 Ų2452%0.51914%0.14SC..Hα-helixtrans-64.8-31.9176.8-69.3-24.7000112K271 M272 G273 G277K271-D275 IonicContact NZ-OD1 3.9Å; K271-D275 IonicContact NZ-OD2 3.82Å; K271-D275 PolarHBondContact NZ-OD2 3.24Å; K271-D275 PolarHBondContact O-N 3.49Å; M272-D275 PolarHBondContact O-N 3.41Å; G273-D275 VanDerWaalsContact C-N 3.35Å; G273-D275 PolarHBondContact O-N 3.11Å; D275-G277 VanDerWaalsContact C-N 3.29Å
276L98.6Very high98.3Very high14 Ų1423.8 Ų23.87%0.07314%0.139CC..Hα-helixtrans-79.8-6.6174.4-67-170.9000113.9R244 L247 L248 K251 I257 M272 G273 A274R244-L276 HydrophobicContact CG-CD1 4.15Å; R244-L276 HydrophobicContact CG-CD2 4.28Å; L247-L276 HydrophobicContact CB-CD1 4.21Å; L247-L276 HydrophobicContact CD1-CD1 4.38Å; L248-L276 HydrophobicContact CD1-CD2 4.25Å; L248-L276 HydrophobicContact CD2-CD2 3.76Å; L248-L276 HydrophobicContact CG-CD1 4.45Å; L248-L276 HydrophobicContact CG-CD2 3.99Å; K251-L276 PolarHBondContact NZ-O 2.88Å; I257-L276 HydrophobicContact CD1-CB 3.97Å; I257-L276 HydrophobicContact CD1-CD1 4.4Å; M272-L276 WeakPolarHBondContact O-CG 3.41Å; M272-L276 PolarHBondContact O-N 2.89Å; M272-L276 HydrophobicContact SD-CD1 3.35Å; M272-L276 WeakPolarHBondContact SD-CD1 3.31Å; M272-L276 HydrophobicContact SD-CG 3.91Å; G273-L276 CarbonylContact O-C 3.23Å; G273-L276 PolarHBondContact O-N 3.35Å; A274-L276 VanDerWaalsContact C-N 3.28Å; A274-L276 PolarHBondContact O-N 2.86Å
277G98.5Very high98.4Very high46 Ų4620 Ų2047%0.47411%0.114SC..THydrogen-bonded Turntrans69.541.7-173.500000112.5G273 A274 D275G273-G277 PolarHBondContact O-N 3.25Å; G273-G277 VanDerWaalsContact O-N 3.11Å; A274-G277 PolarHBondContact O-N 3.12Å; D275-G277 VanDerWaalsContact C-N 3.29Å
278A98.8Very high98.5Very high4 Ų420.5 Ų20.53%0.03312%0.119CC..  trans-56.6138.3171.600000111.3I257 F259 G273 I281 T300I257-A278 HydrophobicContact CB-CB 4.17Å; I257-A278 HydrophobicContact CG2-CB 3.53Å; F259-A278 HydrophobicContact CE1-CB 4.26Å; G273-A278 WeakPolarHBondContact O-CB 3.48Å; G273-A278 PolarHBondContact O-N 3.24Å; A278-I281 HydrophobicContact CB-CD1 4.45Å; A278-I281 HydrophobicContact CB-CG1 4.21Å; A278-T300 HydrophobicContact CB-CG2 3.85Å; A278-T300 WeakPolarHBondContact O-CB 3.31Å; A278-T300 WeakPolarHBondContact O-CG2 3.2Å; A278-T300 PolarHBondContact O-OG1 3.45Å
279L98.8Very high98.5Very high29 Ų2923.3 Ų23.315%0.15213%0.134CC..SBendtrans-73-44.6172.7179.761000110.1N256 I257 A301 Y372 A373N256-L279 HydrophobicContact CB-CB 4.23Å; N256-L279 HydrophobicContact CB-CD2 3.92Å; I257-L279 PolarHBondContact O-N 3.48Å; L279-A301 PolarHBondContact O-N 3.19Å; L279-Y372 HydrophobicContact CD1-CE1 4.41Å; L279-A373 VanDerWaalsContact CD2-O 3.31Å; L279-A373 WeakPolarHBondContact CD2-O 3.27Å; L279-A373 WeakPolarHBondContact CG-O 3.37Å
280A98.9Very high98.5Very high0 Ų028.3 Ų28.30%016%0.158CC..EExtended strand (participates in β ladder)trans-147.8153.4-178.800000112I257 N258 F259 A301 V303 A373I257-A280 PolarHBondContact O-N 3.12Å; N258-A280 WeakPolarHBondContact CA-O 3.5Å; N258-A280 HydrophobicContact CB-CB 4.42Å; F259-A280 PolarHBondContact N-O 2.99Å; A280-A301 CarbonylContact C-O 3.48Å; A280-A301 VanDerWaalsContact CA-O 3.3Å; A280-A301 WeakPolarHBondContact CA-O 3.41Å; A280-A301 HydrophobicContact CB-CB 4.22Å; A280-V303 HydrophobicContact CB-CG2 3.95Å; A280-A373 HydrophobicContact CB-CB 3.98Å
281I98.9Very high98.5Very high0 Ų028.3 Ų28.30%016%0.158CC..EExtended strand (participates in β ladder)trans-134.1130.1171.1-51.2175.6000107.1F259 A278 L284 M295 T300 A301 A302 V303F259-I281 HydrophobicContact CD1-CG1 4.14Å; F259-I281 HydrophobicContact CE1-CB 4.46Å; F259-I281 HydrophobicContact CE1-CD1 3.82Å; F259-I281 HydrophobicContact CE1-CG1 3.57Å; F259-I281 HydrophobicContact CE1-CG2 4.28Å; F259-I281 HydrophobicContact CZ-CD1 4.05Å; F259-I281 HydrophobicContact CZ-CG1 4.14Å; F259-I281 HydrophobicContact CZ-CG2 4.19Å; F259-I281 CarbonylContact O-C 3.57Å; F259-I281 VanDerWaalsContact O-CA 3.31Å; F259-I281 WeakPolarHBondContact O-CA 3.28Å; A278-I281 HydrophobicContact CB-CD1 4.45Å; A278-I281 HydrophobicContact CB-CG1 4.21Å; I281-L284 HydrophobicContact CB-CD2 4.32Å; I281-L284 HydrophobicContact CG2-CD2 3.77Å; I281-L284 HydrophobicContact CG2-CG 4.37Å; I281-M295 HydrophobicContact CB-CE 4.11Å; I281-M295 HydrophobicContact CD1-CE 4.31Å; I281-M295 HydrophobicContact CD1-SD 4.49Å; I281-M295 HydrophobicContact CG1-CE 4.38Å; I281-T300 HydrophobicContact CD1-CG2 3.81Å; I281-T300 HydrophobicContact CG1-CG2 3.66Å; I281-A301 PolarHBondContact N-O 3.18Å; I281-A302 WeakPolarHBondContact O-CA 3.37Å; I281-V303 PolarHBondContact O-N 3.32Å
282S98.8Very high98.5Very high0 Ų026.3 Ų26.30%015%0.149CC..EExtended strand (participates in β ladder)trans-103160.5-176.6-56.80000111.7H87 F259 G261 V303H87-S282 WeakPolarHBondContact CE1-CB 3.27Å; H87-S282 PolarHBondContact CE1-OG 3.1Å; H87-S282 VanDerWaalsContact ND1-CB 3.26Å; H87-S282 WeakPolarHBondContact ND1-CB 3.44Å; H87-S282 PolarHBondContact ND1-OG 2.99Å; F259-S282 PolarHBondContact O-N 3.27Å; G261-S282 PolarHBondContact N-O 2.96Å; G261-S282 VanDerWaalsContact N-O 3.13Å; G261-S282 VanDerWaalsContact O-O 3.12Å; S282-V303 VanDerWaalsContact CA-O 3.27Å; S282-V303 WeakPolarHBondContact CA-O 3.47Å
283H98.4Very high98.5Very high2 Ų228.7 Ų28.71%0.00917%0.17CC..EExtended strand (participates in β ladder)trans81.3-99.2-174.9-68.8-78.8000113.3H260 E263 E285 V303 L305 P317 D334H260-H283 AromaticContact CD2-CD2 3.46Å; H260-H283 PolarHBondContact CD2-CD2 3.33Å; H260-H283 VanDerWaalsContact CD2-CD2 3.46Å; H260-H283 AromaticContact CD2-NE2 3.25Å; H260-H283 PolarHBondContact CD2-NE2 2.74Å; H260-H283 VanDerWaalsContact CD2-NE2 3.25Å; H260-H283 AromaticContact CG-CD2 3.97Å; E263-H283 HydrophobicContact CB-CB 3.63Å; E263-H283 VanDerWaalsContact CD-ND1 3.32Å; E263-H283 HydrophobicContact CG-CB 3.96Å; E263-H283 WeakPolarHBondContact CG-ND1 3.5Å; E263-H283 IonicContact OE1-CE1 3.9Å; E263-H283 PolarHBondContact OE1-CE1 2.89Å; E263-H283 IonicContact OE1-ND1 3.84Å; E263-H283 PolarHBondContact OE1-ND1 3.46Å; E263-H283 IonicContact OE2-CD2 2.76Å; E263-H283 IonicContact OE2-CE1 3.91Å; E263-H283 IonicContact OE2-ND1 3.45Å; E263-H283 IonicContact OE2-NE2 2.85Å; H283-E285 WeakPolarHBondContact CA-OE2 3.29Å; H283-E285 WeakPolarHBondContact CB-OE2 3.46Å; H283-E285 IonicContact CG-OE2 3.48Å; H283-E285 IonicContact ND1-OE2 3.4Å; H283-V303 PolarHBondContact N-O 3.1Å; H283-V303 VanDerWaalsContact N-O 3.13Å; H283-L305 VanDerWaalsContact CE1-CD1 3.45Å; H283-L305 WeakPolarHBondContact CE1-CD1 3.44Å; H283-L305 WeakPolarHBondContact NE2-CD1 3.23Å; H283-P317 WeakPolarHBondContact O-CG 3.28Å; H283-D334 IonicContact CE1-OD2 2.91Å
284L98.5Very high98.5Very high0 Ų029.6 Ų29.60%018%0.178CC..  trans6927.8175.7-52.5163.4000115.5G261 D262 A270 I281 E286 V287 M295 A302 L304 M322G261-L284 PolarHBondContact O-N 3.36Å; D262-L284 HydrophobicContact CB-CD2 4.46Å; D262-L284 CarbonylContact O-C 3.56Å; D262-L284 WeakPolarHBondContact O-CA 3.42Å; A270-L284 HydrophobicContact CB-CD2 3.98Å; I281-L284 HydrophobicContact CB-CD2 4.32Å; I281-L284 HydrophobicContact CG2-CD2 3.77Å; I281-L284 HydrophobicContact CG2-CG 4.37Å; L284-E286 VanDerWaalsContact C-N 3.33Å; L284-V287 HydrophobicContact CB-CB 4.04Å; L284-V287 HydrophobicContact CB-CG1 4.31Å; L284-V287 HydrophobicContact CD2-CB 4.27Å; L284-V287 HydrophobicContact CD2-CG2 4.08Å; L284-V287 WeakPolarHBondContact O-CG1 3.32Å; L284-M295 HydrophobicContact CD1-CE 3.86Å; L284-M295 HydrophobicContact CD1-SD 4.11Å; L284-M295 HydrophobicContact CD2-SD 4.21Å; L284-A302 HydrophobicContact CD1-CB 3.39Å; L284-L304 HydrophobicContact CB-CD2 4.44Å; L284-L304 HydrophobicContact CD1-CD2 4.27Å; L284-M322 HydrophobicContact CB-CE 3.56Å; L284-M322 HydrophobicContact CD1-CE 3.91Å; L284-M322 HydrophobicContact CD1-SD 4.45Å; L284-M322 HydrophobicContact CG-CE 4.35Å
285E97.9Very high98.5Very high7 Ų729.1 Ų29.13%0.03317%0.173CC..THydrogen-bonded Turntrans-56.8-45.1169.9-74.574.7-171.700111.8D262 E263 H283 L314 P315 P317D262-E285 PolarHBondContact O-N 2.81Å; D262-E285 VanDerWaalsContact O-N 3.08Å; E263-E285 WeakPolarHBondContact O-CB 3.49Å; H283-E285 WeakPolarHBondContact CA-OE2 3.29Å; H283-E285 WeakPolarHBondContact CB-OE2 3.46Å; H283-E285 IonicContact CG-OE2 3.48Å; H283-E285 IonicContact ND1-OE2 3.4Å; E285-L314 HydrophobicContact CG-CB 4.32Å; E285-L314 HydrophobicContact CG-CD1 4.47Å; E285-P315 WeakPolarHBondContact CG-O 3.37Å; E285-P317 HydrophobicContact CG-CG 3.96Å
286E97.9Very high98.6Very high67 Ų6725.2 Ų25.231%0.31316%0.155SC..THydrogen-bonded Turntrans-10222.1-174.3-65.5-63.6149.800113.1D262 P266 L284D262-E286 PolarHBondContact O-N 2.76Å; P266-E286 HydrophobicContact CB-CB 4.22Å; P266-E286 WeakPolarHBondContact CB-O 3.35Å; L284-E286 VanDerWaalsContact C-N 3.33Å
287V98.3Very high98.6Very high4 Ų433.2 Ų33.22%0.02419%0.189CC..  trans-64.8135.9-178.469.80000112.9A270 L284 I292 R318 M322A270-V287 HydrophobicContact CB-CG2 3.68Å; L284-V287 HydrophobicContact CB-CB 4.04Å; L284-V287 HydrophobicContact CB-CG1 4.31Å; L284-V287 HydrophobicContact CD2-CB 4.27Å; L284-V287 HydrophobicContact CD2-CG2 4.08Å; L284-V287 WeakPolarHBondContact O-CG1 3.32Å; V287-I292 HydrophobicContact CG1-CD1 4.14Å; V287-I292 HydrophobicContact CG1-CG1 4.06Å; V287-I292 HydrophobicContact CG2-CG1 4Å; V287-R318 HydrophobicContact CG1-CB 4.34Å; V287-R318 PolarHBondContact O-NH1 2.87Å; V287-M322 HydrophobicContact CB-CE 4.35Å; V287-M322 HydrophobicContact CG1-CE 3.53Å
288T98.2Very high98.6Very high42 Ų4233.2 Ų33.226%0.25818%0.182SC..  trans-84.7161.5179690000112.2N268 E290 G291 I292N268-T288 PolarHBondContact OD1-OG1 2.75Å; T288-E290 PolarHBondContact O-N 3.07Å; T288-G291 PolarHBondContact O-N 2.84Å; T288-G291 VanDerWaalsContact O-N 3.11Å; T288-G291 PolarHBondContact OG1-N 3.44Å; T288-I292 WeakPolarHBondContact O-CG1 3.48Å; T288-I292 PolarHBondContact O-N 3.03Å
289D98.4Very high98.5Very high108 Ų10837.2 Ų37.258%0.57820%0.198SC*.Hα-helixtrans-58.5-37173.2-66.4-16.5000112I292 A293 R318D289-I292 PolarHBondContact O-N 2.82Å; D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.41Å; D289-R318 IonicContact OD1-CZ 3.54Å; D289-R318 IonicContact OD1-NH1 2.71Å; D289-R318 PolarHBondContact OD1-NH1 3.33Å; D289-R318 IonicContact OD1-NH2 3.18Å; D289-R318 PolarHBondContact OD1-NH2 2.77Å
290E98.3Very high98.5Very high105 Ų10535.8 Ų35.849%0.49119%0.191SC..Hα-helixtrans-64.8-41.7175.9-165.3-175.4-178.400111.1K271 T288 A293 A294K271-E290 HydrophobicContact CD-CG 3.89Å; K271-E290 WeakPolarHBondContact CD-OE1 3.49Å; K271-E290 WeakPolarHBondContact CE-OE1 3.37Å; T288-E290 PolarHBondContact O-N 3.07Å; E290-A293 PolarHBondContact O-N 3.12Å; E290-A294 VanDerWaalsContact O-CB 3.3Å; E290-A294 WeakPolarHBondContact O-CB 3.47Å; E290-A294 PolarHBondContact O-N 3.45Å
291G98.6Very high98.5Very high0 Ų035.8 Ų35.80%019%0.191CC..Hα-helixtrans-60.3-49.2174.100000112.5T288 A293 A294 M295T288-G291 PolarHBondContact O-N 2.84Å; T288-G291 VanDerWaalsContact O-N 3.11Å; T288-G291 PolarHBondContact OG1-N 3.44Å; G291-A293 VanDerWaalsContact C-N 3.34Å; G291-A293 PolarHBondContact O-N 3Å; G291-A294 PolarHBondContact O-N 3.47Å; G291-M295 WeakPolarHBondContact O-CG 3.44Å; G291-M295 PolarHBondContact O-N 3.31Å
292I98.8Very high98.5Very high8 Ų835.8 Ų35.84%0.04119%0.191CC..Hα-helixtrans-57.1-48.3176.6-67.3174.8000110.7V287 T288 D289 A294 M295 A296 R318 D321 M322 A325 V327V287-I292 HydrophobicContact CG1-CD1 4.14Å; V287-I292 HydrophobicContact CG1-CG1 4.06Å; V287-I292 HydrophobicContact CG2-CG1 4Å; T288-I292 WeakPolarHBondContact O-CG1 3.48Å; T288-I292 PolarHBondContact O-N 3.03Å; D289-I292 PolarHBondContact O-N 2.82Å; I292-A294 VanDerWaalsContact C-N 3.34Å; I292-A294 PolarHBondContact O-N 2.97Å; I292-M295 PolarHBondContact O-N 3.35Å; I292-A296 WeakPolarHBondContact O-CB 3.49Å; I292-A296 PolarHBondContact O-N 3.09Å; I292-R318 HydrophobicContact CD1-CB 4.43Å; I292-D321 HydrophobicContact CD1-CB 3.87Å; I292-M322 HydrophobicContact CD1-CG 4.22Å; I292-M322 HydrophobicContact CG1-CG 4.05Å; I292-M322 HydrophobicContact CG2-CG 4.49Å; I292-A325 HydrophobicContact CG2-CB 3.44Å; I292-A325 VanDerWaalsContact CG2-CB 3.44Å; I292-V327 HydrophobicContact CG2-CG2 3.96Å; I292-V327 WeakPolarHBondContact O-CG2 3.45Å
293A98.8Very high98.6Very high59 Ų5935.8 Ų35.849%0.48819%0.191SC..Hα-helixtrans-62.9-40.5179.400000112.1D289 E290 G291 K297D289-A293 WeakPolarHBondContact O-CB 3.42Å; D289-A293 PolarHBondContact O-N 3.41Å; E290-A293 PolarHBondContact O-N 3.12Å; G291-A293 VanDerWaalsContact C-N 3.34Å; G291-A293 PolarHBondContact O-N 3Å; A293-K297 WeakPolarHBondContact O-CB 3.37Å; A293-K297 PolarHBondContact O-N 3.44Å
294A98.8Very high98.6Very high19 Ų1935.7 Ų35.716%0.15719%0.191CC..Hα-helixtrans-63.4-47.7177.700000111.5K271 A274 E290 G291 I292 A296 K297 S298K271-A294 HydrophobicContact CB-CB 4.49Å; A274-A294 HydrophobicContact CB-CB 3.69Å; E290-A294 VanDerWaalsContact O-CB 3.3Å; E290-A294 WeakPolarHBondContact O-CB 3.47Å; E290-A294 PolarHBondContact O-N 3.45Å; G291-A294 PolarHBondContact O-N 3.47Å; I292-A294 VanDerWaalsContact C-N 3.34Å; I292-A294 PolarHBondContact O-N 2.97Å; A294-A296 PolarHBondContact O-N 3.19Å; A294-K297 PolarHBondContact O-N 3.49Å; A294-S298 PolarHBondContact O-N 3.29Å; A294-S298 PolarHBondContact O-OG 3.18Å
295M98.8Very high98.6Very high0 Ų035.7 Ų35.70%019%0.191CC..Hα-helixtrans-62-42.8178.4-68179.478.600112.5A270 I281 L284 G291 I292 K297 S298 K299 T300 A301 A302 V327A270-M295 HydrophobicContact CB-CG 4.23Å; A270-M295 HydrophobicContact CB-SD 3.78Å; I281-M295 HydrophobicContact CB-CE 4.11Å; I281-M295 HydrophobicContact CD1-CE 4.31Å; I281-M295 HydrophobicContact CD1-SD 4.49Å; I281-M295 HydrophobicContact CG1-CE 4.38Å; L284-M295 HydrophobicContact CD1-CE 3.86Å; L284-M295 HydrophobicContact CD1-SD 4.11Å; L284-M295 HydrophobicContact CD2-SD 4.21Å; G291-M295 WeakPolarHBondContact O-CG 3.44Å; G291-M295 PolarHBondContact O-N 3.31Å; I292-M295 PolarHBondContact O-N 3.35Å; M295-K297 PolarHBondContact O-N 3.18Å; M295-S298 PolarHBondContact O-N 3.41Å; M295-S298 PolarHBondContact O-OG 2.91Å; M295-K299 PolarHBondContact O-N 3.47Å; M295-T300 HydrophobicContact CE-CG2 3.94Å; M295-T300 HydrophobicContact CG-CG2 4.46Å; M295-T300 PolarHBondContact O-N 3.49Å; M295-A301 VanDerWaalsContact CE-O 3.29Å; M295-A301 WeakPolarHBondContact CE-O 3.33Å; M295-A302 HydrophobicContact CE-CB 3.72Å; M295-V327 HydrophobicContact CB-CG1 4.21Å; M295-V327 HydrophobicContact CB-CG2 4.22Å; M295-V327 HydrophobicContact CE-CG1 4.38Å
296A98.7Very high98.6Very high15 Ų1535.4 Ų35.412%0.12419%0.189CC..Hα-helixtrans-60.7-36.8177.400000112.2I292 A294 K299 V327I292-A296 WeakPolarHBondContact O-CB 3.49Å; I292-A296 PolarHBondContact O-N 3.09Å; A294-A296 PolarHBondContact O-N 3.19Å; A296-K299 PolarHBondContact O-NZ 3.08Å; A296-V327 HydrophobicContact CB-CG2 3.9Å
297K98.6Very high98.5Very high182 Ų18232.3 Ų32.379%0.79118%0.175SC*.Hα-helixtrans-74.1-46.8177.6-176.3-177.3177-174.50112.2A293 A294 M295 K299A293-K297 WeakPolarHBondContact O-CB 3.37Å; A293-K297 PolarHBondContact O-N 3.44Å; A294-K297 PolarHBondContact O-N 3.49Å; M295-K297 PolarHBondContact O-N 3.18Å; K297-K299 VanDerWaalsContact C-N 3.3Å; K297-K299 PolarHBondContact O-N 2.81Å
298S98.6Very high98.2Very high47 Ų4732.2 Ų32.233%0.32917%0.174SC..Hα-helixtrans-77.2-13.6-176.464.70000113.9A274 A294 M295 T300A274-S298 WeakPolarHBondContact CB-OG 3.44Å; A294-S298 PolarHBondContact O-N 3.29Å; A294-S298 PolarHBondContact O-OG 3.18Å; M295-S298 PolarHBondContact O-N 3.41Å; M295-S298 PolarHBondContact O-OG 2.91Å; S298-T300 PolarHBondContact O-N 3.47Å; S298-T300 WeakPolarHBondContact OG-CB 3.42Å; S298-T300 PolarHBondContact OG-N 2.92Å; S298-T300 PolarHBondContact OG-OG1 2.77Å
299K98.5Very high98Very high87 Ų8730.3 Ų30.338%0.37816%0.163SC..THydrogen-bonded Turntrans6230.6-170.5-51-57.6178.1-1590112.9F25 M295 A296 K297 I328 Y372F25-K299 HydrophobicContact CZ-CD 4.36Å; M295-K299 PolarHBondContact O-N 3.47Å; A296-K299 PolarHBondContact O-NZ 3.08Å; K297-K299 VanDerWaalsContact C-N 3.3Å; K297-K299 PolarHBondContact O-N 2.81Å; K299-I328 HydrophobicContact CB-CD1 4.06Å; K299-I328 HydrophobicContact CD-CD1 4.35Å; K299-Y372 WeakPolarHBondContact CB-OH 3.11Å; K299-Y372 WeakPolarHBondContact O-CE1 3.28Å; K299-Y372 PolarHBondContact O-OH 2.85Å
300T98.8Very high97.7Very high0 Ų032.2 Ų32.20%016%0.163CC..  trans-73.9127.4166-59.20000108.8A278 I281 M295 S298A278-T300 HydrophobicContact CB-CG2 3.85Å; A278-T300 WeakPolarHBondContact O-CB 3.31Å; A278-T300 WeakPolarHBondContact O-CG2 3.2Å; A278-T300 PolarHBondContact O-OG1 3.45Å; I281-T300 HydrophobicContact CD1-CG2 3.81Å; I281-T300 HydrophobicContact CG1-CG2 3.66Å; M295-T300 HydrophobicContact CE-CG2 3.94Å; M295-T300 HydrophobicContact CG-CG2 4.46Å; M295-T300 PolarHBondContact O-N 3.49Å; S298-T300 PolarHBondContact O-N 3.47Å; S298-T300 WeakPolarHBondContact OG-CB 3.42Å; S298-T300 PolarHBondContact OG-N 2.92Å; S298-T300 PolarHBondContact OG-OG1 2.77Å
301A98.9Very high97.3Very high0 Ų029.5 Ų29.50%015%0.151CC..EExtended strand (participates in β ladder)trans-75.4142.9177.900000111.8L279 A280 I281 M295 I328 Y372 A373L279-A301 PolarHBondContact O-N 3.19Å; A280-A301 CarbonylContact C-O 3.48Å; A280-A301 VanDerWaalsContact CA-O 3.3Å; A280-A301 WeakPolarHBondContact CA-O 3.41Å; A280-A301 HydrophobicContact CB-CB 4.22Å; I281-A301 PolarHBondContact N-O 3.18Å; M295-A301 VanDerWaalsContact CE-O 3.29Å; M295-A301 WeakPolarHBondContact CE-O 3.33Å; A301-I328 CarbonylContact C-O 3.57Å; A301-I328 VanDerWaalsContact CA-O 3.23Å; A301-I328 WeakPolarHBondContact CA-O 3.4Å; A301-I328 HydrophobicContact CB-CB 4.3Å; A301-I328 HydrophobicContact CB-CG2 4.22Å; A301-Y372 HydrophobicContact CB-CD1 4.08Å; A301-Y372 HydrophobicContact CB-CE1 4.25Å; A301-A373 HydrophobicContact CB-CB 3.9Å
302A98.9Very high96.6Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-96.6112.2168.500000108.8I281 L284 M295 L304 M322 V327 I328 V329 A330I281-A302 WeakPolarHBondContact O-CA 3.37Å; L284-A302 HydrophobicContact CD1-CB 3.39Å; M295-A302 HydrophobicContact CE-CB 3.72Å; A302-L304 HydrophobicContact CB-CD2 4.22Å; A302-M322 HydrophobicContact CB-SD 3.66Å; A302-V327 HydrophobicContact CB-CG1 3.66Å; A302-I328 PolarHBondContact N-O 3.37Å; A302-V329 HydrophobicContact CB-CG2 4.45Å; A302-V329 WeakPolarHBondContact O-CA 3.43Å; A302-A330 PolarHBondContact O-N 3.16Å
303V98.9Very high96.1Very high0 Ų041.3 Ų41.30%020%0.199CC..EExtended strand (participates in β ladder)trans-95.9101.9176.7-175.10000108.7A86 H87 A280 I281 S282 H283 L305 A330 A373A86-V303 HydrophobicContact CB-CG1 3.81Å; A86-V303 HydrophobicContact CB-CG2 4.3Å; H87-V303 HydrophobicContact CB-CG1 3.97Å; A280-V303 HydrophobicContact CB-CG2 3.95Å; I281-V303 PolarHBondContact O-N 3.32Å; S282-V303 VanDerWaalsContact CA-O 3.27Å; S282-V303 WeakPolarHBondContact CA-O 3.47Å; H283-V303 PolarHBondContact N-O 3.1Å; H283-V303 VanDerWaalsContact N-O 3.13Å; V303-L305 HydrophobicContact CG1-CD2 4Å; V303-A330 HydrophobicContact CG2-CB 4.15Å; V303-A373 HydrophobicContact CG2-CB 3.8Å
304L98.9Very high95.7Very high0 Ų040.3 Ų40.30%019%0.185CC..EExtended strand (participates in β ladder)trans-88.1139.2-175.8-50.6-175.6000110.9L284 A302 P306 P317 A319 M322 V329 A330 L331 G332 M355L284-L304 HydrophobicContact CB-CD2 4.44Å; L284-L304 HydrophobicContact CD1-CD2 4.27Å; A302-L304 HydrophobicContact CB-CD2 4.22Å; L304-P306 VanDerWaalsContact O-CD 3.26Å; L304-P306 WeakPolarHBondContact O-CD 3.39Å; L304-P317 HydrophobicContact CD1-CB 4.38Å; L304-P317 HydrophobicContact CD2-CB 3.78Å; L304-P317 HydrophobicContact CD2-CG 4.34Å; L304-A319 HydrophobicContact CD1-CB 3.58Å; L304-M322 HydrophobicContact CD1-SD 4.45Å; L304-M322 HydrophobicContact CD2-CE 4.09Å; L304-M322 HydrophobicContact CD2-SD 3.89Å; L304-V329 HydrophobicContact CD1-CG1 3.6Å; L304-V329 HydrophobicContact CG-CG1 3.97Å; L304-A330 PolarHBondContact N-O 2.99Å; L304-L331 HydrophobicContact CB-CD2 4.14Å; L304-G332 PolarHBondContact O-N 3.33Å; L304-M355 HydrophobicContact CB-CE 4Å; L304-M355 HydrophobicContact CB-SD 4.25Å; L304-M355 HydrophobicContact CD1-SD 4.24Å
305L98.6Very high95.4Very high0 Ų043 Ų430%020%0.201CC..  trans-122.369.4-168.2-54.9178000111.3H87 H283 V303 T307 T308 A309 G332 D334H87-L305 HydrophobicContact CB-CD2 3.76Å; H283-L305 VanDerWaalsContact CE1-CD1 3.45Å; H283-L305 WeakPolarHBondContact CE1-CD1 3.44Å; H283-L305 WeakPolarHBondContact NE2-CD1 3.23Å; V303-L305 HydrophobicContact CG1-CD2 4Å; L305-T307 PolarHBondContact O-N 3.49Å; L305-T307 VanDerWaalsContact O-N 3.13Å; L305-T308 PolarHBondContact O-N 2.98Å; L305-T308 VanDerWaalsContact O-N 3.15Å; L305-A309 PolarHBondContact O-N 3Å; L305-G332 WeakPolarHBondContact CD2-O 3.32Å; L305-D334 HydrophobicContact CB-CB 4.12Å; L305-D334 HydrophobicContact CD1-CB 3.91Å; L305-D334 HydrophobicContact CD2-CB 4.09Å; L305-D334 HydrophobicContact CG-CB 4.23Å
306P97.8Very high95.3Very high0 Ų045.6 Ų45.60%021%0.213CC..Hα-helixtrans-62.8-25.3-170.523.8-33.5000114.2L304 Y310 L331 V347 L350 A351 M355L304-P306 VanDerWaalsContact O-CD 3.26Å; L304-P306 WeakPolarHBondContact O-CD 3.39Å; P306-Y310 VanDerWaalsContact O-CB 3.23Å; P306-Y310 WeakPolarHBondContact O-CB 3.38Å; P306-Y310 PolarHBondContact O-N 2.98Å; P306-L331 HydrophobicContact CG-CD2 4.4Å; P306-V347 HydrophobicContact CG-CB 4.47Å; P306-V347 HydrophobicContact CG-CG1 3.65Å; P306-V347 WeakPolarHBondContact CG-O 3.37Å; P306-L350 HydrophobicContact CB-CB 3.8Å; P306-L350 HydrophobicContact CG-CB 4.23Å; P306-A351 HydrophobicContact CG-CB 4.37Å; P306-M355 HydrophobicContact CB-CE 3.46Å; P306-M355 VanDerWaalsContact CB-CE 3.46Å; P306-M355 HydrophobicContact CB-SD 4.1Å; P306-M355 HydrophobicContact CG-CE 4.13Å
307T95.8Very high95.2Very high3 Ų345.1 Ų45.12%0.01821%0.209CC..Hα-helixtrans-65.5-42.517743.80000111.7L305 Y310 I311 S333 C341 V347 L350L305-T307 PolarHBondContact O-N 3.49Å; L305-T307 VanDerWaalsContact O-N 3.13Å; T307-Y310 PolarHBondContact O-N 3.46Å; T307-I311 WeakPolarHBondContact O-CB 3.49Å; T307-I311 VanDerWaalsContact O-CG1 3.3Å; T307-I311 WeakPolarHBondContact O-CG1 3.43Å; T307-I311 PolarHBondContact O-N 2.96Å; T307-S333 PolarHBondContact OG1-O 3.27Å; T307-C341 HydrophobicContact CG2-CB 3.54Å; T307-V347 HydrophobicContact CG2-CG2 3.84Å; T307-L350 HydrophobicContact CG2-CD1 4.01Å
308T93Very high95.2Very high2 Ų240.3 Ų40.31%0.01219%0.186CC..Hα-helixtrans-70-47.8177.5-65.80000110.7L305 Y310 I311 L312 D334 A339L305-T308 PolarHBondContact O-N 2.98Å; L305-T308 VanDerWaalsContact O-N 3.15Å; T308-Y310 PolarHBondContact O-N 2.84Å; T308-I311 PolarHBondContact O-N 3.49Å; T308-L312 HydrophobicContact CG2-CD1 3.7Å; T308-L312 HydrophobicContact CG2-CG 4.23Å; T308-L312 WeakPolarHBondContact O-CB 3.33Å; T308-L312 PolarHBondContact O-N 3.49Å; T308-D334 WeakPolarHBondContact OG1-CB 3.18Å; T308-D334 PolarHBondContact OG1-OD2 3.37Å; T308-A339 WeakPolarHBondContact OG1-CB 3.4Å
309A93.3Very high95.2Very high1 Ų138.2 Ų38.21%0.00817%0.171CC..Hα-helixtrans-55.8-39.5174.100000112L305 R313 L314L305-A309 PolarHBondContact O-N 3Å; A309-R313 CarbonylContact O-C 3.53Å; A309-R313 VanDerWaalsContact O-CA 3.27Å; A309-R313 WeakPolarHBondContact O-CA 3.38Å; A309-R313 PolarHBondContact O-N 2.82Å; A309-L314 HydrophobicContact CB-CB 4.37Å; A309-L314 PolarHBondContact O-N 3Å
310Y92.9Very high95.2Very high148 Ų14836.7 Ų36.758%0.5816%0.163SC*.Hα-helixtrans-66.3-52175.1175.2-102.7000113.1P306 T307 T308 L312 R313P306-Y310 VanDerWaalsContact O-CB 3.23Å; P306-Y310 WeakPolarHBondContact O-CB 3.38Å; P306-Y310 PolarHBondContact O-N 2.98Å; T307-Y310 PolarHBondContact O-N 3.46Å; T308-Y310 PolarHBondContact O-N 2.84Å; Y310-L312 VanDerWaalsContact C-N 3.35Å; Y310-L312 PolarHBondContact O-N 2.91Å; Y310-R313 PolarHBondContact O-N 2.91Å
311I88.3Confident95.2Very high48 Ų4839.7 Ų39.725%0.24618%0.179CC..Hα-helixtrans-66.6-38.5-174.8-73169.6000111.5T307 T308 A339T307-I311 WeakPolarHBondContact O-CB 3.49Å; T307-I311 VanDerWaalsContact O-CG1 3.3Å; T307-I311 WeakPolarHBondContact O-CG1 3.43Å; T307-I311 PolarHBondContact O-N 2.96Å; T308-I311 PolarHBondContact O-N 3.49Å; I311-A339 HydrophobicContact CD1-CB 4.03Å
312L84.8Confident95.2Very high54 Ų5439.7 Ų39.728%0.28318%0.179SC..Hα-helixtrans-88.1-5.5179.3-64.3-174.8000113.2T308 Y310 L314T308-L312 HydrophobicContact CG2-CD1 3.7Å; T308-L312 HydrophobicContact CG2-CG 4.23Å; T308-L312 WeakPolarHBondContact O-CB 3.33Å; T308-L312 PolarHBondContact O-N 3.49Å; Y310-L312 VanDerWaalsContact C-N 3.35Å; Y310-L312 PolarHBondContact O-N 2.91Å; L312-L314 HydrophobicContact CB-CD1 4.13Å; L312-L314 HydrophobicContact CB-CD2 4.15Å; L312-L314 HydrophobicContact CB-CG 3.73Å; L312-L314 HydrophobicContact CD1-CD1 4.17Å; L312-L314 PolarHBondContact O-N 2.84Å
313R88.6Confident95.1Very high202 Ų20240 Ų4076%0.76218%0.18SC*.THydrogen-bonded Turntrans55.838.5-175.7-51.6-179.4-177.7-167.91.5112.6A309 Y310A309-R313 CarbonylContact O-C 3.53Å; A309-R313 VanDerWaalsContact O-CA 3.27Å; A309-R313 WeakPolarHBondContact O-CA 3.38Å; A309-R313 PolarHBondContact O-N 2.82Å; Y310-R313 PolarHBondContact O-N 2.91Å
314L89.7Confident95.1Very high38 Ų3846.4 Ų46.420%0.19921%0.21CC..PPolyproline II helixtrans-74.7160.1175-56.4177.3000110.3E263 L264 E285 A309 L312E263-L314 HydrophobicContact CG-CD1 4.28Å; L264-L314 HydrophobicContact CD2-CD1 3.99Å; L264-L314 HydrophobicContact CD2-CD2 3.87Å; E285-L314 HydrophobicContact CG-CB 4.32Å; E285-L314 HydrophobicContact CG-CD1 4.47Å; A309-L314 HydrophobicContact CB-CB 4.37Å; A309-L314 PolarHBondContact O-N 3Å; L312-L314 HydrophobicContact CB-CD1 4.13Å; L312-L314 HydrophobicContact CB-CD2 4.15Å; L312-L314 HydrophobicContact CB-CG 3.73Å; L312-L314 HydrophobicContact CD1-CD1 4.17Å; L312-L314 PolarHBondContact O-N 2.84Å
315P93.9Very high95.1Very high75 Ų7548 Ų4849%0.48722%0.224SC..PPolyproline II helixtrans-48.7147.5158.9-23.634.8000110.6E285E285-P315 WeakPolarHBondContact CG-O 3.37Å
316Q96.6Very high95Very high55 Ų5548.2 Ų48.226%0.25723%0.226SC..PPolyproline II helixtrans-78.4140.6173.7-64.2-64.1-53.100109.3N354 M355Q316-N354 HydrophobicContact CG-CB 3.95Å; Q316-M355 HydrophobicContact CB-CG 4.33Å
317P96.6Very high95.1Very high5 Ų548.2 Ų48.23%0.03223%0.226CC..PPolyproline II helixtrans-50.3146.9168.4-2632.9000112.3H283 E285 L304 A319 M355H283-P317 WeakPolarHBondContact O-CG 3.28Å; E285-P317 HydrophobicContact CG-CG 3.96Å; L304-P317 HydrophobicContact CD1-CB 4.38Å; L304-P317 HydrophobicContact CD2-CB 3.78Å; L304-P317 HydrophobicContact CD2-CG 4.34Å; P317-A319 PolarHBondContact O-N 2.85Å; P317-M355 HydrophobicContact CB-CE 4.5Å; P317-M355 HydrophobicContact CG-CE 3.9Å
318R97.7Very high95.2Very high82 Ų8248.1 Ų48.131%0.30923%0.225SC..  trans-73.854.7-177.1-62.7174.561.2-167.10112.7V287 D289 I292 R320 D321 M322V287-R318 HydrophobicContact CG1-CB 4.34Å; V287-R318 PolarHBondContact O-NH1 2.87Å; D289-R318 IonicContact OD1-CZ 3.54Å; D289-R318 IonicContact OD1-NH1 2.71Å; D289-R318 PolarHBondContact OD1-NH1 3.33Å; D289-R318 IonicContact OD1-NH2 3.18Å; D289-R318 PolarHBondContact OD1-NH2 2.77Å; I292-R318 HydrophobicContact CD1-CB 4.43Å; R318-R320 VanDerWaalsContact C-N 3.31Å; R318-R320 PolarHBondContact O-N 2.69Å; R318-D321 HydrophobicContact CB-CB 4.25Å; R318-D321 IonicContact CZ-OD2 2.8Å; R318-D321 IonicContact NE-OD2 3.21Å; R318-D321 PolarHBondContact NE-OD2 2.92Å; R318-D321 IonicContact NH2-OD2 3.16Å; R318-D321 PolarHBondContact NH2-OD2 3.09Å; R318-D321 PolarHBondContact O-N 3.17Å; R318-M322 WeakPolarHBondContact O-CG 3.42Å; R318-M322 PolarHBondContact O-N 3.35Å
319A98.4Very high95.5Very high2 Ų248 Ų482%0.01723%0.225CC..Hα-helixtrans-58.2-39.2-171.900000113.1L304 P317 M322 L323 M355L304-A319 HydrophobicContact CD1-CB 3.58Å; P317-A319 PolarHBondContact O-N 2.85Å; A319-M322 PolarHBondContact O-N 2.98Å; A319-L323 WeakPolarHBondContact O-CB 3.35Å; A319-L323 WeakPolarHBondContact O-CD1 3.4Å; A319-L323 WeakPolarHBondContact O-CG 3.49Å; A319-L323 PolarHBondContact O-N 3.47Å; A319-M355 HydrophobicContact CB-CB 3.81Å
320R98.1Very high95.8Very high56 Ų5648 Ų4821%0.21122%0.224CC..Hα-helixtrans-59.6-52.7176.9-67.2-55.286-1565.7111.3R318 M322 L323 E324 M355 R356 E361R318-R320 VanDerWaalsContact C-N 3.31Å; R318-R320 PolarHBondContact O-N 2.69Å; R320-M322 VanDerWaalsContact C-N 3.3Å; R320-M322 PolarHBondContact O-N 3.2Å; R320-L323 VanDerWaalsContact CZ-CD1 3.47Å; R320-L323 PolarHBondContact O-N 2.98Å; R320-L323 VanDerWaalsContact O-N 3.16Å; R320-E324 WeakPolarHBondContact O-CB 3.41Å; R320-E324 WeakPolarHBondContact O-CG 3.43Å; R320-E324 PolarHBondContact O-N 3Å; R320-M355 PolarHBondContact NE-O 3.38Å; R320-R356 HydrophobicContact CG-CB 4.36Å; R320-R356 PolarHBondContact NE-O 3.33Å; R320-R356 VanDerWaalsContact NE-O 3.15Å; R320-E361 IonicContact CZ-OE1 3.39Å; R320-E361 IonicContact CZ-OE2 2.73Å; R320-E361 VanDerWaalsContact CZ-OE2 3.23Å; R320-E361 VanDerWaalsContact NH1-CD 3.3Å; R320-E361 IonicContact NH1-OE1 3.68Å; R320-E361 PolarHBondContact NH1-OE1 2.65Å; R320-E361 IonicContact NH1-OE2 2.78Å; R320-E361 PolarHBondContact NH1-OE2 3.49Å; R320-E361 IonicContact NH2-OE1 2.74Å; R320-E361 IonicContact NH2-OE2 3.79Å; R320-E361 PolarHBondContact NH2-OE2 2.8Å
321D98.6Very high96.1Very high62 Ų6241 Ų4133%0.33220%0.197SC..Hα-helixtrans-60.1-41.9-179.1-55.8-14.3000111.1I292 R318 A325I292-D321 HydrophobicContact CD1-CB 3.87Å; R318-D321 HydrophobicContact CB-CB 4.25Å; R318-D321 IonicContact CZ-OD2 2.8Å; R318-D321 IonicContact NE-OD2 3.21Å; R318-D321 PolarHBondContact NE-OD2 2.92Å; R318-D321 IonicContact NH2-OD2 3.16Å; R318-D321 PolarHBondContact NH2-OD2 3.09Å; R318-D321 PolarHBondContact O-N 3.17Å; D321-A325 WeakPolarHBondContact O-CB 3.34Å; D321-A325 PolarHBondContact O-N 2.78Å
322M98.8Very high96.6Very high0 Ų038.7 Ų38.70%019%0.185CC..Hα-helixtrans-61.2-47.5175-71.4-179.6-165.100112.9L284 V287 I292 A302 L304 R318 A319 R320 A325 G326 V327 V329L284-M322 HydrophobicContact CB-CE 3.56Å; L284-M322 HydrophobicContact CD1-CE 3.91Å; L284-M322 HydrophobicContact CD1-SD 4.45Å; L284-M322 HydrophobicContact CG-CE 4.35Å; V287-M322 HydrophobicContact CB-CE 4.35Å; V287-M322 HydrophobicContact CG1-CE 3.53Å; I292-M322 HydrophobicContact CD1-CG 4.22Å; I292-M322 HydrophobicContact CG1-CG 4.05Å; I292-M322 HydrophobicContact CG2-CG 4.49Å; A302-M322 HydrophobicContact CB-SD 3.66Å; L304-M322 HydrophobicContact CD1-SD 4.45Å; L304-M322 HydrophobicContact CD2-CE 4.09Å; L304-M322 HydrophobicContact CD2-SD 3.89Å; R318-M322 WeakPolarHBondContact O-CG 3.42Å; R318-M322 PolarHBondContact O-N 3.35Å; A319-M322 PolarHBondContact O-N 2.98Å; R320-M322 VanDerWaalsContact C-N 3.3Å; R320-M322 PolarHBondContact O-N 3.2Å; M322-A325 PolarHBondContact O-N 2.83Å; M322-G326 PolarHBondContact O-N 3.07Å; M322-V327 HydrophobicContact CB-CB 3.98Å; M322-V327 HydrophobicContact CB-CG1 4.49Å; M322-V327 HydrophobicContact CB-CG2 4.12Å; M322-V327 HydrophobicContact CG-CG2 4.39Å; M322-V327 WeakPolarHBondContact O-CB 3.5Å; M322-V327 PolarHBondContact O-N 3.47Å; M322-V329 HydrophobicContact CB-CG2 3.86Å; M322-V329 HydrophobicContact SD-CG2 4.41Å
323L98.5Very high97.2Very high6 Ų636.1 Ų36.13%0.03117%0.172CC..Hα-helixtrans-67.3-40.6-179-78159.5000111.9M31 A319 R320 A325 G326 V329 M357M31-L323 HydrophobicContact CE-CD2 3.84Å; M31-L323 HydrophobicContact SD-CD2 3.38Å; M31-L323 WeakPolarHBondContact SD-CD2 3.42Å; A319-L323 WeakPolarHBondContact O-CB 3.35Å; A319-L323 WeakPolarHBondContact O-CD1 3.4Å; A319-L323 WeakPolarHBondContact O-CG 3.49Å; A319-L323 PolarHBondContact O-N 3.47Å; R320-L323 VanDerWaalsContact CZ-CD1 3.47Å; R320-L323 PolarHBondContact O-N 2.98Å; R320-L323 VanDerWaalsContact O-N 3.16Å; L323-A325 VanDerWaalsContact C-N 3.35Å; L323-G326 PolarHBondContact O-N 3.26Å; L323-G326 VanDerWaalsContact O-N 3.13Å; L323-V329 HydrophobicContact CD2-CB 3.95Å; L323-V329 HydrophobicContact CD2-CG2 3.94Å; L323-V329 HydrophobicContact CG-CB 4.21Å; L323-V329 HydrophobicContact CG-CG2 3.8Å; L323-M357 HydrophobicContact CD1-CE 4.38Å; L323-M357 HydrophobicContact CD1-CG 4.41Å
324E97.9Very high97.7Very high135 Ų13526.7 Ų26.763%0.63114%0.136SC*.Hα-helixtrans-65-37.5174.3-72.9179.1-16700112R28 R320 G326R28-E324 PolarHBondContact NH1-O 2.96Å; R28-E324 PolarHBondContact NH2-O 3.4Å; R320-E324 WeakPolarHBondContact O-CB 3.41Å; R320-E324 WeakPolarHBondContact O-CG 3.43Å; R320-E324 PolarHBondContact O-N 3Å; E324-G326 PolarHBondContact O-N 2.92Å
325A98.3Very high98.1Very high34 Ų3424.9 Ų24.928%0.28113%0.127SC..Hα-helixtrans-69.9-19.9173.500000112.9R28 I292 D321 M322 L323 V327R28-A325 PolarHBondContact NH2-O 2.88Å; I292-A325 HydrophobicContact CG2-CB 3.44Å; I292-A325 VanDerWaalsContact CG2-CB 3.44Å; D321-A325 WeakPolarHBondContact O-CB 3.34Å; D321-A325 PolarHBondContact O-N 2.78Å; M322-A325 PolarHBondContact O-N 2.83Å; L323-A325 VanDerWaalsContact C-N 3.35Å; A325-V327 HydrophobicContact CB-CG2 4.45Å
326G98.3Very high98.2Very high4 Ų421.8 Ų21.84%0.04111%0.106CC..THydrogen-bonded Turntrans84.428.9-177.400000113.7M322 L323 E324M322-G326 PolarHBondContact O-N 3.07Å; L323-G326 PolarHBondContact O-N 3.26Å; L323-G326 VanDerWaalsContact O-N 3.13Å; E324-G326 PolarHBondContact O-N 2.92Å
327V98.8Very high98Very high1 Ų119.7 Ų19.71%0.00610%0.098CC..  trans-65.6144.8164.2-179.80000109I292 M295 A296 A302 M322 A325 V329I292-V327 HydrophobicContact CG2-CG2 3.96Å; I292-V327 WeakPolarHBondContact O-CG2 3.45Å; M295-V327 HydrophobicContact CB-CG1 4.21Å; M295-V327 HydrophobicContact CB-CG2 4.22Å; M295-V327 HydrophobicContact CE-CG1 4.38Å; A296-V327 HydrophobicContact CB-CG2 3.9Å; A302-V327 HydrophobicContact CB-CG1 3.66Å; M322-V327 HydrophobicContact CB-CB 3.98Å; M322-V327 HydrophobicContact CB-CG1 4.49Å; M322-V327 HydrophobicContact CB-CG2 4.12Å; M322-V327 HydrophobicContact CG-CG2 4.39Å; M322-V327 WeakPolarHBondContact O-CB 3.5Å; M322-V327 PolarHBondContact O-N 3.47Å; A325-V327 HydrophobicContact CB-CG2 4.45Å; V327-V329 HydrophobicContact CB-CG2 4.47Å; V327-V329 HydrophobicContact CG1-CG2 4.43Å; V327-V329 PolarHBondContact O-N 2.88Å; V327-V329 VanDerWaalsContact O-N 3.15Å
328I98.9Very high97.6Very high1 Ų120.9 Ų20.91%0.00510%0.104CC..EExtended strand (participates in β ladder)trans-77.998.5172.7-58.4167.1000107.3F25 T27 K299 A301 A302 N369 Y372F25-I328 HydrophobicContact CB-CD1 4.17Å; F25-I328 HydrophobicContact CB-CG1 4.36Å; F25-I328 HydrophobicContact CB-CG2 3.9Å; F25-I328 HydrophobicContact CD1-CD1 3.76Å; F25-I328 HydrophobicContact CD2-CD1 3.62Å; F25-I328 HydrophobicContact CD2-CG1 3.65Å; F25-I328 HydrophobicContact CE1-CD1 3.97Å; F25-I328 HydrophobicContact CE2-CD1 3.84Å; F25-I328 HydrophobicContact CE2-CG1 4.04Å; F25-I328 HydrophobicContact CG-CD1 3.57Å; F25-I328 HydrophobicContact CG-CG1 3.98Å; F25-I328 HydrophobicContact CG-CG2 4.43Å; F25-I328 HydrophobicContact CZ-CD1 4.01Å; T27-I328 HydrophobicContact CG2-CB 4.42Å; T27-I328 HydrophobicContact CG2-CG1 3.73Å; K299-I328 HydrophobicContact CB-CD1 4.06Å; K299-I328 HydrophobicContact CD-CD1 4.35Å; A301-I328 CarbonylContact C-O 3.57Å; A301-I328 VanDerWaalsContact CA-O 3.23Å; A301-I328 WeakPolarHBondContact CA-O 3.4Å; A301-I328 HydrophobicContact CB-CB 4.3Å; A301-I328 HydrophobicContact CB-CG2 4.22Å; A302-I328 PolarHBondContact N-O 3.37Å; I328-N369 HydrophobicContact CG2-CB 4Å; I328-Y372 HydrophobicContact CD1-CD1 3.95Å; I328-Y372 HydrophobicContact CD1-CE1 3.39Å; I328-Y372 HydrophobicContact CD1-CE2 4.35Å; I328-Y372 HydrophobicContact CG2-CD1 3.88Å; I328-Y372 HydrophobicContact CG2-CE1 4.34Å
329V98.9Very high97.2Very high0 Ų017 Ų170%09%0.089CC..EExtended strand (participates in β ladder)trans-88.6125.4179.71760000110.3A302 L304 M322 L323 V327 M357 A365 N369A302-V329 HydrophobicContact CB-CG2 4.45Å; A302-V329 WeakPolarHBondContact O-CA 3.43Å; L304-V329 HydrophobicContact CD1-CG1 3.6Å; L304-V329 HydrophobicContact CG-CG1 3.97Å; M322-V329 HydrophobicContact CB-CG2 3.86Å; M322-V329 HydrophobicContact SD-CG2 4.41Å; L323-V329 HydrophobicContact CD2-CB 3.95Å; L323-V329 HydrophobicContact CD2-CG2 3.94Å; L323-V329 HydrophobicContact CG-CB 4.21Å; L323-V329 HydrophobicContact CG-CG2 3.8Å; V327-V329 HydrophobicContact CB-CG2 4.47Å; V327-V329 HydrophobicContact CG1-CG2 4.43Å; V327-V329 PolarHBondContact O-N 2.88Å; V327-V329 VanDerWaalsContact O-N 3.15Å; V329-M357 HydrophobicContact CG1-CE 4.12Å; V329-A365 WeakPolarHBondContact O-CB 3.43Å; V329-N369 WeakPolarHBondContact O-CB 3.35Å; V329-N369 PolarHBondContact O-ND2 2.97Å
330A98.9Very high96.9Very high0 Ų022.7 Ų22.70%011%0.111CC..EExtended strand (participates in β ladder)trans-119.2164.4174.700000110.3A302 V303 L304 A365 N369 A370 A373A302-A330 PolarHBondContact O-N 3.16Å; V303-A330 HydrophobicContact CG2-CB 4.15Å; L304-A330 PolarHBondContact N-O 2.99Å; A330-A365 WeakPolarHBondContact CA-O 3.06Å; A330-N369 HydrophobicContact CB-CB 4.22Å; A330-A370 HydrophobicContact CB-CB 4.36Å; A330-A373 HydrophobicContact CB-CB 4.17Å
331L98.9Very high96.7Very high0 Ų020.6 Ų20.60%011%0.105CC..EExtended strand (participates in β ladder)trans-119.9144.5176-70.4171.6000111.1A86 L304 P306 M344 V347 M348 A351 M357 A362 A365A86-L331 WeakPolarHBondContact CB-O 3.29Å; A86-L331 PolarHBondContact N-O 3.14Å; L304-L331 HydrophobicContact CB-CD2 4.14Å; P306-L331 HydrophobicContact CG-CD2 4.4Å; L331-M344 HydrophobicContact CB-CE 3.94Å; L331-V347 HydrophobicContact CB-CG1 3.92Å; L331-V347 HydrophobicContact CD1-CG1 4.37Å; L331-V347 HydrophobicContact CD2-CG1 4.31Å; L331-V347 HydrophobicContact CG-CG1 4.42Å; L331-M348 HydrophobicContact CD1-CG 4.01Å; L331-A351 HydrophobicContact CD1-CB 3.89Å; L331-A351 HydrophobicContact CD2-CB 3.8Å; L331-M357 HydrophobicContact CD2-SD 4.3Å; L331-A362 HydrophobicContact CD1-CB 4.35Å; L331-A365 HydrophobicContact CB-CB 4.43Å; L331-A365 HydrophobicContact CD1-CB 3.95Å; L331-A365 HydrophobicContact CG-CB 3.74Å; L331-A365 PolarHBondContact N-O 3.38Å
332G98.7Very high96.6Very high0 Ų018.9 Ų18.90%010%0.097CC..  trans-134.2153.3168.700000110.5D85 L304 L305 D334 V347D85-G332 WeakPolarHBondContact OD1-CA 3.49Å; L304-G332 PolarHBondContact O-N 3.33Å; L305-G332 WeakPolarHBondContact CD2-O 3.32Å; G332-D334 VanDerWaalsContact C-N 3.29Å; G332-V347 WeakPolarHBondContact O-CG1 3.42Å
333S98.6Very high96.5Very high0 Ų019.9 Ų19.90%010%0.104CC..  trans-79.4-16.6178.167.70000113.7D85 T88 T307 F335 C341D85-S333 VanDerWaalsContact CG-OG 3.3Å; D85-S333 PolarHBondContact OD1-N 3.41Å; D85-S333 PolarHBondContact OD1-OG 3.45Å; D85-S333 WeakPolarHBondContact OD2-CB 3.21Å; D85-S333 PolarHBondContact OD2-OG 2.8Å; T88-S333 WeakPolarHBondContact CG2-OG 3.34Å; T307-S333 PolarHBondContact OG1-O 3.27Å; S333-F335 PolarHBondContact O-N 3.13Å; S333-F335 WeakPolarHBondContact OG-CB 3.33Å; S333-F335 PolarHBondContact OG-N 3.13Å; S333-C341 WeakPolarHBondContact CB-O 3.37Å; S333-C341 PolarHBondContact OG-O 2.89Å
334D98.1Very high96.5Very high4 Ų419.6 Ų19.62%0.02110%0.103CC..  trans47.940.5-166.4-166.818.7000112H87 H89 H283 L305 T308 G332 N336 A339H87-D334 IonicContact CD2-OD1 2.63Å; H87-D334 PolarHBondContact CD2-OD1 3.26Å; H87-D334 IonicContact NE2-OD1 3.91Å; H87-D334 PolarHBondContact NE2-OD1 3.15Å; H87-D334 VanDerWaalsContact O-CA 3.25Å; H87-D334 WeakPolarHBondContact O-CA 3.47Å; H87-D334 PolarHBondContact O-N 3.3Å; H89-D334 IonicContact CD2-OD1 3.08Å; H89-D334 PolarHBondContact CD2-OD1 3.35Å; H89-D334 IonicContact NE2-OD1 3.24Å; H283-D334 IonicContact CE1-OD2 2.91Å; L305-D334 HydrophobicContact CB-CB 4.12Å; L305-D334 HydrophobicContact CD1-CB 3.91Å; L305-D334 HydrophobicContact CD2-CB 4.09Å; L305-D334 HydrophobicContact CG-CB 4.23Å; T308-D334 WeakPolarHBondContact OG1-CB 3.18Å; T308-D334 PolarHBondContact OG1-OD2 3.37Å; G332-D334 VanDerWaalsContact C-N 3.29Å; D334-N336 PolarHBondContact O-N 3.48Å; D334-N336 PolarHBondContact O-ND2 3.41Å; D334-N336 PolarHBondContact OD1-ND2 3.29Å; D334-N336 PolarHBondContact OD2-ND2 2.99Å; D334-N336 VanDerWaalsContact OD2-ND2 3.07Å; D334-A339 WeakPolarHBondContact O-CB 3.3Å
335F98.3Very high96.5Very high0 Ų013.2 Ų13.20%07%0.073CC..BIsolated β-bridgetrans-62.4107.1-175.6-178.1-126.4000110.7T88 H89 P90 W92 R141 M145 S333 Y340 C341 C342T88-F335 HydrophobicContact CG2-CB 3.87Å; H89-F335 CarbonylContact C-O 3.57Å; H89-F335 PolarHBondContact N-O 3.04Å; P90-F335 HydrophobicContact CB-CD1 4.49Å; W92-F335 HydrophobicContact CH2-CD1 4.32Å; W92-F335 AromaticContact CH2-CE1 3.66Å; W92-F335 HydrophobicContact CH2-CE1 3.66Å; W92-F335 HydrophobicContact CH2-CE2 4.1Å; W92-F335 AromaticContact CH2-CZ 3.55Å; W92-F335 HydrophobicContact CH2-CZ 3.55Å; W92-F335 HydrophobicContact CZ3-CD1 4.32Å; W92-F335 AromaticContact CZ3-CE1 3.96Å; W92-F335 HydrophobicContact CZ3-CE1 3.96Å; W92-F335 HydrophobicContact CZ3-CZ 4.32Å; R141-F335 HydrophobicContact CB-CE1 3.88Å; R141-F335 HydrophobicContact CG-CE1 3.75Å; R141-F335 HydrophobicContact CG-CZ 4.13Å; M145-F335 HydrophobicContact SD-CD1 4.23Å; S333-F335 PolarHBondContact O-N 3.13Å; S333-F335 WeakPolarHBondContact OG-CB 3.33Å; S333-F335 PolarHBondContact OG-N 3.13Å; F335-Y340 AromaticContact CE2-CD1 3.84Å; F335-Y340 HydrophobicContact CE2-CD1 3.84Å; F335-Y340 HydrophobicContact CE2-CD2 4.09Å; F335-Y340 AromaticContact CE2-CE1 3.96Å; F335-Y340 HydrophobicContact CE2-CE1 3.96Å; F335-Y340 HydrophobicContact CE2-CE2 4.27Å; F335-Y340 AromaticContact CE2-CG 3.89Å; F335-Y340 HydrophobicContact CE2-CG 3.89Å; F335-Y340 HydrophobicContact CZ-CE1 4.19Å; F335-Y340 HydrophobicContact CZ-CE2 4.32Å; F335-C341 VanDerWaalsContact CB-O 3.31Å; F335-C341 WeakPolarHBondContact CB-O 3.31Å; F335-C341 VanDerWaalsContact CD2-C 3.49Å; F335-C341 VanDerWaalsContact CD2-O 3.28Å; F335-C341 WeakPolarHBondContact CD2-O 3.4Å; F335-C342 HydrophobicContact CD1-CB 4.42Å; F335-C342 HydrophobicContact CD2-CB 4.12Å; F335-C342 HydrophobicContact CE1-CB 4.38Å; F335-C342 HydrophobicContact CE2-CB 4.07Å; F335-C342 HydrophobicContact CG-CB 4.28Å; F335-C342 HydrophobicContact CZ-CB 4.19Å
336N96.3Very high96.5Very high11 Ų1114 Ų146%0.0597%0.072CC..SBendtrans-148.4171.7-175.675.754.9000109.6H89 D334 N338 A339 Y340H89-N336 HydrophobicContact CB-CB 3.85Å; D334-N336 PolarHBondContact O-N 3.48Å; D334-N336 PolarHBondContact O-ND2 3.41Å; D334-N336 PolarHBondContact OD1-ND2 3.29Å; D334-N336 PolarHBondContact OD2-ND2 2.99Å; D334-N336 VanDerWaalsContact OD2-ND2 3.07Å; N336-N338 PolarHBondContact O-N 3.13Å; N336-N338 VanDerWaalsContact O-N 3.13Å; N336-N338 WeakPolarHBondContact OD1-CA 3.47Å; N336-N338 VanDerWaalsContact OD1-CB 3.3Å; N336-N338 WeakPolarHBondContact OD1-CB 3.2Å; N336-N338 PolarHBondContact OD1-N 3.17Å; N336-A339 PolarHBondContact N-O 3.42Å; N336-A339 CarbonylContact O-C 3.5Å; N336-A339 VanDerWaalsContact O-C 3.23Å; N336-A339 PolarHBondContact O-N 3.48Å; N336-A339 PolarHBondContact OD1-N 2.94Å; N336-Y340 PolarHBondContact O-N 2.85Å
337P93.4Very high96.5Very high11 Ų1113.8 Ų13.87%0.0717%0.07CC..SBendtrans-63-19.6-176.7-7.215.8000114.2W92 R96 T122 Y159W92-P337 HydrophobicContact CB-CG 4.23Å; W92-P337 HydrophobicContact CD2-CB 4.42Å; W92-P337 HydrophobicContact CD2-CG 3.74Å; W92-P337 HydrophobicContact CE3-CG 4.35Å; W92-P337 HydrophobicContact CG-CB 4.46Å; W92-P337 HydrophobicContact CG-CG 3.66Å; W92-P337 HydrophobicContact CZ2-CB 4.46Å; R96-P337 HydrophobicContact CG-CB 4.07Å; T122-P337 HydrophobicContact CG2-CG 3.76Å; Y159-P337 HydrophobicContact CE2-CG 3.92Å; Y159-P337 WeakPolarHBondContact OH-CD 3.37Å
338N86.9Confident96.5Very high30 Ų3013.8 Ų13.816%0.167%0.07CC..SBendtrans-93.3-46.8175.3175.775.6000111.8K103 N336 Y340K103-N338 PolarHBondContact NZ-OD1 3.28Å; N336-N338 PolarHBondContact O-N 3.13Å; N336-N338 VanDerWaalsContact O-N 3.13Å; N336-N338 WeakPolarHBondContact OD1-CA 3.47Å; N336-N338 VanDerWaalsContact OD1-CB 3.3Å; N336-N338 WeakPolarHBondContact OD1-CB 3.2Å; N336-N338 PolarHBondContact OD1-N 3.17Å; N338-Y340 PolarHBondContact O-N 2.82Å
339A89.9Confident96.5Very high0 Ų015.2 Ų15.20%08%0.076CC..SBendtrans-96.776.8174.600000111T308 I311 D334 N336 C341T308-A339 WeakPolarHBondContact OG1-CB 3.4Å; I311-A339 HydrophobicContact CD1-CB 4.03Å; D334-A339 WeakPolarHBondContact O-CB 3.3Å; N336-A339 PolarHBondContact N-O 3.42Å; N336-A339 CarbonylContact O-C 3.5Å; N336-A339 VanDerWaalsContact O-C 3.23Å; N336-A339 PolarHBondContact O-N 3.48Å; N336-A339 PolarHBondContact OD1-N 2.94Å; A339-C341 PolarHBondContact O-N 3.04Å
340Y92.1Very high96.4Very high122 Ų12216.2 Ų16.248%0.4788%0.082SC..  trans-79.463.1-174.3-153-78.1000112.4W92 R144 F335 N336 N338W92-Y340 HydrophobicContact CH2-CE2 4.3Å; W92-Y340 HydrophobicContact CZ2-CD2 4.25Å; W92-Y340 AromaticContact CZ2-CE2 3.82Å; W92-Y340 HydrophobicContact CZ2-CE2 3.82Å; R144-Y340 PolarHBondContact NH1-OH 3.44Å; R144-Y340 PolarHBondContact NH2-OH 3.26Å; F335-Y340 AromaticContact CE2-CD1 3.84Å; F335-Y340 HydrophobicContact CE2-CD1 3.84Å; F335-Y340 HydrophobicContact CE2-CD2 4.09Å; F335-Y340 AromaticContact CE2-CE1 3.96Å; F335-Y340 HydrophobicContact CE2-CE1 3.96Å; F335-Y340 HydrophobicContact CE2-CE2 4.27Å; F335-Y340 AromaticContact CE2-CG 3.89Å; F335-Y340 HydrophobicContact CE2-CG 3.89Å; F335-Y340 HydrophobicContact CZ-CE1 4.19Å; F335-Y340 HydrophobicContact CZ-CE2 4.32Å; N336-Y340 PolarHBondContact O-N 2.85Å; N338-Y340 PolarHBondContact O-N 2.82Å
341C94.4Very high96.4Very high12 Ų1216.2 Ų16.28%0.0818%0.082CC..  trans-120.3116.7173.1-1780000110.3T307 S333 F335 A339T307-C341 HydrophobicContact CG2-CB 3.54Å; S333-C341 WeakPolarHBondContact CB-O 3.37Å; S333-C341 PolarHBondContact OG-O 2.89Å; F335-C341 VanDerWaalsContact CB-O 3.31Å; F335-C341 WeakPolarHBondContact CB-O 3.31Å; F335-C341 VanDerWaalsContact CD2-C 3.49Å; F335-C341 VanDerWaalsContact CD2-O 3.28Å; F335-C341 WeakPolarHBondContact CD2-O 3.4Å; A339-C341 PolarHBondContact O-N 3.04Å
342C94.6Very high96.4Very high26 Ų2617.4 Ų17.418%0.1769%0.09CC..  trans-106.419.4177.961.40000113M145 F335M145-C342 HydrophobicContact CG-CB 3.71Å; F335-C342 HydrophobicContact CD1-CB 4.42Å; F335-C342 HydrophobicContact CD2-CB 4.12Å; F335-C342 HydrophobicContact CE1-CB 4.38Å; F335-C342 HydrophobicContact CE2-CB 4.07Å; F335-C342 HydrophobicContact CG-CB 4.28Å; F335-C342 HydrophobicContact CZ-CB 4.19Å
343S96.9Very high96.3Very high21 Ų2121.8 Ų21.815%0.14712%0.116CC..  trans-123100.8-169.1-177.80000111.7P345 L346 V347S343-P345 VanDerWaalsContact C-CD 3.46Å; S343-P345 VanDerWaalsContact C-N 3.32Å; S343-L346 WeakPolarHBondContact O-CB 3.41Å; S343-L346 PolarHBondContact O-N 2.89Å; S343-L346 VanDerWaalsContact O-N 3.08Å; S343-V347 WeakPolarHBondContact O-CG2 3.47Å; S343-V347 PolarHBondContact O-N 3.16Å; S343-V347 VanDerWaalsContact O-N 3.09Å
344M98.4Very high96.3Very high0 Ų024.4 Ų24.40%013%0.131CC..Hα-helixtrans-58.9-32.9173.4-73.8-55.2-62.800114.5L83 D85 L331 L346 V347 M348 A366L83-M344 HydrophobicContact CB-CB 4.2Å; L83-M344 HydrophobicContact CD1-CB 3.79Å; D85-M344 HydrophobicContact CB-CG 3.85Å; D85-M344 HydrophobicContact CB-SD 3.81Å; L331-M344 HydrophobicContact CB-CE 3.94Å; M344-L346 VanDerWaalsContact C-N 3.33Å; M344-L346 PolarHBondContact O-N 3.45Å; M344-V347 HydrophobicContact CE-CB 4.26Å; M344-V347 HydrophobicContact CE-CG1 4.05Å; M344-V347 WeakPolarHBondContact O-CB 3.28Å; M344-V347 PolarHBondContact O-N 2.88Å; M344-V347 HydrophobicContact SD-CB 4.18Å; M344-V347 HydrophobicContact SD-CG1 4.33Å; M344-V347 HydrophobicContact SD-CG2 3.99Å; M344-M348 WeakPolarHBondContact O-CG 3.44Å; M344-M348 PolarHBondContact O-N 3.01Å; M344-A366 HydrophobicContact CE-CB 3.76Å
345P98.4Very high96.3Very high0 Ų024.6 Ų24.60%013%0.131CC..Hα-helixtrans-57.1-43.2169.4-29.838000113.6L83 A148 S343 V347 M348 H349 L402 H409 I413L83-P345 HydrophobicContact CD1-CG 3.91Å; A148-P345 WeakPolarHBondContact O-CD 3.23Å; A148-P345 WeakPolarHBondContact O-CG 3.23Å; S343-P345 VanDerWaalsContact C-CD 3.46Å; S343-P345 VanDerWaalsContact C-N 3.32Å; P345-V347 VanDerWaalsContact C-N 3.34Å; P345-V347 PolarHBondContact O-N 3.02Å; P345-M348 PolarHBondContact O-N 3.5Å; P345-H349 PolarHBondContact O-N 3.15Å; P345-L402 HydrophobicContact CB-CD1 4.08Å; P345-L402 HydrophobicContact CB-CG 4.45Å; P345-L402 HydrophobicContact CG-CD1 3.73Å; P345-L402 HydrophobicContact CG-CG 4.35Å; P345-H409 HydrophobicContact CB-CB 4.36Å; P345-H409 WeakPolarHBondContact CB-CD2 3.49Å; P345-H409 VanDerWaalsContact CB-NE2 3.34Å; P345-H409 WeakPolarHBondContact CB-NE2 3.38Å; P345-H409 HydrophobicContact CG-CB 4.39Å; P345-I413 HydrophobicContact CG-CD1 4.5Å
346L97.8Very high96.3Very high51 Ų5134.1 Ų34.127%0.26717%0.167SC..Hα-helixtrans-66.1-37.2174.8-17760.6000111.9S343 M344 H349 L350 L406S343-L346 WeakPolarHBondContact O-CB 3.41Å; S343-L346 PolarHBondContact O-N 2.89Å; S343-L346 VanDerWaalsContact O-N 3.08Å; M344-L346 VanDerWaalsContact C-N 3.33Å; M344-L346 PolarHBondContact O-N 3.45Å; L346-H349 WeakPolarHBondContact O-CB 3.17Å; L346-H349 PolarHBondContact O-N 3.28Å; L346-L350 HydrophobicContact CD1-CG 4.45Å; L346-L350 HydrophobicContact CG-CD1 4.37Å; L346-L350 WeakPolarHBondContact O-CG 3.22Å; L346-L350 PolarHBondContact O-N 3.07Å; L346-L406 HydrophobicContact CD1-CD1 3.64Å
347V98.6Very high96.4Very high0 Ų034.1 Ų34.10%017%0.167CC..Hα-helixtrans-59.1-49.1173.9176.30000110.6P306 T307 L331 G332 S343 M344 P345 H349 L350 A351P306-V347 HydrophobicContact CG-CB 4.47Å; P306-V347 HydrophobicContact CG-CG1 3.65Å; P306-V347 WeakPolarHBondContact CG-O 3.37Å; T307-V347 HydrophobicContact CG2-CG2 3.84Å; L331-V347 HydrophobicContact CB-CG1 3.92Å; L331-V347 HydrophobicContact CD1-CG1 4.37Å; L331-V347 HydrophobicContact CD2-CG1 4.31Å; L331-V347 HydrophobicContact CG-CG1 4.42Å; G332-V347 WeakPolarHBondContact O-CG1 3.42Å; S343-V347 WeakPolarHBondContact O-CG2 3.47Å; S343-V347 PolarHBondContact O-N 3.16Å; S343-V347 VanDerWaalsContact O-N 3.09Å; M344-V347 HydrophobicContact CE-CB 4.26Å; M344-V347 HydrophobicContact CE-CG1 4.05Å; M344-V347 WeakPolarHBondContact O-CB 3.28Å; M344-V347 PolarHBondContact O-N 2.88Å; M344-V347 HydrophobicContact SD-CB 4.18Å; M344-V347 HydrophobicContact SD-CG1 4.33Å; M344-V347 HydrophobicContact SD-CG2 3.99Å; P345-V347 VanDerWaalsContact C-N 3.34Å; P345-V347 PolarHBondContact O-N 3.02Å; V347-H349 VanDerWaalsContact C-N 3.33Å; V347-H349 PolarHBondContact O-N 2.86Å; V347-L350 PolarHBondContact O-N 3.46Å; V347-A351 WeakPolarHBondContact O-CB 3.43Å; V347-A351 PolarHBondContact O-N 3.29Å
348M98.7Very high96.6Very high0 Ų035.6 Ų35.60%018%0.178CC..Hα-helixtrans-60.5-41.9176.3-71.6-172.7-70.600112.1L83 L331 M344 P345 A351 C352 A362 L363 A366 L402 I403L83-M348 HydrophobicContact CD1-CE 4.13Å; L83-M348 HydrophobicContact CD2-CE 3.97Å; L331-M348 HydrophobicContact CD1-CG 4.01Å; M344-M348 WeakPolarHBondContact O-CG 3.44Å; M344-M348 PolarHBondContact O-N 3.01Å; P345-M348 PolarHBondContact O-N 3.5Å; M348-A351 PolarHBondContact O-N 2.9Å; M348-C352 PolarHBondContact O-N 3.22Å; M348-C352 PolarHBondContact O-SG 2.92Å; M348-A362 HydrophobicContact CB-CB 4.06Å; M348-A362 HydrophobicContact CG-CB 4.19Å; M348-L363 HydrophobicContact SD-CB 4.49Å; M348-L363 HydrophobicContact SD-CD1 4.13Å; M348-A366 HydrophobicContact CG-CB 3.67Å; M348-A366 HydrophobicContact SD-CB 3.58Å; M348-A366 VanDerWaalsContact SD-CB 3.58Å; M348-L402 HydrophobicContact CE-CD2 3.94Å; M348-L402 HydrophobicContact CE-CG 4.02Å; M348-I403 HydrophobicContact CB-CD1 4.16Å; M348-I403 HydrophobicContact CB-CG1 4.01Å; M348-I403 HydrophobicContact CB-CG2 4.18Å; M348-I403 HydrophobicContact CE-CD1 4.48Å; M348-I403 HydrophobicContact CE-CG1 4.01Å; M348-I403 HydrophobicContact SD-CD1 3.8Å; M348-I403 HydrophobicContact SD-CG1 3.98Å
349H98.5Very high97.2Very high31 Ų3137.4 Ų37.414%0.14419%0.186CC..Hα-helixtrans-59.3-50.6176.5-17499.8000111.4P345 L346 V347 A351 C352 V353 I403P345-H349 PolarHBondContact O-N 3.15Å; L346-H349 WeakPolarHBondContact O-CB 3.17Å; L346-H349 PolarHBondContact O-N 3.28Å; V347-H349 VanDerWaalsContact C-N 3.33Å; V347-H349 PolarHBondContact O-N 2.86Å; H349-A351 VanDerWaalsContact C-N 3.29Å; H349-A351 PolarHBondContact O-N 3.07Å; H349-C352 PolarHBondContact O-N 3.4Å; H349-C352 VanDerWaalsContact O-N 3.17Å; H349-V353 WeakPolarHBondContact O-CG2 3.43Å; H349-V353 PolarHBondContact O-N 3.04Å; H349-I403 PolarHBondContact ND1-O 2.89Å
350L98.1Very high97.6Very high21 Ų2138.9 Ų38.911%0.1120%0.195CC..Hα-helixtrans-62.7-37.1178.2-68.8172.8000111.9P306 T307 L346 V347 C352 V353 N354P306-L350 HydrophobicContact CB-CB 3.8Å; P306-L350 HydrophobicContact CG-CB 4.23Å; T307-L350 HydrophobicContact CG2-CD1 4.01Å; L346-L350 HydrophobicContact CD1-CG 4.45Å; L346-L350 HydrophobicContact CG-CD1 4.37Å; L346-L350 WeakPolarHBondContact O-CG 3.22Å; L346-L350 PolarHBondContact O-N 3.07Å; V347-L350 PolarHBondContact O-N 3.46Å; L350-C352 VanDerWaalsContact C-N 3.33Å; L350-C352 PolarHBondContact O-N 2.92Å; L350-V353 PolarHBondContact O-N 2.85Å; L350-N354 VanDerWaalsContact O-CB 3.27Å; L350-N354 WeakPolarHBondContact O-CB 3.45Å; L350-N354 PolarHBondContact O-N 2.92Å
351A98.6Very high97.9Very high0 Ų034 Ų340%018%0.176CC..Hα-helixtrans-63.9-39.1175.700000111.9P306 L331 V347 M348 H349 M355 R356 M357P306-A351 HydrophobicContact CG-CB 4.37Å; L331-A351 HydrophobicContact CD1-CB 3.89Å; L331-A351 HydrophobicContact CD2-CB 3.8Å; V347-A351 WeakPolarHBondContact O-CB 3.43Å; V347-A351 PolarHBondContact O-N 3.29Å; M348-A351 PolarHBondContact O-N 2.9Å; H349-A351 VanDerWaalsContact C-N 3.29Å; H349-A351 PolarHBondContact O-N 3.07Å; A351-M355 HydrophobicContact CB-SD 4.01Å; A351-M355 CarbonylContact O-C 3.56Å; A351-M355 WeakPolarHBondContact O-CA 3.34Å; A351-M355 VanDerWaalsContact O-CB 3.25Å; A351-M355 WeakPolarHBondContact O-CB 3.25Å; A351-M355 PolarHBondContact O-N 3.02Å; A351-M355 VanDerWaalsContact O-N 3.12Å; A351-R356 PolarHBondContact O-N 2.86Å; A351-M357 HydrophobicContact CB-CG 4.4Å; A351-M357 HydrophobicContact CB-SD 3.58Å; A351-M357 VanDerWaalsContact CB-SD 3.58Å; A351-M357 PolarHBondContact O-N 2.82Å
352C98.6Very high98.1Very high26 Ų2633.4 Ų33.418%0.17617%0.172CC..Hα-helixtrans-65.7-47.8174.3-64.80000111.8M348 H349 L350 R356 M357M348-C352 PolarHBondContact O-N 3.22Å; M348-C352 PolarHBondContact O-SG 2.92Å; H349-C352 PolarHBondContact O-N 3.4Å; H349-C352 VanDerWaalsContact O-N 3.17Å; L350-C352 VanDerWaalsContact C-N 3.33Å; L350-C352 PolarHBondContact O-N 2.92Å; C352-R356 VanDerWaalsContact O-CA 3.3Å; C352-R356 WeakPolarHBondContact O-CA 3.42Å; C352-R356 PolarHBondContact O-N 2.87Å; C352-M357 WeakPolarHBondContact CA-O 3.37Å
353V98Very high98.3Very high91 Ų9132.1 Ų32.155%0.55216%0.164SC*.Hα-helixtrans-74-47.7-173.9176.50000112.2H349 L350H349-V353 WeakPolarHBondContact O-CG2 3.43Å; H349-V353 PolarHBondContact O-N 3.04Å; L350-V353 PolarHBondContact O-N 2.85Å
354N97.6Very high98.4Very high56 Ų5631.1 Ų31.130%0.29916%0.157SC..Hα-helixtrans-92.7-35.3-170.8-61.6-20.8000112.6Q316 L350Q316-N354 HydrophobicContact CG-CB 3.95Å; L350-N354 VanDerWaalsContact O-CB 3.27Å; L350-N354 WeakPolarHBondContact O-CB 3.45Å; L350-N354 PolarHBondContact O-N 2.92Å
355M98.1Very high98.4Very high7 Ų731.1 Ų31.13%0.03416%0.157CC..Hα-helixtrans-101.92.5-177.5-53.4164.2167.100113.1L304 P306 Q316 P317 A319 R320 A351 M357L304-M355 HydrophobicContact CB-CE 4Å; L304-M355 HydrophobicContact CB-SD 4.25Å; L304-M355 HydrophobicContact CD1-SD 4.24Å; P306-M355 HydrophobicContact CB-CE 3.46Å; P306-M355 VanDerWaalsContact CB-CE 3.46Å; P306-M355 HydrophobicContact CB-SD 4.1Å; P306-M355 HydrophobicContact CG-CE 4.13Å; Q316-M355 HydrophobicContact CB-CG 4.33Å; P317-M355 HydrophobicContact CB-CE 4.5Å; P317-M355 HydrophobicContact CG-CE 3.9Å; A319-M355 HydrophobicContact CB-CB 3.81Å; R320-M355 PolarHBondContact NE-O 3.38Å; A351-M355 HydrophobicContact CB-SD 4.01Å; A351-M355 CarbonylContact O-C 3.56Å; A351-M355 WeakPolarHBondContact O-CA 3.34Å; A351-M355 VanDerWaalsContact O-CB 3.25Å; A351-M355 WeakPolarHBondContact O-CB 3.25Å; A351-M355 PolarHBondContact O-N 3.02Å; A351-M355 VanDerWaalsContact O-N 3.12Å; M355-M357 HydrophobicContact CB-CG 4.38Å; M355-M357 PolarHBondContact O-N 2.97Å
356R97.9Very high98.4Very high201 Ų20131.1 Ų31.176%0.75816%0.157SC*.  trans57.532.7179.2-53.7-179.3-178.3-177.70.9113.3R320 A351 C352R320-R356 HydrophobicContact CG-CB 4.36Å; R320-R356 PolarHBondContact NE-O 3.33Å; R320-R356 VanDerWaalsContact NE-O 3.15Å; A351-R356 PolarHBondContact O-N 2.86Å; C352-R356 VanDerWaalsContact O-CA 3.3Å; C352-R356 WeakPolarHBondContact O-CA 3.42Å; C352-R356 PolarHBondContact O-N 2.87Å
357M98.5Very high98.5Very high10 Ų1028.7 Ų28.75%0.04914%0.144CC..  trans-68.9144.8169.1-64179.274.800111.4L323 V329 L331 A351 C352 M355 E361 A362 A365L323-M357 HydrophobicContact CD1-CE 4.38Å; L323-M357 HydrophobicContact CD1-CG 4.41Å; V329-M357 HydrophobicContact CG1-CE 4.12Å; L331-M357 HydrophobicContact CD2-SD 4.3Å; A351-M357 HydrophobicContact CB-CG 4.4Å; A351-M357 HydrophobicContact CB-SD 3.58Å; A351-M357 VanDerWaalsContact CB-SD 3.58Å; A351-M357 PolarHBondContact O-N 2.82Å; C352-M357 WeakPolarHBondContact CA-O 3.37Å; M355-M357 HydrophobicContact CB-CG 4.38Å; M355-M357 PolarHBondContact O-N 2.97Å; M357-E361 VanDerWaalsContact CA-OE2 3.31Å; M357-E361 WeakPolarHBondContact CA-OE2 3.36Å; M357-E361 HydrophobicContact CB-CB 4.37Å; M357-E361 HydrophobicContact CE-CB 3.95Å; M357-A362 HydrophobicContact CB-CB 4.49Å; M357-A365 HydrophobicContact CE-CB 3.78Å
358S98.5Very high98.5Very high43 Ų4328.7 Ų28.730%0.30114%0.144SC..  trans-72.6159.2163.779.70000109.7T360 E361 A362S358-T360 PolarHBondContact O-N 2.85Å; S358-T360 PolarHBondContact OG-N 3.34Å; S358-T360 PolarHBondContact OG-OG1 3.36Å; S358-E361 PolarHBondContact N-OE2 2.87Å; S358-E361 PolarHBondContact O-N 3.13Å; S358-E361 WeakPolarHBondContact OG-CB 3.17Å; S358-E361 VanDerWaalsContact OG-CG 3.26Å; S358-E361 WeakPolarHBondContact OG-CG 3.47Å; S358-E361 PolarHBondContact OG-N 3.43Å; S358-E361 VanDerWaalsContact OG-N 3.08Å; S358-A362 WeakPolarHBondContact O-CB 3.46Å; S358-A362 PolarHBondContact O-N 2.85Å
359M98.4Very high98.5Very high67 Ų6728.7 Ų28.733%0.3314%0.144SC..Hα-helixtrans-61.2-33.4175.7-70.3-178.6-179.500112L363 W399 E400 I403M359-L363 WeakPolarHBondContact O-CB 3.41Å; M359-L363 PolarHBondContact O-N 2.91Å; M359-W399 HydrophobicContact CB-CH2 3.84Å; M359-W399 HydrophobicContact CB-CZ3 4.12Å; M359-E400 HydrophobicContact SD-CB 3.83Å; M359-E400 HydrophobicContact SD-CG 4.1Å; M359-I403 HydrophobicContact CB-CD1 4.03Å; M359-I403 HydrophobicContact CG-CB 4.26Å; M359-I403 HydrophobicContact CG-CD1 4.41Å; M359-I403 HydrophobicContact CG-CG2 4.03Å; M359-I403 VanDerWaalsContact O-CD1 3.29Å; M359-I403 WeakPolarHBondContact O-CD1 3.28Å
360T98.6Very high98.5Very high31 Ų3127.2 Ų27.219%0.1914%0.138CC..Hα-helixtrans-70.1-40.9177.859.80000111.3M31 L34 S358 L363 A364 W399M31-T360 CarbonylContact O-C 3.57Å; M31-T360 WeakPolarHBondContact O-CB 3.35Å; M31-T360 PolarHBondContact O-OG1 3.02Å; L34-T360 HydrophobicContact CD1-CG2 4.29Å; L34-T360 HydrophobicContact CG-CG2 4.26Å; S358-T360 PolarHBondContact O-N 2.85Å; S358-T360 PolarHBondContact OG-N 3.34Å; S358-T360 PolarHBondContact OG-OG1 3.36Å; T360-L363 PolarHBondContact O-N 2.99Å; T360-A364 WeakPolarHBondContact O-CB 3.48Å; T360-A364 PolarHBondContact O-N 3.47Å; T360-W399 HydrophobicContact CG2-CH2 4.03Å; T360-W399 HydrophobicContact CG2-CZ2 3.97Å
361E98.8Very high98.6Very high19 Ų1926.2 Ų26.29%0.08913%0.132CC..Hα-helixtrans-62.8-46.6174.4-72.4170.3160.900111.2M31 R320 M357 S358 L363 A364 A365M31-E361 HydrophobicContact CB-CG 3.97Å; M31-E361 HydrophobicContact CE-CB 4.08Å; M31-E361 HydrophobicContact CE-CG 4.44Å; M31-E361 VanDerWaalsContact CE-O 3.24Å; M31-E361 WeakPolarHBondContact CE-O 3.17Å; R320-E361 IonicContact CZ-OE1 3.39Å; R320-E361 IonicContact CZ-OE2 2.73Å; R320-E361 VanDerWaalsContact CZ-OE2 3.23Å; R320-E361 VanDerWaalsContact NH1-CD 3.3Å; R320-E361 IonicContact NH1-OE1 3.68Å; R320-E361 PolarHBondContact NH1-OE1 2.65Å; R320-E361 IonicContact NH1-OE2 2.78Å; R320-E361 PolarHBondContact NH1-OE2 3.49Å; R320-E361 IonicContact NH2-OE1 2.74Å; R320-E361 IonicContact NH2-OE2 3.79Å; R320-E361 PolarHBondContact NH2-OE2 2.8Å; M357-E361 VanDerWaalsContact CA-OE2 3.31Å; M357-E361 WeakPolarHBondContact CA-OE2 3.36Å; M357-E361 HydrophobicContact CB-CB 4.37Å; M357-E361 HydrophobicContact CE-CB 3.95Å; S358-E361 PolarHBondContact N-OE2 2.87Å; S358-E361 PolarHBondContact O-N 3.13Å; S358-E361 WeakPolarHBondContact OG-CB 3.17Å; S358-E361 VanDerWaalsContact OG-CG 3.26Å; S358-E361 WeakPolarHBondContact OG-CG 3.47Å; S358-E361 PolarHBondContact OG-N 3.43Å; S358-E361 VanDerWaalsContact OG-N 3.08Å; E361-L363 PolarHBondContact O-N 2.98Å; E361-A364 PolarHBondContact O-N 3.02Å; E361-A365 WeakPolarHBondContact O-CB 3.3Å; E361-A365 PolarHBondContact O-N 3.33Å
362A98.8Very high98.6Very high0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-63-41.6179.100000111.8L331 M348 M357 S358 A365 A366 I403L331-A362 HydrophobicContact CD1-CB 4.35Å; M348-A362 HydrophobicContact CB-CB 4.06Å; M348-A362 HydrophobicContact CG-CB 4.19Å; M357-A362 HydrophobicContact CB-CB 4.49Å; S358-A362 WeakPolarHBondContact O-CB 3.46Å; S358-A362 PolarHBondContact O-N 2.85Å; A362-A365 PolarHBondContact O-N 2.94Å; A362-A366 WeakPolarHBondContact O-CB 3.29Å; A362-A366 PolarHBondContact O-N 2.89Å; A362-I403 HydrophobicContact CB-CD1 4.16Å
363L98.8Very high98.6Very high0 Ų027 Ų270%013%0.132CC..Hα-helixtrans-65.9-44.3176.8-176.260.2000112.1V16 I18 L34 L80 L83 M348 M359 T360 E361 A365 A366 T367 W399 I403V16-L363 HydrophobicContact CG1-CD2 3.96Å; I18-L363 HydrophobicContact CD1-CD1 4.41Å; I18-L363 HydrophobicContact CD1-CD2 3.68Å; I18-L363 HydrophobicContact CD1-CG 3.62Å; L34-L363 HydrophobicContact CD1-CB 4.13Å; L34-L363 HydrophobicContact CD1-CD2 3.75Å; L34-L363 HydrophobicContact CD1-CG 4.2Å; L80-L363 HydrophobicContact CD2-CD1 3.85Å; L80-L363 HydrophobicContact CD2-CD2 3.88Å; L83-L363 HydrophobicContact CD2-CD1 4.32Å; M348-L363 HydrophobicContact SD-CB 4.49Å; M348-L363 HydrophobicContact SD-CD1 4.13Å; M359-L363 WeakPolarHBondContact O-CB 3.41Å; M359-L363 PolarHBondContact O-N 2.91Å; T360-L363 PolarHBondContact O-N 2.99Å; E361-L363 PolarHBondContact O-N 2.98Å; L363-A365 VanDerWaalsContact C-N 3.29Å; L363-A365 PolarHBondContact O-N 2.89Å; L363-A366 PolarHBondContact O-N 3.49Å; L363-T367 HydrophobicContact CD1-CG2 3.97Å; L363-T367 WeakPolarHBondContact O-CB 3.27Å; L363-T367 WeakPolarHBondContact O-CG2 3.38Å; L363-T367 PolarHBondContact O-N 3.24Å; L363-T367 VanDerWaalsContact O-N 3.14Å; L363-T367 PolarHBondContact O-OG1 3.34Å; L363-W399 HydrophobicContact CB-CH2 4.42Å; L363-W399 HydrophobicContact CB-CZ3 3.92Å; L363-W399 HydrophobicContact CD2-CD2 4Å; L363-W399 HydrophobicContact CD2-CE3 3.49Å; L363-W399 VanDerWaalsContact CD2-CE3 3.49Å; L363-W399 HydrophobicContact CD2-CH2 4.19Å; L363-W399 HydrophobicContact CD2-CZ3 3.59Å; L363-W399 HydrophobicContact CG-CZ3 4.33Å; L363-I403 HydrophobicContact CB-CD1 4.21Å
364A98.8Very high98.6Very high0 Ų022.8 Ų22.80%011%0.106CC..Hα-helixtrans-61.4-39.7173.900000111.9L26 M31 L34 T360 E361 A366 T367 I368 N369L26-A364 HydrophobicContact CD1-CB 4.15Å; M31-A364 HydrophobicContact CE-CB 3.95Å; M31-A364 HydrophobicContact CG-CB 4.21Å; L34-A364 HydrophobicContact CD2-CB 4.12Å; T360-A364 WeakPolarHBondContact O-CB 3.48Å; T360-A364 PolarHBondContact O-N 3.47Å; E361-A364 PolarHBondContact O-N 3.02Å; A364-A366 PolarHBondContact O-N 2.82Å; A364-T367 PolarHBondContact O-N 3.44Å; A364-I368 HydrophobicContact CB-CG2 4.44Å; A364-I368 PolarHBondContact O-N 3.14Å; A364-N369 PolarHBondContact O-N 3.22Å
365A98.9Very high98.7Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-65-35.5178.300000113M31 V329 A330 L331 M357 E361 A362 L363 A370M31-A365 HydrophobicContact CE-CB 4.32Å; V329-A365 WeakPolarHBondContact O-CB 3.43Å; A330-A365 WeakPolarHBondContact CA-O 3.06Å; L331-A365 HydrophobicContact CB-CB 4.43Å; L331-A365 HydrophobicContact CD1-CB 3.95Å; L331-A365 HydrophobicContact CG-CB 3.74Å; L331-A365 PolarHBondContact N-O 3.38Å; M357-A365 HydrophobicContact CE-CB 3.78Å; E361-A365 WeakPolarHBondContact O-CB 3.3Å; E361-A365 PolarHBondContact O-N 3.33Å; A362-A365 PolarHBondContact O-N 2.94Å; L363-A365 VanDerWaalsContact C-N 3.29Å; L363-A365 PolarHBondContact O-N 2.89Å; A365-A370 WeakPolarHBondContact O-CB 3.35Å; A365-A370 PolarHBondContact O-N 3.46Å
366A98.9Very high98.7Very high0 Ų023.4 Ų23.40%012%0.118CC..THydrogen-bonded Turntrans-915.4177.300000114.4L83 V84 M344 M348 A362 L363 A364L83-A366 HydrophobicContact CD2-CB 4.38Å; V84-A366 PolarHBondContact N-O 3.35Å; M344-A366 HydrophobicContact CE-CB 3.76Å; M348-A366 HydrophobicContact CG-CB 3.67Å; M348-A366 HydrophobicContact SD-CB 3.58Å; M348-A366 VanDerWaalsContact SD-CB 3.58Å; A362-A366 WeakPolarHBondContact O-CB 3.29Å; A362-A366 PolarHBondContact O-N 2.89Å; L363-A366 PolarHBondContact O-N 3.49Å; A364-A366 PolarHBondContact O-N 2.82Å
367T98.9Very high98.7Very high0 Ų014.1 Ų14.10%08%0.084CC..THydrogen-bonded Turntrans-128.8-95178.956.30000111I18 P81 L83 L363 A364 N369 A370 A371 G381I18-T367 HydrophobicContact CD1-CG2 4.38Å; I18-T367 HydrophobicContact CG1-CG2 4.48Å; P81-T367 HydrophobicContact CG-CG2 4.46Å; L83-T367 HydrophobicContact CD2-CG2 4Å; L363-T367 HydrophobicContact CD1-CG2 3.97Å; L363-T367 WeakPolarHBondContact O-CB 3.27Å; L363-T367 WeakPolarHBondContact O-CG2 3.38Å; L363-T367 PolarHBondContact O-N 3.24Å; L363-T367 VanDerWaalsContact O-N 3.14Å; L363-T367 PolarHBondContact O-OG1 3.34Å; A364-T367 PolarHBondContact O-N 3.44Å; T367-N369 PolarHBondContact O-N 3.37Å; T367-A370 PolarHBondContact O-N 3.41Å; T367-A371 WeakPolarHBondContact O-CB 3.45Å; T367-A371 PolarHBondContact O-N 2.83Å; T367-G381 WeakPolarHBondContact CB-O 3.41Å
368I98.9Very high98.7Very high0 Ų018.4 Ų18.40%011%0.107CC..Hα-helixtrans-65.7-38.9-171.9-167.162.2000112.8I18 L26 A364 A371 Y372 G381I18-I368 HydrophobicContact CG2-CB 3.94Å; I18-I368 HydrophobicContact CG2-CG2 3.57Å; L26-I368 HydrophobicContact CB-CG2 4.46Å; L26-I368 HydrophobicContact CD1-CG2 3.94Å; L26-I368 HydrophobicContact CG-CG2 3.95Å; A364-I368 HydrophobicContact CB-CG2 4.44Å; A364-I368 PolarHBondContact O-N 3.14Å; I368-A371 PolarHBondContact O-N 3.42Å; I368-Y372 PolarHBondContact O-N 3.3Å; I368-G381 WeakPolarHBondContact CB-O 3.48Å; I368-G381 PolarHBondContact N-O 2.85Å
369N98.9Very high98.7Very high0 Ų018.6 Ų18.60%011%0.106CC..Hα-helixtrans-76.1-37.5-179.7-71.3-0.4000111.8F25 L26 I328 V329 A330 A364 T367 A371 Y372 A373F25-N369 WeakPolarHBondContact CA-OD1 3.39Å; F25-N369 WeakPolarHBondContact CB-OD1 3.38Å; L26-N369 PolarHBondContact N-OD1 2.91Å; L26-N369 PolarHBondContact O-ND2 3.05Å; L26-N369 PolarHBondContact O-OD1 2.82Å; I328-N369 HydrophobicContact CG2-CB 4Å; V329-N369 WeakPolarHBondContact O-CB 3.35Å; V329-N369 PolarHBondContact O-ND2 2.97Å; A330-N369 HydrophobicContact CB-CB 4.22Å; A364-N369 PolarHBondContact O-N 3.22Å; T367-N369 PolarHBondContact O-N 3.37Å; N369-A371 VanDerWaalsContact C-N 3.32Å; N369-Y372 WeakPolarHBondContact O-CB 3.29Å; N369-Y372 PolarHBondContact O-N 3.49Å; N369-A373 PolarHBondContact O-N 2.97Å
370A98.9Very high98.7Very high0 Ų015.7 Ų15.70%09%0.092CC..Hα-helixtrans-62.7-39.6169.700000111.4V84 A86 A330 A365 T367 Y372 A373 L374V84-A370 HydrophobicContact CB-CB 3.64Å; V84-A370 HydrophobicContact CG1-CB 3.72Å; A86-A370 HydrophobicContact CB-CB 3.87Å; A330-A370 HydrophobicContact CB-CB 4.36Å; A365-A370 WeakPolarHBondContact O-CB 3.35Å; A365-A370 PolarHBondContact O-N 3.46Å; T367-A370 PolarHBondContact O-N 3.41Å; A370-Y372 VanDerWaalsContact C-N 3.31Å; A370-Y372 PolarHBondContact O-N 3.46Å; A370-A373 PolarHBondContact O-N 2.98Å; A370-L374 WeakPolarHBondContact O-CG 3.33Å; A370-L374 PolarHBondContact O-N 3.36Å
371A98.9Very high98.7Very high0 Ų014.3 Ų14.30%08%0.084CC..Hα-helixtrans-62.5-38.1171.800000112V84 T367 I368 N369 L374 G375 R376 S377 H380V84-A371 HydrophobicContact CG2-CB 4.19Å; T367-A371 WeakPolarHBondContact O-CB 3.45Å; T367-A371 PolarHBondContact O-N 2.83Å; I368-A371 PolarHBondContact O-N 3.42Å; N369-A371 VanDerWaalsContact C-N 3.32Å; A371-L374 PolarHBondContact O-N 3.15Å; A371-G375 PolarHBondContact O-N 3.21Å; A371-R376 CarbonylContact O-C 3.48Å; A371-R376 WeakPolarHBondContact O-CA 3.42Å; A371-R376 PolarHBondContact O-N 2.87Å; A371-S377 PolarHBondContact O-N 3.39Å; A371-H380 HydrophobicContact CB-CB 4.25Å
372Y98.9Very high98.7Very high42 Ų4213.5 Ų13.517%0.1658%0.081CC..Hα-helixtrans-63.7-46175176.7-91.7000112.1K24 F25 L279 K299 A301 I328 I368 N369 A370 L374 G375K24-Y372 HydrophobicContact CB-CD2 4.33Å; K24-Y372 WeakPolarHBondContact O-CB 3.41Å; F25-Y372 HydrophobicContact CB-CD2 4.08Å; F25-Y372 HydrophobicContact CB-CG 4.01Å; F25-Y372 AromaticContact CD1-CD2 3.62Å; F25-Y372 HydrophobicContact CD1-CD2 3.62Å; F25-Y372 AromaticContact CD1-CE2 3.48Å; F25-Y372 HydrophobicContact CD1-CE2 3.48Å; F25-Y372 VanDerWaalsContact CD1-CE2 3.48Å; F25-Y372 HydrophobicContact CD1-CG 4.3Å; F25-Y372 HydrophobicContact CE1-CE2 4Å; F25-Y372 HydrophobicContact CG-CD2 4.28Å; F25-Y372 HydrophobicContact CG-CE2 4.42Å; L279-Y372 HydrophobicContact CD1-CE1 4.41Å; K299-Y372 WeakPolarHBondContact CB-OH 3.11Å; K299-Y372 WeakPolarHBondContact O-CE1 3.28Å; K299-Y372 PolarHBondContact O-OH 2.85Å; A301-Y372 HydrophobicContact CB-CD1 4.08Å; A301-Y372 HydrophobicContact CB-CE1 4.25Å; I328-Y372 HydrophobicContact CD1-CD1 3.95Å; I328-Y372 HydrophobicContact CD1-CE1 3.39Å; I328-Y372 HydrophobicContact CD1-CE2 4.35Å; I328-Y372 HydrophobicContact CG2-CD1 3.88Å; I328-Y372 HydrophobicContact CG2-CE1 4.34Å; I368-Y372 PolarHBondContact O-N 3.3Å; N369-Y372 WeakPolarHBondContact O-CB 3.29Å; N369-Y372 PolarHBondContact O-N 3.49Å; A370-Y372 VanDerWaalsContact C-N 3.31Å; A370-Y372 PolarHBondContact O-N 3.46Å; Y372-L374 PolarHBondContact O-N 2.93Å; Y372-G375 PolarHBondContact O-N 3.24Å
373A98.8Very high98.7Very high0 Ų013.5 Ų13.50%08%0.081CC..Hα-helixtrans-58.4-21.1178.500000113.2A86 N258 L279 A280 A301 V303 A330 N369 A370A86-A373 HydrophobicContact CB-CB 4.48Å; N258-A373 PolarHBondContact ND2-O 2.76Å; L279-A373 VanDerWaalsContact CD2-O 3.31Å; L279-A373 WeakPolarHBondContact CD2-O 3.27Å; L279-A373 WeakPolarHBondContact CG-O 3.37Å; A280-A373 HydrophobicContact CB-CB 3.98Å; A301-A373 HydrophobicContact CB-CB 3.9Å; V303-A373 HydrophobicContact CG2-CB 3.8Å; A330-A373 HydrophobicContact CB-CB 4.17Å; N369-A373 PolarHBondContact O-N 2.97Å; A370-A373 PolarHBondContact O-N 2.98Å
374L98.8Very high98.6Very high2 Ų214.5 Ų14.51%0.019%0.085CC..THydrogen-bonded Turntrans-101.7-0.3175.7-57.7-176.5000114.1V84 L152 E154 A370 A371 Y372 R376V84-L374 HydrophobicContact CG1-CD1 3.88Å; L152-L374 HydrophobicContact CD2-CD1 4.1Å; L152-L374 HydrophobicContact CG-CD1 4.05Å; E154-L374 HydrophobicContact CB-CD1 4.13Å; E154-L374 HydrophobicContact CB-CD2 3.69Å; E154-L374 HydrophobicContact CG-CD2 3.8Å; A370-L374 WeakPolarHBondContact O-CG 3.33Å; A370-L374 PolarHBondContact O-N 3.36Å; A371-L374 PolarHBondContact O-N 3.15Å; Y372-L374 PolarHBondContact O-N 2.93Å; L374-R376 HydrophobicContact CB-CB 4.49Å; L374-R376 HydrophobicContact CB-CG 4Å; L374-R376 WeakPolarHBondContact O-CG 3.37Å
375G98.3Very high98.6Very high45 Ų4518 Ų1846%0.46411%0.107SC..THydrogen-bonded Turntrans69.732.7-175.800000112.9A371 Y372A371-G375 PolarHBondContact O-N 3.21Å; Y372-G375 PolarHBondContact O-N 3.24Å
376R98.4Very high98.6Very high31 Ų3123.1 Ų23.112%0.11713%0.134CC..  trans-125.73.6-171.5-59.1-61.1-72.9-81.9-10.3114.8L152 I184 A371 L374 D378 T379 H380L152-R376 HydrophobicContact CD2-CB 3.68Å; L152-R376 HydrophobicContact CD2-CG 3.98Å; I184-R376 PolarHBondContact O-NH1 2.82Å; A371-R376 CarbonylContact O-C 3.48Å; A371-R376 WeakPolarHBondContact O-CA 3.42Å; A371-R376 PolarHBondContact O-N 2.87Å; L374-R376 HydrophobicContact CB-CB 4.49Å; L374-R376 HydrophobicContact CB-CG 4Å; L374-R376 WeakPolarHBondContact O-CG 3.37Å; R376-D378 PolarHBondContact O-N 3.25Å; R376-D378 VanDerWaalsContact O-N 3.14Å; R376-T379 PolarHBondContact O-N 3.32Å; R376-T379 PolarHBondContact O-OG1 2.97Å; R376-T379 VanDerWaalsContact O-OG1 3.05Å; R376-H380 PolarHBondContact NH2-CE1 3.36Å; R376-H380 PolarHBondContact O-N 2.9Å
377S98.4Very high98.6Very high7 Ų723.5 Ų23.55%0.04914%0.136CC..THydrogen-bonded Turntrans-65.5-15-178.356.60000114.4K24 A371 T379 K387K24-S377 WeakPolarHBondContact O-CB 3.42Å; K24-S377 PolarHBondContact O-OG 3.1Å; A371-S377 PolarHBondContact O-N 3.39Å; S377-T379 PolarHBondContact O-N 3.42Å; S377-K387 VanDerWaalsContact O-CE 3.24Å; S377-K387 WeakPolarHBondContact O-CE 3.41Å; S377-K387 PolarHBondContact O-NZ 3.19Å
378D97.9Very high98.5Very high99 Ų9925.5 Ų25.553%0.52914%0.143SC..THydrogen-bonded Turntrans-63.4-24.6167.4-71.1-31.3000113.5K24 R376K24-D378 WeakPolarHBondContact CD-OD1 3.38Å; K24-D378 WeakPolarHBondContact CE-OD1 3.36Å; K24-D378 IonicContact NZ-OD1 3.92Å; K24-D378 PolarHBondContact NZ-OD1 3.31Å; R376-D378 PolarHBondContact O-N 3.25Å; R376-D378 VanDerWaalsContact O-N 3.14Å
379T98.3Very high98.5Very high47 Ų4725.5 Ų25.529%0.28814%0.143SC..THydrogen-bonded Turntrans-125.9-23.6-169.651.60000114.4R376 S377 R388R376-T379 PolarHBondContact O-N 3.32Å; R376-T379 PolarHBondContact O-OG1 2.97Å; R376-T379 VanDerWaalsContact O-OG1 3.05Å; S377-T379 PolarHBondContact O-N 3.42Å; T379-R388 WeakPolarHBondContact O-CB 3.28Å; T379-R388 PolarHBondContact O-N 2.98Å
380H98.8Very high98.5Very high6 Ų625.8 Ų25.83%0.02815%0.145CC..SBendtrans-130.6172.9-177.3-52.767.5000110.5V84 L152 S183 A371 R376 S382 R388 D390V84-H380 HydrophobicContact CG2-CB 4.49Å; L152-H380 HydrophobicContact CD2-CB 4.02Å; S183-H380 PolarHBondContact OG-NE2 3Å; A371-H380 HydrophobicContact CB-CB 4.25Å; R376-H380 PolarHBondContact NH2-CE1 3.36Å; R376-H380 PolarHBondContact O-N 2.9Å; H380-S382 VanDerWaalsContact C-N 3.35Å; H380-S382 PolarHBondContact O-N 3.38Å; H380-R388 VanDerWaalsContact CE1-CZ 3.47Å; H380-R388 PolarHBondContact CE1-NE 3.4Å; H380-R388 PolarHBondContact CE1-NH1 3.29Å; H380-R388 WeakPolarHBondContact NE2-CD 3.17Å; H380-R388 PolarHBondContact NE2-NH1 3.33Å; H380-D390 IonicContact CD2-OD2 2.75Å; H380-D390 PolarHBondContact CD2-OD2 2.86Å; H380-D390 IonicContact NE2-OD2 3.67Å
381G98.1Very high98.5Very high3 Ų325.8 Ų25.83%0.03115%0.145CC..SBendtrans86.9-5.9168.900000115.6T367 I368T367-G381 WeakPolarHBondContact CB-O 3.41Å; I368-G381 WeakPolarHBondContact CB-O 3.48Å; I368-G381 PolarHBondContact N-O 2.85Å
382S98.7Very high98.4Very high2 Ų225.8 Ų25.81%0.01415%0.145CC..SBendtrans-151.3159.217067.70000111.4L17 C19 H380 E384 K387L17-S382 VanDerWaalsContact O-CA 3.27Å; L17-S382 WeakPolarHBondContact O-CA 3.34Å; L17-S382 WeakPolarHBondContact O-CB 3.37Å; C19-S382 WeakPolarHBondContact SG-CB 3.47Å; C19-S382 PolarHBondContact SG-OG 3.04Å; H380-S382 VanDerWaalsContact C-N 3.35Å; H380-S382 PolarHBondContact O-N 3.38Å; S382-E384 PolarHBondContact O-N 3.34Å; S382-E384 PolarHBondContact OG-OE2 2.83Å; S382-K387 WeakPolarHBondContact OG-CD 3.31Å; S382-K387 WeakPolarHBondContact OG-CE 3.45Å; S382-K387 PolarHBondContact OG-NZ 2.96Å
383L98.8Very high98.4Very high0 Ų023.8 Ų23.80%014%0.137CC..  trans-95.778.2176.6-56.8-175.1000110.3V15 V16 L17 I42 I50 V79 P81 L391V15-L383 HydrophobicContact CG1-CD1 3.67Å; V16-L383 WeakPolarHBondContact O-CD1 3.24Å; L17-L383 HydrophobicContact CD2-CB 3.75Å; L17-L383 PolarHBondContact O-N 3.2Å; L17-L383 VanDerWaalsContact O-N 3.08Å; I42-L383 HydrophobicContact CD1-CB 4.3Å; I42-L383 HydrophobicContact CD1-CD1 4.16Å; I42-L383 HydrophobicContact CD1-CD2 4.33Å; I50-L383 HydrophobicContact CD1-CB 4.2Å; I50-L383 HydrophobicContact CD1-CD2 3.96Å; V79-L383 HydrophobicContact CG1-CD1 4.04Å; P81-L383 HydrophobicContact CB-CD2 3.93Å; P81-L383 HydrophobicContact CB-CG 4.23Å; P81-L383 HydrophobicContact CG-CD2 4.2Å; P81-L383 HydrophobicContact CG-CG 3.93Å; L383-L391 HydrophobicContact CD1-CD2 4.28Å; L383-L391 HydrophobicContact CD2-CD2 3.27Å; L383-L391 HydrophobicContact CG-CD2 4.4Å
384E98.3Very high98.4Very high20 Ų2023.8 Ų23.89%0.09314%0.137CC..  trans-117.9150.2179-66.1175151.900110.7C19 N20 N21 G22 I50 S382 N386 K387C19-E384 VanDerWaalsContact C-OE1 3.31Å; C19-E384 PolarHBondContact SG-OE1 3.47Å; N20-E384 WeakPolarHBondContact CA-OE1 3.5Å; N20-E384 PolarHBondContact N-OE1 3.42Å; N21-E384 PolarHBondContact N-OE1 3.45Å; G22-E384 PolarHBondContact N-OE1 3.42Å; I50-E384 WeakPolarHBondContact CB-O 3.26Å; S382-E384 PolarHBondContact O-N 3.34Å; S382-E384 PolarHBondContact OG-OE2 2.83Å; E384-N386 PolarHBondContact O-N 3.11Å; E384-K387 HydrophobicContact CB-CD 4.13Å; E384-K387 HydrophobicContact CB-CG 4.18Å; E384-K387 WeakPolarHBondContact O-CB 3.43Å; E384-K387 PolarHBondContact O-N 2.78Å; E384-K387 WeakPolarHBondContact OE2-CE 3.32Å; E384-K387 IonicContact OE2-NZ 3.44Å; E384-K387 PolarHBondContact OE2-NZ 3.23Å
385V98.3Very high98.2Very high75 Ų7528.3 Ų28.346%0.45516%0.161SC..THydrogen-bonded Turntrans-55136.3175.9176.30000109.8K387V385-K387 VanDerWaalsContact C-N 3.26Å; V385-K387 PolarHBondContact O-N 3.35Å
386N97.8Very high98.1Very high107 Ų10726.8 Ų26.857%0.57214%0.144SC*.THydrogen-bonded Turntrans72.5-4.6-174-52.4-47.4000116.6I50 E384I50-N386 PolarHBondContact O-N 2.85Å; E384-N386 PolarHBondContact O-N 3.11Å
387K98.6Very high97.9Very high7 Ų728.9 Ų28.93%0.0316%0.16CC..SBendtrans-76.2168.4163.7-66.7-163.7-179.71790110.9L49 I50 S377 S382 E384 V385L49-K387 CarbonylContact C-O 3.49Å; L49-K387 WeakPolarHBondContact CA-O 3.39Å; I50-K387 PolarHBondContact N-O 3.39Å; S377-K387 VanDerWaalsContact O-CE 3.24Å; S377-K387 WeakPolarHBondContact O-CE 3.41Å; S377-K387 PolarHBondContact O-NZ 3.19Å; S382-K387 WeakPolarHBondContact OG-CD 3.31Å; S382-K387 WeakPolarHBondContact OG-CE 3.45Å; S382-K387 PolarHBondContact OG-NZ 2.96Å; E384-K387 HydrophobicContact CB-CD 4.13Å; E384-K387 HydrophobicContact CB-CG 4.18Å; E384-K387 WeakPolarHBondContact O-CB 3.43Å; E384-K387 PolarHBondContact O-N 2.78Å; E384-K387 WeakPolarHBondContact OE2-CE 3.32Å; E384-K387 IonicContact OE2-NZ 3.44Å; E384-K387 PolarHBondContact OE2-NZ 3.23Å; V385-K387 VanDerWaalsContact C-N 3.26Å; V385-K387 PolarHBondContact O-N 3.35Å
388R98.3Very high97.8Very high43 Ų4334.7 Ų34.716%0.16218%0.181CC..BIsolated β-bridgetrans-66.5140.9179.3-67.8-172.4-179.4-175.21.1110.7L49 I50 S183 T379 H380 D390L49-R388 HydrophobicContact CD2-CG 4.37Å; I50-R388 WeakPolarHBondContact CD1-O 3.33Å; S183-R388 PolarHBondContact OG-NH1 2.83Å; T379-R388 WeakPolarHBondContact O-CB 3.28Å; T379-R388 PolarHBondContact O-N 2.98Å; H380-R388 VanDerWaalsContact CE1-CZ 3.47Å; H380-R388 PolarHBondContact CE1-NE 3.4Å; H380-R388 PolarHBondContact CE1-NH1 3.29Å; H380-R388 WeakPolarHBondContact NE2-CD 3.17Å; H380-R388 PolarHBondContact NE2-NH1 3.33Å; R388-D390 HydrophobicContact CB-CB 4.49Å; R388-D390 PolarHBondContact O-N 2.83Å
389G98.4Very high97.7Very high0 Ų030.6 Ų30.60%016%0.158CC..  trans-74.856.5170.500000111.9G48 R419 G420G48-G389 PolarHBondContact O-N 2.85Å; G389-R419 PolarHBondContact O-N 3.18Å; G389-R419 VanDerWaalsContact O-N 3.14Å; G389-G420 PolarHBondContact O-N 2.91Å
390D98.8Very high97.7Very high6 Ų630.2 Ų30.23%0.03215%0.153CC..  trans-98.2107176.4-67.75.1000107.3G82 T151 H380 R388 V417 R419G82-D390 PolarHBondContact N-O 3.34Å; T151-D390 HydrophobicContact CG2-CB 4.28Å; H380-D390 IonicContact CD2-OD2 2.75Å; H380-D390 PolarHBondContact CD2-OD2 2.86Å; H380-D390 IonicContact NE2-OD2 3.67Å; R388-D390 HydrophobicContact CB-CB 4.49Å; R388-D390 PolarHBondContact O-N 2.83Å; D390-V417 CarbonylContact C-O 3.24Å; D390-V417 VanDerWaalsContact CA-O 3.25Å; D390-V417 WeakPolarHBondContact CA-O 3.32Å; D390-R419 PolarHBondContact OD1-N 3.17Å
391L98.4Very high97.6Very high0 Ų033.3 Ų33.30%017%0.168CC..EExtended strand (participates in β ladder)trans-128.9148.4-166.5-41.2175.3000111L7 V9 I42 V44 V79 L80 L383 V417L7-L391 HydrophobicContact CD2-CD1 4.26Å; V9-L391 HydrophobicContact CG2-CD1 4.08Å; I42-L391 HydrophobicContact CD1-CD1 4.43Å; I42-L391 HydrophobicContact CD1-CD2 3.78Å; I42-L391 HydrophobicContact CG2-CD1 4.08Å; V44-L391 HydrophobicContact CG2-CD1 4.34Å; V79-L391 HydrophobicContact CG1-CB 4.3Å; V79-L391 HydrophobicContact CG1-CD1 4.49Å; L80-L391 CarbonylContact O-C 3.55Å; L80-L391 WeakPolarHBondContact O-CA 3.35Å; L383-L391 HydrophobicContact CD1-CD2 4.28Å; L383-L391 HydrophobicContact CD2-CD2 3.27Å; L383-L391 HydrophobicContact CG-CD2 4.4Å; L391-V417 HydrophobicContact CB-CB 4.01Å; L391-V417 HydrophobicContact CB-CG2 4.43Å; L391-V417 HydrophobicContact CG-CB 4.31Å; L391-V417 HydrophobicContact CG-CG1 4.48Å; L391-V417 PolarHBondContact N-O 2.86Å; L391-V417 PolarHBondContact O-N 2.83Å
392L98.2Very high97.6Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-109.4138.9158.7-59.1-173.6000109.7V79 L80 L83 G149 V416V79-L392 CarbonylContact C-O 3.54Å; V79-L392 VanDerWaalsContact CA-O 3.28Å; V79-L392 WeakPolarHBondContact CA-O 3.26Å; L80-L392 HydrophobicContact CB-CB 4.43Å; L80-L392 PolarHBondContact N-O 3.27Å; L80-L392 PolarHBondContact O-N 3.18Å; L83-L392 HydrophobicContact CD1-CD1 3.92Å; L83-L392 HydrophobicContact CD2-CD1 4.48Å; L83-L392 HydrophobicContact CG-CD1 3.66Å; G149-L392 VanDerWaalsContact CA-CD2 3.46Å; G149-L392 WeakPolarHBondContact O-CD2 3.38Å; L392-V416 HydrophobicContact CD2-CB 4.18Å; L392-V416 HydrophobicContact CD2-CG1 3.92Å; L392-V416 HydrophobicContact CD2-CG2 3.78Å
393I98.6Very high97.6Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-118.2119.4171.3-49.7179.7000107.1V9 I72 M77 C78 V79 R414 Y415V9-I393 HydrophobicContact CG1-CD1 3.84Å; V9-I393 HydrophobicContact CG2-CD1 3.91Å; I72-I393 HydrophobicContact CB-CD1 4.49Å; I72-I393 HydrophobicContact CD1-CD1 3.63Å; I72-I393 HydrophobicContact CG2-CD1 3.98Å; M77-I393 HydrophobicContact CB-CG2 4.13Å; M77-I393 HydrophobicContact SD-CG2 3.95Å; C78-I393 CarbonylContact O-C 3.59Å; C78-I393 VanDerWaalsContact O-CA 3.32Å; C78-I393 WeakPolarHBondContact O-CA 3.5Å; V79-I393 HydrophobicContact CG2-CG1 4.31Å; I393-R414 WeakPolarHBondContact O-CB 3.4Å; I393-R414 PolarHBondContact O-N 2.97Å; I393-Y415 HydrophobicContact CB-CD2 3.92Å; I393-Y415 HydrophobicContact CB-CG 4.48Å; I393-Y415 HydrophobicContact CD1-CD2 3.78Å; I393-Y415 HydrophobicContact CD1-CG 4.22Å; I393-Y415 HydrophobicContact CG1-CD2 4.34Å; I393-Y415 HydrophobicContact CG2-CD2 4.12Å; I393-Y415 PolarHBondContact N-O 3.47Å; I393-Y415 PolarHBondContact O-N 3.42Å
394L97.9Very high97.5Very high0 Ų041 Ų410%020%0.197CC..EExtended strand (participates in β ladder)trans-98.7135.7-179.8-51.7-176.7000109.9M77 C78 L80 A396 L402 L412 I413M77-L394 WeakPolarHBondContact CA-O 3.34Å; M77-L394 WeakPolarHBondContact CB-O 3.38Å; C78-L394 HydrophobicContact CB-CB 4.41Å; C78-L394 PolarHBondContact N-O 3.36Å; C78-L394 PolarHBondContact O-N 2.92Å; L80-L394 HydrophobicContact CD1-CD1 3.39Å; L80-L394 HydrophobicContact CD1-CD2 4.45Å; L80-L394 HydrophobicContact CD1-CG 3.58Å; L394-A396 PolarHBondContact O-N 3.5Å; L394-L402 HydrophobicContact CD1-CB 3.76Å; L394-L402 HydrophobicContact CD1-CD1 4.38Å; L394-L402 HydrophobicContact CD1-CD2 4.36Å; L394-L402 HydrophobicContact CD1-CG 4.39Å; L394-L402 HydrophobicContact CD2-CD1 3.96Å; L394-L412 CarbonylContact C-O 3.54Å; L394-L412 WeakPolarHBondContact CA-O 3.44Å; L394-I413 HydrophobicContact CD2-CB 4.45Å; L394-I413 HydrophobicContact CD2-CG1 3.76Å
395N95.7Very high97.2Very high96 Ų9642.9 Ų42.951%0.51321%0.206SC..SBendtrans-76.158.5169.8-167.728000111.1L412 R414N395-L412 PolarHBondContact N-O 3.33Å; N395-R414 HydrophobicContact CB-CB 4.28Å
396A95.8Very high96.9Very high14 Ų1445.1 Ų45.112%0.11621%0.214CC..SBendtrans-154.3151.1178.900000110.4G76 M77 C78 L394 R398 H401 L412G76-A396 CarbonylContact O-C 3.44Å; G76-A396 VanDerWaalsContact O-C 3.24Å; M77-A396 CarbonylContact C-O 3.39Å; M77-A396 VanDerWaalsContact C-O 3.25Å; M77-A396 VanDerWaalsContact CA-O 3.28Å; M77-A396 WeakPolarHBondContact CA-O 3.47Å; C78-A396 PolarHBondContact N-O 2.85Å; C78-A396 PolarHBondContact SG-O 3.4Å; L394-A396 PolarHBondContact O-N 3.5Å; A396-R398 PolarHBondContact O-N 3.16Å; A396-H401 HydrophobicContact CB-CB 4Å; A396-L412 HydrophobicContact CB-CD1 3.75Å
397T93.7Very high96.5Very high74 Ų7441.5 Ų41.545%0.45420%0.202SC..SBendtrans-78-10.4179.853.90000113.6Q13 G76 C78Q13-T397 WeakPolarHBondContact CG-O 3.34Å; G76-T397 WeakPolarHBondContact O-CA 3.39Å; G76-T397 WeakPolarHBondContact O-CG2 3.43Å; G76-T397 PolarHBondContact O-N 3.35Å; C78-T397 PolarHBondContact SG-O 3.13Å; C78-T397 VanDerWaalsContact SG-O 3.35Å
398R95.8Very high95.9Very high129 Ų12942.3 Ų42.349%0.48721%0.212SC..SBendtrans-136.9133-176.6-78.4-177.367.4-172.55.4111.3C78 A396 E400 H401C78-R398 WeakPolarHBondContact SG-CA 3.39Å; C78-R398 PolarHBondContact SG-N 3.04Å; A396-R398 PolarHBondContact O-N 3.16Å; R398-E400 WeakPolarHBondContact CB-OE2 3.31Å; R398-E400 IonicContact CZ-OE1 2.65Å; R398-E400 IonicContact NE-OE1 3.37Å; R398-E400 PolarHBondContact NE-OE1 3.13Å; R398-E400 IonicContact NE-OE2 2.88Å; R398-E400 PolarHBondContact NE-OE2 3.29Å; R398-E400 IonicContact NH2-OE1 3.9Å; R398-E400 PolarHBondContact NH2-OE1 3.23Å; R398-E400 IonicContact NH2-OE2 3.61Å; R398-E400 PolarHBondContact O-N 2.88Å; R398-H401 PolarHBondContact O-CD2 3.1Å; R398-H401 PolarHBondContact O-N 3.42Å
399W97.6Very high95.6Very high13 Ų1340.5 Ų40.55%0.04921%0.206CC..THydrogen-bonded Turntrans-66.5-26-177.769.3-95.9000112.9V16 L34 C78 L80 M359 T360 L363 H401 L402 I403V16-W399 HydrophobicContact CG2-CB 3.66Å; V16-W399 HydrophobicContact CG2-CG 3.63Å; L34-W399 HydrophobicContact CD1-CH2 4.43Å; L34-W399 HydrophobicContact CD1-CZ2 4.43Å; C78-W399 HydrophobicContact CB-CB 4.48Å; C78-W399 PolarHBondContact SG-N 2.87Å; L80-W399 HydrophobicContact CD1-CB 4.12Å; L80-W399 HydrophobicContact CD2-CB 4.05Å; L80-W399 HydrophobicContact CG-CB 4.23Å; M359-W399 HydrophobicContact CB-CH2 3.84Å; M359-W399 HydrophobicContact CB-CZ3 4.12Å; T360-W399 HydrophobicContact CG2-CH2 4.03Å; T360-W399 HydrophobicContact CG2-CZ2 3.97Å; L363-W399 HydrophobicContact CB-CH2 4.42Å; L363-W399 HydrophobicContact CB-CZ3 3.92Å; L363-W399 HydrophobicContact CD2-CD2 4Å; L363-W399 HydrophobicContact CD2-CE3 3.49Å; L363-W399 VanDerWaalsContact CD2-CE3 3.49Å; L363-W399 HydrophobicContact CD2-CH2 4.19Å; L363-W399 HydrophobicContact CD2-CZ3 3.59Å; L363-W399 HydrophobicContact CG-CZ3 4.33Å; W399-H401 PolarHBondContact O-N 3.46Å; W399-H401 VanDerWaalsContact O-N 3.13Å; W399-L402 WeakPolarHBondContact O-CB 3.22Å; W399-L402 PolarHBondContact O-N 2.96Å; W399-I403 HydrophobicContact CZ3-CD1 3.88Å
400E97.9Very high94.9Very high39 Ų3945 Ų4518%0.18223%0.227CC..THydrogen-bonded Turntrans-61.5-22.8-178.1-61.497.4130.900112.9M359 R398 L402 I403 Y404M359-E400 HydrophobicContact SD-CB 3.83Å; M359-E400 HydrophobicContact SD-CG 4.1Å; R398-E400 WeakPolarHBondContact CB-OE2 3.31Å; R398-E400 IonicContact CZ-OE1 2.65Å; R398-E400 IonicContact NE-OE1 3.37Å; R398-E400 PolarHBondContact NE-OE1 3.13Å; R398-E400 IonicContact NE-OE2 2.88Å; R398-E400 PolarHBondContact NE-OE2 3.29Å; R398-E400 IonicContact NH2-OE1 3.9Å; R398-E400 PolarHBondContact NH2-OE1 3.23Å; R398-E400 IonicContact NH2-OE2 3.61Å; R398-E400 PolarHBondContact O-N 2.88Å; E400-L402 PolarHBondContact O-N 2.99Å; E400-L402 VanDerWaalsContact O-N 3.14Å; E400-I403 PolarHBondContact O-N 3.18Å; E400-Y404 WeakPolarHBondContact O-CB 3.32Å; E400-Y404 PolarHBondContact O-N 3.05Å
401H96.9Very high94.2Very high72 Ų7249.8 Ų49.833%0.33325%0.249SC..Hα-helixtrans-56.2-28.4172.9-78-87.8000112.5A396 R398 W399 I403 Q405 L412A396-H401 HydrophobicContact CB-CB 4Å; R398-H401 PolarHBondContact O-CD2 3.1Å; R398-H401 PolarHBondContact O-N 3.42Å; W399-H401 PolarHBondContact O-N 3.46Å; W399-H401 VanDerWaalsContact O-N 3.13Å; H401-I403 PolarHBondContact O-N 2.96Å; H401-Q405 WeakPolarHBondContact O-CB 3.5Å; H401-Q405 PolarHBondContact O-N 2.97Å; H401-L412 HydrophobicContact CB-CD1 4.17Å; H401-L412 HydrophobicContact CB-CD2 4.07Å; H401-L412 WeakPolarHBondContact O-CD2 3.41Å
402L97.8Very high94Very high0 Ų050.4 Ų50.40%025%0.252CS..Hα-helixtrans-61.5-29.6176.3-170.759000113.2L80 L83 P345 M348 L394 W399 E400 H409 I413L80-L402 HydrophobicContact CD2-CD2 3.85Å; L83-L402 HydrophobicContact CD1-CD2 4.48Å; L83-L402 HydrophobicContact CD2-CD2 4.46Å; P345-L402 HydrophobicContact CB-CD1 4.08Å; P345-L402 HydrophobicContact CB-CG 4.45Å; P345-L402 HydrophobicContact CG-CD1 3.73Å; P345-L402 HydrophobicContact CG-CG 4.35Å; M348-L402 HydrophobicContact CE-CD2 3.94Å; M348-L402 HydrophobicContact CE-CG 4.02Å; L394-L402 HydrophobicContact CD1-CB 3.76Å; L394-L402 HydrophobicContact CD1-CD1 4.38Å; L394-L402 HydrophobicContact CD1-CD2 4.36Å; L394-L402 HydrophobicContact CD1-CG 4.39Å; L394-L402 HydrophobicContact CD2-CD1 3.96Å; W399-L402 WeakPolarHBondContact O-CB 3.22Å; W399-L402 PolarHBondContact O-N 2.96Å; E400-L402 PolarHBondContact O-N 2.99Å; E400-L402 VanDerWaalsContact O-N 3.14Å; L402-H409 PolarHBondContact O-NE2 3.17Å; L402-I413 HydrophobicContact CD1-CD1 4.32Å; L402-I413 HydrophobicContact CD1-CG1 4.29Å
403I98.1Very high93.9Very high1 Ų150.4 Ų50.41%0.00525%0.252CS..Hα-helixtrans-105.2-37-177.2-56.4-178.1000110.5M348 H349 M359 A362 L363 W399 E400 H401 Q405M348-I403 HydrophobicContact CB-CD1 4.16Å; M348-I403 HydrophobicContact CB-CG1 4.01Å; M348-I403 HydrophobicContact CB-CG2 4.18Å; M348-I403 HydrophobicContact CE-CD1 4.48Å; M348-I403 HydrophobicContact CE-CG1 4.01Å; M348-I403 HydrophobicContact SD-CD1 3.8Å; M348-I403 HydrophobicContact SD-CG1 3.98Å; H349-I403 PolarHBondContact ND1-O 2.89Å; M359-I403 HydrophobicContact CB-CD1 4.03Å; M359-I403 HydrophobicContact CG-CB 4.26Å; M359-I403 HydrophobicContact CG-CD1 4.41Å; M359-I403 HydrophobicContact CG-CG2 4.03Å; M359-I403 VanDerWaalsContact O-CD1 3.29Å; M359-I403 WeakPolarHBondContact O-CD1 3.28Å; A362-I403 HydrophobicContact CB-CD1 4.16Å; L363-I403 HydrophobicContact CB-CD1 4.21Å; W399-I403 HydrophobicContact CZ3-CD1 3.88Å; E400-I403 PolarHBondContact O-N 3.18Å; H401-I403 PolarHBondContact O-N 2.96Å; I403-Q405 VanDerWaalsContact C-N 3.32Å; I403-Q405 PolarHBondContact O-N 3.25Å
404Y96Very high93.8Very high165 Ų16550.9 Ų50.965%0.64725%0.254SS*.Hα-helixtrans-60-40.9-179.9172.2-103.1000112.5E400 L406E400-Y404 WeakPolarHBondContact O-CB 3.32Å; E400-Y404 PolarHBondContact O-N 3.05Å; Y404-L406 PolarHBondContact O-N 3.46Å
405Q92.6Very high93.8Very high60 Ų6052.4 Ų52.428%0.2826%0.26SS..SBendtrans-72.9124.6-174.5-159.8176.6-56.600111.5H401 I403 G407 G408 H409H401-Q405 WeakPolarHBondContact O-CB 3.5Å; H401-Q405 PolarHBondContact O-N 2.97Å; I403-Q405 VanDerWaalsContact C-N 3.32Å; I403-Q405 PolarHBondContact O-N 3.25Å; Q405-G407 VanDerWaalsContact CG-O 3.27Å; Q405-G407 WeakPolarHBondContact CG-O 3.41Å; Q405-G407 PolarHBondContact NE2-O 3.28Å; Q405-G407 PolarHBondContact O-N 3.23Å; Q405-G408 PolarHBondContact NE2-O 3.15Å; Q405-H409 PolarHBondContact O-CE1 3.2Å; Q405-H409 PolarHBondContact O-NE2 3.45Å
406L92.5Very high93.9Very high122 Ų12247.9 Ų47.964%0.63924%0.236SC*.SBendtrans-88.889.8173.7-17861.5000109.8L346 Y404L346-L406 HydrophobicContact CD1-CD1 3.64Å; Y404-L406 PolarHBondContact O-N 3.46Å
407G89.1Confident94.1Very high31 Ų3147.2 Ų47.232%0.3223%0.23SC..SBendtrans87.6174.9-179.600000113.7Q405 H409Q405-G407 VanDerWaalsContact CG-O 3.27Å; Q405-G407 WeakPolarHBondContact CG-O 3.41Å; Q405-G407 PolarHBondContact NE2-O 3.28Å; Q405-G407 PolarHBondContact O-N 3.23Å; G407-H409 VanDerWaalsContact C-N 3.3Å; G407-H409 PolarHBondContact O-N 3.06Å
408G86.9Confident94.3Very high23 Ų2343.9 Ų43.924%0.23721%0.209CC..  trans74.612.9-179.100000115.2Q405 Q410 E411Q405-G408 PolarHBondContact NE2-O 3.15Å; G408-Q410 VanDerWaalsContact C-OE1 3.27Å; G408-Q410 PolarHBondContact O-N 2.92Å; G408-Q410 VanDerWaalsContact O-N 3.11Å; G408-E411 WeakPolarHBondContact O-CB 3.31Å; G408-E411 PolarHBondContact O-N 3.04Å
409H91.4Very high94.4Very high6 Ų642.9 Ų42.93%0.02821%0.206CC..Hα-helixtrans-60.6-23.2-176.9-61.797.9000114.1P345 L402 Q405 G407 E411 L412 I413P345-H409 HydrophobicContact CB-CB 4.36Å; P345-H409 WeakPolarHBondContact CB-CD2 3.49Å; P345-H409 VanDerWaalsContact CB-NE2 3.34Å; P345-H409 WeakPolarHBondContact CB-NE2 3.38Å; P345-H409 HydrophobicContact CG-CB 4.39Å; L402-H409 PolarHBondContact O-NE2 3.17Å; Q405-H409 PolarHBondContact O-CE1 3.2Å; Q405-H409 PolarHBondContact O-NE2 3.45Å; G407-H409 VanDerWaalsContact C-N 3.3Å; G407-H409 PolarHBondContact O-N 3.06Å; H409-E411 PolarHBondContact O-N 3.49Å; H409-L412 PolarHBondContact O-N 2.89Å; H409-I413 HydrophobicContact CB-CD1 4.38Å; H409-I413 WeakPolarHBondContact O-CB 3.25Å; H409-I413 WeakPolarHBondContact O-CG1 3.46Å; H409-I413 PolarHBondContact O-N 3.45Å
410Q82.8Confident94.4Very high93 Ų9342.2 Ų42.244%0.43520%0.203SC..Hα-helixtrans-61.5-25.1173.670-76.5-300112.8G408 Y424 N426G408-Q410 VanDerWaalsContact C-OE1 3.27Å; G408-Q410 PolarHBondContact O-N 2.92Å; G408-Q410 VanDerWaalsContact O-N 3.11Å; Q410-Y424 PolarHBondContact O-OH 3.23Å; Q410-N426 PolarHBondContact O-ND2 2.73Å; Q410-N426 PolarHBondContact O-OD1 3.01Å
411E84.5Confident94.4Very high108 Ų10843.9 Ų43.951%0.50521%0.213SC..Hα-helixtrans-84.4-33.7175.3-66.6166.4-150.300111.9G408 H409 N426G408-E411 WeakPolarHBondContact O-CB 3.31Å; G408-E411 PolarHBondContact O-N 3.04Å; H409-E411 PolarHBondContact O-N 3.49Å; E411-N426 WeakPolarHBondContact CA-ND2 3.41Å; E411-N426 PolarHBondContact O-ND2 3.3Å
412L94Very high94.5Very high12 Ų1243.3 Ų43.36%0.06321%0.212CC..Hα-helixtrans-76.5-40.8179.8-179.864.2000112.5L394 N395 A396 H401 H409 R414L394-L412 CarbonylContact C-O 3.54Å; L394-L412 WeakPolarHBondContact CA-O 3.44Å; N395-L412 PolarHBondContact N-O 3.33Å; A396-L412 HydrophobicContact CB-CD1 3.75Å; H401-L412 HydrophobicContact CB-CD1 4.17Å; H401-L412 HydrophobicContact CB-CD2 4.07Å; H401-L412 WeakPolarHBondContact O-CD2 3.41Å; H409-L412 PolarHBondContact O-N 2.89Å; L412-R414 PolarHBondContact O-N 3.23Å
413I96.8Very high94.4Very high0 Ų045.2 Ų45.20%022%0.224CC..EExtended strand (participates in β ladder)trans-78.6102.1179.2-61.5170.3000108.1A148 P345 L394 L402 H409 V416 Y424 N426A148-I413 VanDerWaalsContact C-CD1 3.5Å; A148-I413 WeakPolarHBondContact O-CD1 3.4Å; P345-I413 HydrophobicContact CG-CD1 4.5Å; L394-I413 HydrophobicContact CD2-CB 4.45Å; L394-I413 HydrophobicContact CD2-CG1 3.76Å; L402-I413 HydrophobicContact CD1-CD1 4.32Å; L402-I413 HydrophobicContact CD1-CG1 4.29Å; H409-I413 HydrophobicContact CB-CD1 4.38Å; H409-I413 WeakPolarHBondContact O-CB 3.25Å; H409-I413 WeakPolarHBondContact O-CG1 3.46Å; H409-I413 PolarHBondContact O-N 3.45Å; I413-V416 HydrophobicContact CG2-CG2 3.7Å; I413-Y424 WeakPolarHBondContact O-CE1 3.33Å; I413-N426 WeakPolarHBondContact O-CB 3.21Å
414R96.4Very high94.3Very high11 Ų1146.8 Ų46.84%0.04223%0.23CC..EExtended strand (participates in β ladder)trans-69.6-52.4178.5-179.688-166.28223.2111M77 I393 N395 L412 D425 N426 D427M77-R414 HydrophobicContact SD-CG 4.27Å; I393-R414 WeakPolarHBondContact O-CB 3.4Å; I393-R414 PolarHBondContact O-N 2.97Å; N395-R414 HydrophobicContact CB-CB 4.28Å; L412-R414 PolarHBondContact O-N 3.23Å; R414-D425 IonicContact CZ-OD1 2.79Å; R414-D425 IonicContact NH1-OD1 3.73Å; R414-D425 PolarHBondContact NH1-OD1 3.22Å; R414-D425 IonicContact NH2-OD1 3.6Å; R414-D425 PolarHBondContact NH2-OD1 3.42Å; R414-D425 IonicContact NH2-OD2 2.76Å; R414-D425 WeakPolarHBondContact O-CA 3.47Å; R414-N426 PolarHBondContact O-N 3.11Å; R414-D427 VanDerWaalsContact CZ-CB 3.43Å; R414-D427 IonicContact CZ-OD1 3.34Å; R414-D427 IonicContact CZ-OD2 2.66Å; R414-D427 IonicContact NE-OD1 3.17Å; R414-D427 PolarHBondContact NE-OD1 3.17Å; R414-D427 IonicContact NE-OD2 3.96Å; R414-D427 IonicContact NH1-OD1 3.25Å; R414-D427 PolarHBondContact NH1-OD1 2.66Å; R414-D427 IonicContact NH1-OD2 2.72Å; R414-D427 IonicContact NH2-OD1 2.82Å; R414-D427 PolarHBondContact NH2-OD1 2.89Å; R414-D427 IonicContact NH2-OD2 3.14Å; R414-D427 PolarHBondContact NH2-OD2 2.79Å
415Y97.9Very high94.2Very high32 Ų3241.4 Ų41.413%0.12521%0.212CC..EExtended strand (participates in β ladder)trans-132.6144.2-178.4-57.4-80.1000111.9I72 I393 I422 Y424 D425I72-Y415 HydrophobicContact CD1-CD1 4.4Å; I72-Y415 HydrophobicContact CD1-CD2 4.12Å; I72-Y415 HydrophobicContact CD1-CE2 4.27Å; I72-Y415 HydrophobicContact CD1-CG 4.18Å; I72-Y415 HydrophobicContact CG2-CD2 4.1Å; I72-Y415 HydrophobicContact CG2-CE2 3.64Å; I393-Y415 HydrophobicContact CB-CD2 3.92Å; I393-Y415 HydrophobicContact CB-CG 4.48Å; I393-Y415 HydrophobicContact CD1-CD2 3.78Å; I393-Y415 HydrophobicContact CD1-CG 4.22Å; I393-Y415 HydrophobicContact CG1-CD2 4.34Å; I393-Y415 HydrophobicContact CG2-CD2 4.12Å; I393-Y415 PolarHBondContact N-O 3.47Å; I393-Y415 PolarHBondContact O-N 3.42Å; Y415-I422 HydrophobicContact CD1-CG2 3.85Å; Y415-I422 HydrophobicContact CE1-CG2 4.5Å; Y415-Y424 WeakPolarHBondContact CA-O 3.46Å; Y415-D425 HydrophobicContact CD1-CB 3.84Å; Y415-D425 HydrophobicContact CE1-CB 3.85Å; Y415-D425 WeakPolarHBondContact CE1-OD2 3.48Å
416V98.3Very high94Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-117.5126.5162.5-177.10000107.2Q146 T151 L392 I413 V423 Y424Q146-V416 HydrophobicContact CG-CG1 4.01Å; Q146-V416 WeakPolarHBondContact O-CG2 3.41Å; T151-V416 HydrophobicContact CG2-CG1 3.95Å; L392-V416 HydrophobicContact CD2-CB 4.18Å; L392-V416 HydrophobicContact CD2-CG1 3.92Å; L392-V416 HydrophobicContact CD2-CG2 3.78Å; I413-V416 HydrophobicContact CG2-CG2 3.7Å; V416-V423 HydrophobicContact CB-CG2 4.12Å; V416-V423 HydrophobicContact CG1-CG2 3.88Å; V416-V423 WeakPolarHBondContact O-CG2 3.37Å; V416-V423 PolarHBondContact O-N 2.61Å; V416-Y424 HydrophobicContact CG2-CD1 3.88Å; V416-Y424 HydrophobicContact CG2-CG 4.4Å; V416-Y424 PolarHBondContact N-O 3.14Å; V416-Y424 PolarHBondContact O-N 2.93Å
417V98.7Very high93.1Very high0 Ų038.6 Ų38.60%020%0.2CC..EExtended strand (participates in β ladder)trans-118.4132.7-177-178.50000108.6L7 D390 L391 G420 N421 I422L7-V417 HydrophobicContact CD2-CG1 3.67Å; L7-V417 HydrophobicContact CD2-CG2 4.13Å; D390-V417 CarbonylContact C-O 3.24Å; D390-V417 VanDerWaalsContact CA-O 3.25Å; D390-V417 WeakPolarHBondContact CA-O 3.32Å; L391-V417 HydrophobicContact CB-CB 4.01Å; L391-V417 HydrophobicContact CB-CG2 4.43Å; L391-V417 HydrophobicContact CG-CB 4.31Å; L391-V417 HydrophobicContact CG-CG1 4.48Å; L391-V417 PolarHBondContact N-O 2.86Å; L391-V417 PolarHBondContact O-N 2.83Å; V417-G420 VanDerWaalsContact CG1-C 3.43Å; V417-G420 VanDerWaalsContact CG1-CA 3.41Å; V417-N421 CarbonylContact C-O 3.53Å; V417-N421 VanDerWaalsContact CA-O 3.25Å; V417-N421 WeakPolarHBondContact CA-O 3.48Å; V417-I422 HydrophobicContact CG2-CG1 4.42Å
418I98.5Very high91.3Very high4 Ų445.9 Ų45.92%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-125.5120.8172.8-61178.2000109.1Q146 T151 P181 G420 N421 V423Q146-I418 HydrophobicContact CG-CD1 4.44Å; T151-I418 HydrophobicContact CG2-CD1 4.31Å; T151-I418 HydrophobicContact CG2-CG1 3.84Å; P181-I418 HydrophobicContact CB-CD1 4.35Å; P181-I418 WeakPolarHBondContact O-CG2 3.12Å; I418-G420 PolarHBondContact O-N 2.85Å; I418-N421 PolarHBondContact N-O 3.45Å; I418-N421 WeakPolarHBondContact O-CB 3.39Å; I418-N421 PolarHBondContact O-N 2.91Å; I418-N421 PolarHBondContact O-ND2 3.3Å; I418-V423 HydrophobicContact CB-CG1 4.19Å; I418-V423 HydrophobicContact CB-CG2 4.36Å; I418-V423 HydrophobicContact CD1-CG2 3.89Å; I418-V423 HydrophobicContact CG1-CG1 4.45Å; I418-V423 HydrophobicContact CG1-CG2 3.79Å
419R97.9Very high89.4Confident108 Ų10849.2 Ų49.241%0.40824%0.239SC..THydrogen-bonded Turntrans49.841.3-175-60.6-170.2-171.2-169.813.1112.6R6 G48 G389 D390 N421R6-R419 WeakPolarHBondContact CD-O 3.48Å; R6-R419 PolarHBondContact NH1-O 3.15Å; G48-R419 VanDerWaalsContact CA-O 3.3Å; G48-R419 WeakPolarHBondContact CA-O 3.44Å; G389-R419 PolarHBondContact O-N 3.18Å; G389-R419 VanDerWaalsContact O-N 3.14Å; D390-R419 PolarHBondContact OD1-N 3.17Å; R419-N421 VanDerWaalsContact C-N 3.26Å; R419-N421 PolarHBondContact O-N 2.82Å; R419-N421 PolarHBondContact O-ND2 2.75Å
420G97.9Very high86.9Confident0 Ų053.3 Ų53.30%026%0.26CS..THydrogen-bonded Turntrans77.3-3.4-177.700000115.7R6 G389 V417 I418R6-G420 VanDerWaalsContact CD-C 3.48Å; R6-G420 WeakPolarHBondContact CG-O 3.35Å; G389-G420 PolarHBondContact O-N 2.91Å; V417-G420 VanDerWaalsContact CG1-C 3.43Å; V417-G420 VanDerWaalsContact CG1-CA 3.41Å; I418-G420 PolarHBondContact O-N 2.85Å
421N98Very high84.4Confident74 Ų7457.1 Ų57.140%0.39628%0.283SS..EExtended strand (participates in β ladder)trans-90.4131175.2-54.2-73.8000109.7R6 V417 I418 R419 V423R6-N421 WeakPolarHBondContact CD-OD1 3.3Å; R6-N421 PolarHBondContact NH1-ND2 2.97Å; V417-N421 CarbonylContact C-O 3.53Å; V417-N421 VanDerWaalsContact CA-O 3.25Å; V417-N421 WeakPolarHBondContact CA-O 3.48Å; I418-N421 PolarHBondContact N-O 3.45Å; I418-N421 WeakPolarHBondContact O-CB 3.39Å; I418-N421 PolarHBondContact O-N 2.91Å; I418-N421 PolarHBondContact O-ND2 3.3Å; R419-N421 VanDerWaalsContact C-N 3.26Å; R419-N421 PolarHBondContact O-N 2.82Å; R419-N421 PolarHBondContact O-ND2 2.75Å; N421-V423 PolarHBondContact O-N 3.31Å
422I97.7Very high82Confident59 Ų5962.5 Ų62.530%0.30332%0.315SS..EExtended strand (participates in β ladder)trans-72.1110.5173-56.6168.9000107.6I72 Y415 V417 Y424 D425I72-I422 HydrophobicContact CD1-CD1 3.86Å; I72-I422 HydrophobicContact CD1-CG1 4.17Å; I72-I422 HydrophobicContact CG1-CD1 4.28Å; Y415-I422 HydrophobicContact CD1-CG2 3.85Å; Y415-I422 HydrophobicContact CE1-CG2 4.5Å; V417-I422 HydrophobicContact CG2-CG1 4.42Å; I422-Y424 WeakPolarHBondContact CG2-O 3.39Å; I422-D425 HydrophobicContact CG2-CB 4.25Å
423V96.3Very high81.4Confident40 Ų4065.1 Ų65.124%0.24233%0.327CS..EExtended strand (participates in β ladder)trans-103.9-12.5-178.5-640000112.5Q146 P181 V416 I418 N421Q146-V423 VanDerWaalsContact CD-CG2 3.46Å; Q146-V423 HydrophobicContact CG-CG2 4.01Å; Q146-V423 VanDerWaalsContact NE2-CB 3.27Å; Q146-V423 PolarHBondContact NE2-O 3.13Å; P181-V423 HydrophobicContact CB-CG1 3.97Å; P181-V423 HydrophobicContact CG-CG1 3.94Å; V416-V423 HydrophobicContact CB-CG2 4.12Å; V416-V423 HydrophobicContact CG1-CG2 3.88Å; V416-V423 WeakPolarHBondContact O-CG2 3.37Å; V416-V423 PolarHBondContact O-N 2.61Å; I418-V423 HydrophobicContact CB-CG1 4.19Å; I418-V423 HydrophobicContact CB-CG2 4.36Å; I418-V423 HydrophobicContact CD1-CG2 3.89Å; I418-V423 HydrophobicContact CG1-CG1 4.45Å; I418-V423 HydrophobicContact CG1-CG2 3.79Å; N421-V423 PolarHBondContact O-N 3.31Å
424Y95.3Very high80.6Confident34 Ų3468.5 Ų68.513%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-148.1139.2169.6176.7-115.3000109.7R147 Q410 I413 Y415 V416 I422 N426R147-Y424 HydrophobicContact CB-CE2 4.43Å; R147-Y424 HydrophobicContact CG-CD1 4.49Å; R147-Y424 HydrophobicContact CG-CD2 3.61Å; R147-Y424 HydrophobicContact CG-CE2 3.62Å; R147-Y424 HydrophobicContact CG-CG 4.05Å; Q410-Y424 PolarHBondContact O-OH 3.23Å; I413-Y424 WeakPolarHBondContact O-CE1 3.33Å; Y415-Y424 WeakPolarHBondContact CA-O 3.46Å; V416-Y424 HydrophobicContact CG2-CD1 3.88Å; V416-Y424 HydrophobicContact CG2-CG 4.4Å; V416-Y424 PolarHBondContact N-O 3.14Å; V416-Y424 PolarHBondContact O-N 2.93Å; I422-Y424 WeakPolarHBondContact CG2-O 3.39Å; Y424-N426 HydrophobicContact CE1-CB 3.83Å; Y424-N426 PolarHBondContact OH-OD1 3.34Å
425D94.2Very high79.7Confident52 Ų5271.7 Ų71.728%0.27836%0.361SS..EExtended strand (participates in β ladder)trans-140.4119.7173.4175.3-10.6000107.7R414 Y415 I422 D427R414-D425 IonicContact CZ-OD1 2.79Å; R414-D425 IonicContact NH1-OD1 3.73Å; R414-D425 PolarHBondContact NH1-OD1 3.22Å; R414-D425 IonicContact NH2-OD1 3.6Å; R414-D425 PolarHBondContact NH2-OD1 3.42Å; R414-D425 IonicContact NH2-OD2 2.76Å; R414-D425 WeakPolarHBondContact O-CA 3.47Å; Y415-D425 HydrophobicContact CD1-CB 3.84Å; Y415-D425 HydrophobicContact CE1-CB 3.85Å; Y415-D425 WeakPolarHBondContact CE1-OD2 3.48Å; I422-D425 HydrophobicContact CG2-CB 4.25Å; D425-D427 PolarHBondContact OD1-N 3.25Å
426N88.1Confident78.6Confident9 Ų974 Ų745%0.04838%0.375CS..G310 helixtrans-86.35.8-174.9-171.247.6000114.9Q410 E411 I413 R414 Y424 K428 T429Q410-N426 PolarHBondContact O-ND2 2.73Å; Q410-N426 PolarHBondContact O-OD1 3.01Å; E411-N426 WeakPolarHBondContact CA-ND2 3.41Å; E411-N426 PolarHBondContact O-ND2 3.3Å; I413-N426 WeakPolarHBondContact O-CB 3.21Å; R414-N426 PolarHBondContact O-N 3.11Å; Y424-N426 HydrophobicContact CE1-CB 3.83Å; Y424-N426 PolarHBondContact OH-OD1 3.34Å; N426-K428 PolarHBondContact O-N 3.14Å; N426-K428 VanDerWaalsContact O-N 3.1Å; N426-T429 PolarHBondContact O-N 3.34Å; N426-T429 PolarHBondContact O-OG1 3.1Å; N426-T429 WeakPolarHBondContact OD1-CB 3.3Å; N426-T429 PolarHBondContact OD1-OG1 2.82Å
427D75.4Confident77.4Confident115 Ų11578.6 Ų78.662%0.61540%0.399SS*.G310 helixtrans-74.8-7-176.5-104.99.1000110.8R414 D425R414-D427 VanDerWaalsContact CZ-CB 3.43Å; R414-D427 IonicContact CZ-OD1 3.34Å; R414-D427 IonicContact CZ-OD2 2.66Å; R414-D427 IonicContact NE-OD1 3.17Å; R414-D427 PolarHBondContact NE-OD1 3.17Å; R414-D427 IonicContact NE-OD2 3.96Å; R414-D427 IonicContact NH1-OD1 3.25Å; R414-D427 PolarHBondContact NH1-OD1 2.66Å; R414-D427 IonicContact NH1-OD2 2.72Å; R414-D427 IonicContact NH2-OD1 2.82Å; R414-D427 PolarHBondContact NH2-OD1 2.89Å; R414-D427 IonicContact NH2-OD2 3.14Å; R414-D427 PolarHBondContact NH2-OD2 2.79Å; D425-D427 PolarHBondContact OD1-N 3.25Å
428K51.4Low76Confident184 Ų18483.9 Ų83.980%0.843%0.425SS*.G310 helixtrans-94.17.8-178.8-61.3-173.8178.6-179.10113.3N426N426-K428 PolarHBondContact O-N 3.14Å; N426-K428 VanDerWaalsContact O-N 3.1Å
429T46.6Very low74.4Confident93 Ų9389.6 Ų89.657%0.57145%0.454SS*.SBendtrans-123.55.4-172.51.80000113.9N426N426-T429 PolarHBondContact O-N 3.34Å; N426-T429 PolarHBondContact O-OG1 3.1Å; N426-T429 WeakPolarHBondContact OD1-CB 3.3Å; N426-T429 PolarHBondContact OD1-OG1 2.82Å
430L37.4Very low72.6Confident91 Ų9188.2 Ų88.248%0.47646%0.458SS..  trans-129.859.8173.5-73.1167000110.9L432L430-L432 HydrophobicContact CD2-CD1 3.66Å; L430-L432 HydrophobicContact CD2-CG 3.83Å
431D30.8Very low70.5Confident173 Ų17395.5 Ų95.593%0.92550%0.496SS*.  trans-88.191.8138.1-79.5-30.7000105.3
432L34.7Very low68Low222 Ų22297.5 Ų97.5100%1.16251%0.505SS*.  trans-84.80167.6-84.1172.4000110.2L430L430-L432 HydrophobicContact CD2-CD1 3.66Å; L430-L432 HydrophobicContact CD2-CG 3.83Å

Retrieved 432 of 432 residues in 747.1 ms (Link to these results)

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