A0A3Q0KU66_SCHMA Loading...

Putative vacuolar membrane protein pep11

AlphaFold DB , UniProt , Accession A0A3Q0KU66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,196 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
1M31.3Very low66.7Low220 Ų22097.3 Ų97.3100%1.08447%0.47SS*.  086.80-69.7175.8179.300108.6Y3M1-Y3 PolarHBondContact O-N 3.5Å
2A42Very low68.1Low100 Ų10099.4 Ų99.483%0.82647%0.47SS*.  trans-73.1107.2164.700000105.6S4A2-S4 VanDerWaalsContact C-N 3.32Å; A2-S4 PolarHBondContact O-N 3.07Å
3Y48.2Very low69.3Low208 Ų208101.2 Ų101.282%0.81648%0.475SS*.  trans-58.6103.8166.3-83.4-88.6000106.1M1 R5M1-Y3 PolarHBondContact O-N 3.5Å; Y3-R5 PolarHBondContact O-N 2.62Å; Y3-R5 VanDerWaalsContact O-N 3.13Å
4S57.2Low69.8Low41 Ų41101.6 Ų101.629%0.28748%0.476SS..PPolyproline II helixtrans-56.9124.517869.30000107.2A2 R6 V379A2-S4 VanDerWaalsContact C-N 3.32Å; A2-S4 PolarHBondContact O-N 3.07Å; S4-R6 PolarHBondContact O-N 3.27Å; S4-V379 VanDerWaalsContact OG-CG2 3.24Å; S4-V379 WeakPolarHBondContact OG-CG2 3.32Å
5R68.3Low69.8Low148 Ų14897.9 Ų97.956%0.55846%0.463SS*.PPolyproline II helixtrans-57.6131.7-178.1-69.2176.7177.4170.6-1.5108.7Y3 F378 V379Y3-R5 PolarHBondContact O-N 2.62Å; Y3-R5 VanDerWaalsContact O-N 3.13Å; R5-F378 HydrophobicContact CB-CB 4.38Å; R5-F378 WeakPolarHBondContact O-CB 3.22Å; R5-V379 PolarHBondContact O-N 3.2Å
6R73.8Confident69.3Low171 Ų171100.3 Ų100.365%0.64548%0.48SS*.BIsolated β-bridgetrans-100.7122.1-180-60.4-176.9-176.7-157.6-5.4109.3S4 V379 E382S4-R6 PolarHBondContact O-N 3.27Å; R6-V379 WeakPolarHBondContact CA-O 3.35Å; R6-V379 HydrophobicContact CG-CB 4.28Å; R6-E382 IonicContact CZ-OE2 2.85Å; R6-E382 IonicContact NH1-OE2 3.73Å; R6-E382 PolarHBondContact NH1-OE2 2.94Å; R6-E382 IonicContact NH2-OE2 2.76Å
7L76.9Confident68.1Low10 Ų1097.1 Ų97.15%0.05247%0.466CS..  trans-125.2134.9176.4-64.4175.3000107.9L9 F378 V379 A380 G381 L444 L452L7-L9 HydrophobicContact CB-CD1 4.36Å; L7-L9 HydrophobicContact CB-CD2 3.84Å; L7-L9 HydrophobicContact CB-CG 3.77Å; L7-L9 HydrophobicContact CD1-CD1 4.44Å; L7-L9 HydrophobicContact CD1-CD2 4.42Å; L7-L9 PolarHBondContact O-N 3.24Å; L7-F378 HydrophobicContact CB-CD2 4.46Å; L7-F378 HydrophobicContact CD1-CD2 3.96Å; L7-F378 HydrophobicContact CD1-CE2 4.1Å; L7-F378 HydrophobicContact CD1-CG 4.38Å; L7-F378 HydrophobicContact CG-CD2 4.47Å; L7-V379 PolarHBondContact N-O 3.29Å; L7-V379 VanDerWaalsContact O-O 3.13Å; L7-A380 CarbonylContact O-C 3.52Å; L7-A380 VanDerWaalsContact O-CA 3.31Å; L7-A380 WeakPolarHBondContact O-CA 3.24Å; L7-G381 PolarHBondContact O-N 3.45Å; L7-L444 HydrophobicContact CD1-CD2 3.79Å; L7-L444 HydrophobicContact CD2-CD2 4.19Å; L7-L452 HydrophobicContact CD1-CD2 3.48Å; L7-L452 VanDerWaalsContact CD1-CD2 3.48Å
8L81.9Confident66.6Low103 Ų10399.1 Ų99.154%0.53948%0.479SS..  trans-90.475176.6-76.3156.6000109.1K435L8-K435 PolarHBondContact O-NZ 3.44Å
9L82.8Confident65.4Low2 Ų2103.3 Ų103.31%0.0150%0.504CS..  trans-89.8-5.3-177.5-54.7-172.3000113.4L7 F378 A380 K435 K440L7-L9 HydrophobicContact CB-CD1 4.36Å; L7-L9 HydrophobicContact CB-CD2 3.84Å; L7-L9 HydrophobicContact CB-CG 3.77Å; L7-L9 HydrophobicContact CD1-CD1 4.44Å; L7-L9 HydrophobicContact CD1-CD2 4.42Å; L7-L9 PolarHBondContact O-N 3.24Å; L9-F378 HydrophobicContact CD1-CE2 3.41Å; L9-F378 VanDerWaalsContact CD1-CE2 3.41Å; L9-F378 HydrophobicContact CD1-CZ 3.67Å; L9-F378 HydrophobicContact CG-CE2 4.39Å; L9-A380 HydrophobicContact CB-CB 4.33Å; L9-A380 HydrophobicContact CD1-CB 4.3Å; L9-A380 HydrophobicContact CG-CB 4.49Å; L9-A380 PolarHBondContact N-O 3.09Å; L9-K435 WeakPolarHBondContact O-CB 3.42Å; L9-K435 WeakPolarHBondContact O-CG 3.28Å; L9-K435 PolarHBondContact O-N 3.49Å; L9-K440 HydrophobicContact CD1-CD 4.18Å; L9-K440 HydrophobicContact CD2-CB 4.38Å; L9-K440 HydrophobicContact CD2-CG 4.08Å
10F86.3Confident64.2Low3 Ų399.7 Ų99.71%0.01350%0.495CS..EExtended strand (participates in β ladder)trans-113.5141.8175-76.5-103000109.6Y292 Y295 I371 A380 F383 I398 L432 T433 E434F10-Y292 HydrophobicContact CE1-CD1 4.28Å; F10-Y292 HydrophobicContact CE1-CE1 4.12Å; F10-Y292 HydrophobicContact CZ-CD1 4.33Å; F10-Y292 HydrophobicContact CZ-CE1 4.4Å; F10-Y295 HydrophobicContact CE2-CD1 4.33Å; F10-Y295 HydrophobicContact CE2-CD2 4.15Å; F10-Y295 HydrophobicContact CE2-CE1 4.2Å; F10-Y295 AromaticContact CE2-CE2 4Å; F10-Y295 HydrophobicContact CE2-CE2 4Å; F10-Y295 HydrophobicContact CE2-CG 4.31Å; F10-Y295 AromaticContact CZ-CD2 3.74Å; F10-Y295 HydrophobicContact CZ-CD2 3.74Å; F10-Y295 AromaticContact CZ-CE2 3.8Å; F10-Y295 HydrophobicContact CZ-CE2 3.8Å; F10-Y295 HydrophobicContact CZ-CG 4.2Å; F10-I371 HydrophobicContact CB-CD1 4.31Å; F10-I371 HydrophobicContact CD1-CD1 3.83Å; F10-I371 HydrophobicContact CD2-CD1 3.88Å; F10-I371 HydrophobicContact CD2-CG2 4.25Å; F10-I371 HydrophobicContact CE1-CD1 4.06Å; F10-I371 HydrophobicContact CE2-CD1 4.14Å; F10-I371 HydrophobicContact CE2-CG2 3.68Å; F10-I371 HydrophobicContact CG-CD1 3.73Å; F10-I371 HydrophobicContact CZ-CD1 4.22Å; F10-I371 HydrophobicContact CZ-CG2 3.98Å; F10-A380 HydrophobicContact CD2-CB 4.09Å; F10-A380 HydrophobicContact CE2-CB 3.91Å; F10-F383 HydrophobicContact CB-CE2 3.77Å; F10-F383 HydrophobicContact CB-CZ 3.61Å; F10-F383 WeakPolarHBondContact O-CZ 3.49Å; F10-I398 HydrophobicContact CD1-CD1 4.43Å; F10-I398 HydrophobicContact CE1-CD1 3.88Å; F10-I398 HydrophobicContact CZ-CD1 4.47Å; F10-L432 HydrophobicContact CD1-CB 4.29Å; F10-T433 CarbonylContact C-O 3.57Å; F10-T433 WeakPolarHBondContact CA-O 3.36Å; F10-E434 HydrophobicContact CD1-CB 4.14Å; F10-E434 HydrophobicContact CE1-CB 3.68Å; F10-E434 HydrophobicContact CE1-CG 4.26Å; F10-E434 HydrophobicContact CE2-CG 4.27Å; F10-E434 HydrophobicContact CZ-CB 3.89Å; F10-E434 HydrophobicContact CZ-CG 3.95Å
11D84.5Confident63.3Low64 Ų64102.5 Ų102.534%0.34251%0.507SS..EExtended strand (participates in β ladder)trans-101.2136171.2-70.7-37.5000109.9L432 T433 K435D11-L432 WeakPolarHBondContact O-CA 3.29Å; D11-T433 PolarHBondContact N-O 3.4Å; D11-T433 PolarHBondContact O-N 3.49Å; D11-K435 WeakPolarHBondContact OD1-CE 3.3Å; D11-K435 IonicContact OD1-NZ 2.96Å; D11-K435 PolarHBondContact OD1-NZ 3.33Å; D11-K435 WeakPolarHBondContact OD2-CE 3.35Å
12R84.6Confident64.2Low123 Ų12396.3 Ų96.346%0.46449%0.485SS..EExtended strand (participates in β ladder)trans-89.4121.7171.5173.7-178.5165.3177.4-5.5108.7E14 F383 I430 L432R12-E14 IonicContact CZ-OE1 3.19Å; R12-E14 IonicContact NE-OE1 3.71Å; R12-E14 IonicContact NH2-OE1 3.66Å; R12-E14 PolarHBondContact NH2-OE1 3.4Å; R12-F383 HydrophobicContact CB-CD1 4.18Å; R12-F383 HydrophobicContact CB-CE1 4.08Å; R12-I430 HydrophobicContact CG-CG2 3.77Å; R12-L432 HydrophobicContact CB-CD2 3.9Å; R12-L432 HydrophobicContact CG-CD2 4.22Å
13K83.7Confident64.5Low123 Ų12395.4 Ų95.454%0.53546%0.464SS..EExtended strand (participates in β ladder)trans-124.3134.3171.3-66.3179.9-178.8173.90109.1C431K13-C431 PolarHBondContact N-O 2.83Å; K13-C431 PolarHBondContact O-N 3.34Å
14E75.8Confident64.4Low106 Ų10686.3 Ų86.350%0.49543%0.428SS..EExtended strand (participates in β ladder)trans-82.6133.6167.6-66-175-177.800107.4R12 D16R12-E14 IonicContact CZ-OE1 3.19Å; R12-E14 IonicContact NE-OE1 3.71Å; R12-E14 IonicContact NH2-OE1 3.66Å; R12-E14 PolarHBondContact NH2-OE1 3.4Å; E14-D16 PolarHBondContact O-N 3.36Å
15V70.5Confident64Low46 Ų4686.7 Ų86.728%0.27943%0.431SS..  trans-81.5100.1177.9-177.10000106.5L17 Y399 M429 C431V15-L17 HydrophobicContact CG1-CD2 4.2Å; V15-L17 HydrophobicContact CG1-CG 4.34Å; V15-L17 WeakPolarHBondContact O-CG 3.46Å; V15-L17 PolarHBondContact O-N 3.02Å; V15-L17 VanDerWaalsContact O-N 3.14Å; V15-Y399 HydrophobicContact CG2-CE1 4.3Å; V15-M429 HydrophobicContact CB-CB 4.37Å; V15-M429 HydrophobicContact CG2-CG 4.31Å; V15-M429 HydrophobicContact CG2-SD 4.4Å; V15-M429 PolarHBondContact N-O 3.44Å; V15-C431 HydrophobicContact CG2-CB 3.9Å
16D60.7Low63.2Low136 Ų13687.4 Ų87.473%0.72743%0.434SS*.  trans-67.3106.2174.4-71.3-30.6000109.3E14 L18E14-D16 PolarHBondContact O-N 3.36Å; D16-L18 VanDerWaalsContact C-N 3.27Å; D16-L18 PolarHBondContact O-N 3.01Å
17L50.1Low62.2Low47 Ų4779.8 Ų79.825%0.24641%0.406CS..  trans-89.132.5-174.1-70.9160.3000113V15 D19 F24 L58V15-L17 HydrophobicContact CG1-CD2 4.2Å; V15-L17 HydrophobicContact CG1-CG 4.34Å; V15-L17 WeakPolarHBondContact O-CG 3.46Å; V15-L17 PolarHBondContact O-N 3.02Å; V15-L17 VanDerWaalsContact O-N 3.14Å; L17-D19 PolarHBondContact O-N 3.14Å; L17-F24 HydrophobicContact CD1-CD1 3.89Å; L17-F24 HydrophobicContact CD1-CD2 3.78Å; L17-F24 HydrophobicContact CD1-CE1 3.87Å; L17-F24 HydrophobicContact CD1-CE2 3.76Å; L17-F24 HydrophobicContact CD1-CG 3.85Å; L17-F24 HydrophobicContact CD1-CZ 3.8Å; L17-F24 HydrophobicContact CD2-CD2 3.9Å; L17-F24 HydrophobicContact CD2-CE2 4.15Å; L17-F24 HydrophobicContact CG-CD2 4.48Å; L17-L58 HydrophobicContact CD2-CD1 3.2Å; L17-L58 HydrophobicContact CD2-CD2 4.34Å; L17-L58 HydrophobicContact CD2-CG 4.34Å
18L40.4Very low61Low133 Ų13381.8 Ų81.870%0.69642%0.415SS*.THydrogen-bonded Turntrans-80.51.8-161.6-84165.9000117.7D16D16-L18 VanDerWaalsContact C-N 3.27Å; D16-L18 PolarHBondContact O-N 3.01Å
19D43.4Very low59.4Low178 Ų17881.8 Ų81.895%0.95242%0.419SS*.THydrogen-bonded Turntrans-11217.9179.9-77.7-30.5000115.2L17L17-D19 PolarHBondContact O-N 3.14Å
20G42.7Very low57.9Low32 Ų3283 Ų8333%0.3343%0.426SS..  trans-163.843.9-176.300000116.6S22 Q23G20-S22 PolarHBondContact O-N 3.08Å; G20-Q23 PolarHBondContact O-N 2.82Å
21E43.6Very low56.6Low158 Ų15886.5 Ų86.574%0.73845%0.445SS*.Hα-helixtrans-45.7-23.8-177.9-71-169.2150.800115.2S25E21-S25 WeakPolarHBondContact O-CB 3.3Å; E21-S25 PolarHBondContact O-OG 2.69Å
22S50.3Low55.8Low91 Ų9184.5 Ų84.564%0.63644%0.436SS*.Hα-helixtrans-75.9-25.9177.765.40000115.4G20 S25G20-S22 PolarHBondContact O-N 3.08Å; S22-S25 PolarHBondContact O-OG 2.86Å; S22-S25 VanDerWaalsContact O-OG 3.1Å
23Q48.2Very low55.1Low81 Ų8179.4 Ų79.438%0.37942%0.418SS..Hα-helixtrans-88.2-47.5-176.8-62.8-168.227.900111G20 S25 R26 L58 I60G20-Q23 PolarHBondContact O-N 2.82Å; Q23-S25 VanDerWaalsContact C-N 3.34Å; Q23-S25 PolarHBondContact O-N 3.36Å; Q23-R26 WeakPolarHBondContact O-CB 3.47Å; Q23-R26 PolarHBondContact O-N 3.22Å; Q23-R26 VanDerWaalsContact O-N 3.11Å; Q23-L58 PolarHBondContact OE1-O 2.92Å; Q23-I60 HydrophobicContact CB-CD1 4.36Å; Q23-I60 WeakPolarHBondContact O-CD1 3.32Å
24F46.9Very low54.9Low16 Ų1674.2 Ų74.27%0.0740%0.397CS..Hα-helixtrans-72.3-24.2-176.8-148.7-90.1000113.9L17 R26 L27 Q28 L401 M429L17-F24 HydrophobicContact CD1-CD1 3.89Å; L17-F24 HydrophobicContact CD1-CD2 3.78Å; L17-F24 HydrophobicContact CD1-CE1 3.87Å; L17-F24 HydrophobicContact CD1-CE2 3.76Å; L17-F24 HydrophobicContact CD1-CG 3.85Å; L17-F24 HydrophobicContact CD1-CZ 3.8Å; L17-F24 HydrophobicContact CD2-CD2 3.9Å; L17-F24 HydrophobicContact CD2-CE2 4.15Å; L17-F24 HydrophobicContact CG-CD2 4.48Å; F24-R26 PolarHBondContact O-N 3.18Å; F24-R26 VanDerWaalsContact O-N 3.15Å; F24-L27 HydrophobicContact CD1-CB 4.29Å; F24-L27 HydrophobicContact CD2-CD1 3.6Å; F24-L27 HydrophobicContact CE1-CB 4.26Å; F24-L27 HydrophobicContact CE2-CB 4.48Å; F24-L27 HydrophobicContact CE2-CD1 3.48Å; F24-L27 VanDerWaalsContact CE2-CD1 3.48Å; F24-L27 HydrophobicContact CG-CB 4.42Å; F24-L27 HydrophobicContact CG-CD1 4.27Å; F24-L27 HydrophobicContact CZ-CB 4.35Å; F24-L27 HydrophobicContact CZ-CD1 4.07Å; F24-L27 WeakPolarHBondContact O-CA 3.35Å; F24-L27 WeakPolarHBondContact O-CB 3.48Å; F24-L27 PolarHBondContact O-N 3.5Å; F24-Q28 HydrophobicContact CD1-CG 4.12Å; F24-Q28 PolarHBondContact O-N 3.16Å; F24-L401 HydrophobicContact CZ-CD1 4.27Å; F24-M429 HydrophobicContact CE2-CE 3.81Å; F24-M429 HydrophobicContact CZ-CE 3.89Å
25S48.9Very low55.2Low49 Ų4971.2 Ų71.234%0.34339%0.386SS..Hα-helixtrans-56.5-27.3169.842.40000112.3E21 S22 Q23 T29E21-S25 WeakPolarHBondContact O-CB 3.3Å; E21-S25 PolarHBondContact O-OG 2.69Å; S22-S25 PolarHBondContact O-OG 2.86Å; S22-S25 VanDerWaalsContact O-OG 3.1Å; Q23-S25 VanDerWaalsContact C-N 3.34Å; Q23-S25 PolarHBondContact O-N 3.36Å; S25-T29 PolarHBondContact O-N 2.99Å; S25-T29 PolarHBondContact O-OG1 3.09Å; S25-T29 VanDerWaalsContact O-OG1 3.14Å
26R50.4Low56Low163 Ų16369.7 Ų69.762%0.61538%0.376SS*.Hα-helixtrans-68.6-37.5170-57.5-175.293.41625.9112.3Q23 F24 T29 V30 I60Q23-R26 WeakPolarHBondContact O-CB 3.47Å; Q23-R26 PolarHBondContact O-N 3.22Å; Q23-R26 VanDerWaalsContact O-N 3.11Å; F24-R26 PolarHBondContact O-N 3.18Å; F24-R26 VanDerWaalsContact O-N 3.15Å; R26-T29 PolarHBondContact O-OG1 3.15Å; R26-V30 WeakPolarHBondContact O-CG2 3.29Å; R26-V30 PolarHBondContact O-N 3.36Å; R26-I60 HydrophobicContact CB-CD1 4.31Å
27L54.4Low57.3Low12 Ų1265.3 Ų65.36%0.06335%0.35CS..Hα-helixtrans-70.6-34.8175-80159.7000112.5F24 T29 V30 F44 V54 I60F24-L27 HydrophobicContact CD1-CB 4.29Å; F24-L27 HydrophobicContact CD2-CD1 3.6Å; F24-L27 HydrophobicContact CE1-CB 4.26Å; F24-L27 HydrophobicContact CE2-CB 4.48Å; F24-L27 HydrophobicContact CE2-CD1 3.48Å; F24-L27 VanDerWaalsContact CE2-CD1 3.48Å; F24-L27 HydrophobicContact CG-CB 4.42Å; F24-L27 HydrophobicContact CG-CD1 4.27Å; F24-L27 HydrophobicContact CZ-CB 4.35Å; F24-L27 HydrophobicContact CZ-CD1 4.07Å; F24-L27 WeakPolarHBondContact O-CA 3.35Å; F24-L27 WeakPolarHBondContact O-CB 3.48Å; F24-L27 PolarHBondContact O-N 3.5Å; L27-T29 PolarHBondContact O-N 3.39Å; L27-V30 PolarHBondContact O-N 3.47Å; L27-F44 HydrophobicContact CD2-CD2 3.73Å; L27-F44 HydrophobicContact CD2-CE2 3.67Å; L27-F44 HydrophobicContact CD2-CG 4.26Å; L27-F44 HydrophobicContact CD2-CZ 4.11Å; L27-V54 HydrophobicContact CD1-CG2 4.02Å; L27-V54 HydrophobicContact CD2-CG2 4.05Å; L27-I60 HydrophobicContact CD1-CD1 3.71Å; L27-I60 HydrophobicContact CD1-CG1 4.23Å; L27-I60 HydrophobicContact CG-CD1 3.75Å
28Q50.4Low59Low52 Ų5263.4 Ų63.424%0.24334%0.341CS..Hα-helixtrans-61.9-29177.6-68.9179.1-5.800112.9F24F24-Q28 HydrophobicContact CD1-CG 4.12Å; F24-Q28 PolarHBondContact O-N 3.16Å
29T48Very low61.1Low102 Ų10261.8 Ų61.863%0.62633%0.326SS*.Hα-helixtrans-93.7-12.9-179.149.30000114.1S25 R26 L27 N31S25-T29 PolarHBondContact O-N 2.99Å; S25-T29 PolarHBondContact O-OG1 3.09Å; S25-T29 VanDerWaalsContact O-OG1 3.14Å; R26-T29 PolarHBondContact O-OG1 3.15Å; L27-T29 PolarHBondContact O-N 3.39Å; T29-N31 PolarHBondContact O-N 3.18Å
30V52.5Low63Low27 Ų2754.5 Ų54.516%0.16429%0.293CS..  trans-72.8113.4-179.8177.40000108.8R26 L27 T32 D46R26-V30 WeakPolarHBondContact O-CG2 3.29Å; R26-V30 PolarHBondContact O-N 3.36Å; L27-V30 PolarHBondContact O-N 3.47Å; V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 HydrophobicContact CB-CG2 4.2Å; V30-T32 HydrophobicContact CG1-CG2 3.63Å; V30-T32 PolarHBondContact O-N 3.39Å; V30-D46 HydrophobicContact CG1-CB 3.92Å
31N59.4Low65.1Low77 Ų7755.2 Ų55.241%0.41229%0.288SS..  trans-73.589.2167.3-170.824.8000108.1T29 N33 D46 S47T29-N31 PolarHBondContact O-N 3.18Å; N31-N33 PolarHBondContact O-N 3.49Å; N31-N33 PolarHBondContact O-OD1 2.87Å; N31-D46 WeakPolarHBondContact O-CA 3.45Å; N31-S47 PolarHBondContact O-N 3.19Å
32T65.8Low67.1Low23 Ų2347.7 Ų47.714%0.14125%0.253CS..EExtended strand (participates in β ladder)trans-76.5115.9-173.556.40000110.3V30 F44 G45V30-T32 VanDerWaalsContact C-N 3.31Å; V30-T32 HydrophobicContact CB-CG2 4.2Å; V30-T32 HydrophobicContact CG1-CG2 3.63Å; V30-T32 PolarHBondContact O-N 3.39Å; T32-F44 HydrophobicContact CG2-CB 4.08Å; T32-F44 HydrophobicContact CG2-CD1 3.55Å; T32-F44 HydrophobicContact CG2-CE1 4.38Å; T32-F44 HydrophobicContact CG2-CG 4.2Å; T32-G45 CarbonylContact C-O 3.44Å
33N71.6Confident68.8Low16 Ų1643.4 Ų43.49%0.08622%0.222CC..EExtended strand (participates in β ladder)trans-87.7-38175.6-81.260.7000112.5N31 G45 S47 C69 V70 S358 Q359N31-N33 PolarHBondContact O-N 3.49Å; N31-N33 PolarHBondContact O-OD1 2.87Å; N33-G45 PolarHBondContact N-O 3.25Å; N33-S47 WeakPolarHBondContact OD1-CA 3.22Å; N33-S47 WeakPolarHBondContact OD1-CB 3.29Å; N33-S47 PolarHBondContact OD1-N 3.41Å; N33-S47 VanDerWaalsContact OD1-N 3.16Å; N33-C69 PolarHBondContact ND2-SG 2.85Å; N33-V70 WeakPolarHBondContact CB-O 3.43Å; N33-S358 PolarHBondContact ND2-OG 3.05Å; N33-Q359 CarbonylContact O-C 3.5Å
34C78Confident70.6Confident13 Ų1339.7 Ų39.79%0.08821%0.205CC..EExtended strand (participates in β ladder)trans-146.3158.917860.50000110.3G45 V70 H71C34-G45 PolarHBondContact N-O 3.22Å; C34-G45 PolarHBondContact O-N 3.39Å; C34-V70 PolarHBondContact SG-O 3.24Å; C34-V70 VanDerWaalsContact SG-O 3.39Å; C34-H71 WeakPolarHBondContact CB-O 3.44Å
35T83Confident72.4Confident43 Ų4339 Ų3926%0.26420%0.202SC..EExtended strand (participates in β ladder)trans-142.5149179.761.90000110.9W43 F44 A390 F392T35-W43 VanDerWaalsContact CA-O 3.26Å; T35-W43 WeakPolarHBondContact CA-O 3.26Å; T35-F44 HydrophobicContact CG2-CD1 3.56Å; T35-F44 HydrophobicContact CG2-CE1 4.01Å; T35-F44 HydrophobicContact CG2-CG 4.44Å; T35-A390 HydrophobicContact CG2-CB 4.13Å; T35-F392 VanDerWaalsContact CB-CE1 3.47Å; T35-F392 HydrophobicContact CG2-CE1 3.78Å; T35-F392 HydrophobicContact CG2-CZ 4.07Å; T35-F392 WeakPolarHBondContact OG1-CE1 3.4Å
36T86.9Confident73.9Confident14 Ų1437.2 Ų37.29%0.08619%0.189CC..EExtended strand (participates in β ladder)trans-147.5160.2172.8-173.30000108.3W43 M73 Q75 L82T36-W43 HydrophobicContact CG2-CB 3.67Å; T36-W43 HydrophobicContact CG2-CG 4.24Å; T36-W43 PolarHBondContact N-O 3.43Å; T36-W43 PolarHBondContact O-N 2.88Å; T36-M73 HydrophobicContact CG2-CB 3.7Å; T36-M73 HydrophobicContact CG2-CE 4.36Å; T36-Q75 HydrophobicContact CG2-CB 3.95Å; T36-Q75 PolarHBondContact OG1-N 2.88Å; T36-Q75 VanDerWaalsContact OG1-N 3.14Å; T36-L82 HydrophobicContact CG2-CD1 4.03Å
37Y88.7Confident75.3Confident45 Ų4531 Ų3118%0.17617%0.17CC..EExtended strand (participates in β ladder)trans-138.5160.117854.6-91.5000109.4H41 E290 F392 I393Y37-H41 WeakPolarHBondContact CA-O 3.46Å; Y37-E290 PolarHBondContact OH-OE2 3.1Å; Y37-F392 HydrophobicContact CD1-CB 4.12Å; Y37-F392 HydrophobicContact CD1-CD1 4.23Å; Y37-F392 HydrophobicContact CG-CB 4.41Å; Y37-I393 HydrophobicContact CD2-CB 4.3Å; Y37-I393 WeakPolarHBondContact CD2-O 3.36Å; Y37-I393 HydrophobicContact CE2-CB 3.64Å; Y37-I393 HydrophobicContact CE2-CG1 4.49Å; Y37-I393 WeakPolarHBondContact CE2-O 3.06Å
38G85.3Confident76.5Confident6 Ų637.9 Ų37.96%0.06220%0.196CC..EExtended strand (participates in β ladder)trans157.3155.617700000111.9G40 H41 E394G38-G40 PolarHBondContact O-N 3.26Å; G38-H41 PolarHBondContact N-O 3.46Å; G38-H41 PolarHBondContact O-N 2.93Å; G38-E394 WeakPolarHBondContact CA-OE2 3.37Å; G38-E394 PolarHBondContact N-OE2 3.03Å
39R85Confident78.2Confident99 Ų9935.4 Ų35.437%0.37419%0.185SC..THydrogen-bonded Turntrans54.137.8175.3-56.2-173.668.495.6-12.8113.3H41 K77 E78 H79 D80R39-H41 VanDerWaalsContact C-N 3.29Å; R39-H41 PolarHBondContact O-CD2 2.88Å; R39-H41 PolarHBondContact O-N 2.8Å; R39-K77 WeakPolarHBondContact CG-O 3.28Å; R39-K77 PolarHBondContact NH1-O 3.48Å; R39-E78 PolarHBondContact NH1-O 3.5Å; R39-H79 WeakPolarHBondContact CD-O 3.28Å; R39-D80 IonicContact CZ-OD1 2.8Å; R39-D80 VanDerWaalsContact CZ-OD1 3.23Å; R39-D80 IonicContact CZ-OD2 3.85Å; R39-D80 IonicContact NE-OD1 3.29Å; R39-D80 PolarHBondContact NE-OD1 3.34Å; R39-D80 VanDerWaalsContact NH2-CG 3.27Å; R39-D80 IonicContact NH2-OD1 2.79Å; R39-D80 PolarHBondContact NH2-OD1 3.17Å; R39-D80 VanDerWaalsContact NH2-OD1 3.08Å; R39-D80 IonicContact NH2-OD2 2.83Å; R39-D80 PolarHBondContact NH2-OD2 2.88Å
40G83.5Confident80Confident25 Ų2534.1 Ų34.126%0.25817%0.17SC..THydrogen-bonded Turntrans78.17.7179.200000115G38 E394 W395G38-G40 PolarHBondContact O-N 3.26Å; G40-E394 VanDerWaalsContact CA-OE1 3.27Å; G40-E394 WeakPolarHBondContact CA-OE1 3.47Å; G40-E394 PolarHBondContact N-OE1 3.03Å; G40-W395 PolarHBondContact O-NE1 3.09Å
41H85.7Confident81.7Confident47 Ų4732.8 Ų32.822%0.21816%0.163CC..EExtended strand (participates in β ladder)trans-124.5147.1-177.9-62.6-54.9000112.2Y37 G38 R39 R53 V54Y37-H41 WeakPolarHBondContact CA-O 3.46Å; G38-H41 PolarHBondContact N-O 3.46Å; G38-H41 PolarHBondContact O-N 2.93Å; R39-H41 VanDerWaalsContact C-N 3.29Å; R39-H41 PolarHBondContact O-CD2 2.88Å; R39-H41 PolarHBondContact O-N 2.8Å; H41-R53 HydrophobicContact CB-CG 3.83Å; H41-R53 PolarHBondContact NE2-NH1 2.92Å; H41-V54 WeakPolarHBondContact CA-O 3.42Å
42I85.8Confident83Confident1 Ų129.6 Ų29.61%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-111133.6170.9-53.2175.6000108F44 R53 V54 F392 E394 W395I42-F44 HydrophobicContact CB-CE2 4.2Å; I42-F44 HydrophobicContact CG2-CD2 4.27Å; I42-F44 HydrophobicContact CG2-CE2 3.53Å; I42-F44 HydrophobicContact CG2-CZ 3.67Å; I42-R53 CarbonylContact O-C 3.35Å; I42-R53 WeakPolarHBondContact O-CA 3.27Å; I42-V54 HydrophobicContact CB-CB 4.41Å; I42-V54 PolarHBondContact N-O 3.29Å; I42-V54 PolarHBondContact O-N 3.16Å; I42-F392 HydrophobicContact CD1-CB 4.16Å; I42-F392 HydrophobicContact CD1-CD2 4.13Å; I42-F392 HydrophobicContact CD1-CG 4.19Å; I42-F392 HydrophobicContact CG2-CB 4.49Å; I42-F392 HydrophobicContact CG2-CD1 3.74Å; I42-F392 HydrophobicContact CG2-CD2 4.12Å; I42-F392 HydrophobicContact CG2-CE1 3.99Å; I42-F392 HydrophobicContact CG2-CE2 4.31Å; I42-F392 HydrophobicContact CG2-CG 3.81Å; I42-F392 HydrophobicContact CG2-CZ 4.24Å; I42-E394 HydrophobicContact CG1-CB 4.47Å; I42-W395 HydrophobicContact CD1-CH2 3.39Å; I42-W395 HydrophobicContact CD1-CZ2 3.85Å; I42-W395 HydrophobicContact CD1-CZ3 3.77Å; I42-W395 HydrophobicContact CG1-CH2 4.03Å; I42-W395 HydrophobicContact CG1-CZ2 3.98Å
43W86.4Confident84Confident0 Ų030.9 Ų30.90%015%0.148CC..EExtended strand (participates in β ladder)trans-116.6133.2-178.6-69.996.2000111.2T35 T36 A51 C52 R53 F63 M73 L82 L100T35-W43 VanDerWaalsContact CA-O 3.26Å; T35-W43 WeakPolarHBondContact CA-O 3.26Å; T36-W43 HydrophobicContact CG2-CB 3.67Å; T36-W43 HydrophobicContact CG2-CG 4.24Å; T36-W43 PolarHBondContact N-O 3.43Å; T36-W43 PolarHBondContact O-N 2.88Å; W43-A51 HydrophobicContact CE3-CB 4.12Å; W43-A51 HydrophobicContact CZ3-CB 4.13Å; W43-C52 CarbonylContact C-O 3.58Å; W43-C52 VanDerWaalsContact CA-O 3.29Å; W43-C52 WeakPolarHBondContact CA-O 3.4Å; W43-R53 HydrophobicContact CD2-CB 3.94Å; W43-R53 HydrophobicContact CD2-CG 4.08Å; W43-R53 HydrophobicContact CE3-CB 3.67Å; W43-R53 HydrophobicContact CE3-CG 4.32Å; W43-R53 HydrophobicContact CH2-CB 3.64Å; W43-R53 HydrophobicContact CH2-CG 3.99Å; W43-R53 HydrophobicContact CZ2-CB 3.91Å; W43-R53 VanDerWaalsContact CZ2-CD 3.44Å; W43-R53 HydrophobicContact CZ2-CG 3.73Å; W43-R53 HydrophobicContact CZ3-CB 3.52Å; W43-R53 HydrophobicContact CZ3-CG 4.27Å; W43-F63 HydrophobicContact CH2-CD1 4.4Å; W43-F63 AromaticContact CH2-CE1 3.75Å; W43-F63 HydrophobicContact CH2-CE1 3.75Å; W43-F63 HydrophobicContact CZ3-CD1 4.08Å; W43-F63 AromaticContact CZ3-CE1 3.5Å; W43-F63 HydrophobicContact CZ3-CE1 3.5Å; W43-M73 HydrophobicContact CB-CE 3.81Å; W43-L82 HydrophobicContact CD2-CD1 4.31Å; W43-L82 HydrophobicContact CD2-CD2 3.87Å; W43-L82 HydrophobicContact CE3-CD2 3.74Å; W43-L82 HydrophobicContact CG-CD1 4.24Å; W43-L82 HydrophobicContact CH2-CD2 3.9Å; W43-L82 HydrophobicContact CZ2-CD2 4.01Å; W43-L82 HydrophobicContact CZ3-CD2 3.76Å; W43-L100 HydrophobicContact CH2-CD2 3.85Å; W43-L100 HydrophobicContact CZ2-CD1 3.76Å; W43-L100 HydrophobicContact CZ2-CD2 3.7Å; W43-L100 HydrophobicContact CZ2-CG 4.39Å
44F85.3Confident84.5Confident4 Ų430.2 Ų30.22%0.01815%0.145CC..EExtended strand (participates in β ladder)trans-120.3125176.2-60.2-90.4000110L27 T32 T35 I42 A51 C52 V54 F392 L401L27-F44 HydrophobicContact CD2-CD2 3.73Å; L27-F44 HydrophobicContact CD2-CE2 3.67Å; L27-F44 HydrophobicContact CD2-CG 4.26Å; L27-F44 HydrophobicContact CD2-CZ 4.11Å; T32-F44 HydrophobicContact CG2-CB 4.08Å; T32-F44 HydrophobicContact CG2-CD1 3.55Å; T32-F44 HydrophobicContact CG2-CE1 4.38Å; T32-F44 HydrophobicContact CG2-CG 4.2Å; T35-F44 HydrophobicContact CG2-CD1 3.56Å; T35-F44 HydrophobicContact CG2-CE1 4.01Å; T35-F44 HydrophobicContact CG2-CG 4.44Å; I42-F44 HydrophobicContact CB-CE2 4.2Å; I42-F44 HydrophobicContact CG2-CD2 4.27Å; I42-F44 HydrophobicContact CG2-CE2 3.53Å; I42-F44 HydrophobicContact CG2-CZ 3.67Å; F44-A51 WeakPolarHBondContact O-CA 3.33Å; F44-C52 HydrophobicContact CB-CB 4.23Å; F44-C52 PolarHBondContact N-O 3.02Å; F44-C52 PolarHBondContact O-N 3.39Å; F44-V54 HydrophobicContact CD2-CG2 3.91Å; F44-V54 HydrophobicContact CE2-CB 4.43Å; F44-V54 HydrophobicContact CE2-CG2 3.63Å; F44-F392 HydrophobicContact CD1-CZ 4.32Å; F44-F392 HydrophobicContact CE1-CE1 4.14Å; F44-F392 AromaticContact CE1-CE2 3.92Å; F44-F392 HydrophobicContact CE1-CE2 3.92Å; F44-F392 AromaticContact CE1-CZ 3.33Å; F44-F392 HydrophobicContact CE1-CZ 3.33Å; F44-F392 HydrophobicContact CZ-CE1 4.42Å; F44-F392 AromaticContact CZ-CE2 3.81Å; F44-F392 HydrophobicContact CZ-CE2 3.81Å; F44-F392 AromaticContact CZ-CZ 3.63Å; F44-F392 HydrophobicContact CZ-CZ 3.63Å; F44-L401 HydrophobicContact CE1-CD2 4.16Å
45G84.5Confident84.7Confident0 Ų031.8 Ų31.80%015%0.153CC..EExtended strand (participates in β ladder)trans-103128.417700000108.2T32 N33 C34 F50T32-G45 CarbonylContact C-O 3.44Å; N33-G45 PolarHBondContact N-O 3.25Å; C34-G45 PolarHBondContact N-O 3.22Å; C34-G45 PolarHBondContact O-N 3.39Å; G45-F50 WeakPolarHBondContact CA-O 3.35Å
46D80.4Confident84.6Confident13 Ų1338.9 Ų38.97%0.0717%0.174CC..EExtended strand (participates in β ladder)trans-102.2173.4-17776.35.4000113.1V30 N31 Y48 G49 F50 V70V30-D46 HydrophobicContact CG1-CB 3.92Å; N31-D46 WeakPolarHBondContact O-CA 3.45Å; D46-Y48 PolarHBondContact O-N 2.91Å; D46-Y48 VanDerWaalsContact OD1-C 3.29Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.47Å; D46-Y48 PolarHBondContact OD1-N 2.84Å; D46-G49 PolarHBondContact OD1-N 3Å; D46-F50 PolarHBondContact N-O 3.24Å; D46-F50 VanDerWaalsContact N-O 3.07Å; D46-F50 PolarHBondContact OD1-N 3.45Å; D46-F50 WeakPolarHBondContact OD2-CB 3.36Å; D46-V70 PolarHBondContact O-N 3.22Å; D46-V70 VanDerWaalsContact O-N 3.07Å
47S79.6Confident84.1Confident31 Ų3140.5 Ų40.522%0.21719%0.194CC..THydrogen-bonded Turntrans-69.5-10.4174.154.60000114.2N31 N33 C69N31-S47 PolarHBondContact O-N 3.19Å; N33-S47 WeakPolarHBondContact OD1-CA 3.22Å; N33-S47 WeakPolarHBondContact OD1-CB 3.29Å; N33-S47 PolarHBondContact OD1-N 3.41Å; N33-S47 VanDerWaalsContact OD1-N 3.16Å; S47-C69 WeakPolarHBondContact O-CA 3.35Å; S47-C69 PolarHBondContact O-N 2.84Å
48Y81.3Confident83.4Confident158 Ų15840.5 Ų40.562%0.6220%0.197SC*.THydrogen-bonded Turntrans-102.3-5.3-175.7-57.8-73.9000113.4D46D46-Y48 PolarHBondContact O-N 2.91Å; D46-Y48 VanDerWaalsContact OD1-C 3.29Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.47Å; D46-Y48 PolarHBondContact OD1-N 2.84Å
49G84.7Confident82.9Confident0 Ų044.9 Ų44.90%022%0.216CC..SBendtrans987.2177.500000115.8D46 A65 H66 S68D46-G49 PolarHBondContact OD1-N 3Å; G49-A65 PolarHBondContact O-N 3.2Å; G49-H66 WeakPolarHBondContact CA-O 3.41Å; G49-H66 PolarHBondContact O-N 3.18Å; G49-S68 WeakPolarHBondContact CA-O 3.45Å; G49-S68 PolarHBondContact N-O 3.33Å; G49-S68 VanDerWaalsContact N-O 3.16Å
50F86.7Confident82.6Confident74 Ų7441.9 Ų41.933%0.32521%0.207SC..EExtended strand (participates in β ladder)trans-86.2140.4174.9-68.1-93.6000111.8G45 D46 F63 Q64G45-F50 WeakPolarHBondContact CA-O 3.35Å; D46-F50 PolarHBondContact N-O 3.24Å; D46-F50 VanDerWaalsContact N-O 3.07Å; D46-F50 PolarHBondContact OD1-N 3.45Å; D46-F50 WeakPolarHBondContact OD2-CB 3.36Å; F50-F63 CarbonylContact C-O 3.6Å; F50-F63 VanDerWaalsContact CA-O 3.31Å; F50-F63 WeakPolarHBondContact CA-O 3.32Å; F50-Q64 HydrophobicContact CD1-CB 4.09Å; F50-Q64 HydrophobicContact CE1-CB 3.83Å; F50-Q64 HydrophobicContact CZ-CB 4.21Å; F50-Q64 HydrophobicContact CZ-CG 4.47Å
51A88.6Confident82.6Confident0 Ų042.2 Ų42.20%020%0.204CC..EExtended strand (participates in β ladder)trans-105.6114.4165.200000108.3W43 F44 S62 F63 A65 M73 L82W43-A51 HydrophobicContact CE3-CB 4.12Å; W43-A51 HydrophobicContact CZ3-CB 4.13Å; F44-A51 WeakPolarHBondContact O-CA 3.33Å; A51-S62 WeakPolarHBondContact O-CA 3.36Å; A51-F63 HydrophobicContact CB-CD1 4.35Å; A51-F63 HydrophobicContact CB-CE1 3.86Å; A51-F63 HydrophobicContact CB-CZ 3.95Å; A51-F63 PolarHBondContact N-O 3.19Å; A51-F63 PolarHBondContact O-N 3.07Å; A51-A65 HydrophobicContact CB-CB 4.22Å; A51-M73 HydrophobicContact CB-SD 3.98Å; A51-L82 HydrophobicContact CB-CD2 4.46Å
52C86.4Confident82.5Confident10 Ų1042.5 Ų42.57%0.06821%0.211CC..EExtended strand (participates in β ladder)trans-102116-179.6-66.10000109.9W43 F44 S62W43-C52 CarbonylContact C-O 3.58Å; W43-C52 VanDerWaalsContact CA-O 3.29Å; W43-C52 WeakPolarHBondContact CA-O 3.4Å; F44-C52 HydrophobicContact CB-CB 4.23Å; F44-C52 PolarHBondContact N-O 3.02Å; F44-C52 PolarHBondContact O-N 3.39Å; C52-S62 WeakPolarHBondContact SG-CB 3.34Å
53R86Confident82.7Confident49 Ų4942.8 Ų42.819%0.18521%0.212CC..EExtended strand (participates in β ladder)trans-93.3134.1174.1-170.2-179.861.1161.7-3.5110.6H41 I42 W43 I60 T61H41-R53 HydrophobicContact CB-CG 3.83Å; H41-R53 PolarHBondContact NE2-NH1 2.92Å; I42-R53 CarbonylContact O-C 3.35Å; I42-R53 WeakPolarHBondContact O-CA 3.27Å; W43-R53 HydrophobicContact CD2-CB 3.94Å; W43-R53 HydrophobicContact CD2-CG 4.08Å; W43-R53 HydrophobicContact CE3-CB 3.67Å; W43-R53 HydrophobicContact CE3-CG 4.32Å; W43-R53 HydrophobicContact CH2-CB 3.64Å; W43-R53 HydrophobicContact CH2-CG 3.99Å; W43-R53 HydrophobicContact CZ2-CB 3.91Å; W43-R53 VanDerWaalsContact CZ2-CD 3.44Å; W43-R53 HydrophobicContact CZ2-CG 3.73Å; W43-R53 HydrophobicContact CZ3-CB 3.52Å; W43-R53 HydrophobicContact CZ3-CG 4.27Å; R53-I60 CarbonylContact O-C 3.55Å; R53-I60 WeakPolarHBondContact O-CA 3.38Å; R53-T61 WeakPolarHBondContact CB-O 3.33Å; R53-T61 PolarHBondContact N-O 3.1Å; R53-T61 PolarHBondContact NE-OG1 3.48Å; R53-T61 PolarHBondContact NH2-OG1 3.14Å; R53-T61 VanDerWaalsContact NH2-OG1 3.15Å; R53-T61 PolarHBondContact O-N 3.45Å
54V83.5Confident82.8Confident2 Ų247.1 Ų47.11%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-119.5129.1174-172.50000108.6L27 H41 I42 F44 L58 H59 I60L27-V54 HydrophobicContact CD1-CG2 4.02Å; L27-V54 HydrophobicContact CD2-CG2 4.05Å; H41-V54 WeakPolarHBondContact CA-O 3.42Å; I42-V54 HydrophobicContact CB-CB 4.41Å; I42-V54 PolarHBondContact N-O 3.29Å; I42-V54 PolarHBondContact O-N 3.16Å; F44-V54 HydrophobicContact CD2-CG2 3.91Å; F44-V54 HydrophobicContact CE2-CB 4.43Å; F44-V54 HydrophobicContact CE2-CG2 3.63Å; V54-L58 HydrophobicContact CG1-CD2 4.25Å; V54-H59 WeakPolarHBondContact CA-O 3.4Å; V54-I60 HydrophobicContact CG2-CG1 4.25Å
55D82.6Confident83Confident47 Ų4747 Ų4725%0.25123%0.233SC..  trans-95.6177.7174.274.915.4000112.7G57 L58 H59 W395D55-G57 PolarHBondContact O-N 3.43Å; D55-G57 VanDerWaalsContact OD1-C 3.27Å; D55-G57 VanDerWaalsContact OD1-CA 3.28Å; D55-G57 WeakPolarHBondContact OD1-CA 3.11Å; D55-G57 PolarHBondContact OD1-N 3.32Å; D55-L58 WeakPolarHBondContact O-CA 3.39Å; D55-L58 PolarHBondContact O-N 3.11Å; D55-L58 PolarHBondContact OD1-N 3.41Å; D55-H59 PolarHBondContact N-O 2.98Å; D55-H59 VanDerWaalsContact N-O 3.16Å; D55-H59 WeakPolarHBondContact OD1-CB 3.43Å; D55-H59 IonicContact OD1-CG 3.2Å; D55-H59 PolarHBondContact OD1-N 3.07Å; D55-H59 IonicContact OD1-ND1 3.28Å; D55-H59 PolarHBondContact OD1-ND1 3Å; D55-H59 WeakPolarHBondContact OD2-CB 3.37Å; D55-H59 IonicContact OD2-CG 3.65Å; D55-H59 IonicContact OD2-ND1 3.06Å; D55-H59 PolarHBondContact OD2-ND1 3.4Å; D55-W395 VanDerWaalsContact C-CZ2 3.44Å; D55-W395 VanDerWaalsContact O-CZ2 3.3Å; D55-W395 WeakPolarHBondContact O-CZ2 3.3Å
56R79.9Confident83.3Confident191 Ų19147.1 Ų47.172%0.72123%0.233SC*.THydrogen-bonded Turntrans-63-26.7179.8-168.3177-179.6-179.51.4113.6L58 W395R56-L58 PolarHBondContact O-N 3.48Å; R56-W395 HydrophobicContact CB-CD2 4.32Å; R56-W395 HydrophobicContact CB-CG 4.33Å; R56-W395 HydrophobicContact CB-CZ2 4.43Å; R56-W395 HydrophobicContact CG-CD2 4.14Å; R56-W395 HydrophobicContact CG-CG 3.96Å
57G75.5Confident83.6Confident49 Ų4949.5 Ų49.551%0.50525%0.246SC..THydrogen-bonded Turntrans-82.36.1172.900000112.9D55 H59D55-G57 PolarHBondContact O-N 3.43Å; D55-G57 VanDerWaalsContact OD1-C 3.27Å; D55-G57 VanDerWaalsContact OD1-CA 3.28Å; D55-G57 WeakPolarHBondContact OD1-CA 3.11Å; D55-G57 PolarHBondContact OD1-N 3.32Å; G57-H59 PolarHBondContact O-N 3.02Å
58L74.1Confident83.9Confident44 Ų4450.3 Ų50.323%0.2325%0.251CS..  trans62.821.5-176.3-57.4161.8000113.7L17 Q23 V54 D55 R56 I60L17-L58 HydrophobicContact CD2-CD1 3.2Å; L17-L58 HydrophobicContact CD2-CD2 4.34Å; L17-L58 HydrophobicContact CD2-CG 4.34Å; Q23-L58 PolarHBondContact OE1-O 2.92Å; V54-L58 HydrophobicContact CG1-CD2 4.25Å; D55-L58 WeakPolarHBondContact O-CA 3.39Å; D55-L58 PolarHBondContact O-N 3.11Å; D55-L58 PolarHBondContact OD1-N 3.41Å; R56-L58 PolarHBondContact O-N 3.48Å; L58-I60 PolarHBondContact O-N 3.41Å
59H75Confident84Confident98 Ų9843.3 Ų43.345%0.45423%0.226SC..  trans-74128.3172.7-53.391.5000109.9V54 D55 G57V54-H59 WeakPolarHBondContact CA-O 3.4Å; D55-H59 PolarHBondContact N-O 2.98Å; D55-H59 VanDerWaalsContact N-O 3.16Å; D55-H59 WeakPolarHBondContact OD1-CB 3.43Å; D55-H59 IonicContact OD1-CG 3.2Å; D55-H59 PolarHBondContact OD1-N 3.07Å; D55-H59 IonicContact OD1-ND1 3.28Å; D55-H59 PolarHBondContact OD1-ND1 3Å; D55-H59 WeakPolarHBondContact OD2-CB 3.37Å; D55-H59 IonicContact OD2-CG 3.65Å; D55-H59 IonicContact OD2-ND1 3.06Å; D55-H59 PolarHBondContact OD2-ND1 3.4Å; G57-H59 PolarHBondContact O-N 3.02Å
60I79.1Confident84.2Confident36 Ų3643.3 Ų43.319%0.18523%0.226CC..EExtended strand (participates in β ladder)trans-101.6125.5-177.2-53.8170.4000109.5Q23 R26 L27 R53 V54 L58Q23-I60 HydrophobicContact CB-CD1 4.36Å; Q23-I60 WeakPolarHBondContact O-CD1 3.32Å; R26-I60 HydrophobicContact CB-CD1 4.31Å; L27-I60 HydrophobicContact CD1-CD1 3.71Å; L27-I60 HydrophobicContact CD1-CG1 4.23Å; L27-I60 HydrophobicContact CG-CD1 3.75Å; R53-I60 CarbonylContact O-C 3.55Å; R53-I60 WeakPolarHBondContact O-CA 3.38Å; V54-I60 HydrophobicContact CG2-CG1 4.25Å; L58-I60 PolarHBondContact O-N 3.41Å
61T82.8Confident84.1Confident32 Ų3240.3 Ų40.320%0.19621%0.212CC..EExtended strand (participates in β ladder)trans-125.6123172.345.30000108.6R53 M107R53-T61 WeakPolarHBondContact CB-O 3.33Å; R53-T61 PolarHBondContact N-O 3.1Å; R53-T61 PolarHBondContact NE-OG1 3.48Å; R53-T61 PolarHBondContact NH2-OG1 3.14Å; R53-T61 VanDerWaalsContact NH2-OG1 3.15Å; R53-T61 PolarHBondContact O-N 3.45Å; T61-M107 HydrophobicContact CG2-CE 4.44Å
62S85.1Confident84.1Confident54 Ų5441.3 Ų41.338%0.37822%0.218SC..EExtended strand (participates in β ladder)trans-122.3149.5-179.164.90000111.8A51 C52A51-S62 WeakPolarHBondContact O-CA 3.36Å; C52-S62 WeakPolarHBondContact SG-CB 3.34Å
63F89.3Confident84.3Confident6 Ų641.4 Ų41.43%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-144155.5173.176.4-90.9000110.1W43 F50 A51 A65 L82 W98 T108 P109W43-F63 HydrophobicContact CH2-CD1 4.4Å; W43-F63 AromaticContact CH2-CE1 3.75Å; W43-F63 HydrophobicContact CH2-CE1 3.75Å; W43-F63 HydrophobicContact CZ3-CD1 4.08Å; W43-F63 AromaticContact CZ3-CE1 3.5Å; W43-F63 HydrophobicContact CZ3-CE1 3.5Å; F50-F63 CarbonylContact C-O 3.6Å; F50-F63 VanDerWaalsContact CA-O 3.31Å; F50-F63 WeakPolarHBondContact CA-O 3.32Å; A51-F63 HydrophobicContact CB-CD1 4.35Å; A51-F63 HydrophobicContact CB-CE1 3.86Å; A51-F63 HydrophobicContact CB-CZ 3.95Å; A51-F63 PolarHBondContact N-O 3.19Å; A51-F63 PolarHBondContact O-N 3.07Å; F63-A65 HydrophobicContact CD2-CB 4.45Å; F63-A65 HydrophobicContact CE2-CB 3.76Å; F63-A65 HydrophobicContact CZ-CB 4.3Å; F63-A65 PolarHBondContact O-N 2.72Å; F63-L82 HydrophobicContact CE1-CD2 4.32Å; F63-L82 HydrophobicContact CZ-CD2 4.2Å; F63-W98 AromaticContact CE2-CD2 3.81Å; F63-W98 HydrophobicContact CE2-CD2 3.81Å; F63-W98 AromaticContact CE2-CE2 3.87Å; F63-W98 AromaticContact CE2-CE3 3.87Å; F63-W98 HydrophobicContact CE2-CE3 3.87Å; F63-W98 HydrophobicContact CE2-CG 4.41Å; F63-W98 HydrophobicContact CE2-CH2 4.05Å; F63-W98 HydrophobicContact CE2-CZ2 4.02Å; F63-W98 AromaticContact CE2-CZ3 3.97Å; F63-W98 HydrophobicContact CE2-CZ3 3.97Å; F63-W98 HydrophobicContact CZ-CD2 4.02Å; F63-W98 HydrophobicContact CZ-CE3 4.36Å; F63-W98 HydrophobicContact CZ-CG 4.15Å; F63-T108 HydrophobicContact CB-CG2 4.12Å; F63-P109 HydrophobicContact CD1-CG 3.89Å; F63-P109 HydrophobicContact CD2-CG 4.07Å; F63-P109 HydrophobicContact CE1-CG 3.51Å; F63-P109 HydrophobicContact CE2-CG 3.72Å; F63-P109 HydrophobicContact CG-CG 4.15Å; F63-P109 HydrophobicContact CZ-CG 3.44Å; F63-P109 VanDerWaalsContact CZ-CG 3.44Å
64Q89.3Confident84.6Confident92 Ų9241.5 Ų41.543%0.4322%0.22SC..EExtended strand (participates in β ladder)trans-82.2109.9177.3-170.8172.215.200110.1F50 H66F50-Q64 HydrophobicContact CD1-CB 4.09Å; F50-Q64 HydrophobicContact CE1-CB 3.83Å; F50-Q64 HydrophobicContact CZ-CB 4.21Å; F50-Q64 HydrophobicContact CZ-CG 4.47Å; Q64-H66 WeakPolarHBondContact CG-O 3.26Å; Q64-H66 PolarHBondContact NE2-O 3.19Å
65A89.9Confident85Confident2 Ų241.6 Ų41.62%0.01722%0.22CC..  trans-86.2-41.2177.900000111.6G49 A51 F63 T84 K96 W98G49-A65 PolarHBondContact O-N 3.2Å; A51-A65 HydrophobicContact CB-CB 4.22Å; F63-A65 HydrophobicContact CD2-CB 4.45Å; F63-A65 HydrophobicContact CE2-CB 3.76Å; F63-A65 HydrophobicContact CZ-CB 4.3Å; F63-A65 PolarHBondContact O-N 2.72Å; A65-T84 HydrophobicContact CB-CG2 4.25Å; A65-K96 WeakPolarHBondContact O-CD 3.43Å; A65-K96 PolarHBondContact O-NZ 3.42Å; A65-W98 HydrophobicContact CB-CZ2 3.86Å; A65-W98 VanDerWaalsContact O-CZ2 3.31Å; A65-W98 WeakPolarHBondContact O-CZ2 3.46Å
66H90.4Very high85.4Confident1 Ų139.3 Ų39.31%0.00521%0.208CC..SBendtrans-128.8160.5-178.9-69.2-84.4000110.9G49 Q64 S68 T84 G86 D88 S94G49-H66 WeakPolarHBondContact CA-O 3.41Å; G49-H66 PolarHBondContact O-N 3.18Å; Q64-H66 WeakPolarHBondContact CG-O 3.26Å; Q64-H66 PolarHBondContact NE2-O 3.19Å; H66-S68 VanDerWaalsContact C-N 3.27Å; H66-S68 WeakPolarHBondContact CB-O 3.31Å; H66-T84 PolarHBondContact CD2-OG1 3.42Å; H66-T84 WeakPolarHBondContact NE2-CB 3.08Å; H66-T84 PolarHBondContact NE2-OG1 3.13Å; H66-G86 PolarHBondContact CE1-N 2.79Å; H66-G86 VanDerWaalsContact CE1-N 3.29Å; H66-G86 PolarHBondContact NE2-N 3.25Å; H66-D88 IonicContact ND1-OD1 3.44Å; H66-D88 PolarHBondContact ND1-OD1 3.45Å; H66-S94 PolarHBondContact CE1-O 2.92Å; H66-S94 VanDerWaalsContact CE1-O 3.25Å
67D85.9Confident85.6Confident63 Ų6336.7 Ų36.734%0.33720%0.202SC..SBendtrans-75.1-23179.3-67.7-53.5000111.9E87 K89D67-E87 PolarHBondContact N-O 3.28Å; D67-K89 HydrophobicContact CB-CD 4.48Å; D67-K89 HydrophobicContact CB-CG 3.83Å; D67-K89 VanDerWaalsContact CG-CE 3.5Å; D67-K89 WeakPolarHBondContact OD1-CE 3.31Å; D67-K89 IonicContact OD1-NZ 3.44Å; D67-K89 PolarHBondContact OD1-NZ 2.97Å; D67-K89 WeakPolarHBondContact OD2-CD 3.48Å; D67-K89 VanDerWaalsContact OD2-CG 3.24Å; D67-K89 WeakPolarHBondContact OD2-CG 3.47Å; D67-K89 PolarHBondContact OD2-N 2.63Å
68S85.9Confident86.1Confident48 Ų4840.5 Ų40.534%0.33621%0.206SC..SBendtrans-137.1-156.5174.3-167.70000109.4G49 H66 V70 E87G49-S68 WeakPolarHBondContact CA-O 3.45Å; G49-S68 PolarHBondContact N-O 3.33Å; G49-S68 VanDerWaalsContact N-O 3.16Å; H66-S68 VanDerWaalsContact C-N 3.27Å; H66-S68 WeakPolarHBondContact CB-O 3.31Å; S68-V70 PolarHBondContact O-N 3.26Å; S68-E87 PolarHBondContact N-O 3.45Å
69C84.7Confident86.6Confident12 Ų1241.6 Ų41.68%0.08121%0.21CC..  trans-49.7134.8-169.1-179.10000115N33 S47 G86 E87N33-C69 PolarHBondContact ND2-SG 2.85Å; S47-C69 WeakPolarHBondContact O-CA 3.35Å; S47-C69 PolarHBondContact O-N 2.84Å; C69-G86 WeakPolarHBondContact O-CA 3.37Å; C69-E87 PolarHBondContact O-N 3.04Å; C69-E87 VanDerWaalsContact O-N 3.09Å
70V87.3Confident87.3Confident0 Ų039.9 Ų39.90%021%0.205CC..EExtended strand (participates in β ladder)trans-85.7110.5165.9-168.60000108.8N33 C34 D46 S68 M73N33-V70 WeakPolarHBondContact CB-O 3.43Å; C34-V70 PolarHBondContact SG-O 3.24Å; C34-V70 VanDerWaalsContact SG-O 3.39Å; D46-V70 PolarHBondContact O-N 3.22Å; D46-V70 VanDerWaalsContact O-N 3.07Å; S68-V70 PolarHBondContact O-N 3.26Å; V70-M73 HydrophobicContact CG1-CG 3.55Å; V70-M73 HydrophobicContact CG1-SD 4.07Å
71H85.4Confident87.9Confident10 Ų1038.7 Ų38.75%0.04620%0.199CC..EExtended strand (participates in β ladder)trans-80.1-44.3-177.4-69.7-56.3000112.6C34 I85 E87 Y126 S358 Q359C34-H71 WeakPolarHBondContact CB-O 3.44Å; H71-I85 PolarHBondContact N-O 3.33Å; H71-E87 IonicContact CE1-OE1 2.69Å; H71-E87 PolarHBondContact CE1-OE1 3.21Å; H71-E87 WeakPolarHBondContact NE2-CG 3.29Å; H71-E87 IonicContact NE2-OE1 3.71Å; H71-E87 PolarHBondContact NE2-OE1 2.94Å; H71-Y126 AromaticContact CE1-CE1 3.93Å; H71-Y126 AromaticContact NE2-CE1 3.58Å; H71-S358 VanDerWaalsContact ND1-CB 3.32Å; H71-S358 WeakPolarHBondContact ND1-CB 3.23Å; H71-Q359 PolarHBondContact O-OE1 3.41Å
72L88.9Confident88.4Confident21 Ų2137.2 Ų37.211%0.1119%0.189CC..EExtended strand (participates in β ladder)trans-141.3147.4-178.3-74.2165.1000110.2T84 I85 V127L72-T84 WeakPolarHBondContact O-CA 3.44Å; L72-I85 HydrophobicContact CB-CB 4.21Å; L72-I85 HydrophobicContact CB-CD1 4.42Å; L72-I85 HydrophobicContact CD1-CD1 4.27Å; L72-I85 PolarHBondContact N-O 3.17Å; L72-I85 VanDerWaalsContact N-O 3.14Å; L72-I85 PolarHBondContact O-N 3.01Å; L72-V127 HydrophobicContact CD1-CB 4.02Å; L72-V127 HydrophobicContact CD1-CG1 3.61Å; L72-V127 WeakPolarHBondContact CD1-O 3.26Å
73M90.9Very high88.8Confident13 Ų1334.6 Ų34.66%0.06417%0.171CC..EExtended strand (participates in β ladder)trans-136.1145.8170.3-65.1-167.6-55.700110.4T36 W43 A51 V70 L82 I83 T84T36-M73 HydrophobicContact CG2-CB 3.7Å; T36-M73 HydrophobicContact CG2-CE 4.36Å; W43-M73 HydrophobicContact CB-CE 3.81Å; A51-M73 HydrophobicContact CB-SD 3.98Å; V70-M73 HydrophobicContact CG1-CG 3.55Å; V70-M73 HydrophobicContact CG1-SD 4.07Å; M73-L82 HydrophobicContact CB-CD1 4.46Å; M73-I83 CarbonylContact C-O 3.4Å; M73-I83 VanDerWaalsContact CA-O 3.3Å; M73-I83 WeakPolarHBondContact CA-O 3.37Å; M73-T84 HydrophobicContact CG-CG2 3.93Å; M73-T84 HydrophobicContact SD-CG2 4.2Å
74H91.4Very high89Confident51 Ų5134.3 Ų34.324%0.23617%0.17CC..EExtended strand (participates in β ladder)trans-141.8116.3175.2-17078.5000110.1I83 L130 I132H74-I83 PolarHBondContact N-O 3.32Å; H74-I83 PolarHBondContact O-N 3.5Å; H74-L130 HydrophobicContact CB-CD2 3.76Å; H74-I132 HydrophobicContact CB-CD1 4.23Å
75Q91.7Very high89.1Confident3 Ų330 Ų301%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-88.1119.8173.3174.661.561.900108.5T36 L81 L82T36-Q75 HydrophobicContact CG2-CB 3.95Å; T36-Q75 PolarHBondContact OG1-N 2.88Å; T36-Q75 VanDerWaalsContact OG1-N 3.14Å; Q75-L81 PolarHBondContact NE2-O 2.99Å; Q75-L81 VanDerWaalsContact NE2-O 3.12Å; Q75-L82 HydrophobicContact CB-CD1 4.3Å
76M90.1Very high89.2Confident0 Ų029.9 Ų29.90%015%0.149CC..  trans-64.9143.9173.9-65.1-58.9-49.600110.1H79 L81 I83 I132 E134 L136M76-H79 HydrophobicContact CB-CB 4.08Å; M76-H79 WeakPolarHBondContact CB-O 3.47Å; M76-L81 HydrophobicContact CB-CB 4.41Å; M76-L81 HydrophobicContact CG-CB 3.95Å; M76-L81 PolarHBondContact N-O 3.47Å; M76-L81 VanDerWaalsContact N-O 3.08Å; M76-I83 HydrophobicContact CG-CD1 4.42Å; M76-I83 HydrophobicContact SD-CD1 4.18Å; M76-I132 HydrophobicContact CE-CG2 3.89Å; M76-I132 HydrophobicContact SD-CB 4.06Å; M76-I132 HydrophobicContact SD-CD1 4.36Å; M76-I132 HydrophobicContact SD-CG2 3.48Å; M76-I132 WeakPolarHBondContact SD-CG2 3.3Å; M76-E134 HydrophobicContact CE-CG 4.43Å; M76-E134 VanDerWaalsContact CE-OE2 3.28Å; M76-E134 WeakPolarHBondContact CE-OE2 3.27Å; M76-L136 HydrophobicContact CE-CD2 3.89Å; M76-L136 HydrophobicContact CG-CD2 4.33Å; M76-L136 HydrophobicContact SD-CD2 4.13Å
77K85.5Confident89.1Confident135 Ų13531.5 Ų31.559%0.58716%0.156SC*.SBendtrans-84.4-44.5-178.5-61.5179.4-179.9177.90111.1R39 E134R39-K77 WeakPolarHBondContact CG-O 3.28Å; R39-K77 PolarHBondContact NH1-O 3.48Å; K77-E134 WeakPolarHBondContact CB-OE1 3.26Å; K77-E134 PolarHBondContact N-OE1 3.37Å; K77-E134 PolarHBondContact N-OE2 3.37Å
78E84.6Confident89Confident129 Ų12929.9 Ų29.960%0.60315%0.148SC*.SBendtrans-86.6-22.6-177.1-63.7-171.9-18000113.3R39 E134R39-E78 PolarHBondContact NH1-O 3.5Å; E78-E134 HydrophobicContact CG-CB 4.24Å; E78-E134 HydrophobicContact CG-CG 4.32Å; E78-E134 PolarHBondContact N-OE2 3.27Å
79H85.9Confident88.6Confident68 Ų6835.7 Ų35.732%0.31517%0.167SC..SBendtrans-115.9146.7-177.7-63.6-67.7000113.2R39 M76 L81 E134R39-H79 WeakPolarHBondContact CD-O 3.28Å; M76-H79 HydrophobicContact CB-CB 4.08Å; M76-H79 WeakPolarHBondContact CB-O 3.47Å; H79-L81 HydrophobicContact CB-CB 4.45Å; H79-L81 HydrophobicContact CB-CD1 4.21Å; H79-L81 HydrophobicContact CB-CG 4.09Å; H79-L81 PolarHBondContact O-N 3.07Å; H79-E134 PolarHBondContact CD2-O 2.83Å; H79-E134 PolarHBondContact NE2-O 3.43Å
80D89.2Confident88.2Confident62 Ų6239.7 Ų39.733%0.33219%0.191SC..SBendtrans-76.653171.7-73-50000111.8R39 L100 T101R39-D80 IonicContact CZ-OD1 2.8Å; R39-D80 VanDerWaalsContact CZ-OD1 3.23Å; R39-D80 IonicContact CZ-OD2 3.85Å; R39-D80 IonicContact NE-OD1 3.29Å; R39-D80 PolarHBondContact NE-OD1 3.34Å; R39-D80 VanDerWaalsContact NH2-CG 3.27Å; R39-D80 IonicContact NH2-OD1 2.79Å; R39-D80 PolarHBondContact NH2-OD1 3.17Å; R39-D80 VanDerWaalsContact NH2-OD1 3.08Å; R39-D80 IonicContact NH2-OD2 2.83Å; R39-D80 PolarHBondContact NH2-OD2 2.88Å; D80-L100 HydrophobicContact CB-CB 4.35Å; D80-L100 WeakPolarHBondContact O-CB 3.15Å; D80-L100 PolarHBondContact O-N 3.26Å; D80-T101 HydrophobicContact CB-CG2 3.44Å; D80-T101 VanDerWaalsContact CB-CG2 3.44Å; D80-T101 WeakPolarHBondContact OD2-CG2 3.49Å
81L91.9Very high87.6Confident11 Ų1147.5 Ų47.56%0.05823%0.225CC..EExtended strand (participates in β ladder)trans-120.9133.7179.5-62.1178.4000110.4Q75 M76 H79 V97 W98 N99 L136 T156Q75-L81 PolarHBondContact NE2-O 2.99Å; Q75-L81 VanDerWaalsContact NE2-O 3.12Å; M76-L81 HydrophobicContact CB-CB 4.41Å; M76-L81 HydrophobicContact CG-CB 3.95Å; M76-L81 PolarHBondContact N-O 3.47Å; M76-L81 VanDerWaalsContact N-O 3.08Å; H79-L81 HydrophobicContact CB-CB 4.45Å; H79-L81 HydrophobicContact CB-CD1 4.21Å; H79-L81 HydrophobicContact CB-CG 4.09Å; H79-L81 PolarHBondContact O-N 3.07Å; L81-V97 HydrophobicContact CD1-CG1 4.41Å; L81-V97 HydrophobicContact CD2-CG1 4.38Å; L81-W98 VanDerWaalsContact CA-O 3.28Å; L81-W98 WeakPolarHBondContact CA-O 3.49Å; L81-N99 HydrophobicContact CD2-CB 4.03Å; L81-L136 HydrophobicContact CD1-CD1 3.61Å; L81-L136 HydrophobicContact CD1-CD2 4.11Å; L81-T156 HydrophobicContact CD1-CG2 3.68Å
82L92.9Very high87.5Confident0 Ų052.2 Ų52.20%025%0.247CC..EExtended strand (participates in β ladder)trans-111.2130.6168.1177.170.5000108.2T36 W43 A51 F63 M73 Q75 T84 W98 L100T36-L82 HydrophobicContact CG2-CD1 4.03Å; W43-L82 HydrophobicContact CD2-CD1 4.31Å; W43-L82 HydrophobicContact CD2-CD2 3.87Å; W43-L82 HydrophobicContact CE3-CD2 3.74Å; W43-L82 HydrophobicContact CG-CD1 4.24Å; W43-L82 HydrophobicContact CH2-CD2 3.9Å; W43-L82 HydrophobicContact CZ2-CD2 4.01Å; W43-L82 HydrophobicContact CZ3-CD2 3.76Å; A51-L82 HydrophobicContact CB-CD2 4.46Å; F63-L82 HydrophobicContact CE1-CD2 4.32Å; F63-L82 HydrophobicContact CZ-CD2 4.2Å; M73-L82 HydrophobicContact CB-CD1 4.46Å; Q75-L82 HydrophobicContact CB-CD1 4.3Å; L82-T84 HydrophobicContact CD2-CG2 3.98Å; L82-T84 HydrophobicContact CG-CG2 3.97Å; L82-W98 HydrophobicContact CB-CB 4.29Å; L82-W98 PolarHBondContact N-O 3.36Å; L82-W98 WeakPolarHBondContact O-CB 3.49Å; L82-W98 VanDerWaalsContact O-CD1 3.28Å; L82-W98 PolarHBondContact O-N 3.08Å; L82-L100 HydrophobicContact CB-CD1 4.07Å; L82-L100 HydrophobicContact CB-CD2 4.08Å; L82-L100 HydrophobicContact CB-CG 4.22Å
83I93.1Very high87.4Confident0 Ų051.2 Ų51.20%024%0.242CC..EExtended strand (participates in β ladder)trans-110.8125177.2-64.9162.7000107.6M73 H74 M76 L95 K96 V97 L130 I132 I155M73-I83 CarbonylContact C-O 3.4Å; M73-I83 VanDerWaalsContact CA-O 3.3Å; M73-I83 WeakPolarHBondContact CA-O 3.37Å; H74-I83 PolarHBondContact N-O 3.32Å; H74-I83 PolarHBondContact O-N 3.5Å; M76-I83 HydrophobicContact CG-CD1 4.42Å; M76-I83 HydrophobicContact SD-CD1 4.18Å; I83-L95 HydrophobicContact CG2-CD1 4.06Å; I83-L95 HydrophobicContact CG2-CD2 4.08Å; I83-L95 HydrophobicContact CG2-CG 3.93Å; I83-K96 WeakPolarHBondContact CA-O 3.27Å; I83-V97 HydrophobicContact CG1-CB 4.48Å; I83-V97 HydrophobicContact CG1-CG1 4.11Å; I83-V97 HydrophobicContact CG1-CG2 4.2Å; I83-L130 HydrophobicContact CG2-CD2 4.15Å; I83-I132 HydrophobicContact CB-CD1 4.33Å; I83-I132 HydrophobicContact CD1-CD1 3.35Å; I83-I132 HydrophobicContact CD1-CG1 4.33Å; I83-I132 HydrophobicContact CG1-CD1 4.4Å; I83-I132 HydrophobicContact CG2-CD1 4.37Å; I83-I155 HydrophobicContact CD1-CG2 4.28Å
84T93.9Very high87.4Confident0 Ų050.9 Ų50.90%024%0.241CC..EExtended strand (participates in β ladder)trans-120.9143.2179.7670000109.9A65 H66 L72 M73 L82 L95 K96 W98A65-T84 HydrophobicContact CB-CG2 4.25Å; H66-T84 PolarHBondContact CD2-OG1 3.42Å; H66-T84 WeakPolarHBondContact NE2-CB 3.08Å; H66-T84 PolarHBondContact NE2-OG1 3.13Å; L72-T84 WeakPolarHBondContact O-CA 3.44Å; M73-T84 HydrophobicContact CG-CG2 3.93Å; M73-T84 HydrophobicContact SD-CG2 4.2Å; L82-T84 HydrophobicContact CD2-CG2 3.98Å; L82-T84 HydrophobicContact CG-CG2 3.97Å; T84-L95 CarbonylContact O-C 3.58Å; T84-L95 WeakPolarHBondContact O-CA 3.4Å; T84-K96 PolarHBondContact N-O 2.85Å; T84-K96 PolarHBondContact O-N 3.28Å; T84-W98 PolarHBondContact OG1-NE1 3.08Å
85I92.5Very high87.4Confident1 Ų148.6 Ų48.61%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-122.2128.2171.3-56.6177.7000107H71 L72 I93 S94 L95 V117 V127 L130 L141H71-I85 PolarHBondContact N-O 3.33Å; L72-I85 HydrophobicContact CB-CB 4.21Å; L72-I85 HydrophobicContact CB-CD1 4.42Å; L72-I85 HydrophobicContact CD1-CD1 4.27Å; L72-I85 PolarHBondContact N-O 3.17Å; L72-I85 VanDerWaalsContact N-O 3.14Å; L72-I85 PolarHBondContact O-N 3.01Å; I85-I93 HydrophobicContact CG2-CG2 3.5Å; I85-I93 VanDerWaalsContact CG2-CG2 3.5Å; I85-S94 WeakPolarHBondContact CA-O 3.5Å; I85-L95 HydrophobicContact CD1-CD1 4.06Å; I85-L95 HydrophobicContact CG1-CB 4.19Å; I85-L95 HydrophobicContact CG1-CD1 4.05Å; I85-L95 HydrophobicContact CG1-CG 4.14Å; I85-V117 HydrophobicContact CG2-CG1 4.18Å; I85-V127 HydrophobicContact CD1-CB 4.18Å; I85-V127 HydrophobicContact CD1-CG1 3.88Å; I85-V127 HydrophobicContact CD1-CG2 4.31Å; I85-V127 HydrophobicContact CG2-CB 4.49Å; I85-V127 HydrophobicContact CG2-CG2 4.4Å; I85-L130 HydrophobicContact CD1-CD2 4.28Å; I85-L141 HydrophobicContact CD1-CD2 4.24Å
86G90.9Very high87.4Confident0 Ų049.6 Ų49.60%024%0.235CC..EExtended strand (participates in β ladder)trans-165.1-180-176.200000112.4H66 C69 I93 S94H66-G86 PolarHBondContact CE1-N 2.79Å; H66-G86 VanDerWaalsContact CE1-N 3.29Å; H66-G86 PolarHBondContact NE2-N 3.25Å; C69-G86 WeakPolarHBondContact O-CA 3.37Å; G86-I93 WeakPolarHBondContact O-CA 3.44Å; G86-S94 PolarHBondContact N-O 2.95Å; G86-S94 VanDerWaalsContact N-O 3.15Å; G86-S94 PolarHBondContact O-N 3.31Å
87E88Confident87.6Confident35 Ų3549.6 Ų49.616%0.16424%0.235CC..EExtended strand (participates in β ladder)trans-92.4127.6-178.8-76.2173.7-155.700111.6D67 S68 C69 H71 I93 Y126D67-E87 PolarHBondContact N-O 3.28Å; S68-E87 PolarHBondContact N-O 3.45Å; C69-E87 PolarHBondContact O-N 3.04Å; C69-E87 VanDerWaalsContact O-N 3.09Å; H71-E87 IonicContact CE1-OE1 2.69Å; H71-E87 PolarHBondContact CE1-OE1 3.21Å; H71-E87 WeakPolarHBondContact NE2-CG 3.29Å; H71-E87 IonicContact NE2-OE1 3.71Å; H71-E87 PolarHBondContact NE2-OE1 2.94Å; E87-I93 HydrophobicContact CG-CG1 4.33Å; E87-Y126 WeakPolarHBondContact OE1-CE1 3.19Å; E87-Y126 PolarHBondContact OE1-OH 3.42Å
88D84Confident87.9Confident28 Ų2844.1 Ų44.115%0.1521%0.21CC..  trans-94.6170171.2-69.8-24.2000110.9H66 T90 K91 E92 S94 K96H66-D88 IonicContact ND1-OD1 3.44Å; H66-D88 PolarHBondContact ND1-OD1 3.45Å; D88-T90 PolarHBondContact O-N 3.31Å; D88-K91 WeakPolarHBondContact O-CA 3.3Å; D88-K91 PolarHBondContact O-N 3.08Å; D88-E92 PolarHBondContact N-O 2.9Å; D88-E92 VanDerWaalsContact N-O 3.08Å; D88-S94 PolarHBondContact OD1-OG 2.95Å; D88-S94 WeakPolarHBondContact OD2-CB 3.34Å; D88-S94 PolarHBondContact OD2-OG 2.92Å; D88-K96 WeakPolarHBondContact OD1-CE 3.26Å; D88-K96 IonicContact OD1-NZ 3.86Å; D88-K96 PolarHBondContact OD1-NZ 3Å; D88-K96 IonicContact OD2-NZ 2.85Å
89K78.4Confident88.2Confident170 Ų17039.3 Ų39.374%0.73919%0.189SC*.THydrogen-bonded Turntrans-49.4-29.7-179.2-83.1157.8-170.2166.70115.4D67 K91D67-K89 HydrophobicContact CB-CD 4.48Å; D67-K89 HydrophobicContact CB-CG 3.83Å; D67-K89 VanDerWaalsContact CG-CE 3.5Å; D67-K89 WeakPolarHBondContact OD1-CE 3.31Å; D67-K89 IonicContact OD1-NZ 3.44Å; D67-K89 PolarHBondContact OD1-NZ 2.97Å; D67-K89 WeakPolarHBondContact OD2-CD 3.48Å; D67-K89 VanDerWaalsContact OD2-CG 3.24Å; D67-K89 WeakPolarHBondContact OD2-CG 3.47Å; D67-K89 PolarHBondContact OD2-N 2.63Å; K89-K91 PolarHBondContact O-N 3.37Å
90T74.9Confident88.3Confident96 Ų9636.9 Ų36.959%0.58918%0.178SC*.THydrogen-bonded Turntrans-75-1.5178.1510000113.3D88 E92D88-T90 PolarHBondContact O-N 3.31Å; T90-E92 PolarHBondContact O-N 3.34Å; T90-E92 WeakPolarHBondContact OG1-CB 3.39Å; T90-E92 WeakPolarHBondContact OG1-CG 3.47Å; T90-E92 PolarHBondContact OG1-N 3.44Å
91K74.9Confident88.3Confident165 Ų16538 Ų3872%0.71719%0.187SC*.SBendtrans58.415.6-165.7-58-173.1174.2-172.70113.4D88 K89D88-K91 WeakPolarHBondContact O-CA 3.3Å; D88-K91 PolarHBondContact O-N 3.08Å; K89-K91 PolarHBondContact O-N 3.37Å
92E83.6Confident87.9Confident108 Ų10843.6 Ų43.651%0.50521%0.211SC..  trans-79.4143.1167.6-65.6-177.6154.600109.2D88 T90D88-E92 PolarHBondContact N-O 2.9Å; D88-E92 VanDerWaalsContact N-O 3.08Å; T90-E92 PolarHBondContact O-N 3.34Å; T90-E92 WeakPolarHBondContact OG1-CB 3.39Å; T90-E92 WeakPolarHBondContact OG1-CG 3.47Å; T90-E92 PolarHBondContact OG1-N 3.44Å
93I88Confident87.4Confident1 Ų147.5 Ų47.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-89.1117.9174.9-56.1166.9000107.1I85 G86 E87 V117 L124 Y126I85-I93 HydrophobicContact CG2-CG2 3.5Å; I85-I93 VanDerWaalsContact CG2-CG2 3.5Å; G86-I93 WeakPolarHBondContact O-CA 3.44Å; E87-I93 HydrophobicContact CG-CG1 4.33Å; I93-V117 HydrophobicContact CB-CG2 3.68Å; I93-V117 HydrophobicContact CG2-CG2 3.48Å; I93-V117 VanDerWaalsContact CG2-CG2 3.48Å; I93-V117 WeakPolarHBondContact O-CG2 3.47Å; I93-V117 PolarHBondContact O-N 3.03Å; I93-V117 VanDerWaalsContact O-N 3.16Å; I93-L124 HydrophobicContact CD1-CD1 4.29Å; I93-L124 HydrophobicContact CD1-CD2 4.21Å; I93-L124 HydrophobicContact CD1-CG 4.12Å; I93-L124 HydrophobicContact CG1-CD1 4.22Å; I93-L124 HydrophobicContact CG1-CD2 4.48Å; I93-Y126 HydrophobicContact CD1-CD1 3.36Å; I93-Y126 HydrophobicContact CD1-CE1 3.56Å; I93-Y126 HydrophobicContact CD1-CG 3.9Å; I93-Y126 HydrophobicContact CG1-CD1 4.42Å; I93-Y126 HydrophobicContact CG1-CE1 4.29Å
94S89.9Confident86.8Confident6 Ų650.4 Ų50.44%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-114.114617972.50000110.9H66 I85 G86 D88 K96H66-S94 PolarHBondContact CE1-O 2.92Å; H66-S94 VanDerWaalsContact CE1-O 3.25Å; I85-S94 WeakPolarHBondContact CA-O 3.5Å; G86-S94 PolarHBondContact N-O 2.95Å; G86-S94 VanDerWaalsContact N-O 3.15Å; G86-S94 PolarHBondContact O-N 3.31Å; D88-S94 PolarHBondContact OD1-OG 2.95Å; D88-S94 WeakPolarHBondContact OD2-CB 3.34Å; D88-S94 PolarHBondContact OD2-OG 2.92Å; S94-K96 WeakPolarHBondContact OG-CE 3.49Å
95L92Very high85.8Confident2 Ų258.8 Ų58.81%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-98.8126168-180151.2000108.1I83 T84 I85 V97 V114 T115 V117 M139 L141I83-L95 HydrophobicContact CG2-CD1 4.06Å; I83-L95 HydrophobicContact CG2-CD2 4.08Å; I83-L95 HydrophobicContact CG2-CG 3.93Å; T84-L95 CarbonylContact O-C 3.58Å; T84-L95 WeakPolarHBondContact O-CA 3.4Å; I85-L95 HydrophobicContact CD1-CD1 4.06Å; I85-L95 HydrophobicContact CG1-CB 4.19Å; I85-L95 HydrophobicContact CG1-CD1 4.05Å; I85-L95 HydrophobicContact CG1-CG 4.14Å; L95-V97 HydrophobicContact CD2-CG2 3.82Å; L95-V114 CarbonylContact O-C 3.59Å; L95-V114 WeakPolarHBondContact O-CA 3.11Å; L95-T115 PolarHBondContact N-O 3.02Å; L95-T115 PolarHBondContact O-N 3.21Å; L95-V117 HydrophobicContact CB-CG1 3.62Å; L95-M139 HydrophobicContact CD1-CE 3.69Å; L95-M139 HydrophobicContact CD1-SD 3.54Å; L95-M139 VanDerWaalsContact CD1-SD 3.54Å; L95-M139 HydrophobicContact CD2-CE 4.4Å; L95-M139 HydrophobicContact CD2-SD 4.4Å; L95-L141 HydrophobicContact CD1-CD2 4.23Å
96K92.3Very high84.9Confident25 Ų2567.1 Ų67.111%0.10933%0.325CS..EExtended strand (participates in β ladder)trans-118.6135178.7-63.4-177.3-173.11660110.3A65 I83 T84 D88 S94 W98 R113 V114A65-K96 WeakPolarHBondContact O-CD 3.43Å; A65-K96 PolarHBondContact O-NZ 3.42Å; I83-K96 WeakPolarHBondContact CA-O 3.27Å; T84-K96 PolarHBondContact N-O 2.85Å; T84-K96 PolarHBondContact O-N 3.28Å; D88-K96 WeakPolarHBondContact OD1-CE 3.26Å; D88-K96 IonicContact OD1-NZ 3.86Å; D88-K96 PolarHBondContact OD1-NZ 3Å; D88-K96 IonicContact OD2-NZ 2.85Å; S94-K96 WeakPolarHBondContact OG-CE 3.49Å; K96-W98 HydrophobicContact CB-CZ2 3.91Å; K96-W98 HydrophobicContact CD-CH2 4.27Å; K96-W98 HydrophobicContact CD-CZ2 3.58Å; K96-W98 HydrophobicContact CG-CZ2 4.38Å; K96-R113 VanDerWaalsContact CA-O 3.29Å; K96-R113 WeakPolarHBondContact CA-O 3.36Å; K96-V114 HydrophobicContact CD-CG2 4.5Å; K96-V114 HydrophobicContact CG-CB 4.49Å; K96-V114 HydrophobicContact CG-CG1 4.13Å; K96-V114 HydrophobicContact CG-CG2 4.12Å
97V93Very high84.3Confident0 Ų073.1 Ų73.10%035%0.354CS..EExtended strand (participates in β ladder)trans-108.8115.8177-173.10000108.6L81 I83 L95 C111 C112 R113 I155L81-V97 HydrophobicContact CD1-CG1 4.41Å; L81-V97 HydrophobicContact CD2-CG1 4.38Å; I83-V97 HydrophobicContact CG1-CB 4.48Å; I83-V97 HydrophobicContact CG1-CG1 4.11Å; I83-V97 HydrophobicContact CG1-CG2 4.2Å; L95-V97 HydrophobicContact CD2-CG2 3.82Å; V97-C111 CarbonylContact O-C 3.59Å; V97-C111 WeakPolarHBondContact O-CA 3.43Å; V97-C112 PolarHBondContact O-N 3.49Å; V97-R113 HydrophobicContact CB-CB 4.04Å; V97-R113 HydrophobicContact CG2-CB 3.91Å; V97-R113 HydrophobicContact CG2-CG 4.34Å; V97-R113 PolarHBondContact N-O 2.81Å; V97-I155 HydrophobicContact CG2-CG2 4.24Å
98W92.7Very high84.1Confident19 Ų1973.6 Ų73.67%0.07236%0.359CS..EExtended strand (participates in β ladder)trans-105127-175.7-54.593.4000110.5F63 A65 L81 L82 T84 K96 P109 C111F63-W98 AromaticContact CE2-CD2 3.81Å; F63-W98 HydrophobicContact CE2-CD2 3.81Å; F63-W98 AromaticContact CE2-CE2 3.87Å; F63-W98 AromaticContact CE2-CE3 3.87Å; F63-W98 HydrophobicContact CE2-CE3 3.87Å; F63-W98 HydrophobicContact CE2-CG 4.41Å; F63-W98 HydrophobicContact CE2-CH2 4.05Å; F63-W98 HydrophobicContact CE2-CZ2 4.02Å; F63-W98 AromaticContact CE2-CZ3 3.97Å; F63-W98 HydrophobicContact CE2-CZ3 3.97Å; F63-W98 HydrophobicContact CZ-CD2 4.02Å; F63-W98 HydrophobicContact CZ-CE3 4.36Å; F63-W98 HydrophobicContact CZ-CG 4.15Å; A65-W98 HydrophobicContact CB-CZ2 3.86Å; A65-W98 VanDerWaalsContact O-CZ2 3.31Å; A65-W98 WeakPolarHBondContact O-CZ2 3.46Å; L81-W98 VanDerWaalsContact CA-O 3.28Å; L81-W98 WeakPolarHBondContact CA-O 3.49Å; L82-W98 HydrophobicContact CB-CB 4.29Å; L82-W98 PolarHBondContact N-O 3.36Å; L82-W98 WeakPolarHBondContact O-CB 3.49Å; L82-W98 VanDerWaalsContact O-CD1 3.28Å; L82-W98 PolarHBondContact O-N 3.08Å; T84-W98 PolarHBondContact OG1-NE1 3.08Å; K96-W98 HydrophobicContact CB-CZ2 3.91Å; K96-W98 HydrophobicContact CD-CH2 4.27Å; K96-W98 HydrophobicContact CD-CZ2 3.58Å; K96-W98 HydrophobicContact CG-CZ2 4.38Å; W98-P109 HydrophobicContact CB-CB 4.35Å; W98-P109 HydrophobicContact CB-CG 4.17Å; W98-P109 HydrophobicContact CD2-CG 4.35Å; W98-P109 HydrophobicContact CE3-CG 3.89Å; W98-P109 HydrophobicContact CG-CG 4.5Å; W98-C111 HydrophobicContact CD2-CB 4.43Å; W98-C111 HydrophobicContact CE3-CB 3.74Å; W98-C111 HydrophobicContact CH2-CB 4.17Å; W98-C111 HydrophobicContact CZ3-CB 3.62Å
99N90.9Very high84.3Confident28 Ų2872.4 Ų72.415%0.1535%0.353CS..EExtended strand (participates in β ladder)trans-90.2112.8172.2-175.9-29.4000110.3L81 T101 K102 P109 F110 C112L81-N99 HydrophobicContact CD2-CB 4.03Å; N99-T101 VanDerWaalsContact C-N 3.32Å; N99-T101 WeakPolarHBondContact OD1-CB 3.35Å; N99-T101 PolarHBondContact OD1-N 3.4Å; N99-T101 PolarHBondContact OD1-OG1 3.04Å; N99-K102 PolarHBondContact O-N 3.23Å; N99-K102 PolarHBondContact OD1-N 3.29Å; N99-P109 WeakPolarHBondContact O-CB 3.48Å; N99-F110 PolarHBondContact N-O 2.89Å; N99-F110 PolarHBondContact O-N 3.45Å; N99-C112 VanDerWaalsContact CB-SG 3.56Å
100L88.6Confident84.9Confident17 Ų1769.2 Ų69.29%0.08934%0.34CS..EExtended strand (participates in β ladder)trans-82.9-6.6-175.4-57178.1000113.5W43 D80 L82 W103 P109W43-L100 HydrophobicContact CH2-CD2 3.85Å; W43-L100 HydrophobicContact CZ2-CD1 3.76Å; W43-L100 HydrophobicContact CZ2-CD2 3.7Å; W43-L100 HydrophobicContact CZ2-CG 4.39Å; D80-L100 HydrophobicContact CB-CB 4.35Å; D80-L100 WeakPolarHBondContact O-CB 3.15Å; D80-L100 PolarHBondContact O-N 3.26Å; L82-L100 HydrophobicContact CB-CD1 4.07Å; L82-L100 HydrophobicContact CB-CD2 4.08Å; L82-L100 HydrophobicContact CB-CG 4.22Å; L100-W103 VanDerWaalsContact O-CD1 3.24Å; L100-W103 PolarHBondContact O-NE1 3.05Å; L100-P109 HydrophobicContact CD2-CB 4.08Å; L100-P109 HydrophobicContact CD2-CG 4.27Å
101T87.3Confident85.6Confident85 Ų8566.5 Ų66.552%0.52132%0.324SS..EExtended strand (participates in β ladder)trans-80.8-29170.866.50000111.9D80 N99D80-T101 HydrophobicContact CB-CG2 3.44Å; D80-T101 VanDerWaalsContact CB-CG2 3.44Å; D80-T101 WeakPolarHBondContact OD2-CG2 3.49Å; N99-T101 VanDerWaalsContact C-N 3.32Å; N99-T101 WeakPolarHBondContact OD1-CB 3.35Å; N99-T101 PolarHBondContact OD1-N 3.4Å; N99-T101 PolarHBondContact OD1-OG1 3.04Å
102K85Confident86.2Confident130 Ų13060.8 Ų60.857%0.56530%0.304SS*.EExtended strand (participates in β ladder)trans-108.993.6-174.4-68.1-177.4-177.3-1790109.9N99 F110N99-K102 PolarHBondContact O-N 3.23Å; N99-K102 PolarHBondContact OD1-N 3.29Å; K102-F110 HydrophobicContact CB-CB 3.86Å; K102-F110 WeakPolarHBondContact O-CB 3.25Å; K102-F110 PolarHBondContact O-N 3.13Å
103W82.1Confident86.4Confident82 Ų8256.1 Ų56.131%0.31128%0.282SS..EExtended strand (participates in β ladder)trans-91139172.2-6773000110.2L100 M107L100-W103 VanDerWaalsContact O-CD1 3.24Å; L100-W103 PolarHBondContact O-NE1 3.05Å; W103-M107 VanDerWaalsContact CZ3-O 3.27Å; W103-M107 WeakPolarHBondContact CZ3-O 3.36Å
104T79.7Confident86.5Confident60 Ų6059.6 Ų59.637%0.36830%0.303SS..  trans-82.8165.8171.173.20000110.6K106 M107 T108T104-K106 PolarHBondContact O-N 3.45Å; T104-K106 PolarHBondContact OG1-N 2.89Å; T104-M107 PolarHBondContact O-N 2.88Å; T104-T108 PolarHBondContact N-O 2.83Å; T104-T108 PolarHBondContact OG1-O 3.3Å; T104-T108 VanDerWaalsContact OG1-O 3.1Å; T104-T108 PolarHBondContact OG1-OG1 3.42Å
105N73.2Confident86.4Confident176 Ų17659.9 Ų59.994%0.94130%0.304SS*.THydrogen-bonded Turntrans-56.9-16.5176.7-63.71.5000114M107N105-M107 VanDerWaalsContact C-N 3.3Å
106K72.9Confident86.2Confident177 Ų17761.9 Ų61.977%0.7732%0.319SS*.THydrogen-bonded Turntrans-89.314.7177.1-65.6-174.2177.9-177.90113.5T104 T108T104-K106 PolarHBondContact O-N 3.45Å; T104-K106 PolarHBondContact OG1-N 2.89Å; K106-T108 PolarHBondContact O-N 2.99Å
107M78.5Confident85.9Confident125 Ų12560.8 Ų60.862%0.61631%0.314SS*.SBendtrans52.636.4-172.2-58.2-174.572.900112.5T61 W103 T104 N105T61-M107 HydrophobicContact CG2-CE 4.44Å; W103-M107 VanDerWaalsContact CZ3-O 3.27Å; W103-M107 WeakPolarHBondContact CZ3-O 3.36Å; T104-M107 PolarHBondContact O-N 2.88Å; N105-M107 VanDerWaalsContact C-N 3.3Å
108T84Confident85.5Confident45 Ų4561.7 Ų61.728%0.27632%0.32SS..  trans-115.2131.5173.249.70000108.4F63 T104 K106F63-T108 HydrophobicContact CB-CG2 4.12Å; T104-T108 PolarHBondContact N-O 2.83Å; T104-T108 PolarHBondContact OG1-O 3.3Å; T104-T108 VanDerWaalsContact OG1-O 3.1Å; T104-T108 PolarHBondContact OG1-OG1 3.42Å; K106-T108 PolarHBondContact O-N 2.99Å
109P89.4Confident84.9Confident3 Ų361.2 Ų61.22%0.01932%0.319CS..EExtended strand (participates in β ladder)trans-66.8153.5176.226.3-30.7000111F63 W98 N99 L100 C111F63-P109 HydrophobicContact CD1-CG 3.89Å; F63-P109 HydrophobicContact CD2-CG 4.07Å; F63-P109 HydrophobicContact CE1-CG 3.51Å; F63-P109 HydrophobicContact CE2-CG 3.72Å; F63-P109 HydrophobicContact CG-CG 4.15Å; F63-P109 HydrophobicContact CZ-CG 3.44Å; F63-P109 VanDerWaalsContact CZ-CG 3.44Å; W98-P109 HydrophobicContact CB-CB 4.35Å; W98-P109 HydrophobicContact CB-CG 4.17Å; W98-P109 HydrophobicContact CD2-CG 4.35Å; W98-P109 HydrophobicContact CE3-CG 3.89Å; W98-P109 HydrophobicContact CG-CG 4.5Å; N99-P109 WeakPolarHBondContact O-CB 3.48Å; L100-P109 HydrophobicContact CD2-CB 4.08Å; L100-P109 HydrophobicContact CD2-CG 4.27Å; P109-C111 PolarHBondContact O-N 3.38Å
110F89.5Confident84.2Confident104 Ų10464.2 Ų64.246%0.45634%0.342SS..EExtended strand (participates in β ladder)trans-70.4119.5-179.8177.6-101.8000110.5N99 K102 C112N99-F110 PolarHBondContact N-O 2.89Å; N99-F110 PolarHBondContact O-N 3.45Å; K102-F110 HydrophobicContact CB-CB 3.86Å; K102-F110 WeakPolarHBondContact O-CB 3.25Å; K102-F110 PolarHBondContact O-N 3.13Å; F110-C112 VanDerWaalsContact CD1-SG 3.55Å; F110-C112 HydrophobicContact CE1-CB 4.37Å; F110-C112 PolarHBondContact O-N 3.48Å
111C89.3Confident83.5Confident39 Ų3967.6 Ų67.626%0.26438%0.381SS..EExtended strand (participates in β ladder)trans-80.5106.1175.4-165.40000110V97 W98 P109 R113V97-C111 CarbonylContact O-C 3.59Å; V97-C111 WeakPolarHBondContact O-CA 3.43Å; W98-C111 HydrophobicContact CD2-CB 4.43Å; W98-C111 HydrophobicContact CE3-CB 3.74Å; W98-C111 HydrophobicContact CH2-CB 4.17Å; W98-C111 HydrophobicContact CZ3-CB 3.62Å; P109-C111 PolarHBondContact O-N 3.38Å; C111-R113 PolarHBondContact SG-O 3.27Å; C111-R113 VanDerWaalsContact SG-O 3.41Å
112C87.9Confident83.2Confident44 Ų4466.8 Ų66.830%0.29737%0.373SS..EExtended strand (participates in β ladder)trans-75.5-29.4-178.7-65.20000113V97 N99 F110V97-C112 PolarHBondContact O-N 3.49Å; N99-C112 VanDerWaalsContact CB-SG 3.56Å; F110-C112 VanDerWaalsContact CD1-SG 3.55Å; F110-C112 HydrophobicContact CE1-CB 4.37Å; F110-C112 PolarHBondContact O-N 3.48Å
113R87.5Confident82.8Confident10 Ų1065.1 Ų65.14%0.03838%0.376CS..EExtended strand (participates in β ladder)trans-152.2140.6-171.8176.6177.7-179.31660.8110.9K96 V97 C111 T115 I155 E158 C161K96-R113 VanDerWaalsContact CA-O 3.29Å; K96-R113 WeakPolarHBondContact CA-O 3.36Å; V97-R113 HydrophobicContact CB-CB 4.04Å; V97-R113 HydrophobicContact CG2-CB 3.91Å; V97-R113 HydrophobicContact CG2-CG 4.34Å; V97-R113 PolarHBondContact N-O 2.81Å; C111-R113 PolarHBondContact SG-O 3.27Å; C111-R113 VanDerWaalsContact SG-O 3.41Å; R113-T115 PolarHBondContact NE-OG1 3.13Å; R113-T115 PolarHBondContact NH2-OG1 3.19Å; R113-I155 WeakPolarHBondContact CD-O 3.49Å; R113-I155 PolarHBondContact NH1-O 3.35Å; R113-E158 HydrophobicContact CG-CB 4.38Å; R113-C161 PolarHBondContact NH1-SG 2.7Å; R113-C161 VanDerWaalsContact NH1-SG 3.39Å; R113-C161 PolarHBondContact NH2-SG 3.18Å
114V89.8Confident82.3Confident75 Ų7565.3 Ų65.346%0.45538%0.383SS..EExtended strand (participates in β ladder)trans-130.4122167.8-174.40000107.1L95 K96L95-V114 CarbonylContact O-C 3.59Å; L95-V114 WeakPolarHBondContact O-CA 3.11Å; K96-V114 HydrophobicContact CD-CG2 4.5Å; K96-V114 HydrophobicContact CG-CB 4.49Å; K96-V114 HydrophobicContact CG-CG1 4.13Å; K96-V114 HydrophobicContact CG-CG2 4.12Å
115T89Confident82.3Confident11 Ų1162.7 Ų62.77%0.06737%0.367CS..EExtended strand (participates in β ladder)trans-137.6134.7-179.5-66.10000109.7L95 R113 V117 F151 E158L95-T115 PolarHBondContact N-O 3.02Å; L95-T115 PolarHBondContact O-N 3.21Å; R113-T115 PolarHBondContact NE-OG1 3.13Å; R113-T115 PolarHBondContact NH2-OG1 3.19Å; T115-V117 PolarHBondContact O-N 3.24Å; T115-F151 HydrophobicContact CG2-CE1 4.17Å; T115-E158 PolarHBondContact OG1-OE1 3.3Å
116S87.6Confident82.8Confident45 Ų4558.1 Ų58.132%0.31534%0.337SS..EExtended strand (participates in β ladder)trans-66.6130.7171.91790000110.5T118S116-T118 VanDerWaalsContact C-N 3.34Å
117V86.6Confident83.5Confident1 Ų150 Ų501%0.00630%0.302CS..  trans-78.1-22.2179.7-580000112.3I85 I93 L95 T115 P119 V127 L141 Q149I85-V117 HydrophobicContact CG2-CG1 4.18Å; I93-V117 HydrophobicContact CB-CG2 3.68Å; I93-V117 HydrophobicContact CG2-CG2 3.48Å; I93-V117 VanDerWaalsContact CG2-CG2 3.48Å; I93-V117 WeakPolarHBondContact O-CG2 3.47Å; I93-V117 PolarHBondContact O-N 3.03Å; I93-V117 VanDerWaalsContact O-N 3.16Å; L95-V117 HydrophobicContact CB-CG1 3.62Å; T115-V117 PolarHBondContact O-N 3.24Å; V117-P119 WeakPolarHBondContact O-CD 3.48Å; V117-V127 HydrophobicContact CB-CG2 3.9Å; V117-V127 HydrophobicContact CG1-CG2 4.22Å; V117-V127 HydrophobicContact CG2-CG2 3.74Å; V117-L141 HydrophobicContact CB-CD1 3.97Å; V117-L141 HydrophobicContact CG1-CD1 3.98Å; V117-Q149 PolarHBondContact O-OE1 2.89Å
118T83.9Confident84Confident20 Ų2045.9 Ų45.912%0.12328%0.284CS..SBendtrans-66.7125-175.4-49.60000110.3S116 S120S116-T118 VanDerWaalsContact C-N 3.34Å; T118-S120 PolarHBondContact O-N 3.04Å
119P80.2Confident84.3Confident8 Ų844.5 Ų44.55%0.05228%0.276CS..PPolyproline II helixtrans-58.6138.8173.7-22.332.9000110.8V117 G121 L122 I147 I165V117-P119 WeakPolarHBondContact O-CD 3.48Å; P119-G121 PolarHBondContact O-N 3.44Å; P119-L122 HydrophobicContact CB-CB 4.36Å; P119-L122 HydrophobicContact CB-CD1 3.76Å; P119-L122 HydrophobicContact CG-CD1 4.28Å; P119-L122 PolarHBondContact O-N 2.9Å; P119-I147 HydrophobicContact CG-CG2 4.44Å; P119-I165 HydrophobicContact CB-CD1 4.47Å
120S75.7Confident84.4Confident91 Ų9145.5 Ų45.564%0.63628%0.281SS*.THydrogen-bonded Turntrans-63130.8-177.7-94.30000112.7T118 L122 R163T118-S120 PolarHBondContact O-N 3.04Å; S120-L122 VanDerWaalsContact C-N 3.32Å; S120-R163 VanDerWaalsContact CB-NH2 3.32Å; S120-R163 PolarHBondContact OG-NH2 3.17Å
121G74.9Confident84.5Confident88 Ų8841 Ų4191%0.90726%0.263SS*.THydrogen-bonded Turntrans86.1-1.3178.400000114.5P119P119-G121 PolarHBondContact O-N 3.44Å
122L79.5Confident84.7Confident68 Ų6840 Ų4036%0.35626%0.255SS..SBendtrans-106.9154.2177.5-75.8163.7000111.1P119 S120 I147 I165P119-L122 HydrophobicContact CB-CB 4.36Å; P119-L122 HydrophobicContact CB-CD1 3.76Å; P119-L122 HydrophobicContact CG-CD1 4.28Å; P119-L122 PolarHBondContact O-N 2.9Å; S120-L122 VanDerWaalsContact C-N 3.32Å; L122-I147 HydrophobicContact CD1-CD1 3.52Å; L122-I165 HydrophobicContact CD1-CD1 3.9Å
123P77.2Confident84.8Confident96 Ų9638.7 Ų38.762%0.62325%0.245SC*.  trans-63.6158.6176.128.1-34.9000111.3A125P123-A125 PolarHBondContact O-N 3.22Å; P123-A125 VanDerWaalsContact O-N 3.16Å
124L72Confident84.7Confident86 Ų8640.3 Ų40.345%0.4525%0.253SS..  trans-53.2121.5175-167.488.7000109.6I93I93-L124 HydrophobicContact CD1-CD1 4.29Å; I93-L124 HydrophobicContact CD1-CD2 4.21Å; I93-L124 HydrophobicContact CD1-CG 4.12Å; I93-L124 HydrophobicContact CG1-CD1 4.22Å; I93-L124 HydrophobicContact CG1-CD2 4.48Å
125A78.9Confident84.5Confident4 Ų438.4 Ų38.43%0.03325%0.249CC..  trans-127.3134.5176.500000109.1P123 H143P123-A125 PolarHBondContact O-N 3.22Å; P123-A125 VanDerWaalsContact O-N 3.16Å; A125-H143 HydrophobicContact CB-CB 4.34Å
126Y84.5Confident84.4Confident80 Ų8038.7 Ų38.731%0.31425%0.25SC..  trans-74.9142.2177.2-72.4-83.4000111.1H71 E87 I93 H143 V144 L355H71-Y126 AromaticContact CE1-CE1 3.93Å; H71-Y126 AromaticContact NE2-CE1 3.58Å; E87-Y126 WeakPolarHBondContact OE1-CE1 3.19Å; E87-Y126 PolarHBondContact OE1-OH 3.42Å; I93-Y126 HydrophobicContact CD1-CD1 3.36Å; I93-Y126 HydrophobicContact CD1-CE1 3.56Å; I93-Y126 HydrophobicContact CD1-CG 3.9Å; I93-Y126 HydrophobicContact CG1-CD1 4.42Å; I93-Y126 HydrophobicContact CG1-CE1 4.29Å; Y126-H143 WeakPolarHBondContact O-CA 3.47Å; Y126-V144 PolarHBondContact O-N 3.17Å; Y126-L355 HydrophobicContact CD2-CD2 4.21Å; Y126-L355 HydrophobicContact CE2-CD2 4.37Å
127V88.6Confident84.4Confident6 Ų641.6 Ų41.64%0.03626%0.258CS..EExtended strand (participates in β ladder)trans-82.5124.1174-176.10000108.5L72 I85 V117 C129 L141 G142 Q359L72-V127 HydrophobicContact CD1-CB 4.02Å; L72-V127 HydrophobicContact CD1-CG1 3.61Å; L72-V127 WeakPolarHBondContact CD1-O 3.26Å; I85-V127 HydrophobicContact CD1-CB 4.18Å; I85-V127 HydrophobicContact CD1-CG1 3.88Å; I85-V127 HydrophobicContact CD1-CG2 4.31Å; I85-V127 HydrophobicContact CG2-CB 4.49Å; I85-V127 HydrophobicContact CG2-CG2 4.4Å; V117-V127 HydrophobicContact CB-CG2 3.9Å; V117-V127 HydrophobicContact CG1-CG2 4.22Å; V117-V127 HydrophobicContact CG2-CG2 3.74Å; V127-C129 WeakPolarHBondContact CG1-O 3.34Å; V127-L141 HydrophobicContact CG1-CB 4.22Å; V127-L141 HydrophobicContact CG1-CD2 4.37Å; V127-L141 HydrophobicContact CG2-CD1 4.36Å; V127-G142 CarbonylContact C-O 3.54Å; V127-G142 WeakPolarHBondContact CA-O 3.06Å; V127-G142 WeakPolarHBondContact CG1-O 3.26Å; V127-Q359 PolarHBondContact O-NE2 3.35Å
128T88.5Confident84.6Confident40 Ų4043.1 Ų43.125%0.24526%0.264CS..EExtended strand (participates in β ladder)trans-93.7-34.4-179.250.90000112.3G142 V144 V173T128-G142 PolarHBondContact N-O 2.88Å; T128-G142 PolarHBondContact OG1-O 3.46Å; T128-G142 VanDerWaalsContact OG1-O 3.06Å; T128-V144 HydrophobicContact CG2-CB 3.89Å; T128-V144 HydrophobicContact CG2-CG2 4.44Å; T128-V173 WeakPolarHBondContact CB-O 3.38Å; T128-V173 PolarHBondContact OG1-O 3.45Å
129C89.2Confident85Confident15 Ų1542.2 Ų42.210%0.10126%0.258CS..EExtended strand (participates in β ladder)trans-151.8157.1-178.952.20000111.1V127 G142V127-C129 WeakPolarHBondContact CG1-O 3.34Å; C129-G142 PolarHBondContact O-N 3.06Å
130L92.4Very high85.7Confident25 Ų2541.8 Ų41.813%0.13126%0.256CS..EExtended strand (participates in β ladder)trans-139.5133.7-173.8167.267.5000108.4H74 I83 I85 I132 M139 L141H74-L130 HydrophobicContact CB-CD2 3.76Å; I83-L130 HydrophobicContact CG2-CD2 4.15Å; I85-L130 HydrophobicContact CD1-CD2 4.28Å; L130-I132 HydrophobicContact CD1-CD1 3.75Å; L130-I132 HydrophobicContact CD1-CG1 3.74Å; L130-I132 HydrophobicContact CD2-CD1 3.7Å; L130-I132 HydrophobicContact CG-CD1 3.74Å; L130-I132 HydrophobicContact CG-CG1 4.1Å; L130-M139 HydrophobicContact CD1-CG 3.8Å; L130-M139 HydrophobicContact CD1-SD 4.17Å; L130-L141 HydrophobicContact CD1-CD2 3.24Å; L130-L141 HydrophobicContact CG-CD2 4.42Å
131A92.3Very high86.5Confident10 Ų1037.5 Ų37.58%0.08323%0.225CC..EExtended strand (participates in β ladder)trans-132.4132.6170.700000109.7V140 L176 L178A131-V140 PolarHBondContact N-O 3.3Å; A131-V140 PolarHBondContact O-N 2.82Å; A131-L176 HydrophobicContact CB-CB 3.82Å; A131-L178 HydrophobicContact CB-CB 3.96Å
132I92Very high87.4Confident16 Ų1633.3 Ų33.38%0.08218%0.182CC..EExtended strand (participates in β ladder)trans-130.3140.2-174.9-65150000109.2H74 M76 I83 L130 L136 M139 I155H74-I132 HydrophobicContact CB-CD1 4.23Å; M76-I132 HydrophobicContact CE-CG2 3.89Å; M76-I132 HydrophobicContact SD-CB 4.06Å; M76-I132 HydrophobicContact SD-CD1 4.36Å; M76-I132 HydrophobicContact SD-CG2 3.48Å; M76-I132 WeakPolarHBondContact SD-CG2 3.3Å; I83-I132 HydrophobicContact CB-CD1 4.33Å; I83-I132 HydrophobicContact CD1-CD1 3.35Å; I83-I132 HydrophobicContact CD1-CG1 4.33Å; I83-I132 HydrophobicContact CG1-CD1 4.4Å; I83-I132 HydrophobicContact CG2-CD1 4.37Å; L130-I132 HydrophobicContact CD1-CD1 3.75Å; L130-I132 HydrophobicContact CD1-CG1 3.74Å; L130-I132 HydrophobicContact CD2-CD1 3.7Å; L130-I132 HydrophobicContact CG-CD1 3.74Å; L130-I132 HydrophobicContact CG-CG1 4.1Å; I132-L136 HydrophobicContact CG2-CD2 4.49Å; I132-M139 HydrophobicContact CG1-CB 4.2Å; I132-M139 HydrophobicContact CG1-CG 3.85Å; I132-M139 HydrophobicContact CG1-SD 4.39Å; I132-I155 HydrophobicContact CG2-CD1 3.44Å; I132-I155 VanDerWaalsContact CG2-CD1 3.44Å
133D89.9Confident88Confident18 Ų1830 Ų3010%0.09617%0.165CC..  trans-76.5134.5173.116837.7000110.1G135 L136 H137 Y138 L178 V180D133-G135 VanDerWaalsContact CG-N 3.33Å; D133-G135 PolarHBondContact O-N 3.22Å; D133-G135 PolarHBondContact OD1-N 3.32Å; D133-G135 VanDerWaalsContact OD1-N 3.08Å; D133-L136 WeakPolarHBondContact O-CA 3.22Å; D133-L136 PolarHBondContact O-N 3.48Å; D133-H137 PolarHBondContact OD2-N 3.43Å; D133-Y138 WeakPolarHBondContact CB-O 3.4Å; D133-Y138 PolarHBondContact N-O 3.43Å; D133-L178 HydrophobicContact CB-CD2 3.87Å; D133-L178 VanDerWaalsContact N-CD2 3.34Å; D133-V180 HydrophobicContact CB-CG2 3.74Å; D133-V180 VanDerWaalsContact CG-CG2 3.43Å; D133-V180 WeakPolarHBondContact OD1-CB 3.41Å; D133-V180 WeakPolarHBondContact OD1-CG2 3.39Å
134E85.3Confident88.5Confident43 Ų4327.9 Ų27.920%0.20115%0.15CC..THydrogen-bonded Turntrans-61.3-29.7175.7-65.7-68.2161.800111.3M76 K77 E78 H79 L136M76-E134 HydrophobicContact CE-CG 4.43Å; M76-E134 VanDerWaalsContact CE-OE2 3.28Å; M76-E134 WeakPolarHBondContact CE-OE2 3.27Å; K77-E134 WeakPolarHBondContact CB-OE1 3.26Å; K77-E134 PolarHBondContact N-OE1 3.37Å; K77-E134 PolarHBondContact N-OE2 3.37Å; E78-E134 HydrophobicContact CG-CB 4.24Å; E78-E134 HydrophobicContact CG-CG 4.32Å; E78-E134 PolarHBondContact N-OE2 3.27Å; H79-E134 PolarHBondContact CD2-O 2.83Å; H79-E134 PolarHBondContact NE2-O 3.43Å; E134-L136 PolarHBondContact O-N 2.98Å; E134-L136 VanDerWaalsContact O-N 3.13Å
135G86.1Confident89.3Confident35 Ų3526.4 Ų26.436%0.36114%0.143SC..THydrogen-bonded Turntrans-69.5-2.2171.400000115.3D133 H137D133-G135 VanDerWaalsContact CG-N 3.33Å; D133-G135 PolarHBondContact O-N 3.22Å; D133-G135 PolarHBondContact OD1-N 3.32Å; D133-G135 VanDerWaalsContact OD1-N 3.08Å; G135-H137 PolarHBondContact O-CD2 2.92Å; G135-H137 VanDerWaalsContact O-CD2 3.26Å; G135-H137 PolarHBondContact O-N 3.19Å; G135-H137 PolarHBondContact O-NE2 3.42Å
136L87.6Confident89.8Confident17 Ų1726.2 Ų26.29%0.08914%0.141CC..SBendtrans57.526.8-179.1-55.2175.5000114.7M76 L81 I132 D133 E134 G153 I155 T156M76-L136 HydrophobicContact CE-CD2 3.89Å; M76-L136 HydrophobicContact CG-CD2 4.33Å; M76-L136 HydrophobicContact SD-CD2 4.13Å; L81-L136 HydrophobicContact CD1-CD1 3.61Å; L81-L136 HydrophobicContact CD1-CD2 4.11Å; I132-L136 HydrophobicContact CG2-CD2 4.49Å; D133-L136 WeakPolarHBondContact O-CA 3.22Å; D133-L136 PolarHBondContact O-N 3.48Å; E134-L136 PolarHBondContact O-N 2.98Å; E134-L136 VanDerWaalsContact O-N 3.13Å; L136-G153 VanDerWaalsContact O-O 3.14Å; L136-I155 HydrophobicContact CB-CB 4.42Å; L136-I155 HydrophobicContact CB-CD1 4.34Å; L136-I155 HydrophobicContact CD2-CD1 4.27Å; L136-I155 WeakPolarHBondContact O-CG1 3.41Å; L136-I155 PolarHBondContact O-N 3.49Å; L136-T156 HydrophobicContact CD1-CG2 4.09Å
137H88Confident90.2Very high107 Ų10722.4 Ų22.450%0.49513%0.126SC..SBendtrans-101.2-22-179.6-64.2-49000114D133 G135 K152 G153D133-H137 PolarHBondContact OD2-N 3.43Å; G135-H137 PolarHBondContact O-CD2 2.92Å; G135-H137 VanDerWaalsContact O-CD2 3.26Å; G135-H137 PolarHBondContact O-N 3.19Å; G135-H137 PolarHBondContact O-NE2 3.42Å; H137-K152 WeakPolarHBondContact O-CA 3.45Å; H137-G153 CarbonylContact C-O 3.58Å; H137-G153 WeakPolarHBondContact CA-O 3.25Å; H137-G153 PolarHBondContact O-N 3.37Å
138Y90.6Very high90.4Very high32 Ų3222.1 Ų22.113%0.12513%0.125CC..EExtended strand (participates in β ladder)trans-134.7133.9-176.4-62.9-82.9000110.7D133 L150 F151 K152 V180 P208 L223D133-Y138 WeakPolarHBondContact CB-O 3.4Å; D133-Y138 PolarHBondContact N-O 3.43Å; Y138-L150 HydrophobicContact CD1-CD1 4.23Å; Y138-F151 WeakPolarHBondContact CA-O 3.19Å; Y138-K152 HydrophobicContact CD1-CB 4.39Å; Y138-K152 HydrophobicContact CD1-CG 4.18Å; Y138-K152 HydrophobicContact CE1-CB 4.36Å; Y138-K152 HydrophobicContact CE1-CD 3.8Å; Y138-K152 HydrophobicContact CE1-CG 3.73Å; Y138-K152 WeakPolarHBondContact OH-CE 3.05Å; Y138-K152 PolarHBondContact OH-NZ 2.94Å; Y138-V180 HydrophobicContact CD2-CG1 4.39Å; Y138-V180 HydrophobicContact CD2-CG2 3.89Å; Y138-V180 HydrophobicContact CE2-CG1 4.38Å; Y138-P208 HydrophobicContact CE2-CB 4.35Å; Y138-P208 HydrophobicContact CE2-CG 3.84Å; Y138-L223 HydrophobicContact CD1-CD1 4.12Å; Y138-L223 HydrophobicContact CE1-CD1 4.13Å
139M91.7Very high90.6Very high1 Ų120.4 Ų20.41%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-136.8132.3172.4170.8179.281.200108.9L95 L130 I132 L141 F151 I155L95-M139 HydrophobicContact CD1-CE 3.69Å; L95-M139 HydrophobicContact CD1-SD 3.54Å; L95-M139 VanDerWaalsContact CD1-SD 3.54Å; L95-M139 HydrophobicContact CD2-CE 4.4Å; L95-M139 HydrophobicContact CD2-SD 4.4Å; L130-M139 HydrophobicContact CD1-CG 3.8Å; L130-M139 HydrophobicContact CD1-SD 4.17Å; I132-M139 HydrophobicContact CG1-CB 4.2Å; I132-M139 HydrophobicContact CG1-CG 3.85Å; I132-M139 HydrophobicContact CG1-SD 4.39Å; M139-L141 HydrophobicContact CG-CD2 4.23Å; M139-L141 HydrophobicContact SD-CD2 4.46Å; M139-F151 HydrophobicContact CB-CB 4.04Å; M139-F151 HydrophobicContact CE-CB 3.84Å; M139-F151 HydrophobicContact CE-CD1 3.87Å; M139-F151 HydrophobicContact CE-CD2 3.47Å; M139-F151 VanDerWaalsContact CE-CD2 3.47Å; M139-F151 HydrophobicContact CE-CE1 4.25Å; M139-F151 HydrophobicContact CE-CE2 3.9Å; M139-F151 HydrophobicContact CE-CG 3.45Å; M139-F151 VanDerWaalsContact CE-CG 3.45Å; M139-F151 HydrophobicContact CE-CZ 4.27Å; M139-F151 PolarHBondContact N-O 3.26Å; M139-F151 WeakPolarHBondContact O-CB 3.31Å; M139-F151 PolarHBondContact O-N 2.92Å; M139-I155 HydrophobicContact CB-CD1 3.83Å; M139-I155 HydrophobicContact CB-CG1 4.13Å; M139-I155 HydrophobicContact SD-CG2 4.4Å
140V94.1Very high90.7Very high0 Ų020.2 Ų20.20%011%0.112CC..EExtended strand (participates in β ladder)trans-121.4128.5-178.1-170.50000109.2A131 V148 Q149 L150 L176 L178 V210A131-V140 PolarHBondContact N-O 3.3Å; A131-V140 PolarHBondContact O-N 2.82Å; V140-V148 HydrophobicContact CG1-CG1 3.48Å; V140-V148 VanDerWaalsContact CG1-CG1 3.48Å; V140-Q149 CarbonylContact C-O 3.57Å; V140-Q149 VanDerWaalsContact CA-O 3.3Å; V140-Q149 WeakPolarHBondContact CA-O 3.39Å; V140-L150 HydrophobicContact CG2-CD1 3.74Å; V140-L176 HydrophobicContact CB-CD1 4.2Å; V140-L176 HydrophobicContact CG1-CD1 3.8Å; V140-L176 HydrophobicContact CG1-CD2 3.89Å; V140-L176 HydrophobicContact CG1-CG 4.47Å; V140-L176 WeakPolarHBondContact O-CD1 3.42Å; V140-L178 HydrophobicContact CG2-CD2 4.44Å; V140-V210 HydrophobicContact CG1-CG1 4.04Å; V140-V210 HydrophobicContact CG2-CG1 4.12Å; V140-V210 HydrophobicContact CG2-CG2 3.95Å
141L93.7Very high90.5Very high0 Ų019.2 Ų19.20%011%0.106CC..EExtended strand (participates in β ladder)trans-111.4130.8175.6-51.6-173.8000109.9I85 L95 V117 V127 L130 M139 V148 Q149 F151I85-L141 HydrophobicContact CD1-CD2 4.24Å; L95-L141 HydrophobicContact CD1-CD2 4.23Å; V117-L141 HydrophobicContact CB-CD1 3.97Å; V117-L141 HydrophobicContact CG1-CD1 3.98Å; V127-L141 HydrophobicContact CG1-CB 4.22Å; V127-L141 HydrophobicContact CG1-CD2 4.37Å; V127-L141 HydrophobicContact CG2-CD1 4.36Å; L130-L141 HydrophobicContact CD1-CD2 3.24Å; L130-L141 HydrophobicContact CG-CD2 4.42Å; M139-L141 HydrophobicContact CG-CD2 4.23Å; M139-L141 HydrophobicContact SD-CD2 4.46Å; L141-V148 CarbonylContact O-C 3.6Å; L141-V148 WeakPolarHBondContact O-CA 3.38Å; L141-Q149 HydrophobicContact CB-CB 4.3Å; L141-Q149 PolarHBondContact N-O 3.28Å; L141-Q149 PolarHBondContact O-N 3.1Å; L141-F151 HydrophobicContact CD1-CD2 4.38Å; L141-F151 HydrophobicContact CD1-CE2 3.56Å; L141-F151 HydrophobicContact CD1-CZ 4.25Å; L141-F151 HydrophobicContact CG-CD2 4.29Å; L141-F151 HydrophobicContact CG-CE2 3.91Å
142G92.9Very high90.3Very high0 Ų021.4 Ų21.40%011%0.114CC..EExtended strand (participates in β ladder)trans-100.3132.2170.700000109V127 T128 C129 L176V127-G142 CarbonylContact C-O 3.54Å; V127-G142 WeakPolarHBondContact CA-O 3.06Å; V127-G142 WeakPolarHBondContact CG1-O 3.26Å; T128-G142 PolarHBondContact N-O 2.88Å; T128-G142 PolarHBondContact OG1-O 3.46Å; T128-G142 VanDerWaalsContact OG1-O 3.06Å; C129-G142 PolarHBondContact O-N 3.06Å; G142-L176 VanDerWaalsContact N-CD1 3.28Å
143H91.9Very high90Very high0 Ų021.5 Ų21.50%012%0.119CC..EExtended strand (participates in β ladder)trans-110.6155-177.2-66-98.1000111.4A125 Y126 N145 G146 I147 Q149 V173A125-H143 HydrophobicContact CB-CB 4.34Å; Y126-H143 WeakPolarHBondContact O-CA 3.47Å; H143-N145 WeakPolarHBondContact CB-OD1 3.24Å; H143-N145 PolarHBondContact O-N 3.42Å; H143-G146 PolarHBondContact O-N 3.07Å; H143-I147 HydrophobicContact CB-CB 4.15Å; H143-I147 PolarHBondContact CD2-O 3.08Å; H143-I147 PolarHBondContact N-O 3.09Å; H143-Q149 PolarHBondContact NE2-OE1 2.99Å; H143-V173 PolarHBondContact O-N 3.12Å
144V88.5Confident89.8Confident51 Ų5122.4 Ų22.431%0.30912%0.124SC..THydrogen-bonded Turntrans-63.6-25.2178.767.80000113.2Y126 T128 G146 P172Y126-V144 PolarHBondContact O-N 3.17Å; T128-V144 HydrophobicContact CG2-CB 3.89Å; T128-V144 HydrophobicContact CG2-CG2 4.44Å; V144-G146 PolarHBondContact O-N 3.31Å; V144-P172 HydrophobicContact CG2-CB 4.37Å; V144-P172 HydrophobicContact CG2-CG 4.28Å; V144-P172 VanDerWaalsContact O-CA 3.28Å; V144-P172 WeakPolarHBondContact O-CA 3.38Å; V144-P172 WeakPolarHBondContact O-CB 3.15Å; V144-P172 VanDerWaalsContact O-CG 3.28Å; V144-P172 WeakPolarHBondContact O-CG 3.2Å
145N88.5Confident89.8Confident54 Ų5420.3 Ų20.329%0.28911%0.114SC..THydrogen-bonded Turntrans-83.56.1174.964.9-6.1000113.4H143 I147H143-N145 WeakPolarHBondContact CB-OD1 3.24Å; H143-N145 PolarHBondContact O-N 3.42Å; N145-I147 WeakPolarHBondContact ND2-CD1 3.41Å; N145-I147 WeakPolarHBondContact OD1-CG1 3.24Å; N145-I147 PolarHBondContact OD1-N 2.66Å
146G89.1Confident89.6Confident0 Ų020.2 Ų20.20%011%0.106CC..SBendtrans91-1.8177.800000115.1H143 V144 F169 C171 V173H143-G146 PolarHBondContact O-N 3.07Å; V144-G146 PolarHBondContact O-N 3.31Å; G146-F169 PolarHBondContact O-N 3.15Å; G146-C171 WeakPolarHBondContact CA-O 3.29Å; G146-V173 WeakPolarHBondContact O-CG2 3.47Å
147I92.9Very high89.2Confident1 Ų126.6 Ų26.61%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-72.1132.5178.5-63.9178.2000110.6P119 L122 H143 N145 Q149 I165 E168P119-I147 HydrophobicContact CG-CG2 4.44Å; L122-I147 HydrophobicContact CD1-CD1 3.52Å; H143-I147 HydrophobicContact CB-CB 4.15Å; H143-I147 PolarHBondContact CD2-O 3.08Å; H143-I147 PolarHBondContact N-O 3.09Å; N145-I147 WeakPolarHBondContact ND2-CD1 3.41Å; N145-I147 WeakPolarHBondContact OD1-CG1 3.24Å; N145-I147 PolarHBondContact OD1-N 2.66Å; I147-Q149 HydrophobicContact CG2-CB 4.48Å; I147-I165 HydrophobicContact CG2-CG1 4.17Å; I147-I165 HydrophobicContact CG2-CG2 4.02Å; I147-E168 HydrophobicContact CG1-CG 4.05Å
148V92.8Very high88.3Confident0 Ų026.4 Ų26.40%013%0.129CC..EExtended strand (participates in β ladder)trans-105111.1166.3-176.40000108V140 L141 L166 Y167 F169 V173 L176 A212V140-V148 HydrophobicContact CG1-CG1 3.48Å; V140-V148 VanDerWaalsContact CG1-CG1 3.48Å; L141-V148 CarbonylContact O-C 3.6Å; L141-V148 WeakPolarHBondContact O-CA 3.38Å; V148-L166 HydrophobicContact CB-CB 4.4Å; V148-L166 HydrophobicContact CG1-CB 4.16Å; V148-L166 HydrophobicContact CG1-CD2 3.97Å; V148-L166 WeakPolarHBondContact O-CB 3.47Å; V148-L166 PolarHBondContact O-N 3.25Å; V148-Y167 PolarHBondContact N-O 3.24Å; V148-Y167 PolarHBondContact O-N 3.39Å; V148-F169 HydrophobicContact CG2-CD2 3.95Å; V148-F169 HydrophobicContact CG2-CE2 3.71Å; V148-V173 HydrophobicContact CG2-CG1 4.38Å; V148-V173 HydrophobicContact CG2-CG2 3.86Å; V148-L176 HydrophobicContact CG1-CD2 4.11Å; V148-A212 HydrophobicContact CG2-CB 3.97Å
149Q92.1Very high87.4Confident4 Ų437.2 Ų37.22%0.01917%0.169CC..EExtended strand (participates in β ladder)trans-104.6128-176.2-173.7-177.517.500110.2V117 V140 L141 H143 I147 F151 S164V117-Q149 PolarHBondContact O-OE1 2.89Å; V140-Q149 CarbonylContact C-O 3.57Å; V140-Q149 VanDerWaalsContact CA-O 3.3Å; V140-Q149 WeakPolarHBondContact CA-O 3.39Å; L141-Q149 HydrophobicContact CB-CB 4.3Å; L141-Q149 PolarHBondContact N-O 3.28Å; L141-Q149 PolarHBondContact O-N 3.1Å; H143-Q149 PolarHBondContact NE2-OE1 2.99Å; I147-Q149 HydrophobicContact CG2-CB 4.48Å; Q149-F151 VanDerWaalsContact CD-CE2 3.46Å; Q149-F151 HydrophobicContact CG-CD2 4.31Å; Q149-F151 HydrophobicContact CG-CE2 3.76Å; Q149-F151 HydrophobicContact CG-CZ 4.45Å; Q149-S164 CarbonylContact C-O 3.45Å; Q149-S164 WeakPolarHBondContact CA-O 3.33Å
150L91.6Very high86.5Confident10 Ų1042.7 Ų42.75%0.05220%0.195CC..EExtended strand (participates in β ladder)trans-106.3128.6179177.568.7000110.5Y138 V140 R163 S164 L166 L223Y138-L150 HydrophobicContact CD1-CD1 4.23Å; V140-L150 HydrophobicContact CG2-CD1 3.74Å; L150-R163 CarbonylContact O-C 3.59Å; L150-R163 WeakPolarHBondContact O-CA 3.39Å; L150-S164 PolarHBondContact N-O 2.95Å; L150-S164 PolarHBondContact O-N 3.41Å; L150-S164 PolarHBondContact O-OG 2.61Å; L150-L166 HydrophobicContact CB-CB 4.3Å; L150-L166 HydrophobicContact CD2-CD1 4.3Å; L150-L223 HydrophobicContact CD1-CD1 4.22Å; L150-L223 HydrophobicContact CD2-CD1 3.96Å; L150-L223 HydrophobicContact CD2-CD2 4.26Å
151F89.9Confident85.7Confident4 Ų443.7 Ų43.72%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-106.8124.1167.8-71.6-98.9000108.4T115 Y138 M139 L141 Q149 K162 R163T115-F151 HydrophobicContact CG2-CE1 4.17Å; Y138-F151 WeakPolarHBondContact CA-O 3.19Å; M139-F151 HydrophobicContact CB-CB 4.04Å; M139-F151 HydrophobicContact CE-CB 3.84Å; M139-F151 HydrophobicContact CE-CD1 3.87Å; M139-F151 HydrophobicContact CE-CD2 3.47Å; M139-F151 VanDerWaalsContact CE-CD2 3.47Å; M139-F151 HydrophobicContact CE-CE1 4.25Å; M139-F151 HydrophobicContact CE-CE2 3.9Å; M139-F151 HydrophobicContact CE-CG 3.45Å; M139-F151 VanDerWaalsContact CE-CG 3.45Å; M139-F151 HydrophobicContact CE-CZ 4.27Å; M139-F151 PolarHBondContact N-O 3.26Å; M139-F151 WeakPolarHBondContact O-CB 3.31Å; M139-F151 PolarHBondContact O-N 2.92Å; L141-F151 HydrophobicContact CD1-CD2 4.38Å; L141-F151 HydrophobicContact CD1-CE2 3.56Å; L141-F151 HydrophobicContact CD1-CZ 4.25Å; L141-F151 HydrophobicContact CG-CD2 4.29Å; L141-F151 HydrophobicContact CG-CE2 3.91Å; Q149-F151 VanDerWaalsContact CD-CE2 3.46Å; Q149-F151 HydrophobicContact CG-CD2 4.31Å; Q149-F151 HydrophobicContact CG-CE2 3.76Å; Q149-F151 HydrophobicContact CG-CZ 4.45Å; F151-K162 WeakPolarHBondContact CA-O 3.42Å; F151-R163 HydrophobicContact CD1-CB 3.95Å; F151-R163 HydrophobicContact CE1-CB 3.83Å; F151-R163 HydrophobicContact CZ-CB 4.3Å
152K87.2Confident85.2Confident56 Ų5649.3 Ų49.324%0.24323%0.226CC..EExtended strand (participates in β ladder)trans-122.2129.1-179.7-179.1174.8-176.1163.80110.6H137 Y138 C161 K162 E227H137-K152 WeakPolarHBondContact O-CA 3.45Å; Y138-K152 HydrophobicContact CD1-CB 4.39Å; Y138-K152 HydrophobicContact CD1-CG 4.18Å; Y138-K152 HydrophobicContact CE1-CB 4.36Å; Y138-K152 HydrophobicContact CE1-CD 3.8Å; Y138-K152 HydrophobicContact CE1-CG 3.73Å; Y138-K152 WeakPolarHBondContact OH-CE 3.05Å; Y138-K152 PolarHBondContact OH-NZ 2.94Å; K152-C161 CarbonylContact O-C 3.56Å; K152-C161 WeakPolarHBondContact O-CA 3.22Å; K152-K162 PolarHBondContact N-O 3.43Å; K152-K162 PolarHBondContact O-N 3.49Å; K152-E227 HydrophobicContact CD-CG 4.47Å
153G85.8Confident84.9Confident18 Ų1854.7 Ų54.719%0.18625%0.246CC..SBendtrans120.7-176.2-176.200000111.4L136 H137 I155L136-G153 VanDerWaalsContact O-O 3.14Å; H137-G153 CarbonylContact C-O 3.58Å; H137-G153 WeakPolarHBondContact CA-O 3.25Å; H137-G153 PolarHBondContact O-N 3.37Å; G153-I155 PolarHBondContact O-N 2.88Å; G153-I155 VanDerWaalsContact O-N 3.1Å
154D85Confident84.7Confident37 Ų3756.8 Ų56.820%0.19826%0.261CS..  trans-60.3114.3-178.2-177-9.7000111T156 R157 Q160D154-T156 VanDerWaalsContact CG-OG1 3.31Å; D154-T156 PolarHBondContact O-N 3.3Å; D154-T156 WeakPolarHBondContact OD1-CB 3.42Å; D154-T156 PolarHBondContact OD1-N 2.98Å; D154-T156 PolarHBondContact OD1-OG1 3.32Å; D154-T156 PolarHBondContact OD2-OG1 3Å; D154-R157 HydrophobicContact CB-CB 4.37Å; D154-R157 PolarHBondContact O-N 3.06Å; D154-R157 VanDerWaalsContact O-O 3.08Å; D154-R157 WeakPolarHBondContact OD2-CD 3.28Å; D154-R157 WeakPolarHBondContact OD2-CG 3.45Å; D154-R157 IonicContact OD2-NE 3.08Å; D154-Q160 HydrophobicContact CB-CB 4.42Å
155I84.8Confident84.8Confident0 Ų058.4 Ų58.40%027%0.267CS..THydrogen-bonded Turntrans-64-29.8-179.6-64.5169.7000111.1I83 V97 R113 I132 L136 M139 G153 R157I83-I155 HydrophobicContact CD1-CG2 4.28Å; V97-I155 HydrophobicContact CG2-CG2 4.24Å; R113-I155 WeakPolarHBondContact CD-O 3.49Å; R113-I155 PolarHBondContact NH1-O 3.35Å; I132-I155 HydrophobicContact CG2-CD1 3.44Å; I132-I155 VanDerWaalsContact CG2-CD1 3.44Å; L136-I155 HydrophobicContact CB-CB 4.42Å; L136-I155 HydrophobicContact CB-CD1 4.34Å; L136-I155 HydrophobicContact CD2-CD1 4.27Å; L136-I155 WeakPolarHBondContact O-CG1 3.41Å; L136-I155 PolarHBondContact O-N 3.49Å; M139-I155 HydrophobicContact CB-CD1 3.83Å; M139-I155 HydrophobicContact CB-CG1 4.13Å; M139-I155 HydrophobicContact SD-CG2 4.4Å; G153-I155 PolarHBondContact O-N 2.88Å; G153-I155 VanDerWaalsContact O-N 3.1Å; I155-R157 VanDerWaalsContact C-N 3.3Å; I155-R157 PolarHBondContact O-N 3.48Å
156T83.6Confident84.8Confident33 Ų3356.6 Ų56.620%0.20226%0.257CS..THydrogen-bonded Turntrans-75.2-19-179.170.60000113.3L81 L136 D154L81-T156 HydrophobicContact CD1-CG2 3.68Å; L136-T156 HydrophobicContact CD1-CG2 4.09Å; D154-T156 VanDerWaalsContact CG-OG1 3.31Å; D154-T156 PolarHBondContact O-N 3.3Å; D154-T156 WeakPolarHBondContact OD1-CB 3.42Å; D154-T156 PolarHBondContact OD1-N 2.98Å; D154-T156 PolarHBondContact OD1-OG1 3.32Å; D154-T156 PolarHBondContact OD2-OG1 3Å
157R78.9Confident84.9Confident151 Ų15160 Ų6057%0.5727%0.271SS*.  trans-125.5108.3-174.3-63.4-180-175.8-1710.9111.8D154 I155 R159 Q160D154-R157 HydrophobicContact CB-CB 4.37Å; D154-R157 PolarHBondContact O-N 3.06Å; D154-R157 VanDerWaalsContact O-O 3.08Å; D154-R157 WeakPolarHBondContact OD2-CD 3.28Å; D154-R157 WeakPolarHBondContact OD2-CG 3.45Å; D154-R157 IonicContact OD2-NE 3.08Å; I155-R157 VanDerWaalsContact C-N 3.3Å; I155-R157 PolarHBondContact O-N 3.48Å; R157-R159 VanDerWaalsContact C-N 3.35Å; R157-R159 PolarHBondContact O-N 3.44Å; R157-Q160 PolarHBondContact O-N 3.11Å
158E69.5Low84.8Confident103 Ų10365.7 Ų65.748%0.48130%0.297SS..G310 helixtrans-56.7-42.1-176.4-174.3169-13600114.1R113 T115 Q160 C161R113-E158 HydrophobicContact CG-CB 4.38Å; T115-E158 PolarHBondContact OG1-OE1 3.3Å; E158-Q160 PolarHBondContact O-N 3.18Å; E158-C161 PolarHBondContact O-N 3.36Å
159R71Confident84.7Confident258 Ų25866.1 Ų66.197%0.97430%0.299SS*.G310 helixtrans-61.9-19.8-176.5-69.1-174.3-179.4-1780.5114.5R157R157-R159 VanDerWaalsContact C-N 3.35Å; R157-R159 PolarHBondContact O-N 3.44Å
160Q72.3Confident84.5Confident117 Ų11774.1 Ų74.155%0.54734%0.341SS..G310 helixtrans-101.90.7-179.4-66.8-175.1-23.600112.6D154 R157 E158D154-Q160 HydrophobicContact CB-CB 4.42Å; R157-Q160 PolarHBondContact O-N 3.11Å; E158-Q160 PolarHBondContact O-N 3.18Å
161C78.3Confident84.4Confident20 Ų2074.5 Ų74.514%0.13534%0.344CS..  trans-105.9109.9-172.7-166.80000110.4R113 K152 E158R113-C161 PolarHBondContact NH1-SG 2.7Å; R113-C161 VanDerWaalsContact NH1-SG 3.39Å; R113-C161 PolarHBondContact NH2-SG 3.18Å; K152-C161 CarbonylContact O-C 3.56Å; K152-C161 WeakPolarHBondContact O-CA 3.22Å; E158-C161 PolarHBondContact O-N 3.36Å
162K82.9Confident84.4Confident118 Ų11876 Ų7651%0.51335%0.354SS..EExtended strand (participates in β ladder)trans-90.9130.9176.8-168.8171.9174.7-173.30110F151 K152 E227F151-K162 WeakPolarHBondContact CA-O 3.42Å; K152-K162 PolarHBondContact N-O 3.43Å; K152-K162 PolarHBondContact O-N 3.49Å; K162-E227 WeakPolarHBondContact CD-OE1 3.35Å; K162-E227 WeakPolarHBondContact CE-OE1 3.33Å; K162-E227 WeakPolarHBondContact CE-OE2 3.26Å; K162-E227 IonicContact NZ-OE1 3.8Å; K162-E227 PolarHBondContact NZ-OE1 2.92Å; K162-E227 IonicContact NZ-OE2 3.94Å; K162-E227 PolarHBondContact NZ-OE2 3.18Å
163R86.4Confident84.6Confident113 Ų11373.3 Ų73.343%0.42634%0.343SS..EExtended strand (participates in β ladder)trans-105.4141.7-179.265.7-179.9-178.3167.6-1.8111.8S120 L150 F151S120-R163 VanDerWaalsContact CB-NH2 3.32Å; S120-R163 PolarHBondContact OG-NH2 3.17Å; L150-R163 CarbonylContact O-C 3.59Å; L150-R163 WeakPolarHBondContact O-CA 3.39Å; F151-R163 HydrophobicContact CD1-CB 3.95Å; F151-R163 HydrophobicContact CE1-CB 3.83Å; F151-R163 HydrophobicContact CZ-CB 4.3Å
164S88.3Confident84.9Confident45 Ų4572.8 Ų72.832%0.31534%0.336SS..EExtended strand (participates in β ladder)trans-150.4159178.959.30000111.3Q149 L150Q149-S164 CarbonylContact C-O 3.45Å; Q149-S164 WeakPolarHBondContact CA-O 3.33Å; L150-S164 PolarHBondContact N-O 2.95Å; L150-S164 PolarHBondContact O-N 3.41Å; L150-S164 PolarHBondContact O-OG 2.61Å
165I90Very high85.2Confident84 Ų8471.1 Ų71.143%0.43133%0.328SS..EExtended strand (participates in β ladder)trans-90.6116.9169.7-63.9170.5000107P119 L122 I147P119-I165 HydrophobicContact CB-CD1 4.47Å; L122-I165 HydrophobicContact CD1-CD1 3.9Å; I147-I165 HydrophobicContact CG2-CG1 4.17Å; I147-I165 HydrophobicContact CG2-CG2 4.02Å
166L89.1Confident85.6Confident17 Ų1772.1 Ų72.19%0.08933%0.333CS..EExtended strand (participates in β ladder)trans-77.6-44.6178.9-173.171.4000110.6V148 L150 V210 F221 L223 I229V148-L166 HydrophobicContact CB-CB 4.4Å; V148-L166 HydrophobicContact CG1-CB 4.16Å; V148-L166 HydrophobicContact CG1-CD2 3.97Å; V148-L166 WeakPolarHBondContact O-CB 3.47Å; V148-L166 PolarHBondContact O-N 3.25Å; L150-L166 HydrophobicContact CB-CB 4.3Å; L150-L166 HydrophobicContact CD2-CD1 4.3Å; L166-V210 HydrophobicContact CD2-CB 4Å; L166-V210 HydrophobicContact CD2-CG1 3.88Å; L166-V210 HydrophobicContact CD2-CG2 4.14Å; L166-F221 HydrophobicContact CD1-CB 4.44Å; L166-F221 HydrophobicContact CD2-CB 4.01Å; L166-F221 HydrophobicContact CD2-CD1 4.47Å; L166-F221 HydrophobicContact CD2-CD2 3.69Å; L166-F221 HydrophobicContact CD2-CE2 4.29Å; L166-F221 HydrophobicContact CD2-CG 3.8Å; L166-F221 HydrophobicContact CG-CB 4.44Å; L166-F221 HydrophobicContact CG-CD1 4.33Å; L166-F221 HydrophobicContact CG-CD2 4.37Å; L166-F221 HydrophobicContact CG-CG 4.13Å; L166-L223 HydrophobicContact CD1-CD2 3.67Å; L166-I229 HydrophobicContact CD1-CD1 3.63Å; L166-I229 HydrophobicContact CD1-CG1 3.74Å; L166-I229 HydrophobicContact CG-CD1 4.25Å; L166-I229 WeakPolarHBondContact O-CD1 3.34Å
167Y90.4Very high86Confident72 Ų7270.6 Ų70.628%0.28232%0.324SS..EExtended strand (participates in β ladder)trans-161.8163.1179.4-168.2-120.1000112V148 F169 M219 F221 K232V148-Y167 PolarHBondContact N-O 3.24Å; V148-Y167 PolarHBondContact O-N 3.39Å; Y167-F169 HydrophobicContact CD1-CD1 4.21Å; Y167-F169 AromaticContact CD1-CD2 3.87Å; Y167-F169 HydrophobicContact CD1-CD2 3.87Å; Y167-F169 HydrophobicContact CD1-CE1 4.09Å; Y167-F169 AromaticContact CD1-CE2 3.75Å; Y167-F169 HydrophobicContact CD1-CE2 3.75Å; Y167-F169 HydrophobicContact CD1-CG 4.11Å; Y167-F169 AromaticContact CD1-CZ 3.87Å; Y167-F169 HydrophobicContact CD1-CZ 3.87Å; Y167-F169 AromaticContact CE1-CD1 3.8Å; Y167-F169 HydrophobicContact CE1-CD1 3.8Å; Y167-F169 HydrophobicContact CE1-CD2 4.28Å; Y167-F169 AromaticContact CE1-CE1 3.81Å; Y167-F169 HydrophobicContact CE1-CE1 3.81Å; Y167-F169 HydrophobicContact CE1-CE2 4.29Å; Y167-F169 HydrophobicContact CE1-CG 4.05Å; Y167-F169 HydrophobicContact CE1-CZ 4.07Å; Y167-M219 HydrophobicContact CD1-SD 4.02Å; Y167-M219 HydrophobicContact CE1-SD 3.47Å; Y167-M219 WeakPolarHBondContact CE1-SD 3.48Å; Y167-F221 HydrophobicContact CD1-CE1 4.47Å; Y167-F221 AromaticContact CD1-CZ 3.87Å; Y167-F221 HydrophobicContact CD1-CZ 3.87Å; Y167-F221 HydrophobicContact CD2-CE1 4.44Å; Y167-F221 AromaticContact CG-CE1 3.97Å; Y167-F221 HydrophobicContact CG-CE1 3.97Å; Y167-F221 AromaticContact CG-CZ 3.74Å; Y167-F221 HydrophobicContact CG-CZ 3.74Å; Y167-K232 VanDerWaalsContact CZ-NZ 3.32Å; Y167-K232 PolarHBondContact OH-NZ 3.22Å
168E91.1Very high86.6Confident119 Ų11964.1 Ų64.156%0.55630%0.301SS*.EExtended strand (participates in β ladder)trans-130.8113.9175.7-174.5175.2-179.200109.2I147I147-E168 HydrophobicContact CG1-CG 4.05Å
169F90.1Very high87.6Confident9 Ų962 Ų624%0.03929%0.289CS..  trans-82.8158.8170.7-70.3-83.3000110.8G146 V148 Y167 C171 V173 A212 S217 M219G146-F169 PolarHBondContact O-N 3.15Å; V148-F169 HydrophobicContact CG2-CD2 3.95Å; V148-F169 HydrophobicContact CG2-CE2 3.71Å; Y167-F169 HydrophobicContact CD1-CD1 4.21Å; Y167-F169 AromaticContact CD1-CD2 3.87Å; Y167-F169 HydrophobicContact CD1-CD2 3.87Å; Y167-F169 HydrophobicContact CD1-CE1 4.09Å; Y167-F169 AromaticContact CD1-CE2 3.75Å; Y167-F169 HydrophobicContact CD1-CE2 3.75Å; Y167-F169 HydrophobicContact CD1-CG 4.11Å; Y167-F169 AromaticContact CD1-CZ 3.87Å; Y167-F169 HydrophobicContact CD1-CZ 3.87Å; Y167-F169 AromaticContact CE1-CD1 3.8Å; Y167-F169 HydrophobicContact CE1-CD1 3.8Å; Y167-F169 HydrophobicContact CE1-CD2 4.28Å; Y167-F169 AromaticContact CE1-CE1 3.81Å; Y167-F169 HydrophobicContact CE1-CE1 3.81Å; Y167-F169 HydrophobicContact CE1-CE2 4.29Å; Y167-F169 HydrophobicContact CE1-CG 4.05Å; Y167-F169 HydrophobicContact CE1-CZ 4.07Å; F169-C171 VanDerWaalsContact C-N 3.26Å; F169-C171 WeakPolarHBondContact CB-O 3.4Å; F169-V173 HydrophobicContact CD2-CG2 4.1Å; F169-A212 HydrophobicContact CE2-CB 3.79Å; F169-A212 HydrophobicContact CZ-CB 4.07Å; F169-S217 WeakPolarHBondContact CD1-OG 3.43Å; F169-S217 VanDerWaalsContact CE1-OG 3.3Å; F169-S217 WeakPolarHBondContact CE1-OG 3.32Å; F169-M219 HydrophobicContact CE1-CB 4.49Å; F169-M219 HydrophobicContact CE1-CG 3.72Å; F169-M219 HydrophobicContact CE1-SD 3.86Å; F169-M219 HydrophobicContact CZ-CB 4.04Å; F169-M219 HydrophobicContact CZ-CG 3.77Å; F169-M219 HydrophobicContact CZ-SD 4.1Å
170L88.1Confident88.3Confident172 Ų17251.3 Ų51.390%0.90125%0.252SS*.SBendtrans-79.1-10.5173.2-63.3175.1000113.3
171C89.6Confident88.5Confident19 Ų1946.1 Ų46.113%0.12823%0.228CC..SBendtrans-132.5161.4-176.6-62.50000109.6G146 F169 V173 E215 Q216G146-C171 WeakPolarHBondContact CA-O 3.29Å; F169-C171 VanDerWaalsContact C-N 3.26Å; F169-C171 WeakPolarHBondContact CB-O 3.4Å; C171-V173 PolarHBondContact O-N 3.09Å; C171-E215 HydrophobicContact CB-CB 4.2Å; C171-Q216 PolarHBondContact SG-NE2 2.99Å
172P89.7Confident88Confident34 Ų3451.3 Ų51.322%0.22125%0.254CS..  trans-51.2140.6178.1-24.231.1000112.6V144 T174 S214 E215V144-P172 HydrophobicContact CG2-CB 4.37Å; V144-P172 HydrophobicContact CG2-CG 4.28Å; V144-P172 VanDerWaalsContact O-CA 3.28Å; V144-P172 WeakPolarHBondContact O-CA 3.38Å; V144-P172 WeakPolarHBondContact O-CB 3.15Å; V144-P172 VanDerWaalsContact O-CG 3.28Å; V144-P172 WeakPolarHBondContact O-CG 3.2Å; P172-T174 PolarHBondContact O-N 3.36Å; P172-S214 WeakPolarHBondContact O-CA 3.3Å; P172-S214 WeakPolarHBondContact O-CB 3.44Å; P172-E215 PolarHBondContact O-N 3.12Å
173V92Very high86.9Confident1 Ų151.5 Ų51.51%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-72.7124.4169.4-171.10000107.4T128 H143 G146 V148 F169 C171 L176 A213T128-V173 WeakPolarHBondContact CB-O 3.38Å; T128-V173 PolarHBondContact OG1-O 3.45Å; H143-V173 PolarHBondContact O-N 3.12Å; G146-V173 WeakPolarHBondContact O-CG2 3.47Å; V148-V173 HydrophobicContact CG2-CG1 4.38Å; V148-V173 HydrophobicContact CG2-CG2 3.86Å; F169-V173 HydrophobicContact CD2-CG2 4.1Å; C171-V173 PolarHBondContact O-N 3.09Å; V173-L176 HydrophobicContact CG1-CD2 4.15Å; V173-L176 HydrophobicContact CG1-CG 4.19Å; V173-A213 CarbonylContact C-O 3.49Å; V173-A213 WeakPolarHBondContact CA-O 3.44Å; V173-A213 VanDerWaalsContact CG1-O 3.26Å; V173-A213 WeakPolarHBondContact CG1-O 3.31Å
174T91.2Very high85.1Confident7 Ų753.9 Ų53.94%0.04327%0.272CS..EExtended strand (participates in β ladder)trans-105.2-19.6-174.353.60000113.4P172 A213 E215 V240 P242P172-T174 PolarHBondContact O-N 3.36Å; T174-A213 PolarHBondContact N-O 3.49Å; T174-A213 PolarHBondContact OG1-O 3.27Å; T174-E215 HydrophobicContact CG2-CG 3.55Å; T174-V240 VanDerWaalsContact CB-O 3.27Å; T174-V240 WeakPolarHBondContact CB-O 3.47Å; T174-V240 VanDerWaalsContact CG2-O 3.31Å; T174-V240 WeakPolarHBondContact CG2-O 3.22Å; T174-V240 WeakPolarHBondContact OG1-CG1 3.44Å; T174-V240 PolarHBondContact OG1-O 3.13Å; T174-P242 HydrophobicContact CG2-CG 4.03Å
175G91.2Very high83.2Confident2 Ų259.4 Ų59.42%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-160.7152.1179.300000112A213G175-A213 PolarHBondContact N-O 3.03Å; G175-A213 PolarHBondContact O-N 3.32Å
176L93.7Very high81.1Confident20 Ų2059.4 Ų59.411%0.10529%0.286CS..EExtended strand (participates in β ladder)trans-134.7144.9176.4-74171.3000109.8A131 V140 G142 V148 V173 F211 A212A131-L176 HydrophobicContact CB-CB 3.82Å; V140-L176 HydrophobicContact CB-CD1 4.2Å; V140-L176 HydrophobicContact CG1-CD1 3.8Å; V140-L176 HydrophobicContact CG1-CD2 3.89Å; V140-L176 HydrophobicContact CG1-CG 4.47Å; V140-L176 WeakPolarHBondContact O-CD1 3.42Å; G142-L176 VanDerWaalsContact N-CD1 3.28Å; V148-L176 HydrophobicContact CG1-CD2 4.11Å; V173-L176 HydrophobicContact CG1-CD2 4.15Å; V173-L176 HydrophobicContact CG1-CG 4.19Å; L176-F211 CarbonylContact C-O 3.58Å; L176-F211 WeakPolarHBondContact CA-O 3.42Å; L176-A212 HydrophobicContact CD2-CB 3.75Å
177G92.3Very high79Confident2 Ų265.1 Ų65.12%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-131141.217000000109.4V210 F211G177-V210 CarbonylContact O-C 3.56Å; G177-V210 WeakPolarHBondContact O-CA 3.23Å; G177-F211 PolarHBondContact N-O 3.41Å; G177-F211 PolarHBondContact O-N 3.01Å
178L91.8Very high76.9Confident15 Ų1568.6 Ų68.68%0.07933%0.331CS..EExtended strand (participates in β ladder)trans-133.3131.7178.417860.9000108.5A131 D133 V140 V180 I209 V210A131-L178 HydrophobicContact CB-CB 3.96Å; D133-L178 HydrophobicContact CB-CD2 3.87Å; D133-L178 VanDerWaalsContact N-CD2 3.34Å; V140-L178 HydrophobicContact CG2-CD2 4.44Å; L178-V180 HydrophobicContact CD1-CG2 4.17Å; L178-V180 HydrophobicContact CG-CG2 4.25Å; L178-I209 WeakPolarHBondContact CA-O 3.33Å; L178-V210 HydrophobicContact CD1-CG2 3.95Å
179Y89.1Confident74.6Confident59 Ų5967.6 Ų67.623%0.23133%0.329CS..EExtended strand (participates in β ladder)trans-130.9129.5171.3172.8-108.1000109.8P181 P208 I209 F249 P258Y179-P181 HydrophobicContact CD1-CG 4.12Å; Y179-P181 HydrophobicContact CE1-CB 4.22Å; Y179-P181 HydrophobicContact CE1-CG 3.65Å; Y179-P208 CarbonylContact O-C 3.47Å; Y179-P208 WeakPolarHBondContact O-CA 3.38Å; Y179-I209 HydrophobicContact CD1-CD1 4.32Å; Y179-I209 HydrophobicContact CD1-CG1 4.48Å; Y179-I209 PolarHBondContact N-O 3.44Å; Y179-I209 PolarHBondContact O-N 2.82Å; Y179-F249 AromaticContact CD2-CD1 3.88Å; Y179-F249 HydrophobicContact CD2-CD1 3.88Å; Y179-F249 AromaticContact CD2-CE1 3.67Å; Y179-F249 HydrophobicContact CD2-CE1 3.67Å; Y179-F249 HydrophobicContact CE2-CD1 4.27Å; Y179-F249 HydrophobicContact CE2-CE1 4.48Å; Y179-F249 HydrophobicContact CG-CE1 4.48Å; Y179-P258 HydrophobicContact CD1-CB 4.3Å; Y179-P258 HydrophobicContact CD1-CG 3.4Å; Y179-P258 VanDerWaalsContact CD1-CG 3.4Å; Y179-P258 HydrophobicContact CD2-CB 3.82Å; Y179-P258 HydrophobicContact CD2-CG 3.83Å; Y179-P258 HydrophobicContact CE1-CG 3.65Å; Y179-P258 HydrophobicContact CE2-CB 4.16Å; Y179-P258 HydrophobicContact CE2-CG 4.09Å; Y179-P258 HydrophobicContact CG-CB 3.85Å; Y179-P258 HydrophobicContact CG-CG 3.44Å; Y179-P258 VanDerWaalsContact CG-CG 3.44Å
180V86.2Confident72.5Confident32 Ų3274.4 Ų74.419%0.19436%0.359CS..  trans-123.1112.6176.8-175.20000107.4D133 Y138 L178 P208D133-V180 HydrophobicContact CB-CG2 3.74Å; D133-V180 VanDerWaalsContact CG-CG2 3.43Å; D133-V180 WeakPolarHBondContact OD1-CB 3.41Å; D133-V180 WeakPolarHBondContact OD1-CG2 3.39Å; Y138-V180 HydrophobicContact CD2-CG1 4.39Å; Y138-V180 HydrophobicContact CD2-CG2 3.89Å; Y138-V180 HydrophobicContact CE2-CG1 4.38Å; L178-V180 HydrophobicContact CD1-CG2 4.17Å; L178-V180 HydrophobicContact CG-CG2 4.25Å; V180-P208 HydrophobicContact CG1-CG 4.29Å; V180-P208 HydrophobicContact CG2-CB 4.25Å
181P77.5Confident70.4Confident8 Ų874.6 Ų74.65%0.05236%0.355CS..  trans-63.7135.3178.7-17.527.3000111.7Y179 H183Y179-P181 HydrophobicContact CD1-CG 4.12Å; Y179-P181 HydrophobicContact CE1-CB 4.22Å; Y179-P181 HydrophobicContact CE1-CG 3.65Å; P181-H183 PolarHBondContact O-N 3.47Å; P181-H183 VanDerWaalsContact O-N 3.15Å
182N67.5Low68.2Low129 Ų12980.5 Ų80.569%0.6938%0.381SS*.  trans-72.3105174.7-95.9-25.5000111H184N182-H184 VanDerWaalsContact C-N 3.27Å; N182-H184 PolarHBondContact O-N 3.3Å
183H58.5Low65.6Low122 Ų12285.7 Ų85.757%0.56541%0.407SS*.Hα-helixtrans-65-25.9-179.6-78.1-59.6000114.3P181 Y185P181-H183 PolarHBondContact O-N 3.47Å; P181-H183 VanDerWaalsContact O-N 3.15Å; H183-Y185 PolarHBondContact O-N 3.46Å
184H49.2Very low62.9Low163 Ų16397 Ų9776%0.75545%0.451SS*.Hα-helixtrans-68.8-33.5-174.3-90-60000114N182N182-H184 VanDerWaalsContact C-N 3.27Å; N182-H184 PolarHBondContact O-N 3.3Å
185Y48Very low60.3Low162 Ų16299.4 Ų99.464%0.63548%0.477SS*.Hα-helixtrans-74.7-36.8-176.5-130.8-92000112.4H183 Q187 Q188 N189H183-Y185 PolarHBondContact O-N 3.46Å; Y185-Q187 PolarHBondContact O-N 3.41Å; Y185-Q188 PolarHBondContact O-N 3.24Å; Y185-N189 PolarHBondContact O-N 3.35Å
186H46.8Very low57.7Low84 Ų84107 Ų10739%0.38952%0.517SS..Hα-helixtrans-76.5-20.1-178.1-75.4-64.1000114.5K190H186-K190 WeakPolarHBondContact O-CG 3.17Å; H186-K190 PolarHBondContact O-N 2.95Å
187Q45.7Very low55Low137 Ų137111.5 Ų111.564%0.6455%0.55SS*.Hα-helixtrans-72.8-33.9174.7-77.5-174-3.400112.3Y185Y185-Q187 PolarHBondContact O-N 3.41Å
188Q45.1Very low52.3Low145 Ų145119.1 Ų119.168%0.67859%0.59SS**Hα-helixtrans-69.5-41174.9-71.5-178.3-5.200111.4Y185 K190 Q191Y185-Q188 PolarHBondContact O-N 3.24Å; Q188-K190 VanDerWaalsContact C-N 3.3Å; Q188-K190 PolarHBondContact O-N 3.48Å; Q188-Q191 PolarHBondContact O-N 2.99Å
189N44.1Very low49.6Very low97 Ų97125.4 Ų125.452%0.51962%0.623SS.*Hα-helixtrans-74.3-15.5178.8-73-5.3000114.5Y185 Q191Y185-N189 PolarHBondContact O-N 3.35Å; N189-Q191 VanDerWaalsContact C-N 3.26Å; N189-Q191 PolarHBondContact O-N 3.41Å
190K44.6Very low47.2Very low153 Ų153126.9 Ų126.967%0.66564%0.642SS**THydrogen-bonded Turntrans-72.1-17.2174.9-89.7-177.3177.9-176.50113.7H186 Q188H186-K190 WeakPolarHBondContact O-CG 3.17Å; H186-K190 PolarHBondContact O-N 2.95Å; Q188-K190 VanDerWaalsContact C-N 3.3Å; Q188-K190 PolarHBondContact O-N 3.48Å
191Q45.2Very low45Very low175 Ų175131.9 Ų131.982%0.81867%0.668SS**THydrogen-bonded Turntrans-82.1-14180-72.8-176.6-6.600113.8Q188 N189Q188-Q191 PolarHBondContact O-N 2.99Å; N189-Q191 VanDerWaalsContact C-N 3.26Å; N189-Q191 PolarHBondContact O-N 3.41Å
192Q42.1Very low43.2Very low144 Ų144137.7 Ų137.767%0.67370%0.697SS**THydrogen-bonded Turntrans-108.7-4.3-176.3-73-174.5-2.800116.1
193N36.3Very low42.4Very low143 Ų143135.6 Ų135.677%0.76569%0.686SS**  trans-119.670.6-179.9-87.3-15.9000112.3
194Y35.2Very low42.3Very low239 Ų239134.1 Ų134.194%0.93768%0.679SS**  trans-100.777.7160.3-105.2-89.2000108.9
195G36.2Very low42.8Very low56 Ų56127.5 Ų127.558%0.57765%0.651SS**SBendtrans-179124.5174.600000109.4
196N36.3Very low43.9Very low161 Ų161124.2 Ų124.286%0.86164%0.64SS**  trans8365.9-178.1-56.3-21.4000116.3D198N196-D198 VanDerWaalsContact C-N 3.25Å; N196-D198 PolarHBondContact O-N 2.94Å; N196-D198 VanDerWaalsContact O-N 3.12Å
197S36.9Very low45.6Very low115 Ų115121.8 Ų121.880%0.80463%0.63SS**THydrogen-bonded Turntrans-7771.5156.659.30000110.5
198D37.1Very low47.6Very low162 Ų162115.8 Ų115.887%0.86660%0.603SS**THydrogen-bonded Turntrans-161.216.6163.6-96.1-23.1000114.1N196N196-D198 VanDerWaalsContact C-N 3.25Å; N196-D198 PolarHBondContact O-N 2.94Å; N196-D198 VanDerWaalsContact O-N 3.12Å
199L34.9Very low49.8Very low148 Ų148109 Ų10978%0.77557%0.571SS**SBendtrans-102.9102158.9-128.973.5000107N201L199-N201 VanDerWaalsContact C-N 3.33Å; L199-N201 PolarHBondContact O-N 3.31Å
200S38.4Very low52.2Low90 Ų90104.4 Ų104.463%0.62955%0.547SS*.  trans-49.4103.1164.151.90000107.8I202S200-I202 WeakPolarHBondContact O-CG1 3.43Å; S200-I202 PolarHBondContact O-N 3.48Å
201N38.9Very low54.5Low137 Ų13797.1 Ų97.173%0.73352%0.515SS*.  trans-63.480.9169.5-83.7-24.6000107.3L199 N203L199-N201 VanDerWaalsContact C-N 3.33Å; L199-N201 PolarHBondContact O-N 3.31Å; N201-N203 PolarHBondContact O-N 2.92Å
202I39.9Very low56.9Low129 Ų12988.8 Ų88.866%0.66248%0.476SS*.THydrogen-bonded Turntrans-63.9114.6179.8-71.6154.8000106.9S200S200-I202 WeakPolarHBondContact O-CG1 3.43Å; S200-I202 PolarHBondContact O-N 3.48Å
203N50.2Low59.4Low86 Ų8681.9 Ų81.946%0.4644%0.444SS..THydrogen-bonded Turntrans80.414.3158.1-61.1-3.6000121.2N201 C205 D274N201-N203 PolarHBondContact O-N 2.92Å; N203-C205 PolarHBondContact O-N 3.05Å; N203-D274 PolarHBondContact ND2-OD2 2.84Å
204Q56.9Low62.1Low91 Ų9175.1 Ų75.143%0.42541%0.408SS..  trans-77105.5166.7-76.6-178-3.400111.2F206 G255Q204-F206 HydrophobicContact CB-CE2 4.46Å; Q204-F206 HydrophobicContact CB-CZ 4.28Å; Q204-G255 PolarHBondContact NE2-O 3.24Å; Q204-G255 VanDerWaalsContact NE2-O 3.16Å
205C59.3Low64.6Low23 Ų2368.9 Ų68.916%0.15539%0.387CS..  trans-88.1114.4176.4-179.80000110.5N203 D207 I209 V222 W273N203-C205 PolarHBondContact O-N 3.05Å; C205-D207 VanDerWaalsContact C-N 3.34Å; C205-I209 HydrophobicContact CB-CD1 4.04Å; C205-V222 VanDerWaalsContact SG-CG1 3.51Å; C205-W273 HydrophobicContact CB-CD2 4.31Å; C205-W273 HydrophobicContact CB-CZ2 4.08Å
206F71.4Confident67Low93 Ų9371.8 Ų71.841%0.40839%0.386SS..  trans-880.5179.2-61.1-76.6000114.4Q204Q204-F206 HydrophobicContact CB-CE2 4.46Å; Q204-F206 HydrophobicContact CB-CZ 4.28Å
207D83.2Confident69.6Low34 Ų3465.3 Ų65.318%0.18235%0.353CS..SBendtrans-96.3145.7179.2-71.5-47000109.6C205 I209 V222 L223 K230C205-D207 VanDerWaalsContact C-N 3.34Å; D207-I209 VanDerWaalsContact O-CG1 3.26Å; D207-I209 WeakPolarHBondContact O-CG1 3.27Å; D207-V222 HydrophobicContact CB-CG1 3.48Å; D207-V222 VanDerWaalsContact CB-CG1 3.48Å; D207-L223 WeakPolarHBondContact CB-O 3.34Å; D207-K230 WeakPolarHBondContact OD2-CD 3.3Å; D207-K230 IonicContact OD2-NZ 2.67Å; D207-K230 PolarHBondContact OD2-NZ 2.87Å
208P88.4Confident72.3Confident11 Ų1160 Ų607%0.07132%0.315CS..  trans-56.9143.1176.5-24.333000112.8Y138 Y179 V180 L223Y138-P208 HydrophobicContact CE2-CB 4.35Å; Y138-P208 HydrophobicContact CE2-CG 3.84Å; Y179-P208 CarbonylContact O-C 3.47Å; Y179-P208 WeakPolarHBondContact O-CA 3.38Å; V180-P208 HydrophobicContact CG1-CG 4.29Å; V180-P208 HydrophobicContact CG2-CB 4.25Å; P208-L223 HydrophobicContact CB-CB 4.19Å; P208-L223 HydrophobicContact CB-CD1 4.2Å; P208-L223 HydrophobicContact CB-CG 4.45Å; P208-L223 WeakPolarHBondContact O-CB 3.49Å; P208-L223 PolarHBondContact O-N 3.05Å
209I90.8Very high75Confident1 Ų152.5 Ų52.51%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-125.1126.1-172.4-46.8-179.5000109.6L178 Y179 C205 D207 F211 F221 W273L178-I209 WeakPolarHBondContact CA-O 3.33Å; Y179-I209 HydrophobicContact CD1-CD1 4.32Å; Y179-I209 HydrophobicContact CD1-CG1 4.48Å; Y179-I209 PolarHBondContact N-O 3.44Å; Y179-I209 PolarHBondContact O-N 2.82Å; C205-I209 HydrophobicContact CB-CD1 4.04Å; D207-I209 VanDerWaalsContact O-CG1 3.26Å; D207-I209 WeakPolarHBondContact O-CG1 3.27Å; I209-F211 HydrophobicContact CB-CE2 4.22Å; I209-F211 HydrophobicContact CG2-CD2 4.12Å; I209-F211 HydrophobicContact CG2-CE2 3.56Å; I209-F211 HydrophobicContact CG2-CZ 3.81Å; I209-F221 WeakPolarHBondContact CA-O 3.38Å; I209-W273 HydrophobicContact CD1-CB 3.69Å; I209-W273 HydrophobicContact CD1-CG 3.79Å; I209-W273 HydrophobicContact CG2-CB 3.67Å
210V93.4Very high77.8Confident1 Ų145.5 Ų45.51%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-107123.9172.4-178.10000108.8V140 L166 G177 L178 S220 F221 L223V140-V210 HydrophobicContact CG1-CG1 4.04Å; V140-V210 HydrophobicContact CG2-CG1 4.12Å; V140-V210 HydrophobicContact CG2-CG2 3.95Å; L166-V210 HydrophobicContact CD2-CB 4Å; L166-V210 HydrophobicContact CD2-CG1 3.88Å; L166-V210 HydrophobicContact CD2-CG2 4.14Å; G177-V210 CarbonylContact O-C 3.56Å; G177-V210 WeakPolarHBondContact O-CA 3.23Å; L178-V210 HydrophobicContact CD1-CG2 3.95Å; V210-S220 CarbonylContact O-C 3.57Å; V210-S220 VanDerWaalsContact O-CA 3.25Å; V210-S220 WeakPolarHBondContact O-CA 3.2Å; V210-F221 HydrophobicContact CB-CB 4.31Å; V210-F221 HydrophobicContact CB-CD2 4.31Å; V210-F221 HydrophobicContact CG1-CD2 4.37Å; V210-F221 PolarHBondContact N-O 3.32Å; V210-F221 PolarHBondContact O-N 3.14Å; V210-L223 HydrophobicContact CG2-CD1 3.81Å; V210-L223 HydrophobicContact CG2-CD2 4.28Å; V210-L223 HydrophobicContact CG2-CG 4.15Å
211F94.4Very high80.4Confident0 Ų041.2 Ų41.20%021%0.209CC..EExtended strand (participates in β ladder)trans-98.1132.3167.1-63.9-91.1000108.5L176 G177 I209 M219 L235 M247 F260 W273L176-F211 CarbonylContact C-O 3.58Å; L176-F211 WeakPolarHBondContact CA-O 3.42Å; G177-F211 PolarHBondContact N-O 3.41Å; G177-F211 PolarHBondContact O-N 3.01Å; I209-F211 HydrophobicContact CB-CE2 4.22Å; I209-F211 HydrophobicContact CG2-CD2 4.12Å; I209-F211 HydrophobicContact CG2-CE2 3.56Å; I209-F211 HydrophobicContact CG2-CZ 3.81Å; F211-M219 WeakPolarHBondContact CA-O 3.25Å; F211-L235 HydrophobicContact CD1-CD1 3.64Å; F211-L235 HydrophobicContact CE1-CD1 3.94Å; F211-M247 HydrophobicContact CD2-CE 4.14Å; F211-M247 HydrophobicContact CD2-SD 3.84Å; F211-M247 HydrophobicContact CE2-CE 4.06Å; F211-M247 HydrophobicContact CE2-SD 4.29Å; F211-F260 HydrophobicContact CB-CB 4.2Å; F211-F260 HydrophobicContact CB-CD1 3.89Å; F211-F260 HydrophobicContact CB-CD2 3.87Å; F211-F260 HydrophobicContact CB-CE1 4.14Å; F211-F260 HydrophobicContact CB-CE2 4.12Å; F211-F260 HydrophobicContact CB-CG 3.73Å; F211-F260 HydrophobicContact CB-CZ 4.24Å; F211-F260 HydrophobicContact CD1-CB 3.55Å; F211-F260 HydrophobicContact CD1-CD1 4.12Å; F211-F260 AromaticContact CD1-CG 3.94Å; F211-F260 HydrophobicContact CD1-CG 3.94Å; F211-F260 HydrophobicContact CD2-CB 4.19Å; F211-F260 HydrophobicContact CE1-CB 3.89Å; F211-F260 HydrophobicContact CE2-CB 4.48Å; F211-F260 HydrophobicContact CG-CB 3.72Å; F211-F260 HydrophobicContact CG-CD1 4.25Å; F211-F260 HydrophobicContact CG-CD2 4.24Å; F211-F260 AromaticContact CG-CG 3.83Å; F211-F260 HydrophobicContact CG-CG 3.83Å; F211-F260 HydrophobicContact CZ-CB 4.34Å; F211-W273 HydrophobicContact CE1-CB 4.44Å; F211-W273 HydrophobicContact CZ-CB 4.03Å
212A94.3Very high82.8Confident0 Ų034.7 Ų34.70%017%0.174CC..EExtended strand (participates in β ladder)trans-131.5131.1175.800000110.9V148 F169 L176 M219 F221V148-A212 HydrophobicContact CG2-CB 3.97Å; F169-A212 HydrophobicContact CE2-CB 3.79Å; F169-A212 HydrophobicContact CZ-CB 4.07Å; L176-A212 HydrophobicContact CD2-CB 3.75Å; A212-M219 PolarHBondContact N-O 2.96Å; A212-M219 PolarHBondContact O-N 3.45Å; A212-F221 HydrophobicContact CB-CE2 3.94Å
213A94.2Very high85.2Confident0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-114.1142.1179.100000110.4V173 T174 G175 L218 V240 T245 F260V173-A213 CarbonylContact C-O 3.49Å; V173-A213 WeakPolarHBondContact CA-O 3.44Å; V173-A213 VanDerWaalsContact CG1-O 3.26Å; V173-A213 WeakPolarHBondContact CG1-O 3.31Å; T174-A213 PolarHBondContact N-O 3.49Å; T174-A213 PolarHBondContact OG1-O 3.27Å; G175-A213 PolarHBondContact N-O 3.03Å; G175-A213 PolarHBondContact O-N 3.32Å; A213-L218 HydrophobicContact CB-CD2 3.32Å; A213-V240 HydrophobicContact CB-CG1 3.58Å; A213-T245 HydrophobicContact CB-CG2 4.12Å; A213-F260 HydrophobicContact CB-CE1 4.26Å; A213-F260 HydrophobicContact CB-CZ 4.32Å
214S92.7Very high86.6Confident1 Ų125.5 Ų25.51%0.00713%0.129CC..EExtended strand (participates in β ladder)trans-128.6175.5172.663.50000109.7P172 Q216 S217 G239 V240P172-S214 WeakPolarHBondContact O-CA 3.3Å; P172-S214 WeakPolarHBondContact O-CB 3.44Å; S214-Q216 PolarHBondContact O-N 3.44Å; S214-Q216 VanDerWaalsContact O-N 3.12Å; S214-Q216 PolarHBondContact OG-N 2.78Å; S214-S217 PolarHBondContact N-O 3.38Å; S214-S217 PolarHBondContact OG-N 2.84Å; S214-S217 PolarHBondContact OG-O 2.97Å; S214-S217 PolarHBondContact OG-OG 3.38Å; S214-S217 VanDerWaalsContact OG-OG 3.13Å; S214-G239 CarbonylContact O-C 3.47Å; S214-G239 WeakPolarHBondContact O-CA 3.28Å; S214-V240 PolarHBondContact O-N 3.09Å
215E87.8Confident87.4Confident107 Ų10729.1 Ų29.150%0.515%0.146SC..SBendtrans-64.2-12.5174.5-63.3-173.5159.500114.2C171 P172 T174 G239C171-E215 HydrophobicContact CB-CB 4.2Å; P172-E215 PolarHBondContact O-N 3.12Å; T174-E215 HydrophobicContact CG2-CG 3.55Å; E215-G239 VanDerWaalsContact C-CA 3.45Å; E215-G239 WeakPolarHBondContact O-CA 3.34Å
216Q87.8Confident87.8Confident117 Ų11738.5 Ų38.555%0.54718%0.178SC..SBendtrans-125.9-18.4-179.1-65.5-174.3-7.200115.4C171 S214 R237 F238 G239C171-Q216 PolarHBondContact SG-NE2 2.99Å; S214-Q216 PolarHBondContact O-N 3.44Å; S214-Q216 VanDerWaalsContact O-N 3.12Å; S214-Q216 PolarHBondContact OG-N 2.78Å; Q216-R237 CarbonylContact O-C 3.56Å; Q216-F238 CarbonylContact O-C 3.46Å; Q216-G239 VanDerWaalsContact C-CA 3.49Å; Q216-G239 VanDerWaalsContact C-N 3.26Å; Q216-G239 PolarHBondContact O-N 3.06Å
217S91.1Very high87.5Confident26 Ų2638.7 Ų38.718%0.18218%0.18CC..  trans-157.3158.1-173.360.60000113.5F169 S214 D236F169-S217 WeakPolarHBondContact CD1-OG 3.43Å; F169-S217 VanDerWaalsContact CE1-OG 3.3Å; F169-S217 WeakPolarHBondContact CE1-OG 3.32Å; S214-S217 PolarHBondContact N-O 3.38Å; S214-S217 PolarHBondContact OG-N 2.84Å; S214-S217 PolarHBondContact OG-O 2.97Å; S214-S217 PolarHBondContact OG-OG 3.38Å; S214-S217 VanDerWaalsContact OG-OG 3.13Å; S217-D236 WeakPolarHBondContact CA-O 3.4Å; S217-D236 WeakPolarHBondContact CB-O 3.32Å
218L93.2Very high87Confident2 Ų245.1 Ų45.11%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-120.9133.4178.3-69.8162.9000109.4A213 L235 D236 F260 V262 Y271A213-L218 HydrophobicContact CB-CD2 3.32Å; L218-L235 HydrophobicContact CB-CB 4.03Å; L218-L235 PolarHBondContact O-N 2.95Å; L218-D236 HydrophobicContact CB-CB 4.02Å; L218-D236 HydrophobicContact CD1-CB 3.79Å; L218-D236 HydrophobicContact CG-CB 4.34Å; L218-D236 PolarHBondContact N-O 3.38Å; L218-D236 PolarHBondContact O-N 3.48Å; L218-F260 HydrophobicContact CD2-CE1 3.89Å; L218-V262 HydrophobicContact CD1-CB 4.5Å; L218-V262 HydrophobicContact CD1-CG1 4.14Å; L218-V262 HydrophobicContact CD1-CG2 4.07Å; L218-V262 HydrophobicContact CD2-CG2 4.01Å; L218-Y271 HydrophobicContact CD1-CE1 4.22Å; L218-Y271 HydrophobicContact CD1-CE2 3.74Å
219M93.8Very high86.6Confident6 Ų647.7 Ų47.73%0.0322%0.219CC..EExtended strand (participates in β ladder)trans-136.8152.3-179.7-57.7-158.569.100111.9Y167 F169 F211 A212 F221 K232 T233 V234Y167-M219 HydrophobicContact CD1-SD 4.02Å; Y167-M219 HydrophobicContact CE1-SD 3.47Å; Y167-M219 WeakPolarHBondContact CE1-SD 3.48Å; F169-M219 HydrophobicContact CE1-CB 4.49Å; F169-M219 HydrophobicContact CE1-CG 3.72Å; F169-M219 HydrophobicContact CE1-SD 3.86Å; F169-M219 HydrophobicContact CZ-CB 4.04Å; F169-M219 HydrophobicContact CZ-CG 3.77Å; F169-M219 HydrophobicContact CZ-SD 4.1Å; F211-M219 WeakPolarHBondContact CA-O 3.25Å; A212-M219 PolarHBondContact N-O 2.96Å; A212-M219 PolarHBondContact O-N 3.45Å; M219-F221 HydrophobicContact CB-CE2 3.93Å; M219-F221 HydrophobicContact CB-CZ 3.84Å; M219-F221 HydrophobicContact SD-CZ 4.31Å; M219-K232 HydrophobicContact CE-CD 4.01Å; M219-K232 HydrophobicContact CE-CG 3.62Å; M219-T233 VanDerWaalsContact CA-O 3.28Å; M219-T233 WeakPolarHBondContact CA-O 3.4Å; M219-V234 HydrophobicContact CE-CB 4.4Å; M219-V234 HydrophobicContact CE-CG2 3.5Å; M219-V234 HydrophobicContact SD-CG2 4.45Å
220S93.2Very high86.2Confident0 Ų052.8 Ų52.80%024%0.241CC..EExtended strand (participates in β ladder)trans-119.1150.4167.161.50000110.9V210 K232 T233 W273V210-S220 CarbonylContact O-C 3.57Å; V210-S220 VanDerWaalsContact O-CA 3.25Å; V210-S220 WeakPolarHBondContact O-CA 3.2Å; S220-K232 WeakPolarHBondContact O-CA 3.37Å; S220-T233 PolarHBondContact N-O 2.9Å; S220-T233 PolarHBondContact O-N 3.08Å; S220-T233 WeakPolarHBondContact OG-CB 3.32Å; S220-W273 WeakPolarHBondContact CB-O 3.27Å; S220-W273 PolarHBondContact OG-O 2.91Å
221F92.9Very high85.8Confident0 Ų058.3 Ų58.30%026%0.263CS..EExtended strand (participates in β ladder)trans-133.3116178-50.7-88.1000108.9L166 Y167 I209 V210 A212 M219 L223 I229 Y231 K232L166-F221 HydrophobicContact CD1-CB 4.44Å; L166-F221 HydrophobicContact CD2-CB 4.01Å; L166-F221 HydrophobicContact CD2-CD1 4.47Å; L166-F221 HydrophobicContact CD2-CD2 3.69Å; L166-F221 HydrophobicContact CD2-CE2 4.29Å; L166-F221 HydrophobicContact CD2-CG 3.8Å; L166-F221 HydrophobicContact CG-CB 4.44Å; L166-F221 HydrophobicContact CG-CD1 4.33Å; L166-F221 HydrophobicContact CG-CD2 4.37Å; L166-F221 HydrophobicContact CG-CG 4.13Å; Y167-F221 HydrophobicContact CD1-CE1 4.47Å; Y167-F221 AromaticContact CD1-CZ 3.87Å; Y167-F221 HydrophobicContact CD1-CZ 3.87Å; Y167-F221 HydrophobicContact CD2-CE1 4.44Å; Y167-F221 AromaticContact CG-CE1 3.97Å; Y167-F221 HydrophobicContact CG-CE1 3.97Å; Y167-F221 AromaticContact CG-CZ 3.74Å; Y167-F221 HydrophobicContact CG-CZ 3.74Å; I209-F221 WeakPolarHBondContact CA-O 3.38Å; V210-F221 HydrophobicContact CB-CB 4.31Å; V210-F221 HydrophobicContact CB-CD2 4.31Å; V210-F221 HydrophobicContact CG1-CD2 4.37Å; V210-F221 PolarHBondContact N-O 3.32Å; V210-F221 PolarHBondContact O-N 3.14Å; A212-F221 HydrophobicContact CB-CE2 3.94Å; M219-F221 HydrophobicContact CB-CE2 3.93Å; M219-F221 HydrophobicContact CB-CZ 3.84Å; M219-F221 HydrophobicContact SD-CZ 4.31Å; F221-L223 HydrophobicContact CB-CD2 4.42Å; F221-I229 HydrophobicContact CB-CG2 4.38Å; F221-I229 HydrophobicContact CD1-CD1 4.31Å; F221-I229 HydrophobicContact CD1-CG2 4.37Å; F221-Y231 WeakPolarHBondContact CA-O 3.32Å; F221-K232 HydrophobicContact CD1-CB 4.26Å; F221-K232 HydrophobicContact CD1-CD 4.49Å; F221-K232 HydrophobicContact CD1-CG 3.97Å; F221-K232 HydrophobicContact CE1-CD 3.98Å; F221-K232 HydrophobicContact CE1-CG 3.75Å
222V90.9Very high85.6Confident0 Ų063.2 Ų63.20%028%0.284CS..EExtended strand (participates in β ladder)trans-89117.2172.4-179.40000108.1C205 D207 K230 Y231 W273C205-V222 VanDerWaalsContact SG-CG1 3.51Å; D207-V222 HydrophobicContact CB-CG1 3.48Å; D207-V222 VanDerWaalsContact CB-CG1 3.48Å; V222-K230 HydrophobicContact CG1-CB 4.33Å; V222-K230 HydrophobicContact CG1-CD 4.34Å; V222-K230 WeakPolarHBondContact O-CB 3.41Å; V222-K230 PolarHBondContact O-N 3.29Å; V222-Y231 HydrophobicContact CB-CD2 4.08Å; V222-Y231 HydrophobicContact CG1-CD2 4.24Å; V222-Y231 HydrophobicContact CG2-CD2 4.26Å; V222-Y231 PolarHBondContact N-O 3.43Å; V222-Y231 PolarHBondContact O-N 3.27Å; V222-W273 HydrophobicContact CG2-CD2 4.09Å; V222-W273 HydrophobicContact CG2-CE3 3.45Å; V222-W273 VanDerWaalsContact CG2-CE3 3.45Å; V222-W273 HydrophobicContact CG2-CZ3 3.95Å
223L88.3Confident85.4Confident11 Ų1164.9 Ų64.96%0.05829%0.294CS..EExtended strand (participates in β ladder)trans-87.1113.5-173.9-54.4-174.5000110.2Y138 L150 L166 D207 P208 V210 F221Y138-L223 HydrophobicContact CD1-CD1 4.12Å; Y138-L223 HydrophobicContact CE1-CD1 4.13Å; L150-L223 HydrophobicContact CD1-CD1 4.22Å; L150-L223 HydrophobicContact CD2-CD1 3.96Å; L150-L223 HydrophobicContact CD2-CD2 4.26Å; L166-L223 HydrophobicContact CD1-CD2 3.67Å; D207-L223 WeakPolarHBondContact CB-O 3.34Å; P208-L223 HydrophobicContact CB-CB 4.19Å; P208-L223 HydrophobicContact CB-CD1 4.2Å; P208-L223 HydrophobicContact CB-CG 4.45Å; P208-L223 WeakPolarHBondContact O-CB 3.49Å; P208-L223 PolarHBondContact O-N 3.05Å; V210-L223 HydrophobicContact CG2-CD1 3.81Å; V210-L223 HydrophobicContact CG2-CD2 4.28Å; V210-L223 HydrophobicContact CG2-CG 4.15Å; F221-L223 HydrophobicContact CB-CD2 4.42Å
224G81.6Confident85.3Confident12 Ų1268.8 Ų68.812%0.12432%0.318CS..  trans-82.5-176.7175.400000113.7K228G224-K228 VanDerWaalsContact CA-O 3.3Å; G224-K228 WeakPolarHBondContact CA-O 3.11Å; G224-K228 PolarHBondContact N-O 3.47Å
225Q73.7Confident85.2Confident167 Ų16769.2 Ų69.278%0.7832%0.32SS*.G310 helixtrans-64.1148171.8-64.2-176.11.500111.4E227Q225-E227 VanDerWaalsContact C-N 3.32Å; Q225-E227 PolarHBondContact O-N 3.43Å
226R67.3Low85.3Confident219 Ų21964.5 Ų64.583%0.82630%0.298SS*.G310 helixtrans52.942.3176.4-56.8179.2178.6169.9-0.3114.5K228R226-K228 VanDerWaalsContact C-N 3.25Å; R226-K228 PolarHBondContact O-N 2.99Å
227E64.4Low85.2Confident97 Ų9769 Ų6945%0.45331%0.31SS..G310 helixtrans741.5168.2-53.2149.7-149.200115.8K152 K162 Q225 I229K152-E227 HydrophobicContact CD-CG 4.47Å; K162-E227 WeakPolarHBondContact CD-OE1 3.35Å; K162-E227 WeakPolarHBondContact CE-OE1 3.33Å; K162-E227 WeakPolarHBondContact CE-OE2 3.26Å; K162-E227 IonicContact NZ-OE1 3.8Å; K162-E227 PolarHBondContact NZ-OE1 2.92Å; K162-E227 IonicContact NZ-OE2 3.94Å; K162-E227 PolarHBondContact NZ-OE2 3.18Å; Q225-E227 VanDerWaalsContact C-N 3.32Å; Q225-E227 PolarHBondContact O-N 3.43Å; E227-I229 PolarHBondContact O-N 2.86Å
228K72.5Confident84.9Confident169 Ų16974.5 Ų74.574%0.73533%0.331SS*.  trans-78.7125.7174.6-69.5-171177.5-175.70110.1G224 R226 K230G224-K228 VanDerWaalsContact CA-O 3.3Å; G224-K228 WeakPolarHBondContact CA-O 3.11Å; G224-K228 PolarHBondContact N-O 3.47Å; R226-K228 VanDerWaalsContact C-N 3.25Å; R226-K228 PolarHBondContact O-N 2.99Å; K228-K230 PolarHBondContact O-N 3.02Å
229I81.2Confident84.4Confident65 Ų6575.6 Ų75.633%0.33334%0.343SS..EExtended strand (participates in β ladder)trans-64.1116.7166-56.6172.8000106.6L166 F221 E227 Y231 K232L166-I229 HydrophobicContact CD1-CD1 3.63Å; L166-I229 HydrophobicContact CD1-CG1 3.74Å; L166-I229 HydrophobicContact CG-CD1 4.25Å; L166-I229 WeakPolarHBondContact O-CD1 3.34Å; F221-I229 HydrophobicContact CB-CG2 4.38Å; F221-I229 HydrophobicContact CD1-CD1 4.31Å; F221-I229 HydrophobicContact CD1-CG2 4.37Å; E227-I229 PolarHBondContact O-N 2.86Å; I229-Y231 VanDerWaalsContact CG2-O 3.23Å; I229-Y231 WeakPolarHBondContact CG2-O 3.43Å; I229-K232 HydrophobicContact CG2-CB 4.29Å
230K82.3Confident84.1Confident108 Ų10875.6 Ų75.647%0.4734%0.343SS..EExtended strand (participates in β ladder)trans-76.2-47-179.6-169.8-175.2-173.3-1790110.2D207 V222 K228D207-K230 WeakPolarHBondContact OD2-CD 3.3Å; D207-K230 IonicContact OD2-NZ 2.67Å; D207-K230 PolarHBondContact OD2-NZ 2.87Å; V222-K230 HydrophobicContact CG1-CB 4.33Å; V222-K230 HydrophobicContact CG1-CD 4.34Å; V222-K230 WeakPolarHBondContact O-CB 3.41Å; V222-K230 PolarHBondContact O-N 3.29Å; K228-K230 PolarHBondContact O-N 3.02Å
231Y85.2Confident83.7Confident117 Ų11782.2 Ų82.246%0.45937%0.368SS..EExtended strand (participates in β ladder)trans-135.9139.8177.5-57-64.7000110.4F221 V222 I229 W273F221-Y231 WeakPolarHBondContact CA-O 3.32Å; V222-Y231 HydrophobicContact CB-CD2 4.08Å; V222-Y231 HydrophobicContact CG1-CD2 4.24Å; V222-Y231 HydrophobicContact CG2-CD2 4.26Å; V222-Y231 PolarHBondContact N-O 3.43Å; V222-Y231 PolarHBondContact O-N 3.27Å; I229-Y231 VanDerWaalsContact CG2-O 3.23Å; I229-Y231 WeakPolarHBondContact CG2-O 3.43Å; Y231-W273 HydrophobicContact CD2-CH2 4.48Å; Y231-W273 HydrophobicContact CD2-CZ3 4.06Å; Y231-W273 HydrophobicContact CG-CZ3 4.44Å
232K89.7Confident83.3Confident104 Ų10485.2 Ų85.245%0.45239%0.388SS..EExtended strand (participates in β ladder)trans-124.9114.6171.6172.8-178.4170.1-1720107Y167 M219 S220 F221 I229Y167-K232 VanDerWaalsContact CZ-NZ 3.32Å; Y167-K232 PolarHBondContact OH-NZ 3.22Å; M219-K232 HydrophobicContact CE-CD 4.01Å; M219-K232 HydrophobicContact CE-CG 3.62Å; S220-K232 WeakPolarHBondContact O-CA 3.37Å; F221-K232 HydrophobicContact CD1-CB 4.26Å; F221-K232 HydrophobicContact CD1-CD 4.49Å; F221-K232 HydrophobicContact CD1-CG 3.97Å; F221-K232 HydrophobicContact CE1-CD 3.98Å; F221-K232 HydrophobicContact CE1-CG 3.75Å; I229-K232 HydrophobicContact CG2-CB 4.29Å
233T90.7Very high82.8Confident35 Ų3589.4 Ų89.422%0.21541%0.407CS..EExtended strand (participates in β ladder)trans-118.8132.5-175.7-47.80000109.5M219 S220 L235M219-T233 VanDerWaalsContact CA-O 3.28Å; M219-T233 WeakPolarHBondContact CA-O 3.4Å; S220-T233 PolarHBondContact N-O 2.9Å; S220-T233 PolarHBondContact O-N 3.08Å; S220-T233 WeakPolarHBondContact OG-CB 3.32Å; T233-L235 HydrophobicContact CG2-CD2 4.4Å; T233-L235 PolarHBondContact O-N 2.77Å
234V91.6Very high82.9Confident82 Ų8289 Ų8950%0.49741%0.405SS..EExtended strand (participates in β ladder)trans-83.5109.3168179.70000106.7M219 R237M219-V234 HydrophobicContact CE-CB 4.4Å; M219-V234 HydrophobicContact CE-CG2 3.5Å; M219-V234 HydrophobicContact SD-CG2 4.45Å; V234-R237 HydrophobicContact CG1-CG 4.24Å
235L90.5Very high83.3Confident9 Ų989.4 Ų89.45%0.04741%0.405CS..EExtended strand (participates in β ladder)trans-77.7-40.7-179.9-63178.3000111F211 L218 T233 Y271 N272F211-L235 HydrophobicContact CD1-CD1 3.64Å; F211-L235 HydrophobicContact CE1-CD1 3.94Å; L218-L235 HydrophobicContact CB-CB 4.03Å; L218-L235 PolarHBondContact O-N 2.95Å; T233-L235 HydrophobicContact CG2-CD2 4.4Å; T233-L235 PolarHBondContact O-N 2.77Å; L235-Y271 HydrophobicContact CB-CD1 3.7Å; L235-Y271 HydrophobicContact CB-CE1 4.07Å; L235-Y271 HydrophobicContact CB-CG 4.46Å; L235-Y271 HydrophobicContact CD1-CD1 4.36Å; L235-Y271 HydrophobicContact CD1-CG 4.36Å; L235-Y271 HydrophobicContact CG-CD1 4.46Å; L235-N272 WeakPolarHBondContact CD2-O 3.45Å
236D89.6Confident84.1Confident9 Ų982.3 Ų82.35%0.04837%0.373CS..EExtended strand (participates in β ladder)trans-155157.2176.4-147.3-27.4000112.7S217 L218 F238 Y271 R276S217-D236 WeakPolarHBondContact CA-O 3.4Å; S217-D236 WeakPolarHBondContact CB-O 3.32Å; L218-D236 HydrophobicContact CB-CB 4.02Å; L218-D236 HydrophobicContact CD1-CB 3.79Å; L218-D236 HydrophobicContact CG-CB 4.34Å; L218-D236 PolarHBondContact N-O 3.38Å; L218-D236 PolarHBondContact O-N 3.48Å; D236-F238 VanDerWaalsContact OD1-CD2 3.23Å; D236-F238 WeakPolarHBondContact OD1-CD2 3.4Å; D236-F238 PolarHBondContact OD1-N 2.99Å; D236-Y271 HydrophobicContact CB-CE1 3.95Å; D236-Y271 PolarHBondContact OD2-OH 3.28Å; D236-R276 IonicContact OD1-CZ 3.29Å; D236-R276 IonicContact OD1-NE 3.7Å; D236-R276 IonicContact OD1-NH2 2.76Å; D236-R276 PolarHBondContact OD1-NH2 3.11Å; D236-R276 IonicContact OD2-CZ 2.75Å; D236-R276 IonicContact OD2-NE 3.34Å; D236-R276 PolarHBondContact OD2-NE 3.45Å; D236-R276 IonicContact OD2-NH1 3.57Å; D236-R276 IonicContact OD2-NH2 3.61Å; D236-R276 PolarHBondContact OD2-NH2 2.64Å
237R86.4Confident85.2Confident211 Ų21173 Ų7380%0.79634%0.339SS*.SBendtrans-106.213.5171.4-55.7-175.3-176.6-168.31.1112.7Q216 V234Q216-R237 CarbonylContact O-C 3.56Å; V234-R237 HydrophobicContact CG1-CG 4.24Å
238F84.2Confident86.2Confident142 Ų14268.6 Ų68.662%0.62332%0.319SS*.SBendtrans-105.1135.8162.8-57.8-71.1000107.9Q216 D236Q216-F238 CarbonylContact O-C 3.46Å; D236-F238 VanDerWaalsContact OD1-CD2 3.23Å; D236-F238 WeakPolarHBondContact OD1-CD2 3.4Å; D236-F238 PolarHBondContact OD1-N 2.99Å
239G83.4Confident86.4Confident24 Ų2465.7 Ų65.725%0.24731%0.306CS..  trans-95.1179.9176.500000112.9S214 E215 Q216S214-G239 CarbonylContact O-C 3.47Å; S214-G239 WeakPolarHBondContact O-CA 3.28Å; E215-G239 VanDerWaalsContact C-CA 3.45Å; E215-G239 WeakPolarHBondContact O-CA 3.34Å; Q216-G239 VanDerWaalsContact C-CA 3.49Å; Q216-G239 VanDerWaalsContact C-N 3.26Å; Q216-G239 PolarHBondContact O-N 3.06Å
240V87.6Confident85.7Confident7 Ų764.1 Ų64.14%0.04230%0.3CS..  trans-135.2149.3-174.670.70000110T174 A213 S214 C244 T245 V262T174-V240 VanDerWaalsContact CB-O 3.27Å; T174-V240 WeakPolarHBondContact CB-O 3.47Å; T174-V240 VanDerWaalsContact CG2-O 3.31Å; T174-V240 WeakPolarHBondContact CG2-O 3.22Å; T174-V240 WeakPolarHBondContact OG1-CG1 3.44Å; T174-V240 PolarHBondContact OG1-O 3.13Å; A213-V240 HydrophobicContact CB-CG1 3.58Å; S214-V240 PolarHBondContact O-N 3.09Å; V240-C244 HydrophobicContact CG2-CB 3.47Å; V240-C244 VanDerWaalsContact CG2-CB 3.47Å; V240-T245 HydrophobicContact CB-CG2 4.5Å; V240-T245 HydrophobicContact CG1-CG2 3.59Å; V240-T245 HydrophobicContact CG2-CG2 4.27Å; V240-V262 HydrophobicContact CB-CG1 3.65Å; V240-V262 HydrophobicContact CG1-CG1 4.14Å; V240-V262 HydrophobicContact CG2-CG1 3.48Å; V240-V262 VanDerWaalsContact CG2-CG1 3.48Å
241R84.3Confident84.3Confident139 Ų13963.6 Ų63.653%0.52530%0.302SS..  trans-67.2155.7171.7-74.6-179.7166.8174.3-3.8111.7C244 E285R241-C244 WeakPolarHBondContact O-CB 3.4Å; R241-C244 PolarHBondContact O-N 3.05Å; R241-E285 IonicContact CZ-OE1 2.72Å; R241-E285 VanDerWaalsContact CZ-OE1 3.3Å; R241-E285 IonicContact NH1-OE1 3.55Å; R241-E285 PolarHBondContact NH1-OE1 2.85Å; R241-E285 IonicContact NH2-OE1 3.05Å; R241-E285 PolarHBondContact NH2-OE1 3.08Å
242P83.2Confident82.5Confident63 Ų6365 Ų6541%0.40932%0.318SS..THydrogen-bonded Turntrans-51.9148.7168.7-24.834.3000112.1T174 C244T174-P242 HydrophobicContact CG2-CG 4.03Å; P242-C244 PolarHBondContact O-N 3.18Å; P242-C244 VanDerWaalsContact O-N 3.09Å
243H81.9Confident80.3Confident88 Ų8866.8 Ų66.841%0.40733%0.331SS..THydrogen-bonded Turntrans65.6-2.2-179.6-51.7-70.9000116.9T245 A288 L289H243-T245 VanDerWaalsContact C-N 3.28Å; H243-T245 PolarHBondContact O-N 3.25Å; H243-A288 HydrophobicContact CB-CB 3.98Å; H243-A288 CarbonylContact O-C 3.44Å; H243-A288 VanDerWaalsContact O-CA 3.23Å; H243-A288 WeakPolarHBondContact O-CA 3.32Å; H243-L289 PolarHBondContact O-N 3.4Å
244C89Confident78.2Confident1 Ų169.7 Ų69.71%0.00735%0.349CS..  trans-91.726.3179.4-74.70000113.4V240 R241 P242 A263 I287V240-C244 HydrophobicContact CG2-CB 3.47Å; V240-C244 VanDerWaalsContact CG2-CB 3.47Å; R241-C244 WeakPolarHBondContact O-CB 3.4Å; R241-C244 PolarHBondContact O-N 3.05Å; P242-C244 PolarHBondContact O-N 3.18Å; P242-C244 VanDerWaalsContact O-N 3.09Å; C244-A263 HydrophobicContact CB-CB 4.15Å; C244-A263 WeakPolarHBondContact CB-O 3.27Å; C244-A263 PolarHBondContact O-N 3.25Å; C244-I287 PolarHBondContact SG-O 2.79Å
245T91.5Very high76.1Confident21 Ų2167.7 Ų67.713%0.12934%0.344CS..EExtended strand (participates in β ladder)trans-136.2141.6-178.760.50000111.5A213 V240 H243 F260 A261 V262A213-T245 HydrophobicContact CB-CG2 4.12Å; V240-T245 HydrophobicContact CB-CG2 4.5Å; V240-T245 HydrophobicContact CG1-CG2 3.59Å; V240-T245 HydrophobicContact CG2-CG2 4.27Å; H243-T245 VanDerWaalsContact C-N 3.28Å; H243-T245 PolarHBondContact O-N 3.25Å; T245-F260 HydrophobicContact CG2-CE1 4.18Å; T245-F260 HydrophobicContact CG2-CZ 3.73Å; T245-A261 VanDerWaalsContact CA-O 3.3Å; T245-A261 WeakPolarHBondContact CA-O 3.29Å; T245-V262 HydrophobicContact CG2-CG1 4.33Å; T245-V262 HydrophobicContact CG2-CG2 4.27Å
246T90.5Very high74.3Confident19 Ų1969.7 Ų69.712%0.11736%0.362CS..EExtended strand (participates in β ladder)trans-151.8157.9174-172.40000111.5A261 L289 T291 L296T246-A261 HydrophobicContact CG2-CB 4.02Å; T246-A261 PolarHBondContact N-O 3.18Å; T246-A261 PolarHBondContact O-N 2.91Å; T246-L289 HydrophobicContact CG2-CD2 3.8Å; T246-L289 HydrophobicContact CG2-CG 3.81Å; T246-T291 HydrophobicContact CG2-CG2 3.6Å; T246-L296 HydrophobicContact CG2-CD1 4.24Å
247M89.8Confident73.2Confident23 Ų2371.1 Ų71.111%0.11337%0.373CS..EExtended strand (participates in β ladder)trans-94130.6175.5-73.8-65.5-61.100110F211 F249 P258 F260F211-M247 HydrophobicContact CD2-CE 4.14Å; F211-M247 HydrophobicContact CD2-SD 3.84Å; F211-M247 HydrophobicContact CE2-CE 4.06Å; F211-M247 HydrophobicContact CE2-SD 4.29Å; M247-F249 HydrophobicContact CB-CE1 4.27Å; M247-F249 HydrophobicContact CB-CE2 3.81Å; M247-F249 HydrophobicContact CB-CZ 3.6Å; M247-F249 HydrophobicContact CE-CE1 3.85Å; M247-F249 HydrophobicContact CE-CZ 4.18Å; M247-F249 HydrophobicContact CG-CZ 4.25Å; M247-P258 HydrophobicContact CE-CB 3.85Å; M247-F260 HydrophobicContact CG-CD2 4.36Å; M247-F260 HydrophobicContact SD-CB 4.13Å; M247-F260 HydrophobicContact SD-CD2 3.56Å; M247-F260 VanDerWaalsContact SD-CD2 3.56Å; M247-F260 HydrophobicContact SD-CE2 4.45Å; M247-F260 HydrophobicContact SD-CG 4.3Å
248I86Confident73Confident4 Ų461.3 Ų61.32%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-107.6118.5172.2-59.5177.9000108Q259 A261 F270 T291 L296 Y374I248-Q259 HydrophobicContact CB-CB 4.48Å; I248-Q259 PolarHBondContact N-O 3.43Å; I248-Q259 PolarHBondContact O-N 3.03Å; I248-A261 HydrophobicContact CD1-CB 3.78Å; I248-A261 HydrophobicContact CG1-CB 4.16Å; I248-F270 HydrophobicContact CD1-CD1 3.83Å; I248-F270 HydrophobicContact CD1-CE1 3.39Å; I248-F270 HydrophobicContact CD1-CZ 4.45Å; I248-T291 HydrophobicContact CD1-CG2 4.46Å; I248-T291 HydrophobicContact CG1-CG2 3.86Å; I248-L296 HydrophobicContact CD1-CD1 4.4Å; I248-Y374 HydrophobicContact CG2-CE1 4.46Å; I248-Y374 HydrophobicContact CG2-CE2 4.03Å
249F77.1Confident73.1Confident108 Ų10856.5 Ų56.547%0.47432%0.316SS..PPolyproline II helixtrans-98.9123.6170.9-52.4-72.1000106.9Y179 M247 P258Y179-F249 AromaticContact CD2-CD1 3.88Å; Y179-F249 HydrophobicContact CD2-CD1 3.88Å; Y179-F249 AromaticContact CD2-CE1 3.67Å; Y179-F249 HydrophobicContact CD2-CE1 3.67Å; Y179-F249 HydrophobicContact CE2-CD1 4.27Å; Y179-F249 HydrophobicContact CE2-CE1 4.48Å; Y179-F249 HydrophobicContact CG-CE1 4.48Å; M247-F249 HydrophobicContact CB-CE1 4.27Å; M247-F249 HydrophobicContact CB-CE2 3.81Å; M247-F249 HydrophobicContact CB-CZ 3.6Å; M247-F249 HydrophobicContact CE-CE1 3.85Å; M247-F249 HydrophobicContact CE-CZ 4.18Å; M247-F249 HydrophobicContact CG-CZ 4.25Å; F249-P258 HydrophobicContact CD1-CB 4.1Å; F249-P258 HydrophobicContact CE1-CB 4.31Å
250T64.5Low73.6Confident33 Ų3355.4 Ų55.420%0.20230%0.304CS..PPolyproline II helixtrans-90.5146.9175430000108.4D252 A256T250-D252 PolarHBondContact O-N 3.29Å; T250-A256 WeakPolarHBondContact OG1-CB 3.46Å; T250-A256 PolarHBondContact OG1-O 2.77Å
251D54.6Low73.8Confident97 Ų9755 Ų5552%0.51930%0.302SS..PPolyproline II helixtrans-55.2134.8-175.4-69.5-38.8000111.7I253 T254D251-I253 PolarHBondContact O-N 3.44Å; D251-T254 PolarHBondContact O-N 3.47Å; D251-T254 PolarHBondContact O-OG1 3.35Å
252D46.8Very low74.1Confident147 Ų14748.4 Ų48.479%0.78628%0.277SS*.G310 helixtrans-51.7-26.6-175.6-66.3-35.4000113.2T250 T254 G255T250-D252 PolarHBondContact O-N 3.29Å; D252-T254 VanDerWaalsContact C-N 3.26Å; D252-T254 PolarHBondContact O-N 3.04Å; D252-G255 PolarHBondContact O-N 3.45Å
253I43.3Very low74.5Confident141 Ų14145.6 Ų45.672%0.72326%0.259SS*.G310 helixtrans-60.7-34.5179.4-52.6173.2000111.6D251 G255D251-I253 PolarHBondContact O-N 3.44Å; I253-G255 VanDerWaalsContact C-N 3.35Å
254T47.2Very low74.8Confident96 Ų9642.6 Ų42.659%0.58925%0.248SC*.G310 helixtrans-84.8-9.5-176.860.60000113.4D251 D252 A256D251-T254 PolarHBondContact O-N 3.47Å; D251-T254 PolarHBondContact O-OG1 3.35Å; D252-T254 VanDerWaalsContact C-N 3.26Å; D252-T254 PolarHBondContact O-N 3.04Å; T254-A256 PolarHBondContact O-N 3.47Å; T254-A256 VanDerWaalsContact O-N 3.1Å
255G46.4Very low74.5Confident39 Ų3946.6 Ų46.640%0.40228%0.276SS..THydrogen-bonded Turntrans59.717.3-176.600000114.1Q204 D252 I253Q204-G255 PolarHBondContact NE2-O 3.24Å; Q204-G255 VanDerWaalsContact NE2-O 3.16Å; D252-G255 PolarHBondContact O-N 3.45Å; I253-G255 VanDerWaalsContact C-N 3.35Å
256A53.9Low74.3Confident51 Ų5148.8 Ų48.842%0.42129%0.287SS..PPolyproline II helixtrans-79.9139.9-176.400000111.2T250 T254T250-A256 WeakPolarHBondContact OG1-CB 3.46Å; T250-A256 PolarHBondContact OG1-O 2.77Å; T254-A256 PolarHBondContact O-N 3.47Å; T254-A256 VanDerWaalsContact O-N 3.1Å
257S66.6Low74.2Confident39 Ų3948.1 Ų48.127%0.27328%0.283SS..PPolyproline II helixtrans-68.6150.2179.455.50000111.3
258P80.7Confident74.2Confident6 Ų647 Ų474%0.03928%0.278CS..PPolyproline II helixtrans-58146.5172.833.3-44.5000110.9Y179 M247 F249Y179-P258 HydrophobicContact CD1-CB 4.3Å; Y179-P258 HydrophobicContact CD1-CG 3.4Å; Y179-P258 VanDerWaalsContact CD1-CG 3.4Å; Y179-P258 HydrophobicContact CD2-CB 3.82Å; Y179-P258 HydrophobicContact CD2-CG 3.83Å; Y179-P258 HydrophobicContact CE1-CG 3.65Å; Y179-P258 HydrophobicContact CE2-CB 4.16Å; Y179-P258 HydrophobicContact CE2-CG 4.09Å; Y179-P258 HydrophobicContact CG-CB 3.85Å; Y179-P258 HydrophobicContact CG-CG 3.44Å; Y179-P258 VanDerWaalsContact CG-CG 3.44Å; M247-P258 HydrophobicContact CE-CB 3.85Å; F249-P258 HydrophobicContact CD1-CB 4.1Å; F249-P258 HydrophobicContact CE1-CB 4.31Å
259Q88Confident74.5Confident40 Ų4049.3 Ų49.319%0.18729%0.286CS..EExtended strand (participates in β ladder)trans-118.7135.6177.3-66-175.5-19.100110.5I248 Y271I248-Q259 HydrophobicContact CB-CB 4.48Å; I248-Q259 PolarHBondContact N-O 3.43Å; I248-Q259 PolarHBondContact O-N 3.03Å; Q259-Y271 WeakPolarHBondContact CA-O 3.29Å
260F92.2Very high75.1Confident1 Ų144.8 Ų44.80%0.00427%0.267CS..EExtended strand (participates in β ladder)trans-92.6111.2171.8-173.1-122.1000109F211 A213 L218 T245 M247 V262 Y271F211-F260 HydrophobicContact CB-CB 4.2Å; F211-F260 HydrophobicContact CB-CD1 3.89Å; F211-F260 HydrophobicContact CB-CD2 3.87Å; F211-F260 HydrophobicContact CB-CE1 4.14Å; F211-F260 HydrophobicContact CB-CE2 4.12Å; F211-F260 HydrophobicContact CB-CG 3.73Å; F211-F260 HydrophobicContact CB-CZ 4.24Å; F211-F260 HydrophobicContact CD1-CB 3.55Å; F211-F260 HydrophobicContact CD1-CD1 4.12Å; F211-F260 AromaticContact CD1-CG 3.94Å; F211-F260 HydrophobicContact CD1-CG 3.94Å; F211-F260 HydrophobicContact CD2-CB 4.19Å; F211-F260 HydrophobicContact CE1-CB 3.89Å; F211-F260 HydrophobicContact CE2-CB 4.48Å; F211-F260 HydrophobicContact CG-CB 3.72Å; F211-F260 HydrophobicContact CG-CD1 4.25Å; F211-F260 HydrophobicContact CG-CD2 4.24Å; F211-F260 AromaticContact CG-CG 3.83Å; F211-F260 HydrophobicContact CG-CG 3.83Å; F211-F260 HydrophobicContact CZ-CB 4.34Å; A213-F260 HydrophobicContact CB-CE1 4.26Å; A213-F260 HydrophobicContact CB-CZ 4.32Å; L218-F260 HydrophobicContact CD2-CE1 3.89Å; T245-F260 HydrophobicContact CG2-CE1 4.18Å; T245-F260 HydrophobicContact CG2-CZ 3.73Å; M247-F260 HydrophobicContact CG-CD2 4.36Å; M247-F260 HydrophobicContact SD-CB 4.13Å; M247-F260 HydrophobicContact SD-CD2 3.56Å; M247-F260 VanDerWaalsContact SD-CD2 3.56Å; M247-F260 HydrophobicContact SD-CE2 4.45Å; M247-F260 HydrophobicContact SD-CG 4.3Å; F260-V262 HydrophobicContact CD1-CG2 3.65Å; F260-V262 HydrophobicContact CE1-CG2 3.64Å; F260-Y271 PolarHBondContact N-O 2.92Å; F260-Y271 WeakPolarHBondContact O-CD2 3.44Å; F260-Y271 PolarHBondContact O-N 3.39Å
261A91.9Very high76.3Confident0 Ų043.3 Ų43.30%026%0.257CS..EExtended strand (participates in β ladder)trans-91.1131.9-179.300000110.3T245 T246 I248 V268 Y269 F270 L289T245-A261 VanDerWaalsContact CA-O 3.3Å; T245-A261 WeakPolarHBondContact CA-O 3.29Å; T246-A261 HydrophobicContact CG2-CB 4.02Å; T246-A261 PolarHBondContact N-O 3.18Å; T246-A261 PolarHBondContact O-N 2.91Å; I248-A261 HydrophobicContact CD1-CB 3.78Å; I248-A261 HydrophobicContact CG1-CB 4.16Å; A261-V268 HydrophobicContact CB-CG1 4.41Å; A261-Y269 CarbonylContact C-O 3.53Å; A261-Y269 WeakPolarHBondContact CA-O 3.27Å; A261-F270 HydrophobicContact CB-CD1 3.71Å; A261-F270 HydrophobicContact CB-CE1 3.74Å; A261-L289 HydrophobicContact CB-CD2 3.87Å
262V91.8Very high78Confident0 Ų040.4 Ų40.40%024%0.242CC..EExtended strand (participates in β ladder)trans-130.8119.8-176.7-176.40000109.2L218 V240 T245 F260 V268 Y269 Y271L218-V262 HydrophobicContact CD1-CB 4.5Å; L218-V262 HydrophobicContact CD1-CG1 4.14Å; L218-V262 HydrophobicContact CD1-CG2 4.07Å; L218-V262 HydrophobicContact CD2-CG2 4.01Å; V240-V262 HydrophobicContact CB-CG1 3.65Å; V240-V262 HydrophobicContact CG1-CG1 4.14Å; V240-V262 HydrophobicContact CG2-CG1 3.48Å; V240-V262 VanDerWaalsContact CG2-CG1 3.48Å; T245-V262 HydrophobicContact CG2-CG1 4.33Å; T245-V262 HydrophobicContact CG2-CG2 4.27Å; F260-V262 HydrophobicContact CD1-CG2 3.65Å; F260-V262 HydrophobicContact CE1-CG2 3.64Å; V262-V268 CarbonylContact O-C 3.49Å; V262-V268 WeakPolarHBondContact O-CA 3.43Å; V262-V268 WeakPolarHBondContact O-CG1 3.49Å; V262-Y269 PolarHBondContact N-O 3.44Å; V262-Y269 PolarHBondContact O-N 2.83Å; V262-Y271 HydrophobicContact CB-CD2 4.36Å; V262-Y271 HydrophobicContact CB-CE2 3.87Å; V262-Y271 HydrophobicContact CG2-CD2 3.74Å; V262-Y271 HydrophobicContact CG2-CE2 3.64Å
263A90.4Very high79.8Confident4 Ų435.2 Ų35.23%0.03321%0.211CC..EExtended strand (participates in β ladder)trans-91.4114.1179.700000111.4C244 V268 K286 L289C244-A263 HydrophobicContact CB-CB 4.15Å; C244-A263 WeakPolarHBondContact CB-O 3.27Å; C244-A263 PolarHBondContact O-N 3.25Å; A263-V268 HydrophobicContact CB-CG2 4.18Å; A263-K286 HydrophobicContact CB-CB 4.04Å; A263-K286 HydrophobicContact CB-CG 4.08Å; A263-L289 HydrophobicContact CB-CB 3.97Å; A263-L289 HydrophobicContact CB-CD1 4.06Å; A263-L289 HydrophobicContact CB-CD2 3.91Å; A263-L289 HydrophobicContact CB-CG 4.21Å
264C88.3Confident81.9Confident24 Ų2431.4 Ų31.416%0.16219%0.193CC..  trans-105.7172.1171.4-64.20000110.6D266 A267 Y269 K286C264-D266 WeakPolarHBondContact CB-OD1 3.21Å; C264-D266 PolarHBondContact O-N 3.49Å; C264-A267 WeakPolarHBondContact CA-O 3.14Å; C264-A267 WeakPolarHBondContact CB-O 3.44Å; C264-A267 PolarHBondContact N-O 3.42Å; C264-Y269 HydrophobicContact CB-CD2 4.19Å; C264-Y269 HydrophobicContact CB-CE2 3.95Å; C264-K286 WeakPolarHBondContact O-CG 3.21Å; C264-K286 PolarHBondContact O-NZ 3.24Å; C264-K286 VanDerWaalsContact O-NZ 3.12Å
265S83.6Confident83.7Confident86 Ų8627.8 Ų27.860%0.60117%0.174SC*.SBendtrans-62.3-31.1-178.849.60000113.5D283 G284 K286S265-D283 CarbonylContact O-C 3.49Å; S265-G284 WeakPolarHBondContact CA-O 3.43Å; S265-G284 PolarHBondContact O-N 3Å; S265-K286 PolarHBondContact O-NZ 3.29Å
266D86.1Confident85.6Confident66 Ų6632.3 Ų32.335%0.35318%0.179SC..SBendtrans-93.3-41.1-17760.2-34.7000113.2C264 Y269 T282C264-D266 WeakPolarHBondContact CB-OD1 3.21Å; C264-D266 PolarHBondContact O-N 3.49Å; D266-Y269 PolarHBondContact OD2-OH 2.87Å; D266-T282 CarbonylContact C-O 3.59Å; D266-T282 CarbonylContact O-C 3.55Å; D266-T282 PolarHBondContact O-N 3.36Å; D266-T282 VanDerWaalsContact O-O 3.12Å
267A89Confident87Confident5 Ų531.1 Ų31.14%0.04117%0.172CC..EExtended strand (participates in β ladder)trans-154.9164.8-176.800000112.5C264 Y269 L280C264-A267 WeakPolarHBondContact CA-O 3.14Å; C264-A267 WeakPolarHBondContact CB-O 3.44Å; C264-A267 PolarHBondContact N-O 3.42Å; A267-Y269 HydrophobicContact CB-CD2 4.41Å; A267-Y269 HydrophobicContact CB-CE2 3.9Å; A267-L280 WeakPolarHBondContact CA-O 3.28Å; A267-L280 WeakPolarHBondContact CB-O 3.31Å
268V90.3Very high87.9Confident0 Ų033.2 Ų33.20%019%0.185CC..EExtended strand (participates in β ladder)trans-94.2123.8161.3-173.30000108.5A261 V262 A263 F270 C279 L280 L289 L296 I298A261-V268 HydrophobicContact CB-CG1 4.41Å; V262-V268 CarbonylContact O-C 3.49Å; V262-V268 WeakPolarHBondContact O-CA 3.43Å; V262-V268 WeakPolarHBondContact O-CG1 3.49Å; A263-V268 HydrophobicContact CB-CG2 4.18Å; V268-F270 HydrophobicContact CG1-CE1 4.37Å; V268-F270 HydrophobicContact CG1-CZ 4.38Å; V268-C279 CarbonylContact O-C 3.41Å; V268-C279 VanDerWaalsContact O-CA 3.26Å; V268-C279 WeakPolarHBondContact O-CA 3.32Å; V268-C279 WeakPolarHBondContact O-CB 3.35Å; V268-L280 HydrophobicContact CB-CB 4.29Å; V268-L280 PolarHBondContact N-O 2.93Å; V268-L280 PolarHBondContact O-N 3.31Å; V268-L289 HydrophobicContact CG1-CD2 4.02Å; V268-L289 HydrophobicContact CG2-CD1 4.43Å; V268-L296 HydrophobicContact CB-CD2 4.24Å; V268-L296 HydrophobicContact CG1-CD2 3.88Å; V268-L296 HydrophobicContact CG2-CD2 4.15Å; V268-I298 HydrophobicContact CG2-CD1 3.77Å; V268-I298 HydrophobicContact CG2-CG1 4.37Å
269Y91.1Very high88.2Confident52 Ų5236.6 Ų36.620%0.20421%0.207CC..EExtended strand (participates in β ladder)trans-101.2135.1179.5-66.1-86.3000109.9A261 V262 C264 D266 A267 Y271 C279A261-Y269 CarbonylContact C-O 3.53Å; A261-Y269 WeakPolarHBondContact CA-O 3.27Å; V262-Y269 PolarHBondContact N-O 3.44Å; V262-Y269 PolarHBondContact O-N 2.83Å; C264-Y269 HydrophobicContact CB-CD2 4.19Å; C264-Y269 HydrophobicContact CB-CE2 3.95Å; D266-Y269 PolarHBondContact OD2-OH 2.87Å; A267-Y269 HydrophobicContact CB-CD2 4.41Å; A267-Y269 HydrophobicContact CB-CE2 3.9Å; Y269-Y271 VanDerWaalsContact CB-CE2 3.44Å; Y269-C279 HydrophobicContact CD1-CB 3.67Å; Y269-C279 HydrophobicContact CE1-CB 3.99Å; Y269-C279 HydrophobicContact CG-CB 4.34Å
270F90.7Very high88.1Confident14 Ų1435.6 Ų35.66%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-102.3131.7171.9-56.8-72.2000108.9I248 A261 V268 G277 P278 L280 L296I248-F270 HydrophobicContact CD1-CD1 3.83Å; I248-F270 HydrophobicContact CD1-CE1 3.39Å; I248-F270 HydrophobicContact CD1-CZ 4.45Å; A261-F270 HydrophobicContact CB-CD1 3.71Å; A261-F270 HydrophobicContact CB-CE1 3.74Å; V268-F270 HydrophobicContact CG1-CE1 4.37Å; V268-F270 HydrophobicContact CG1-CZ 4.38Å; F270-G277 CarbonylContact O-C 3.53Å; F270-G277 WeakPolarHBondContact O-CA 3.48Å; F270-G277 PolarHBondContact O-N 3.25Å; F270-P278 WeakPolarHBondContact CB-O 3.42Å; F270-P278 HydrophobicContact CD2-CG 4.26Å; F270-P278 WeakPolarHBondContact CD2-O 3.31Å; F270-P278 PolarHBondContact N-O 2.97Å; F270-L280 HydrophobicContact CE2-CB 4.1Å; F270-L296 HydrophobicContact CE1-CD2 4.41Å; F270-L296 HydrophobicContact CZ-CD2 4.16Å
271Y90.6Very high87.6Confident1 Ų139.8 Ų39.80%0.00424%0.238CC..EExtended strand (participates in β ladder)trans-118135.9179.5-63.3-95.2000110.6L218 L235 D236 Q259 F260 V262 Y269 R276L218-Y271 HydrophobicContact CD1-CE1 4.22Å; L218-Y271 HydrophobicContact CD1-CE2 3.74Å; L235-Y271 HydrophobicContact CB-CD1 3.7Å; L235-Y271 HydrophobicContact CB-CE1 4.07Å; L235-Y271 HydrophobicContact CB-CG 4.46Å; L235-Y271 HydrophobicContact CD1-CD1 4.36Å; L235-Y271 HydrophobicContact CD1-CG 4.36Å; L235-Y271 HydrophobicContact CG-CD1 4.46Å; D236-Y271 HydrophobicContact CB-CE1 3.95Å; D236-Y271 PolarHBondContact OD2-OH 3.28Å; Q259-Y271 WeakPolarHBondContact CA-O 3.29Å; F260-Y271 PolarHBondContact N-O 2.92Å; F260-Y271 WeakPolarHBondContact O-CD2 3.44Å; F260-Y271 PolarHBondContact O-N 3.39Å; V262-Y271 HydrophobicContact CB-CD2 4.36Å; V262-Y271 HydrophobicContact CB-CE2 3.87Å; V262-Y271 HydrophobicContact CG2-CD2 3.74Å; V262-Y271 HydrophobicContact CG2-CE2 3.64Å; Y269-Y271 VanDerWaalsContact CB-CE2 3.44Å; Y271-R276 HydrophobicContact CD1-CB 4.42Å; Y271-R276 HydrophobicContact CD1-CG 3.74Å; Y271-R276 HydrophobicContact CE1-CB 4.45Å; Y271-R276 HydrophobicContact CE1-CG 3.41Å; Y271-R276 VanDerWaalsContact CE1-CG 3.41Å
272N89.5Confident87.2Confident37 Ų3740.4 Ų40.420%0.19824%0.242CC..  trans-87.9172.6162.9-64.3-24.6000108.9L235 D274 G275L235-N272 WeakPolarHBondContact CD2-O 3.45Å; N272-D274 WeakPolarHBondContact CB-OD1 3.41Å; N272-D274 PolarHBondContact O-N 2.91Å; N272-G275 PolarHBondContact N-O 3.39Å; N272-G275 PolarHBondContact O-N 3.39Å; N272-G275 VanDerWaalsContact O-O 3.13Å
273W84.9Confident86.7Confident38 Ų3846.5 Ų46.514%0.14427%0.274CS..SBendtrans-67.4-22.5179.170.3-92.4000113.5C205 I209 F211 S220 V222 Y231C205-W273 HydrophobicContact CB-CD2 4.31Å; C205-W273 HydrophobicContact CB-CZ2 4.08Å; I209-W273 HydrophobicContact CD1-CB 3.69Å; I209-W273 HydrophobicContact CD1-CG 3.79Å; I209-W273 HydrophobicContact CG2-CB 3.67Å; F211-W273 HydrophobicContact CE1-CB 4.44Å; F211-W273 HydrophobicContact CZ-CB 4.03Å; S220-W273 WeakPolarHBondContact CB-O 3.27Å; S220-W273 PolarHBondContact OG-O 2.91Å; V222-W273 HydrophobicContact CG2-CD2 4.09Å; V222-W273 HydrophobicContact CG2-CE3 3.45Å; V222-W273 VanDerWaalsContact CG2-CE3 3.45Å; V222-W273 HydrophobicContact CG2-CZ3 3.95Å; Y231-W273 HydrophobicContact CD2-CH2 4.48Å; Y231-W273 HydrophobicContact CD2-CZ3 4.06Å; Y231-W273 HydrophobicContact CG-CZ3 4.44Å
274D86.2Confident86.2Confident61 Ų6148 Ų4833%0.32629%0.29SS..SBendtrans-100.6-13.9-177.863-24.6000113.5N203 N272N203-D274 PolarHBondContact ND2-OD2 2.84Å; N272-D274 WeakPolarHBondContact CB-OD1 3.41Å; N272-D274 PolarHBondContact O-N 2.91Å
275G86.4Confident86Confident19 Ų1950.6 Ų50.620%0.19630%0.3CS..SBendtrans170.9-166.2-179.300000115.2N272N272-G275 PolarHBondContact N-O 3.39Å; N272-G275 PolarHBondContact O-N 3.39Å; N272-G275 VanDerWaalsContact O-O 3.13Å
276R85.2Confident86.1Confident134 Ų13446.8 Ų46.851%0.50627%0.273SS..EExtended strand (participates in β ladder)trans-76.5131179.6-69.8-174-169.4-175.114.9111.4D236 Y271D236-R276 IonicContact OD1-CZ 3.29Å; D236-R276 IonicContact OD1-NE 3.7Å; D236-R276 IonicContact OD1-NH2 2.76Å; D236-R276 PolarHBondContact OD1-NH2 3.11Å; D236-R276 IonicContact OD2-CZ 2.75Å; D236-R276 IonicContact OD2-NE 3.34Å; D236-R276 PolarHBondContact OD2-NE 3.45Å; D236-R276 IonicContact OD2-NH1 3.57Å; D236-R276 IonicContact OD2-NH2 3.61Å; D236-R276 PolarHBondContact OD2-NH2 2.64Å; Y271-R276 HydrophobicContact CD1-CB 4.42Å; Y271-R276 HydrophobicContact CD1-CG 3.74Å; Y271-R276 HydrophobicContact CE1-CB 4.45Å; Y271-R276 HydrophobicContact CE1-CG 3.41Å; Y271-R276 VanDerWaalsContact CE1-CG 3.41Å
277G84.9Confident86Confident27 Ų2745 Ų4528%0.27826%0.263SS..EExtended strand (participates in β ladder)trans-94-159.7168.500000112.2F270F270-G277 CarbonylContact O-C 3.53Å; F270-G277 WeakPolarHBondContact O-CA 3.48Å; F270-G277 PolarHBondContact O-N 3.25Å
278P84.3Confident85.8Confident83 Ų8345 Ų4554%0.53926%0.263SS..EExtended strand (participates in β ladder)trans-64.6165.5177.127.8-33.1000111.7F270F270-P278 WeakPolarHBondContact CB-O 3.42Å; F270-P278 HydrophobicContact CD2-CG 4.26Å; F270-P278 WeakPolarHBondContact CD2-O 3.31Å; F270-P278 PolarHBondContact N-O 2.97Å
279C86.7Confident85.7Confident76 Ų7645.1 Ų45.151%0.51426%0.263SS..EExtended strand (participates in β ladder)trans-129.3154.1172.967.90000111.4V268 Y269V268-C279 CarbonylContact O-C 3.41Å; V268-C279 VanDerWaalsContact O-CA 3.26Å; V268-C279 WeakPolarHBondContact O-CA 3.32Å; V268-C279 WeakPolarHBondContact O-CB 3.35Å; Y269-C279 HydrophobicContact CD1-CB 3.67Å; Y269-C279 HydrophobicContact CE1-CB 3.99Å; Y269-C279 HydrophobicContact CG-CB 4.34Å
280L85.4Confident85.5Confident20 Ų2045.6 Ų45.611%0.10527%0.267CS..EExtended strand (participates in β ladder)trans-110.4104.6178.2-163.958.7000108.9A267 V268 F270 T282 L296 Q372A267-L280 WeakPolarHBondContact CA-O 3.28Å; A267-L280 WeakPolarHBondContact CB-O 3.31Å; V268-L280 HydrophobicContact CB-CB 4.29Å; V268-L280 PolarHBondContact N-O 2.93Å; V268-L280 PolarHBondContact O-N 3.31Å; F270-L280 HydrophobicContact CE2-CB 4.1Å; L280-T282 PolarHBondContact O-N 3.4Å; L280-T282 VanDerWaalsContact O-N 3.09Å; L280-L296 HydrophobicContact CD2-CD2 4.18Å; L280-Q372 VanDerWaalsContact CD1-NE2 3.26Å; L280-Q372 HydrophobicContact CD2-CB 4.42Å; L280-Q372 HydrophobicContact CD2-CG 3.82Å; L280-Q372 VanDerWaalsContact CG-NE2 3.31Å
281A82.8Confident85.4Confident89 Ų8946.6 Ų46.674%0.73628%0.275SS*.EExtended strand (participates in β ladder)trans-66.7109.3-179.700000109.9
282T82.7Confident85.1Confident12 Ų1247.3 Ų47.37%0.07428%0.278CS..  trans-145.8103.9-176.6-64.30000106.5D266 L280 K286 I298 K300 Q372D266-T282 CarbonylContact C-O 3.59Å; D266-T282 CarbonylContact O-C 3.55Å; D266-T282 PolarHBondContact O-N 3.36Å; D266-T282 VanDerWaalsContact O-O 3.12Å; L280-T282 PolarHBondContact O-N 3.4Å; L280-T282 VanDerWaalsContact O-N 3.09Å; T282-K286 WeakPolarHBondContact O-CE 3.28Å; T282-K286 PolarHBondContact O-NZ 2.85Å; T282-I298 HydrophobicContact CG2-CD1 3.99Å; T282-K300 VanDerWaalsContact CG2-CE 3.44Å; T282-Q372 PolarHBondContact OG1-OE1 3.45Å
283D81.7Confident84.9Confident128 Ų12851.1 Ų51.168%0.68429%0.292SS*.  trans-75.7162.6-178.3-67.8-43.6000112.8S265 K300S265-D283 CarbonylContact O-C 3.49Å; D283-K300 WeakPolarHBondContact O-CE 3.45Å; D283-K300 PolarHBondContact O-NZ 3.4Å
284G80.7Confident84.7Confident35 Ų3551.6 Ų51.636%0.36130%0.297SS..SBendtrans111.9158.2172.800000113.2S265 K286S265-G284 WeakPolarHBondContact CA-O 3.43Å; S265-G284 PolarHBondContact O-N 3Å; G284-K286 PolarHBondContact O-N 3.35Å; G284-K286 PolarHBondContact O-NZ 3.45Å
285E83.5Confident84.8Confident79 Ų7949 Ų4937%0.36928%0.283SS..  trans-68.3115.1180-175.3178.2-151.600110.5R241 K300 N301R241-E285 IonicContact CZ-OE1 2.72Å; R241-E285 VanDerWaalsContact CZ-OE1 3.3Å; R241-E285 IonicContact NH1-OE1 3.55Å; R241-E285 PolarHBondContact NH1-OE1 2.85Å; R241-E285 IonicContact NH2-OE1 3.05Å; R241-E285 PolarHBondContact NH2-OE1 3.08Å; E285-K300 CarbonylContact O-C 3.58Å; E285-K300 VanDerWaalsContact O-CA 3.23Å; E285-K300 WeakPolarHBondContact O-CA 3.33Å; E285-N301 HydrophobicContact CB-CB 4.18Å; E285-N301 HydrophobicContact CG-CB 4.31Å; E285-N301 PolarHBondContact O-N 2.79Å; E285-N301 WeakPolarHBondContact OE2-CB 3.18Å; E285-N301 PolarHBondContact OE2-ND2 2.85Å
286K86.3Confident84.9Confident7 Ų748.1 Ų48.13%0.0327%0.274CS..EExtended strand (participates in β ladder)trans-88139.9179.1-49.7-52.4-171.9-56.30110.4A263 C264 S265 T282 G284 I298 L299 K300A263-K286 HydrophobicContact CB-CB 4.04Å; A263-K286 HydrophobicContact CB-CG 4.08Å; C264-K286 WeakPolarHBondContact O-CG 3.21Å; C264-K286 PolarHBondContact O-NZ 3.24Å; C264-K286 VanDerWaalsContact O-NZ 3.12Å; S265-K286 PolarHBondContact O-NZ 3.29Å; T282-K286 WeakPolarHBondContact O-CE 3.28Å; T282-K286 PolarHBondContact O-NZ 2.85Å; G284-K286 PolarHBondContact O-N 3.35Å; G284-K286 PolarHBondContact O-NZ 3.45Å; K286-I298 HydrophobicContact CD-CG2 3.44Å; K286-I298 VanDerWaalsContact CD-CG2 3.44Å; K286-I298 HydrophobicContact CG-CG2 4.44Å; K286-L299 WeakPolarHBondContact CA-O 3.28Å; K286-K300 HydrophobicContact CD-CD 4.36Å; K286-K300 HydrophobicContact CD-CG 3.82Å
287I83.3Confident85.2Confident29 Ų2941.8 Ų41.815%0.14925%0.25CS..EExtended strand (participates in β ladder)trans-111-46.3-178-51.1-178.6000109.7C244 L299 N301 F361 I364C244-I287 PolarHBondContact SG-O 2.79Å; I287-L299 HydrophobicContact CB-CB 4.38Å; I287-L299 PolarHBondContact N-O 2.8Å; I287-N301 HydrophobicContact CD1-CB 3.74Å; I287-N301 HydrophobicContact CG1-CB 4.03Å; I287-F361 HydrophobicContact CG2-CD1 3.97Å; I287-F361 HydrophobicContact CG2-CE1 3.89Å; I287-I364 HydrophobicContact CD1-CD1 3.49Å; I287-I364 VanDerWaalsContact CD1-CD1 3.49Å; I287-I364 HydrophobicContact CD1-CG1 3.9Å; I287-I364 HydrophobicContact CD1-CG2 3.99Å; I287-I364 HydrophobicContact CG2-CD1 3.65Å
288A84.6Confident85.4Confident5 Ų540.5 Ų40.54%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-150.5156.5179.800000111.4H243 L299 F361H243-A288 HydrophobicContact CB-CB 3.98Å; H243-A288 CarbonylContact O-C 3.44Å; H243-A288 VanDerWaalsContact O-CA 3.23Å; H243-A288 WeakPolarHBondContact O-CA 3.32Å; A288-L299 HydrophobicContact CB-CB 4.19Å; A288-L299 HydrophobicContact CB-CD1 3.7Å; A288-L299 PolarHBondContact O-N 3.47Å; A288-F361 HydrophobicContact CB-CE1 4.31Å; A288-F361 HydrophobicContact CB-CZ 4.44Å
289L88.5Confident85.6Confident1 Ų136.7 Ų36.71%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-132.4122.5-178.5-172.367.2000109.4H243 T246 A261 A263 V268 L296 I298H243-L289 PolarHBondContact O-N 3.4Å; T246-L289 HydrophobicContact CG2-CD2 3.8Å; T246-L289 HydrophobicContact CG2-CG 3.81Å; A261-L289 HydrophobicContact CB-CD2 3.87Å; A263-L289 HydrophobicContact CB-CB 3.97Å; A263-L289 HydrophobicContact CB-CD1 4.06Å; A263-L289 HydrophobicContact CB-CD2 3.91Å; A263-L289 HydrophobicContact CB-CG 4.21Å; V268-L289 HydrophobicContact CG1-CD2 4.02Å; V268-L289 HydrophobicContact CG2-CD1 4.43Å; L289-L296 HydrophobicContact CD1-CD1 3.53Å; L289-L296 HydrophobicContact CD1-CD2 3.97Å; L289-L296 HydrophobicContact CD1-CG 3.64Å; L289-L296 HydrophobicContact CD2-CD1 4.23Å; L289-L296 HydrophobicContact CG-CD1 3.87Å; L289-I298 HydrophobicContact CD1-CG1 3.82Å
290E87.1Confident85.5Confident62 Ų6234.6 Ų34.629%0.2919%0.194SC..EExtended strand (participates in β ladder)trans-135163-179.4-78.7-71.1-177.800111.1Y37 I297 L391 I393Y37-E290 PolarHBondContact OH-OE2 3.1Å; E290-I297 HydrophobicContact CB-CB 4.25Å; E290-I297 PolarHBondContact N-O 3.19Å; E290-I297 PolarHBondContact O-N 3.46Å; E290-L391 HydrophobicContact CB-CD2 4.25Å; E290-L391 HydrophobicContact CG-CD2 4.09Å; E290-I393 HydrophobicContact CB-CD1 4.06Å
291T88.1Confident85.4Confident36 Ų3635.8 Ų35.822%0.22120%0.201CC..EExtended strand (participates in β ladder)trans-124.5130.5-178.6510000110.8T246 I248 Y295 L296 I393T246-T291 HydrophobicContact CG2-CG2 3.6Å; I248-T291 HydrophobicContact CD1-CG2 4.46Å; I248-T291 HydrophobicContact CG1-CG2 3.86Å; T291-Y295 WeakPolarHBondContact CA-O 3.46Å; T291-L296 HydrophobicContact CG2-CD1 3.96Å; T291-I393 WeakPolarHBondContact O-CD1 3.33Å
292Y84.9Confident84.9Confident16 Ų1634.6 Ų34.66%0.06318%0.184CC..EExtended strand (participates in β ladder)trans-129.3113.5172.1175.5-125.9000109.7F10 N294 Y295 I393 N396 I398F10-Y292 HydrophobicContact CE1-CD1 4.28Å; F10-Y292 HydrophobicContact CE1-CE1 4.12Å; F10-Y292 HydrophobicContact CZ-CD1 4.33Å; F10-Y292 HydrophobicContact CZ-CE1 4.4Å; Y292-N294 PolarHBondContact O-N 3.02Å; Y292-Y295 HydrophobicContact CD1-CD2 4.39Å; Y292-Y295 PolarHBondContact N-O 3.36Å; Y292-Y295 WeakPolarHBondContact O-CA 3.49Å; Y292-Y295 VanDerWaalsContact O-CB 3.28Å; Y292-Y295 WeakPolarHBondContact O-CB 3.27Å; Y292-Y295 PolarHBondContact O-N 2.91Å; Y292-I393 HydrophobicContact CD2-CG2 3.17Å; Y292-I393 HydrophobicContact CE2-CG2 3.84Å; Y292-I393 HydrophobicContact CG-CG2 3.86Å; Y292-N396 WeakPolarHBondContact OH-CA 3.27Å; Y292-N396 PolarHBondContact OH-O 2.71Å; Y292-I398 HydrophobicContact CD1-CD1 3.92Å; Y292-I398 HydrophobicContact CD1-CG1 3.87Å; Y292-I398 HydrophobicContact CE1-CG1 4.38Å; Y292-I398 HydrophobicContact CG-CD1 4.45Å; Y292-I398 HydrophobicContact CG-CG1 4.13Å
293K84Confident83.7Confident116 Ų11636.7 Ų36.750%0.50421%0.208SC..THydrogen-bonded Turntrans51.4-122.7-173.4-54.7176.2178.91750109.8Y295 E434K293-Y295 VanDerWaalsContact C-N 3.29Å; K293-Y295 PolarHBondContact O-N 2.99Å; K293-E434 WeakPolarHBondContact CD-OE2 3.46Å; K293-E434 IonicContact NZ-OE2 3.27Å; K293-E434 PolarHBondContact NZ-OE2 3.39Å
294N81.4Confident82.1Confident48 Ų4837.1 Ų37.126%0.25721%0.206SC..THydrogen-bonded Turntrans-92.710.8180-52.7-6.4000112.2Y292 Y374Y292-N294 PolarHBondContact O-N 3.02Å; N294-Y374 WeakPolarHBondContact O-CD1 3.47Å; N294-Y374 WeakPolarHBondContact O-CE1 3.44Å
295Y88.6Confident80.1Confident8 Ų839.8 Ų39.83%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-106.2134.8-178.3-57.8-71.8000111.3F10 T291 Y292 K293 I371 Q372 D373 A380 E434 K440F10-Y295 HydrophobicContact CE2-CD1 4.33Å; F10-Y295 HydrophobicContact CE2-CD2 4.15Å; F10-Y295 HydrophobicContact CE2-CE1 4.2Å; F10-Y295 AromaticContact CE2-CE2 4Å; F10-Y295 HydrophobicContact CE2-CE2 4Å; F10-Y295 HydrophobicContact CE2-CG 4.31Å; F10-Y295 AromaticContact CZ-CD2 3.74Å; F10-Y295 HydrophobicContact CZ-CD2 3.74Å; F10-Y295 AromaticContact CZ-CE2 3.8Å; F10-Y295 HydrophobicContact CZ-CE2 3.8Å; F10-Y295 HydrophobicContact CZ-CG 4.2Å; T291-Y295 WeakPolarHBondContact CA-O 3.46Å; Y292-Y295 HydrophobicContact CD1-CD2 4.39Å; Y292-Y295 PolarHBondContact N-O 3.36Å; Y292-Y295 WeakPolarHBondContact O-CA 3.49Å; Y292-Y295 VanDerWaalsContact O-CB 3.28Å; Y292-Y295 WeakPolarHBondContact O-CB 3.27Å; Y292-Y295 PolarHBondContact O-N 2.91Å; K293-Y295 VanDerWaalsContact C-N 3.29Å; K293-Y295 PolarHBondContact O-N 2.99Å; Y295-I371 HydrophobicContact CD1-CG2 3.9Å; Y295-I371 HydrophobicContact CG-CG2 3.84Å; Y295-Q372 CarbonylContact C-O 3.51Å; Y295-Q372 WeakPolarHBondContact CA-O 3.48Å; Y295-D373 HydrophobicContact CD1-CB 4Å; Y295-D373 HydrophobicContact CE1-CB 3.87Å; Y295-A380 HydrophobicContact CD1-CB 3.9Å; Y295-A380 HydrophobicContact CE1-CB 3.59Å; Y295-E434 HydrophobicContact CE2-CG 4.31Å; Y295-E434 VanDerWaalsContact CE2-OE1 3.32Å; Y295-E434 WeakPolarHBondContact CE2-OE1 3.41Å; Y295-E434 PolarHBondContact OH-OE1 3.21Å; Y295-K440 PolarHBondContact OH-NZ 2.88Å
296L89.3Confident77.6Confident0 Ų043 Ų430%024%0.238CC..EExtended strand (participates in β ladder)trans-95.1119.7168-171.169.1000108.5T246 I248 V268 F270 L280 L289 T291 I298 Q372 Y374T246-L296 HydrophobicContact CG2-CD1 4.24Å; I248-L296 HydrophobicContact CD1-CD1 4.4Å; V268-L296 HydrophobicContact CB-CD2 4.24Å; V268-L296 HydrophobicContact CG1-CD2 3.88Å; V268-L296 HydrophobicContact CG2-CD2 4.15Å; F270-L296 HydrophobicContact CE1-CD2 4.41Å; F270-L296 HydrophobicContact CZ-CD2 4.16Å; L280-L296 HydrophobicContact CD2-CD2 4.18Å; L289-L296 HydrophobicContact CD1-CD1 3.53Å; L289-L296 HydrophobicContact CD1-CD2 3.97Å; L289-L296 HydrophobicContact CD1-CG 3.64Å; L289-L296 HydrophobicContact CD2-CD1 4.23Å; L289-L296 HydrophobicContact CG-CD1 3.87Å; T291-L296 HydrophobicContact CG2-CD1 3.96Å; L296-I298 HydrophobicContact CD2-CD1 4.16Å; L296-I298 HydrophobicContact CD2-CG1 4.25Å; L296-I298 HydrophobicContact CG-CG1 4.15Å; L296-Q372 PolarHBondContact N-O 2.94Å; L296-Q372 PolarHBondContact O-N 3.25Å; L296-Y374 HydrophobicContact CB-CD1 4.23Å
297I90.3Very high75Confident0 Ų047 Ų470%026%0.263CS..EExtended strand (participates in β ladder)trans-97.6115.2-179.2-58.7166000107.9E290 I369 L391 I393 I398E290-I297 HydrophobicContact CB-CB 4.25Å; E290-I297 PolarHBondContact N-O 3.19Å; E290-I297 PolarHBondContact O-N 3.46Å; I297-I369 HydrophobicContact CG2-CG2 3.66Å; I297-L391 HydrophobicContact CG2-CD1 3.92Å; I297-I393 HydrophobicContact CD1-CD1 3.63Å; I297-I393 HydrophobicContact CD1-CG1 4.19Å; I297-I398 HydrophobicContact CD1-CD1 3.47Å; I297-I398 VanDerWaalsContact CD1-CD1 3.47Å; I297-I398 HydrophobicContact CD1-CG1 3.71Å; I297-I398 HydrophobicContact CD1-CG2 4.1Å; I297-I398 HydrophobicContact CG1-CD1 3.97Å
298I89.4Confident72.3Confident0 Ų053 Ų530%030%0.296CS..EExtended strand (participates in β ladder)trans-112.5111.9-175.5-56.6173.6000108.3V268 T282 K286 L289 L296 K300 V370V268-I298 HydrophobicContact CG2-CD1 3.77Å; V268-I298 HydrophobicContact CG2-CG1 4.37Å; T282-I298 HydrophobicContact CG2-CD1 3.99Å; K286-I298 HydrophobicContact CD-CG2 3.44Å; K286-I298 VanDerWaalsContact CD-CG2 3.44Å; K286-I298 HydrophobicContact CG-CG2 4.44Å; L289-I298 HydrophobicContact CD1-CG1 3.82Å; L296-I298 HydrophobicContact CD2-CD1 4.16Å; L296-I298 HydrophobicContact CD2-CG1 4.25Å; L296-I298 HydrophobicContact CG-CG1 4.15Å; I298-K300 HydrophobicContact CG2-CG 4.07Å; I298-V370 HydrophobicContact CB-CB 4.34Å; I298-V370 PolarHBondContact N-O 2.79Å; I298-V370 PolarHBondContact O-N 3.24Å
299L87.8Confident69.6Low3 Ų357.5 Ų57.52%0.01633%0.327CS..EExtended strand (participates in β ladder)trans-86.7121.9173.6-80.2155.6000109.7K286 I287 A288 I369 F385 F388 L391K286-L299 WeakPolarHBondContact CA-O 3.28Å; I287-L299 HydrophobicContact CB-CB 4.38Å; I287-L299 PolarHBondContact N-O 2.8Å; A288-L299 HydrophobicContact CB-CB 4.19Å; A288-L299 HydrophobicContact CB-CD1 3.7Å; A288-L299 PolarHBondContact O-N 3.47Å; L299-I369 HydrophobicContact CD2-CD1 3.87Å; L299-I369 HydrophobicContact CD2-CG1 3.63Å; L299-I369 HydrophobicContact CG-CG1 4.43Å; L299-F385 HydrophobicContact CD2-CE1 3.61Å; L299-F385 HydrophobicContact CD2-CZ 3.53Å; L299-F388 HydrophobicContact CD1-CE1 4.49Å; L299-F388 HydrophobicContact CD1-CE2 4.42Å; L299-F388 HydrophobicContact CD1-CZ 3.93Å; L299-F388 HydrophobicContact CD2-CD2 4.44Å; L299-F388 HydrophobicContact CD2-CE2 4.14Å; L299-F388 HydrophobicContact CD2-CZ 4.32Å; L299-L391 HydrophobicContact CD1-CB 4.31Å; L299-L391 HydrophobicContact CD1-CD1 3.74Å; L299-L391 HydrophobicContact CD2-CD1 4.45Å; L299-L391 HydrophobicContact CG-CD1 4.23Å
300K86.2Confident66.5Low32 Ų3268 Ų6814%0.13937%0.367CS..EExtended strand (participates in β ladder)trans-116.7145.5179.9-55.2-169.9-172.4-177.50111.9T282 D283 E285 K286 I298 G367 T368 V370T282-K300 VanDerWaalsContact CG2-CE 3.44Å; D283-K300 WeakPolarHBondContact O-CE 3.45Å; D283-K300 PolarHBondContact O-NZ 3.4Å; E285-K300 CarbonylContact O-C 3.58Å; E285-K300 VanDerWaalsContact O-CA 3.23Å; E285-K300 WeakPolarHBondContact O-CA 3.33Å; K286-K300 HydrophobicContact CD-CD 4.36Å; K286-K300 HydrophobicContact CD-CG 3.82Å; I298-K300 HydrophobicContact CG2-CG 4.07Å; K300-G367 CarbonylContact O-C 3.53Å; K300-G367 WeakPolarHBondContact O-CA 3.25Å; K300-T368 PolarHBondContact N-O 2.96Å; K300-T368 PolarHBondContact O-N 3.49Å; K300-V370 HydrophobicContact CD-CG2 4.15Å
301N82.5Confident63.6Low45 Ų4570.4 Ų70.424%0.24138%0.383CS..EExtended strand (participates in β ladder)trans-84132.9168.4-169.54.5000109.8E285 I287 G303 S366E285-N301 HydrophobicContact CB-CB 4.18Å; E285-N301 HydrophobicContact CG-CB 4.31Å; E285-N301 PolarHBondContact O-N 2.79Å; E285-N301 WeakPolarHBondContact OE2-CB 3.18Å; E285-N301 PolarHBondContact OE2-ND2 2.85Å; I287-N301 HydrophobicContact CD1-CB 3.74Å; I287-N301 HydrophobicContact CG1-CB 4.03Å; N301-G303 PolarHBondContact OD1-N 3.5Å; N301-G303 VanDerWaalsContact OD1-N 3.15Å; N301-S366 PolarHBondContact OD1-O 3.4Å
302T72.2Confident60.8Low65 Ų6573.4 Ų73.440%0.39940%0.402SS..  trans-99.50.1177.239.80000114.4E304 S366 G367 T368T302-E304 VanDerWaalsContact C-N 3.29Å; T302-E304 PolarHBondContact O-N 3.42Å; T302-S366 PolarHBondContact N-O 2.92Å; T302-S366 WeakPolarHBondContact OG1-CB 3.3Å; T302-S366 PolarHBondContact OG1-O 2.99Å; T302-S366 PolarHBondContact OG1-OG 2.82Å; T302-G367 WeakPolarHBondContact OG1-CA 3.48Å; T302-G367 PolarHBondContact OG1-N 2.88Å; T302-T368 WeakPolarHBondContact CG2-OG1 3.35Å
303G56.8Low58Low55 Ų5581.3 Ų81.357%0.56744%0.438SS*.  trans747.816400000116.5N301 S305N301-G303 PolarHBondContact OD1-N 3.5Å; N301-G303 VanDerWaalsContact OD1-N 3.15Å; G303-S305 PolarHBondContact O-N 3.21Å
304E48.6Very low55.1Low137 Ų13782.9 Ų82.964%0.6445%0.451SS*.  trans-80.969.5167.5-64.8-178.4167.100109.6T302 L306 T365T302-E304 VanDerWaalsContact C-N 3.29Å; T302-E304 PolarHBondContact O-N 3.42Å; E304-L306 VanDerWaalsContact C-N 3.3Å; E304-L306 PolarHBondContact O-N 2.84Å; E304-L306 VanDerWaalsContact O-N 3.14Å; E304-T365 PolarHBondContact O-OG1 3.25Å
305S38.8Very low52.3Low92 Ų9287.7 Ų87.764%0.64348%0.476SS*.  trans-79.482.8164-69.60000108.6G303G303-S305 PolarHBondContact O-N 3.21Å
306L31.8Very low49.2Very low145 Ų14594.8 Ų94.876%0.75951%0.514SS*.  trans-71.5134.6159.6-75.7166.8000108.2E304E304-L306 VanDerWaalsContact C-N 3.3Å; E304-L306 PolarHBondContact O-N 2.84Å; E304-L306 VanDerWaalsContact O-N 3.14Å
307V30.6Very low46.2Very low92 Ų9298.8 Ų98.856%0.55854%0.542SS*.SBendtrans86.5108.9172.5-1620000115.7S309V307-S309 PolarHBondContact O-N 3.44Å
308N26.6Very low43.1Very low156 Ų156107.8 Ų107.883%0.83458%0.577SS**  trans-49.784.6152.9-78.2-37.8000109.5Y310N308-Y310 PolarHBondContact O-N 3.07Å
309S27.9Very low40Very low99 Ų99116.3 Ų116.369%0.69262%0.615SS**  trans-70.2102.6166.252.10000107.3V307 N311V307-S309 PolarHBondContact O-N 3.44Å; S309-N311 PolarHBondContact O-N 3.38Å
310Y23.6Very low37Very low220 Ų220123.1 Ų123.186%0.86365%0.651SS**  trans-45.1103161.6-101-102000108.6N308 P312N308-Y310 PolarHBondContact O-N 3.07Å; Y310-P312 WeakPolarHBondContact O-CD 3.45Å
311N25.5Very low34.2Very low114 Ų114129.8 Ų129.861%0.6168%0.68SS**  trans-92.3103.4163.1-113.6-39.4000106.1S309 F313S309-N311 PolarHBondContact O-N 3.38Å; N311-F313 PolarHBondContact O-N 2.83Å
312P29.2Very low31.5Very low98 Ų98134.5 Ų134.564%0.63671%0.705SS**THydrogen-bonded Turntrans-69.51.8-173.6-15.430.2000114.4Y310Y310-P312 WeakPolarHBondContact O-CD 3.45Å
313F25.9Very low29.3Very low183 Ų183139.9 Ų139.980%0.80373%0.729SS**THydrogen-bonded Turntrans-121.45.7-171-66.1-73.6000116.1N311N311-F313 PolarHBondContact O-N 2.83Å
314L24.4Very low27.8Very low148 Ų148146.9 Ų146.978%0.77574%0.744SS**  trans-119.918.6179.2-82.1168.5000115.4
315N22Very low26.7Very low149 Ų149150.1 Ų150.180%0.79776%0.756SS**  trans-102.852171.6-129.7-8000112.4
316L24.1Very low26Very low158 Ų158150.9 Ų150.983%0.82776%0.762SS**  trans-10372.1155-90.5133000107.2Y318L316-Y318 PolarHBondContact O-N 2.95Å
317S26.1Very low25.6Very low84 Ų84152.5 Ų152.559%0.58777%0.77SS**  trans-57.2105.9170.569.90000108.4K319S317-K319 VanDerWaalsContact C-N 3.32Å; S317-K319 PolarHBondContact O-N 3.19Å
318Y25Very low25.3Very low188 Ų188153.1 Ų153.174%0.73778%0.778SS**  trans-56.995.5164.1-98-100.6000108.3L316 N320L316-Y318 PolarHBondContact O-N 2.95Å; Y318-N320 PolarHBondContact O-N 3.02Å
319K24.4Very low25.2Very low180 Ų180151 Ų15178%0.78378%0.776SS**  trans-74.168.3164.5-77.5-176.9177.8171.90108.9S317 K321S317-K319 VanDerWaalsContact C-N 3.32Å; S317-K319 PolarHBondContact O-N 3.19Å; K319-K321 PolarHBondContact O-N 3.5Å
320N25.9Very low25.1Very low145 Ų145152 Ų15278%0.77578%0.783SS**  trans-83.580.2156.1-86.6-14000107.3Y318Y318-N320 PolarHBondContact O-N 3.02Å
321K26Very low25Very low172 Ų172146.7 Ų146.775%0.74878%0.778SS**  trans-67.2146.7156-84.3-177.8173.2-178.40107.3K319K319-K321 PolarHBondContact O-N 3.5Å
322D26.4Very low25Very low145 Ų145146.7 Ų146.778%0.77579%0.787SS**  trans8370.5168.4-43.7-32.3000115.6
323I26.8Very low24.8Very low177 Ų177147 Ų14791%0.90880%0.797SS**  -155.382.8126.4-73.9123.4000105.9
324K23.7Very low24.8Very low202 Ų202145.1 Ų145.188%0.87880%0.801SS**  trans-134.1122.5162.7-90.4-172.1178.3179.70107.3
325K25.5Very low24.7Very low205 Ų205142.4 Ų142.489%0.89180%0.8SS**  trans10689.6170-64.6174.9172.8179.70114.9
326S25.1Very low24.8Very low109 Ų109141.8 Ų141.876%0.76280%0.801SS**  173.4118.1107.2450000108.2
327L24Very low24.7Very low179 Ų179140.7 Ų140.794%0.93780%0.802SS**  trans174.666.7148.8-90.7151.1000106.4
328S23.7Very low24.6Very low104 Ų104142.2 Ų142.273%0.72781%0.807SS**  trans-73.4131.6155.147.70000108.4
329S24.1Very low24.5Very low112 Ų112140.1 Ų140.178%0.78381%0.809SS**  trans54.5106.2150.8620000118.3
330S25.5Very low24.4Very low119 Ų119136.8 Ų136.883%0.83280%0.804SS**  -152.9124.3129.436.40000110.7
331S22.8Very low24.2Very low109 Ų109136.1 Ų136.176%0.76281%0.805SS**  trans-60.5146.3170.540.30000112.3
332S24.2Very low24.1Very low114 Ų114134.5 Ų134.580%0.79781%0.81SS**  trans56.8102.4149580000118.6
333A24.9Very low23.9Very low104 Ų104133.8 Ų133.886%0.8681%0.811SS**  -177.9138.6120.300000110.5
334V25.8Very low23.6Very low145 Ų145131.9 Ų131.988%0.87981%0.808SS**  trans-68.2128.6175.7173.20000110.1
335A23.1Very low23.6Very low91 Ų91128.9 Ų128.975%0.75281%0.807SS**  trans-160.7111.6151.900000110.8
336T23.2Very low23.5Very low135 Ų135124 Ų12483%0.82880%0.804SS**  trans-47128.1159.518.90000112.1
337T22.8Very low23.5Very low136 Ų136125.8 Ų125.883%0.83481%0.811SS**  trans-160.9125.8136.99.50000111.5
338T23.3Very low23.5Very low115 Ų115120 Ų12071%0.70680%0.795SS**  trans-48.7149.9160.446.50000112.7
339N23.8Very low23.4Very low144 Ų144122.3 Ų122.377%0.7780%0.804SS**  trans176.797.5138.1-85.5-10.7000108.7
340T22.5Very low23.4Very low111 Ų111123.4 Ų123.468%0.68181%0.807SS**  65.194.999.654.40000114.5
341T22Very low23.2Very low130 Ų130125.6 Ų125.680%0.79881%0.808SS**  22.1112.5125.249.90000117.7
342T22.3Very low23.3Very low138 Ų138125.9 Ų125.985%0.84781%0.81SS**  trans-138105.6140.639.50000109.6
343T21.8Very low23.1Very low130 Ų130126.6 Ų126.680%0.79881%0.805SS**  trans-55.5129.5162.640.90000111.9
344T22.5Very low23.1Very low138 Ų138127.8 Ų127.885%0.84780%0.803SS**  trans-134.2111.7153.946.10000109.7
345T22.8Very low23.1Very low139 Ų139126.4 Ų126.485%0.85379%0.791SS**  trans-59.2129.1171.945.30000112
346A23.9Very low23.2Very low101 Ų101127.8 Ų127.884%0.83579%0.792SS**  trans-139.6105.1157.900000108.7G348A346-G348 PolarHBondContact O-N 3.43Å
347T24.8Very low23.3Very low148 Ų148126.3 Ų126.391%0.90879%0.787SS**  trans-63.3112.3171.745.30000109.8
348G22.8Very low23.5Very low58 Ų58121.3 Ų121.360%0.59876%0.757SS**  trans-144.8110.1171.300000108.7A346 T350A346-G348 PolarHBondContact O-N 3.43Å; G348-T350 PolarHBondContact O-N 2.84Å
349T23.3Very low24Very low151 Ų151118.3 Ų118.393%0.92674%0.735SS**  trans-47.3100.2174.229.20000111.6L351T349-L351 PolarHBondContact O-N 3.32Å
350T23.2Very low24.5Very low136 Ų136114.2 Ų114.283%0.83472%0.718SS**  trans-85109.7174.351.90000109.5G348 S352G348-T350 PolarHBondContact O-N 2.84Å; T350-S352 PolarHBondContact O-N 2.92Å
351L22.1Very low25.3Very low164 Ų164111.5 Ų111.586%0.85970%0.697SS**  trans-48.9126.2162.7-76.8153.6000109.3T349 L353T349-L351 PolarHBondContact O-N 3.32Å; L351-L353 PolarHBondContact O-N 3.2Å
352S23Very low26.3Very low115 Ų115112.1 Ų112.180%0.80470%0.696SS**  trans-57.2114-179.444.20000111.1T350T350-S352 PolarHBondContact O-N 2.92Å
353L21.8Very low27.6Very low130 Ų130113.2 Ų113.268%0.68169%0.685SS**PPolyproline II helixtrans-61136.7164.7-87.798.8000109.3L351 L355L351-L353 PolarHBondContact O-N 3.2Å; L353-L355 PolarHBondContact O-N 2.96Å
354P24.9Very low29.2Very low128 Ų128107.9 Ų107.983%0.83165%0.652SS**PPolyproline II helixtrans-71.2118.6171.112.5-2.1000109.2
355L25.5Very low30.9Very low117 Ų117102.9 Ų102.961%0.61362%0.621SS**PPolyproline II helixtrans-81.7144.2179.1-14673.7000109.6Y126 L353 S357Y126-L355 HydrophobicContact CD2-CD2 4.21Å; Y126-L355 HydrophobicContact CE2-CD2 4.37Å; L353-L355 PolarHBondContact O-N 2.96Å; L355-S357 PolarHBondContact O-N 3.47Å
356P25.2Very low33.3Very low120 Ų12096.7 Ų96.778%0.77958%0.584SS**PPolyproline II helixtrans-63128.6-177.8-15.429.1000110.5S358P356-S358 PolarHBondContact O-N 2.92Å
357S24.8Very low35.9Very low104 Ų10491.9 Ų91.973%0.72754%0.544SS*.PPolyproline II helixtrans-52.5122.8174.747.90000111.1L355L355-S357 PolarHBondContact O-N 3.47Å
358S27.8Very low38.9Very low30 Ų3085 Ų8521%0.2150%0.502CS..SBendtrans-8115.4156.953.10000117.3N33 H71 P356 S360N33-S358 PolarHBondContact ND2-OG 3.05Å; H71-S358 VanDerWaalsContact ND1-CB 3.32Å; H71-S358 WeakPolarHBondContact ND1-CB 3.23Å; P356-S358 PolarHBondContact O-N 2.92Å; S358-S360 PolarHBondContact O-N 2.94Å
359Q34.1Very low42Very low52 Ų5282.3 Ų82.324%0.24347%0.473CS..  trans58.813.7130.3-55.7-166.312.200121.8N33 H71 V127N33-Q359 CarbonylContact O-C 3.5Å; H71-Q359 PolarHBondContact O-OE1 3.41Å; V127-Q359 PolarHBondContact O-NE2 3.35Å
360S33.6Very low45.1Very low59 Ų5975.3 Ų75.341%0.41343%0.431SS..  trans-78135.4160.656.20000109.5S358 N362S358-S360 PolarHBondContact O-N 2.94Å; S360-N362 PolarHBondContact O-N 3.41Å
361F39.8Very low48.3Very low53 Ų5368.9 Ų68.923%0.23239%0.391CS..  trans-51.1108.8160.8-73.8-86.6000106I287 A288 Y363 I364 F388 K389I287-F361 HydrophobicContact CG2-CD1 3.97Å; I287-F361 HydrophobicContact CG2-CE1 3.89Å; A288-F361 HydrophobicContact CB-CE1 4.31Å; A288-F361 HydrophobicContact CB-CZ 4.44Å; F361-Y363 PolarHBondContact O-N 3.37Å; F361-I364 HydrophobicContact CB-CD1 4.27Å; F361-I364 HydrophobicContact CD1-CD1 3.81Å; F361-I364 HydrophobicContact CG-CD1 4.42Å; F361-F388 HydrophobicContact CD1-CD1 4.23Å; F361-F388 AromaticContact CD1-CE1 3.87Å; F361-F388 HydrophobicContact CD1-CE1 3.87Å; F361-F388 HydrophobicContact CD2-CD1 4.4Å; F361-F388 AromaticContact CD2-CE1 3.81Å; F361-F388 HydrophobicContact CD2-CE1 3.81Å; F361-F388 AromaticContact CE1-CE1 3.79Å; F361-F388 HydrophobicContact CE1-CE1 3.79Å; F361-F388 AromaticContact CE2-CE1 3.73Å; F361-F388 HydrophobicContact CE2-CE1 3.73Å; F361-F388 HydrophobicContact CE2-CZ 4.39Å; F361-F388 HydrophobicContact CG-CD1 4.16Å; F361-F388 AromaticContact CG-CE1 3.89Å; F361-F388 HydrophobicContact CG-CE1 3.89Å; F361-F388 AromaticContact CZ-CE1 3.72Å; F361-F388 HydrophobicContact CZ-CE1 3.72Å; F361-F388 HydrophobicContact CZ-CZ 4.36Å; F361-K389 VanDerWaalsContact CD2-O 3.28Å; F361-K389 WeakPolarHBondContact CD2-O 2.92Å
362N42.1Very low51.4Low144 Ų14461.2 Ų61.277%0.7735%0.351SS*.  trans-48.2116169.7-82.4-32.4000105.9S360 I364S360-N362 PolarHBondContact O-N 3.41Å; N362-I364 PolarHBondContact O-N 2.91Å
363Y49.8Very low54.3Low160 Ų16056 Ų5663%0.62731%0.314SS*.  trans-37102.2-167.1-65.7-88.1000111.8F361 T365F361-Y363 PolarHBondContact O-N 3.37Å; Y363-T365 PolarHBondContact O-N 2.69Å; Y363-T365 VanDerWaalsContact O-N 3.15Å
364I56Low56.9Low18 Ų1851.3 Ų51.39%0.09229%0.287CS..EExtended strand (participates in β ladder)trans-75.8109179.6-66.5148.8000105.9I287 F361 N362 S366 F385 Y387 F388I287-I364 HydrophobicContact CD1-CD1 3.49Å; I287-I364 VanDerWaalsContact CD1-CD1 3.49Å; I287-I364 HydrophobicContact CD1-CG1 3.9Å; I287-I364 HydrophobicContact CD1-CG2 3.99Å; I287-I364 HydrophobicContact CG2-CD1 3.65Å; F361-I364 HydrophobicContact CB-CD1 4.27Å; F361-I364 HydrophobicContact CD1-CD1 3.81Å; F361-I364 HydrophobicContact CG-CD1 4.42Å; N362-I364 PolarHBondContact O-N 2.91Å; I364-S366 WeakPolarHBondContact CG2-O 3.42Å; I364-S366 PolarHBondContact O-N 2.99Å; I364-F385 HydrophobicContact CG2-CE2 4.39Å; I364-Y387 WeakPolarHBondContact O-CA 3.46Å; I364-Y387 PolarHBondContact O-N 3.31Å; I364-Y387 VanDerWaalsContact O-N 3.15Å; I364-F388 HydrophobicContact CB-CB 4.47Å; I364-F388 HydrophobicContact CD1-CD1 3.96Å; I364-F388 PolarHBondContact O-N 2.87Å
365T57.7Low59.3Low34 Ų3449.1 Ų49.121%0.20927%0.269CS..EExtended strand (participates in β ladder)trans-61.8-44.2-176.349.20000111.4E304 Y363 T386 Y387E304-T365 PolarHBondContact O-OG1 3.25Å; Y363-T365 PolarHBondContact O-N 2.69Å; Y363-T365 VanDerWaalsContact O-N 3.15Å; T365-T386 CarbonylContact O-C 3.52Å; T365-T386 VanDerWaalsContact O-CA 3.24Å; T365-T386 WeakPolarHBondContact O-CA 3.42Å; T365-T386 WeakPolarHBondContact O-CB 3.29Å; T365-Y387 PolarHBondContact O-N 2.87Å
366S72.2Confident61.5Low9 Ų944.7 Ų44.76%0.06325%0.246CC..EExtended strand (participates in β ladder)trans-144.8141.7174.166.30000111.9N301 T302 I364N301-S366 PolarHBondContact OD1-O 3.4Å; T302-S366 PolarHBondContact N-O 2.92Å; T302-S366 WeakPolarHBondContact OG1-CB 3.3Å; T302-S366 PolarHBondContact OG1-O 2.99Å; T302-S366 PolarHBondContact OG1-OG 2.82Å; I364-S366 WeakPolarHBondContact CG2-O 3.42Å; I364-S366 PolarHBondContact O-N 2.99Å
367G79.9Confident63.9Low0 Ų046.3 Ų46.30%024%0.24CC..EExtended strand (participates in β ladder)trans-154.3173.5174.900000112.8K300 T302 F385K300-G367 CarbonylContact O-C 3.53Å; K300-G367 WeakPolarHBondContact O-CA 3.25Å; T302-G367 WeakPolarHBondContact OG1-CA 3.48Å; T302-G367 PolarHBondContact OG1-N 2.88Å; G367-F385 VanDerWaalsContact C-CZ 3.43Å; G367-F385 VanDerWaalsContact CA-CZ 3.46Å; G367-F385 PolarHBondContact N-O 3.34Å; G367-F385 WeakPolarHBondContact O-CD1 3.47Å; G367-F385 WeakPolarHBondContact O-CE1 3.36Å; G367-F385 PolarHBondContact O-N 3.07Å; G367-F385 VanDerWaalsContact O-O 3.12Å
368T86.6Confident66.6Low4 Ų441.6 Ų41.63%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-130.2134.1-179.5-53.30000110.3K300 T302 V370 E382 F383 H384 F385K300-T368 PolarHBondContact N-O 2.96Å; K300-T368 PolarHBondContact O-N 3.49Å; T302-T368 WeakPolarHBondContact CG2-OG1 3.35Å; T368-V370 HydrophobicContact CG2-CG2 4.33Å; T368-E382 HydrophobicContact CG2-CG 3.4Å; T368-E382 VanDerWaalsContact CG2-CG 3.4Å; T368-F383 CarbonylContact C-O 3.57Å; T368-F383 WeakPolarHBondContact CA-O 3.34Å; T368-H384 PolarHBondContact OG1-CE1 2.86Å; T368-H384 VanDerWaalsContact OG1-CE1 3.29Å; T368-H384 PolarHBondContact OG1-ND1 3.42Å; T368-F385 VanDerWaalsContact C-CE1 3.49Å
369I88.2Confident69.3Low0 Ų040.6 Ų40.60%020%0.199CC..EExtended strand (participates in β ladder)trans-93.5123.6167.8-58.2-165.3000108.5I297 L299 I371 E382 F383 F385 L391 L400I297-I369 HydrophobicContact CG2-CG2 3.66Å; L299-I369 HydrophobicContact CD2-CD1 3.87Å; L299-I369 HydrophobicContact CD2-CG1 3.63Å; L299-I369 HydrophobicContact CG-CG1 4.43Å; I369-I371 HydrophobicContact CG2-CG1 3.91Å; I369-E382 CarbonylContact O-C 3.05Å; I369-E382 VanDerWaalsContact O-CA 3.27Å; I369-E382 WeakPolarHBondContact O-CA 3.1Å; I369-F383 PolarHBondContact N-O 2.93Å; I369-F383 PolarHBondContact O-N 3.12Å; I369-F385 HydrophobicContact CB-CE1 4.49Å; I369-F385 HydrophobicContact CD1-CD1 4.24Å; I369-F385 HydrophobicContact CD1-CE1 4.17Å; I369-F385 HydrophobicContact CG1-CD1 3.65Å; I369-F385 HydrophobicContact CG1-CE1 3.36Å; I369-L391 HydrophobicContact CD1-CD1 4.05Å; I369-L400 HydrophobicContact CD1-CD1 3.33Å; I369-L400 HydrophobicContact CD1-CD2 3.19Å; I369-L400 HydrophobicContact CD1-CG 3.79Å; I369-L400 HydrophobicContact CG1-CD1 4.38Å
370V88.7Confident71.7Confident5 Ų538.1 Ų38.13%0.0319%0.188CC..EExtended strand (participates in β ladder)trans-107.9116.2168.8-178.30000107.8I298 K300 T368 V379 E382I298-V370 HydrophobicContact CB-CB 4.34Å; I298-V370 PolarHBondContact N-O 2.79Å; I298-V370 PolarHBondContact O-N 3.24Å; K300-V370 HydrophobicContact CD-CG2 4.15Å; T368-V370 HydrophobicContact CG2-CG2 4.33Å; V370-V379 HydrophobicContact CG1-CG1 3.94Å; V370-V379 HydrophobicContact CG1-CG2 4.07Å; V370-E382 HydrophobicContact CG2-CG 4.2Å
371I90.1Very high74.2Confident0 Ų035.4 Ų35.40%017%0.169CC..EExtended strand (participates in β ladder)trans-96.1117.4174.2-52.8178.8000107.3F10 Y295 I369 V379 A380 G381 F383 I398 L432F10-I371 HydrophobicContact CB-CD1 4.31Å; F10-I371 HydrophobicContact CD1-CD1 3.83Å; F10-I371 HydrophobicContact CD2-CD1 3.88Å; F10-I371 HydrophobicContact CD2-CG2 4.25Å; F10-I371 HydrophobicContact CE1-CD1 4.06Å; F10-I371 HydrophobicContact CE2-CD1 4.14Å; F10-I371 HydrophobicContact CE2-CG2 3.68Å; F10-I371 HydrophobicContact CG-CD1 3.73Å; F10-I371 HydrophobicContact CZ-CD1 4.22Å; F10-I371 HydrophobicContact CZ-CG2 3.98Å; Y295-I371 HydrophobicContact CD1-CG2 3.9Å; Y295-I371 HydrophobicContact CG-CG2 3.84Å; I369-I371 HydrophobicContact CG2-CG1 3.91Å; I371-V379 CarbonylContact O-C 3.55Å; I371-A380 HydrophobicContact CG2-CB 4.19Å; I371-A380 PolarHBondContact O-N 3.3Å; I371-G381 PolarHBondContact N-O 3.39Å; I371-G381 PolarHBondContact O-N 3.45Å; I371-F383 HydrophobicContact CD1-CD2 4.28Å; I371-F383 HydrophobicContact CD1-CE2 3.93Å; I371-I398 HydrophobicContact CD1-CD1 3.65Å; I371-I398 HydrophobicContact CG1-CD1 4.36Å; I371-L432 HydrophobicContact CD1-CD1 4.08Å
372Q86.9Confident76.4Confident4 Ų435.8 Ų35.82%0.01917%0.172CC..EExtended strand (participates in β ladder)trans-122.7128-174.6-164.4165.47.100111L280 T282 Y295 L296 Y374 F378 V379L280-Q372 VanDerWaalsContact CD1-NE2 3.26Å; L280-Q372 HydrophobicContact CD2-CB 4.42Å; L280-Q372 HydrophobicContact CD2-CG 3.82Å; L280-Q372 VanDerWaalsContact CG-NE2 3.31Å; T282-Q372 PolarHBondContact OG1-OE1 3.45Å; Y295-Q372 CarbonylContact C-O 3.51Å; Y295-Q372 WeakPolarHBondContact CA-O 3.48Å; L296-Q372 PolarHBondContact N-O 2.94Å; L296-Q372 PolarHBondContact O-N 3.25Å; Q372-Y374 PolarHBondContact O-N 2.98Å; Q372-F378 WeakPolarHBondContact CG-O 3.39Å; Q372-V379 HydrophobicContact CG-CG2 4.26Å
373D83.9Confident78.5Confident5 Ų530.1 Ų30.13%0.02714%0.14CC..EExtended strand (participates in β ladder)trans-78109.7169.3-170.6-38.6000107.7Y295 N375 N376 K377 F378Y295-D373 HydrophobicContact CD1-CB 4Å; Y295-D373 HydrophobicContact CE1-CB 3.87Å; D373-N375 PolarHBondContact OD1-N 3.31Å; D373-N376 HydrophobicContact CB-CB 4.36Å; D373-N376 PolarHBondContact OD1-N 2.91Å; D373-N376 PolarHBondContact OD2-ND2 3.49Å; D373-K377 VanDerWaalsContact O-CA 3.26Å; D373-K377 WeakPolarHBondContact O-CA 3.25Å; D373-K377 PolarHBondContact O-N 3.41Å; D373-F378 HydrophobicContact CB-CD1 4.1Å; D373-F378 HydrophobicContact CB-CD2 4.35Å; D373-F378 HydrophobicContact CB-CE1 3.8Å; D373-F378 HydrophobicContact CB-CE2 4.02Å; D373-F378 HydrophobicContact CB-CG 4.37Å; D373-F378 HydrophobicContact CB-CZ 3.73Å; D373-F378 PolarHBondContact N-O 3.21Å; D373-F378 PolarHBondContact O-N 3.41Å; D373-F378 WeakPolarHBondContact OD2-CE1 3.46Å
374Y77.7Confident80.1Confident31 Ų3128.2 Ų28.212%0.12214%0.137CC..THydrogen-bonded Turntrans-78.3-23.6-176.262.3-94.9000112.3I248 N294 L296 Q372I248-Y374 HydrophobicContact CG2-CE1 4.46Å; I248-Y374 HydrophobicContact CG2-CE2 4.03Å; N294-Y374 WeakPolarHBondContact O-CD1 3.47Å; N294-Y374 WeakPolarHBondContact O-CE1 3.44Å; L296-Y374 HydrophobicContact CB-CD1 4.23Å; Q372-Y374 PolarHBondContact O-N 2.98Å
375N74.4Confident81.2Confident82 Ų8227.9 Ų27.944%0.43914%0.135SC..THydrogen-bonded Turntrans-76-49176.7-72.7-21.7000110.7D373D373-N375 PolarHBondContact OD1-N 3.31Å
376N72.8Confident81.9Confident25 Ų2529.2 Ų29.213%0.13414%0.143CC..THydrogen-bonded Turntrans-93.2-0.3-176.9-61.5-49.7000113.6D373 F378 S459D373-N376 HydrophobicContact CB-CB 4.36Å; D373-N376 PolarHBondContact OD1-N 2.91Å; D373-N376 PolarHBondContact OD2-ND2 3.49Å; N376-F378 VanDerWaalsContact C-N 3.35Å; N376-F378 HydrophobicContact CB-CD1 3.43Å; N376-F378 VanDerWaalsContact CB-CD1 3.43Å; N376-F378 HydrophobicContact CB-CE1 3.33Å; N376-F378 PolarHBondContact O-N 2.91Å; N376-S459 PolarHBondContact ND2-OG 2.86Å
377K75.9Confident81.9Confident154 Ų15431.9 Ų31.967%0.6715%0.152SC*.THydrogen-bonded Turntrans56.337.5173.1-57.4179-178.5174.70115D373D373-K377 VanDerWaalsContact O-CA 3.26Å; D373-K377 WeakPolarHBondContact O-CA 3.25Å; D373-K377 PolarHBondContact O-N 3.41Å
378F80.4Confident81.6Confident4 Ų432 Ų322%0.01815%0.152CC..EExtended strand (participates in β ladder)trans-127.2157.2176.472.3-101000111.9R5 L7 L9 Q372 D373 N376 A380 L452 I456R5-F378 HydrophobicContact CB-CB 4.38Å; R5-F378 WeakPolarHBondContact O-CB 3.22Å; L7-F378 HydrophobicContact CB-CD2 4.46Å; L7-F378 HydrophobicContact CD1-CD2 3.96Å; L7-F378 HydrophobicContact CD1-CE2 4.1Å; L7-F378 HydrophobicContact CD1-CG 4.38Å; L7-F378 HydrophobicContact CG-CD2 4.47Å; L9-F378 HydrophobicContact CD1-CE2 3.41Å; L9-F378 VanDerWaalsContact CD1-CE2 3.41Å; L9-F378 HydrophobicContact CD1-CZ 3.67Å; L9-F378 HydrophobicContact CG-CE2 4.39Å; Q372-F378 WeakPolarHBondContact CG-O 3.39Å; D373-F378 HydrophobicContact CB-CD1 4.1Å; D373-F378 HydrophobicContact CB-CD2 4.35Å; D373-F378 HydrophobicContact CB-CE1 3.8Å; D373-F378 HydrophobicContact CB-CE2 4.02Å; D373-F378 HydrophobicContact CB-CG 4.37Å; D373-F378 HydrophobicContact CB-CZ 3.73Å; D373-F378 PolarHBondContact N-O 3.21Å; D373-F378 PolarHBondContact O-N 3.41Å; D373-F378 WeakPolarHBondContact OD2-CE1 3.46Å; N376-F378 VanDerWaalsContact C-N 3.35Å; N376-F378 HydrophobicContact CB-CD1 3.43Å; N376-F378 VanDerWaalsContact CB-CD1 3.43Å; N376-F378 HydrophobicContact CB-CE1 3.33Å; N376-F378 PolarHBondContact O-N 2.91Å; F378-A380 HydrophobicContact CD2-CB 4.42Å; F378-A380 HydrophobicContact CE2-CB 3.84Å; F378-L452 HydrophobicContact CD1-CD1 3.79Å; F378-L452 HydrophobicContact CD1-CD2 4.39Å; F378-L452 HydrophobicContact CE1-CD1 3.99Å; F378-I456 HydrophobicContact CE1-CD1 4.01Å; F378-I456 HydrophobicContact CE1-CG1 4.14Å; F378-I456 HydrophobicContact CZ-CD1 4.1Å; F378-I456 HydrophobicContact CZ-CG1 4.49Å
379V84.5Confident80.9Confident9 Ų933.6 Ų33.66%0.05516%0.159CC..EExtended strand (participates in β ladder)trans-89115.9175.1171.50000108.4S4 R5 R6 L7 V370 I371 Q372S4-V379 VanDerWaalsContact OG-CG2 3.24Å; S4-V379 WeakPolarHBondContact OG-CG2 3.32Å; R5-V379 PolarHBondContact O-N 3.2Å; R6-V379 WeakPolarHBondContact CA-O 3.35Å; R6-V379 HydrophobicContact CG-CB 4.28Å; L7-V379 PolarHBondContact N-O 3.29Å; L7-V379 VanDerWaalsContact O-O 3.13Å; V370-V379 HydrophobicContact CG1-CG1 3.94Å; V370-V379 HydrophobicContact CG1-CG2 4.07Å; I371-V379 CarbonylContact O-C 3.55Å; Q372-V379 HydrophobicContact CG-CG2 4.26Å
380A84.5Confident80.3Confident0 Ų033.7 Ų33.70%016%0.16CC..EExtended strand (participates in β ladder)trans-84.5-12.6-177.700000113.6L7 L9 F10 Y295 I371 F378L7-A380 CarbonylContact O-C 3.52Å; L7-A380 VanDerWaalsContact O-CA 3.31Å; L7-A380 WeakPolarHBondContact O-CA 3.24Å; L9-A380 HydrophobicContact CB-CB 4.33Å; L9-A380 HydrophobicContact CD1-CB 4.3Å; L9-A380 HydrophobicContact CG-CB 4.49Å; L9-A380 PolarHBondContact N-O 3.09Å; F10-A380 HydrophobicContact CD2-CB 4.09Å; F10-A380 HydrophobicContact CE2-CB 3.91Å; Y295-A380 HydrophobicContact CD1-CB 3.9Å; Y295-A380 HydrophobicContact CE1-CB 3.59Å; I371-A380 HydrophobicContact CG2-CB 4.19Å; I371-A380 PolarHBondContact O-N 3.3Å; F378-A380 HydrophobicContact CD2-CB 4.42Å; F378-A380 HydrophobicContact CE2-CB 3.84Å
381G85.4Confident80Confident2 Ų234.1 Ų34.12%0.02116%0.162CC..EExtended strand (participates in β ladder)trans178.2150.5173.700000111.7L7 I371L7-G381 PolarHBondContact O-N 3.45Å; I371-G381 PolarHBondContact N-O 3.39Å; I371-G381 PolarHBondContact O-N 3.45Å
382E86.9Confident79.7Confident62 Ų6234.2 Ų34.229%0.2916%0.162SC..EExtended strand (participates in β ladder)trans-133.2120.5172.9-175.2169-161.200107.7R6 T368 I369 V370R6-E382 IonicContact CZ-OE2 2.85Å; R6-E382 IonicContact NH1-OE2 3.73Å; R6-E382 PolarHBondContact NH1-OE2 2.94Å; R6-E382 IonicContact NH2-OE2 2.76Å; T368-E382 HydrophobicContact CG2-CG 3.4Å; T368-E382 VanDerWaalsContact CG2-CG 3.4Å; I369-E382 CarbonylContact O-C 3.05Å; I369-E382 VanDerWaalsContact O-CA 3.27Å; I369-E382 WeakPolarHBondContact O-CA 3.1Å; V370-E382 HydrophobicContact CG2-CG 4.2Å
383F86.8Confident79.6Confident25 Ų2534.8 Ų34.811%0.1117%0.165CC..EExtended strand (participates in β ladder)trans-131.3124.2-172.8-58-82.4000110.7F10 R12 T368 I369 I371 L432F10-F383 HydrophobicContact CB-CE2 3.77Å; F10-F383 HydrophobicContact CB-CZ 3.61Å; F10-F383 WeakPolarHBondContact O-CZ 3.49Å; R12-F383 HydrophobicContact CB-CD1 4.18Å; R12-F383 HydrophobicContact CB-CE1 4.08Å; T368-F383 CarbonylContact C-O 3.57Å; T368-F383 WeakPolarHBondContact CA-O 3.34Å; I369-F383 PolarHBondContact N-O 2.93Å; I369-F383 PolarHBondContact O-N 3.12Å; I371-F383 HydrophobicContact CD1-CD2 4.28Å; I371-F383 HydrophobicContact CD1-CE2 3.93Å; F383-L432 HydrophobicContact CB-CD1 4.44Å; F383-L432 HydrophobicContact CD1-CD2 3.92Å; F383-L432 HydrophobicContact CD2-CD1 3.61Å; F383-L432 HydrophobicContact CD2-CD2 4.03Å; F383-L432 HydrophobicContact CD2-CG 4.43Å; F383-L432 HydrophobicContact CE1-CD2 4.09Å; F383-L432 HydrophobicContact CE2-CD1 4.05Å; F383-L432 HydrophobicContact CE2-CD2 4.19Å; F383-L432 HydrophobicContact CG-CD1 4.08Å; F383-L432 HydrophobicContact CG-CD2 3.88Å; F383-L432 HydrophobicContact CZ-CD2 4.23Å
384H83.7Confident79.6Confident120 Ų12036.1 Ų36.156%0.55617%0.172SC*.EExtended strand (participates in β ladder)trans-84.7141.6174.9-60.3-65.5000110.9T368T368-H384 PolarHBondContact OG1-CE1 2.86Å; T368-H384 VanDerWaalsContact OG1-CE1 3.29Å; T368-H384 PolarHBondContact OG1-ND1 3.42Å
385F77.2Confident79.9Confident10 Ų1036.1 Ų36.14%0.04417%0.171CC..EExtended strand (participates in β ladder)trans-139.5158.5175.960.2-96000110.1L299 I364 G367 T368 I369 F388L299-F385 HydrophobicContact CD2-CE1 3.61Å; L299-F385 HydrophobicContact CD2-CZ 3.53Å; I364-F385 HydrophobicContact CG2-CE2 4.39Å; G367-F385 VanDerWaalsContact C-CZ 3.43Å; G367-F385 VanDerWaalsContact CA-CZ 3.46Å; G367-F385 PolarHBondContact N-O 3.34Å; G367-F385 WeakPolarHBondContact O-CD1 3.47Å; G367-F385 WeakPolarHBondContact O-CE1 3.36Å; G367-F385 PolarHBondContact O-N 3.07Å; G367-F385 VanDerWaalsContact O-O 3.12Å; T368-F385 VanDerWaalsContact C-CE1 3.49Å; I369-F385 HydrophobicContact CB-CE1 4.49Å; I369-F385 HydrophobicContact CD1-CD1 4.24Å; I369-F385 HydrophobicContact CD1-CE1 4.17Å; I369-F385 HydrophobicContact CG1-CD1 3.65Å; I369-F385 HydrophobicContact CG1-CE1 3.36Å; F385-F388 HydrophobicContact CD2-CB 3.55Å; F385-F388 HydrophobicContact CD2-CD2 4.41Å; F385-F388 HydrophobicContact CD2-CG 4.36Å; F385-F388 HydrophobicContact CE2-CB 3.28Å; F385-F388 HydrophobicContact CE2-CD2 4.17Å; F385-F388 AromaticContact CE2-CG 3.9Å; F385-F388 HydrophobicContact CE2-CG 3.9Å; F385-F388 HydrophobicContact CZ-CB 4.23Å; F385-F388 HydrophobicContact CZ-CD2 4.46Å; F385-F388 HydrophobicContact CZ-CG 4.42Å
386T73.6Confident80.3Confident62 Ų6238.4 Ų38.438%0.3818%0.183SC..EExtended strand (participates in β ladder)trans-122.9150.1173.750.90000109.8T365 F388 C402T365-T386 CarbonylContact O-C 3.52Å; T365-T386 VanDerWaalsContact O-CA 3.24Å; T365-T386 WeakPolarHBondContact O-CA 3.42Å; T365-T386 WeakPolarHBondContact O-CB 3.29Å; T386-F388 PolarHBondContact O-N 3.03Å; T386-C402 WeakPolarHBondContact O-CB 3.47Å
387Y71.7Confident80.9Confident66 Ų6637.2 Ų37.226%0.25918%0.177SC..EExtended strand (participates in β ladder)trans5252177.2-55.1-83.7000114.6I364 T365 K389 C402 G403 E405I364-Y387 WeakPolarHBondContact O-CA 3.46Å; I364-Y387 PolarHBondContact O-N 3.31Å; I364-Y387 VanDerWaalsContact O-N 3.15Å; T365-Y387 PolarHBondContact O-N 2.87Å; Y387-K389 PolarHBondContact O-N 3.19Å; Y387-C402 CarbonylContact O-C 3.58Å; Y387-C402 WeakPolarHBondContact O-CA 3.46Å; Y387-G403 PolarHBondContact O-N 3.17Å; Y387-E405 HydrophobicContact CD2-CG 3.96Å; Y387-E405 HydrophobicContact CE2-CB 4.36Å; Y387-E405 HydrophobicContact CE2-CG 3.19Å
388F75Confident81.5Confident1 Ų129.9 Ų29.90%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-64.8129.8179.8173.5-94.4000112.3L299 F361 I364 F385 T386 A390 L391 L400L299-F388 HydrophobicContact CD1-CE1 4.49Å; L299-F388 HydrophobicContact CD1-CE2 4.42Å; L299-F388 HydrophobicContact CD1-CZ 3.93Å; L299-F388 HydrophobicContact CD2-CD2 4.44Å; L299-F388 HydrophobicContact CD2-CE2 4.14Å; L299-F388 HydrophobicContact CD2-CZ 4.32Å; F361-F388 HydrophobicContact CD1-CD1 4.23Å; F361-F388 AromaticContact CD1-CE1 3.87Å; F361-F388 HydrophobicContact CD1-CE1 3.87Å; F361-F388 HydrophobicContact CD2-CD1 4.4Å; F361-F388 AromaticContact CD2-CE1 3.81Å; F361-F388 HydrophobicContact CD2-CE1 3.81Å; F361-F388 AromaticContact CE1-CE1 3.79Å; F361-F388 HydrophobicContact CE1-CE1 3.79Å; F361-F388 AromaticContact CE2-CE1 3.73Å; F361-F388 HydrophobicContact CE2-CE1 3.73Å; F361-F388 HydrophobicContact CE2-CZ 4.39Å; F361-F388 HydrophobicContact CG-CD1 4.16Å; F361-F388 AromaticContact CG-CE1 3.89Å; F361-F388 HydrophobicContact CG-CE1 3.89Å; F361-F388 AromaticContact CZ-CE1 3.72Å; F361-F388 HydrophobicContact CZ-CE1 3.72Å; F361-F388 HydrophobicContact CZ-CZ 4.36Å; I364-F388 HydrophobicContact CB-CB 4.47Å; I364-F388 HydrophobicContact CD1-CD1 3.96Å; I364-F388 PolarHBondContact O-N 2.87Å; F385-F388 HydrophobicContact CD2-CB 3.55Å; F385-F388 HydrophobicContact CD2-CD2 4.41Å; F385-F388 HydrophobicContact CD2-CG 4.36Å; F385-F388 HydrophobicContact CE2-CB 3.28Å; F385-F388 HydrophobicContact CE2-CD2 4.17Å; F385-F388 AromaticContact CE2-CG 3.9Å; F385-F388 HydrophobicContact CE2-CG 3.9Å; F385-F388 HydrophobicContact CZ-CB 4.23Å; F385-F388 HydrophobicContact CZ-CD2 4.46Å; F385-F388 HydrophobicContact CZ-CG 4.42Å; T386-F388 PolarHBondContact O-N 3.03Å; F388-A390 VanDerWaalsContact CE2-O 3.23Å; F388-A390 WeakPolarHBondContact CE2-O 3.31Å; F388-L391 HydrophobicContact CE2-CB 3.77Å; F388-L391 HydrophobicContact CZ-CB 3.66Å; F388-L400 HydrophobicContact CD2-CD2 4.46Å; F388-L400 HydrophobicContact CE2-CD2 3.98Å
389K71Confident81.7Confident39 Ų3931 Ų3117%0.1715%0.149CC..EExtended strand (participates in β ladder)trans-104.4-47.6173.3-66.8-174.9172.6-177.30112F361 Y387 L401 S427F361-K389 VanDerWaalsContact CD2-O 3.28Å; F361-K389 WeakPolarHBondContact CD2-O 2.92Å; Y387-K389 PolarHBondContact O-N 3.19Å; K389-L401 HydrophobicContact CB-CB 4.44Å; K389-L401 HydrophobicContact CB-CD2 4.29Å; K389-L401 HydrophobicContact CB-CG 4.32Å; K389-L401 WeakPolarHBondContact CB-O 3.45Å; K389-L401 HydrophobicContact CD-CD2 4.35Å; K389-L401 HydrophobicContact CD-CG 4.44Å; K389-L401 PolarHBondContact N-O 2.73Å; K389-S427 PolarHBondContact NZ-OG 2.93Å
390A74.7Confident81.6Confident2 Ų230.7 Ų30.72%0.01715%0.148CC..EExtended strand (participates in β ladder)trans-162.7157.6-174.700000113.2T35 F388 F392 L401T35-A390 HydrophobicContact CG2-CB 4.13Å; F388-A390 VanDerWaalsContact CE2-O 3.23Å; F388-A390 WeakPolarHBondContact CE2-O 3.31Å; A390-F392 HydrophobicContact CB-CE1 3.67Å; A390-F392 HydrophobicContact CB-CE2 4.05Å; A390-F392 HydrophobicContact CB-CZ 3.23Å; A390-L401 PolarHBondContact N-O 2.66Å; A390-L401 PolarHBondContact O-N 3.21Å
391L82.6Confident81.2Confident14 Ų1431 Ų317%0.07315%0.149CC..EExtended strand (participates in β ladder)trans-123135.1177.8-177.5147.4000109.8E290 I297 L299 I369 F388 I393 I398 Y399 L400E290-L391 HydrophobicContact CB-CD2 4.25Å; E290-L391 HydrophobicContact CG-CD2 4.09Å; I297-L391 HydrophobicContact CG2-CD1 3.92Å; L299-L391 HydrophobicContact CD1-CB 4.31Å; L299-L391 HydrophobicContact CD1-CD1 3.74Å; L299-L391 HydrophobicContact CD2-CD1 4.45Å; L299-L391 HydrophobicContact CG-CD1 4.23Å; I369-L391 HydrophobicContact CD1-CD1 4.05Å; F388-L391 HydrophobicContact CE2-CB 3.77Å; F388-L391 HydrophobicContact CZ-CB 3.66Å; L391-I393 HydrophobicContact CD2-CD1 4.13Å; L391-I393 HydrophobicContact CD2-CG1 3.88Å; L391-I398 HydrophobicContact CD1-CG2 4.13Å; L391-I398 HydrophobicContact CD2-CG2 4.47Å; L391-I398 HydrophobicContact CG-CG2 4.23Å; L391-Y399 WeakPolarHBondContact CA-O 3.25Å; L391-L400 HydrophobicContact CB-CD2 4.11Å; L391-L400 HydrophobicContact CD1-CD2 3.65Å; L391-L400 HydrophobicContact CG-CD2 3.88Å
392F83.5Confident80.7Confident1 Ų131.3 Ų31.30%0.00415%0.151CC..EExtended strand (participates in β ladder)trans-132.7147.7178-40.7-64.2000111T35 Y37 I42 F44 A390 Y399 L401T35-F392 VanDerWaalsContact CB-CE1 3.47Å; T35-F392 HydrophobicContact CG2-CE1 3.78Å; T35-F392 HydrophobicContact CG2-CZ 4.07Å; T35-F392 WeakPolarHBondContact OG1-CE1 3.4Å; Y37-F392 HydrophobicContact CD1-CB 4.12Å; Y37-F392 HydrophobicContact CD1-CD1 4.23Å; Y37-F392 HydrophobicContact CG-CB 4.41Å; I42-F392 HydrophobicContact CD1-CB 4.16Å; I42-F392 HydrophobicContact CD1-CD2 4.13Å; I42-F392 HydrophobicContact CD1-CG 4.19Å; I42-F392 HydrophobicContact CG2-CB 4.49Å; I42-F392 HydrophobicContact CG2-CD1 3.74Å; I42-F392 HydrophobicContact CG2-CD2 4.12Å; I42-F392 HydrophobicContact CG2-CE1 3.99Å; I42-F392 HydrophobicContact CG2-CE2 4.31Å; I42-F392 HydrophobicContact CG2-CG 3.81Å; I42-F392 HydrophobicContact CG2-CZ 4.24Å; F44-F392 HydrophobicContact CD1-CZ 4.32Å; F44-F392 HydrophobicContact CE1-CE1 4.14Å; F44-F392 AromaticContact CE1-CE2 3.92Å; F44-F392 HydrophobicContact CE1-CE2 3.92Å; F44-F392 AromaticContact CE1-CZ 3.33Å; F44-F392 HydrophobicContact CE1-CZ 3.33Å; F44-F392 HydrophobicContact CZ-CE1 4.42Å; F44-F392 AromaticContact CZ-CE2 3.81Å; F44-F392 HydrophobicContact CZ-CE2 3.81Å; F44-F392 AromaticContact CZ-CZ 3.63Å; F44-F392 HydrophobicContact CZ-CZ 3.63Å; A390-F392 HydrophobicContact CB-CE1 3.67Å; A390-F392 HydrophobicContact CB-CE2 4.05Å; A390-F392 HydrophobicContact CB-CZ 3.23Å; F392-Y399 PolarHBondContact N-O 3.05Å; F392-Y399 PolarHBondContact O-N 2.97Å; F392-L401 HydrophobicContact CE2-CB 4.13Å
393I85.7Confident79.6Confident16 Ų1628.8 Ų28.88%0.08214%0.141CC..EExtended strand (participates in β ladder)trans-124.793.3177.9-58.3169.8000107.6Y37 E290 T291 Y292 I297 L391Y37-I393 HydrophobicContact CD2-CB 4.3Å; Y37-I393 WeakPolarHBondContact CD2-O 3.36Å; Y37-I393 HydrophobicContact CE2-CB 3.64Å; Y37-I393 HydrophobicContact CE2-CG1 4.49Å; Y37-I393 WeakPolarHBondContact CE2-O 3.06Å; E290-I393 HydrophobicContact CB-CD1 4.06Å; T291-I393 WeakPolarHBondContact O-CD1 3.33Å; Y292-I393 HydrophobicContact CD2-CG2 3.17Å; Y292-I393 HydrophobicContact CE2-CG2 3.84Å; Y292-I393 HydrophobicContact CG-CG2 3.86Å; I297-I393 HydrophobicContact CD1-CD1 3.63Å; I297-I393 HydrophobicContact CD1-CG1 4.19Å; L391-I393 HydrophobicContact CD2-CD1 4.13Å; L391-I393 HydrophobicContact CD2-CG1 3.88Å
394E84.2Confident78.3Confident34 Ų3429.7 Ų29.716%0.15915%0.148CC..EExtended strand (participates in β ladder)trans-149.1168.6-177.2-160.156.5-121.400108.9G38 G40 I42 N396 G397 Y399G38-E394 WeakPolarHBondContact CA-OE2 3.37Å; G38-E394 PolarHBondContact N-OE2 3.03Å; G40-E394 VanDerWaalsContact CA-OE1 3.27Å; G40-E394 WeakPolarHBondContact CA-OE1 3.47Å; G40-E394 PolarHBondContact N-OE1 3.03Å; I42-E394 HydrophobicContact CG1-CB 4.47Å; E394-N396 PolarHBondContact O-N 3.47Å; E394-G397 PolarHBondContact N-O 3.24Å; E394-G397 PolarHBondContact O-N 3.49Å; E394-G397 VanDerWaalsContact O-O 3.04Å; E394-Y399 WeakPolarHBondContact O-CE2 3.37Å
395W84Confident76.6Confident31 Ų3130.3 Ų30.312%0.11715%0.151CC..THydrogen-bonded Turntrans5531.5174.1-44.7-38.1000115.1G40 I42 D55 R56 G397 Y399G40-W395 PolarHBondContact O-NE1 3.09Å; I42-W395 HydrophobicContact CD1-CH2 3.39Å; I42-W395 HydrophobicContact CD1-CZ2 3.85Å; I42-W395 HydrophobicContact CD1-CZ3 3.77Å; I42-W395 HydrophobicContact CG1-CH2 4.03Å; I42-W395 HydrophobicContact CG1-CZ2 3.98Å; D55-W395 VanDerWaalsContact C-CZ2 3.44Å; D55-W395 VanDerWaalsContact O-CZ2 3.3Å; D55-W395 WeakPolarHBondContact O-CZ2 3.3Å; R56-W395 HydrophobicContact CB-CD2 4.32Å; R56-W395 HydrophobicContact CB-CG 4.33Å; R56-W395 HydrophobicContact CB-CZ2 4.43Å; R56-W395 HydrophobicContact CG-CD2 4.14Å; R56-W395 HydrophobicContact CG-CG 3.96Å; W395-G397 VanDerWaalsContact C-N 3.27Å; W395-G397 PolarHBondContact O-N 2.9Å; W395-Y399 HydrophobicContact CB-CE2 4.21Å; W395-Y399 HydrophobicContact CE3-CD1 4.45Å; W395-Y399 HydrophobicContact CE3-CD2 4.36Å; W395-Y399 AromaticContact CE3-CE1 3.88Å; W395-Y399 HydrophobicContact CE3-CE1 3.88Å; W395-Y399 AromaticContact CE3-CE2 3.82Å; W395-Y399 HydrophobicContact CE3-CE2 3.82Å; W395-Y399 AromaticContact CE3-CZ 3.54Å; W395-Y399 HydrophobicContact CZ3-CD1 4.43Å; W395-Y399 HydrophobicContact CZ3-CE1 4.15Å
396N82.1Confident74.9Confident129 Ų12933.8 Ų33.869%0.6918%0.175SC*.THydrogen-bonded Turntrans60.328.3-176-63.6-17.9000114.8Y292 E394Y292-N396 WeakPolarHBondContact OH-CA 3.27Å; Y292-N396 PolarHBondContact OH-O 2.71Å; E394-N396 PolarHBondContact O-N 3.47Å
397G85.9Confident73.2Confident0 Ų038.9 Ų38.90%019%0.192CC..EExtended strand (participates in β ladder)trans-144.7167.1175.900000112.9E394 W395E394-G397 PolarHBondContact N-O 3.24Å; E394-G397 PolarHBondContact O-N 3.49Å; E394-G397 VanDerWaalsContact O-O 3.04Å; W395-G397 VanDerWaalsContact C-N 3.27Å; W395-G397 PolarHBondContact O-N 2.9Å
398I88.4Confident71.4Confident0 Ų041.5 Ų41.50%021%0.211CC..EExtended strand (participates in β ladder)trans-101.9118.9170.9-54.2159.4000106.9F10 Y292 I297 I371 L391 L432F10-I398 HydrophobicContact CD1-CD1 4.43Å; F10-I398 HydrophobicContact CE1-CD1 3.88Å; F10-I398 HydrophobicContact CZ-CD1 4.47Å; Y292-I398 HydrophobicContact CD1-CD1 3.92Å; Y292-I398 HydrophobicContact CD1-CG1 3.87Å; Y292-I398 HydrophobicContact CE1-CG1 4.38Å; Y292-I398 HydrophobicContact CG-CD1 4.45Å; Y292-I398 HydrophobicContact CG-CG1 4.13Å; I297-I398 HydrophobicContact CD1-CD1 3.47Å; I297-I398 VanDerWaalsContact CD1-CD1 3.47Å; I297-I398 HydrophobicContact CD1-CG1 3.71Å; I297-I398 HydrophobicContact CD1-CG2 4.1Å; I297-I398 HydrophobicContact CG1-CD1 3.97Å; I371-I398 HydrophobicContact CD1-CD1 3.65Å; I371-I398 HydrophobicContact CG1-CD1 4.36Å; L391-I398 HydrophobicContact CD1-CG2 4.13Å; L391-I398 HydrophobicContact CD2-CG2 4.47Å; L391-I398 HydrophobicContact CG-CG2 4.23Å; I398-L432 HydrophobicContact CB-CB 4.21Å; I398-L432 PolarHBondContact N-O 3.26Å; I398-L432 PolarHBondContact O-N 2.99Å
399Y84.6Confident69.6Low28 Ų2851 Ų5111%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-108.5136.7-176-68.2-97.7000110.3V15 L391 F392 E394 W395 M429 I430 C431V15-Y399 HydrophobicContact CG2-CE1 4.3Å; L391-Y399 WeakPolarHBondContact CA-O 3.25Å; F392-Y399 PolarHBondContact N-O 3.05Å; F392-Y399 PolarHBondContact O-N 2.97Å; E394-Y399 WeakPolarHBondContact O-CE2 3.37Å; W395-Y399 HydrophobicContact CB-CE2 4.21Å; W395-Y399 HydrophobicContact CE3-CD1 4.45Å; W395-Y399 HydrophobicContact CE3-CD2 4.36Å; W395-Y399 AromaticContact CE3-CE1 3.88Å; W395-Y399 HydrophobicContact CE3-CE1 3.88Å; W395-Y399 AromaticContact CE3-CE2 3.82Å; W395-Y399 HydrophobicContact CE3-CE2 3.82Å; W395-Y399 AromaticContact CE3-CZ 3.54Å; W395-Y399 HydrophobicContact CZ3-CD1 4.43Å; W395-Y399 HydrophobicContact CZ3-CE1 4.15Å; Y399-M429 HydrophobicContact CD1-CG 4.14Å; Y399-M429 HydrophobicContact CD1-SD 3.73Å; Y399-M429 HydrophobicContact CE1-SD 4.38Å; Y399-I430 CarbonylContact C-O 3.47Å; Y399-I430 WeakPolarHBondContact CA-O 3.32Å; Y399-C431 HydrophobicContact CD1-CB 3.86Å; Y399-C431 HydrophobicContact CE1-CB 3.61Å; Y399-C431 VanDerWaalsContact CE1-SG 3.51Å
400L81.8Confident68Low3 Ų352.7 Ų52.72%0.01627%0.272CS..EExtended strand (participates in β ladder)trans-121.8128.5178.7-54.2169000108.8I369 F388 L391 M429 I430 L432I369-L400 HydrophobicContact CD1-CD1 3.33Å; I369-L400 HydrophobicContact CD1-CD2 3.19Å; I369-L400 HydrophobicContact CD1-CG 3.79Å; I369-L400 HydrophobicContact CG1-CD1 4.38Å; F388-L400 HydrophobicContact CD2-CD2 4.46Å; F388-L400 HydrophobicContact CE2-CD2 3.98Å; L391-L400 HydrophobicContact CB-CD2 4.11Å; L391-L400 HydrophobicContact CD1-CD2 3.65Å; L391-L400 HydrophobicContact CG-CD2 3.88Å; L400-M429 CarbonylContact O-C 3.41Å; L400-M429 WeakPolarHBondContact O-CA 3.09Å; L400-I430 HydrophobicContact CB-CB 4.3Å; L400-I430 PolarHBondContact N-O 3.06Å; L400-I430 PolarHBondContact O-N 3.33Å; L400-L432 HydrophobicContact CD1-CD1 4.32Å
401L76.9Confident66.1Low7 Ų757.5 Ų57.54%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-97.8113.6169.2-171.267.4000108.4F24 F44 K389 A390 F392F24-L401 HydrophobicContact CZ-CD1 4.27Å; F44-L401 HydrophobicContact CE1-CD2 4.16Å; K389-L401 HydrophobicContact CB-CB 4.44Å; K389-L401 HydrophobicContact CB-CD2 4.29Å; K389-L401 HydrophobicContact CB-CG 4.32Å; K389-L401 WeakPolarHBondContact CB-O 3.45Å; K389-L401 HydrophobicContact CD-CD2 4.35Å; K389-L401 HydrophobicContact CD-CG 4.44Å; K389-L401 PolarHBondContact N-O 2.73Å; A390-L401 PolarHBondContact N-O 2.66Å; A390-L401 PolarHBondContact O-N 3.21Å; F392-L401 HydrophobicContact CE2-CB 4.13Å
402C74.4Confident64Low7 Ų766 Ų665%0.04734%0.341CS..EExtended strand (participates in β ladder)trans-111.1144.3177.7-60.40000109.7T386 Y387 S427 K428T386-C402 WeakPolarHBondContact O-CB 3.47Å; Y387-C402 CarbonylContact O-C 3.58Å; Y387-C402 WeakPolarHBondContact O-CA 3.46Å; C402-S427 CarbonylContact O-C 3.56Å; C402-S427 WeakPolarHBondContact O-CA 3.45Å; C402-S427 WeakPolarHBondContact O-CB 3.16Å; C402-K428 PolarHBondContact N-O 2.92Å; C402-K428 PolarHBondContact O-N 3Å
403G64.4Low61.7Low9 Ų974.3 Ų74.39%0.09338%0.379CS..EExtended strand (participates in β ladder)trans-80.8162.2167.800000112Y387Y387-G403 PolarHBondContact O-N 3.17Å
404D59.6Low59.2Low45 Ų4578.4 Ų78.424%0.24141%0.405CS..  trans-87.8152.5170.9-99.5-39.2000113.6C406 T426 K428D404-C406 VanDerWaalsContact C-N 3.29Å; D404-C406 PolarHBondContact O-N 2.8Å; D404-T426 WeakPolarHBondContact CB-O 3.32Å; D404-T426 VanDerWaalsContact CB-OG1 3.27Å; D404-T426 WeakPolarHBondContact CB-OG1 3.09Å; D404-T426 PolarHBondContact N-O 3.43Å; D404-T426 WeakPolarHBondContact OD2-CB 3.44Å; D404-T426 PolarHBondContact OD2-OG1 3.5Å; D404-K428 WeakPolarHBondContact OD1-CE 3.41Å; D404-K428 IonicContact OD1-NZ 2.73Å; D404-K428 PolarHBondContact OD1-NZ 3.41Å; D404-K428 WeakPolarHBondContact OD2-CE 3.39Å; D404-K428 IonicContact OD2-NZ 3.58Å
405E48Very low56.8Low133 Ų13384.4 Ų84.462%0.62144%0.437SS*.  trans-70.873.7170-77.8-176.9178.800111.5Y387Y387-E405 HydrophobicContact CD2-CG 3.96Å; Y387-E405 HydrophobicContact CE2-CB 4.36Å; Y387-E405 HydrophobicContact CE2-CG 3.19Å
406C40.4Very low54.6Low83 Ų8387.6 Ų87.656%0.56146%0.464SS*.  trans-124.351.8171.8-800000112.1D404D404-C406 VanDerWaalsContact C-N 3.29Å; D404-C406 PolarHBondContact O-N 2.8Å
407F38Very low52.2Low168 Ų16888.1 Ų88.174%0.73747%0.467SS*.SBendtrans-117.2-5.2173.3-124.9-87.2000116.6
408N35Very low49.6Very low122 Ų12298 Ų9865%0.65251%0.51SS*.SBendtrans-128.15.2-170.6-79.7-16.7000118.4
409Q36.3Very low46.7Very low200 Ų200105.2 Ų105.294%0.93555%0.548SS*.SBendtrans-1250.6-176.7-86.3-174.7-800118.6
410S36.6Very low44Very low74 Ų74113.6 Ų113.652%0.51759%0.589SS.*SBendtrans-1252.7-178.957.40000116.3E412 T414S410-E412 VanDerWaalsContact C-N 3.33Å; S410-E412 PolarHBondContact O-N 3.35Å; S410-T414 PolarHBondContact O-OG1 3.33Å
411V36Very low41.4Very low104 Ų104117.5 Ų117.563%0.6362%0.621SS**THydrogen-bonded Turntrans-74.9-21.7-179.5-1790000112.6
412E37.1Very low39.4Very low193 Ų193123.6 Ų123.690%0.90266%0.658SS**THydrogen-bonded Turntrans-83.5-21.1179.2-72.7-168.3160.700114.7S410S410-E412 VanDerWaalsContact C-N 3.33Å; S410-E412 PolarHBondContact O-N 3.35Å
413E36.9Very low37.3Very low175 Ų175129 Ų12982%0.81869%0.691SS**THydrogen-bonded Turntrans-106.6-14.6-176.1-73.7-169.6160.900115.7
414T33Very low36Very low101 Ų101130.8 Ų130.862%0.6271%0.71SS**  trans-101.414.7-173.9490000115.7S410 S416S410-T414 PolarHBondContact O-OG1 3.33Å; T414-S416 PolarHBondContact O-N 2.83Å
415L33.5Very low35.3Very low161 Ų161131.5 Ų131.584%0.84372%0.716SS**THydrogen-bonded Turntrans-76.64.8173.1-85.8163000114.7
416S38.6Very low35.8Very low97 Ų97127.7 Ų127.768%0.67870%0.702SS**THydrogen-bonded Turntrans-103.5-12-176.964.90000116.6T414T414-S416 PolarHBondContact O-N 2.83Å
417N31.7Very low36.9Very low140 Ų140124.1 Ų124.175%0.74968%0.678SS**  trans-128.5114.3178.7-77.6-25.7000112.3D419N417-D419 PolarHBondContact O-N 3.26Å
418K30.4Very low38.5Very low209 Ų209121 Ų12191%0.90966%0.664SS**  trans-69.290169.8-72.5178.1173.5179.10109.3
419D28.3Very low40.5Very low150 Ų150115.7 Ų115.780%0.80264%0.635SS**  trans-141.8117149.3-82.6-42.2000106.3N417 A421N417-D419 PolarHBondContact O-N 3.26Å; D419-A421 PolarHBondContact O-N 3.17Å
420E27.7Very low42.7Very low205 Ų205106.8 Ų106.896%0.95859%0.594SS**  trans-66.873179.9-71.3178152.800110.3V422E420-V422 PolarHBondContact O-N 3.49Å
421A27.3Very low45.1Very low84 Ų84103.6 Ų103.669%0.69457%0.571SS**  trans-78.2103.8166.600000107.9D419 V423D419-A421 PolarHBondContact O-N 3.17Å; A421-V423 PolarHBondContact O-N 2.94Å
422V33.3Very low47.5Very low135 Ų13598.6 Ų98.682%0.81854%0.541SS*.  trans-47.6107.4168.4176.90000108.3E420 G424E420-V422 PolarHBondContact O-N 3.49Å; V422-G424 VanDerWaalsContact C-N 3.35Å; V422-G424 PolarHBondContact O-N 3.09Å
423V31.9Very low49.9Very low121 Ų12191.2 Ų91.273%0.73351%0.509SS*.  trans-63.995.2177.3178.90000107.8A421 T425A421-V423 PolarHBondContact O-N 2.94Å; V423-T425 PolarHBondContact O-N 3.18Å
424G36.9Very low52.3Low47 Ų4784.7 Ų84.749%0.48548%0.478SS..  trans-70.9110.617800000110.1V422 T426V422-G424 VanDerWaalsContact C-N 3.35Å; V422-G424 PolarHBondContact O-N 3.09Å; G424-T426 PolarHBondContact O-N 2.88Å; G424-T426 VanDerWaalsContact O-N 3.15Å
425T45.3Very low54.8Low60 Ų6081.6 Ų81.637%0.36846%0.457SS..  trans-68.5108169.751.50000109.2V423V423-T425 PolarHBondContact O-N 3.18Å
426T56.7Low57.1Low53 Ų5378.2 Ų78.233%0.32544%0.439SS..  trans-63.6142171.746.20000109.4D404 G424D404-T426 WeakPolarHBondContact CB-O 3.32Å; D404-T426 VanDerWaalsContact CB-OG1 3.27Å; D404-T426 WeakPolarHBondContact CB-OG1 3.09Å; D404-T426 PolarHBondContact N-O 3.43Å; D404-T426 WeakPolarHBondContact OD2-CB 3.44Å; D404-T426 PolarHBondContact OD2-OG1 3.5Å; G424-T426 PolarHBondContact O-N 2.88Å; G424-T426 VanDerWaalsContact O-N 3.15Å
427S65.1Low59Low8 Ų875.3 Ų75.36%0.05642%0.417CS..EExtended strand (participates in β ladder)trans-125.4134.4178.9-55.90000108.5K389 C402K389-S427 PolarHBondContact NZ-OG 2.93Å; C402-S427 CarbonylContact O-C 3.56Å; C402-S427 WeakPolarHBondContact O-CA 3.45Å; C402-S427 WeakPolarHBondContact O-CB 3.16Å
428K70.9Confident61.3Low103 Ų10373.5 Ų73.545%0.44841%0.405SS..EExtended strand (participates in β ladder)trans-105.4141.9-179.2-70.5172176.6158.40109.7C402 D404C402-K428 PolarHBondContact N-O 2.92Å; C402-K428 PolarHBondContact O-N 3Å; D404-K428 WeakPolarHBondContact OD1-CE 3.41Å; D404-K428 IonicContact OD1-NZ 2.73Å; D404-K428 PolarHBondContact OD1-NZ 3.41Å; D404-K428 WeakPolarHBondContact OD2-CE 3.39Å; D404-K428 IonicContact OD2-NZ 3.58Å
429M77.3Confident63.8Low9 Ų966.2 Ų66.24%0.04438%0.378CS..EExtended strand (participates in β ladder)trans-107.7120.9176-170.2-178.3-65.100110.1V15 F24 Y399 L400V15-M429 HydrophobicContact CB-CB 4.37Å; V15-M429 HydrophobicContact CG2-CG 4.31Å; V15-M429 HydrophobicContact CG2-SD 4.4Å; V15-M429 PolarHBondContact N-O 3.44Å; F24-M429 HydrophobicContact CE2-CE 3.81Å; F24-M429 HydrophobicContact CZ-CE 3.89Å; Y399-M429 HydrophobicContact CD1-CG 4.14Å; Y399-M429 HydrophobicContact CD1-SD 3.73Å; Y399-M429 HydrophobicContact CE1-SD 4.38Å; L400-M429 CarbonylContact O-C 3.41Å; L400-M429 WeakPolarHBondContact O-CA 3.09Å
430I82.1Confident66.4Low14 Ų1459.1 Ų59.17%0.07234%0.34CS..EExtended strand (participates in β ladder)trans-105.8129.7176.8-56173.3000107.9R12 Y399 L400 L432R12-I430 HydrophobicContact CG-CG2 3.77Å; Y399-I430 CarbonylContact C-O 3.47Å; Y399-I430 WeakPolarHBondContact CA-O 3.32Å; L400-I430 HydrophobicContact CB-CB 4.3Å; L400-I430 PolarHBondContact N-O 3.06Å; L400-I430 PolarHBondContact O-N 3.33Å; I430-L432 HydrophobicContact CG2-CD2 4.31Å
431C86.1Confident68.9Low6 Ų649.6 Ų49.64%0.04130%0.295CS..EExtended strand (participates in β ladder)trans-108.7128.6174.6-178.60000110.1K13 V15 Y399 T433K13-C431 PolarHBondContact N-O 2.83Å; K13-C431 PolarHBondContact O-N 3.34Å; V15-C431 HydrophobicContact CG2-CB 3.9Å; Y399-C431 HydrophobicContact CD1-CB 3.86Å; Y399-C431 HydrophobicContact CE1-CB 3.61Å; Y399-C431 VanDerWaalsContact CE1-SG 3.51Å; C431-T433 VanDerWaalsContact SG-CG2 3.5Å
432L88.2Confident71.5Confident0 Ų048.7 Ų48.70%028%0.279CS..EExtended strand (participates in β ladder)trans-104.8108.9170.1-50.9177000108.3F10 D11 R12 I371 F383 I398 L400 I430F10-L432 HydrophobicContact CD1-CB 4.29Å; D11-L432 WeakPolarHBondContact O-CA 3.29Å; R12-L432 HydrophobicContact CB-CD2 3.9Å; R12-L432 HydrophobicContact CG-CD2 4.22Å; I371-L432 HydrophobicContact CD1-CD1 4.08Å; F383-L432 HydrophobicContact CB-CD1 4.44Å; F383-L432 HydrophobicContact CD1-CD2 3.92Å; F383-L432 HydrophobicContact CD2-CD1 3.61Å; F383-L432 HydrophobicContact CD2-CD2 4.03Å; F383-L432 HydrophobicContact CD2-CG 4.43Å; F383-L432 HydrophobicContact CE1-CD2 4.09Å; F383-L432 HydrophobicContact CE2-CD1 4.05Å; F383-L432 HydrophobicContact CE2-CD2 4.19Å; F383-L432 HydrophobicContact CG-CD1 4.08Å; F383-L432 HydrophobicContact CG-CD2 3.88Å; F383-L432 HydrophobicContact CZ-CD2 4.23Å; I398-L432 HydrophobicContact CB-CB 4.21Å; I398-L432 PolarHBondContact N-O 3.26Å; I398-L432 PolarHBondContact O-N 2.99Å; L400-L432 HydrophobicContact CD1-CD1 4.32Å; I430-L432 HydrophobicContact CG2-CD2 4.31Å
433T87.4Confident73.8Confident37 Ų3744.5 Ų44.523%0.22725%0.251CS..EExtended strand (participates in β ladder)trans-103.5132.6178.153.70000110.3F10 D11 C431F10-T433 CarbonylContact C-O 3.57Å; F10-T433 WeakPolarHBondContact CA-O 3.36Å; D11-T433 PolarHBondContact N-O 3.4Å; D11-T433 PolarHBondContact O-N 3.49Å; C431-T433 VanDerWaalsContact SG-CG2 3.5Å
434E86.9Confident76.1Confident38 Ų3838.8 Ų38.818%0.17822%0.216CC..EExtended strand (participates in β ladder)trans-66.8134.1172.9-169-175.2176.600110F10 K293 Y295 K440F10-E434 HydrophobicContact CD1-CB 4.14Å; F10-E434 HydrophobicContact CE1-CB 3.68Å; F10-E434 HydrophobicContact CE1-CG 4.26Å; F10-E434 HydrophobicContact CE2-CG 4.27Å; F10-E434 HydrophobicContact CZ-CB 3.89Å; F10-E434 HydrophobicContact CZ-CG 3.95Å; K293-E434 WeakPolarHBondContact CD-OE2 3.46Å; K293-E434 IonicContact NZ-OE2 3.27Å; K293-E434 PolarHBondContact NZ-OE2 3.39Å; Y295-E434 HydrophobicContact CE2-CG 4.31Å; Y295-E434 VanDerWaalsContact CE2-OE1 3.32Å; Y295-E434 WeakPolarHBondContact CE2-OE1 3.41Å; Y295-E434 PolarHBondContact OH-OE1 3.21Å; E434-K440 IonicContact OE1-NZ 2.86Å; E434-K440 PolarHBondContact OE1-NZ 3.32Å
435K85.4Confident78.2Confident37 Ų3737.3 Ų37.316%0.16120%0.196CC..PPolyproline II helixtrans-63.7153173-71.2177.1179.7170.60110.9L8 L9 D11 T439 K440 M443L8-K435 PolarHBondContact O-NZ 3.44Å; L9-K435 WeakPolarHBondContact O-CB 3.42Å; L9-K435 WeakPolarHBondContact O-CG 3.28Å; L9-K435 PolarHBondContact O-N 3.49Å; D11-K435 WeakPolarHBondContact OD1-CE 3.3Å; D11-K435 IonicContact OD1-NZ 2.96Å; D11-K435 PolarHBondContact OD1-NZ 3.33Å; D11-K435 WeakPolarHBondContact OD2-CE 3.35Å; K435-T439 HydrophobicContact CD-CG2 4.23Å; K435-K440 HydrophobicContact CB-CG 4.18Å; K435-K440 WeakPolarHBondContact O-CE 3.39Å; K435-M443 HydrophobicContact CD-SD 3.84Å
436D82.3Confident79.9Confident89 Ų8938.8 Ų38.848%0.47621%0.209SC..PPolyproline II helixtrans-63.4150.6171.865.5-73.2000111.1Q438 T439 K440D436-Q438 VanDerWaalsContact C-N 3.27Å; D436-Q438 PolarHBondContact O-N 3.42Å; D436-Q438 PolarHBondContact OD2-N 3.4Å; D436-T439 PolarHBondContact O-N 3.05Å; D436-T439 WeakPolarHBondContact OD1-CB 3.25Å; D436-T439 PolarHBondContact OD1-OG1 3.35Å; D436-T439 WeakPolarHBondContact OD2-CB 3.36Å; D436-T439 PolarHBondContact OD2-N 2.91Å; D436-T439 PolarHBondContact OD2-OG1 2.97Å; D436-K440 WeakPolarHBondContact O-CG 3.28Å; D436-K440 PolarHBondContact O-N 3.03Å
437T77.9Confident81Confident36 Ų3641.5 Ų41.522%0.22122%0.216CC..Hα-helixtrans-61.8-35.5-174.2-560000112.8K440 L441 Q460 F462T437-K440 WeakPolarHBondContact O-CB 3.48Å; T437-K440 PolarHBondContact O-N 3.26Å; T437-L441 HydrophobicContact CG2-CD1 4.22Å; T437-L441 HydrophobicContact CG2-CG 4.27Å; T437-L441 WeakPolarHBondContact O-CG 3.37Å; T437-L441 PolarHBondContact O-N 3.19Å; T437-Q460 PolarHBondContact OG1-OE1 3.45Å; T437-F462 HydrophobicContact CG2-CE1 4.41Å; T437-F462 HydrophobicContact CG2-CE2 3.72Å; T437-F462 HydrophobicContact CG2-CZ 3.36Å
438Q80.7Confident81.7Confident103 Ų10347.4 Ų47.448%0.48124%0.241SC..Hα-helixtrans-63.6-47.2179-174.457.538.600111D436 K440 L441 D442D436-Q438 VanDerWaalsContact C-N 3.27Å; D436-Q438 PolarHBondContact O-N 3.42Å; D436-Q438 PolarHBondContact OD2-N 3.4Å; Q438-K440 VanDerWaalsContact C-N 3.3Å; Q438-K440 PolarHBondContact O-N 3.36Å; Q438-L441 PolarHBondContact O-N 3.06Å; Q438-L441 VanDerWaalsContact O-N 3.16Å; Q438-D442 PolarHBondContact NE2-OD2 3.32Å; Q438-D442 PolarHBondContact O-N 2.86Å
439T83Confident82.3Confident56 Ų5644.9 Ų44.934%0.34423%0.233SC..Hα-helixtrans-59.7-39.6173.4-60.80000111.9K435 D436 D442 M443K435-T439 HydrophobicContact CD-CG2 4.23Å; D436-T439 PolarHBondContact O-N 3.05Å; D436-T439 WeakPolarHBondContact OD1-CB 3.25Å; D436-T439 PolarHBondContact OD1-OG1 3.35Å; D436-T439 WeakPolarHBondContact OD2-CB 3.36Å; D436-T439 PolarHBondContact OD2-N 2.91Å; D436-T439 PolarHBondContact OD2-OG1 2.97Å; T439-D442 PolarHBondContact O-N 3.33Å; T439-M443 HydrophobicContact CG2-CG 4.44Å; T439-M443 HydrophobicContact CG2-SD 4.34Å; T439-M443 WeakPolarHBondContact O-CB 3.42Å; T439-M443 VanDerWaalsContact O-CG 3.25Å; T439-M443 WeakPolarHBondContact O-CG 3.34Å; T439-M443 PolarHBondContact O-N 2.85Å
440K81.4Confident82.6Confident1 Ų145 Ų450%0.00423%0.233CC..Hα-helixtrans-60.7-47.2174.5-63.3-179.1-174.1-179.80111.6L9 Y295 E434 K435 D436 T437 Q438 M443 L444L9-K440 HydrophobicContact CD1-CD 4.18Å; L9-K440 HydrophobicContact CD2-CB 4.38Å; L9-K440 HydrophobicContact CD2-CG 4.08Å; Y295-K440 PolarHBondContact OH-NZ 2.88Å; E434-K440 IonicContact OE1-NZ 2.86Å; E434-K440 PolarHBondContact OE1-NZ 3.32Å; K435-K440 HydrophobicContact CB-CG 4.18Å; K435-K440 WeakPolarHBondContact O-CE 3.39Å; D436-K440 WeakPolarHBondContact O-CG 3.28Å; D436-K440 PolarHBondContact O-N 3.03Å; T437-K440 WeakPolarHBondContact O-CB 3.48Å; T437-K440 PolarHBondContact O-N 3.26Å; Q438-K440 VanDerWaalsContact C-N 3.3Å; Q438-K440 PolarHBondContact O-N 3.36Å; K440-M443 WeakPolarHBondContact O-CB 3.48Å; K440-M443 PolarHBondContact O-N 2.81Å; K440-L444 VanDerWaalsContact O-CG 3.24Å; K440-L444 WeakPolarHBondContact O-CG 3.39Å; K440-L444 PolarHBondContact O-N 2.99Å
441L81.2Confident82.6Confident5 Ų548.7 Ų48.73%0.02625%0.253CS..Hα-helixtrans-61.6-44.8178.6-71.2175.4000110.7T437 Q438 M443 L444 F445 A453 F462 I470T437-L441 HydrophobicContact CG2-CD1 4.22Å; T437-L441 HydrophobicContact CG2-CG 4.27Å; T437-L441 WeakPolarHBondContact O-CG 3.37Å; T437-L441 PolarHBondContact O-N 3.19Å; Q438-L441 PolarHBondContact O-N 3.06Å; Q438-L441 VanDerWaalsContact O-N 3.16Å; L441-M443 PolarHBondContact O-N 3.19Å; L441-L444 CarbonylContact O-C 3.55Å; L441-L444 WeakPolarHBondContact O-CA 3.41Å; L441-L444 WeakPolarHBondContact O-CB 3.29Å; L441-L444 PolarHBondContact O-N 3.34Å; L441-F445 VanDerWaalsContact C-CD2 3.41Å; L441-F445 HydrophobicContact CB-CD2 4.27Å; L441-F445 HydrophobicContact CB-CE2 3.68Å; L441-F445 HydrophobicContact CB-CZ 4.15Å; L441-F445 HydrophobicContact CD2-CZ 4.43Å; L441-F445 WeakPolarHBondContact O-CD2 3.44Å; L441-F445 WeakPolarHBondContact O-CG 3.28Å; L441-F445 PolarHBondContact O-N 3.29Å; L441-A453 HydrophobicContact CD2-CB 3.81Å; L441-F462 HydrophobicContact CD1-CE1 3.79Å; L441-F462 HydrophobicContact CD1-CZ 4.18Å; L441-I470 HydrophobicContact CD1-CD1 4.31Å; L441-I470 HydrophobicContact CD2-CD1 4.12Å
442D82.4Confident82.3Confident64 Ų6448.6 Ų48.634%0.34225%0.252SS..Hα-helixtrans-66.6-35177.6-71.6-39.5000113.1Q438 T439 L444 F445 S446 R473Q438-D442 PolarHBondContact NE2-OD2 3.32Å; Q438-D442 PolarHBondContact O-N 2.86Å; T439-D442 PolarHBondContact O-N 3.33Å; D442-L444 VanDerWaalsContact C-N 3.31Å; D442-L444 PolarHBondContact O-N 3.45Å; D442-F445 PolarHBondContact O-N 3.01Å; D442-S446 WeakPolarHBondContact O-CB 3.48Å; D442-S446 PolarHBondContact O-N 3.01Å; D442-S446 PolarHBondContact O-OG 3.46Å; D442-R473 IonicContact OD1-NH1 3.67Å; D442-R473 PolarHBondContact OD1-NH1 3.47Å; D442-R473 VanDerWaalsContact OD1-NH1 3.14Å; D442-R473 IonicContact OD1-NH2 2.66Å
443M80.4Confident82Confident48 Ų4848.6 Ų48.624%0.23625%0.252CS..Hα-helixtrans-63-36.4168.5-74.4-177.771.600112.3K435 T439 K440 L441 S446 K447K435-M443 HydrophobicContact CD-SD 3.84Å; T439-M443 HydrophobicContact CG2-CG 4.44Å; T439-M443 HydrophobicContact CG2-SD 4.34Å; T439-M443 WeakPolarHBondContact O-CB 3.42Å; T439-M443 VanDerWaalsContact O-CG 3.25Å; T439-M443 WeakPolarHBondContact O-CG 3.34Å; T439-M443 PolarHBondContact O-N 2.85Å; K440-M443 WeakPolarHBondContact O-CB 3.48Å; K440-M443 PolarHBondContact O-N 2.81Å; L441-M443 PolarHBondContact O-N 3.19Å; M443-S446 WeakPolarHBondContact CA-OG 3.3Å; M443-S446 PolarHBondContact O-OG 3.48Å; M443-K447 WeakPolarHBondContact O-CB 3.45Å; M443-K447 WeakPolarHBondContact O-CG 3.39Å; M443-K447 PolarHBondContact O-N 2.69Å
444L81.1Confident81.8Confident0 Ų047.5 Ų47.50%024%0.244CC..Hα-helixtrans-73.6-40.8177-69.3164.4000111.9L7 K440 L441 D442 K447 K448 N449 L452 A453 I456L7-L444 HydrophobicContact CD1-CD2 3.79Å; L7-L444 HydrophobicContact CD2-CD2 4.19Å; K440-L444 VanDerWaalsContact O-CG 3.24Å; K440-L444 WeakPolarHBondContact O-CG 3.39Å; K440-L444 PolarHBondContact O-N 2.99Å; L441-L444 CarbonylContact O-C 3.55Å; L441-L444 WeakPolarHBondContact O-CA 3.41Å; L441-L444 WeakPolarHBondContact O-CB 3.29Å; L441-L444 PolarHBondContact O-N 3.34Å; D442-L444 VanDerWaalsContact C-N 3.31Å; D442-L444 PolarHBondContact O-N 3.45Å; L444-K447 CarbonylContact O-C 3.58Å; L444-K447 PolarHBondContact O-N 3.39Å; L444-K448 PolarHBondContact O-N 3.24Å; L444-N449 HydrophobicContact CD2-CB 4.17Å; L444-N449 PolarHBondContact O-N 3.5Å; L444-L452 HydrophobicContact CD2-CB 4.36Å; L444-L452 HydrophobicContact CD2-CD2 3.9Å; L444-L452 HydrophobicContact CD2-CG 4.12Å; L444-A453 HydrophobicContact CB-CB 4.13Å; L444-A453 HydrophobicContact CD1-CB 4.1Å; L444-I456 HydrophobicContact CD1-CD1 3.52Å
445F81.2Confident81.4Confident16 Ų1650.3 Ų50.37%0.0726%0.257CS..Hα-helixtrans-64.1-43.5176.2-62.4-40.9000111.8L441 D442 K447 K448 F450 A453 I470L441-F445 VanDerWaalsContact C-CD2 3.41Å; L441-F445 HydrophobicContact CB-CD2 4.27Å; L441-F445 HydrophobicContact CB-CE2 3.68Å; L441-F445 HydrophobicContact CB-CZ 4.15Å; L441-F445 HydrophobicContact CD2-CZ 4.43Å; L441-F445 WeakPolarHBondContact O-CD2 3.44Å; L441-F445 WeakPolarHBondContact O-CG 3.28Å; L441-F445 PolarHBondContact O-N 3.29Å; D442-F445 PolarHBondContact O-N 3.01Å; F445-K447 VanDerWaalsContact C-N 3.28Å; F445-K447 PolarHBondContact O-N 2.91Å; F445-K448 PolarHBondContact O-N 3.43Å; F445-F450 AromaticContact CD1-CD1 3.6Å; F445-F450 HydrophobicContact CD1-CD1 3.6Å; F445-F450 AromaticContact CD1-CE1 3.45Å; F445-F450 HydrophobicContact CD1-CE1 3.45Å; F445-F450 VanDerWaalsContact CD1-CE1 3.45Å; F445-F450 HydrophobicContact CD1-CZ 4.37Å; F445-F450 AromaticContact CE1-CD1 3.82Å; F445-F450 HydrophobicContact CE1-CD1 3.82Å; F445-F450 HydrophobicContact CE1-CE1 4.01Å; F445-F450 HydrophobicContact CG-CE1 4.37Å; F445-A453 HydrophobicContact CD1-CB 4.45Å; F445-A453 HydrophobicContact CE1-CB 3.83Å; F445-A453 HydrophobicContact CZ-CB 4.36Å; F445-I470 HydrophobicContact CE1-CG2 4Å; F445-I470 HydrophobicContact CZ-CB 4.49Å; F445-I470 HydrophobicContact CZ-CG1 4.08Å; F445-I470 HydrophobicContact CZ-CG2 4.15Å
446S80.4Confident81Confident91 Ų9148.8 Ų48.864%0.63625%0.251SS*.Hα-helixtrans-62.9-34.9175.156.30000112.5D442 M443 K448D442-S446 WeakPolarHBondContact O-CB 3.48Å; D442-S446 PolarHBondContact O-N 3.01Å; D442-S446 PolarHBondContact O-OG 3.46Å; M443-S446 WeakPolarHBondContact CA-OG 3.3Å; M443-S446 PolarHBondContact O-OG 3.48Å; S446-K448 VanDerWaalsContact C-N 3.27Å; S446-K448 PolarHBondContact O-N 3.47Å
447K79.9Confident81Confident111 Ų11144.5 Ų44.548%0.48323%0.228SC..THydrogen-bonded Turntrans-81.84.2172.4-69.6-173.7178.1-1730114.5M443 L444 F445 N449M443-K447 WeakPolarHBondContact O-CB 3.45Å; M443-K447 WeakPolarHBondContact O-CG 3.39Å; M443-K447 PolarHBondContact O-N 2.69Å; L444-K447 CarbonylContact O-C 3.58Å; L444-K447 PolarHBondContact O-N 3.39Å; F445-K447 VanDerWaalsContact C-N 3.28Å; F445-K447 PolarHBondContact O-N 2.91Å; K447-N449 PolarHBondContact O-N 2.88Å
448K80Confident81Confident131 Ų13148.5 Ų48.557%0.5724%0.243SC*.THydrogen-bonded Turntrans58.125.9-178.3-56.1174.9172.8-177.70114.5L444 F445 S446 F450 H477L444-K448 PolarHBondContact O-N 3.24Å; F445-K448 PolarHBondContact O-N 3.43Å; S446-K448 VanDerWaalsContact C-N 3.27Å; S446-K448 PolarHBondContact O-N 3.47Å; K448-F450 HydrophobicContact CB-CE2 4.33Å; K448-F450 PolarHBondContact O-N 2.76Å; K448-H477 WeakPolarHBondContact CD-NE2 3.27Å
449N82.2Confident80.6Confident51 Ų5145.2 Ų45.227%0.27323%0.231SC..  trans-97.565.2-178.5-79.1-30.2000112L444 K447 L452 A453L444-N449 HydrophobicContact CD2-CB 4.17Å; L444-N449 PolarHBondContact O-N 3.5Å; K447-N449 PolarHBondContact O-N 2.88Å; N449-L452 PolarHBondContact O-N 3.41Å; N449-A453 PolarHBondContact O-N 3.47Å
450F84.4Confident80.2Confident12 Ų1245.4 Ų45.45%0.05323%0.228CC..Hα-helixtrans-67.6-38-175.3-64.6-86.9000114.2F445 K448 L452 A453 I454 R473 Y474 H477F445-F450 AromaticContact CD1-CD1 3.6Å; F445-F450 HydrophobicContact CD1-CD1 3.6Å; F445-F450 AromaticContact CD1-CE1 3.45Å; F445-F450 HydrophobicContact CD1-CE1 3.45Å; F445-F450 VanDerWaalsContact CD1-CE1 3.45Å; F445-F450 HydrophobicContact CD1-CZ 4.37Å; F445-F450 AromaticContact CE1-CD1 3.82Å; F445-F450 HydrophobicContact CE1-CD1 3.82Å; F445-F450 HydrophobicContact CE1-CE1 4.01Å; F445-F450 HydrophobicContact CG-CE1 4.37Å; K448-F450 HydrophobicContact CB-CE2 4.33Å; K448-F450 PolarHBondContact O-N 2.76Å; F450-L452 VanDerWaalsContact C-N 3.25Å; F450-L452 PolarHBondContact O-N 3.48Å; F450-A453 WeakPolarHBondContact O-CA 3.29Å; F450-A453 WeakPolarHBondContact O-CB 3.37Å; F450-A453 PolarHBondContact O-N 3.4Å; F450-I454 WeakPolarHBondContact O-CG1 3.28Å; F450-I454 PolarHBondContact O-N 3.09Å; F450-R473 HydrophobicContact CE1-CB 4.06Å; F450-Y474 HydrophobicContact CB-CD1 4.17Å; F450-Y474 HydrophobicContact CB-CD2 3.32Å; F450-Y474 HydrophobicContact CB-CE2 3.89Å; F450-Y474 HydrophobicContact CB-CG 3.49Å; F450-Y474 VanDerWaalsContact CB-CG 3.49Å; F450-Y474 HydrophobicContact CD1-CD2 4.17Å; F450-Y474 HydrophobicContact CD1-CG 4.25Å; F450-Y474 AromaticContact CD2-CD2 3.55Å; F450-Y474 HydrophobicContact CD2-CD2 3.55Å; F450-Y474 HydrophobicContact CD2-CE2 4.13Å; F450-Y474 HydrophobicContact CD2-CG 4.4Å; F450-Y474 HydrophobicContact CE2-CD2 4.41Å; F450-Y474 AromaticContact CG-CD2 3.4Å; F450-Y474 HydrophobicContact CG-CD2 3.4Å; F450-Y474 VanDerWaalsContact CG-CD2 3.4Å; F450-Y474 HydrophobicContact CG-CE2 4.23Å; F450-Y474 AromaticContact CG-CG 3.81Å; F450-Y474 HydrophobicContact CG-CG 3.81Å; F450-H477 AromaticContact CD2-ND1 3.95Å; F450-H477 HydrophobicContact CE2-CB 3.68Å; F450-H477 AromaticContact CE2-CD2 3.88Å; F450-H477 AromaticContact CE2-CE1 3.85Å; F450-H477 AromaticContact CE2-CG 3.38Å; F450-H477 AromaticContact CE2-ND1 3.41Å; F450-H477 WeakPolarHBondContact CE2-ND1 3.38Å; F450-H477 HydrophobicContact CZ-CB 3.64Å; F450-H477 AromaticContact CZ-CG 3.81Å
451N83Confident79.8Confident91 Ų9151.5 Ų51.549%0.48726%0.256SS..Hα-helixtrans-58.3-40.5178.7-67.7-21000111.9I454 E455N451-I454 WeakPolarHBondContact O-CB 3.5Å; N451-I454 PolarHBondContact O-N 2.87Å; N451-E455 WeakPolarHBondContact O-CG 3.48Å; N451-E455 PolarHBondContact O-N 2.81Å
452L78.4Confident79.5Confident4 Ų453.5 Ų53.52%0.02127%0.265CS..Hα-helixtrans-73.1-33.5177.5-175.655.1000112L7 F378 L444 N449 F450 I454 E455 I456L7-L452 HydrophobicContact CD1-CD2 3.48Å; L7-L452 VanDerWaalsContact CD1-CD2 3.48Å; F378-L452 HydrophobicContact CD1-CD1 3.79Å; F378-L452 HydrophobicContact CD1-CD2 4.39Å; F378-L452 HydrophobicContact CE1-CD1 3.99Å; L444-L452 HydrophobicContact CD2-CB 4.36Å; L444-L452 HydrophobicContact CD2-CD2 3.9Å; L444-L452 HydrophobicContact CD2-CG 4.12Å; N449-L452 PolarHBondContact O-N 3.41Å; F450-L452 VanDerWaalsContact C-N 3.25Å; F450-L452 PolarHBondContact O-N 3.48Å; L452-I454 VanDerWaalsContact C-N 3.28Å; L452-I454 PolarHBondContact O-N 3.31Å; L452-E455 HydrophobicContact CD1-CB 4.46Å; L452-E455 PolarHBondContact O-N 2.78Å; L452-I456 HydrophobicContact CD1-CD1 4.1Å; L452-I456 HydrophobicContact CD1-CG1 4.23Å; L452-I456 HydrophobicContact CG-CD1 3.92Å; L452-I456 HydrophobicContact CG-CG1 4.5Å; L452-I456 WeakPolarHBondContact O-CB 3.39Å; L452-I456 VanDerWaalsContact O-CG1 3.31Å; L452-I456 WeakPolarHBondContact O-CG1 3.44Å; L452-I456 PolarHBondContact O-N 3.05Å
453A82.8Confident79.4Confident0 Ų053.9 Ų53.90%027%0.266CS..Hα-helixtrans-61.4-39.8171.300000111.4L441 L444 F445 N449 F450 A457 I470L441-A453 HydrophobicContact CD2-CB 3.81Å; L444-A453 HydrophobicContact CB-CB 4.13Å; L444-A453 HydrophobicContact CD1-CB 4.1Å; F445-A453 HydrophobicContact CD1-CB 4.45Å; F445-A453 HydrophobicContact CE1-CB 3.83Å; F445-A453 HydrophobicContact CZ-CB 4.36Å; N449-A453 PolarHBondContact O-N 3.47Å; F450-A453 WeakPolarHBondContact O-CA 3.29Å; F450-A453 WeakPolarHBondContact O-CB 3.37Å; F450-A453 PolarHBondContact O-N 3.4Å; A453-A457 VanDerWaalsContact O-CB 3.26Å; A453-A457 WeakPolarHBondContact O-CB 3.23Å; A453-A457 PolarHBondContact O-N 3.18Å; A453-I470 HydrophobicContact CB-CG2 4.23Å
454I83.1Confident79.3Confident13 Ų1358.7 Ų58.77%0.06729%0.289CS..Hα-helixtrans-66.4-45.4175.3-65.7159.6000111F450 N451 L452 A457 K458 L467 I470 F471 Y474F450-I454 WeakPolarHBondContact O-CG1 3.28Å; F450-I454 PolarHBondContact O-N 3.09Å; N451-I454 WeakPolarHBondContact O-CB 3.5Å; N451-I454 PolarHBondContact O-N 2.87Å; L452-I454 VanDerWaalsContact C-N 3.28Å; L452-I454 PolarHBondContact O-N 3.31Å; I454-A457 PolarHBondContact O-N 3.24Å; I454-K458 HydrophobicContact CG2-CD 4.1Å; I454-K458 HydrophobicContact CG2-CG 4.46Å; I454-K458 WeakPolarHBondContact O-CB 3.5Å; I454-K458 VanDerWaalsContact O-CG 3.3Å; I454-K458 WeakPolarHBondContact O-CG 3.44Å; I454-K458 PolarHBondContact O-N 3.19Å; I454-L467 HydrophobicContact CG2-CD1 4.3Å; I454-I470 HydrophobicContact CG1-CG2 3.6Å; I454-F471 HydrophobicContact CD1-CD1 3.78Å; I454-F471 HydrophobicContact CD1-CE1 3.54Å; I454-F471 HydrophobicContact CD1-CZ 4.44Å; I454-F471 HydrophobicContact CG1-CD1 4.35Å; I454-F471 HydrophobicContact CG1-CE1 4.06Å; I454-F471 HydrophobicContact CG2-CE1 4.11Å; I454-F471 HydrophobicContact CG2-CZ 3.98Å; I454-Y474 HydrophobicContact CD1-CD1 4.08Å
455E77.7Confident79.4Confident97 Ų9762.5 Ų62.545%0.45331%0.309SS..Hα-helixtrans-60.8-45.6176.7-74.8172.217600111.5N451 L452 K458 S459N451-E455 WeakPolarHBondContact O-CG 3.48Å; N451-E455 PolarHBondContact O-N 2.81Å; L452-E455 HydrophobicContact CD1-CB 4.46Å; L452-E455 PolarHBondContact O-N 2.78Å; E455-K458 PolarHBondContact O-N 3.3Å; E455-S459 WeakPolarHBondContact O-CB 3.43Å; E455-S459 PolarHBondContact O-N 3.45Å; E455-S459 PolarHBondContact O-OG 3.39Å
456I78Confident79.5Confident5 Ų566.5 Ų66.53%0.02633%0.328CS..Hα-helixtrans-62.1-48176.7-72.3165.3000110.6F378 L444 L452 K458 S459 Q460F378-I456 HydrophobicContact CE1-CD1 4.01Å; F378-I456 HydrophobicContact CE1-CG1 4.14Å; F378-I456 HydrophobicContact CZ-CD1 4.1Å; F378-I456 HydrophobicContact CZ-CG1 4.49Å; L444-I456 HydrophobicContact CD1-CD1 3.52Å; L452-I456 HydrophobicContact CD1-CD1 4.1Å; L452-I456 HydrophobicContact CD1-CG1 4.23Å; L452-I456 HydrophobicContact CG-CD1 3.92Å; L452-I456 HydrophobicContact CG-CG1 4.5Å; L452-I456 WeakPolarHBondContact O-CB 3.39Å; L452-I456 VanDerWaalsContact O-CG1 3.31Å; L452-I456 WeakPolarHBondContact O-CG1 3.44Å; L452-I456 PolarHBondContact O-N 3.05Å; I456-K458 VanDerWaalsContact C-N 3.34Å; I456-K458 PolarHBondContact O-N 2.75Å; I456-S459 WeakPolarHBondContact CA-OG 3.4Å; I456-S459 PolarHBondContact O-N 2.88Å; I456-S459 PolarHBondContact O-OG 3.1Å; I456-Q460 WeakPolarHBondContact O-CB 3.47Å; I456-Q460 WeakPolarHBondContact O-CG 3.39Å; I456-Q460 PolarHBondContact O-N 3.15Å
457A81.6Confident79.7Confident0 Ų063.5 Ų63.50%031%0.305CS..Hα-helixtrans-60.2-42.6178.700000112.3A453 I454 Q460 H461 F462 L467 I470A453-A457 VanDerWaalsContact O-CB 3.26Å; A453-A457 WeakPolarHBondContact O-CB 3.23Å; A453-A457 PolarHBondContact O-N 3.18Å; I454-A457 PolarHBondContact O-N 3.24Å; A457-Q460 CarbonylContact O-C 3.6Å; A457-Q460 PolarHBondContact O-N 3.44Å; A457-H461 PolarHBondContact O-N 2.99Å; A457-F462 HydrophobicContact CB-CB 4.06Å; A457-F462 HydrophobicContact CB-CD1 4.08Å; A457-F462 HydrophobicContact CB-CD2 4.33Å; A457-F462 HydrophobicContact CB-CG 3.87Å; A457-F462 WeakPolarHBondContact O-CB 3.45Å; A457-F462 WeakPolarHBondContact O-CD2 3.1Å; A457-F462 PolarHBondContact O-N 3.27Å; A457-L467 HydrophobicContact CB-CD1 4.02Å; A457-I470 HydrophobicContact CB-CD1 3.35Å
458K78.2Confident80Confident120 Ų12058.7 Ų58.752%0.52229%0.286SS..Hα-helixtrans-64.3-43.5174.6-74.6-179.8176.5-171.90112.2I454 E455 I456 Q460 H461 L467I454-K458 HydrophobicContact CG2-CD 4.1Å; I454-K458 HydrophobicContact CG2-CG 4.46Å; I454-K458 WeakPolarHBondContact O-CB 3.5Å; I454-K458 VanDerWaalsContact O-CG 3.3Å; I454-K458 WeakPolarHBondContact O-CG 3.44Å; I454-K458 PolarHBondContact O-N 3.19Å; E455-K458 PolarHBondContact O-N 3.3Å; I456-K458 VanDerWaalsContact C-N 3.34Å; I456-K458 PolarHBondContact O-N 2.75Å; K458-Q460 PolarHBondContact O-N 3.29Å; K458-H461 PolarHBondContact O-N 3.47Å; K458-H461 VanDerWaalsContact O-N 3.12Å; K458-L467 HydrophobicContact CG-CD1 4.21Å; K458-L467 HydrophobicContact CG-CD2 4.36Å
459S71.7Confident80.3Confident34 Ų3456.9 Ų56.924%0.23828%0.279CS..Hα-helixtrans-66.6-24178.773.20000113.3N376 E455 I456N376-S459 PolarHBondContact ND2-OG 2.86Å; E455-S459 WeakPolarHBondContact O-CB 3.43Å; E455-S459 PolarHBondContact O-N 3.45Å; E455-S459 PolarHBondContact O-OG 3.39Å; I456-S459 WeakPolarHBondContact CA-OG 3.4Å; I456-S459 PolarHBondContact O-N 2.88Å; I456-S459 PolarHBondContact O-OG 3.1Å
460Q74.8Confident80.6Confident60 Ų6054.6 Ų54.628%0.2827%0.267SS..THydrogen-bonded Turntrans-97.310.3175.8-66.1-165.2-4.200112.9T437 I456 A457 K458 F462T437-Q460 PolarHBondContact OG1-OE1 3.45Å; I456-Q460 WeakPolarHBondContact O-CB 3.47Å; I456-Q460 WeakPolarHBondContact O-CG 3.39Å; I456-Q460 PolarHBondContact O-N 3.15Å; A457-Q460 CarbonylContact O-C 3.6Å; A457-Q460 PolarHBondContact O-N 3.44Å; K458-Q460 PolarHBondContact O-N 3.29Å; Q460-F462 VanDerWaalsContact C-N 3.3Å; Q460-F462 HydrophobicContact CB-CD2 3.82Å; Q460-F462 HydrophobicContact CB-CE2 3.85Å; Q460-F462 PolarHBondContact O-N 2.89Å
461H73.2Confident80.8Confident128 Ų12854.9 Ų54.959%0.59327%0.268SS*.THydrogen-bonded Turntrans54.142.2178.5-56.7-69.9000114A457 K458A457-H461 PolarHBondContact O-N 2.99Å; K458-H461 PolarHBondContact O-N 3.47Å; K458-H461 VanDerWaalsContact O-N 3.12Å
462F75.2Confident81.1Confident48 Ų4854.2 Ų54.221%0.21126%0.258CS..  trans-56145.1171.7-86.1-131000110T437 L441 A457 Q460 E466T437-F462 HydrophobicContact CG2-CE1 4.41Å; T437-F462 HydrophobicContact CG2-CE2 3.72Å; T437-F462 HydrophobicContact CG2-CZ 3.36Å; L441-F462 HydrophobicContact CD1-CE1 3.79Å; L441-F462 HydrophobicContact CD1-CZ 4.18Å; A457-F462 HydrophobicContact CB-CB 4.06Å; A457-F462 HydrophobicContact CB-CD1 4.08Å; A457-F462 HydrophobicContact CB-CD2 4.33Å; A457-F462 HydrophobicContact CB-CG 3.87Å; A457-F462 WeakPolarHBondContact O-CB 3.45Å; A457-F462 WeakPolarHBondContact O-CD2 3.1Å; A457-F462 PolarHBondContact O-N 3.27Å; Q460-F462 VanDerWaalsContact C-N 3.3Å; Q460-F462 HydrophobicContact CB-CD2 3.82Å; Q460-F462 HydrophobicContact CB-CE2 3.85Å; Q460-F462 PolarHBondContact O-N 2.89Å; F462-E466 HydrophobicContact CB-CB 4.47Å; F462-E466 HydrophobicContact CD1-CB 3.7Å; F462-E466 HydrophobicContact CD1-CG 4.43Å; F462-E466 WeakPolarHBondContact CD1-OE2 3.24Å; F462-E466 HydrophobicContact CE1-CB 4.4Å; F462-E466 VanDerWaalsContact CE1-OE2 3.31Å; F462-E466 WeakPolarHBondContact CE1-OE2 3.47Å
463D80.7Confident81.6Confident71 Ų7157.9 Ų57.938%0.3827%0.272SS..  trans-65.8161.9176.580.8-13.2000110.5N465 E466 L467D463-N465 PolarHBondContact O-N 3.44Å; D463-N465 VanDerWaalsContact O-N 3.15Å; D463-N465 PolarHBondContact OD1-N 3.18Å; D463-N465 PolarHBondContact OD2-ND2 2.89Å; D463-E466 PolarHBondContact O-N 3.47Å; D463-E466 WeakPolarHBondContact OD1-CB 3.27Å; D463-E466 WeakPolarHBondContact OD1-CG 3.37Å; D463-E466 PolarHBondContact OD1-N 3.41Å; D463-L467 WeakPolarHBondContact O-CB 3.44Å; D463-L467 PolarHBondContact O-N 3.14Å
464E78.6Confident81.9Confident150 Ų15059.7 Ų59.770%0.70128%0.279SS*.Hα-helixtrans-62.9-22.6-179.1-65.2-173.316100112.6A468E464-A468 VanDerWaalsContact O-CB 3.23Å; E464-A468 WeakPolarHBondContact O-CB 3.27Å; E464-A468 PolarHBondContact O-N 3.18Å
465N83.2Confident82.2Confident80 Ų8059 Ų5943%0.42828%0.276SS..Hα-helixtrans-74.5-49.6-179.3-55.1-45.7000111.4D463 L467 A468 H469 K497D463-N465 PolarHBondContact O-N 3.44Å; D463-N465 VanDerWaalsContact O-N 3.15Å; D463-N465 PolarHBondContact OD1-N 3.18Å; D463-N465 PolarHBondContact OD2-ND2 2.89Å; N465-L467 VanDerWaalsContact C-N 3.3Å; N465-L467 PolarHBondContact O-N 3.22Å; N465-A468 WeakPolarHBondContact O-CB 3.49Å; N465-A468 PolarHBondContact O-N 3.23Å; N465-H469 PolarHBondContact O-N 3.45Å; N465-K497 WeakPolarHBondContact OD1-CD 3.24Å; N465-K497 WeakPolarHBondContact OD1-CE 3.3Å; N465-K497 PolarHBondContact OD1-NZ 3.44Å
466E82Confident82.8Confident99 Ų9955.5 Ų55.546%0.46326%0.26SS..Hα-helixtrans-63.7-40.5175.5-68.7174.4166.900109.8F462 D463 A468 H469 I470F462-E466 HydrophobicContact CB-CB 4.47Å; F462-E466 HydrophobicContact CD1-CB 3.7Å; F462-E466 HydrophobicContact CD1-CG 4.43Å; F462-E466 WeakPolarHBondContact CD1-OE2 3.24Å; F462-E466 HydrophobicContact CE1-CB 4.4Å; F462-E466 VanDerWaalsContact CE1-OE2 3.31Å; F462-E466 WeakPolarHBondContact CE1-OE2 3.47Å; D463-E466 PolarHBondContact O-N 3.47Å; D463-E466 WeakPolarHBondContact OD1-CB 3.27Å; D463-E466 WeakPolarHBondContact OD1-CG 3.37Å; D463-E466 PolarHBondContact OD1-N 3.41Å; E466-A468 PolarHBondContact O-N 3.4Å; E466-H469 WeakPolarHBondContact O-CB 3.39Å; E466-H469 PolarHBondContact O-N 3Å; E466-H469 VanDerWaalsContact O-N 3.13Å; E466-I470 WeakPolarHBondContact O-CG1 3.36Å; E466-I470 PolarHBondContact O-N 3.04Å; E466-I470 VanDerWaalsContact O-N 3.09Å
467L84.9Confident83.4Confident29 Ų2956.7 Ų56.715%0.15227%0.266CS..Hα-helixtrans-62.4-40.9174.7-16966.7000112.1I454 A457 K458 D463 N465 H469 I470 F471I454-L467 HydrophobicContact CG2-CD1 4.3Å; A457-L467 HydrophobicContact CB-CD1 4.02Å; K458-L467 HydrophobicContact CG-CD1 4.21Å; K458-L467 HydrophobicContact CG-CD2 4.36Å; D463-L467 WeakPolarHBondContact O-CB 3.44Å; D463-L467 PolarHBondContact O-N 3.14Å; N465-L467 VanDerWaalsContact C-N 3.3Å; N465-L467 PolarHBondContact O-N 3.22Å; L467-H469 VanDerWaalsContact C-N 3.29Å; L467-H469 PolarHBondContact O-N 3.42Å; L467-I470 WeakPolarHBondContact O-CB 3.37Å; L467-I470 PolarHBondContact O-N 3.49Å; L467-F471 HydrophobicContact CD1-CE2 4.18Å; L467-F471 HydrophobicContact CD2-CE2 3.83Å; L467-F471 HydrophobicContact CG-CD2 4.02Å; L467-F471 HydrophobicContact CG-CE2 3.58Å; L467-F471 HydrophobicContact CG-CZ 4.43Å; L467-F471 WeakPolarHBondContact O-CD2 3.38Å; L467-F471 PolarHBondContact O-N 2.88Å
468A86.2Confident83.7Confident10 Ų1057.2 Ų57.28%0.08327%0.268CS..Hα-helixtrans-62-36173.800000112.1E464 N465 E466 I470 F471 W472 T494 K497E464-A468 VanDerWaalsContact O-CB 3.23Å; E464-A468 WeakPolarHBondContact O-CB 3.27Å; E464-A468 PolarHBondContact O-N 3.18Å; N465-A468 WeakPolarHBondContact O-CB 3.49Å; N465-A468 PolarHBondContact O-N 3.23Å; E466-A468 PolarHBondContact O-N 3.4Å; A468-I470 VanDerWaalsContact C-N 3.34Å; A468-F471 PolarHBondContact O-N 3.22Å; A468-W472 WeakPolarHBondContact O-CB 3.46Å; A468-W472 PolarHBondContact O-N 2.74Å; A468-T494 VanDerWaalsContact O-CG2 3.31Å; A468-T494 WeakPolarHBondContact O-CG2 3.2Å; A468-K497 HydrophobicContact CB-CB 3.97Å; A468-K497 HydrophobicContact CB-CG 4.13Å
469H87.3Confident84.3Confident92 Ų9253.2 Ų53.243%0.42625%0.25SC..Hα-helixtrans-65-37.1174.3-176.1-100.4000112.2N465 E466 L467 W472 R473N465-H469 PolarHBondContact O-N 3.45Å; E466-H469 WeakPolarHBondContact O-CB 3.39Å; E466-H469 PolarHBondContact O-N 3Å; E466-H469 VanDerWaalsContact O-N 3.13Å; L467-H469 VanDerWaalsContact C-N 3.29Å; L467-H469 PolarHBondContact O-N 3.42Å; H469-W472 AromaticContact CD2-CE3 3.45Å; H469-W472 VanDerWaalsContact CD2-CE3 3.45Å; H469-W472 AromaticContact CD2-CZ3 3.59Å; H469-W472 AromaticContact NE2-CE3 3.73Å; H469-W472 AromaticContact NE2-CZ3 3.47Å; H469-W472 WeakPolarHBondContact NE2-CZ3 3.22Å; H469-W472 PolarHBondContact O-N 3.43Å; H469-R473 WeakPolarHBondContact O-CG 3.27Å; H469-R473 PolarHBondContact O-N 3.4Å
470I87Confident85Confident4 Ų458.5 Ų58.52%0.02127%0.269CS..Hα-helixtrans-65.2-47.6173.6-58.3178.4000110.7L441 F445 A453 I454 A457 E466 L467 A468 W472 R473 Y474L441-I470 HydrophobicContact CD1-CD1 4.31Å; L441-I470 HydrophobicContact CD2-CD1 4.12Å; F445-I470 HydrophobicContact CE1-CG2 4Å; F445-I470 HydrophobicContact CZ-CB 4.49Å; F445-I470 HydrophobicContact CZ-CG1 4.08Å; F445-I470 HydrophobicContact CZ-CG2 4.15Å; A453-I470 HydrophobicContact CB-CG2 4.23Å; I454-I470 HydrophobicContact CG1-CG2 3.6Å; A457-I470 HydrophobicContact CB-CD1 3.35Å; E466-I470 WeakPolarHBondContact O-CG1 3.36Å; E466-I470 PolarHBondContact O-N 3.04Å; E466-I470 VanDerWaalsContact O-N 3.09Å; L467-I470 WeakPolarHBondContact O-CB 3.37Å; L467-I470 PolarHBondContact O-N 3.49Å; A468-I470 VanDerWaalsContact C-N 3.34Å; I470-W472 VanDerWaalsContact C-N 3.29Å; I470-W472 PolarHBondContact O-N 3Å; I470-R473 PolarHBondContact O-N 2.92Å; I470-Y474 WeakPolarHBondContact O-CB 3.05Å; I470-Y474 PolarHBondContact O-N 3.35Å
471F88.4Confident85.7Confident18 Ų1860.7 Ų60.78%0.07928%0.279CS..Hα-helixtrans-60.3-39.5176.2-76.1-57000112I454 L467 A468 Y474 A475 E490 K493 T494I454-F471 HydrophobicContact CD1-CD1 3.78Å; I454-F471 HydrophobicContact CD1-CE1 3.54Å; I454-F471 HydrophobicContact CD1-CZ 4.44Å; I454-F471 HydrophobicContact CG1-CD1 4.35Å; I454-F471 HydrophobicContact CG1-CE1 4.06Å; I454-F471 HydrophobicContact CG2-CE1 4.11Å; I454-F471 HydrophobicContact CG2-CZ 3.98Å; L467-F471 HydrophobicContact CD1-CE2 4.18Å; L467-F471 HydrophobicContact CD2-CE2 3.83Å; L467-F471 HydrophobicContact CG-CD2 4.02Å; L467-F471 HydrophobicContact CG-CE2 3.58Å; L467-F471 HydrophobicContact CG-CZ 4.43Å; L467-F471 WeakPolarHBondContact O-CD2 3.38Å; L467-F471 PolarHBondContact O-N 2.88Å; A468-F471 PolarHBondContact O-N 3.22Å; F471-Y474 WeakPolarHBondContact O-CB 3.49Å; F471-Y474 PolarHBondContact O-N 2.9Å; F471-A475 WeakPolarHBondContact O-CB 3.18Å; F471-A475 PolarHBondContact O-N 3.45Å; F471-E490 VanDerWaalsContact CD1-OE2 3.22Å; F471-E490 WeakPolarHBondContact CD1-OE2 3.49Å; F471-K493 HydrophobicContact CD1-CB 4.37Å; F471-K493 HydrophobicContact CD1-CD 3.82Å; F471-K493 HydrophobicContact CD2-CB 4.11Å; F471-K493 HydrophobicContact CE1-CD 3.53Å; F471-K493 HydrophobicContact CE2-CB 4.38Å; F471-K493 HydrophobicContact CE2-CD 4.38Å; F471-K493 HydrophobicContact CG-CB 4.11Å; F471-K493 HydrophobicContact CG-CD 4.38Å; F471-K493 HydrophobicContact CZ-CD 3.86Å; F471-T494 HydrophobicContact CB-CG2 3.58Å
472W90.6Very high86.3Confident76 Ų7662.3 Ų62.329%0.28828%0.284SS..Hα-helixtrans-61.3-50.2174.9171.151.4000112.3A468 H469 I470 Y474 A475 D476 Y491 T494 L498 F502A468-W472 WeakPolarHBondContact O-CB 3.46Å; A468-W472 PolarHBondContact O-N 2.74Å; H469-W472 AromaticContact CD2-CE3 3.45Å; H469-W472 VanDerWaalsContact CD2-CE3 3.45Å; H469-W472 AromaticContact CD2-CZ3 3.59Å; H469-W472 AromaticContact NE2-CE3 3.73Å; H469-W472 AromaticContact NE2-CZ3 3.47Å; H469-W472 WeakPolarHBondContact NE2-CZ3 3.22Å; H469-W472 PolarHBondContact O-N 3.43Å; I470-W472 VanDerWaalsContact C-N 3.29Å; I470-W472 PolarHBondContact O-N 3Å; W472-Y474 PolarHBondContact O-N 2.9Å; W472-A475 PolarHBondContact O-N 3.5Å; W472-D476 PolarHBondContact O-N 3.3Å; W472-Y491 AromaticContact CD1-CE1 3.7Å; W472-T494 HydrophobicContact CB-CG2 4.18Å; W472-L498 HydrophobicContact CG-CD2 4.2Å; W472-F502 HydrophobicContact CZ2-CZ 4.23Å; W472-F502 AromaticContact NE1-CD1 3.95Å; W472-F502 AromaticContact NE1-CE1 3.26Å; W472-F502 VanDerWaalsContact NE1-CE1 3.26Å; W472-F502 AromaticContact NE1-CZ 3.67Å
473R87.8Confident87Confident82 Ų8263.3 Ų63.331%0.30929%0.292SS..Hα-helixtrans-60-36176.3-70.8-177.575.7172.41.6111.6D442 F450 H469 I470 H477D442-R473 IonicContact OD1-NH1 3.67Å; D442-R473 PolarHBondContact OD1-NH1 3.47Å; D442-R473 VanDerWaalsContact OD1-NH1 3.14Å; D442-R473 IonicContact OD1-NH2 2.66Å; F450-R473 HydrophobicContact CE1-CB 4.06Å; H469-R473 WeakPolarHBondContact O-CG 3.27Å; H469-R473 PolarHBondContact O-N 3.4Å; I470-R473 PolarHBondContact O-N 2.92Å; R473-H477 WeakPolarHBondContact O-CB 3.39Å; R473-H477 PolarHBondContact O-N 2.87Å; R473-H477 VanDerWaalsContact O-N 3.08Å
474Y90.1Very high87.6Confident37 Ų3762.7 Ų62.715%0.14529%0.285CS..Hα-helixtrans-67.6-46.7175.7-176-150.1000111.9F450 I454 I470 F471 W472 D476 H477 L478 E490F450-Y474 HydrophobicContact CB-CD1 4.17Å; F450-Y474 HydrophobicContact CB-CD2 3.32Å; F450-Y474 HydrophobicContact CB-CE2 3.89Å; F450-Y474 HydrophobicContact CB-CG 3.49Å; F450-Y474 VanDerWaalsContact CB-CG 3.49Å; F450-Y474 HydrophobicContact CD1-CD2 4.17Å; F450-Y474 HydrophobicContact CD1-CG 4.25Å; F450-Y474 AromaticContact CD2-CD2 3.55Å; F450-Y474 HydrophobicContact CD2-CD2 3.55Å; F450-Y474 HydrophobicContact CD2-CE2 4.13Å; F450-Y474 HydrophobicContact CD2-CG 4.4Å; F450-Y474 HydrophobicContact CE2-CD2 4.41Å; F450-Y474 AromaticContact CG-CD2 3.4Å; F450-Y474 HydrophobicContact CG-CD2 3.4Å; F450-Y474 VanDerWaalsContact CG-CD2 3.4Å; F450-Y474 HydrophobicContact CG-CE2 4.23Å; F450-Y474 AromaticContact CG-CG 3.81Å; F450-Y474 HydrophobicContact CG-CG 3.81Å; I454-Y474 HydrophobicContact CD1-CD1 4.08Å; I470-Y474 WeakPolarHBondContact O-CB 3.05Å; I470-Y474 PolarHBondContact O-N 3.35Å; F471-Y474 WeakPolarHBondContact O-CB 3.49Å; F471-Y474 PolarHBondContact O-N 2.9Å; W472-Y474 PolarHBondContact O-N 2.9Å; Y474-D476 PolarHBondContact O-N 3.29Å; Y474-H477 PolarHBondContact O-N 2.84Å; Y474-L478 HydrophobicContact CD1-CD1 4.38Å; Y474-L478 HydrophobicContact CD2-CD1 3.97Å; Y474-L478 HydrophobicContact CD2-CG 3.95Å; Y474-L478 HydrophobicContact CE1-CD1 4.05Å; Y474-L478 HydrophobicContact CE2-CD1 3.6Å; Y474-L478 HydrophobicContact CE2-CD2 3.86Å; Y474-L478 HydrophobicContact CE2-CG 3.64Å; Y474-L478 HydrophobicContact CG-CD1 4.35Å; Y474-L478 WeakPolarHBondContact O-CG 3.26Å; Y474-L478 PolarHBondContact O-N 3.14Å; Y474-E490 HydrophobicContact CD1-CB 4.32Å; Y474-E490 HydrophobicContact CD1-CG 3.56Å; Y474-E490 HydrophobicContact CE1-CG 3.65Å; Y474-E490 HydrophobicContact CG-CG 4.41Å
475A89.5Confident88.2Confident0 Ų059.5 Ų59.50%027%0.272CS..Hα-helixtrans-61-43.1178.100000112.2F471 W472 L478 Y479 S487 E490 Y491F471-A475 WeakPolarHBondContact O-CB 3.18Å; F471-A475 PolarHBondContact O-N 3.45Å; W472-A475 PolarHBondContact O-N 3.5Å; A475-L478 PolarHBondContact O-N 3.16Å; A475-Y479 WeakPolarHBondContact O-CB 3.3Å; A475-Y479 PolarHBondContact O-N 2.76Å; A475-S487 PolarHBondContact O-OG 3.1Å; A475-E490 HydrophobicContact CB-CB 3.75Å; A475-Y491 HydrophobicContact CB-CD1 3.79Å; A475-Y491 HydrophobicContact CB-CD2 3.59Å; A475-Y491 HydrophobicContact CB-CE1 3.88Å; A475-Y491 HydrophobicContact CB-CE2 3.64Å; A475-Y491 HydrophobicContact CB-CG 3.64Å
476D90.3Very high88.5Confident22 Ų2256.1 Ų56.112%0.11826%0.256CS..Hα-helixtrans-68.2-34.7176.6-174.365.7000112.2W472 Y474 Y479 K480 R506W472-D476 PolarHBondContact O-N 3.3Å; Y474-D476 PolarHBondContact O-N 3.29Å; D476-Y479 WeakPolarHBondContact O-CB 3.47Å; D476-Y479 PolarHBondContact O-N 3.27Å; D476-K480 WeakPolarHBondContact O-CG 3.28Å; D476-K480 PolarHBondContact O-N 3Å; D476-K480 VanDerWaalsContact OD2-CE 3.32Å; D476-K480 WeakPolarHBondContact OD2-CE 3.46Å; D476-K480 IonicContact OD2-NZ 2.99Å; D476-K480 PolarHBondContact OD2-NZ 2.92Å; D476-R506 IonicContact OD1-CZ 3.85Å; D476-R506 IonicContact OD1-NH1 3.19Å; D476-R506 PolarHBondContact OD1-NH1 3.4Å
477H89.1Confident89Confident31 Ų3151.4 Ų51.414%0.14423%0.234CC..Hα-helixtrans-65.5-45172.4172-97.9000112.1K448 F450 R473 Y474 Y479 K480 Q481K448-H477 WeakPolarHBondContact CD-NE2 3.27Å; F450-H477 AromaticContact CD2-ND1 3.95Å; F450-H477 HydrophobicContact CE2-CB 3.68Å; F450-H477 AromaticContact CE2-CD2 3.88Å; F450-H477 AromaticContact CE2-CE1 3.85Å; F450-H477 AromaticContact CE2-CG 3.38Å; F450-H477 AromaticContact CE2-ND1 3.41Å; F450-H477 WeakPolarHBondContact CE2-ND1 3.38Å; F450-H477 HydrophobicContact CZ-CB 3.64Å; F450-H477 AromaticContact CZ-CG 3.81Å; R473-H477 WeakPolarHBondContact O-CB 3.39Å; R473-H477 PolarHBondContact O-N 2.87Å; R473-H477 VanDerWaalsContact O-N 3.08Å; Y474-H477 PolarHBondContact O-N 2.84Å; H477-Y479 VanDerWaalsContact C-N 3.31Å; H477-Y479 PolarHBondContact O-N 3.13Å; H477-K480 PolarHBondContact O-N 3.16Å; H477-Q481 VanDerWaalsContact CE1-CD 3.49Å; H477-Q481 PolarHBondContact CE1-NE2 2.79Å; H477-Q481 PolarHBondContact NE2-NE2 3.07Å; H477-Q481 WeakPolarHBondContact O-CG 3.33Å; H477-Q481 PolarHBondContact O-N 3.12Å; H477-Q481 VanDerWaalsContact O-N 3.08Å
478L88.6Confident89.4Confident10 Ų1050.3 Ų50.35%0.05223%0.228CC..Hα-helixtrans-62.1-39.8174.8-70.7171000111.6Y474 A475 K480 Q481 K482 D483 A486 E490Y474-L478 HydrophobicContact CD1-CD1 4.38Å; Y474-L478 HydrophobicContact CD2-CD1 3.97Å; Y474-L478 HydrophobicContact CD2-CG 3.95Å; Y474-L478 HydrophobicContact CE1-CD1 4.05Å; Y474-L478 HydrophobicContact CE2-CD1 3.6Å; Y474-L478 HydrophobicContact CE2-CD2 3.86Å; Y474-L478 HydrophobicContact CE2-CG 3.64Å; Y474-L478 HydrophobicContact CG-CD1 4.35Å; Y474-L478 WeakPolarHBondContact O-CG 3.26Å; Y474-L478 PolarHBondContact O-N 3.14Å; A475-L478 PolarHBondContact O-N 3.16Å; L478-K480 PolarHBondContact O-N 3.45Å; L478-Q481 CarbonylContact O-C 3.56Å; L478-Q481 WeakPolarHBondContact O-CA 3.48Å; L478-Q481 WeakPolarHBondContact O-CB 3.47Å; L478-Q481 PolarHBondContact O-N 2.99Å; L478-Q481 VanDerWaalsContact O-N 3.08Å; L478-K482 PolarHBondContact O-N 3.15Å; L478-D483 PolarHBondContact O-N 3.15Å; L478-D483 VanDerWaalsContact O-N 3.09Å; L478-A486 HydrophobicContact CD1-CB 3.86Å; L478-A486 HydrophobicContact CD2-CB 4.36Å; L478-E490 HydrophobicContact CD1-CG 3.87Å
479Y90.1Very high89.7Confident36 Ų3656.6 Ų56.614%0.14125%0.25CC..Hα-helixtrans-57.7-47.6174.1-171.3-89.8000111.4A475 D476 H477 Q481 K482 Y484 S487 R506 F507A475-Y479 WeakPolarHBondContact O-CB 3.3Å; A475-Y479 PolarHBondContact O-N 2.76Å; D476-Y479 WeakPolarHBondContact O-CB 3.47Å; D476-Y479 PolarHBondContact O-N 3.27Å; H477-Y479 VanDerWaalsContact C-N 3.31Å; H477-Y479 PolarHBondContact O-N 3.13Å; Y479-Q481 PolarHBondContact O-N 2.86Å; Y479-K482 PolarHBondContact O-N 3.47Å; Y479-Y484 AromaticContact CD2-CD1 3.86Å; Y479-Y484 HydrophobicContact CD2-CD1 3.86Å; Y479-Y484 HydrophobicContact CD2-CE1 4.06Å; Y479-Y484 AromaticContact CE2-CD1 3.82Å; Y479-Y484 HydrophobicContact CE2-CD1 3.82Å; Y479-Y484 AromaticContact CE2-CE1 3.8Å; Y479-Y484 HydrophobicContact CE2-CE1 3.8Å; Y479-S487 WeakPolarHBondContact CB-OG 3.29Å; Y479-R506 HydrophobicContact CE2-CB 4.06Å; Y479-R506 PolarHBondContact OH-O 3.26Å; Y479-F507 AromaticContact CD2-CE1 4Å; Y479-F507 HydrophobicContact CD2-CE1 4Å; Y479-F507 AromaticContact CD2-CE2 3.98Å; Y479-F507 HydrophobicContact CD2-CE2 3.98Å; Y479-F507 AromaticContact CD2-CZ 3.54Å; Y479-F507 HydrophobicContact CD2-CZ 3.54Å; Y479-F507 HydrophobicContact CE2-CD1 4.28Å; Y479-F507 HydrophobicContact CE2-CD2 4.46Å; Y479-F507 AromaticContact CE2-CE1 3.89Å; Y479-F507 HydrophobicContact CE2-CE1 3.89Å; Y479-F507 HydrophobicContact CE2-CE2 4.07Å; Y479-F507 AromaticContact CE2-CZ 3.79Å; Y479-F507 HydrophobicContact CE2-CZ 3.79Å
480K88.3Confident89.9Confident145 Ų14553.3 Ų53.363%0.6323%0.234SC*.Hα-helixtrans-63.4-27176-75.8166.9175.3155.50113.3D476 H477 L478 K482D476-K480 WeakPolarHBondContact O-CG 3.28Å; D476-K480 PolarHBondContact O-N 3Å; D476-K480 VanDerWaalsContact OD2-CE 3.32Å; D476-K480 WeakPolarHBondContact OD2-CE 3.46Å; D476-K480 IonicContact OD2-NZ 2.99Å; D476-K480 PolarHBondContact OD2-NZ 2.92Å; H477-K480 PolarHBondContact O-N 3.16Å; L478-K480 PolarHBondContact O-N 3.45Å; K480-K482 PolarHBondContact O-N 2.87Å
481Q88.6Confident90.2Very high107 Ų10753.1 Ų53.150%0.523%0.233SC..THydrogen-bonded Turntrans-79.9-0.6173.3-68.9-168-6.600113.7H477 L478 Y479 D483H477-Q481 VanDerWaalsContact CE1-CD 3.49Å; H477-Q481 PolarHBondContact CE1-NE2 2.79Å; H477-Q481 PolarHBondContact NE2-NE2 3.07Å; H477-Q481 WeakPolarHBondContact O-CG 3.33Å; H477-Q481 PolarHBondContact O-N 3.12Å; H477-Q481 VanDerWaalsContact O-N 3.08Å; L478-Q481 CarbonylContact O-C 3.56Å; L478-Q481 WeakPolarHBondContact O-CA 3.48Å; L478-Q481 WeakPolarHBondContact O-CB 3.47Å; L478-Q481 PolarHBondContact O-N 2.99Å; L478-Q481 VanDerWaalsContact O-N 3.08Å; Y479-Q481 PolarHBondContact O-N 2.86Å; Q481-D483 PolarHBondContact O-N 2.95Å
482K86.7Confident90.3Very high161 Ų16153.9 Ų53.970%0.724%0.238SC*.THydrogen-bonded Turntrans65.618.2-174-50.7-178.6176.1-175.80114.2L478 Y479 K480 Y484L478-K482 PolarHBondContact O-N 3.15Å; Y479-K482 PolarHBondContact O-N 3.47Å; K480-K482 PolarHBondContact O-N 2.87Å; K482-Y484 HydrophobicContact CB-CE2 4.11Å; K482-Y484 WeakPolarHBondContact O-CD2 3.39Å; K482-Y484 PolarHBondContact O-N 3.02Å
483D89.9Confident90.2Very high69 Ų6954.7 Ų54.737%0.36924%0.243SC..  trans-91.479.3170.5-171.3-10.4000109.3L478 Q481 A486 S487L478-D483 PolarHBondContact O-N 3.15Å; L478-D483 VanDerWaalsContact O-N 3.09Å; Q481-D483 PolarHBondContact O-N 2.95Å; D483-A486 HydrophobicContact CB-CB 4.44Å; D483-A486 VanDerWaalsContact CG-CB 3.42Å; D483-A486 VanDerWaalsContact OD1-CB 3.32Å; D483-A486 WeakPolarHBondContact OD1-CB 3.24Å; D483-A486 PolarHBondContact OD1-N 2.95Å; D483-A486 VanDerWaalsContact OD1-N 3.11Å; D483-A486 VanDerWaalsContact OD2-CB 3.3Å; D483-A486 WeakPolarHBondContact OD2-CB 3.11Å; D483-S487 WeakPolarHBondContact O-CB 3.29Å; D483-S487 PolarHBondContact O-N 3.41Å
484Y92.2Very high90.3Very high59 Ų5950.9 Ų50.923%0.23123%0.229CC..Hα-helixtrans-69.5-34.9-173.6-57.9-63000112.8Y479 K482 S487 I488 F507 H512Y479-Y484 AromaticContact CD2-CD1 3.86Å; Y479-Y484 HydrophobicContact CD2-CD1 3.86Å; Y479-Y484 HydrophobicContact CD2-CE1 4.06Å; Y479-Y484 AromaticContact CE2-CD1 3.82Å; Y479-Y484 HydrophobicContact CE2-CD1 3.82Å; Y479-Y484 AromaticContact CE2-CE1 3.8Å; Y479-Y484 HydrophobicContact CE2-CE1 3.8Å; K482-Y484 HydrophobicContact CB-CE2 4.11Å; K482-Y484 WeakPolarHBondContact O-CD2 3.39Å; K482-Y484 PolarHBondContact O-N 3.02Å; Y484-S487 PolarHBondContact O-N 3.23Å; Y484-I488 PolarHBondContact O-N 3.36Å; Y484-F507 HydrophobicContact CD1-CE1 4.18Å; Y484-H512 AromaticContact CD2-CE1 3.42Å; Y484-H512 VanDerWaalsContact CD2-CE1 3.42Å; Y484-H512 WeakPolarHBondContact CD2-CE1 3.25Å; Y484-H512 AromaticContact CD2-ND1 3.91Å; Y484-H512 AromaticContact CE2-CE1 3.3Å; Y484-H512 WeakPolarHBondContact CE2-CE1 3.05Å; Y484-H512 AromaticContact CE2-NE2 3.88Å; Y484-H512 AromaticContact CG-CE1 3.83Å; Y484-H512 AromaticContact CZ-CE1 3.64Å; Y484-H512 AromaticContact CZ-NE2 3.74Å
485D91.2Very high90.1Very high82 Ų8249.5 Ų49.544%0.43922%0.224SC..Hα-helixtrans-71.7-39.9-179.2-66.6-30.5000111.9I488 R489 Q515D485-I488 WeakPolarHBondContact O-CG2 3.35Å; D485-R489 WeakPolarHBondContact O-CG 3.09Å; D485-R489 PolarHBondContact O-N 2.77Å; D485-R489 PolarHBondContact O-NH1 2.86Å; D485-Q515 PolarHBondContact OD1-NE2 2.94Å
486A89.9Confident89.8Confident10 Ų1051.9 Ų51.98%0.08325%0.249CC..Hα-helixtrans-69.8-40.2171.500000111.1L478 D483 I488 R489 E490L478-A486 HydrophobicContact CD1-CB 3.86Å; L478-A486 HydrophobicContact CD2-CB 4.36Å; D483-A486 HydrophobicContact CB-CB 4.44Å; D483-A486 VanDerWaalsContact CG-CB 3.42Å; D483-A486 VanDerWaalsContact OD1-CB 3.32Å; D483-A486 WeakPolarHBondContact OD1-CB 3.24Å; D483-A486 PolarHBondContact OD1-N 2.95Å; D483-A486 VanDerWaalsContact OD1-N 3.11Å; D483-A486 VanDerWaalsContact OD2-CB 3.3Å; D483-A486 WeakPolarHBondContact OD2-CB 3.11Å; A486-I488 PolarHBondContact O-N 2.99Å; A486-R489 PolarHBondContact O-N 3.27Å; A486-E490 PolarHBondContact O-N 2.76Å
487S93Very high89.4Confident0 Ų056.3 Ų56.30%027%0.267CS..Hα-helixtrans-57.1-48.2178.7-179.50000112A475 Y479 D483 Y484 R489 E490 Y491A475-S487 PolarHBondContact O-OG 3.1Å; Y479-S487 WeakPolarHBondContact CB-OG 3.29Å; D483-S487 WeakPolarHBondContact O-CB 3.29Å; D483-S487 PolarHBondContact O-N 3.41Å; Y484-S487 PolarHBondContact O-N 3.23Å; S487-R489 VanDerWaalsContact C-N 3.35Å; S487-R489 PolarHBondContact O-N 3.37Å; S487-E490 PolarHBondContact O-N 3.34Å; S487-Y491 VanDerWaalsContact O-CD2 3.26Å; S487-Y491 WeakPolarHBondContact O-CD2 3.48Å; S487-Y491 PolarHBondContact O-N 3.4Å; S487-Y491 VanDerWaalsContact OG-CE2 3.24Å; S487-Y491 WeakPolarHBondContact OG-CE2 3.25Å
488I92.9Very high89.3Confident5 Ų556.8 Ų56.83%0.02627%0.27CS..Hα-helixtrans-66.6-36.5-177.7-156.564.1000112.3Y484 D485 A486 E490 Y491 I492 V503 F507 Q515 Y519Y484-I488 PolarHBondContact O-N 3.36Å; D485-I488 WeakPolarHBondContact O-CG2 3.35Å; A486-I488 PolarHBondContact O-N 2.99Å; I488-E490 VanDerWaalsContact C-N 3.26Å; I488-E490 PolarHBondContact O-N 3.42Å; I488-Y491 PolarHBondContact O-N 3.15Å; I488-I492 VanDerWaalsContact O-CG1 3.28Å; I488-I492 WeakPolarHBondContact O-CG1 3.45Å; I488-I492 PolarHBondContact O-N 3.32Å; I488-V503 HydrophobicContact CD1-CG1 3.95Å; I488-F507 HydrophobicContact CB-CZ 4.34Å; I488-F507 HydrophobicContact CD1-CD2 3.85Å; I488-F507 HydrophobicContact CD1-CE1 4.3Å; I488-F507 HydrophobicContact CD1-CE2 3.62Å; I488-F507 HydrophobicContact CD1-CG 4.3Å; I488-F507 HydrophobicContact CD1-CZ 3.86Å; I488-Q515 HydrophobicContact CB-CB 4.22Å; I488-Q515 HydrophobicContact CG1-CB 4.21Å; I488-Q515 WeakPolarHBondContact CG1-O 3.5Å; I488-Q515 HydrophobicContact CG2-CB 4.23Å; I488-Q515 HydrophobicContact CG2-CG 4.27Å; I488-Y519 HydrophobicContact CD1-CD2 4.16Å; I488-Y519 HydrophobicContact CD1-CG 4.13Å
489R92.4Very high89.2Confident143 Ų14363.2 Ų63.254%0.5430%0.3SS..Hα-helixtrans-61-36174.9-74.4-171.9-63.9-100.41.4112.4D485 A486 S487D485-R489 WeakPolarHBondContact O-CG 3.09Å; D485-R489 PolarHBondContact O-N 2.77Å; D485-R489 PolarHBondContact O-NH1 2.86Å; A486-R489 PolarHBondContact O-N 3.27Å; S487-R489 VanDerWaalsContact C-N 3.35Å; S487-R489 PolarHBondContact O-N 3.37Å
490E90.6Very high89.1Confident23 Ų2362.2 Ų62.211%0.10730%0.299CS..Hα-helixtrans-76.9-37175.6-60.6-55.813900111.9F471 Y474 A475 L478 A486 S487 I488 I492 K493F471-E490 VanDerWaalsContact CD1-OE2 3.22Å; F471-E490 WeakPolarHBondContact CD1-OE2 3.49Å; Y474-E490 HydrophobicContact CD1-CB 4.32Å; Y474-E490 HydrophobicContact CD1-CG 3.56Å; Y474-E490 HydrophobicContact CE1-CG 3.65Å; Y474-E490 HydrophobicContact CG-CG 4.41Å; A475-E490 HydrophobicContact CB-CB 3.75Å; L478-E490 HydrophobicContact CD1-CG 3.87Å; A486-E490 PolarHBondContact O-N 2.76Å; S487-E490 PolarHBondContact O-N 3.34Å; I488-E490 VanDerWaalsContact C-N 3.26Å; I488-E490 PolarHBondContact O-N 3.42Å; E490-I492 VanDerWaalsContact C-N 3.29Å; E490-I492 PolarHBondContact O-N 3.27Å; E490-K493 WeakPolarHBondContact O-CB 3.48Å; E490-K493 PolarHBondContact O-N 3.18Å; E490-K493 VanDerWaalsContact O-N 3.1Å; E490-K493 IonicContact OE1-NZ 2.66Å; E490-K493 PolarHBondContact OE1-NZ 3.48Å; E490-K493 WeakPolarHBondContact OE2-CD 3.44Å; E490-K493 WeakPolarHBondContact OE2-CE 3.12Å; E490-K493 IonicContact OE2-NZ 2.88Å; E490-K493 PolarHBondContact OE2-NZ 3.26Å
491Y93.4Very high89.1Confident0 Ų058.4 Ų58.40%029%0.291CS..Hα-helixtrans-61.6-33.8170.9-81.6-62.6000113.1W472 A475 S487 I488 K493 T494 L498 F502 V503 F507W472-Y491 AromaticContact CD1-CE1 3.7Å; A475-Y491 HydrophobicContact CB-CD1 3.79Å; A475-Y491 HydrophobicContact CB-CD2 3.59Å; A475-Y491 HydrophobicContact CB-CE1 3.88Å; A475-Y491 HydrophobicContact CB-CE2 3.64Å; A475-Y491 HydrophobicContact CB-CG 3.64Å; S487-Y491 VanDerWaalsContact O-CD2 3.26Å; S487-Y491 WeakPolarHBondContact O-CD2 3.48Å; S487-Y491 PolarHBondContact O-N 3.4Å; S487-Y491 VanDerWaalsContact OG-CE2 3.24Å; S487-Y491 WeakPolarHBondContact OG-CE2 3.25Å; I488-Y491 PolarHBondContact O-N 3.15Å; Y491-K493 PolarHBondContact O-N 3.13Å; Y491-T494 PolarHBondContact O-N 3.26Å; Y491-T494 PolarHBondContact O-OG1 3.33Å; Y491-L498 HydrophobicContact CD1-CD2 4Å; Y491-L498 HydrophobicContact CE1-CD2 4.07Å; Y491-F502 HydrophobicContact CE1-CD1 4.35Å; Y491-F502 HydrophobicContact CE1-CE1 4.1Å; Y491-V503 HydrophobicContact CD1-CG1 4.32Å; Y491-V503 HydrophobicContact CD1-CG2 3.55Å; Y491-V503 HydrophobicContact CD2-CG1 4.27Å; Y491-V503 HydrophobicContact CE1-CG2 4Å; Y491-V503 HydrophobicContact CG-CG1 4Å; Y491-V503 HydrophobicContact CG-CG2 4.06Å; Y491-F507 AromaticContact CD2-CE2 3.78Å; Y491-F507 HydrophobicContact CD2-CE2 3.78Å; Y491-F507 HydrophobicContact CD2-CZ 4.19Å; Y491-F507 AromaticContact CE2-CE2 3.8Å; Y491-F507 HydrophobicContact CE2-CE2 3.8Å; Y491-F507 HydrophobicContact CE2-CZ 4.24Å
492I91.7Very high89.1Confident33 Ų3355.9 Ų55.917%0.16928%0.278CS..Hα-helixtrans-60.9-32.4175-73.4165.8000111.3I488 E490 T494 I495 T518 Y519 A522I488-I492 VanDerWaalsContact O-CG1 3.28Å; I488-I492 WeakPolarHBondContact O-CG1 3.45Å; I488-I492 PolarHBondContact O-N 3.32Å; E490-I492 VanDerWaalsContact C-N 3.29Å; E490-I492 PolarHBondContact O-N 3.27Å; I492-T494 PolarHBondContact O-N 3.21Å; I492-I495 HydrophobicContact CB-CD1 4.25Å; I492-I495 HydrophobicContact CG1-CD1 4.32Å; I492-I495 HydrophobicContact CG2-CD1 4.05Å; I492-I495 WeakPolarHBondContact O-CB 3.22Å; I492-I495 WeakPolarHBondContact O-CD1 3.46Å; I492-I495 VanDerWaalsContact O-CG1 3.28Å; I492-I495 WeakPolarHBondContact O-CG1 3.24Å; I492-I495 PolarHBondContact O-N 3.34Å; I492-T518 HydrophobicContact CD1-CG2 3.94Å; I492-Y519 HydrophobicContact CG1-CD2 4.07Å; I492-A522 HydrophobicContact CB-CB 4.49Å; I492-A522 HydrophobicContact CD1-CB 4.09Å; I492-A522 HydrophobicContact CG1-CB 3.92Å; I492-A522 HydrophobicContact CG2-CB 3.8Å
493K87.3Confident89.3Confident94 Ų9448.2 Ų48.241%0.40925%0.245SC..THydrogen-bonded Turntrans-70.7-16.5177.3-60.3177.1-165.8162.80112.9F471 E490 Y491F471-K493 HydrophobicContact CD1-CB 4.37Å; F471-K493 HydrophobicContact CD1-CD 3.82Å; F471-K493 HydrophobicContact CD2-CB 4.11Å; F471-K493 HydrophobicContact CE1-CD 3.53Å; F471-K493 HydrophobicContact CE2-CB 4.38Å; F471-K493 HydrophobicContact CE2-CD 4.38Å; F471-K493 HydrophobicContact CG-CB 4.11Å; F471-K493 HydrophobicContact CG-CD 4.38Å; F471-K493 HydrophobicContact CZ-CD 3.86Å; E490-K493 WeakPolarHBondContact O-CB 3.48Å; E490-K493 PolarHBondContact O-N 3.18Å; E490-K493 VanDerWaalsContact O-N 3.1Å; E490-K493 IonicContact OE1-NZ 2.66Å; E490-K493 PolarHBondContact OE1-NZ 3.48Å; E490-K493 WeakPolarHBondContact OE2-CD 3.44Å; E490-K493 WeakPolarHBondContact OE2-CE 3.12Å; E490-K493 IonicContact OE2-NZ 2.88Å; E490-K493 PolarHBondContact OE2-NZ 3.26Å; Y491-K493 PolarHBondContact O-N 3.13Å
494T89.9Confident89.3Confident1 Ų145.8 Ų45.81%0.00623%0.232CC..THydrogen-bonded Turntrans-94.60.3178.971.10000113.9A468 F471 W472 Y491 I492 G496 K497 L498A468-T494 VanDerWaalsContact O-CG2 3.31Å; A468-T494 WeakPolarHBondContact O-CG2 3.2Å; F471-T494 HydrophobicContact CB-CG2 3.58Å; W472-T494 HydrophobicContact CB-CG2 4.18Å; Y491-T494 PolarHBondContact O-N 3.26Å; Y491-T494 PolarHBondContact O-OG1 3.33Å; I492-T494 PolarHBondContact O-N 3.21Å; T494-G496 PolarHBondContact O-N 2.85Å; T494-K497 PolarHBondContact O-N 2.94Å; T494-L498 PolarHBondContact O-N 3.08Å; T494-L498 VanDerWaalsContact O-N 3.09Å
495I86.8Confident89.1Confident9 Ų950.2 Ų50.25%0.04626%0.255CS..BIsolated β-bridgetrans-59.1128.7179.9-66.9171.4000110.7I492 Y519 A522 L523 R526 L528I492-I495 HydrophobicContact CB-CD1 4.25Å; I492-I495 HydrophobicContact CG1-CD1 4.32Å; I492-I495 HydrophobicContact CG2-CD1 4.05Å; I492-I495 WeakPolarHBondContact O-CB 3.22Å; I492-I495 WeakPolarHBondContact O-CD1 3.46Å; I492-I495 VanDerWaalsContact O-CG1 3.28Å; I492-I495 WeakPolarHBondContact O-CG1 3.24Å; I492-I495 PolarHBondContact O-N 3.34Å; I495-Y519 HydrophobicContact CD1-CD2 4.35Å; I495-Y519 HydrophobicContact CD1-CE2 4.05Å; I495-Y519 HydrophobicContact CG1-CD2 4.49Å; I495-Y519 HydrophobicContact CG1-CE2 3.73Å; I495-A522 HydrophobicContact CD1-CB 3.77Å; I495-L523 HydrophobicContact CG2-CD1 3.66Å; I495-R526 HydrophobicContact CG2-CB 4.42Å; I495-R526 PolarHBondContact O-NH1 3.13Å; I495-L528 HydrophobicContact CG2-CD1 3.73Å
496G82.8Confident88.9Confident50 Ų5050.4 Ų50.452%0.51525%0.249SC..THydrogen-bonded Turntrans101.7-17-179.100000113.9T494T494-G496 PolarHBondContact O-N 2.85Å
497K83Confident88.9Confident115 Ų11549.9 Ų49.950%0.525%0.245SC..THydrogen-bonded Turntrans-116.7-42.6178.4-55-59-174.1164.10112.1N465 A468 T494N465-K497 WeakPolarHBondContact OD1-CD 3.24Å; N465-K497 WeakPolarHBondContact OD1-CE 3.3Å; N465-K497 PolarHBondContact OD1-NZ 3.44Å; A468-K497 HydrophobicContact CB-CB 3.97Å; A468-K497 HydrophobicContact CB-CG 4.13Å; T494-K497 PolarHBondContact O-N 2.94Å
498L86.4Confident88.6Confident41 Ų4154.9 Ų54.922%0.21527%0.271CS..BIsolated β-bridgetrans-87.1135.7172.4-175.266.4000109.9W472 Y491 T494 A500 F502 V503W472-L498 HydrophobicContact CG-CD2 4.2Å; Y491-L498 HydrophobicContact CD1-CD2 4Å; Y491-L498 HydrophobicContact CE1-CD2 4.07Å; T494-L498 PolarHBondContact O-N 3.08Å; T494-L498 VanDerWaalsContact O-N 3.09Å; L498-A500 PolarHBondContact O-N 3.46Å; L498-F502 HydrophobicContact CD2-CD1 4.11Å; L498-V503 HydrophobicContact CD2-CG2 3.86Å
499E86.2Confident88Confident145 Ų14560.4 Ų60.468%0.67830%0.297SS*.  trans-61.3127.2175-64.7-173.317400111.1S501 F502E499-S501 WeakPolarHBondContact CB-OG 3.48Å; E499-S501 PolarHBondContact O-N 3.3Å; E499-S501 PolarHBondContact OE2-OG 3.18Å; E499-F502 PolarHBondContact O-N 3.1Å
500A88.4Confident87.3Confident15 Ų1556.2 Ų56.212%0.12430%0.299CS..Hα-helixtrans-60.8-29-178.100000113L498 F502 V503 I504 Y519 L523L498-A500 PolarHBondContact O-N 3.46Å; A500-F502 VanDerWaalsContact C-N 3.28Å; A500-F502 PolarHBondContact O-N 3.44Å; A500-V503 PolarHBondContact O-N 2.75Å; A500-I504 HydrophobicContact CB-CD1 4.27Å; A500-I504 WeakPolarHBondContact O-CB 3.3Å; A500-I504 VanDerWaalsContact O-CG1 3.23Å; A500-I504 WeakPolarHBondContact O-CG1 3.29Å; A500-I504 PolarHBondContact O-N 2.87Å; A500-Y519 WeakPolarHBondContact CA-OH 3.32Å; A500-Y519 HydrophobicContact CB-CE1 4.13Å; A500-L523 HydrophobicContact CB-CD1 4.47Å; A500-L523 HydrophobicContact CB-CD2 3.93Å
501S88.4Confident87Confident65 Ų6559.2 Ų59.246%0.45532%0.322SS..Hα-helixtrans-52.3-43.1175.255.60000112.6E499 V503 I504 Q505E499-S501 WeakPolarHBondContact CB-OG 3.48Å; E499-S501 PolarHBondContact O-N 3.3Å; E499-S501 PolarHBondContact OE2-OG 3.18Å; S501-V503 PolarHBondContact O-N 2.96Å; S501-I504 PolarHBondContact O-N 2.86Å; S501-Q505 WeakPolarHBondContact O-CB 3.41Å; S501-Q505 PolarHBondContact O-N 2.91Å
502F89Confident86.7Confident53 Ų5360 Ų6023%0.23233%0.325CS..Hα-helixtrans-62.7-44.5-179.3178.6-91000111.7W472 Y491 L498 E499 A500 R506W472-F502 HydrophobicContact CZ2-CZ 4.23Å; W472-F502 AromaticContact NE1-CD1 3.95Å; W472-F502 AromaticContact NE1-CE1 3.26Å; W472-F502 VanDerWaalsContact NE1-CE1 3.26Å; W472-F502 AromaticContact NE1-CZ 3.67Å; Y491-F502 HydrophobicContact CE1-CD1 4.35Å; Y491-F502 HydrophobicContact CE1-CE1 4.1Å; L498-F502 HydrophobicContact CD2-CD1 4.11Å; E499-F502 PolarHBondContact O-N 3.1Å; A500-F502 VanDerWaalsContact C-N 3.28Å; A500-F502 PolarHBondContact O-N 3.44Å; F502-R506 PolarHBondContact O-N 3.01Å
503V89.9Confident86.7Confident0 Ų059.5 Ų59.50%032%0.323CS..Hα-helixtrans-69.8-46.6179.5-1740000109.8I488 Y491 L498 A500 S501 Q505 R506 F507 Y519I488-V503 HydrophobicContact CD1-CG1 3.95Å; Y491-V503 HydrophobicContact CD1-CG1 4.32Å; Y491-V503 HydrophobicContact CD1-CG2 3.55Å; Y491-V503 HydrophobicContact CD2-CG1 4.27Å; Y491-V503 HydrophobicContact CE1-CG2 4Å; Y491-V503 HydrophobicContact CG-CG1 4Å; Y491-V503 HydrophobicContact CG-CG2 4.06Å; L498-V503 HydrophobicContact CD2-CG2 3.86Å; A500-V503 PolarHBondContact O-N 2.75Å; S501-V503 PolarHBondContact O-N 2.96Å; V503-Q505 VanDerWaalsContact C-N 3.3Å; V503-Q505 PolarHBondContact O-N 2.74Å; V503-R506 PolarHBondContact O-N 3.29Å; V503-R506 VanDerWaalsContact O-N 3.1Å; V503-F507 HydrophobicContact CG1-CD2 3.96Å; V503-F507 HydrophobicContact CG1-CE2 4.11Å; V503-F507 WeakPolarHBondContact O-CD2 3.42Å; V503-F507 PolarHBondContact O-N 3.05Å; V503-Y519 HydrophobicContact CB-CD1 4.38Å; V503-Y519 HydrophobicContact CB-CE1 3.87Å; V503-Y519 HydrophobicContact CB-CE2 4.06Å; V503-Y519 HydrophobicContact CG1-CD1 4.05Å; V503-Y519 HydrophobicContact CG1-CD2 3.83Å; V503-Y519 HydrophobicContact CG1-CE1 4.02Å; V503-Y519 HydrophobicContact CG1-CE2 3.8Å; V503-Y519 HydrophobicContact CG1-CG 3.97Å; V503-Y519 HydrophobicContact CG2-CE2 4.04Å
504I89.9Confident86.9Confident19 Ų1959.9 Ų59.910%0.09733%0.328CS..Hα-helixtrans-57.6-43.4179.3-67165.4000111A500 S501 R506 F507 L508 L516 Y519 L520 L536A500-I504 HydrophobicContact CB-CD1 4.27Å; A500-I504 WeakPolarHBondContact O-CB 3.3Å; A500-I504 VanDerWaalsContact O-CG1 3.23Å; A500-I504 WeakPolarHBondContact O-CG1 3.29Å; A500-I504 PolarHBondContact O-N 2.87Å; S501-I504 PolarHBondContact O-N 2.86Å; I504-R506 VanDerWaalsContact C-N 3.27Å; I504-R506 PolarHBondContact O-N 3.4Å; I504-F507 CarbonylContact O-C 3.25Å; I504-F507 PolarHBondContact O-N 3.23Å; I504-L508 WeakPolarHBondContact O-CB 3.49Å; I504-L508 PolarHBondContact O-N 3.42Å; I504-L516 HydrophobicContact CB-CD1 4.29Å; I504-L516 HydrophobicContact CG1-CD1 4.03Å; I504-L516 HydrophobicContact CG2-CD1 4.21Å; I504-Y519 HydrophobicContact CG1-CD1 4.44Å; I504-Y519 HydrophobicContact CG1-CE1 4.29Å; I504-L520 HydrophobicContact CD1-CD2 4.02Å; I504-L520 HydrophobicContact CG1-CD2 4.32Å; I504-L536 HydrophobicContact CD1-CD2 4.43Å; I504-L536 HydrophobicContact CG2-CD2 3.59Å
505Q89.1Confident87Confident152 Ų15260.9 Ų60.971%0.7133%0.333SS*.Hα-helixtrans-62-33.5179.5-170.9179.811.800112.8S501 V503S501-Q505 WeakPolarHBondContact O-CB 3.41Å; S501-Q505 PolarHBondContact O-N 2.91Å; V503-Q505 VanDerWaalsContact C-N 3.3Å; V503-Q505 PolarHBondContact O-N 2.74Å
506R87Confident87.2Confident85 Ų8560.8 Ų60.832%0.32133%0.333SS..Hα-helixtrans-73.6-37.7177.8-71.5-67.9178.8100.62.9112.5D476 Y479 F502 V503 I504D476-R506 IonicContact OD1-CZ 3.85Å; D476-R506 IonicContact OD1-NH1 3.19Å; D476-R506 PolarHBondContact OD1-NH1 3.4Å; Y479-R506 HydrophobicContact CE2-CB 4.06Å; Y479-R506 PolarHBondContact OH-O 3.26Å; F502-R506 PolarHBondContact O-N 3.01Å; V503-R506 PolarHBondContact O-N 3.29Å; V503-R506 VanDerWaalsContact O-N 3.1Å; I504-R506 VanDerWaalsContact C-N 3.27Å; I504-R506 PolarHBondContact O-N 3.4Å
507F89.8Confident87.6Confident0 Ų058.6 Ų58.60%031%0.309CS..THydrogen-bonded Turntrans-98.817.3-178.1-64.9-90.6000113.5Y479 Y484 I488 Y491 V503 I504 E509 H512 Q515 L516Y479-F507 AromaticContact CD2-CE1 4Å; Y479-F507 HydrophobicContact CD2-CE1 4Å; Y479-F507 AromaticContact CD2-CE2 3.98Å; Y479-F507 HydrophobicContact CD2-CE2 3.98Å; Y479-F507 AromaticContact CD2-CZ 3.54Å; Y479-F507 HydrophobicContact CD2-CZ 3.54Å; Y479-F507 HydrophobicContact CE2-CD1 4.28Å; Y479-F507 HydrophobicContact CE2-CD2 4.46Å; Y479-F507 AromaticContact CE2-CE1 3.89Å; Y479-F507 HydrophobicContact CE2-CE1 3.89Å; Y479-F507 HydrophobicContact CE2-CE2 4.07Å; Y479-F507 AromaticContact CE2-CZ 3.79Å; Y479-F507 HydrophobicContact CE2-CZ 3.79Å; Y484-F507 HydrophobicContact CD1-CE1 4.18Å; I488-F507 HydrophobicContact CB-CZ 4.34Å; I488-F507 HydrophobicContact CD1-CD2 3.85Å; I488-F507 HydrophobicContact CD1-CE1 4.3Å; I488-F507 HydrophobicContact CD1-CE2 3.62Å; I488-F507 HydrophobicContact CD1-CG 4.3Å; I488-F507 HydrophobicContact CD1-CZ 3.86Å; Y491-F507 AromaticContact CD2-CE2 3.78Å; Y491-F507 HydrophobicContact CD2-CE2 3.78Å; Y491-F507 HydrophobicContact CD2-CZ 4.19Å; Y491-F507 AromaticContact CE2-CE2 3.8Å; Y491-F507 HydrophobicContact CE2-CE2 3.8Å; Y491-F507 HydrophobicContact CE2-CZ 4.24Å; V503-F507 HydrophobicContact CG1-CD2 3.96Å; V503-F507 HydrophobicContact CG1-CE2 4.11Å; V503-F507 WeakPolarHBondContact O-CD2 3.42Å; V503-F507 PolarHBondContact O-N 3.05Å; I504-F507 CarbonylContact O-C 3.25Å; I504-F507 PolarHBondContact O-N 3.23Å; F507-E509 VanDerWaalsContact C-N 3.3Å; F507-E509 PolarHBondContact O-N 3.42Å; F507-H512 HydrophobicContact CB-CB 4.35Å; F507-H512 HydrophobicContact CD1-CB 4.03Å; F507-Q515 HydrophobicContact CD1-CB 3.83Å; F507-Q515 HydrophobicContact CE1-CB 4.05Å; F507-Q515 HydrophobicContact CE1-CG 4.5Å; F507-L516 HydrophobicContact CB-CB 4.14Å; F507-L516 HydrophobicContact CB-CD1 4.4Å
508L85.9Confident88.1Confident104 Ų10455.7 Ų55.755%0.54530%0.301SS..  trans-71.2-23.4-177.7-167.167.2000113.3I504 G510I504-L508 WeakPolarHBondContact O-CB 3.49Å; I504-L508 PolarHBondContact O-N 3.42Å; L508-G510 PolarHBondContact O-N 3.21Å
509E81.1Confident88.4Confident121 Ų12153.8 Ų53.857%0.56529%0.291SS*.SBendtrans-59135.7177.5-65.4-177.7-174.700110.9F507 S511 H512F507-E509 VanDerWaalsContact C-N 3.3Å; F507-E509 PolarHBondContact O-N 3.42Å; E509-S511 PolarHBondContact O-N 2.96Å; E509-H512 PolarHBondContact O-N 2.82Å
510G76Confident88.7Confident56 Ų5647 Ų4758%0.57726%0.26SS*.G310 helixtrans-59.2-22.9-172.700000114.9L508 H512L508-G510 PolarHBondContact O-N 3.21Å; G510-H512 PolarHBondContact O-N 3.45Å
511S84.4Confident88.8Confident85 Ų8548.3 Ų48.359%0.59426%0.263SS*.G310 helixtrans-66.5-21.9173.8450000113.8E509E509-S511 PolarHBondContact O-N 2.96Å
512H88.7Confident88.9Confident16 Ų1645.9 Ų45.97%0.07425%0.247CC..G310 helixtrans-10818.7-172.8-60.6-46.4000113.7Y484 F507 E509 G510 I514 Q515 L516Y484-H512 AromaticContact CD2-CE1 3.42Å; Y484-H512 VanDerWaalsContact CD2-CE1 3.42Å; Y484-H512 WeakPolarHBondContact CD2-CE1 3.25Å; Y484-H512 AromaticContact CD2-ND1 3.91Å; Y484-H512 AromaticContact CE2-CE1 3.3Å; Y484-H512 WeakPolarHBondContact CE2-CE1 3.05Å; Y484-H512 AromaticContact CE2-NE2 3.88Å; Y484-H512 AromaticContact CG-CE1 3.83Å; Y484-H512 AromaticContact CZ-CE1 3.64Å; Y484-H512 AromaticContact CZ-NE2 3.74Å; F507-H512 HydrophobicContact CB-CB 4.35Å; F507-H512 HydrophobicContact CD1-CB 4.03Å; E509-H512 PolarHBondContact O-N 2.82Å; G510-H512 PolarHBondContact O-N 3.45Å; H512-I514 PolarHBondContact O-N 3.43Å; H512-Q515 VanDerWaalsContact CA-OE1 3.25Å; H512-Q515 PolarHBondContact O-N 3.27Å; H512-Q515 VanDerWaalsContact O-N 3.16Å; H512-Q515 PolarHBondContact O-OE1 2.85Å; H512-L516 PolarHBondContact O-N 3.46Å
513I89.9Confident89Confident24 Ų2443.6 Ų43.612%0.12324%0.237CC..Hα-helixtrans-60.7-31.9-175.1-162.7167.3000113T517 C540 R543 L544I513-T517 VanDerWaalsContact O-CB 3.32Å; I513-T517 WeakPolarHBondContact O-CB 3.17Å; I513-T517 PolarHBondContact O-N 2.88Å; I513-T517 PolarHBondContact O-OG1 2.9Å; I513-C540 HydrophobicContact CD1-CB 4.42Å; I513-C540 HydrophobicContact CG1-CB 4.07Å; I513-R543 HydrophobicContact CD1-CB 3.36Å; I513-R543 HydrophobicContact CD1-CG 4.19Å; I513-L544 HydrophobicContact CD1-CG 4.41Å; I513-L544 HydrophobicContact CG1-CG 4.39Å; I513-L544 HydrophobicContact CG2-CD2 3.62Å; I513-L544 HydrophobicContact CG2-CG 4.1Å
514I91.8Very high88.8Confident101 Ų10146.9 Ų46.952%0.51825%0.251SS..Hα-helixtrans-67.7-45.2178.1-60.9172.7000110.3H512 T517 T518 L544H512-I514 PolarHBondContact O-N 3.43Å; I514-T517 WeakPolarHBondContact O-CB 3.27Å; I514-T517 PolarHBondContact O-N 3.47Å; I514-T518 PolarHBondContact O-N 3.39Å; I514-T518 PolarHBondContact O-OG1 3.01Å; I514-L544 HydrophobicContact CG1-CD2 3.98Å
515Q91.8Very high88.7Confident23 Ų2353.7 Ų53.711%0.10728%0.283CS..Hα-helixtrans-65.9-44.3177.7-65.177.814.400110.5D485 I488 F507 H512 T517 T518 Y519D485-Q515 PolarHBondContact OD1-NE2 2.94Å; I488-Q515 HydrophobicContact CB-CB 4.22Å; I488-Q515 HydrophobicContact CG1-CB 4.21Å; I488-Q515 WeakPolarHBondContact CG1-O 3.5Å; I488-Q515 HydrophobicContact CG2-CB 4.23Å; I488-Q515 HydrophobicContact CG2-CG 4.27Å; F507-Q515 HydrophobicContact CD1-CB 3.83Å; F507-Q515 HydrophobicContact CE1-CB 4.05Å; F507-Q515 HydrophobicContact CE1-CG 4.5Å; H512-Q515 VanDerWaalsContact CA-OE1 3.25Å; H512-Q515 PolarHBondContact O-N 3.27Å; H512-Q515 VanDerWaalsContact O-N 3.16Å; H512-Q515 PolarHBondContact O-OE1 2.85Å; Q515-T517 VanDerWaalsContact C-N 3.3Å; Q515-T517 PolarHBondContact O-N 3.46Å; Q515-T518 WeakPolarHBondContact O-CB 3.03Å; Q515-T518 PolarHBondContact O-N 3.39Å; Q515-Y519 PolarHBondContact O-N 3.18Å
516L92.7Very high88.5Confident7 Ų752.5 Ų52.54%0.03727%0.272CS..Hα-helixtrans-59-42.5175-178.360000111.8I504 F507 H512 T518 Y519 L520 L536I504-L516 HydrophobicContact CB-CD1 4.29Å; I504-L516 HydrophobicContact CG1-CD1 4.03Å; I504-L516 HydrophobicContact CG2-CD1 4.21Å; F507-L516 HydrophobicContact CB-CB 4.14Å; F507-L516 HydrophobicContact CB-CD1 4.4Å; H512-L516 PolarHBondContact O-N 3.46Å; L516-T518 PolarHBondContact O-N 2.76Å; L516-Y519 PolarHBondContact O-N 2.7Å; L516-L520 HydrophobicContact CD1-CD1 4.17Å; L516-L520 HydrophobicContact CD1-CG 4.26Å; L516-L520 HydrophobicContact CG-CD1 3.98Å; L516-L520 HydrophobicContact CG-CG 4.48Å; L516-L520 WeakPolarHBondContact O-CB 3.37Å; L516-L520 WeakPolarHBondContact O-CG 3.21Å; L516-L520 PolarHBondContact O-N 3.19Å; L516-L536 HydrophobicContact CD2-CD2 4.46Å
517T91.4Very high88.3Confident3 Ų354.6 Ų54.62%0.01829%0.289CS..Hα-helixtrans-59.7-47.1175.6-57.70000111I513 I514 Q515 Y519 L520 E521 L537 C540 Y541 L544I513-T517 VanDerWaalsContact O-CB 3.32Å; I513-T517 WeakPolarHBondContact O-CB 3.17Å; I513-T517 PolarHBondContact O-N 2.88Å; I513-T517 PolarHBondContact O-OG1 2.9Å; I514-T517 WeakPolarHBondContact O-CB 3.27Å; I514-T517 PolarHBondContact O-N 3.47Å; Q515-T517 VanDerWaalsContact C-N 3.3Å; Q515-T517 PolarHBondContact O-N 3.46Å; T517-Y519 VanDerWaalsContact C-N 3.29Å; T517-Y519 PolarHBondContact O-N 3.46Å; T517-L520 PolarHBondContact O-N 2.96Å; T517-E521 HydrophobicContact CG2-CG 4.36Å; T517-E521 WeakPolarHBondContact O-CB 3.16Å; T517-E521 VanDerWaalsContact O-CG 3.32Å; T517-E521 WeakPolarHBondContact O-CG 3.3Å; T517-E521 PolarHBondContact O-N 3.47Å; T517-L537 HydrophobicContact CG2-CD1 3.92Å; T517-C540 WeakPolarHBondContact OG1-CB 3.25Å; T517-Y541 HydrophobicContact CG2-CD1 3.96Å; T517-Y541 HydrophobicContact CG2-CE1 3.43Å; T517-Y541 VanDerWaalsContact CG2-CE1 3.43Å; T517-L544 HydrophobicContact CG2-CD1 4.38Å
518T92.4Very high88Confident55 Ų5558.9 Ų58.934%0.33731%0.312SS..Hα-helixtrans-58.7-41178.5-50.40000111.6I492 I514 Q515 L516 A522I492-T518 HydrophobicContact CD1-CG2 3.94Å; I514-T518 PolarHBondContact O-N 3.39Å; I514-T518 PolarHBondContact O-OG1 3.01Å; Q515-T518 WeakPolarHBondContact O-CB 3.03Å; Q515-T518 PolarHBondContact O-N 3.39Å; L516-T518 PolarHBondContact O-N 2.76Å; T518-A522 PolarHBondContact O-N 3.17Å; T518-A522 VanDerWaalsContact O-N 3.1Å
519Y93.3Very high87.8Confident1 Ų154.2 Ų54.20%0.00429%0.288CS..Hα-helixtrans-68.3-44.4177.6179.5-100.1000112.7I488 I492 I495 A500 V503 I504 Q515 L516 T517 E521 A522 L523I488-Y519 HydrophobicContact CD1-CD2 4.16Å; I488-Y519 HydrophobicContact CD1-CG 4.13Å; I492-Y519 HydrophobicContact CG1-CD2 4.07Å; I495-Y519 HydrophobicContact CD1-CD2 4.35Å; I495-Y519 HydrophobicContact CD1-CE2 4.05Å; I495-Y519 HydrophobicContact CG1-CD2 4.49Å; I495-Y519 HydrophobicContact CG1-CE2 3.73Å; A500-Y519 WeakPolarHBondContact CA-OH 3.32Å; A500-Y519 HydrophobicContact CB-CE1 4.13Å; V503-Y519 HydrophobicContact CB-CD1 4.38Å; V503-Y519 HydrophobicContact CB-CE1 3.87Å; V503-Y519 HydrophobicContact CB-CE2 4.06Å; V503-Y519 HydrophobicContact CG1-CD1 4.05Å; V503-Y519 HydrophobicContact CG1-CD2 3.83Å; V503-Y519 HydrophobicContact CG1-CE1 4.02Å; V503-Y519 HydrophobicContact CG1-CE2 3.8Å; V503-Y519 HydrophobicContact CG1-CG 3.97Å; V503-Y519 HydrophobicContact CG2-CE2 4.04Å; I504-Y519 HydrophobicContact CG1-CD1 4.44Å; I504-Y519 HydrophobicContact CG1-CE1 4.29Å; Q515-Y519 PolarHBondContact O-N 3.18Å; L516-Y519 PolarHBondContact O-N 2.7Å; T517-Y519 VanDerWaalsContact C-N 3.29Å; T517-Y519 PolarHBondContact O-N 3.46Å; Y519-E521 VanDerWaalsContact C-N 3.34Å; Y519-A522 PolarHBondContact O-N 3.49Å; Y519-L523 WeakPolarHBondContact O-CB 3.45Å; Y519-L523 PolarHBondContact O-N 2.98Å
520L92.1Very high88.1Confident3 Ų351.3 Ų51.32%0.01628%0.279CS..Hα-helixtrans-67.1-34.3178.3-70.8173.1000112.2I504 L516 T517 L523 K524 H533 L536 L537I504-L520 HydrophobicContact CD1-CD2 4.02Å; I504-L520 HydrophobicContact CG1-CD2 4.32Å; L516-L520 HydrophobicContact CD1-CD1 4.17Å; L516-L520 HydrophobicContact CD1-CG 4.26Å; L516-L520 HydrophobicContact CG-CD1 3.98Å; L516-L520 HydrophobicContact CG-CG 4.48Å; L516-L520 WeakPolarHBondContact O-CB 3.37Å; L516-L520 WeakPolarHBondContact O-CG 3.21Å; L516-L520 PolarHBondContact O-N 3.19Å; T517-L520 PolarHBondContact O-N 2.96Å; L520-L523 HydrophobicContact CD2-CD2 4.43Å; L520-L523 PolarHBondContact O-N 3.37Å; L520-K524 WeakPolarHBondContact O-CB 3.13Å; L520-K524 PolarHBondContact O-N 2.98Å; L520-H533 HydrophobicContact CD2-CB 4.1Å; L520-L536 HydrophobicContact CD1-CB 4.28Å; L520-L536 HydrophobicContact CD1-CD2 4.03Å; L520-L536 HydrophobicContact CD1-CG 3.88Å; L520-L537 HydrophobicContact CB-CB 4.15Å; L520-L537 HydrophobicContact CB-CD1 3.85Å; L520-L537 HydrophobicContact CB-CG 4.4Å; L520-L537 HydrophobicContact CD1-CB 4.13Å
521E91.1Very high88.6Confident42 Ų4250 Ų5020%0.19626%0.26CS..Hα-helixtrans-62.1-50170.9-76.2174.7167.300110.9T517 Y519 L523 K524 E525 L537 Y541 K549T517-E521 HydrophobicContact CG2-CG 4.36Å; T517-E521 WeakPolarHBondContact O-CB 3.16Å; T517-E521 VanDerWaalsContact O-CG 3.32Å; T517-E521 WeakPolarHBondContact O-CG 3.3Å; T517-E521 PolarHBondContact O-N 3.47Å; Y519-E521 VanDerWaalsContact C-N 3.34Å; E521-L523 VanDerWaalsContact C-N 3.25Å; E521-L523 PolarHBondContact O-N 3.06Å; E521-K524 WeakPolarHBondContact O-CB 3.38Å; E521-K524 PolarHBondContact O-N 3.34Å; E521-K524 VanDerWaalsContact O-N 3.13Å; E521-E525 WeakPolarHBondContact O-CG 3.44Å; E521-E525 PolarHBondContact O-N 2.81Å; E521-L537 HydrophobicContact CG-CD1 4.14Å; E521-Y541 VanDerWaalsContact CG-OH 3.32Å; E521-Y541 WeakPolarHBondContact CG-OH 3.35Å; E521-Y541 VanDerWaalsContact OE1-CE1 3.3Å; E521-Y541 WeakPolarHBondContact OE1-CE1 3.2Å; E521-Y541 PolarHBondContact OE1-OH 2.84Å; E521-K549 IonicContact OE1-NZ 3.3Å; E521-K549 PolarHBondContact OE1-NZ 2.98Å; E521-K549 IonicContact OE2-NZ 3.08Å
522A90.6Very high88.8Confident13 Ų1351.5 Ų51.511%0.10726%0.262CS..Hα-helixtrans-61.8-33.517600000112.7I492 I495 T518 Y519 R526I492-A522 HydrophobicContact CB-CB 4.49Å; I492-A522 HydrophobicContact CD1-CB 4.09Å; I492-A522 HydrophobicContact CG1-CB 3.92Å; I492-A522 HydrophobicContact CG2-CB 3.8Å; I495-A522 HydrophobicContact CD1-CB 3.77Å; T518-A522 PolarHBondContact O-N 3.17Å; T518-A522 VanDerWaalsContact O-N 3.1Å; Y519-A522 PolarHBondContact O-N 3.49Å; A522-R526 WeakPolarHBondContact O-CG 3.26Å; A522-R526 PolarHBondContact O-N 3.16Å
523L89.8Confident88.9Confident6 Ų652.5 Ų52.53%0.03127%0.266CS..Hα-helixtrans-68.9-39.4175.5-169.868.7000111.8I495 A500 Y519 L520 E521 N527 L528 H533I495-L523 HydrophobicContact CG2-CD1 3.66Å; A500-L523 HydrophobicContact CB-CD1 4.47Å; A500-L523 HydrophobicContact CB-CD2 3.93Å; Y519-L523 WeakPolarHBondContact O-CB 3.45Å; Y519-L523 PolarHBondContact O-N 2.98Å; L520-L523 HydrophobicContact CD2-CD2 4.43Å; L520-L523 PolarHBondContact O-N 3.37Å; E521-L523 VanDerWaalsContact C-N 3.25Å; E521-L523 PolarHBondContact O-N 3.06Å; L523-N527 PolarHBondContact O-N 3.17Å; L523-L528 HydrophobicContact CD1-CB 3.79Å; L523-L528 HydrophobicContact CG-CB 4.46Å; L523-L528 PolarHBondContact O-N 3.02Å; L523-L528 VanDerWaalsContact O-N 3.16Å; L523-H533 HydrophobicContact CD2-CB 4.22Å; L523-H533 WeakPolarHBondContact CD2-ND1 3.41Å
524K87.2Confident88.9Confident69 Ų6951.4 Ų51.430%0.326%0.261SS..Hα-helixtrans-65.5-46174.4178.5-176.2173-1750111.3L520 E521 R526 N527 L534 L537L520-K524 WeakPolarHBondContact O-CB 3.13Å; L520-K524 PolarHBondContact O-N 2.98Å; E521-K524 WeakPolarHBondContact O-CB 3.38Å; E521-K524 PolarHBondContact O-N 3.34Å; E521-K524 VanDerWaalsContact O-N 3.13Å; K524-R526 PolarHBondContact O-N 3.2Å; K524-N527 PolarHBondContact O-N 3.28Å; K524-L534 HydrophobicContact CB-CD2 4.39Å; K524-L534 HydrophobicContact CD-CD2 4.01Å; K524-L534 HydrophobicContact CG-CD2 4.03Å; K524-L537 HydrophobicContact CD-CD2 4.13Å
525E86.7Confident88.8Confident161 Ų16147.5 Ų47.575%0.75224%0.241SC*.Hα-helixtrans-60.6-31.9178.6-74.1178177.700112.8E521 N527E521-E525 WeakPolarHBondContact O-CG 3.44Å; E521-E525 PolarHBondContact O-N 2.81Å; E525-N527 VanDerWaalsContact C-N 3.29Å
526R84.9Confident88.8Confident127 Ų12748.5 Ų48.548%0.47925%0.246SC..THydrogen-bonded Turntrans-84.54.4174.8-68.2-174178.9-158.41.6114.2I495 A522 K524 L528I495-R526 HydrophobicContact CG2-CB 4.42Å; I495-R526 PolarHBondContact O-NH1 3.13Å; A522-R526 WeakPolarHBondContact O-CG 3.26Å; A522-R526 PolarHBondContact O-N 3.16Å; K524-R526 PolarHBondContact O-N 3.2Å; R526-L528 HydrophobicContact CB-CD1 4.3Å; R526-L528 PolarHBondContact O-N 2.92Å
527N82.3Confident88.7Confident129 Ų12948.2 Ų48.269%0.6925%0.245SC*.THydrogen-bonded Turntrans55.628-177.7-62.2-40.7000114.7L523 K524 E525L523-N527 PolarHBondContact O-N 3.17Å; K524-N527 PolarHBondContact O-N 3.28Å; E525-N527 VanDerWaalsContact C-N 3.29Å
528L83.1Confident88.7Confident91 Ų9148 Ų4848%0.47624%0.244SC..  trans-105.17.7177.7-69.7168000112.3I495 L523 R526I495-L528 HydrophobicContact CG2-CD1 3.73Å; L523-L528 HydrophobicContact CD1-CB 3.79Å; L523-L528 HydrophobicContact CG-CB 4.46Å; L523-L528 PolarHBondContact O-N 3.02Å; L523-L528 VanDerWaalsContact O-N 3.16Å; R526-L528 HydrophobicContact CB-CD1 4.3Å; R526-L528 PolarHBondContact O-N 2.92Å
529S83.4Confident88.6Confident5 Ų548.2 Ų48.24%0.03524%0.243CC..  trans-78128178570000111.3
530T87Confident88.4Confident61 Ų6148.4 Ų48.437%0.37424%0.244SC..  trans-79168.4167.162.70000110.3D532 H533 L534T530-D532 PolarHBondContact O-N 3.3Å; T530-H533 PolarHBondContact N-ND1 3.15Å; T530-H533 WeakPolarHBondContact O-CB 3.24Å; T530-H533 PolarHBondContact O-N 3.35Å; T530-H533 VanDerWaalsContact O-N 3.12Å; T530-H533 PolarHBondContact OG1-CE1 3.03Å; T530-H533 PolarHBondContact OG1-N 3.41Å; T530-H533 PolarHBondContact OG1-ND1 3.39Å; T530-H533 VanDerWaalsContact OG1-ND1 3.16Å; T530-L534 WeakPolarHBondContact O-CG 3.28Å; T530-L534 PolarHBondContact O-N 2.93Å; T530-L534 VanDerWaalsContact O-N 3.1Å
531S85.5Confident88.4Confident28 Ų2849 Ų4920%0.19625%0.246CC..Hα-helixtrans-49.8-46.9171.1-176.50000111.9H533 L534 I535 M561 D563S531-H533 VanDerWaalsContact C-N 3.31Å; S531-H533 PolarHBondContact O-N 3.13Å; S531-L534 WeakPolarHBondContact O-CB 3.35Å; S531-L534 PolarHBondContact O-N 3.39Å; S531-I535 WeakPolarHBondContact O-CG1 3.17Å; S531-I535 PolarHBondContact O-N 3.34Å; S531-M561 WeakPolarHBondContact CA-O 3.23Å; S531-M561 WeakPolarHBondContact CB-O 3.25Å; S531-M561 PolarHBondContact OG-O 2.9Å; S531-D563 VanDerWaalsContact OG-CB 3.22Å; S531-D563 WeakPolarHBondContact OG-CB 3.44Å; S531-D563 PolarHBondContact OG-N 3.24Å
532D88.5Confident88.3Confident117 Ų11747.5 Ų47.563%0.62624%0.24SC*.Hα-helixtrans-62.8-37.3-179-59.8-28.2000112.2T530 L534 I535 L536T530-D532 PolarHBondContact O-N 3.3Å; D532-L534 VanDerWaalsContact C-N 3.34Å; D532-I535 PolarHBondContact O-N 3.13Å; D532-L536 VanDerWaalsContact O-CB 3.3Å; D532-L536 WeakPolarHBondContact O-CB 2.93Å; D532-L536 PolarHBondContact O-N 2.94Å
533H90.9Very high88.2Confident37 Ų3756 Ų5617%0.17127%0.27CS..Hα-helixtrans-64.9-38.7174.5-60.6156.2000111.6L520 L523 T530 S531 L536 L537L520-H533 HydrophobicContact CD2-CB 4.1Å; L523-H533 HydrophobicContact CD2-CB 4.22Å; L523-H533 WeakPolarHBondContact CD2-ND1 3.41Å; T530-H533 PolarHBondContact N-ND1 3.15Å; T530-H533 WeakPolarHBondContact O-CB 3.24Å; T530-H533 PolarHBondContact O-N 3.35Å; T530-H533 VanDerWaalsContact O-N 3.12Å; T530-H533 PolarHBondContact OG1-CE1 3.03Å; T530-H533 PolarHBondContact OG1-N 3.41Å; T530-H533 PolarHBondContact OG1-ND1 3.39Å; T530-H533 VanDerWaalsContact OG1-ND1 3.16Å; S531-H533 VanDerWaalsContact C-N 3.31Å; S531-H533 PolarHBondContact O-N 3.13Å; H533-L536 PolarHBondContact O-N 2.96Å; H533-L537 WeakPolarHBondContact O-CB 3.14Å; H533-L537 PolarHBondContact O-N 3.15Å
534L90Very high88.1Confident1 Ų158.7 Ų58.71%0.00528%0.284CS..Hα-helixtrans-69.9-38.5177-63.6172.5000111.9K524 T530 S531 D532 L537 L538 F553 N559 M561 L562K524-L534 HydrophobicContact CB-CD2 4.39Å; K524-L534 HydrophobicContact CD-CD2 4.01Å; K524-L534 HydrophobicContact CG-CD2 4.03Å; T530-L534 WeakPolarHBondContact O-CG 3.28Å; T530-L534 PolarHBondContact O-N 2.93Å; T530-L534 VanDerWaalsContact O-N 3.1Å; S531-L534 WeakPolarHBondContact O-CB 3.35Å; S531-L534 PolarHBondContact O-N 3.39Å; D532-L534 VanDerWaalsContact C-N 3.34Å; L534-L537 WeakPolarHBondContact O-CB 3.47Å; L534-L537 PolarHBondContact O-N 3.19Å; L534-L538 WeakPolarHBondContact O-CB 3.32Å; L534-L538 PolarHBondContact O-N 2.86Å; L534-F553 HydrophobicContact CB-CZ 4.19Å; L534-N559 HydrophobicContact CD1-CB 4.13Å; L534-N559 WeakPolarHBondContact CD1-ND2 3.48Å; L534-M561 HydrophobicContact CD1-CB 4.43Å; L534-L562 HydrophobicContact CB-CD1 3.78Å; L534-L562 HydrophobicContact CD1-CB 4.26Å; L534-L562 HydrophobicContact CD1-CD1 4.46Å
535I91.1Very high88.2Confident18 Ų1862.2 Ų62.29%0.09230%0.302CS..Hα-helixtrans-66.6-41.4174.2-64.5159000110.3S531 D532 L537 L538 N539 L562 D563 S566 V570S531-I535 WeakPolarHBondContact O-CG1 3.17Å; S531-I535 PolarHBondContact O-N 3.34Å; D532-I535 PolarHBondContact O-N 3.13Å; I535-L537 VanDerWaalsContact C-N 3.34Å; I535-L538 PolarHBondContact O-N 3.4Å; I535-N539 WeakPolarHBondContact O-CB 3.08Å; I535-N539 PolarHBondContact O-N 3.23Å; I535-N539 PolarHBondContact O-ND2 2.99Å; I535-L562 HydrophobicContact CG1-CD1 4.22Å; I535-D563 HydrophobicContact CD1-CB 4.26Å; I535-S566 VanDerWaalsContact CD1-CB 3.47Å; I535-V570 HydrophobicContact CG2-CG2 4Å
536L90.6Very high88.3Confident44 Ų4456.9 Ų56.923%0.2328%0.278CS..Hα-helixtrans-62.9-42.3174.5-17761.1000111I504 L516 L520 D532 H533 L538 N539 C540I504-L536 HydrophobicContact CD1-CD2 4.43Å; I504-L536 HydrophobicContact CG2-CD2 3.59Å; L516-L536 HydrophobicContact CD2-CD2 4.46Å; L520-L536 HydrophobicContact CD1-CB 4.28Å; L520-L536 HydrophobicContact CD1-CD2 4.03Å; L520-L536 HydrophobicContact CD1-CG 3.88Å; D532-L536 VanDerWaalsContact O-CB 3.3Å; D532-L536 WeakPolarHBondContact O-CB 2.93Å; D532-L536 PolarHBondContact O-N 2.94Å; H533-L536 PolarHBondContact O-N 2.96Å; L536-L538 VanDerWaalsContact C-N 3.33Å; L536-L538 PolarHBondContact O-N 3.08Å; L536-N539 WeakPolarHBondContact O-CB 3.42Å; L536-N539 PolarHBondContact O-N 3.42Å; L536-C540 PolarHBondContact O-N 3.27Å; L536-C540 PolarHBondContact O-SG 3.2Å
537L91.4Very high88.4Confident1 Ų154.4 Ų54.41%0.00528%0.277CS..Hα-helixtrans-60.5-43.4174.5178.959000111.4T517 L520 E521 K524 H533 L534 I535 C540 Y541 F553T517-L537 HydrophobicContact CG2-CD1 3.92Å; L520-L537 HydrophobicContact CB-CB 4.15Å; L520-L537 HydrophobicContact CB-CD1 3.85Å; L520-L537 HydrophobicContact CB-CG 4.4Å; L520-L537 HydrophobicContact CD1-CB 4.13Å; E521-L537 HydrophobicContact CG-CD1 4.14Å; K524-L537 HydrophobicContact CD-CD2 4.13Å; H533-L537 WeakPolarHBondContact O-CB 3.14Å; H533-L537 PolarHBondContact O-N 3.15Å; L534-L537 WeakPolarHBondContact O-CB 3.47Å; L534-L537 PolarHBondContact O-N 3.19Å; I535-L537 VanDerWaalsContact C-N 3.34Å; L537-C540 WeakPolarHBondContact O-CB 3.38Å; L537-C540 PolarHBondContact O-N 3.45Å; L537-C540 VanDerWaalsContact O-N 3.16Å; L537-Y541 HydrophobicContact CD1-CD1 4.38Å; L537-Y541 HydrophobicContact CD1-CE1 3.75Å; L537-Y541 HydrophobicContact CD1-CE2 3.97Å; L537-Y541 HydrophobicContact CD2-CE2 4.13Å; L537-Y541 HydrophobicContact CG-CD2 4.29Å; L537-Y541 HydrophobicContact CG-CE1 4.4Å; L537-Y541 HydrophobicContact CG-CE2 3.7Å; L537-Y541 PolarHBondContact O-N 3.06Å; L537-F553 HydrophobicContact CD2-CE2 4.4Å
538L90.1Very high88.6Confident0 Ų053.6 Ų53.60%027%0.273CS..Hα-helixtrans-62.6-44.2175.4-176.760.1000111.8L534 I535 L536 C540 Y541 C542 F553 A567 V570 L571L534-L538 WeakPolarHBondContact O-CB 3.32Å; L534-L538 PolarHBondContact O-N 2.86Å; I535-L538 PolarHBondContact O-N 3.4Å; L536-L538 VanDerWaalsContact C-N 3.33Å; L536-L538 PolarHBondContact O-N 3.08Å; L538-C540 VanDerWaalsContact C-N 3.26Å; L538-C540 PolarHBondContact O-N 3.48Å; L538-Y541 PolarHBondContact O-N 3.01Å; L538-C542 PolarHBondContact O-N 3.07Å; L538-C542 PolarHBondContact O-SG 2.96Å; L538-F553 HydrophobicContact CB-CE1 4.19Å; L538-F553 HydrophobicContact CB-CZ 4.21Å; L538-F553 HydrophobicContact CD1-CD1 3.84Å; L538-F553 HydrophobicContact CD1-CE1 4.12Å; L538-F553 HydrophobicContact CD1-CG 4.29Å; L538-F553 HydrophobicContact CD2-CD1 4.44Å; L538-F553 HydrophobicContact CD2-CE1 4.02Å; L538-F553 HydrophobicContact CG-CE1 4.35Å; L538-A567 HydrophobicContact CD2-CB 3.88Å; L538-V570 HydrophobicContact CD2-CG1 4.24Å; L538-V570 HydrophobicContact CG-CG1 4.13Å; L538-L571 HydrophobicContact CD1-CD2 4.09Å; L538-L571 HydrophobicContact CD2-CD1 4.42Å; L538-L571 HydrophobicContact CD2-CD2 4.42Å; L538-L571 HydrophobicContact CD2-CG 4.1Å
539N90Very high88.9Confident59 Ų5952.2 Ų52.232%0.31626%0.263SS..Hα-helixtrans-58.4-39.5172.8-84.8-42.9000112I535 L536 C542 R543 V570I535-N539 WeakPolarHBondContact O-CB 3.08Å; I535-N539 PolarHBondContact O-N 3.23Å; I535-N539 PolarHBondContact O-ND2 2.99Å; L536-N539 WeakPolarHBondContact O-CB 3.42Å; L536-N539 PolarHBondContact O-N 3.42Å; N539-C542 PolarHBondContact O-N 2.75Å; N539-R543 WeakPolarHBondContact O-CB 3.46Å; N539-R543 WeakPolarHBondContact O-CG 3.44Å; N539-R543 PolarHBondContact O-N 2.79Å; N539-V570 WeakPolarHBondContact OD1-CG1 3.48Å; N539-V570 WeakPolarHBondContact OD1-CG2 3.25Å
540C89.7Confident89.1Confident5 Ų552 Ų523%0.03426%0.261CS..Hα-helixtrans-62.5-47.3174.4-71.20000111.5I513 T517 L536 L537 L538 C542 R543 L544I513-C540 HydrophobicContact CD1-CB 4.42Å; I513-C540 HydrophobicContact CG1-CB 4.07Å; T517-C540 WeakPolarHBondContact OG1-CB 3.25Å; L536-C540 PolarHBondContact O-N 3.27Å; L536-C540 PolarHBondContact O-SG 3.2Å; L537-C540 WeakPolarHBondContact O-CB 3.38Å; L537-C540 PolarHBondContact O-N 3.45Å; L537-C540 VanDerWaalsContact O-N 3.16Å; L538-C540 VanDerWaalsContact C-N 3.26Å; L538-C540 PolarHBondContact O-N 3.48Å; C540-C542 PolarHBondContact O-N 2.86Å; C540-R543 PolarHBondContact O-N 2.97Å; C540-L544 WeakPolarHBondContact O-CB 3.38Å; C540-L544 WeakPolarHBondContact O-CG 3.33Å; C540-L544 PolarHBondContact O-N 2.95Å
541Y92.2Very high89.1Confident14 Ų1452 Ų526%0.05526%0.257CS..Hα-helixtrans-61-43.5175.8-64.8-30.8000112.8T517 E521 L537 L538 R543 L544 Q545 D546 K549 F553T517-Y541 HydrophobicContact CG2-CD1 3.96Å; T517-Y541 HydrophobicContact CG2-CE1 3.43Å; T517-Y541 VanDerWaalsContact CG2-CE1 3.43Å; E521-Y541 VanDerWaalsContact CG-OH 3.32Å; E521-Y541 WeakPolarHBondContact CG-OH 3.35Å; E521-Y541 VanDerWaalsContact OE1-CE1 3.3Å; E521-Y541 WeakPolarHBondContact OE1-CE1 3.2Å; E521-Y541 PolarHBondContact OE1-OH 2.84Å; L537-Y541 HydrophobicContact CD1-CD1 4.38Å; L537-Y541 HydrophobicContact CD1-CE1 3.75Å; L537-Y541 HydrophobicContact CD1-CE2 3.97Å; L537-Y541 HydrophobicContact CD2-CE2 4.13Å; L537-Y541 HydrophobicContact CG-CD2 4.29Å; L537-Y541 HydrophobicContact CG-CE1 4.4Å; L537-Y541 HydrophobicContact CG-CE2 3.7Å; L537-Y541 PolarHBondContact O-N 3.06Å; L538-Y541 PolarHBondContact O-N 3.01Å; Y541-R543 VanDerWaalsContact C-N 3.32Å; Y541-R543 PolarHBondContact O-N 3.23Å; Y541-L544 CarbonylContact O-C 3.53Å; Y541-L544 PolarHBondContact O-N 2.57Å; Y541-Q545 PolarHBondContact O-N 3.47Å; Y541-D546 PolarHBondContact O-N 3.25Å; Y541-K549 HydrophobicContact CD1-CB 4.02Å; Y541-K549 HydrophobicContact CD1-CD 3.84Å; Y541-K549 HydrophobicContact CD2-CB 4.17Å; Y541-K549 HydrophobicContact CE1-CB 4.01Å; Y541-K549 HydrophobicContact CE1-CD 3.29Å; Y541-K549 HydrophobicContact CE1-CG 4.28Å; Y541-K549 HydrophobicContact CE2-CB 4.14Å; Y541-K549 HydrophobicContact CG-CB 4.11Å; Y541-F553 HydrophobicContact CD2-CD2 4.45Å; Y541-F553 HydrophobicContact CE2-CD2 4.05Å
542C89.6Confident89.1Confident11 Ų1157 Ų577%0.07428%0.277CS..Hα-helixtrans-60.6-41.1176.5-690000112.1L538 N539 C540 Q545 S574 Y576L538-C542 PolarHBondContact O-N 3.07Å; L538-C542 PolarHBondContact O-SG 2.96Å; N539-C542 PolarHBondContact O-N 2.75Å; C540-C542 PolarHBondContact O-N 2.86Å; C542-Q545 PolarHBondContact O-N 3.08Å; C542-S574 PolarHBondContact SG-OG 2.71Å; C542-S574 VanDerWaalsContact SG-OG 3.34Å; C542-Y576 HydrophobicContact CB-CD2 4.44Å; C542-Y576 HydrophobicContact CB-CE2 4.23Å
543R88.4Confident89Confident192 Ų19252.2 Ų52.273%0.72525%0.251SS*.Hα-helixtrans-70-36.2176.3-82-177.5155.7166.2-3.9113.1I513 N539 C540 Y541 Q545I513-R543 HydrophobicContact CD1-CB 3.36Å; I513-R543 HydrophobicContact CD1-CG 4.19Å; N539-R543 WeakPolarHBondContact O-CB 3.46Å; N539-R543 WeakPolarHBondContact O-CG 3.44Å; N539-R543 PolarHBondContact O-N 2.79Å; C540-R543 PolarHBondContact O-N 2.97Å; Y541-R543 VanDerWaalsContact C-N 3.32Å; Y541-R543 PolarHBondContact O-N 3.23Å; R543-Q545 PolarHBondContact O-N 3.22Å
544L88.4Confident88.7Confident63 Ų6350.5 Ų50.533%0.3324%0.243SC..Hα-helixtrans-73.5-11.7173.2-76.2173.9000113.1I513 I514 T517 C540 Y541 D546I513-L544 HydrophobicContact CD1-CG 4.41Å; I513-L544 HydrophobicContact CG1-CG 4.39Å; I513-L544 HydrophobicContact CG2-CD2 3.62Å; I513-L544 HydrophobicContact CG2-CG 4.1Å; I514-L544 HydrophobicContact CG1-CD2 3.98Å; T517-L544 HydrophobicContact CG2-CD1 4.38Å; C540-L544 WeakPolarHBondContact O-CB 3.38Å; C540-L544 WeakPolarHBondContact O-CG 3.33Å; C540-L544 PolarHBondContact O-N 2.95Å; Y541-L544 CarbonylContact O-C 3.53Å; Y541-L544 PolarHBondContact O-N 2.57Å; L544-D546 HydrophobicContact CB-CB 4.48Å; L544-D546 PolarHBondContact O-N 3.33Å
545Q87.4Confident88.4Confident143 Ų14355.7 Ų55.767%0.66827%0.266SS*.THydrogen-bonded Turntrans55.732.5-175-53.8-178.41000113Y541 C542 R543 V547 Y576Y541-Q545 PolarHBondContact O-N 3.47Å; C542-Q545 PolarHBondContact O-N 3.08Å; R543-Q545 PolarHBondContact O-N 3.22Å; Q545-V547 PolarHBondContact O-N 3.27Å; Q545-V547 VanDerWaalsContact O-N 3.08Å; Q545-Y576 WeakPolarHBondContact CA-OH 3.41Å
546D89Confident87.2Confident48 Ų4858.1 Ų58.126%0.25729%0.288SS..  trans-82.885.7179.5-168.2-27.2000109.9Y541 L544 D548 K549 I550Y541-D546 PolarHBondContact O-N 3.25Å; L544-D546 HydrophobicContact CB-CB 4.48Å; L544-D546 PolarHBondContact O-N 3.33Å; D546-D548 VanDerWaalsContact C-N 3.27Å; D546-D548 PolarHBondContact O-N 3.17Å; D546-D548 PolarHBondContact OD1-N 3.45Å; D546-K549 HydrophobicContact CB-CB 4.19Å; D546-K549 HydrophobicContact CB-CG 4.49Å; D546-K549 VanDerWaalsContact CG-CG 3.49Å; D546-K549 PolarHBondContact O-N 3.28Å; D546-K549 PolarHBondContact OD1-N 3.44Å; D546-K549 WeakPolarHBondContact OD2-CD 3.43Å; D546-K549 VanDerWaalsContact OD2-CE 3.28Å; D546-K549 WeakPolarHBondContact OD2-CE 3.35Å; D546-K549 VanDerWaalsContact OD2-CG 3.27Å; D546-K549 WeakPolarHBondContact OD2-CG 3.04Å; D546-I550 VanDerWaalsContact O-CG1 3.23Å; D546-I550 WeakPolarHBondContact O-CG1 3.02Å; D546-I550 PolarHBondContact O-N 3.06Å
547V87.1Confident86.6Confident75 Ų7562.4 Ų62.446%0.45532%0.319SS..Hα-helixtrans-59.9-39.3-176.3-177.40000111.3Q545 I550 E551 Y576Q545-V547 PolarHBondContact O-N 3.27Å; Q545-V547 VanDerWaalsContact O-N 3.08Å; V547-I550 PolarHBondContact O-N 2.97Å; V547-E551 HydrophobicContact CG1-CG 4.32Å; V547-E551 WeakPolarHBondContact O-CB 3.33Å; V547-E551 WeakPolarHBondContact O-CG 3.11Å; V547-E551 PolarHBondContact O-N 3.43Å; V547-Y576 HydrophobicContact CG2-CE1 4.3Å
548D87.8Confident85.7Confident112 Ų11264 Ų6460%0.59933%0.327SS*.Hα-helixtrans-64.4-44.2-178.8-69.3-33.6000111.3D546 E551 Q552D546-D548 VanDerWaalsContact C-N 3.27Å; D546-D548 PolarHBondContact O-N 3.17Å; D546-D548 PolarHBondContact OD1-N 3.45Å; D548-E551 PolarHBondContact O-N 3.29Å; D548-Q552 WeakPolarHBondContact O-CB 3.36Å; D548-Q552 VanDerWaalsContact O-CG 3.25Å; D548-Q552 WeakPolarHBondContact O-CG 3.39Å; D548-Q552 PolarHBondContact O-N 3Å
549K87.9Confident85Confident62 Ų6266.4 Ų66.427%0.2734%0.34SS..Hα-helixtrans-68.7-37.8175.9-71.2-168.9-171-1710112.7E521 Y541 D546 E551 Q552 F553E521-K549 IonicContact OE1-NZ 3.3Å; E521-K549 PolarHBondContact OE1-NZ 2.98Å; E521-K549 IonicContact OE2-NZ 3.08Å; Y541-K549 HydrophobicContact CD1-CB 4.02Å; Y541-K549 HydrophobicContact CD1-CD 3.84Å; Y541-K549 HydrophobicContact CD2-CB 4.17Å; Y541-K549 HydrophobicContact CE1-CB 4.01Å; Y541-K549 HydrophobicContact CE1-CD 3.29Å; Y541-K549 HydrophobicContact CE1-CG 4.28Å; Y541-K549 HydrophobicContact CE2-CB 4.14Å; Y541-K549 HydrophobicContact CG-CB 4.11Å; D546-K549 HydrophobicContact CB-CB 4.19Å; D546-K549 HydrophobicContact CB-CG 4.49Å; D546-K549 VanDerWaalsContact CG-CG 3.49Å; D546-K549 PolarHBondContact O-N 3.28Å; D546-K549 PolarHBondContact OD1-N 3.44Å; D546-K549 WeakPolarHBondContact OD2-CD 3.43Å; D546-K549 VanDerWaalsContact OD2-CE 3.28Å; D546-K549 WeakPolarHBondContact OD2-CE 3.35Å; D546-K549 VanDerWaalsContact OD2-CG 3.27Å; D546-K549 WeakPolarHBondContact OD2-CG 3.04Å; K549-E551 VanDerWaalsContact C-N 3.34Å; K549-Q552 PolarHBondContact O-N 3.07Å; K549-F553 VanDerWaalsContact O-CB 3.25Å; K549-F553 WeakPolarHBondContact O-CB 3.4Å; K549-F553 PolarHBondContact O-N 2.98Å
550I88.2Confident84.4Confident2 Ų269.5 Ų69.51%0.0137%0.366CS..Hα-helixtrans-61.7-45.7173.8-64.8164.4000109.9D546 V547 Q552 F553 V554 L571 Y576 A579D546-I550 VanDerWaalsContact O-CG1 3.23Å; D546-I550 WeakPolarHBondContact O-CG1 3.02Å; D546-I550 PolarHBondContact O-N 3.06Å; V547-I550 PolarHBondContact O-N 2.97Å; I550-Q552 PolarHBondContact O-N 3.47Å; I550-F553 WeakPolarHBondContact O-CB 3.35Å; I550-F553 PolarHBondContact O-N 3.47Å; I550-V554 WeakPolarHBondContact O-CG2 3.31Å; I550-V554 PolarHBondContact O-N 3.16Å; I550-V554 VanDerWaalsContact O-N 3.09Å; I550-L571 HydrophobicContact CG2-CD2 3.93Å; I550-Y576 HydrophobicContact CD1-CD1 4.43Å; I550-Y576 HydrophobicContact CD1-CD2 4.08Å; I550-Y576 HydrophobicContact CD1-CE1 4.26Å; I550-Y576 HydrophobicContact CD1-CE2 3.9Å; I550-Y576 HydrophobicContact CD1-CG 4.35Å; I550-A579 HydrophobicContact CG2-CB 3.82Å
551E87.4Confident83.9Confident59 Ų5974.7 Ų74.728%0.27639%0.391SS..Hα-helixtrans-62.8-42.5177.1-76.1-146.1148.100112.4V547 D548 K549 F553 V554 K555 K582V547-E551 HydrophobicContact CG1-CG 4.32Å; V547-E551 WeakPolarHBondContact O-CB 3.33Å; V547-E551 WeakPolarHBondContact O-CG 3.11Å; V547-E551 PolarHBondContact O-N 3.43Å; D548-E551 PolarHBondContact O-N 3.29Å; K549-E551 VanDerWaalsContact C-N 3.34Å; E551-F553 VanDerWaalsContact C-N 3.32Å; E551-V554 PolarHBondContact O-N 3.09Å; E551-K555 WeakPolarHBondContact O-CG 3.22Å; E551-K555 PolarHBondContact O-N 2.8Å; E551-K555 IonicContact OE2-NZ 3.86Å; E551-K555 PolarHBondContact OE2-NZ 2.91Å; E551-K582 IonicContact OE1-NZ 3.61Å; E551-K582 PolarHBondContact OE1-NZ 3.25Å
552Q85.9Confident83.4Confident134 Ų13474.6 Ų74.663%0.62639%0.392SS*.Hα-helixtrans-65.4-36.4175.9-73.4175.321.300112D548 K549 I550 V554 K555D548-Q552 WeakPolarHBondContact O-CB 3.36Å; D548-Q552 VanDerWaalsContact O-CG 3.25Å; D548-Q552 WeakPolarHBondContact O-CG 3.39Å; D548-Q552 PolarHBondContact O-N 3Å; K549-Q552 PolarHBondContact O-N 3.07Å; I550-Q552 PolarHBondContact O-N 3.47Å; Q552-V554 VanDerWaalsContact C-N 3.26Å; Q552-V554 PolarHBondContact O-N 3.23Å; Q552-K555 PolarHBondContact O-N 2.83Å
553F85.6Confident83.3Confident16 Ų1676.8 Ų76.87%0.0740%0.403CS..Hα-helixtrans-65.1-32.7177.2-170.3-86.7000112.3L534 L537 L538 Y541 K549 I550 E551 L562L534-F553 HydrophobicContact CB-CZ 4.19Å; L537-F553 HydrophobicContact CD2-CE2 4.4Å; L538-F553 HydrophobicContact CB-CE1 4.19Å; L538-F553 HydrophobicContact CB-CZ 4.21Å; L538-F553 HydrophobicContact CD1-CD1 3.84Å; L538-F553 HydrophobicContact CD1-CE1 4.12Å; L538-F553 HydrophobicContact CD1-CG 4.29Å; L538-F553 HydrophobicContact CD2-CD1 4.44Å; L538-F553 HydrophobicContact CD2-CE1 4.02Å; L538-F553 HydrophobicContact CG-CE1 4.35Å; Y541-F553 HydrophobicContact CD2-CD2 4.45Å; Y541-F553 HydrophobicContact CE2-CD2 4.05Å; K549-F553 VanDerWaalsContact O-CB 3.25Å; K549-F553 WeakPolarHBondContact O-CB 3.4Å; K549-F553 PolarHBondContact O-N 2.98Å; I550-F553 WeakPolarHBondContact O-CB 3.35Å; I550-F553 PolarHBondContact O-N 3.47Å; E551-F553 VanDerWaalsContact C-N 3.32Å; F553-L562 HydrophobicContact CE1-CD1 4.19Å; F553-L562 HydrophobicContact CE1-CD2 3.73Å; F553-L562 HydrophobicContact CZ-CD1 4Å; F553-L562 HydrophobicContact CZ-CD2 4.21Å
554V84.9Confident83.1Confident2 Ų269.2 Ų69.21%0.01238%0.376CS..Hα-helixtrans-88.3-21.5-178.2168.40000113.2I550 E551 Q552 L571 A579 K582 L583 N586I550-V554 WeakPolarHBondContact O-CG2 3.31Å; I550-V554 PolarHBondContact O-N 3.16Å; I550-V554 VanDerWaalsContact O-N 3.09Å; E551-V554 PolarHBondContact O-N 3.09Å; Q552-V554 VanDerWaalsContact C-N 3.26Å; Q552-V554 PolarHBondContact O-N 3.23Å; V554-L571 HydrophobicContact CG2-CD1 4.18Å; V554-A579 VanDerWaalsContact CG1-O 3.31Å; V554-A579 WeakPolarHBondContact CG1-O 3.34Å; V554-A579 HydrophobicContact CG2-CB 4.3Å; V554-K582 HydrophobicContact CG1-CB 3.51Å; V554-L583 HydrophobicContact CB-CD1 4.49Å; V554-L583 HydrophobicContact CG1-CB 3.75Å; V554-L583 HydrophobicContact CG1-CD1 4.37Å; V554-L583 HydrophobicContact CG2-CB 4.16Å; V554-L583 HydrophobicContact CG2-CD1 4.26Å; V554-N586 PolarHBondContact O-ND2 3.48Å
555K82.9Confident83Confident109 Ų10969.8 Ų69.847%0.47438%0.383SS..SBendtrans-67.6143.2177.6-81165.4-170.81650111.2E551 Q552E551-K555 WeakPolarHBondContact O-CG 3.22Å; E551-K555 PolarHBondContact O-N 2.8Å; E551-K555 IonicContact OE2-NZ 3.86Å; E551-K555 PolarHBondContact OE2-NZ 2.91Å; Q552-K555 PolarHBondContact O-N 2.83Å
556A66.7Low83Confident69 Ų6965.2 Ų65.257%0.5737%0.366SS*.SBendtrans-70.1147.4175.300000111.7
557P77.2Confident82.9Confident134 Ų13463 Ų6387%0.8735%0.354SS*.SBendcis-77.7131.72.130.7-33.5000112.8
558I74.2Confident82.9Confident36 Ų3660.1 Ų60.119%0.18534%0.337CS..PPolyproline II helixtrans-80.3140.4179-64.4170.4000109S560 L562 L583 N586 T587I558-S560 PolarHBondContact O-N 2.97Å; I558-L562 HydrophobicContact CG2-CD2 4.12Å; I558-L583 HydrophobicContact CD1-CD1 3.7Å; I558-L583 HydrophobicContact CG1-CD1 4.39Å; I558-L583 HydrophobicContact CG2-CD1 4.42Å; I558-N586 HydrophobicContact CD1-CB 3.41Å; I558-N586 VanDerWaalsContact CD1-CB 3.41Å; I558-N586 HydrophobicContact CG1-CB 4.42Å; I558-T587 HydrophobicContact CD1-CG2 3.38Å; I558-T587 HydrophobicContact CG2-CG2 4.32Å
559N75.3Confident82.8Confident50 Ų5060.5 Ų60.527%0.26733%0.334SS..PPolyproline II helixtrans-61.5120.3178.4-171.3-30.6000110L534 M561 L562L534-N559 HydrophobicContact CD1-CB 4.13Å; L534-N559 WeakPolarHBondContact CD1-ND2 3.48Å; N559-M561 PolarHBondContact O-N 3.01Å; N559-M561 VanDerWaalsContact O-N 3.11Å; N559-M561 PolarHBondContact OD1-N 3.45Å; N559-L562 VanDerWaalsContact O-CB 3.32Å; N559-L562 WeakPolarHBondContact O-CB 3.31Å; N559-L562 PolarHBondContact O-N 3.44Å
560S76Confident82.9Confident123 Ų12358 Ų5886%0.8633%0.325SS*.THydrogen-bonded Turntrans-62-18.5-176.858.70000114.1I558I558-S560 PolarHBondContact O-N 2.97Å
561M79.2Confident82.8Confident114 Ų11458 Ų5856%0.56232%0.324SS*.THydrogen-bonded Turntrans-83.5-10.4176-69.5-160.3-178.900114.2S531 L534 N559 D563S531-M561 WeakPolarHBondContact CA-O 3.23Å; S531-M561 WeakPolarHBondContact CB-O 3.25Å; S531-M561 PolarHBondContact OG-O 2.9Å; L534-M561 HydrophobicContact CD1-CB 4.43Å; N559-M561 PolarHBondContact O-N 3.01Å; N559-M561 VanDerWaalsContact O-N 3.11Å; N559-M561 PolarHBondContact OD1-N 3.45Å; M561-D563 PolarHBondContact O-N 3.06Å
562L83.4Confident82.7Confident12 Ų1259 Ų596%0.06333%0.328CS..  trans-71.1124.6-176.7-178.867.4000110.9L534 I535 F553 I558 N559 I564 A567 L583L534-L562 HydrophobicContact CB-CD1 3.78Å; L534-L562 HydrophobicContact CD1-CB 4.26Å; L534-L562 HydrophobicContact CD1-CD1 4.46Å; I535-L562 HydrophobicContact CG1-CD1 4.22Å; F553-L562 HydrophobicContact CE1-CD1 4.19Å; F553-L562 HydrophobicContact CE1-CD2 3.73Å; F553-L562 HydrophobicContact CZ-CD1 4Å; F553-L562 HydrophobicContact CZ-CD2 4.21Å; I558-L562 HydrophobicContact CG2-CD2 4.12Å; N559-L562 VanDerWaalsContact O-CB 3.32Å; N559-L562 WeakPolarHBondContact O-CB 3.31Å; N559-L562 PolarHBondContact O-N 3.44Å; L562-I564 PolarHBondContact O-N 2.92Å; L562-A567 HydrophobicContact CD1-CB 4.15Å; L562-A567 HydrophobicContact CD2-CB 4.09Å; L562-A567 HydrophobicContact CG-CB 4.2Å; L562-L583 HydrophobicContact CD2-CD1 4.41Å
563D85.8Confident82.7Confident58 Ų5859.5 Ų59.531%0.3133%0.33SS..  trans-71.898.9163.7173.522.2000109.5S531 I535 M561 T565 S566 A567S531-D563 VanDerWaalsContact OG-CB 3.22Å; S531-D563 WeakPolarHBondContact OG-CB 3.44Å; S531-D563 PolarHBondContact OG-N 3.24Å; I535-D563 HydrophobicContact CD1-CB 4.26Å; M561-D563 PolarHBondContact O-N 3.06Å; D563-T565 PolarHBondContact O-N 3.44Å; D563-T565 VanDerWaalsContact OD1-CB 3.31Å; D563-T565 WeakPolarHBondContact OD1-CB 3.36Å; D563-T565 PolarHBondContact OD1-N 2.68Å; D563-T565 PolarHBondContact OD1-OG1 3.26Å; D563-T565 VanDerWaalsContact OD1-OG1 3.07Å; D563-S566 PolarHBondContact O-N 2.85Å; D563-S566 VanDerWaalsContact OD2-CB 3.27Å; D563-S566 WeakPolarHBondContact OD2-CB 3.44Å; D563-S566 PolarHBondContact OD2-N 3.47Å; D563-S566 PolarHBondContact OD2-OG 2.94Å; D563-A567 PolarHBondContact O-N 3.21Å
564I85.2Confident82.7Confident32 Ų3260.6 Ų60.616%0.16434%0.34CS..Hα-helixtrans-56.7-35.8-179-56.9158.7000110.8L562 A567 L568 T587L562-I564 PolarHBondContact O-N 2.92Å; I564-A567 PolarHBondContact O-N 3.41Å; I564-L568 HydrophobicContact CG2-CD1 3.97Å; I564-L568 HydrophobicContact CG2-CG 4.19Å; I564-L568 WeakPolarHBondContact O-CB 3.33Å; I564-L568 VanDerWaalsContact O-CG 3.25Å; I564-L568 WeakPolarHBondContact O-CG 3.11Å; I564-L568 PolarHBondContact O-N 3.1Å; I564-T587 HydrophobicContact CD1-CG2 3.64Å; I564-T587 HydrophobicContact CG1-CG2 3.92Å; I564-T587 HydrophobicContact CG2-CG2 4.24Å
565T86.8Confident82.7Confident76 Ų7668.9 Ų68.947%0.46638%0.376SS..Hα-helixtrans-65-49.5-176.1-37.20000110.7D563 L568 H569 R589D563-T565 PolarHBondContact O-N 3.44Å; D563-T565 VanDerWaalsContact OD1-CB 3.31Å; D563-T565 WeakPolarHBondContact OD1-CB 3.36Å; D563-T565 PolarHBondContact OD1-N 2.68Å; D563-T565 PolarHBondContact OD1-OG1 3.26Å; D563-T565 VanDerWaalsContact OD1-OG1 3.07Å; T565-L568 PolarHBondContact O-N 3.27Å; T565-H569 PolarHBondContact O-N 3.1Å; T565-R589 PolarHBondContact OG1-NH1 3.19Å
566S86.1Confident82.9Confident47 Ų4766.4 Ų66.433%0.32936%0.364SS..Hα-helixtrans-65.9-38.6176.4-64.70000111.9I535 D563 H569 V570I535-S566 VanDerWaalsContact CD1-CB 3.47Å; D563-S566 PolarHBondContact O-N 2.85Å; D563-S566 VanDerWaalsContact OD2-CB 3.27Å; D563-S566 WeakPolarHBondContact OD2-CB 3.44Å; D563-S566 PolarHBondContact OD2-N 3.47Å; D563-S566 PolarHBondContact OD2-OG 2.94Å; S566-H569 PolarHBondContact O-N 3.17Å; S566-V570 WeakPolarHBondContact O-CG2 3.33Å; S566-V570 PolarHBondContact O-N 3.47Å
567A87.7Confident83.7Confident0 Ų064.8 Ų64.80%035%0.345CS..Hα-helixtrans-62.4-43.2176.100000112.5L538 L562 D563 I564 V570 L571 L583L538-A567 HydrophobicContact CD2-CB 3.88Å; L562-A567 HydrophobicContact CD1-CB 4.15Å; L562-A567 HydrophobicContact CD2-CB 4.09Å; L562-A567 HydrophobicContact CG-CB 4.2Å; D563-A567 PolarHBondContact O-N 3.21Å; I564-A567 PolarHBondContact O-N 3.41Å; A567-V570 PolarHBondContact O-N 3.14Å; A567-L571 WeakPolarHBondContact O-CG 3.25Å; A567-L571 PolarHBondContact O-N 3.38Å; A567-L583 HydrophobicContact CB-CD2 3.76Å
568L86.7Confident84.1Confident16 Ų1663.7 Ų63.78%0.08433%0.332CS..Hα-helixtrans-63.1-42.3174.8-71.7174.2000111.6I564 T565 V570 L571 K572 A580 L583 A584 D592 L596I564-L568 HydrophobicContact CG2-CD1 3.97Å; I564-L568 HydrophobicContact CG2-CG 4.19Å; I564-L568 WeakPolarHBondContact O-CB 3.33Å; I564-L568 VanDerWaalsContact O-CG 3.25Å; I564-L568 WeakPolarHBondContact O-CG 3.11Å; I564-L568 PolarHBondContact O-N 3.1Å; T565-L568 PolarHBondContact O-N 3.27Å; L568-V570 PolarHBondContact O-N 3Å; L568-L571 PolarHBondContact O-N 3.42Å; L568-K572 WeakPolarHBondContact O-CB 3.48Å; L568-K572 PolarHBondContact O-N 3.05Å; L568-A580 HydrophobicContact CD2-CB 4.06Å; L568-A580 VanDerWaalsContact CD2-O 3.23Å; L568-A580 WeakPolarHBondContact CD2-O 3.01Å; L568-L583 HydrophobicContact CD2-CB 4.15Å; L568-L583 HydrophobicContact CD2-CD2 3.96Å; L568-L583 HydrophobicContact CD2-CG 4.36Å; L568-L583 HydrophobicContact CG-CD2 4.24Å; L568-A584 HydrophobicContact CD1-CB 4.32Å; L568-A584 HydrophobicContact CD2-CB 4.04Å; L568-D592 HydrophobicContact CD1-CB 4.01Å; L568-L596 HydrophobicContact CD2-CD1 4.21Å
569H86.7Confident84.6Confident119 Ų11962.4 Ų62.455%0.55133%0.327SS*.Hα-helixtrans-59.9-45.4176-178.9-83.4000111.8T565 S566 K572 Q573T565-H569 PolarHBondContact O-N 3.1Å; S566-H569 PolarHBondContact O-N 3.17Å; H569-K572 PolarHBondContact O-N 2.79Å; H569-Q573 PolarHBondContact CE1-OE1 3.43Å; H569-Q573 WeakPolarHBondContact O-CB 3.48Å; H569-Q573 PolarHBondContact O-N 3.33Å
570V88.3Confident85.1Confident11 Ų1160 Ų607%0.06731%0.314CS..Hα-helixtrans-60.6-47.2176.7163.40000111.6I535 L538 N539 S566 A567 L568 K572 Q573 S574I535-V570 HydrophobicContact CG2-CG2 4Å; L538-V570 HydrophobicContact CD2-CG1 4.24Å; L538-V570 HydrophobicContact CG-CG1 4.13Å; N539-V570 WeakPolarHBondContact OD1-CG1 3.48Å; N539-V570 WeakPolarHBondContact OD1-CG2 3.25Å; S566-V570 WeakPolarHBondContact O-CG2 3.33Å; S566-V570 PolarHBondContact O-N 3.47Å; A567-V570 PolarHBondContact O-N 3.14Å; L568-V570 PolarHBondContact O-N 3Å; V570-K572 VanDerWaalsContact C-N 3.34Å; V570-K572 PolarHBondContact O-N 3.29Å; V570-Q573 PolarHBondContact O-N 2.79Å; V570-S574 WeakPolarHBondContact O-CB 3.4Å; V570-S574 PolarHBondContact O-N 3.48Å; V570-S574 PolarHBondContact O-OG 3.18Å
571L87.7Confident85.6Confident0 Ų055.4 Ų55.40%028%0.281CS..Hα-helixtrans-63.7-40.2179-71.2169.9000112L538 I550 V554 A567 L568 S574 K575 Y576 A579 A580 L583L538-L571 HydrophobicContact CD1-CD2 4.09Å; L538-L571 HydrophobicContact CD2-CD1 4.42Å; L538-L571 HydrophobicContact CD2-CD2 4.42Å; L538-L571 HydrophobicContact CD2-CG 4.1Å; I550-L571 HydrophobicContact CG2-CD2 3.93Å; V554-L571 HydrophobicContact CG2-CD1 4.18Å; A567-L571 WeakPolarHBondContact O-CG 3.25Å; A567-L571 PolarHBondContact O-N 3.38Å; L568-L571 PolarHBondContact O-N 3.42Å; L571-S574 WeakPolarHBondContact CA-OG 3.43Å; L571-S574 PolarHBondContact O-N 3.27Å; L571-S574 PolarHBondContact O-OG 3.36Å; L571-K575 PolarHBondContact O-N 2.79Å; L571-K575 VanDerWaalsContact O-N 3.16Å; L571-Y576 PolarHBondContact O-N 3.01Å; L571-A579 HydrophobicContact CD2-CB 4.23Å; L571-A580 HydrophobicContact CB-CB 3.78Å; L571-A580 HydrophobicContact CD1-CB 4.25Å; L571-L583 HydrophobicContact CD1-CB 4.43Å; L571-L583 HydrophobicContact CD1-CD2 3.9Å
572K84.5Confident85.8Confident80 Ų8054.3 Ų54.335%0.34827%0.273SS..Hα-helixtrans-64.2-48175.3-178.7166.4175151.30111.5L568 H569 V570 S574 K575 L596 D600L568-K572 WeakPolarHBondContact O-CB 3.48Å; L568-K572 PolarHBondContact O-N 3.05Å; H569-K572 PolarHBondContact O-N 2.79Å; V570-K572 VanDerWaalsContact C-N 3.34Å; V570-K572 PolarHBondContact O-N 3.29Å; K572-S574 VanDerWaalsContact C-N 3.28Å; K572-S574 PolarHBondContact O-N 3.39Å; K572-K575 PolarHBondContact O-N 3.42Å; K572-K575 VanDerWaalsContact O-N 3.11Å; K572-L596 HydrophobicContact CD-CD2 4.03Å; K572-D600 WeakPolarHBondContact CE-OD1 3.38Å; K572-D600 VanDerWaalsContact CE-OD2 3.28Å; K572-D600 WeakPolarHBondContact CE-OD2 3.43Å; K572-D600 VanDerWaalsContact NZ-CG 3.29Å; K572-D600 IonicContact NZ-OD1 2.91Å; K572-D600 PolarHBondContact NZ-OD1 3.12Å; K572-D600 IonicContact NZ-OD2 3.23Å; K572-D600 PolarHBondContact NZ-OD2 2.89Å
573Q86.6Confident85.9Confident145 Ų14553.8 Ų53.868%0.67827%0.27SS*.Hα-helixtrans-62.8-35.6178.6-172.9176.15.100112.4H569 V570 K575H569-Q573 PolarHBondContact CE1-OE1 3.43Å; H569-Q573 WeakPolarHBondContact O-CB 3.48Å; H569-Q573 PolarHBondContact O-N 3.33Å; V570-Q573 PolarHBondContact O-N 2.79Å; Q573-K575 VanDerWaalsContact C-N 3.29Å; Q573-K575 PolarHBondContact O-N 2.92Å
574S84.9Confident85.8Confident39 Ų3951 Ų5127%0.27326%0.255SS..THydrogen-bonded Turntrans-84.24.1177.655.40000114.5C542 V570 L571 K572 Y576C542-S574 PolarHBondContact SG-OG 2.71Å; C542-S574 VanDerWaalsContact SG-OG 3.34Å; V570-S574 WeakPolarHBondContact O-CB 3.4Å; V570-S574 PolarHBondContact O-N 3.48Å; V570-S574 PolarHBondContact O-OG 3.18Å; L571-S574 WeakPolarHBondContact CA-OG 3.43Å; L571-S574 PolarHBondContact O-N 3.27Å; L571-S574 PolarHBondContact O-OG 3.36Å; K572-S574 VanDerWaalsContact C-N 3.28Å; K572-S574 PolarHBondContact O-N 3.39Å; S574-Y576 VanDerWaalsContact C-N 3.27Å; S574-Y576 WeakPolarHBondContact O-CD2 3.33Å; S574-Y576 PolarHBondContact O-N 2.9Å
575K84.3Confident85.6Confident177 Ų17750.6 Ų50.677%0.7726%0.259SS*.THydrogen-bonded Turntrans6517.8178.6-55.1-179.4178-179.20115.5L571 K572 Q573 I577L571-K575 PolarHBondContact O-N 2.79Å; L571-K575 VanDerWaalsContact O-N 3.16Å; K572-K575 PolarHBondContact O-N 3.42Å; K572-K575 VanDerWaalsContact O-N 3.11Å; Q573-K575 VanDerWaalsContact C-N 3.29Å; Q573-K575 PolarHBondContact O-N 2.92Å; K575-I577 VanDerWaalsContact C-N 3.3Å; K575-I577 PolarHBondContact O-N 3.4Å
576Y86.7Confident85.3Confident56 Ų5650.6 Ų50.622%0.2226%0.256CS..  trans-89.964.3171.9-66.9-74.9000110.8C542 Q545 V547 I550 L571 S574 D578 A579 A580C542-Y576 HydrophobicContact CB-CD2 4.44Å; C542-Y576 HydrophobicContact CB-CE2 4.23Å; Q545-Y576 WeakPolarHBondContact CA-OH 3.41Å; V547-Y576 HydrophobicContact CG2-CE1 4.3Å; I550-Y576 HydrophobicContact CD1-CD1 4.43Å; I550-Y576 HydrophobicContact CD1-CD2 4.08Å; I550-Y576 HydrophobicContact CD1-CE1 4.26Å; I550-Y576 HydrophobicContact CD1-CE2 3.9Å; I550-Y576 HydrophobicContact CD1-CG 4.35Å; L571-Y576 PolarHBondContact O-N 3.01Å; S574-Y576 VanDerWaalsContact C-N 3.27Å; S574-Y576 WeakPolarHBondContact O-CD2 3.33Å; S574-Y576 PolarHBondContact O-N 2.9Å; Y576-D578 PolarHBondContact O-N 3.13Å; Y576-A579 PolarHBondContact O-N 3.35Å; Y576-A580 PolarHBondContact O-N 3.49Å; Y576-A580 VanDerWaalsContact O-N 3.09Å
577I84.4Confident85Confident35 Ų3549.7 Ų49.718%0.17925%0.248CC..Hα-helixtrans-69.1-37.4-170.9-53.1160.6000111.6K575 A579 A580 V581 D600 L601K575-I577 VanDerWaalsContact C-N 3.3Å; K575-I577 PolarHBondContact O-N 3.4Å; I577-A579 VanDerWaalsContact C-N 3.29Å; I577-A579 PolarHBondContact O-N 3.45Å; I577-A580 WeakPolarHBondContact O-CA 3.23Å; I577-A580 WeakPolarHBondContact O-CB 3.37Å; I577-A580 PolarHBondContact O-N 2.64Å; I577-V581 HydrophobicContact CG2-CG2 4.43Å; I577-V581 WeakPolarHBondContact O-CG2 3.45Å; I577-V581 PolarHBondContact O-N 2.92Å; I577-D600 HydrophobicContact CD1-CB 3.96Å; I577-D600 HydrophobicContact CG1-CB 4.48Å; I577-D600 HydrophobicContact CG2-CB 4.08Å; I577-L601 HydrophobicContact CB-CD2 4.06Å; I577-L601 HydrophobicContact CB-CG 4.29Å; I577-L601 HydrophobicContact CD1-CD2 4.17Å; I577-L601 HydrophobicContact CG2-CD1 3.87Å; I577-L601 HydrophobicContact CG2-CD2 3.96Å; I577-L601 HydrophobicContact CG2-CG 3.62Å
578D84.6Confident84.5Confident111 Ų11155 Ų5559%0.59428%0.277SS*.Hα-helixtrans-62-37.4177.3-65.4-39.6000112.4Y576 V581 K582Y576-D578 PolarHBondContact O-N 3.13Å; D578-V581 PolarHBondContact O-N 2.99Å; D578-K582 WeakPolarHBondContact O-CG 3.49Å; D578-K582 PolarHBondContact O-N 3.35Å
579A85.2Confident84.1Confident10 Ų1058.2 Ų58.28%0.08329%0.288CS..Hα-helixtrans-68.4-39.2173.300000110.9I550 V554 L571 Y576 I577 V581 K582 L583I550-A579 HydrophobicContact CG2-CB 3.82Å; V554-A579 VanDerWaalsContact CG1-O 3.31Å; V554-A579 WeakPolarHBondContact CG1-O 3.34Å; V554-A579 HydrophobicContact CG2-CB 4.3Å; L571-A579 HydrophobicContact CD2-CB 4.23Å; Y576-A579 PolarHBondContact O-N 3.35Å; I577-A579 VanDerWaalsContact C-N 3.29Å; I577-A579 PolarHBondContact O-N 3.45Å; A579-V581 VanDerWaalsContact C-N 3.35Å; A579-V581 PolarHBondContact O-N 3.49Å; A579-K582 PolarHBondContact O-N 3.28Å; A579-L583 WeakPolarHBondContact O-CB 3.32Å; A579-L583 PolarHBondContact O-N 3.27Å
580A86.2Confident83.7Confident0 Ų055.3 Ų55.30%027%0.273CS..Hα-helixtrans-61.3-42174.200000112.1L568 L571 Y576 I577 L583 A584 L596L568-A580 HydrophobicContact CD2-CB 4.06Å; L568-A580 VanDerWaalsContact CD2-O 3.23Å; L568-A580 WeakPolarHBondContact CD2-O 3.01Å; L571-A580 HydrophobicContact CB-CB 3.78Å; L571-A580 HydrophobicContact CD1-CB 4.25Å; Y576-A580 PolarHBondContact O-N 3.49Å; Y576-A580 VanDerWaalsContact O-N 3.09Å; I577-A580 WeakPolarHBondContact O-CA 3.23Å; I577-A580 WeakPolarHBondContact O-CB 3.37Å; I577-A580 PolarHBondContact O-N 2.64Å; A580-L583 PolarHBondContact O-N 2.86Å; A580-A584 WeakPolarHBondContact O-CB 3.16Å; A580-A584 PolarHBondContact O-N 3.18Å; A580-L596 HydrophobicContact CB-CD1 3.67Å
581V85.5Confident83.3Confident26 Ų2656.4 Ų56.416%0.15828%0.278CS..Hα-helixtrans-62.4-45.8175.8170.60000111.1I577 D578 A579 L583 A584 G585 L596 L597 L601I577-V581 HydrophobicContact CG2-CG2 4.43Å; I577-V581 WeakPolarHBondContact O-CG2 3.45Å; I577-V581 PolarHBondContact O-N 2.92Å; D578-V581 PolarHBondContact O-N 2.99Å; A579-V581 VanDerWaalsContact C-N 3.35Å; A579-V581 PolarHBondContact O-N 3.49Å; V581-L583 VanDerWaalsContact C-N 3.32Å; V581-L583 PolarHBondContact O-N 3.1Å; V581-A584 PolarHBondContact O-N 3.16Å; V581-G585 PolarHBondContact O-N 3.43Å; V581-L596 HydrophobicContact CG2-CB 3.89Å; V581-L596 HydrophobicContact CG2-CD1 4.39Å; V581-L597 HydrophobicContact CG1-CD2 4.29Å; V581-L597 HydrophobicContact CG1-CG 4.33Å; V581-L597 HydrophobicContact CG2-CD2 4.26Å; V581-L597 HydrophobicContact CG2-CG 4.23Å; V581-L601 HydrophobicContact CG2-CD1 4.03Å
582K84Confident82.9Confident91 Ų9159.4 Ų59.440%0.39629%0.294SS..Hα-helixtrans-61.1-39.9175.4-72.1174.3-173.7176.10111.8E551 V554 D578 A579 G585 N586E551-K582 IonicContact OE1-NZ 3.61Å; E551-K582 PolarHBondContact OE1-NZ 3.25Å; V554-K582 HydrophobicContact CG1-CB 3.51Å; D578-K582 WeakPolarHBondContact O-CG 3.49Å; D578-K582 PolarHBondContact O-N 3.35Å; A579-K582 PolarHBondContact O-N 3.28Å; K582-G585 PolarHBondContact O-N 3.41Å; K582-N586 WeakPolarHBondContact O-CB 3.48Å; K582-N586 PolarHBondContact O-N 3.34Å; K582-N586 PolarHBondContact O-ND2 2.88Å
583L85.5Confident82.7Confident0 Ų055.6 Ų55.60%028%0.277CS..Hα-helixtrans-66.2-47.5179.3-17470.8000111.4V554 I558 L562 A567 L568 L571 A579 A580 V581 G585 N586 T587V554-L583 HydrophobicContact CB-CD1 4.49Å; V554-L583 HydrophobicContact CG1-CB 3.75Å; V554-L583 HydrophobicContact CG1-CD1 4.37Å; V554-L583 HydrophobicContact CG2-CB 4.16Å; V554-L583 HydrophobicContact CG2-CD1 4.26Å; I558-L583 HydrophobicContact CD1-CD1 3.7Å; I558-L583 HydrophobicContact CG1-CD1 4.39Å; I558-L583 HydrophobicContact CG2-CD1 4.42Å; L562-L583 HydrophobicContact CD2-CD1 4.41Å; A567-L583 HydrophobicContact CB-CD2 3.76Å; L568-L583 HydrophobicContact CD2-CB 4.15Å; L568-L583 HydrophobicContact CD2-CD2 3.96Å; L568-L583 HydrophobicContact CD2-CG 4.36Å; L568-L583 HydrophobicContact CG-CD2 4.24Å; L571-L583 HydrophobicContact CD1-CB 4.43Å; L571-L583 HydrophobicContact CD1-CD2 3.9Å; A579-L583 WeakPolarHBondContact O-CB 3.32Å; A579-L583 PolarHBondContact O-N 3.27Å; A580-L583 PolarHBondContact O-N 2.86Å; V581-L583 VanDerWaalsContact C-N 3.32Å; V581-L583 PolarHBondContact O-N 3.1Å; L583-G585 VanDerWaalsContact C-N 3.34Å; L583-G585 PolarHBondContact O-N 2.89Å; L583-N586 PolarHBondContact O-N 3.35Å; L583-T587 WeakPolarHBondContact O-CG2 3.31Å; L583-T587 PolarHBondContact O-N 3.46Å; L583-T587 PolarHBondContact O-OG1 2.72Å
584A84.1Confident82.4Confident0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-62.4-42177.500000111.4L568 A580 V581 T587 R589 D592L568-A584 HydrophobicContact CD1-CB 4.32Å; L568-A584 HydrophobicContact CD2-CB 4.04Å; A580-A584 WeakPolarHBondContact O-CB 3.16Å; A580-A584 PolarHBondContact O-N 3.18Å; V581-A584 PolarHBondContact O-N 3.16Å; A584-T587 PolarHBondContact O-N 3.33Å; A584-T587 PolarHBondContact O-OG1 3.05Å; A584-R589 PolarHBondContact O-N 3.45Å; A584-R589 VanDerWaalsContact O-N 3.1Å; A584-D592 HydrophobicContact CB-CB 4.36Å
585G81.4Confident82.4Confident24 Ų2447 Ų4725%0.24723%0.233CC..Hα-helixtrans-64.7-37.6176.500000114V581 K582 L583 T587V581-G585 PolarHBondContact O-N 3.43Å; K582-G585 PolarHBondContact O-N 3.41Å; L583-G585 VanDerWaalsContact C-N 3.34Å; L583-G585 PolarHBondContact O-N 2.89Å; G585-T587 VanDerWaalsContact C-N 3.29Å; G585-T587 PolarHBondContact O-N 2.79Å
586N80.9Confident82.3Confident76 Ų7639.2 Ų39.241%0.40620%0.2SC..Hα-helixtrans-77.8-10.9179.4-71.6-11.5000113.9V554 I558 K582 L583V554-N586 PolarHBondContact O-ND2 3.48Å; I558-N586 HydrophobicContact CD1-CB 3.41Å; I558-N586 VanDerWaalsContact CD1-CB 3.41Å; I558-N586 HydrophobicContact CG1-CB 4.42Å; K582-N586 WeakPolarHBondContact O-CB 3.48Å; K582-N586 PolarHBondContact O-N 3.34Å; K582-N586 PolarHBondContact O-ND2 2.88Å; L583-N586 PolarHBondContact O-N 3.35Å
587T79.1Confident82.1Confident27 Ų2737.2 Ų37.217%0.16619%0.193CC..THydrogen-bonded Turntrans-109.715-177.651.70000113.4I558 I564 L583 A584 G585 R589I558-T587 HydrophobicContact CD1-CG2 3.38Å; I558-T587 HydrophobicContact CG2-CG2 4.32Å; I564-T587 HydrophobicContact CD1-CG2 3.64Å; I564-T587 HydrophobicContact CG1-CG2 3.92Å; I564-T587 HydrophobicContact CG2-CG2 4.24Å; L583-T587 WeakPolarHBondContact O-CG2 3.31Å; L583-T587 PolarHBondContact O-N 3.46Å; L583-T587 PolarHBondContact O-OG1 2.72Å; A584-T587 PolarHBondContact O-N 3.33Å; A584-T587 PolarHBondContact O-OG1 3.05Å; G585-T587 VanDerWaalsContact C-N 3.29Å; G585-T587 PolarHBondContact O-N 2.79Å; T587-R589 PolarHBondContact O-N 3.05Å
588D76.6Confident82Confident111 Ų11135.5 Ų35.559%0.59419%0.185SC*.THydrogen-bonded Turntrans55.717.6-174.1-60.5-49.3000114.1Y590D588-Y590 HydrophobicContact CB-CE2 3.83Å; D588-Y590 VanDerWaalsContact O-CD2 3.3Å; D588-Y590 WeakPolarHBondContact O-CD2 3.35Å; D588-Y590 PolarHBondContact O-N 3.05Å; D588-Y590 VanDerWaalsContact O-N 3.13Å; D588-Y590 PolarHBondContact OD1-OH 2.93Å
589R78.9Confident81.8Confident84 Ų8434.9 Ų34.932%0.31718%0.178SC..  trans-89.361.2173.9-67.3-158.8176.6-173.20.9110.8T565 A584 T587 I591 D592 S593T565-R589 PolarHBondContact OG1-NH1 3.19Å; A584-R589 PolarHBondContact O-N 3.45Å; A584-R589 VanDerWaalsContact O-N 3.1Å; T587-R589 PolarHBondContact O-N 3.05Å; R589-I591 VanDerWaalsContact C-N 3.26Å; R589-I591 PolarHBondContact O-N 3.48Å; R589-D592 HydrophobicContact CB-CB 4.42Å; R589-D592 VanDerWaalsContact CD-OD2 3.31Å; R589-D592 WeakPolarHBondContact CD-OD2 3.49Å; R589-D592 IonicContact NH1-OD2 3.03Å; R589-D592 PolarHBondContact O-N 2.72Å; R589-S593 PolarHBondContact O-N 3.49Å
590Y78.7Confident81.6Confident59 Ų5937 Ų3723%0.23119%0.188CC..Hα-helixtrans-60.9-33.8-174.7-59-70.9000113.4D588 S593 I594 L614 E618D588-Y590 HydrophobicContact CB-CE2 3.83Å; D588-Y590 VanDerWaalsContact O-CD2 3.3Å; D588-Y590 WeakPolarHBondContact O-CD2 3.35Å; D588-Y590 PolarHBondContact O-N 3.05Å; D588-Y590 VanDerWaalsContact O-N 3.13Å; D588-Y590 PolarHBondContact OD1-OH 2.93Å; Y590-S593 WeakPolarHBondContact O-CB 3.22Å; Y590-S593 PolarHBondContact O-N 2.97Å; Y590-I594 WeakPolarHBondContact O-CD1 3.28Å; Y590-I594 WeakPolarHBondContact O-CG1 3.37Å; Y590-I594 PolarHBondContact O-N 2.66Å; Y590-L614 HydrophobicContact CD1-CD2 3.45Å; Y590-L614 VanDerWaalsContact CD1-CD2 3.45Å; Y590-L614 HydrophobicContact CD2-CD2 3.66Å; Y590-L614 HydrophobicContact CE1-CD2 3.91Å; Y590-L614 HydrophobicContact CE2-CD2 4.13Å; Y590-L614 HydrophobicContact CG-CD1 4.36Å; Y590-L614 HydrophobicContact CG-CD2 3.3Å; Y590-L614 HydrophobicContact CG-CG 4.48Å; Y590-E618 VanDerWaalsContact CD2-OE2 3.24Å; Y590-E618 WeakPolarHBondContact CD2-OE2 3.47Å
591I79.8Confident81.2Confident34 Ų3440 Ų4017%0.17420%0.204CC..Hα-helixtrans-62.7-48.3179.4-61.7166.8000110.9R589 S593 I594 G595 K621 E625 Y626R589-I591 VanDerWaalsContact C-N 3.26Å; R589-I591 PolarHBondContact O-N 3.48Å; I591-S593 VanDerWaalsContact C-N 3.29Å; I591-S593 PolarHBondContact O-N 3.3Å; I591-I594 PolarHBondContact O-N 3.02Å; I591-I594 VanDerWaalsContact O-N 3.14Å; I591-G595 PolarHBondContact O-N 2.66Å; I591-K621 HydrophobicContact CD1-CD 3.54Å; I591-K621 VanDerWaalsContact CD1-CE 3.48Å; I591-K621 HydrophobicContact CD1-CG 4.06Å; I591-E625 WeakPolarHBondContact CG2-OE2 3.27Å; I591-Y626 HydrophobicContact CG2-CE2 4.18Å
592D78.9Confident80.9Confident62 Ų6242.1 Ų42.133%0.33222%0.22SC..Hα-helixtrans-61.7-41.6177.1-63.1-24.7000110.2L568 A584 R589 I594 G595 L596L568-D592 HydrophobicContact CD1-CB 4.01Å; A584-D592 HydrophobicContact CB-CB 4.36Å; R589-D592 HydrophobicContact CB-CB 4.42Å; R589-D592 VanDerWaalsContact CD-OD2 3.31Å; R589-D592 WeakPolarHBondContact CD-OD2 3.49Å; R589-D592 IonicContact NH1-OD2 3.03Å; R589-D592 PolarHBondContact O-N 2.72Å; D592-I594 VanDerWaalsContact C-N 3.32Å; D592-I594 PolarHBondContact O-N 2.51Å; D592-G595 PolarHBondContact O-N 2.79Å; D592-L596 VanDerWaalsContact O-CG 3.26Å; D592-L596 WeakPolarHBondContact O-CG 3.32Å; D592-L596 PolarHBondContact O-N 2.73Å
593S80.7Confident80.8Confident1 Ų140.7 Ų40.71%0.00722%0.216CC..Hα-helixtrans-62.1-38.4176.1-169.90000112.6R589 Y590 I591 L597 M610R589-S593 PolarHBondContact O-N 3.49Å; Y590-S593 WeakPolarHBondContact O-CB 3.22Å; Y590-S593 PolarHBondContact O-N 2.97Å; I591-S593 VanDerWaalsContact C-N 3.29Å; I591-S593 PolarHBondContact O-N 3.3Å; S593-L597 VanDerWaalsContact O-CG 3.3Å; S593-L597 WeakPolarHBondContact O-CG 3.43Å; S593-L597 PolarHBondContact O-N 2.58Å; S593-L597 VanDerWaalsContact O-N 3.1Å; S593-M610 VanDerWaalsContact CB-CE 3.46Å; S593-M610 VanDerWaalsContact OG-CE 3.24Å; S593-M610 WeakPolarHBondContact OG-CE 3.46Å
594I80.9Confident80.6Confident0 Ų040.9 Ų40.90%022%0.219CC..Hα-helixtrans-69-43.6176.4-69.4162.4000109.8Y590 I591 D592 L596 L597 I598 A607 M610 I611 L614 S622 Y626Y590-I594 WeakPolarHBondContact O-CD1 3.28Å; Y590-I594 WeakPolarHBondContact O-CG1 3.37Å; Y590-I594 PolarHBondContact O-N 2.66Å; I591-I594 PolarHBondContact O-N 3.02Å; I591-I594 VanDerWaalsContact O-N 3.14Å; D592-I594 VanDerWaalsContact C-N 3.32Å; D592-I594 PolarHBondContact O-N 2.51Å; I594-L596 PolarHBondContact O-N 2.73Å; I594-L597 PolarHBondContact O-N 2.7Å; I594-I598 HydrophobicContact CG2-CD1 3.49Å; I594-I598 VanDerWaalsContact CG2-CD1 3.49Å; I594-I598 HydrophobicContact CG2-CG1 4.24Å; I594-I598 WeakPolarHBondContact O-CB 3.46Å; I594-I598 VanDerWaalsContact O-CG1 3.3Å; I594-I598 WeakPolarHBondContact O-CG1 3.49Å; I594-I598 PolarHBondContact O-N 3.12Å; I594-A607 HydrophobicContact CG2-CB 4.42Å; I594-M610 HydrophobicContact CB-CE 4.26Å; I594-M610 HydrophobicContact CD1-CE 4.24Å; I594-M610 HydrophobicContact CG1-CE 3.28Å; I594-I611 HydrophobicContact CD1-CD1 4.2Å; I594-I611 HydrophobicContact CD1-CG1 3.42Å; I594-I611 VanDerWaalsContact CD1-CG1 3.42Å; I594-I611 HydrophobicContact CG1-CG1 4.07Å; I594-I611 HydrophobicContact CG2-CD1 4.19Å; I594-L614 HydrophobicContact CD1-CD1 3.86Å; I594-S622 WeakPolarHBondContact CD1-OG 3.14Å; I594-Y626 HydrophobicContact CB-CD2 4.4Å; I594-Y626 HydrophobicContact CB-CE2 4.43Å; I594-Y626 HydrophobicContact CG2-CD2 3.59Å; I594-Y626 HydrophobicContact CG2-CE2 4.07Å; I594-Y626 HydrophobicContact CG2-CG 4.17Å
595G83.2Confident80.6Confident3 Ų347.2 Ų47.23%0.03125%0.246CC..Hα-helixtrans-56-49174.700000112I591 D592 L597 I598 E599 Y626I591-G595 PolarHBondContact O-N 2.66Å; D592-G595 PolarHBondContact O-N 2.79Å; G595-L597 PolarHBondContact O-N 2.84Å; G595-I598 PolarHBondContact O-N 3.46Å; G595-E599 VanDerWaalsContact O-CB 3.29Å; G595-E599 WeakPolarHBondContact O-CB 3.32Å; G595-E599 WeakPolarHBondContact O-CG 3.46Å; G595-E599 PolarHBondContact O-N 3.38Å; G595-Y626 VanDerWaalsContact CA-OH 3.24Å; G595-Y626 WeakPolarHBondContact CA-OH 3.44Å
596L82.9Confident80.7Confident14 Ų1448.2 Ų48.27%0.07325%0.249CC..Iπ-helixtrans-60.5-41.7176.4-68.8170.5000112.4L568 K572 A580 V581 D592 I594 D600 L601L568-L596 HydrophobicContact CD2-CD1 4.21Å; K572-L596 HydrophobicContact CD-CD2 4.03Å; A580-L596 HydrophobicContact CB-CD1 3.67Å; V581-L596 HydrophobicContact CG2-CB 3.89Å; V581-L596 HydrophobicContact CG2-CD1 4.39Å; D592-L596 VanDerWaalsContact O-CG 3.26Å; D592-L596 WeakPolarHBondContact O-CG 3.32Å; D592-L596 PolarHBondContact O-N 2.73Å; I594-L596 PolarHBondContact O-N 2.73Å; L596-D600 VanDerWaalsContact CD2-OD2 3.32Å; L596-D600 WeakPolarHBondContact CD2-OD2 3.41Å; L596-D600 WeakPolarHBondContact O-CB 3.27Å; L596-D600 PolarHBondContact O-N 3.45Å; L596-D600 VanDerWaalsContact O-N 3.17Å; L596-L601 PolarHBondContact O-N 3.03Å
597L82.1Confident80.9Confident13 Ų1344.6 Ų44.67%0.06823%0.23CC..Iπ-helixtrans-65.1-40.5177.9-75.9167.9000112.2V581 S593 I594 G595 L601 S602 D603 A607 M610V581-L597 HydrophobicContact CG1-CD2 4.29Å; V581-L597 HydrophobicContact CG1-CG 4.33Å; V581-L597 HydrophobicContact CG2-CD2 4.26Å; V581-L597 HydrophobicContact CG2-CG 4.23Å; S593-L597 VanDerWaalsContact O-CG 3.3Å; S593-L597 WeakPolarHBondContact O-CG 3.43Å; S593-L597 PolarHBondContact O-N 2.58Å; S593-L597 VanDerWaalsContact O-N 3.1Å; I594-L597 PolarHBondContact O-N 2.7Å; G595-L597 PolarHBondContact O-N 2.84Å; L597-L601 HydrophobicContact CD2-CD1 3.94Å; L597-L601 CarbonylContact O-C 3.39Å; L597-S602 CarbonylContact O-C 3.57Å; L597-S602 PolarHBondContact O-N 3.23Å; L597-D603 PolarHBondContact O-N 2.93Å; L597-A607 HydrophobicContact CB-CB 4.12Å; L597-A607 HydrophobicContact CD1-CB 4.4Å; L597-M610 HydrophobicContact CD1-CE 3.72Å; L597-M610 HydrophobicContact CD1-SD 4.23Å
598I82.2Confident81.2Confident0 Ų043.5 Ų43.50%022%0.223CC..Iπ-helixtrans-84.5-48.7-173.9-63.6175.8000111.4I594 G595 S602 A607 Y626 Q629 L630 R633I594-I598 HydrophobicContact CG2-CD1 3.49Å; I594-I598 VanDerWaalsContact CG2-CD1 3.49Å; I594-I598 HydrophobicContact CG2-CG1 4.24Å; I594-I598 WeakPolarHBondContact O-CB 3.46Å; I594-I598 VanDerWaalsContact O-CG1 3.3Å; I594-I598 WeakPolarHBondContact O-CG1 3.49Å; I594-I598 PolarHBondContact O-N 3.12Å; G595-I598 PolarHBondContact O-N 3.46Å; I598-S602 WeakPolarHBondContact O-CA 3.41Å; I598-A607 HydrophobicContact CD1-CB 3.9Å; I598-A607 HydrophobicContact CG1-CB 3.58Å; I598-Y626 VanDerWaalsContact CD1-CB 3.48Å; I598-Y626 HydrophobicContact CD1-CD1 4.29Å; I598-Y626 HydrophobicContact CD1-CG 3.86Å; I598-Q629 HydrophobicContact CG2-CB 3.83Å; I598-Q629 HydrophobicContact CG2-CG 4.45Å; I598-L630 HydrophobicContact CD1-CD1 4.18Å; I598-L630 HydrophobicContact CD1-CD2 3.67Å; I598-L630 HydrophobicContact CD1-CG 3.87Å; I598-L630 HydrophobicContact CG1-CD2 4.22Å; I598-R633 PolarHBondContact O-NH1 3.19Å; I598-R633 PolarHBondContact O-NH2 3.04Å
599E81.6Confident81.6Confident97 Ų9745.1 Ų45.145%0.45323%0.225SC..Iπ-helixtrans-77.6-48.8-175.1-63.5-177.2173.600111.7G595 Y626G595-E599 VanDerWaalsContact O-CB 3.29Å; G595-E599 WeakPolarHBondContact O-CB 3.32Å; G595-E599 WeakPolarHBondContact O-CG 3.46Å; G595-E599 PolarHBondContact O-N 3.38Å; E599-Y626 HydrophobicContact CG-CE1 4.46Å
600D79.9Confident81.8Confident56 Ų5642.9 Ų42.930%0.29922%0.218SC..Iπ-helixtrans-93.5-45.1-170.9-59.9-67.5000112.7K572 I577 L596K572-D600 WeakPolarHBondContact CE-OD1 3.38Å; K572-D600 VanDerWaalsContact CE-OD2 3.28Å; K572-D600 WeakPolarHBondContact CE-OD2 3.43Å; K572-D600 VanDerWaalsContact NZ-CG 3.29Å; K572-D600 IonicContact NZ-OD1 2.91Å; K572-D600 PolarHBondContact NZ-OD1 3.12Å; K572-D600 IonicContact NZ-OD2 3.23Å; K572-D600 PolarHBondContact NZ-OD2 2.89Å; I577-D600 HydrophobicContact CD1-CB 3.96Å; I577-D600 HydrophobicContact CG1-CB 4.48Å; I577-D600 HydrophobicContact CG2-CB 4.08Å; L596-D600 VanDerWaalsContact CD2-OD2 3.32Å; L596-D600 WeakPolarHBondContact CD2-OD2 3.41Å; L596-D600 WeakPolarHBondContact O-CB 3.27Å; L596-D600 PolarHBondContact O-N 3.45Å; L596-D600 VanDerWaalsContact O-N 3.17Å
601L79.3Confident82.1Confident63 Ų6340.1 Ų40.133%0.3321%0.208SC..SBendtrans-89.4-12.5179.9-67.9173.6000114.1I577 V581 L596 L597 D603I577-L601 HydrophobicContact CB-CD2 4.06Å; I577-L601 HydrophobicContact CB-CG 4.29Å; I577-L601 HydrophobicContact CD1-CD2 4.17Å; I577-L601 HydrophobicContact CG2-CD1 3.87Å; I577-L601 HydrophobicContact CG2-CD2 3.96Å; I577-L601 HydrophobicContact CG2-CG 3.62Å; V581-L601 HydrophobicContact CG2-CD1 4.03Å; L596-L601 PolarHBondContact O-N 3.03Å; L597-L601 HydrophobicContact CD2-CD1 3.94Å; L597-L601 CarbonylContact O-C 3.39Å; L601-D603 PolarHBondContact O-N 3.27Å; L601-D603 VanDerWaalsContact O-N 3.07Å
602S77.7Confident82.3Confident70 Ų7041.4 Ų41.449%0.4922%0.215SC..  trans53.620.5-173.8-650000115.7L597 I598 G604 R633L597-S602 CarbonylContact O-C 3.57Å; L597-S602 PolarHBondContact O-N 3.23Å; I598-S602 WeakPolarHBondContact O-CA 3.41Å; S602-G604 PolarHBondContact O-N 2.94Å; S602-R633 VanDerWaalsContact CA-NH1 3.32Å
603D83.5Confident82.5Confident60 Ų6047.3 Ų47.332%0.32124%0.238SC..  trans-92.381-178.6-171.9-5000111.8L597 L601 K605 S606 A607L597-D603 PolarHBondContact O-N 2.93Å; L601-D603 PolarHBondContact O-N 3.27Å; L601-D603 VanDerWaalsContact O-N 3.07Å; D603-K605 VanDerWaalsContact C-N 3.26Å; D603-K605 PolarHBondContact O-N 3.28Å; D603-K605 PolarHBondContact OD1-N 3.4Å; D603-S606 VanDerWaalsContact CG-CB 3.48Å; D603-S606 VanDerWaalsContact CG-OG 3.28Å; D603-S606 PolarHBondContact OD1-N 3.47Å; D603-S606 PolarHBondContact OD1-OG 3.34Å; D603-S606 WeakPolarHBondContact OD2-CB 3.44Å; D603-S606 PolarHBondContact OD2-OG 3.43Å; D603-A607 PolarHBondContact O-N 3.33Å
604G80.6Confident82.6Confident5 Ų548.5 Ų48.55%0.05224%0.244CC..Hα-helixtrans-63.3-28176.600000113.9S602 L608S602-G604 PolarHBondContact O-N 2.94Å; G604-L608 WeakPolarHBondContact O-CB 3.45Å; G604-L608 VanDerWaalsContact O-CG 3.28Å; G604-L608 WeakPolarHBondContact O-CG 3.42Å; G604-L608 PolarHBondContact O-N 2.98Å
605K84.3Confident82.8Confident132 Ų13252.4 Ų52.457%0.57427%0.265SS*.Hα-helixtrans-73.7-43-177.6-71.9-178178.2177.40111.4D603 L608 K609D603-K605 VanDerWaalsContact C-N 3.26Å; D603-K605 PolarHBondContact O-N 3.28Å; D603-K605 PolarHBondContact OD1-N 3.4Å; K605-L608 PolarHBondContact O-N 2.83Å; K605-K609 WeakPolarHBondContact O-CG 3.49Å; K605-K609 PolarHBondContact O-N 3.09Å
606S82.3Confident82.8Confident45 Ų4552.9 Ų52.932%0.31527%0.266SS..Hα-helixtrans-67.9-38.5175.1-64.30000111.5D603 L608 K609 M610D603-S606 VanDerWaalsContact CG-CB 3.48Å; D603-S606 VanDerWaalsContact CG-OG 3.28Å; D603-S606 PolarHBondContact OD1-N 3.47Å; D603-S606 PolarHBondContact OD1-OG 3.34Å; D603-S606 WeakPolarHBondContact OD2-CB 3.44Å; D603-S606 PolarHBondContact OD2-OG 3.43Å; S606-L608 PolarHBondContact O-N 2.9Å; S606-K609 PolarHBondContact O-N 3.37Å; S606-M610 WeakPolarHBondContact O-CB 3.44Å; S606-M610 PolarHBondContact O-N 3.48Å
607A85.3Confident82.7Confident0 Ų056 Ų560%028%0.283CS..Hα-helixtrans-57.9-47.417200000111.8I594 L597 I598 D603 K609 M610 I611 L630I594-A607 HydrophobicContact CG2-CB 4.42Å; L597-A607 HydrophobicContact CB-CB 4.12Å; L597-A607 HydrophobicContact CD1-CB 4.4Å; I598-A607 HydrophobicContact CD1-CB 3.9Å; I598-A607 HydrophobicContact CG1-CB 3.58Å; D603-A607 PolarHBondContact O-N 3.33Å; A607-K609 PolarHBondContact O-N 3.16Å; A607-M610 PolarHBondContact O-N 3.11Å; A607-M610 VanDerWaalsContact O-N 3.15Å; A607-I611 VanDerWaalsContact O-CG1 3.25Å; A607-I611 WeakPolarHBondContact O-CG1 3.3Å; A607-I611 PolarHBondContact O-N 3.2Å; A607-L630 HydrophobicContact CB-CD2 4.37Å
608L85Confident82.8Confident5 Ų558.2 Ų58.23%0.02629%0.293CS..Hα-helixtrans-64.3-37.2176.8-75.2169.8000113.3G604 K605 S606 M610 N612 L630 C634 D637 L641G604-L608 WeakPolarHBondContact O-CB 3.45Å; G604-L608 VanDerWaalsContact O-CG 3.28Å; G604-L608 WeakPolarHBondContact O-CG 3.42Å; G604-L608 PolarHBondContact O-N 2.98Å; K605-L608 PolarHBondContact O-N 2.83Å; S606-L608 PolarHBondContact O-N 2.9Å; L608-M610 VanDerWaalsContact C-N 3.3Å; L608-N612 VanDerWaalsContact O-CB 3.3Å; L608-N612 WeakPolarHBondContact O-CB 3.32Å; L608-N612 PolarHBondContact O-N 3.45Å; L608-N612 PolarHBondContact O-ND2 3.47Å; L608-L630 HydrophobicContact CD2-CD1 3.95Å; L608-L630 HydrophobicContact CD2-CD2 4.25Å; L608-L630 HydrophobicContact CD2-CG 4.49Å; L608-L630 HydrophobicContact CG-CD2 3.99Å; L608-C634 HydrophobicContact CD1-CB 3.68Å; L608-D637 HydrophobicContact CD1-CB 3.63Å; L608-L641 HydrophobicContact CD2-CD2 3.52Å
609K85.3Confident82.9Confident144 Ų14458.4 Ų58.463%0.62629%0.294SS*.Hα-helixtrans-64.3-36.9173.4-76.2176.7-177.1176.80111.8K605 S606 A607K605-K609 WeakPolarHBondContact O-CG 3.49Å; K605-K609 PolarHBondContact O-N 3.09Å; S606-K609 PolarHBondContact O-N 3.37Å; A607-K609 PolarHBondContact O-N 3.16Å
610M82.8Confident83Confident37 Ų3754.5 Ų54.518%0.18228%0.276CS..Hα-helixtrans-71.7-48.5178.3-164.716275.200110.9S593 I594 L597 S606 A607 L608 N612 K613 L614S593-M610 VanDerWaalsContact CB-CE 3.46Å; S593-M610 VanDerWaalsContact OG-CE 3.24Å; S593-M610 WeakPolarHBondContact OG-CE 3.46Å; I594-M610 HydrophobicContact CB-CE 4.26Å; I594-M610 HydrophobicContact CD1-CE 4.24Å; I594-M610 HydrophobicContact CG1-CE 3.28Å; L597-M610 HydrophobicContact CD1-CE 3.72Å; L597-M610 HydrophobicContact CD1-SD 4.23Å; S606-M610 WeakPolarHBondContact O-CB 3.44Å; S606-M610 PolarHBondContact O-N 3.48Å; A607-M610 PolarHBondContact O-N 3.11Å; A607-M610 VanDerWaalsContact O-N 3.15Å; L608-M610 VanDerWaalsContact C-N 3.3Å; M610-N612 PolarHBondContact O-N 3.36Å; M610-K613 WeakPolarHBondContact O-CB 3.43Å; M610-K613 PolarHBondContact O-N 3.2Å; M610-L614 PolarHBondContact O-N 3.07Å
611I84.8Confident83.2Confident1 Ų156.8 Ų56.81%0.00528%0.284CS..Hα-helixtrans-56-39.5175.2-63.8161.9000111I594 A607 K613 L614 A619 I623 L630 L641I594-I611 HydrophobicContact CD1-CD1 4.2Å; I594-I611 HydrophobicContact CD1-CG1 3.42Å; I594-I611 VanDerWaalsContact CD1-CG1 3.42Å; I594-I611 HydrophobicContact CG1-CG1 4.07Å; I594-I611 HydrophobicContact CG2-CD1 4.19Å; A607-I611 VanDerWaalsContact O-CG1 3.25Å; A607-I611 WeakPolarHBondContact O-CG1 3.3Å; A607-I611 PolarHBondContact O-N 3.2Å; I611-K613 PolarHBondContact O-N 2.91Å; I611-K613 VanDerWaalsContact O-N 3.15Å; I611-L614 PolarHBondContact O-N 3Å; I611-L614 VanDerWaalsContact O-N 3.13Å; I611-A619 HydrophobicContact CG2-CB 3.88Å; I611-I623 HydrophobicContact CG2-CD1 4.37Å; I611-I623 HydrophobicContact CG2-CG1 4.27Å; I611-L630 HydrophobicContact CD1-CD1 3.6Å; I611-L641 HydrophobicContact CB-CD2 4.18Å; I611-L641 HydrophobicContact CG2-CD1 4.2Å; I611-L641 HydrophobicContact CG2-CD2 3.65Å; I611-L641 HydrophobicContact CG2-CG 4.49Å
612N84.8Confident83.3Confident61 Ų6153.8 Ų53.833%0.32627%0.268SS..THydrogen-bonded Turntrans-62.2-19.9177.8-96.1-59.3000115.3L608 M610 L641 K644L608-N612 VanDerWaalsContact O-CB 3.3Å; L608-N612 WeakPolarHBondContact O-CB 3.32Å; L608-N612 PolarHBondContact O-N 3.45Å; L608-N612 PolarHBondContact O-ND2 3.47Å; M610-N612 PolarHBondContact O-N 3.36Å; N612-L641 WeakPolarHBondContact OD1-CD1 3.35Å; N612-K644 PolarHBondContact O-NZ 2.94Å; N612-K644 VanDerWaalsContact O-NZ 3.15Å; N612-K644 PolarHBondContact OD1-NZ 3.24Å
613K83.8Confident83.7Confident187 Ų18750.6 Ų50.681%0.81325%0.245SC*.THydrogen-bonded Turntrans-94.3-15.8177.9-68.1178.9179-176.30113.1M610 I611M610-K613 WeakPolarHBondContact O-CB 3.43Å; M610-K613 PolarHBondContact O-N 3.2Å; I611-K613 PolarHBondContact O-N 2.91Å; I611-K613 VanDerWaalsContact O-N 3.15Å
614L83.3Confident83.7Confident26 Ų2648.6 Ų48.614%0.13624%0.236CC..SBendtrans-71.2161.7-178.5-59.3-179.2000111.6Y590 I594 M610 I611 E618 A619Y590-L614 HydrophobicContact CD1-CD2 3.45Å; Y590-L614 VanDerWaalsContact CD1-CD2 3.45Å; Y590-L614 HydrophobicContact CD2-CD2 3.66Å; Y590-L614 HydrophobicContact CE1-CD2 3.91Å; Y590-L614 HydrophobicContact CE2-CD2 4.13Å; Y590-L614 HydrophobicContact CG-CD1 4.36Å; Y590-L614 HydrophobicContact CG-CD2 3.3Å; Y590-L614 HydrophobicContact CG-CG 4.48Å; I594-L614 HydrophobicContact CD1-CD1 3.86Å; M610-L614 PolarHBondContact O-N 3.07Å; I611-L614 PolarHBondContact O-N 3Å; I611-L614 VanDerWaalsContact O-N 3.13Å; L614-E618 HydrophobicContact CB-CB 4.11Å; L614-E618 HydrophobicContact CD1-CB 4.12Å; L614-A619 HydrophobicContact CB-CB 4.31Å
615N85.1Confident83.7Confident82 Ų8252.8 Ų52.844%0.43925%0.254SS..  trans-65165.3167.666.538.6000110.4D617 E618 A619N615-D617 PolarHBondContact O-N 3.42Å; N615-D617 PolarHBondContact OD1-N 2.88Å; N615-E618 PolarHBondContact ND2-OE1 3.42Å; N615-E618 PolarHBondContact O-N 3.09Å; N615-E618 VanDerWaalsContact OD1-CB 3.22Å; N615-E618 WeakPolarHBondContact OD1-CB 3.5Å; N615-E618 VanDerWaalsContact OD1-CG 3.25Å; N615-E618 WeakPolarHBondContact OD1-CG 3.3Å; N615-E618 PolarHBondContact OD1-N 3.34Å; N615-A619 VanDerWaalsContact O-CB 3.28Å; N615-A619 WeakPolarHBondContact O-CB 3.33Å; N615-A619 PolarHBondContact O-N 3.36Å
616F82.6Confident83.7Confident13 Ų1347.8 Ų47.86%0.05723%0.232CC..Hα-helixtrans-59.5-43.1-173.3178.4-96.2000113.5L620 L645 H648 D650 R653 I654F616-L620 HydrophobicContact CE1-CD2 4.4Å; F616-L620 WeakPolarHBondContact O-CB 3.4Å; F616-L620 PolarHBondContact O-N 3.34Å; F616-L645 HydrophobicContact CD2-CD2 3.69Å; F616-L645 HydrophobicContact CE2-CB 4.29Å; F616-L645 HydrophobicContact CE2-CD2 3.92Å; F616-L645 WeakPolarHBondContact CE2-O 3.46Å; F616-H648 HydrophobicContact CD2-CB 3.7Å; F616-H648 AromaticContact CD2-CG 3.52Å; F616-H648 AromaticContact CD2-ND1 3.39Å; F616-H648 WeakPolarHBondContact CD2-ND1 3.3Å; F616-H648 HydrophobicContact CE2-CB 3.73Å; F616-H648 AromaticContact CG-ND1 3.68Å; F616-D650 HydrophobicContact CD1-CB 3.59Å; F616-D650 HydrophobicContact CD2-CB 4.45Å; F616-D650 HydrophobicContact CE1-CB 3.71Å; F616-D650 WeakPolarHBondContact CE1-O 3.32Å; F616-D650 HydrophobicContact CG-CB 3.97Å; F616-D650 HydrophobicContact CZ-CB 4.2Å; F616-D650 VanDerWaalsContact CZ-O 3.26Å; F616-D650 WeakPolarHBondContact CZ-O 3.16Å; F616-R653 HydrophobicContact CE1-CB 4.13Å; F616-I654 HydrophobicContact CE2-CD1 4.06Å; F616-I654 HydrophobicContact CE2-CG1 4.36Å; F616-I654 HydrophobicContact CZ-CD1 3.85Å; F616-I654 HydrophobicContact CZ-CG1 3.66Å
617D81.2Confident83.7Confident80 Ų8045.6 Ų45.643%0.42822%0.217SC..Hα-helixtrans-69.6-42.2-176.1-67.2-36.8000112N615 L620 K621 R653N615-D617 PolarHBondContact O-N 3.42Å; N615-D617 PolarHBondContact OD1-N 2.88Å; D617-L620 PolarHBondContact O-N 3.04Å; D617-K621 PolarHBondContact O-N 3.47Å; D617-R653 IonicContact OD1-CZ 3.76Å; D617-R653 IonicContact OD1-NH1 3.07Å; D617-R653 PolarHBondContact OD1-NH1 3.32Å; D617-R653 IonicContact OD2-NH1 3.98Å; D617-R653 PolarHBondContact OD2-NH1 3.3Å
618E82.5Confident83.6Confident59 Ų5949 Ų4928%0.27623%0.232SC..Hα-helixtrans-68.2-42.9176.2-72166.4-160.400111.5Y590 L614 N615 L620 K621 S622Y590-E618 VanDerWaalsContact CD2-OE2 3.24Å; Y590-E618 WeakPolarHBondContact CD2-OE2 3.47Å; L614-E618 HydrophobicContact CB-CB 4.11Å; L614-E618 HydrophobicContact CD1-CB 4.12Å; N615-E618 PolarHBondContact ND2-OE1 3.42Å; N615-E618 PolarHBondContact O-N 3.09Å; N615-E618 VanDerWaalsContact OD1-CB 3.22Å; N615-E618 WeakPolarHBondContact OD1-CB 3.5Å; N615-E618 VanDerWaalsContact OD1-CG 3.25Å; N615-E618 WeakPolarHBondContact OD1-CG 3.3Å; N615-E618 PolarHBondContact OD1-N 3.34Å; E618-L620 VanDerWaalsContact C-N 3.29Å; E618-L620 PolarHBondContact O-N 2.83Å; E618-K621 PolarHBondContact O-N 2.9Å; E618-S622 WeakPolarHBondContact O-CB 3.47Å; E618-S622 PolarHBondContact O-N 3.48Å; E618-S622 PolarHBondContact O-OG 3.06Å; E618-S622 VanDerWaalsContact O-OG 3.06Å
619A84.8Confident83.5Confident3 Ų351.6 Ų51.63%0.02524%0.244CC..Hα-helixtrans-59.5-41.917600000111.6I611 L614 N615 I623 L645I611-A619 HydrophobicContact CG2-CB 3.88Å; L614-A619 HydrophobicContact CB-CB 4.31Å; N615-A619 VanDerWaalsContact O-CB 3.28Å; N615-A619 WeakPolarHBondContact O-CB 3.33Å; N615-A619 PolarHBondContact O-N 3.36Å; A619-I623 WeakPolarHBondContact O-CB 3.32Å; A619-I623 VanDerWaalsContact O-CG1 3.3Å; A619-I623 WeakPolarHBondContact O-CG1 3.46Å; A619-I623 PolarHBondContact O-N 3.24Å; A619-L645 HydrophobicContact CB-CD2 4.02Å
620L84.1Confident83.5Confident16 Ų1644.7 Ų44.78%0.08421%0.214CC..Hα-helixtrans-64.2-45.2176.5-177.660.3000111.7F616 D617 E618 I623 S624 I654 H658F616-L620 HydrophobicContact CE1-CD2 4.4Å; F616-L620 WeakPolarHBondContact O-CB 3.4Å; F616-L620 PolarHBondContact O-N 3.34Å; D617-L620 PolarHBondContact O-N 3.04Å; E618-L620 VanDerWaalsContact C-N 3.29Å; E618-L620 PolarHBondContact O-N 2.83Å; L620-I623 PolarHBondContact O-N 3.25Å; L620-S624 WeakPolarHBondContact O-CB 3.35Å; L620-S624 PolarHBondContact O-N 3.37Å; L620-I654 HydrophobicContact CD1-CG1 4.15Å; L620-I654 HydrophobicContact CD1-CG2 4.36Å; L620-I654 HydrophobicContact CD2-CG1 4.32Å; L620-H658 HydrophobicContact CD1-CB 4.22Å
621K83.1Confident83.5Confident104 Ų10443.7 Ų43.745%0.45221%0.21SC..Hα-helixtrans-62.3-46.5177.8-174.9171.2172.3-1620111.5I591 D617 E618 I623 S624 E625I591-K621 HydrophobicContact CD1-CD 3.54Å; I591-K621 VanDerWaalsContact CD1-CE 3.48Å; I591-K621 HydrophobicContact CD1-CG 4.06Å; D617-K621 PolarHBondContact O-N 3.47Å; E618-K621 PolarHBondContact O-N 2.9Å; K621-I623 VanDerWaalsContact C-N 3.34Å; K621-I623 PolarHBondContact O-N 2.96Å; K621-S624 WeakPolarHBondContact O-CB 3.23Å; K621-S624 PolarHBondContact O-N 3.3Å; K621-S624 VanDerWaalsContact O-N 3.08Å; K621-S624 PolarHBondContact O-OG 3Å; K621-E625 WeakPolarHBondContact CE-OE1 3.34Å; K621-E625 PolarHBondContact O-N 3.04Å; K621-E625 VanDerWaalsContact O-N 3.1Å
622S83.1Confident83.3Confident0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-61.1-39.8177.8-62.40000113.2I594 E618 S624 E625 Y626I594-S622 WeakPolarHBondContact CD1-OG 3.14Å; E618-S622 WeakPolarHBondContact O-CB 3.47Å; E618-S622 PolarHBondContact O-N 3.48Å; E618-S622 PolarHBondContact O-OG 3.06Å; E618-S622 VanDerWaalsContact O-OG 3.06Å; S622-S624 VanDerWaalsContact C-N 3.33Å; S622-E625 PolarHBondContact O-N 3Å; S622-Y626 PolarHBondContact O-N 3.36Å
623I85.4Confident83.2Confident3 Ų350.3 Ų50.32%0.01524%0.241CC..Hα-helixtrans-68.5-34.7174.5-72.6172.9000111.3I611 A619 L620 K621 E625 G627 L641 L642 L645 V662I611-I623 HydrophobicContact CG2-CD1 4.37Å; I611-I623 HydrophobicContact CG2-CG1 4.27Å; A619-I623 WeakPolarHBondContact O-CB 3.32Å; A619-I623 VanDerWaalsContact O-CG1 3.3Å; A619-I623 WeakPolarHBondContact O-CG1 3.46Å; A619-I623 PolarHBondContact O-N 3.24Å; L620-I623 PolarHBondContact O-N 3.25Å; K621-I623 VanDerWaalsContact C-N 3.34Å; K621-I623 PolarHBondContact O-N 2.96Å; I623-E625 VanDerWaalsContact C-N 3.29Å; I623-E625 PolarHBondContact O-N 2.87Å; I623-G627 WeakPolarHBondContact O-CA 3.42Å; I623-G627 PolarHBondContact O-N 3.37Å; I623-L641 HydrophobicContact CD1-CD2 3.54Å; I623-L641 HydrophobicContact CD1-CG 3.71Å; I623-L641 HydrophobicContact CG1-CD2 4.03Å; I623-L642 HydrophobicContact CD1-CD2 4.33Å; I623-L642 HydrophobicContact CG2-CD2 3.81Å; I623-L645 HydrophobicContact CD1-CD1 3.16Å; I623-L645 HydrophobicContact CD1-CG 4.46Å; I623-V662 HydrophobicContact CG2-CG2 3.51Å
624S82.8Confident83.2Confident18 Ų1842.3 Ų42.313%0.12621%0.208CC..Hα-helixtrans-66.6-31.8177.882.50000113.1L620 K621 S622L620-S624 WeakPolarHBondContact O-CB 3.35Å; L620-S624 PolarHBondContact O-N 3.37Å; K621-S624 WeakPolarHBondContact O-CB 3.23Å; K621-S624 PolarHBondContact O-N 3.3Å; K621-S624 VanDerWaalsContact O-N 3.08Å; K621-S624 PolarHBondContact O-OG 3Å; S622-S624 VanDerWaalsContact C-N 3.33Å
625E81.8Confident83.2Confident92 Ų9243.9 Ų43.943%0.4322%0.22SC..Hα-helixtrans-86.8-44.9-179.9-70.7178.3-172.400111.9I591 K621 S622 I623I591-E625 WeakPolarHBondContact CG2-OE2 3.27Å; K621-E625 WeakPolarHBondContact CE-OE1 3.34Å; K621-E625 PolarHBondContact O-N 3.04Å; K621-E625 VanDerWaalsContact O-N 3.1Å; S622-E625 PolarHBondContact O-N 3Å; I623-E625 VanDerWaalsContact C-N 3.29Å; I623-E625 PolarHBondContact O-N 2.87Å
626Y83.3Confident83.1Confident27 Ų2746 Ų4611%0.10623%0.228CC..Hα-helixtrans-111-0.7-172.2-59.2-70.6000114.9I591 I594 G595 I598 E599 S622 H628 Q629 L630I591-Y626 HydrophobicContact CG2-CE2 4.18Å; I594-Y626 HydrophobicContact CB-CD2 4.4Å; I594-Y626 HydrophobicContact CB-CE2 4.43Å; I594-Y626 HydrophobicContact CG2-CD2 3.59Å; I594-Y626 HydrophobicContact CG2-CE2 4.07Å; I594-Y626 HydrophobicContact CG2-CG 4.17Å; G595-Y626 VanDerWaalsContact CA-OH 3.24Å; G595-Y626 WeakPolarHBondContact CA-OH 3.44Å; I598-Y626 VanDerWaalsContact CD1-CB 3.48Å; I598-Y626 HydrophobicContact CD1-CD1 4.29Å; I598-Y626 HydrophobicContact CD1-CG 3.86Å; E599-Y626 HydrophobicContact CG-CE1 4.46Å; S622-Y626 PolarHBondContact O-N 3.36Å; Y626-H628 VanDerWaalsContact C-N 3.29Å; Y626-H628 PolarHBondContact O-N 3.36Å; Y626-Q629 PolarHBondContact O-N 2.67Å; Y626-L630 PolarHBondContact O-N 2.93Å
627G83.2Confident83.2Confident0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-59-35.7-173.800000114.4I623 Q629 L630 I631I623-G627 WeakPolarHBondContact O-CA 3.42Å; I623-G627 PolarHBondContact O-N 3.37Å; G627-Q629 VanDerWaalsContact C-N 3.3Å; G627-Q629 PolarHBondContact O-N 3.33Å; G627-L630 PolarHBondContact O-N 3.44Å; G627-I631 PolarHBondContact O-N 3.29Å
628H83.6Confident83.5Confident71 Ų7144.9 Ų44.933%0.32922%0.222SC..Hα-helixtrans-61.1-38.3174.9176.358.4000112.9Y626 I631 T632 V662 V664Y626-H628 VanDerWaalsContact C-N 3.29Å; Y626-H628 PolarHBondContact O-N 3.36Å; H628-I631 WeakPolarHBondContact O-CG2 3.48Å; H628-T632 WeakPolarHBondContact O-CB 3.42Å; H628-T632 PolarHBondContact O-N 3.08Å; H628-T632 PolarHBondContact O-OG1 3.34Å; H628-V662 VanDerWaalsContact CA-O 3.29Å; H628-V662 WeakPolarHBondContact CA-O 3.36Å; H628-V664 PolarHBondContact CE1-O 3.45Å; H628-V664 PolarHBondContact ND1-O 3.16Å
629Q82.2Confident83.6Confident59 Ų5944 Ų4428%0.27622%0.219SC..Hα-helixtrans-74.1-38.1177.9-56.2-171.839.100110.8I598 Y626 G627 T632 R633I598-Q629 HydrophobicContact CG2-CB 3.83Å; I598-Q629 HydrophobicContact CG2-CG 4.45Å; Y626-Q629 PolarHBondContact O-N 2.67Å; G627-Q629 VanDerWaalsContact C-N 3.3Å; G627-Q629 PolarHBondContact O-N 3.33Å; Q629-T632 PolarHBondContact O-N 3.29Å; Q629-R633 WeakPolarHBondContact O-CB 3.36Å; Q629-R633 WeakPolarHBondContact O-CG 3.5Å; Q629-R633 PolarHBondContact O-N 3.45Å; Q629-R633 VanDerWaalsContact O-N 3.13Å
630L84.4Confident83.6Confident0 Ų049.7 Ų49.70%024%0.243CC..Hα-helixtrans-67.1-45178.5-69.2175.1000112.5I598 A607 L608 I611 Y626 G627 T632 R633 C634 T638I598-L630 HydrophobicContact CD1-CD1 4.18Å; I598-L630 HydrophobicContact CD1-CD2 3.67Å; I598-L630 HydrophobicContact CD1-CG 3.87Å; I598-L630 HydrophobicContact CG1-CD2 4.22Å; A607-L630 HydrophobicContact CB-CD2 4.37Å; L608-L630 HydrophobicContact CD2-CD1 3.95Å; L608-L630 HydrophobicContact CD2-CD2 4.25Å; L608-L630 HydrophobicContact CD2-CG 4.49Å; L608-L630 HydrophobicContact CG-CD2 3.99Å; I611-L630 HydrophobicContact CD1-CD1 3.6Å; Y626-L630 PolarHBondContact O-N 2.93Å; G627-L630 PolarHBondContact O-N 3.44Å; L630-T632 VanDerWaalsContact C-N 3.27Å; L630-T632 PolarHBondContact O-N 3.45Å; L630-R633 PolarHBondContact O-N 3.38Å; L630-C634 CarbonylContact O-C 3.59Å; L630-C634 WeakPolarHBondContact O-CA 3.28Å; L630-C634 PolarHBondContact O-N 3.29Å; L630-T638 VanDerWaalsContact C-OG1 3.26Å; L630-T638 HydrophobicContact CB-CG2 4.11Å; L630-T638 PolarHBondContact O-OG1 2.61Å
631I83.5Confident83.6Confident16 Ų1649.1 Ų49.18%0.08224%0.24CC..Hα-helixtrans-65.1-34.7178.7-159.973.7000111.4G627 H628 P635 T638 I639 V662 F663G627-I631 PolarHBondContact O-N 3.29Å; H628-I631 WeakPolarHBondContact O-CG2 3.48Å; I631-P635 WeakPolarHBondContact O-CA 3.42Å; I631-P635 WeakPolarHBondContact O-CB 3.46Å; I631-T638 HydrophobicContact CB-CG2 4.3Å; I631-T638 HydrophobicContact CD1-CG2 3.91Å; I631-I639 HydrophobicContact CD1-CD1 4.41Å; I631-I639 HydrophobicContact CD1-CG1 3.87Å; I631-V662 HydrophobicContact CB-CG1 4.26Å; I631-V662 WeakPolarHBondContact CG2-O 3.28Å; I631-F663 HydrophobicContact CD1-CE1 3.81Å; I631-F663 HydrophobicContact CD1-CZ 4.11Å; I631-F663 HydrophobicContact CG1-CD1 4.25Å; I631-F663 HydrophobicContact CG1-CE1 3.93Å
632T81.1Confident83.6Confident98 Ų9844.3 Ų44.360%0.60122%0.219SC*.Hα-helixtrans-69.6-36.5178.5-57.50000111.8H628 Q629 L630H628-T632 WeakPolarHBondContact O-CB 3.42Å; H628-T632 PolarHBondContact O-N 3.08Å; H628-T632 PolarHBondContact O-OG1 3.34Å; Q629-T632 PolarHBondContact O-N 3.29Å; L630-T632 VanDerWaalsContact C-N 3.27Å; L630-T632 PolarHBondContact O-N 3.45Å
633R82.4Confident83.5Confident102 Ų10246 Ų4639%0.38523%0.229SC..Hα-helixtrans-92.7-37.2-175.9-67.9178.5-179.2177.12.7113.9I598 S602 Q629 L630I598-R633 PolarHBondContact O-NH1 3.19Å; I598-R633 PolarHBondContact O-NH2 3.04Å; S602-R633 VanDerWaalsContact CA-NH1 3.32Å; Q629-R633 WeakPolarHBondContact O-CB 3.36Å; Q629-R633 WeakPolarHBondContact O-CG 3.5Å; Q629-R633 PolarHBondContact O-N 3.45Å; Q629-R633 VanDerWaalsContact O-N 3.13Å; L630-R633 PolarHBondContact O-N 3.38Å
634C84.2Confident83.4Confident19 Ų1951.4 Ų51.413%0.12825%0.252CS..  trans-140.368.9-173.2-65.70000109.9L608 L630 E636 T638L608-C634 HydrophobicContact CD1-CB 3.68Å; L630-C634 CarbonylContact O-C 3.59Å; L630-C634 WeakPolarHBondContact O-CA 3.28Å; L630-C634 PolarHBondContact O-N 3.29Å; C634-E636 PolarHBondContact O-N 3.11Å; C634-T638 VanDerWaalsContact O-CB 3.29Å; C634-T638 WeakPolarHBondContact O-CB 3.36Å; C634-T638 PolarHBondContact O-N 3.43Å; C634-T638 PolarHBondContact O-OG1 3.03Å
635P82.6Confident83.3Confident60 Ų6051.2 Ų51.239%0.3925%0.249SC..Hα-helixtrans-61-48.8-172.421.7-32.2000112.5I631 D637 T638 I639I631-P635 WeakPolarHBondContact O-CA 3.42Å; I631-P635 WeakPolarHBondContact O-CB 3.46Å; P635-D637 PolarHBondContact O-N 2.86Å; P635-T638 PolarHBondContact O-N 2.99Å; P635-I639 WeakPolarHBondContact O-CB 3.49Å; P635-I639 VanDerWaalsContact O-CG1 3.23Å; P635-I639 WeakPolarHBondContact O-CG1 3.3Å; P635-I639 PolarHBondContact O-N 2.65Å
636E82.7Confident83Confident126 Ų12647.8 Ų47.859%0.58924%0.235SC*.Hα-helixtrans-60-47.2-177.9-67-60.5146.200112.9C634 T638 I639 K640C634-E636 PolarHBondContact O-N 3.11Å; E636-T638 VanDerWaalsContact C-N 3.35Å; E636-I639 PolarHBondContact O-N 3.03Å; E636-K640 VanDerWaalsContact O-CG 3.3Å; E636-K640 WeakPolarHBondContact O-CG 3.43Å; E636-K640 PolarHBondContact O-N 3.41Å
637D85.5Confident82.7Confident69 Ų6950.5 Ų50.537%0.36926%0.263SS..Hα-helixtrans-72.7-31.8-178.5-65.7-31.3000111.5L608 P635 K640 L641L608-D637 HydrophobicContact CD1-CB 3.63Å; P635-D637 PolarHBondContact O-N 2.86Å; D637-K640 IonicContact OD1-NZ 2.61Å; D637-L641 WeakPolarHBondContact O-CB 3.38Å; D637-L641 PolarHBondContact O-N 2.9Å
638T86.6Confident82.4Confident0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-69.3-42.8173.8-54.20000111.1L630 I631 C634 P635 E636 L641 L642L630-T638 VanDerWaalsContact C-OG1 3.26Å; L630-T638 HydrophobicContact CB-CG2 4.11Å; L630-T638 PolarHBondContact O-OG1 2.61Å; I631-T638 HydrophobicContact CB-CG2 4.3Å; I631-T638 HydrophobicContact CD1-CG2 3.91Å; C634-T638 VanDerWaalsContact O-CB 3.29Å; C634-T638 WeakPolarHBondContact O-CB 3.36Å; C634-T638 PolarHBondContact O-N 3.43Å; C634-T638 PolarHBondContact O-OG1 3.03Å; P635-T638 PolarHBondContact O-N 2.99Å; E636-T638 VanDerWaalsContact C-N 3.35Å; T638-L641 WeakPolarHBondContact O-CB 3.42Å; T638-L641 PolarHBondContact O-N 3.48Å; T638-L642 WeakPolarHBondContact O-CG 3.21Å; T638-L642 PolarHBondContact O-N 3.36Å
639I84.7Confident81.8Confident40 Ų4055 Ų5521%0.20529%0.293CS..Hα-helixtrans-62.7-44.2176.1-69.1164.9000110.3I631 P635 E636 L641 L642 D643I631-I639 HydrophobicContact CD1-CD1 4.41Å; I631-I639 HydrophobicContact CD1-CG1 3.87Å; P635-I639 WeakPolarHBondContact O-CB 3.49Å; P635-I639 VanDerWaalsContact O-CG1 3.23Å; P635-I639 WeakPolarHBondContact O-CG1 3.3Å; P635-I639 PolarHBondContact O-N 2.65Å; E636-I639 PolarHBondContact O-N 3.03Å; I639-L641 VanDerWaalsContact C-N 3.26Å; I639-L641 PolarHBondContact O-N 3.29Å; I639-L642 WeakPolarHBondContact O-CB 3.13Å; I639-L642 PolarHBondContact O-N 3.34Å; I639-L642 VanDerWaalsContact O-N 3.15Å; I639-D643 VanDerWaalsContact O-CG 3.26Å; I639-D643 PolarHBondContact O-N 2.87Å
640K84.6Confident81.4Confident124 Ų12455.1 Ų55.154%0.53930%0.295SS..Hα-helixtrans-59.5-37.8174.6-73.2171.2-171.6167.90112.7E636 D637 K644E636-K640 VanDerWaalsContact O-CG 3.3Å; E636-K640 WeakPolarHBondContact O-CG 3.43Å; E636-K640 PolarHBondContact O-N 3.41Å; D637-K640 IonicContact OD1-NZ 2.61Å; K640-K644 WeakPolarHBondContact O-CB 3.49Å; K640-K644 PolarHBondContact O-N 3.49Å
641L84.8Confident80.6Confident4 Ų455.5 Ų55.52%0.02130%0.298CS..Hα-helixtrans-67.4-43.2175.1174.664.5000111.4L608 I611 N612 I623 D637 T638 I639 K644 L645L608-L641 HydrophobicContact CD2-CD2 3.52Å; I611-L641 HydrophobicContact CB-CD2 4.18Å; I611-L641 HydrophobicContact CG2-CD1 4.2Å; I611-L641 HydrophobicContact CG2-CD2 3.65Å; I611-L641 HydrophobicContact CG2-CG 4.49Å; N612-L641 WeakPolarHBondContact OD1-CD1 3.35Å; I623-L641 HydrophobicContact CD1-CD2 3.54Å; I623-L641 HydrophobicContact CD1-CG 3.71Å; I623-L641 HydrophobicContact CG1-CD2 4.03Å; D637-L641 WeakPolarHBondContact O-CB 3.38Å; D637-L641 PolarHBondContact O-N 2.9Å; T638-L641 WeakPolarHBondContact O-CB 3.42Å; T638-L641 PolarHBondContact O-N 3.48Å; I639-L641 VanDerWaalsContact C-N 3.26Å; I639-L641 PolarHBondContact O-N 3.29Å; L641-K644 WeakPolarHBondContact O-CB 3.48Å; L641-K644 PolarHBondContact O-N 3.25Å; L641-L645 WeakPolarHBondContact O-CG 3.41Å; L641-L645 PolarHBondContact O-N 3.18Å
642L83Confident79.9Confident3 Ų357.2 Ų57.22%0.01631%0.312CS..Hα-helixtrans-61-45.5174.3-68.3173.8000111.1I623 T638 I639 K644 L645 C646 F659 V662 F663 F673I623-L642 HydrophobicContact CD1-CD2 4.33Å; I623-L642 HydrophobicContact CG2-CD2 3.81Å; T638-L642 WeakPolarHBondContact O-CG 3.21Å; T638-L642 PolarHBondContact O-N 3.36Å; I639-L642 WeakPolarHBondContact O-CB 3.13Å; I639-L642 PolarHBondContact O-N 3.34Å; I639-L642 VanDerWaalsContact O-N 3.15Å; L642-K644 VanDerWaalsContact C-N 3.29Å; L642-K644 PolarHBondContact O-N 3.41Å; L642-L645 PolarHBondContact O-N 2.92Å; L642-L645 VanDerWaalsContact O-N 3.16Å; L642-C646 VanDerWaalsContact O-CB 3.31Å; L642-C646 WeakPolarHBondContact O-CB 3.31Å; L642-C646 PolarHBondContact O-N 2.88Å; L642-C646 PolarHBondContact O-SG 3.27Å; L642-F659 HydrophobicContact CD2-CD1 4.46Å; L642-F659 HydrophobicContact CD2-CE1 4.29Å; L642-V662 HydrophobicContact CD1-CG1 4.26Å; L642-F663 HydrophobicContact CD1-CE2 3.76Å; L642-F663 HydrophobicContact CD1-CZ 3.82Å; L642-F673 HydrophobicContact CB-CE2 3.61Å; L642-F673 HydrophobicContact CB-CZ 3.67Å; L642-F673 HydrophobicContact CD1-CD2 4.39Å; L642-F673 HydrophobicContact CD1-CE2 4Å; L642-F673 HydrophobicContact CD1-CZ 4.12Å; L642-F673 HydrophobicContact CG-CE2 4.46Å; L642-F673 HydrophobicContact CG-CZ 4.44Å
643D82Confident79.4Confident36 Ų3658.7 Ų58.719%0.19331%0.306CS..Hα-helixtrans-56.6-43.5175.5-69.9-24.6000111I639 C646 A647 R676I639-D643 VanDerWaalsContact O-CG 3.26Å; I639-D643 PolarHBondContact O-N 2.87Å; D643-C646 WeakPolarHBondContact O-CB 3.26Å; D643-C646 PolarHBondContact O-N 3.48Å; D643-A647 WeakPolarHBondContact O-CB 3.24Å; D643-A647 PolarHBondContact O-N 3.37Å; D643-R676 IonicContact OD1-CZ 2.93Å; D643-R676 IonicContact OD1-NH1 3.54Å; D643-R676 IonicContact OD1-NH2 2.95Å; D643-R676 IonicContact OD2-CZ 3.41Å; D643-R676 IonicContact OD2-NH1 2.61Å; D643-R676 PolarHBondContact OD2-NH1 2.89Å; D643-R676 IonicContact OD2-NH2 3.21Å; D643-R676 PolarHBondContact OD2-NH2 3.38Å
644K81.6Confident79Confident116 Ų11654.3 Ų54.350%0.50429%0.29SS..Hα-helixtrans-63.8-40.7177.4-174.8-175.1175-167.40112.4N612 K640 L641 L642 A647 H648N612-K644 PolarHBondContact O-NZ 2.94Å; N612-K644 VanDerWaalsContact O-NZ 3.15Å; N612-K644 PolarHBondContact OD1-NZ 3.24Å; K640-K644 WeakPolarHBondContact O-CB 3.49Å; K640-K644 PolarHBondContact O-N 3.49Å; L641-K644 WeakPolarHBondContact O-CB 3.48Å; L641-K644 PolarHBondContact O-N 3.25Å; L642-K644 VanDerWaalsContact C-N 3.29Å; L642-K644 PolarHBondContact O-N 3.41Å; K644-A647 PolarHBondContact O-N 3.16Å; K644-H648 PolarHBondContact O-N 3.01Å
645L80.8Confident78.5Confident14 Ų1456.7 Ų56.77%0.07330%0.302CS..Hα-helixtrans-68.4-39.6176-71.3175.9000111.7F616 A619 I623 L641 L642 A647 H648 I654F616-L645 HydrophobicContact CD2-CD2 3.69Å; F616-L645 HydrophobicContact CE2-CB 4.29Å; F616-L645 HydrophobicContact CE2-CD2 3.92Å; F616-L645 WeakPolarHBondContact CE2-O 3.46Å; A619-L645 HydrophobicContact CB-CD2 4.02Å; I623-L645 HydrophobicContact CD1-CD1 3.16Å; I623-L645 HydrophobicContact CD1-CG 4.46Å; L641-L645 WeakPolarHBondContact O-CG 3.41Å; L641-L645 PolarHBondContact O-N 3.18Å; L642-L645 PolarHBondContact O-N 2.92Å; L642-L645 VanDerWaalsContact O-N 3.16Å; L645-A647 VanDerWaalsContact C-N 3.27Å; L645-A647 PolarHBondContact O-N 2.86Å; L645-H648 VanDerWaalsContact O-CB 3.25Å; L645-H648 WeakPolarHBondContact O-CB 3.33Å; L645-H648 PolarHBondContact O-N 3.26Å; L645-H648 VanDerWaalsContact O-N 3.13Å; L645-I654 HydrophobicContact CB-CD1 4.04Å
646C76.8Confident78.1Confident19 Ų1954.5 Ų54.513%0.12829%0.287CS..Hα-helixtrans-63.5-33.4175.8-70.40000112.5L642 D643 H648 A651 Y677L642-C646 VanDerWaalsContact O-CB 3.31Å; L642-C646 WeakPolarHBondContact O-CB 3.31Å; L642-C646 PolarHBondContact O-N 2.88Å; L642-C646 PolarHBondContact O-SG 3.27Å; D643-C646 WeakPolarHBondContact O-CB 3.26Å; D643-C646 PolarHBondContact O-N 3.48Å; C646-H648 VanDerWaalsContact C-N 3.34Å; C646-A651 VanDerWaalsContact O-CB 3.29Å; C646-A651 WeakPolarHBondContact O-CB 3.47Å; C646-Y677 HydrophobicContact CB-CD2 3.52Å; C646-Y677 HydrophobicContact CB-CE2 3.38Å; C646-Y677 WeakPolarHBondContact SG-CD2 3.22Å; C646-Y677 WeakPolarHBondContact SG-CE2 3.35Å
647A76.1Confident77.8Confident84 Ų8454.7 Ų54.769%0.69429%0.288SS*.THydrogen-bonded Turntrans-82.9-5.4175.500000114.1D643 K644 L645D643-A647 WeakPolarHBondContact O-CB 3.24Å; D643-A647 PolarHBondContact O-N 3.37Å; K644-A647 PolarHBondContact O-N 3.16Å; L645-A647 VanDerWaalsContact C-N 3.27Å; L645-A647 PolarHBondContact O-N 2.86Å
648H76.6Confident77.4Confident72 Ų7253.1 Ų53.133%0.33328%0.278SS..SBendtrans-72.6145.4-177.6-163.3-94.8000111.1F616 K644 L645 C646 D650 A651F616-H648 HydrophobicContact CD2-CB 3.7Å; F616-H648 AromaticContact CD2-CG 3.52Å; F616-H648 AromaticContact CD2-ND1 3.39Å; F616-H648 WeakPolarHBondContact CD2-ND1 3.3Å; F616-H648 HydrophobicContact CE2-CB 3.73Å; F616-H648 AromaticContact CG-ND1 3.68Å; K644-H648 PolarHBondContact O-N 3.01Å; L645-H648 VanDerWaalsContact O-CB 3.25Å; L645-H648 WeakPolarHBondContact O-CB 3.33Å; L645-H648 PolarHBondContact O-N 3.26Å; L645-H648 VanDerWaalsContact O-N 3.13Å; C646-H648 VanDerWaalsContact C-N 3.34Å; H648-D650 IonicContact CE1-OD2 2.69Å; H648-D650 PolarHBondContact CE1-OD2 2.89Å; H648-D650 PolarHBondContact ND1-N 2.96Å; H648-D650 IonicContact ND1-OD2 2.99Å; H648-D650 PolarHBondContact O-N 2.89Å; H648-D650 VanDerWaalsContact O-N 3.12Å; H648-A651 WeakPolarHBondContact O-CB 3.4Å; H648-A651 PolarHBondContact O-N 3.41Å
649P72.3Confident77.1Confident95 Ų9553.4 Ų53.462%0.61728%0.279SS*.THydrogen-bonded Turntrans-56-30.6177.618-31.9000114.1A651P649-A651 VanDerWaalsContact C-N 3.31Å; P649-A651 PolarHBondContact O-N 3.28Å
650D72.5Confident76.8Confident60 Ų6055 Ų5532%0.32129%0.288SS..THydrogen-bonded Turntrans-85.68176.7-62.1-46.9000114.3F616 H648 S652 R653F616-D650 HydrophobicContact CD1-CB 3.59Å; F616-D650 HydrophobicContact CD2-CB 4.45Å; F616-D650 HydrophobicContact CE1-CB 3.71Å; F616-D650 WeakPolarHBondContact CE1-O 3.32Å; F616-D650 HydrophobicContact CG-CB 3.97Å; F616-D650 HydrophobicContact CZ-CB 4.2Å; F616-D650 VanDerWaalsContact CZ-O 3.26Å; F616-D650 WeakPolarHBondContact CZ-O 3.16Å; H648-D650 IonicContact CE1-OD2 2.69Å; H648-D650 PolarHBondContact CE1-OD2 2.89Å; H648-D650 PolarHBondContact ND1-N 2.96Å; H648-D650 IonicContact ND1-OD2 2.99Å; H648-D650 PolarHBondContact O-N 2.89Å; H648-D650 VanDerWaalsContact O-N 3.12Å; D650-S652 PolarHBondContact O-N 3.35Å; D650-S652 PolarHBondContact O-OG 3.13Å; D650-R653 PolarHBondContact O-N 3.3Å
651A69.1Low76.6Confident9 Ų954.6 Ų54.67%0.07429%0.287CS..G310 helixtrans-49.4-20.2178.800000114C646 H648 P649 R653 I654C646-A651 VanDerWaalsContact O-CB 3.29Å; C646-A651 WeakPolarHBondContact O-CB 3.47Å; H648-A651 WeakPolarHBondContact O-CB 3.4Å; H648-A651 PolarHBondContact O-N 3.41Å; P649-A651 VanDerWaalsContact C-N 3.31Å; P649-A651 PolarHBondContact O-N 3.28Å; A651-R653 PolarHBondContact O-N 3.06Å; A651-R653 VanDerWaalsContact O-N 3.07Å; A651-I654 HydrophobicContact CB-CD1 4.33Å; A651-I654 WeakPolarHBondContact O-CB 3.45Å; A651-I654 WeakPolarHBondContact O-CG1 3.5Å; A651-I654 PolarHBondContact O-N 3.1Å
652S67.2Low76.5Confident52 Ų5254.4 Ų54.436%0.36429%0.286SS..G310 helixtrans-44.5-31166.166.30000118D650 I654 L686D650-S652 PolarHBondContact O-N 3.35Å; D650-S652 PolarHBondContact O-OG 3.13Å; S652-I654 VanDerWaalsContact C-N 3.28Å; S652-L686 VanDerWaalsContact CA-CG 3.49Å; S652-L686 WeakPolarHBondContact O-CD2 3.37Å
653R71.9Confident76.4Confident129 Ų12954.8 Ų54.849%0.48729%0.287SS..G310 helixtrans-86.2-8.3-176.6-50176.5-176.2-178.30.5111.8F616 D617 D650 A651 N655F616-R653 HydrophobicContact CE1-CB 4.13Å; D617-R653 IonicContact OD1-CZ 3.76Å; D617-R653 IonicContact OD1-NH1 3.07Å; D617-R653 PolarHBondContact OD1-NH1 3.32Å; D617-R653 IonicContact OD2-NH1 3.98Å; D617-R653 PolarHBondContact OD2-NH1 3.3Å; D650-R653 PolarHBondContact O-N 3.3Å; A651-R653 PolarHBondContact O-N 3.06Å; A651-R653 VanDerWaalsContact O-N 3.07Å; R653-N655 PolarHBondContact O-N 3.12Å; R653-N655 VanDerWaalsContact O-N 3.17Å
654I73.2Confident76Confident10 Ų1056 Ų565%0.05130%0.296CS..  trans-77.8103.9179.5-51.1176.5000109.1F616 L620 L645 A651 S652 F659F616-I654 HydrophobicContact CE2-CD1 4.06Å; F616-I654 HydrophobicContact CE2-CG1 4.36Å; F616-I654 HydrophobicContact CZ-CD1 3.85Å; F616-I654 HydrophobicContact CZ-CG1 3.66Å; L620-I654 HydrophobicContact CD1-CG1 4.15Å; L620-I654 HydrophobicContact CD1-CG2 4.36Å; L620-I654 HydrophobicContact CD2-CG1 4.32Å; L645-I654 HydrophobicContact CB-CD1 4.04Å; A651-I654 HydrophobicContact CB-CD1 4.33Å; A651-I654 WeakPolarHBondContact O-CB 3.45Å; A651-I654 WeakPolarHBondContact O-CG1 3.5Å; A651-I654 PolarHBondContact O-N 3.1Å; S652-I654 VanDerWaalsContact C-N 3.28Å; I654-F659 HydrophobicContact CG2-CD2 4.47Å; I654-F659 HydrophobicContact CG2-CE1 3.98Å; I654-F659 HydrophobicContact CG2-CE2 3.63Å; I654-F659 HydrophobicContact CG2-CZ 3.34Å
655N74.3Confident75.6Confident69 Ų6957.6 Ų57.637%0.36931%0.31SS..  trans-86.1165.116875.933.4000112.1R653 Q657 H658R653-N655 PolarHBondContact O-N 3.12Å; R653-N655 VanDerWaalsContact O-N 3.17Å; N655-Q657 VanDerWaalsContact C-N 3.28Å; N655-Q657 PolarHBondContact O-N 2.73Å; N655-Q657 WeakPolarHBondContact OD1-CA 3.41Å; N655-Q657 VanDerWaalsContact OD1-CB 3.27Å; N655-Q657 WeakPolarHBondContact OD1-CB 3.23Å; N655-Q657 PolarHBondContact OD1-N 2.87Å; N655-H658 PolarHBondContact N-ND1 2.64Å; N655-H658 VanDerWaalsContact N-ND1 3.13Å; N655-H658 PolarHBondContact ND2-CE1 3.39Å; N655-H658 VanDerWaalsContact ND2-CE1 3.28Å; N655-H658 WeakPolarHBondContact O-CB 3.49Å; N655-H658 PolarHBondContact O-N 2.86Å; N655-H658 PolarHBondContact O-ND1 3.33Å; N655-H658 VanDerWaalsContact O-ND1 3.16Å; N655-H658 PolarHBondContact OD1-CE1 2.89Å; N655-H658 PolarHBondContact OD1-N 3.47Å; N655-H658 PolarHBondContact OD1-ND1 3.34Å
656V73.7Confident75.6Confident13 Ų1360.3 Ų60.38%0.07932%0.324CS..Hα-helixtrans-65-29.7178.6-164.70000113.9H658 F659 L660 G689 V690 T693V656-H658 PolarHBondContact O-N 2.85Å; V656-F659 PolarHBondContact O-N 2.85Å; V656-L660 HydrophobicContact CG1-CD1 4.26Å; V656-L660 HydrophobicContact CG1-CG 4.23Å; V656-L660 PolarHBondContact O-N 3.38Å; V656-G689 VanDerWaalsContact CG2-O 3.28Å; V656-G689 WeakPolarHBondContact CG2-O 3.33Å; V656-V690 VanDerWaalsContact CG2-CA 3.45Å; V656-V690 HydrophobicContact CG2-CB 4.17Å; V656-V690 HydrophobicContact CG2-CG2 3.71Å; V656-V690 VanDerWaalsContact CG2-N 3.32Å; V656-T693 HydrophobicContact CG1-CG2 3.63Å; V656-T693 WeakPolarHBondContact CG1-OG1 3.41Å
657Q76.7Confident75.7Confident131 Ų13162.1 Ų62.161%0.61234%0.336SS*.Hα-helixtrans-61.6-29.9-179.6-58.9-176.3-10.200111.3N655 K661N655-Q657 VanDerWaalsContact C-N 3.28Å; N655-Q657 PolarHBondContact O-N 2.73Å; N655-Q657 WeakPolarHBondContact OD1-CA 3.41Å; N655-Q657 VanDerWaalsContact OD1-CB 3.27Å; N655-Q657 WeakPolarHBondContact OD1-CB 3.23Å; N655-Q657 PolarHBondContact OD1-N 2.87Å; Q657-K661 WeakPolarHBondContact O-CG 3.3Å; Q657-K661 PolarHBondContact O-N 2.98Å; Q657-K661 VanDerWaalsContact O-N 3.13Å
658H77.3Confident75.7Confident36 Ų3664 Ų6417%0.16733%0.328CS..Hα-helixtrans-61.5-47.9171.7-56109.7000111.2L620 N655 V656 K661 V662L620-H658 HydrophobicContact CD1-CB 4.22Å; N655-H658 PolarHBondContact N-ND1 2.64Å; N655-H658 VanDerWaalsContact N-ND1 3.13Å; N655-H658 PolarHBondContact ND2-CE1 3.39Å; N655-H658 VanDerWaalsContact ND2-CE1 3.28Å; N655-H658 WeakPolarHBondContact O-CB 3.49Å; N655-H658 PolarHBondContact O-N 2.86Å; N655-H658 PolarHBondContact O-ND1 3.33Å; N655-H658 VanDerWaalsContact O-ND1 3.16Å; N655-H658 PolarHBondContact OD1-CE1 2.89Å; N655-H658 PolarHBondContact OD1-N 3.47Å; N655-H658 PolarHBondContact OD1-ND1 3.34Å; V656-H658 PolarHBondContact O-N 2.85Å; H658-K661 PolarHBondContact O-N 3.18Å; H658-V662 VanDerWaalsContact O-CG2 3.29Å; H658-V662 WeakPolarHBondContact O-CG2 3.46Å; H658-V662 PolarHBondContact O-N 3.5Å
659F79.7Confident75.8Confident5 Ų561.2 Ų61.22%0.02232%0.319CS..Hα-helixtrans-67.4-38.4179-58.3-53.3000112.6L642 I654 V656 K661 V662 F663 L670 F673 L674 V690L642-F659 HydrophobicContact CD2-CD1 4.46Å; L642-F659 HydrophobicContact CD2-CE1 4.29Å; I654-F659 HydrophobicContact CG2-CD2 4.47Å; I654-F659 HydrophobicContact CG2-CE1 3.98Å; I654-F659 HydrophobicContact CG2-CE2 3.63Å; I654-F659 HydrophobicContact CG2-CZ 3.34Å; V656-F659 PolarHBondContact O-N 2.85Å; F659-K661 VanDerWaalsContact C-N 3.28Å; F659-K661 PolarHBondContact O-N 3.26Å; F659-V662 PolarHBondContact O-N 3.22Å; F659-V662 VanDerWaalsContact O-N 3.1Å; F659-F663 WeakPolarHBondContact O-CD2 3.49Å; F659-F663 PolarHBondContact O-N 3.12Å; F659-L670 HydrophobicContact CB-CD1 3.89Å; F659-F673 HydrophobicContact CD1-CD1 4.26Å; F659-F673 AromaticContact CD1-CE1 3.5Å; F659-F673 HydrophobicContact CD1-CE1 3.5Å; F659-F673 HydrophobicContact CD1-CZ 4.23Å; F659-F673 HydrophobicContact CD2-CE1 4.45Å; F659-F673 HydrophobicContact CE1-CD1 4.48Å; F659-F673 AromaticContact CE1-CE1 3.35Å; F659-F673 HydrophobicContact CE1-CE1 3.35Å; F659-F673 AromaticContact CE1-CZ 3.74Å; F659-F673 HydrophobicContact CE1-CZ 3.74Å; F659-F673 HydrophobicContact CE2-CE1 4.33Å; F659-F673 HydrophobicContact CG-CE1 4.07Å; F659-F673 AromaticContact CZ-CE1 3.78Å; F659-F673 HydrophobicContact CZ-CE1 3.78Å; F659-F673 HydrophobicContact CZ-CZ 4.24Å; F659-L674 HydrophobicContact CD2-CD2 4.11Å; F659-V690 HydrophobicContact CE2-CG2 4.34Å
660L78.5Confident76.4Confident74 Ų7456.9 Ų56.939%0.38729%0.291SS..Hα-helixtrans-60.2-38176.2-72.5169000112.2V656 V664 L670 T693V656-L660 HydrophobicContact CG1-CD1 4.26Å; V656-L660 HydrophobicContact CG1-CG 4.23Å; V656-L660 PolarHBondContact O-N 3.38Å; L660-V664 VanDerWaalsContact O-CG2 3.29Å; L660-V664 WeakPolarHBondContact O-CG2 3.22Å; L660-V664 PolarHBondContact O-N 3.49Å; L660-L670 HydrophobicContact CD2-CD2 3.58Å; L660-T693 HydrophobicContact CD1-CG2 4.42Å; L660-T693 HydrophobicContact CD2-CG2 4.31Å
661K80.8Confident76.8Confident116 Ų11655 Ų5550%0.50428%0.28SS..Hα-helixtrans-69.5-31.9174.6-73.6-178.8179.7-175.50113.2Q657 H658 F659 V664Q657-K661 WeakPolarHBondContact O-CG 3.3Å; Q657-K661 PolarHBondContact O-N 2.98Å; Q657-K661 VanDerWaalsContact O-N 3.13Å; H658-K661 PolarHBondContact O-N 3.18Å; F659-K661 VanDerWaalsContact C-N 3.28Å; F659-K661 PolarHBondContact O-N 3.26Å; K661-V664 VanDerWaalsContact O-CG2 3.24Å; K661-V664 WeakPolarHBondContact O-CG2 3.48Å
662V81.9Confident77.3Confident0 Ų061.4 Ų61.40%031%0.309CS..Hα-helixtrans-72.8-49.4177.8177.40000110.5I623 H628 I631 L642 H658 F659 V664I623-V662 HydrophobicContact CG2-CG2 3.51Å; H628-V662 VanDerWaalsContact CA-O 3.29Å; H628-V662 WeakPolarHBondContact CA-O 3.36Å; I631-V662 HydrophobicContact CB-CG1 4.26Å; I631-V662 WeakPolarHBondContact CG2-O 3.28Å; L642-V662 HydrophobicContact CD1-CG1 4.26Å; H658-V662 VanDerWaalsContact O-CG2 3.29Å; H658-V662 WeakPolarHBondContact O-CG2 3.46Å; H658-V662 PolarHBondContact O-N 3.5Å; F659-V662 PolarHBondContact O-N 3.22Å; F659-V662 VanDerWaalsContact O-N 3.1Å; V662-V664 VanDerWaalsContact C-N 3.27Å; V662-V664 PolarHBondContact O-N 3.2Å
663F80.9Confident78Confident10 Ų1059.4 Ų59.44%0.04429%0.293CS..THydrogen-bonded Turntrans-92.430.8-174.7-65.8-86000113.4I631 L642 F659 N665 N666 L670 F673I631-F663 HydrophobicContact CD1-CE1 3.81Å; I631-F663 HydrophobicContact CD1-CZ 4.11Å; I631-F663 HydrophobicContact CG1-CD1 4.25Å; I631-F663 HydrophobicContact CG1-CE1 3.93Å; L642-F663 HydrophobicContact CD1-CE2 3.76Å; L642-F663 HydrophobicContact CD1-CZ 3.82Å; F659-F663 WeakPolarHBondContact O-CD2 3.49Å; F659-F663 PolarHBondContact O-N 3.12Å; F663-N665 PolarHBondContact O-N 3.24Å; F663-N666 PolarHBondContact O-N 2.92Å; F663-L670 HydrophobicContact CB-CB 3.74Å; F663-L670 HydrophobicContact CB-CD1 4.16Å; F663-L670 HydrophobicContact CB-CG 4.37Å; F663-L670 HydrophobicContact CD2-CB 4.44Å; F663-L670 HydrophobicContact CD2-CD1 3.69Å; F663-L670 HydrophobicContact CE2-CD1 4.4Å; F663-L670 HydrophobicContact CG-CB 4.04Å; F663-L670 HydrophobicContact CG-CD1 4.14Å; F663-F673 HydrophobicContact CE1-CB 4.49Å; F663-F673 HydrophobicContact CE2-CB 4.13Å; F663-F673 AromaticContact CE2-CD1 3.86Å; F663-F673 HydrophobicContact CE2-CD1 3.86Å; F663-F673 AromaticContact CE2-CG 3.88Å; F663-F673 HydrophobicContact CE2-CG 3.88Å; F663-F673 HydrophobicContact CZ-CB 3.83Å; F663-F673 HydrophobicContact CZ-CD1 4.29Å; F663-F673 HydrophobicContact CZ-CD2 4.22Å; F663-F673 AromaticContact CZ-CG 3.82Å; F663-F673 HydrophobicContact CZ-CG 3.82Å
664V74.5Confident78.5Confident63 Ų6353.2 Ų53.238%0.38227%0.27SS..THydrogen-bonded Turntrans-53.3126.8174.61740000109.2H628 L660 K661 V662 N666H628-V664 PolarHBondContact CE1-O 3.45Å; H628-V664 PolarHBondContact ND1-O 3.16Å; L660-V664 VanDerWaalsContact O-CG2 3.29Å; L660-V664 WeakPolarHBondContact O-CG2 3.22Å; L660-V664 PolarHBondContact O-N 3.49Å; K661-V664 VanDerWaalsContact O-CG2 3.24Å; K661-V664 WeakPolarHBondContact O-CG2 3.48Å; V662-V664 VanDerWaalsContact C-N 3.27Å; V662-V664 PolarHBondContact O-N 3.2Å; V664-N666 VanDerWaalsContact C-N 3.29Å; V664-N666 PolarHBondContact O-N 2.89Å
665N72.9Confident78.9Confident148 Ų14855.4 Ų55.479%0.79128%0.282SS*.THydrogen-bonded Turntrans6712.2-175.5-54.9-32.2000116.6F663F663-N665 PolarHBondContact O-N 3.24Å
666N80.6Confident79.1Confident72 Ų7258 Ų5839%0.38529%0.286SS..  trans-130.471.1174.8-169.1-2.2000112.2F663 V664 K668 G669 L670F663-N666 PolarHBondContact O-N 2.92Å; V664-N666 VanDerWaalsContact C-N 3.29Å; V664-N666 PolarHBondContact O-N 2.89Å; N666-K668 VanDerWaalsContact C-N 3.33Å; N666-K668 PolarHBondContact O-N 3.37Å; N666-G669 PolarHBondContact O-N 3.21Å; N666-G669 PolarHBondContact OD1-N 3.16Å; N666-L670 PolarHBondContact O-N 3.42Å
667P78.1Confident79.3Confident57 Ų5757.7 Ų57.737%0.3728%0.284SS..Hα-helixtrans-65.5-34.1-177.926.7-34.3000112.6L670 M671P667-L670 PolarHBondContact O-N 3.32Å; P667-M671 WeakPolarHBondContact O-CB 3.5Å; P667-M671 VanDerWaalsContact O-CG 3.25Å; P667-M671 WeakPolarHBondContact O-CG 3.41Å; P667-M671 PolarHBondContact O-N 3.1Å
668K77.2Confident79.3Confident123 Ų12352.2 Ų52.254%0.53526%0.258SS..Hα-helixtrans-65.6-44.6177.3-67.7-168.7176.5-167.20111.6N666 L670 M671 Q672N666-K668 VanDerWaalsContact C-N 3.33Å; N666-K668 PolarHBondContact O-N 3.37Å; K668-L670 VanDerWaalsContact C-N 3.34Å; K668-M671 PolarHBondContact O-N 3.24Å; K668-Q672 WeakPolarHBondContact O-CG 3.5Å; K668-Q672 PolarHBondContact O-N 3.03Å
669G78.8Confident79.1Confident13 Ų1356 Ų5613%0.13428%0.28CS..Hα-helixtrans-63.6-39.5174.400000112.2N666 Q672 F673N666-G669 PolarHBondContact O-N 3.21Å; N666-G669 PolarHBondContact OD1-N 3.16Å; G669-Q672 PolarHBondContact O-N 3.29Å; G669-F673 VanDerWaalsContact O-CB 3.32Å; G669-F673 WeakPolarHBondContact O-CB 3.22Å; G669-F673 PolarHBondContact O-N 2.75Å
670L84Confident78.7Confident5 Ų560.9 Ų60.93%0.02631%0.31CS..Hα-helixtrans-61.8-47.9173-178.559.8000111.4F659 L660 F663 N666 P667 K668 Q672 F673 L674 L697F659-L670 HydrophobicContact CB-CD1 3.89Å; L660-L670 HydrophobicContact CD2-CD2 3.58Å; F663-L670 HydrophobicContact CB-CB 3.74Å; F663-L670 HydrophobicContact CB-CD1 4.16Å; F663-L670 HydrophobicContact CB-CG 4.37Å; F663-L670 HydrophobicContact CD2-CB 4.44Å; F663-L670 HydrophobicContact CD2-CD1 3.69Å; F663-L670 HydrophobicContact CE2-CD1 4.4Å; F663-L670 HydrophobicContact CG-CB 4.04Å; F663-L670 HydrophobicContact CG-CD1 4.14Å; N666-L670 PolarHBondContact O-N 3.42Å; P667-L670 PolarHBondContact O-N 3.32Å; K668-L670 VanDerWaalsContact C-N 3.34Å; L670-Q672 PolarHBondContact O-N 2.97Å; L670-F673 PolarHBondContact O-N 3.24Å; L670-L674 HydrophobicContact CD1-CD1 4.12Å; L670-L674 HydrophobicContact CD1-CD2 4.01Å; L670-L674 HydrophobicContact CD1-CG 3.83Å; L670-L674 HydrophobicContact CG-CD1 4.07Å; L670-L674 HydrophobicContact CG-CG 4.12Å; L670-L674 WeakPolarHBondContact O-CB 3.37Å; L670-L674 VanDerWaalsContact O-CG 3.27Å; L670-L674 WeakPolarHBondContact O-CG 3.41Å; L670-L674 PolarHBondContact O-N 3.16Å; L670-L697 HydrophobicContact CD2-CD1 3.56Å; L670-L697 HydrophobicContact CG-CD1 3.93Å
671M81.3Confident78Confident20 Ų2058.4 Ų58.410%0.09930%0.3CS..Hα-helixtrans-58.3-46.4178.7-74171.265.300111.9P667 K668 F673 L674 D675 F694 L697 L698 E701 L719P667-M671 WeakPolarHBondContact O-CB 3.5Å; P667-M671 VanDerWaalsContact O-CG 3.25Å; P667-M671 WeakPolarHBondContact O-CG 3.41Å; P667-M671 PolarHBondContact O-N 3.1Å; K668-M671 PolarHBondContact O-N 3.24Å; M671-F673 VanDerWaalsContact C-N 3.33Å; M671-F673 PolarHBondContact O-N 2.96Å; M671-L674 PolarHBondContact O-N 2.9Å; M671-D675 WeakPolarHBondContact O-CB 3.46Å; M671-D675 PolarHBondContact O-N 3.02Å; M671-F694 HydrophobicContact CB-CE2 4.19Å; M671-F694 HydrophobicContact CG-CE2 4.48Å; M671-F694 WeakPolarHBondContact O-CE2 3.35Å; M671-L697 HydrophobicContact CG-CB 4Å; M671-L697 HydrophobicContact CG-CD1 4.47Å; M671-L698 HydrophobicContact CE-CD2 3.65Å; M671-E701 HydrophobicContact CE-CB 4.17Å; M671-E701 HydrophobicContact CE-CG 4.34Å; M671-E701 HydrophobicContact SD-CB 4.1Å; M671-E701 HydrophobicContact SD-CG 4.28Å; M671-L719 HydrophobicContact CE-CD2 3.92Å
672Q80.9Confident77.1Confident144 Ų14455.8 Ų55.867%0.67330%0.297SS*.Hα-helixtrans-62.7-40.3176.6-71.4175.7-5.200112.1K668 G669 L670 R676K668-Q672 WeakPolarHBondContact O-CG 3.5Å; K668-Q672 PolarHBondContact O-N 3.03Å; G669-Q672 PolarHBondContact O-N 3.29Å; L670-Q672 PolarHBondContact O-N 2.97Å; Q672-R676 VanDerWaalsContact O-CB 3.3Å; Q672-R676 WeakPolarHBondContact O-CB 3.4Å; Q672-R676 PolarHBondContact O-N 3.42Å
673F81.5Confident76Confident9 Ų958.6 Ų58.64%0.03932%0.315CS..Hα-helixtrans-67.6-42.8177178.3-95.5000111.9L642 F659 F663 G669 L670 M671 R676 Y677L642-F673 HydrophobicContact CB-CE2 3.61Å; L642-F673 HydrophobicContact CB-CZ 3.67Å; L642-F673 HydrophobicContact CD1-CD2 4.39Å; L642-F673 HydrophobicContact CD1-CE2 4Å; L642-F673 HydrophobicContact CD1-CZ 4.12Å; L642-F673 HydrophobicContact CG-CE2 4.46Å; L642-F673 HydrophobicContact CG-CZ 4.44Å; F659-F673 HydrophobicContact CD1-CD1 4.26Å; F659-F673 AromaticContact CD1-CE1 3.5Å; F659-F673 HydrophobicContact CD1-CE1 3.5Å; F659-F673 HydrophobicContact CD1-CZ 4.23Å; F659-F673 HydrophobicContact CD2-CE1 4.45Å; F659-F673 HydrophobicContact CE1-CD1 4.48Å; F659-F673 AromaticContact CE1-CE1 3.35Å; F659-F673 HydrophobicContact CE1-CE1 3.35Å; F659-F673 AromaticContact CE1-CZ 3.74Å; F659-F673 HydrophobicContact CE1-CZ 3.74Å; F659-F673 HydrophobicContact CE2-CE1 4.33Å; F659-F673 HydrophobicContact CG-CE1 4.07Å; F659-F673 AromaticContact CZ-CE1 3.78Å; F659-F673 HydrophobicContact CZ-CE1 3.78Å; F659-F673 HydrophobicContact CZ-CZ 4.24Å; F663-F673 HydrophobicContact CE1-CB 4.49Å; F663-F673 HydrophobicContact CE2-CB 4.13Å; F663-F673 AromaticContact CE2-CD1 3.86Å; F663-F673 HydrophobicContact CE2-CD1 3.86Å; F663-F673 AromaticContact CE2-CG 3.88Å; F663-F673 HydrophobicContact CE2-CG 3.88Å; F663-F673 HydrophobicContact CZ-CB 3.83Å; F663-F673 HydrophobicContact CZ-CD1 4.29Å; F663-F673 HydrophobicContact CZ-CD2 4.22Å; F663-F673 AromaticContact CZ-CG 3.82Å; F663-F673 HydrophobicContact CZ-CG 3.82Å; G669-F673 VanDerWaalsContact O-CB 3.32Å; G669-F673 WeakPolarHBondContact O-CB 3.22Å; G669-F673 PolarHBondContact O-N 2.75Å; L670-F673 PolarHBondContact O-N 3.24Å; M671-F673 VanDerWaalsContact C-N 3.33Å; M671-F673 PolarHBondContact O-N 2.96Å; F673-R676 PolarHBondContact O-N 3.46Å; F673-Y677 VanDerWaalsContact O-CB 3.28Å; F673-Y677 WeakPolarHBondContact O-CB 3.32Å; F673-Y677 PolarHBondContact O-N 2.81Å
674L82.7Confident74.8Confident0 Ų062.9 Ų62.90%035%0.346CS..Hα-helixtrans-66.2-42.2178.1-67.3-170.3000111.5F659 L670 M671 Y677 I678 V690 F694 L697F659-L674 HydrophobicContact CD2-CD2 4.11Å; L670-L674 HydrophobicContact CD1-CD1 4.12Å; L670-L674 HydrophobicContact CD1-CD2 4.01Å; L670-L674 HydrophobicContact CD1-CG 3.83Å; L670-L674 HydrophobicContact CG-CD1 4.07Å; L670-L674 HydrophobicContact CG-CG 4.12Å; L670-L674 WeakPolarHBondContact O-CB 3.37Å; L670-L674 VanDerWaalsContact O-CG 3.27Å; L670-L674 WeakPolarHBondContact O-CG 3.41Å; L670-L674 PolarHBondContact O-N 3.16Å; M671-L674 PolarHBondContact O-N 2.9Å; L674-Y677 PolarHBondContact O-N 3.26Å; L674-I678 WeakPolarHBondContact O-CB 3.49Å; L674-I678 WeakPolarHBondContact O-CD1 3.46Å; L674-I678 WeakPolarHBondContact O-CG1 3.19Å; L674-I678 PolarHBondContact O-N 3.37Å; L674-V690 HydrophobicContact CB-CG1 4.47Å; L674-V690 HydrophobicContact CD1-CG1 4.41Å; L674-V690 HydrophobicContact CD2-CG1 3.65Å; L674-V690 HydrophobicContact CG-CG1 4.37Å; L674-F694 HydrophobicContact CB-CB 4.22Å; L674-F694 HydrophobicContact CB-CD2 3.7Å; L674-F694 HydrophobicContact CB-CE2 4.26Å; L674-F694 HydrophobicContact CB-CG 4.02Å; L674-F694 HydrophobicContact CD1-CB 3.88Å; L674-F694 HydrophobicContact CD1-CD2 4.15Å; L674-F694 HydrophobicContact CD1-CG 4.4Å; L674-L697 HydrophobicContact CD1-CD1 3.93Å
675D80.7Confident73.9Confident55 Ų5565.2 Ų65.229%0.29435%0.351SS..Hα-helixtrans-58-50.3173.4-178.440.3000110.9M671 Y677 I678 N679 F694M671-D675 WeakPolarHBondContact O-CB 3.46Å; M671-D675 PolarHBondContact O-N 3.02Å; D675-Y677 VanDerWaalsContact C-N 3.31Å; D675-Y677 PolarHBondContact O-N 3.31Å; D675-I678 PolarHBondContact O-N 3.36Å; D675-N679 WeakPolarHBondContact O-CB 3.17Å; D675-N679 VanDerWaalsContact O-CG 3.31Å; D675-N679 PolarHBondContact O-N 3.34Å; D675-N679 PolarHBondContact O-ND2 3.39Å; D675-N679 PolarHBondContact OD1-ND2 2.88Å; D675-F694 HydrophobicContact CB-CE1 4.33Å; D675-F694 HydrophobicContact CB-CE2 4.29Å; D675-F694 HydrophobicContact CB-CZ 3.69Å
676R78.7Confident73.1Confident123 Ų12361.3 Ų61.346%0.46433%0.33SS..Hα-helixtrans-59.7-41.4176.1-173.4172.4177.3-145.3-14.3112.1D643 Q672 F673 N679 T680D643-R676 IonicContact OD1-CZ 2.93Å; D643-R676 IonicContact OD1-NH1 3.54Å; D643-R676 IonicContact OD1-NH2 2.95Å; D643-R676 IonicContact OD2-CZ 3.41Å; D643-R676 IonicContact OD2-NH1 2.61Å; D643-R676 PolarHBondContact OD2-NH1 2.89Å; D643-R676 IonicContact OD2-NH2 3.21Å; D643-R676 PolarHBondContact OD2-NH2 3.38Å; Q672-R676 VanDerWaalsContact O-CB 3.3Å; Q672-R676 WeakPolarHBondContact O-CB 3.4Å; Q672-R676 PolarHBondContact O-N 3.42Å; F673-R676 PolarHBondContact O-N 3.46Å; R676-N679 PolarHBondContact O-N 3.1Å; R676-T680 WeakPolarHBondContact O-CB 3.16Å; R676-T680 PolarHBondContact O-N 2.85Å; R676-T680 PolarHBondContact O-OG1 3.2Å
677Y76.9Confident72.2Confident7 Ų758.2 Ų58.23%0.02731%0.314CS..Hα-helixtrans-64.4-46178.3177.2-106.5000111.6C646 F673 L674 D675 N679 T680 A681 V690C646-Y677 HydrophobicContact CB-CD2 3.52Å; C646-Y677 HydrophobicContact CB-CE2 3.38Å; C646-Y677 WeakPolarHBondContact SG-CD2 3.22Å; C646-Y677 WeakPolarHBondContact SG-CE2 3.35Å; F673-Y677 VanDerWaalsContact O-CB 3.28Å; F673-Y677 WeakPolarHBondContact O-CB 3.32Å; F673-Y677 PolarHBondContact O-N 2.81Å; L674-Y677 PolarHBondContact O-N 3.26Å; D675-Y677 VanDerWaalsContact C-N 3.31Å; D675-Y677 PolarHBondContact O-N 3.31Å; Y677-N679 VanDerWaalsContact C-N 3.3Å; Y677-N679 PolarHBondContact O-N 3.28Å; Y677-T680 PolarHBondContact O-N 3.04Å; Y677-A681 HydrophobicContact CD2-CB 4.49Å; Y677-A681 HydrophobicContact CE2-CB 4.22Å; Y677-A681 WeakPolarHBondContact O-CB 3.21Å; Y677-A681 PolarHBondContact O-N 3.48Å; Y677-V690 HydrophobicContact CD1-CG1 3.94Å; Y677-V690 HydrophobicContact CD1-CG2 4.36Å; Y677-V690 HydrophobicContact CE1-CB 4.37Å; Y677-V690 HydrophobicContact CE1-CG1 4.28Å; Y677-V690 HydrophobicContact CE1-CG2 3.92Å
678I76.7Confident71.5Confident16 Ų1659.2 Ų59.28%0.08232%0.319CS..Hα-helixtrans-61.3-40.8178.3-68.7164.2000110.7L674 D675 V687 V690 F694 L732L674-I678 WeakPolarHBondContact O-CB 3.49Å; L674-I678 WeakPolarHBondContact O-CD1 3.46Å; L674-I678 WeakPolarHBondContact O-CG1 3.19Å; L674-I678 PolarHBondContact O-N 3.37Å; D675-I678 PolarHBondContact O-N 3.36Å; I678-V687 HydrophobicContact CG1-CG1 3.74Å; I678-V690 HydrophobicContact CD1-CG1 4.45Å; I678-V690 HydrophobicContact CG1-CG1 4.33Å; I678-F694 HydrophobicContact CD1-CB 4.01Å; I678-F694 HydrophobicContact CD1-CD1 3.22Å; I678-F694 HydrophobicContact CD1-CE1 3.85Å; I678-F694 HydrophobicContact CD1-CG 3.84Å; I678-L732 HydrophobicContact CG2-CD1 4.06Å; I678-L732 HydrophobicContact CG2-CD2 3.85Å
679N74.6Confident71.2Confident117 Ų11754.6 Ų54.663%0.62631%0.307SS*.Hα-helixtrans-78.1-20.6-179.7-65.4-38.6000113.9D675 R676 Y677D675-N679 WeakPolarHBondContact O-CB 3.17Å; D675-N679 VanDerWaalsContact O-CG 3.31Å; D675-N679 PolarHBondContact O-N 3.34Å; D675-N679 PolarHBondContact O-ND2 3.39Å; D675-N679 PolarHBondContact OD1-ND2 2.88Å; R676-N679 PolarHBondContact O-N 3.1Å; Y677-N679 VanDerWaalsContact C-N 3.3Å; Y677-N679 PolarHBondContact O-N 3.28Å
680T71.1Confident71.1Confident106 Ų10654.1 Ų54.165%0.6530%0.301SS*.Hα-helixtrans-97.9-29.5-178.4-51.60000112.4R676 Y677R676-T680 WeakPolarHBondContact O-CB 3.16Å; R676-T680 PolarHBondContact O-N 2.85Å; R676-T680 PolarHBondContact O-OG1 3.2Å; Y677-T680 PolarHBondContact O-N 3.04Å
681A63.8Low70.9Confident22 Ų2254 Ų5418%0.18230%0.3CS..SBendtrans-75.1140.2-177.100000111.8Y677Y677-A681 HydrophobicContact CD2-CB 4.49Å; Y677-A681 HydrophobicContact CE2-CB 4.22Å; Y677-A681 WeakPolarHBondContact O-CB 3.21Å; Y677-A681 PolarHBondContact O-N 3.48Å
682S61Low70.9Confident62 Ų6253.2 Ų53.243%0.43430%0.297SS..  trans-64.3129.6173.455.20000110.7S684 K685S682-S684 PolarHBondContact O-N 2.94Å; S682-K685 PolarHBondContact O-N 3.31Å
683P58.2Low71Confident59 Ų5947.4 Ų47.438%0.38327%0.271SS..THydrogen-bonded Turntrans-54.1-32.9-173.1-26.731.5000114.6K685 E731P683-K685 PolarHBondContact O-N 2.92Å; P683-E731 HydrophobicContact CB-CB 4.26Å; P683-E731 HydrophobicContact CG-CB 4.43Å
684S56.6Low71.2Confident99 Ų9947.2 Ų47.269%0.69227%0.27SS*.THydrogen-bonded Turntrans-71.8-11.8-176.763.40000114.6S682S682-S684 PolarHBondContact O-N 2.94Å
685K54.8Low71.3Confident112 Ų11247.2 Ų47.249%0.48727%0.27SS..SBendtrans-130.985.3-169.9-74.2-178.3-177.6-175.70112.1S682 P683S682-K685 PolarHBondContact O-N 3.31Å; P683-K685 PolarHBondContact O-N 2.92Å
686L56.1Low71.6Confident67 Ų6748.1 Ų48.135%0.35127%0.272SS..SBendtrans78.856.6148.3-58.8112.4000118.7S652S652-L686 VanDerWaalsContact CA-CG 3.49Å; S652-L686 WeakPolarHBondContact O-CD2 3.37Å
687V62.9Low71.9Confident6 Ų643.6 Ų43.64%0.03626%0.258CS..  trans-105.3-2.7167-152.10000112.4I678 G689 V690 V691I678-V687 HydrophobicContact CG1-CG1 3.74Å; V687-G689 PolarHBondContact O-N 3.43Å; V687-V690 HydrophobicContact CG1-CB 4.04Å; V687-V690 HydrophobicContact CG1-CG1 4.43Å; V687-V690 PolarHBondContact O-N 3.19Å; V687-V691 HydrophobicContact CB-CG2 3.89Å; V687-V691 HydrophobicContact CG1-CG2 3.32Å; V687-V691 WeakPolarHBondContact O-CG2 3.16Å; V687-V691 PolarHBondContact O-N 3.42Å
688T63.5Low72.4Confident78 Ų7843.3 Ų43.348%0.47926%0.256SS..THydrogen-bonded Turntrans-60.6-17.8-166.240.90000116.9H733T688-H733 VanDerWaalsContact CA-O 3.28Å; T688-H733 WeakPolarHBondContact CA-O 3.21Å; T688-H733 HydrophobicContact CG2-CB 3.52Å; T688-H733 WeakPolarHBondContact CG2-O 3.45Å
689G69.5Low72.9Confident27 Ų2742.5 Ų42.528%0.27825%0.252SS..THydrogen-bonded Turntrans-104.7-29.516800000113.7V656 V687 D692 T693V656-G689 VanDerWaalsContact CG2-O 3.28Å; V656-G689 WeakPolarHBondContact CG2-O 3.33Å; V687-G689 PolarHBondContact O-N 3.43Å; G689-D692 PolarHBondContact O-N 3.32Å; G689-T693 PolarHBondContact O-N 2.93Å; G689-T693 PolarHBondContact O-OG1 3.1Å
690V77.1Confident73.5Confident3 Ų342.3 Ų42.32%0.01824%0.243CC..Hα-helixtrans-67.9-40.7-175.7177.10000110.4V656 F659 L674 Y677 I678 V687 D692 T693 F694V656-V690 VanDerWaalsContact CG2-CA 3.45Å; V656-V690 HydrophobicContact CG2-CB 4.17Å; V656-V690 HydrophobicContact CG2-CG2 3.71Å; V656-V690 VanDerWaalsContact CG2-N 3.32Å; F659-V690 HydrophobicContact CE2-CG2 4.34Å; L674-V690 HydrophobicContact CB-CG1 4.47Å; L674-V690 HydrophobicContact CD1-CG1 4.41Å; L674-V690 HydrophobicContact CD2-CG1 3.65Å; L674-V690 HydrophobicContact CG-CG1 4.37Å; Y677-V690 HydrophobicContact CD1-CG1 3.94Å; Y677-V690 HydrophobicContact CD1-CG2 4.36Å; Y677-V690 HydrophobicContact CE1-CB 4.37Å; Y677-V690 HydrophobicContact CE1-CG1 4.28Å; Y677-V690 HydrophobicContact CE1-CG2 3.92Å; I678-V690 HydrophobicContact CD1-CG1 4.45Å; I678-V690 HydrophobicContact CG1-CG1 4.33Å; V687-V690 HydrophobicContact CG1-CB 4.04Å; V687-V690 HydrophobicContact CG1-CG1 4.43Å; V687-V690 PolarHBondContact O-N 3.19Å; V690-D692 VanDerWaalsContact C-N 3.32Å; V690-D692 PolarHBondContact O-N 3.46Å; V690-T693 PolarHBondContact O-N 3.43Å; V690-F694 WeakPolarHBondContact O-CB 3.48Å; V690-F694 PolarHBondContact O-N 3.33Å
691V79.6Confident74.1Confident1 Ų137.7 Ų37.71%0.00622%0.215CC..Hα-helixtrans-58.4-45.3175.2-177.60000110.8V687 T693 F694 L695 L726 L732 Y734V687-V691 HydrophobicContact CB-CG2 3.89Å; V687-V691 HydrophobicContact CG1-CG2 3.32Å; V687-V691 WeakPolarHBondContact O-CG2 3.16Å; V687-V691 PolarHBondContact O-N 3.42Å; V691-T693 PolarHBondContact O-N 3.19Å; V691-F694 PolarHBondContact O-N 3.31Å; V691-L695 VanDerWaalsContact O-CB 3.27Å; V691-L695 WeakPolarHBondContact O-CB 3.26Å; V691-L695 PolarHBondContact O-N 3.26Å; V691-L726 HydrophobicContact CG1-CD1 3.98Å; V691-L726 HydrophobicContact CG1-CD2 3.24Å; V691-L726 HydrophobicContact CG1-CG 3.69Å; V691-L732 HydrophobicContact CG2-CB 4.47Å; V691-L732 HydrophobicContact CG2-CD2 4.46Å; V691-Y734 HydrophobicContact CG1-CD1 4.28Å; V691-Y734 HydrophobicContact CG1-CG 4.22Å
692D82.1Confident75.1Confident5 Ų536.7 Ų36.73%0.02721%0.206CC..Hα-helixtrans-62.1-47-179.4-59.8-18.5000112.1G689 V690 L695 E696 D735 K738 I742G689-D692 PolarHBondContact O-N 3.32Å; V690-D692 VanDerWaalsContact C-N 3.32Å; V690-D692 PolarHBondContact O-N 3.46Å; D692-L695 PolarHBondContact O-N 3.49Å; D692-E696 PolarHBondContact O-N 3.21Å; D692-D735 PolarHBondContact OD1-N 2.7Å; D692-K738 HydrophobicContact CB-CD 4.41Å; D692-K738 VanDerWaalsContact OD2-CD 3.3Å; D692-K738 WeakPolarHBondContact OD2-CD 3.15Å; D692-K738 WeakPolarHBondContact OD2-CE 3.4Å; D692-K738 IonicContact OD2-NZ 2.73Å; D692-K738 PolarHBondContact OD2-NZ 3.35Å; D692-I742 HydrophobicContact CB-CD1 4.28Å
693T82.4Confident76.2Confident22 Ų2236 Ų3614%0.13520%0.198CC..Hα-helixtrans-69.7-36.7179.3-58.30000111.3V656 L660 G689 V690 V691 E696 L697V656-T693 HydrophobicContact CG1-CG2 3.63Å; V656-T693 WeakPolarHBondContact CG1-OG1 3.41Å; L660-T693 HydrophobicContact CD1-CG2 4.42Å; L660-T693 HydrophobicContact CD2-CG2 4.31Å; G689-T693 PolarHBondContact O-N 2.93Å; G689-T693 PolarHBondContact O-OG1 3.1Å; V690-T693 PolarHBondContact O-N 3.43Å; V691-T693 PolarHBondContact O-N 3.19Å; T693-E696 PolarHBondContact O-N 3.11Å; T693-L697 HydrophobicContact CG2-CD1 4.11Å; T693-L697 HydrophobicContact CG2-CG 4.4Å; T693-L697 WeakPolarHBondContact O-CB 3.31Å; T693-L697 VanDerWaalsContact O-CG 3.25Å; T693-L697 WeakPolarHBondContact O-CG 3.39Å; T693-L697 PolarHBondContact O-N 3.38Å
694F85.6Confident77.4Confident4 Ų438.7 Ų38.72%0.01820%0.2CC..Hα-helixtrans-65.1-44174.9-175.4-131.9000111.1M671 L674 D675 I678 V690 V691 E696 L697 L698 M722 L726M671-F694 HydrophobicContact CB-CE2 4.19Å; M671-F694 HydrophobicContact CG-CE2 4.48Å; M671-F694 WeakPolarHBondContact O-CE2 3.35Å; L674-F694 HydrophobicContact CB-CB 4.22Å; L674-F694 HydrophobicContact CB-CD2 3.7Å; L674-F694 HydrophobicContact CB-CE2 4.26Å; L674-F694 HydrophobicContact CB-CG 4.02Å; L674-F694 HydrophobicContact CD1-CB 3.88Å; L674-F694 HydrophobicContact CD1-CD2 4.15Å; L674-F694 HydrophobicContact CD1-CG 4.4Å; D675-F694 HydrophobicContact CB-CE1 4.33Å; D675-F694 HydrophobicContact CB-CE2 4.29Å; D675-F694 HydrophobicContact CB-CZ 3.69Å; I678-F694 HydrophobicContact CD1-CB 4.01Å; I678-F694 HydrophobicContact CD1-CD1 3.22Å; I678-F694 HydrophobicContact CD1-CE1 3.85Å; I678-F694 HydrophobicContact CD1-CG 3.84Å; V690-F694 WeakPolarHBondContact O-CB 3.48Å; V690-F694 PolarHBondContact O-N 3.33Å; V691-F694 PolarHBondContact O-N 3.31Å; F694-E696 VanDerWaalsContact C-N 3.32Å; F694-E696 PolarHBondContact O-N 3.43Å; F694-L697 PolarHBondContact O-N 3.04Å; F694-L698 HydrophobicContact CD1-CD1 3.87Å; F694-L698 HydrophobicContact CD2-CD1 4.37Å; F694-L698 HydrophobicContact CD2-CG 4.15Å; F694-L698 HydrophobicContact CE1-CD1 3.63Å; F694-L698 HydrophobicContact CE1-CG 4.32Å; F694-L698 HydrophobicContact CE2-CD1 4.15Å; F694-L698 HydrophobicContact CE2-CD2 3.98Å; F694-L698 HydrophobicContact CE2-CG 3.92Å; F694-L698 HydrophobicContact CG-CD1 4.24Å; F694-L698 HydrophobicContact CG-CG 4.45Å; F694-L698 HydrophobicContact CZ-CD1 3.78Å; F694-L698 HydrophobicContact CZ-CD2 3.97Å; F694-L698 HydrophobicContact CZ-CG 4.01Å; F694-L698 WeakPolarHBondContact O-CB 3.37Å; F694-L698 VanDerWaalsContact O-CG 3.23Å; F694-L698 WeakPolarHBondContact O-CG 3.47Å; F694-L698 PolarHBondContact O-N 2.89Å; F694-M722 HydrophobicContact CE1-CE 4.42Å; F694-M722 HydrophobicContact CE2-CE 4.47Å; F694-M722 HydrophobicContact CZ-CE 3.67Å; F694-L726 HydrophobicContact CD1-CD1 3.35Å; F694-L726 HydrophobicContact CE1-CD1 3.9Å; F694-L726 HydrophobicContact CG-CD1 4.35Å
695L86Confident78.5Confident1 Ų134.9 Ų34.91%0.00517%0.172CC..Hα-helixtrans-57.4-44.8172.117965.3000111.3V691 D692 L698 L699 A723 L726 L727 A739 I742V691-L695 VanDerWaalsContact O-CB 3.27Å; V691-L695 WeakPolarHBondContact O-CB 3.26Å; V691-L695 PolarHBondContact O-N 3.26Å; D692-L695 PolarHBondContact O-N 3.49Å; L695-L698 PolarHBondContact O-N 3.3Å; L695-L699 HydrophobicContact CD1-CD1 3.9Å; L695-L699 HydrophobicContact CD1-CG 4.13Å; L695-L699 HydrophobicContact CG-CD1 4.03Å; L695-L699 WeakPolarHBondContact O-CB 3.39Å; L695-L699 VanDerWaalsContact O-CG 3.3Å; L695-L699 WeakPolarHBondContact O-CG 3.36Å; L695-L699 PolarHBondContact O-N 3.43Å; L695-A723 HydrophobicContact CD1-CB 3.9Å; L695-L726 HydrophobicContact CB-CD2 4.2Å; L695-L726 HydrophobicContact CD1-CD2 4.26Å; L695-L727 HydrophobicContact CD1-CG 4.41Å; L695-L727 HydrophobicContact CD2-CD2 3.9Å; L695-A739 HydrophobicContact CD2-CB 3.92Å; L695-I742 HydrophobicContact CG-CG2 4.49Å
696E86.8Confident79.6Confident73 Ų7334.5 Ų34.534%0.34117%0.172SC..Hα-helixtrans-61.8-44.9176.5-173.9177.9-177.200112D692 T693 F694 L699 Y700 I742 R746D692-E696 PolarHBondContact O-N 3.21Å; T693-E696 PolarHBondContact O-N 3.11Å; F694-E696 VanDerWaalsContact C-N 3.32Å; F694-E696 PolarHBondContact O-N 3.43Å; E696-L699 PolarHBondContact O-N 2.74Å; E696-Y700 WeakPolarHBondContact O-CB 3.44Å; E696-Y700 PolarHBondContact O-N 3.18Å; E696-I742 HydrophobicContact CB-CD1 4.41Å; E696-I742 HydrophobicContact CB-CG2 4.05Å; E696-I742 HydrophobicContact CG-CG2 4.35Å; E696-R746 IonicContact OE1-NH2 3.86Å; E696-R746 PolarHBondContact OE1-NH2 2.89Å
697L85.2Confident80.6Confident29 Ų2935.1 Ų35.115%0.15219%0.187CC..Hα-helixtrans-63.9-41.9177.7-72.2168.9000111.7L670 M671 L674 T693 F694 Y700 E701L670-L697 HydrophobicContact CD2-CD1 3.56Å; L670-L697 HydrophobicContact CG-CD1 3.93Å; M671-L697 HydrophobicContact CG-CB 4Å; M671-L697 HydrophobicContact CG-CD1 4.47Å; L674-L697 HydrophobicContact CD1-CD1 3.93Å; T693-L697 HydrophobicContact CG2-CD1 4.11Å; T693-L697 HydrophobicContact CG2-CG 4.4Å; T693-L697 WeakPolarHBondContact O-CB 3.31Å; T693-L697 VanDerWaalsContact O-CG 3.25Å; T693-L697 WeakPolarHBondContact O-CG 3.39Å; T693-L697 PolarHBondContact O-N 3.38Å; F694-L697 PolarHBondContact O-N 3.04Å; L697-Y700 PolarHBondContact O-N 3.09Å; L697-E701 WeakPolarHBondContact O-CB 3.3Å; L697-E701 PolarHBondContact O-N 3.48Å
698L86.8Confident81.3Confident0 Ų038.8 Ų38.80%021%0.206CC..Hα-helixtrans-61.2-50.5176.6-73.9172.8000111.6M671 F694 L695 Y700 E701 A702 L719 M722 L726M671-L698 HydrophobicContact CE-CD2 3.65Å; F694-L698 HydrophobicContact CD1-CD1 3.87Å; F694-L698 HydrophobicContact CD2-CD1 4.37Å; F694-L698 HydrophobicContact CD2-CG 4.15Å; F694-L698 HydrophobicContact CE1-CD1 3.63Å; F694-L698 HydrophobicContact CE1-CG 4.32Å; F694-L698 HydrophobicContact CE2-CD1 4.15Å; F694-L698 HydrophobicContact CE2-CD2 3.98Å; F694-L698 HydrophobicContact CE2-CG 3.92Å; F694-L698 HydrophobicContact CG-CD1 4.24Å; F694-L698 HydrophobicContact CG-CG 4.45Å; F694-L698 HydrophobicContact CZ-CD1 3.78Å; F694-L698 HydrophobicContact CZ-CD2 3.97Å; F694-L698 HydrophobicContact CZ-CG 4.01Å; F694-L698 WeakPolarHBondContact O-CB 3.37Å; F694-L698 VanDerWaalsContact O-CG 3.23Å; F694-L698 WeakPolarHBondContact O-CG 3.47Å; F694-L698 PolarHBondContact O-N 2.89Å; L695-L698 PolarHBondContact O-N 3.3Å; L698-Y700 VanDerWaalsContact C-N 3.33Å; L698-Y700 PolarHBondContact O-N 3.3Å; L698-E701 PolarHBondContact O-N 3.38Å; L698-A702 WeakPolarHBondContact O-CB 3.49Å; L698-A702 PolarHBondContact O-N 3.42Å; L698-L719 HydrophobicContact CD2-CD2 3.81Å; L698-M722 HydrophobicContact CD1-CE 4.16Å; L698-M722 HydrophobicContact CD2-CE 3.16Å; L698-M722 HydrophobicContact CG-CE 4.27Å; L698-L726 HydrophobicContact CD1-CD1 4.24Å
699L87.6Confident81.4Confident0 Ų044.8 Ų44.80%023%0.226CC..Hα-helixtrans-69.7-32.9-179.5-66.2177.8000111.9L695 E696 N703 F720 A723 I742 R746 F748L695-L699 HydrophobicContact CD1-CD1 3.9Å; L695-L699 HydrophobicContact CD1-CG 4.13Å; L695-L699 HydrophobicContact CG-CD1 4.03Å; L695-L699 WeakPolarHBondContact O-CB 3.39Å; L695-L699 VanDerWaalsContact O-CG 3.3Å; L695-L699 WeakPolarHBondContact O-CG 3.36Å; L695-L699 PolarHBondContact O-N 3.43Å; E696-L699 PolarHBondContact O-N 2.74Å; L699-N703 VanDerWaalsContact O-CB 3.28Å; L699-N703 WeakPolarHBondContact O-CB 3.46Å; L699-N703 VanDerWaalsContact O-CG 3.27Å; L699-N703 PolarHBondContact O-N 3.18Å; L699-N703 PolarHBondContact O-ND2 2.83Å; L699-F720 HydrophobicContact CD2-CD1 3.8Å; L699-F720 HydrophobicContact CD2-CE1 3.83Å; L699-A723 HydrophobicContact CD2-CB 3.95Å; L699-I742 HydrophobicContact CD1-CG2 4.09Å; L699-R746 HydrophobicContact CB-CB 4.02Å; L699-R746 HydrophobicContact CB-CG 4.05Å; L699-R746 HydrophobicContact CD1-CB 4.34Å; L699-F748 HydrophobicContact CD1-CB 4.11Å; L699-F748 HydrophobicContact CD1-CD1 4.15Å; L699-F748 HydrophobicContact CD1-CG 4.34Å; L699-F748 HydrophobicContact CD2-CB 3.89Å; L699-F748 HydrophobicContact CD2-CD1 3.82Å; L699-F748 HydrophobicContact CD2-CD2 3.94Å; L699-F748 HydrophobicContact CD2-CE1 4.28Å; L699-F748 HydrophobicContact CD2-CE2 4.4Å; L699-F748 HydrophobicContact CD2-CG 3.61Å
700Y86.3Confident81.1Confident112 Ų11248.1 Ų48.144%0.43924%0.244SC..Hα-helixtrans-62.7-50.8172.6177-99.8000111.3E696 L697 L698 R704E696-Y700 WeakPolarHBondContact O-CB 3.44Å; E696-Y700 PolarHBondContact O-N 3.18Å; L697-Y700 PolarHBondContact O-N 3.09Å; L698-Y700 VanDerWaalsContact C-N 3.33Å; L698-Y700 PolarHBondContact O-N 3.3Å; Y700-R704 WeakPolarHBondContact O-CB 3.37Å; Y700-R704 PolarHBondContact O-N 2.74Å
701E83.7Confident80.2Confident10 Ų1050 Ų505%0.04726%0.256CS..Hα-helixtrans-67.5-41.8-179-172.368.6176.800111.4M671 L697 L698 N703 R704 L705 L719M671-E701 HydrophobicContact CE-CB 4.17Å; M671-E701 HydrophobicContact CE-CG 4.34Å; M671-E701 HydrophobicContact SD-CB 4.1Å; M671-E701 HydrophobicContact SD-CG 4.28Å; L697-E701 WeakPolarHBondContact O-CB 3.3Å; L697-E701 PolarHBondContact O-N 3.48Å; L698-E701 PolarHBondContact O-N 3.38Å; E701-N703 PolarHBondContact O-N 3.18Å; E701-R704 WeakPolarHBondContact O-CB 3.44Å; E701-R704 PolarHBondContact O-N 2.88Å; E701-R704 IonicContact OE1-CZ 2.77Å; E701-R704 IonicContact OE1-NE 3.76Å; E701-R704 IonicContact OE1-NH2 3.7Å; E701-R704 PolarHBondContact OE1-NH2 3.44Å; E701-R704 IonicContact OE2-CZ 3.25Å; E701-R704 IonicContact OE2-NE 3.11Å; E701-R704 PolarHBondContact OE2-NE 3.48Å; E701-R704 IonicContact OE2-NH2 3.35Å; E701-R704 PolarHBondContact OE2-NH2 3.36Å; E701-L705 HydrophobicContact CG-CD1 4.37Å; E701-L705 WeakPolarHBondContact O-CG 3.23Å; E701-L705 PolarHBondContact O-N 2.76Å; E701-L719 HydrophobicContact CB-CD1 4Å; E701-L719 HydrophobicContact CG-CD1 3.73Å
702A84.5Confident79.2Confident0 Ų054.4 Ų54.40%028%0.283CS..Hα-helixtrans-59.5-47.4176.700000112.1L698 R704 L705 E706 L719 F720L698-A702 WeakPolarHBondContact O-CB 3.49Å; L698-A702 PolarHBondContact O-N 3.42Å; A702-R704 VanDerWaalsContact C-N 3.34Å; A702-R704 PolarHBondContact O-N 2.7Å; A702-L705 PolarHBondContact O-N 3.17Å; A702-E706 PolarHBondContact O-N 2.95Å; A702-L719 HydrophobicContact CB-CB 3.79Å; A702-L719 HydrophobicContact CB-CD1 4.23Å; A702-F720 HydrophobicContact CB-CD1 4Å; A702-F720 HydrophobicContact CB-CD2 4.03Å; A702-F720 HydrophobicContact CB-CE1 3.72Å; A702-F720 HydrophobicContact CB-CE2 3.74Å; A702-F720 HydrophobicContact CB-CG 4.15Å; A702-F720 HydrophobicContact CB-CZ 3.58Å
703N84.6Confident78.7Confident48 Ų4859.4 Ų59.426%0.25731%0.31SS..Hα-helixtrans-65.5-36.4176.1-78.6-16.8000112.6L699 E701 L705 E706 A707 F720 R746L699-N703 VanDerWaalsContact O-CB 3.28Å; L699-N703 WeakPolarHBondContact O-CB 3.46Å; L699-N703 VanDerWaalsContact O-CG 3.27Å; L699-N703 PolarHBondContact O-N 3.18Å; L699-N703 PolarHBondContact O-ND2 2.83Å; E701-N703 PolarHBondContact O-N 3.18Å; N703-L705 VanDerWaalsContact C-N 3.33Å; N703-E706 PolarHBondContact O-N 3.22Å; N703-A707 PolarHBondContact O-N 2.99Å; N703-F720 WeakPolarHBondContact OD1-CZ 3.36Å; N703-R746 PolarHBondContact ND2-O 3.09Å
704R82.8Confident78.5Confident115 Ų11565 Ų6543%0.43434%0.335SS..Hα-helixtrans-63.5-42.2176.5-170.4-179.173154.43.6110.8Y700 E701 A702 A707 D708Y700-R704 WeakPolarHBondContact O-CB 3.37Å; Y700-R704 PolarHBondContact O-N 2.74Å; E701-R704 WeakPolarHBondContact O-CB 3.44Å; E701-R704 PolarHBondContact O-N 2.88Å; E701-R704 IonicContact OE1-CZ 2.77Å; E701-R704 IonicContact OE1-NE 3.76Å; E701-R704 IonicContact OE1-NH2 3.7Å; E701-R704 PolarHBondContact OE1-NH2 3.44Å; E701-R704 IonicContact OE2-CZ 3.25Å; E701-R704 IonicContact OE2-NE 3.11Å; E701-R704 PolarHBondContact OE2-NE 3.48Å; E701-R704 IonicContact OE2-NH2 3.35Å; E701-R704 PolarHBondContact OE2-NH2 3.36Å; A702-R704 VanDerWaalsContact C-N 3.34Å; A702-R704 PolarHBondContact O-N 2.7Å; R704-A707 PolarHBondContact O-N 2.96Å; R704-D708 PolarHBondContact O-N 3.46Å; R704-D708 VanDerWaalsContact O-N 3.11Å
705L80.6Confident78.1Confident19 Ų1969.4 Ų69.410%0.09936%0.355CS..Hα-helixtrans-67.3-38.6176-69.1175.2000112.4E701 A702 N703 A707 D708 V711 E715 L719E701-L705 HydrophobicContact CG-CD1 4.37Å; E701-L705 WeakPolarHBondContact O-CG 3.23Å; E701-L705 PolarHBondContact O-N 2.76Å; A702-L705 PolarHBondContact O-N 3.17Å; N703-L705 VanDerWaalsContact C-N 3.33Å; L705-A707 VanDerWaalsContact C-N 3.31Å; L705-A707 PolarHBondContact O-N 3.42Å; L705-D708 PolarHBondContact O-N 3.09Å; L705-V711 HydrophobicContact CD2-CB 4.38Å; L705-V711 HydrophobicContact CD2-CG1 4.16Å; L705-V711 HydrophobicContact CD2-CG2 4.22Å; L705-E715 HydrophobicContact CD1-CB 3.99Å; L705-L719 HydrophobicContact CD1-CD1 3.8Å
706E77.2Confident77.9Confident104 Ų10469.4 Ų69.449%0.48636%0.355SS..Hα-helixtrans-64.1-34.8173.2-76.6-163.815800113.1A702 N703 D708 F720A702-E706 PolarHBondContact O-N 2.95Å; N703-E706 PolarHBondContact O-N 3.22Å; E706-D708 VanDerWaalsContact C-N 3.35Å; E706-F720 HydrophobicContact CG-CE2 4.06Å; E706-F720 WeakPolarHBondContact OE1-CE2 3.28Å
707A77.4Confident77.7Confident80 Ų8069.9 Ų69.966%0.66136%0.363SS*.Hα-helixtrans-71.5-32.6177.300000112.2N703 R704 L705 K709N703-A707 PolarHBondContact O-N 2.99Å; R704-A707 PolarHBondContact O-N 2.96Å; L705-A707 VanDerWaalsContact C-N 3.31Å; L705-A707 PolarHBondContact O-N 3.42Å; A707-K709 PolarHBondContact O-N 3.3Å
708D77.6Confident77.6Confident84 Ų8474.3 Ų74.345%0.44938%0.383SS..  trans-83.988178.9-157.2-16.7000110.5R704 L705 E706 S710 V711R704-D708 PolarHBondContact O-N 3.46Å; R704-D708 VanDerWaalsContact O-N 3.11Å; L705-D708 PolarHBondContact O-N 3.09Å; E706-D708 VanDerWaalsContact C-N 3.35Å; D708-S710 PolarHBondContact O-N 3.3Å; D708-S710 PolarHBondContact OD1-OG 3.08Å; D708-V711 PolarHBondContact O-N 3.2Å
709K66.6Low77.6Confident204 Ų20475.5 Ų75.589%0.88739%0.389SS*.THydrogen-bonded Turntrans-56.3-5.5-178.1-63.6-176179.8-179.40115.1A707A707-K709 PolarHBondContact O-N 3.3Å
710S61.9Low77.5Confident96 Ų9677 Ų7767%0.67140%0.396SS*.THydrogen-bonded Turntrans-83.4-19.4-179.367.40000113.9D708D708-S710 PolarHBondContact O-N 3.3Å; D708-S710 PolarHBondContact OD1-OG 3.08Å
711V58.3Low77.5Confident43 Ų4377.1 Ų77.126%0.26140%0.4SS..SBendtrans-99.6143.6-174.7-172.10000111L705 D708 N713L705-V711 HydrophobicContact CD2-CB 4.38Å; L705-V711 HydrophobicContact CD2-CG1 4.16Å; L705-V711 HydrophobicContact CD2-CG2 4.22Å; D708-V711 PolarHBondContact O-N 3.2Å; V711-N713 PolarHBondContact O-N 3.34Å
712T59.7Low77.6Confident93 Ų9379 Ų7957%0.57141%0.41SS*.  trans-60125.7173.840.60000110.1E714 E715T712-E714 PolarHBondContact O-N 3.47Å; T712-E715 PolarHBondContact O-N 3.47Å
713N70.2Confident77.7Confident111 Ų11179 Ų7959%0.59441%0.41SS*.Hα-helixtrans-55.1-7.2177.5-79.1-11.1000114.5V711 S716 V717V711-N713 PolarHBondContact O-N 3.34Å; N713-S716 PolarHBondContact O-OG 3.1Å; N713-V717 WeakPolarHBondContact O-CB 3.42Å; N713-V717 WeakPolarHBondContact O-CG2 3.26Å; N713-V717 PolarHBondContact O-N 3.02Å; N713-V717 VanDerWaalsContact O-N 3.13Å
714E78.8Confident77.7Confident140 Ų14079.3 Ų79.365%0.65441%0.41SS*.Hα-helixtrans-66-41.5177.9-66.1-175.1172.100112.4T712 V717 Q718T712-E714 PolarHBondContact O-N 3.47Å; E714-V717 PolarHBondContact O-N 3.49Å; E714-Q718 VanDerWaalsContact O-CG 3.3Å; E714-Q718 WeakPolarHBondContact O-CG 3.41Å; E714-Q718 PolarHBondContact O-N 3.15Å
715E78.4Confident77.8Confident95 Ų9579 Ų7944%0.44441%0.414SS..Hα-helixtrans-66.7-42.4-179.7-67.7-171.4168.400111.3L705 T712 V717 Q718 L719L705-E715 HydrophobicContact CD1-CB 3.99Å; T712-E715 PolarHBondContact O-N 3.47Å; E715-V717 PolarHBondContact O-N 3.16Å; E715-Q718 PolarHBondContact O-N 2.92Å; E715-L719 WeakPolarHBondContact O-CG 3.48Å; E715-L719 PolarHBondContact O-N 3.45Å
716S80.4Confident78Confident2 Ų278.6 Ų78.61%0.01441%0.411CS..Hα-helixtrans-64.5-41.8177.363.20000111.7N713 Q718 L719 F720N713-S716 PolarHBondContact O-OG 3.1Å; S716-Q718 VanDerWaalsContact C-N 3.35Å; S716-Q718 PolarHBondContact O-N 2.91Å; S716-L719 PolarHBondContact O-N 3.25Å; S716-F720 WeakPolarHBondContact O-CD2 3.44Å; S716-F720 PolarHBondContact O-N 3.01Å
717V83.4Confident78.3Confident82 Ų8273.6 Ų73.650%0.49739%0.388SS..Hα-helixtrans-61.8-42.4176.4169.80000111.3N713 E714 E715 L719 F720 Q721N713-V717 WeakPolarHBondContact O-CB 3.42Å; N713-V717 WeakPolarHBondContact O-CG2 3.26Å; N713-V717 PolarHBondContact O-N 3.02Å; N713-V717 VanDerWaalsContact O-N 3.13Å; E714-V717 PolarHBondContact O-N 3.49Å; E715-V717 PolarHBondContact O-N 3.16Å; V717-L719 PolarHBondContact O-N 3.17Å; V717-F720 PolarHBondContact O-N 3.3Å; V717-Q721 WeakPolarHBondContact O-CB 3.2Å; V717-Q721 PolarHBondContact O-N 3.42Å
718Q84.1Confident78.6Confident122 Ų12272.6 Ų72.657%0.5738%0.376SS*.Hα-helixtrans-62.1-42.4176-73.9174.111.400112E714 E715 S716 Q721 M722E714-Q718 VanDerWaalsContact O-CG 3.3Å; E714-Q718 WeakPolarHBondContact O-CG 3.41Å; E714-Q718 PolarHBondContact O-N 3.15Å; E715-Q718 PolarHBondContact O-N 2.92Å; S716-Q718 VanDerWaalsContact C-N 3.35Å; S716-Q718 PolarHBondContact O-N 2.91Å; Q718-Q721 PolarHBondContact O-N 3.01Å; Q718-M722 WeakPolarHBondContact O-CB 3.49Å; Q718-M722 PolarHBondContact O-N 3.37Å
719L85.2Confident78.7Confident26 Ų2671.5 Ų71.514%0.13637%0.37CS..Hα-helixtrans-64.8-40.8177.2-66.6177.9000112.2M671 L698 E701 A702 L705 E715 S716 V717 Q721 M722 A723M671-L719 HydrophobicContact CE-CD2 3.92Å; L698-L719 HydrophobicContact CD2-CD2 3.81Å; E701-L719 HydrophobicContact CB-CD1 4Å; E701-L719 HydrophobicContact CG-CD1 3.73Å; A702-L719 HydrophobicContact CB-CB 3.79Å; A702-L719 HydrophobicContact CB-CD1 4.23Å; L705-L719 HydrophobicContact CD1-CD1 3.8Å; E715-L719 WeakPolarHBondContact O-CG 3.48Å; E715-L719 PolarHBondContact O-N 3.45Å; S716-L719 PolarHBondContact O-N 3.25Å; V717-L719 PolarHBondContact O-N 3.17Å; L719-Q721 VanDerWaalsContact C-N 3.35Å; L719-M722 HydrophobicContact CD2-CE 4.35Å; L719-M722 PolarHBondContact O-N 2.96Å; L719-A723 WeakPolarHBondContact O-CB 3.41Å; L719-A723 PolarHBondContact O-N 3.31Å
720F85.8Confident79Confident32 Ų3267.6 Ų67.614%0.1436%0.359CS..Hα-helixtrans-66.5-36.6173.7-74.2-58.1000112.6L699 A702 N703 E706 S716 V717 M722 A723 M724 F748L699-F720 HydrophobicContact CD2-CD1 3.8Å; L699-F720 HydrophobicContact CD2-CE1 3.83Å; A702-F720 HydrophobicContact CB-CD1 4Å; A702-F720 HydrophobicContact CB-CD2 4.03Å; A702-F720 HydrophobicContact CB-CE1 3.72Å; A702-F720 HydrophobicContact CB-CE2 3.74Å; A702-F720 HydrophobicContact CB-CG 4.15Å; A702-F720 HydrophobicContact CB-CZ 3.58Å; N703-F720 WeakPolarHBondContact OD1-CZ 3.36Å; E706-F720 HydrophobicContact CG-CE2 4.06Å; E706-F720 WeakPolarHBondContact OE1-CE2 3.28Å; S716-F720 WeakPolarHBondContact O-CD2 3.44Å; S716-F720 PolarHBondContact O-N 3.01Å; V717-F720 PolarHBondContact O-N 3.3Å; F720-M722 VanDerWaalsContact C-N 3.33Å; F720-A723 PolarHBondContact O-N 3.42Å; F720-M724 PolarHBondContact O-N 2.85Å; F720-F748 HydrophobicContact CB-CE2 4.22Å; F720-F748 AromaticContact CD1-CD2 3.55Å; F720-F748 HydrophobicContact CD1-CD2 3.55Å; F720-F748 AromaticContact CD1-CE2 3.53Å; F720-F748 HydrophobicContact CD1-CE2 3.53Å; F720-F748 HydrophobicContact CD1-CZ 4.48Å; F720-F748 AromaticContact CE1-CD2 3.82Å; F720-F748 HydrophobicContact CE1-CD2 3.82Å; F720-F748 HydrophobicContact CE1-CE2 4.28Å; F720-F748 HydrophobicContact CG-CE2 4.21Å
721Q86.7Confident79.3Confident113 Ų11369 Ų6953%0.52836%0.355SS..Hα-helixtrans-65.1-40.9174.3-176.1173.9-8.600110.9V717 Q718 L719 M724 Q725V717-Q721 WeakPolarHBondContact O-CB 3.2Å; V717-Q721 PolarHBondContact O-N 3.42Å; Q718-Q721 PolarHBondContact O-N 3.01Å; L719-Q721 VanDerWaalsContact C-N 3.35Å; Q721-M724 PolarHBondContact O-N 3.13Å; Q721-Q725 WeakPolarHBondContact O-CG 3Å; Q721-Q725 PolarHBondContact O-N 3.5Å
722M85.3Confident79.9Confident51 Ų5167.7 Ų67.725%0.25135%0.346SS..Hα-helixtrans-66.1-38.2175.4-159.9162.47400111.5F694 L698 Q718 L719 F720 M724 Q725 L726F694-M722 HydrophobicContact CE1-CE 4.42Å; F694-M722 HydrophobicContact CE2-CE 4.47Å; F694-M722 HydrophobicContact CZ-CE 3.67Å; L698-M722 HydrophobicContact CD1-CE 4.16Å; L698-M722 HydrophobicContact CD2-CE 3.16Å; L698-M722 HydrophobicContact CG-CE 4.27Å; Q718-M722 WeakPolarHBondContact O-CB 3.49Å; Q718-M722 PolarHBondContact O-N 3.37Å; L719-M722 HydrophobicContact CD2-CE 4.35Å; L719-M722 PolarHBondContact O-N 2.96Å; F720-M722 VanDerWaalsContact C-N 3.33Å; M722-M724 PolarHBondContact O-N 3.44Å; M722-Q725 PolarHBondContact O-N 2.82Å; M722-L726 WeakPolarHBondContact O-CB 3.47Å; M722-L726 PolarHBondContact O-N 2.93Å
723A87.2Confident80.3Confident0 Ų069 Ų690%035%0.346CS..Hα-helixtrans-61.8-40.7171.400000112.2L695 L699 L719 F720 L726 L727 F748L695-A723 HydrophobicContact CD1-CB 3.9Å; L699-A723 HydrophobicContact CD2-CB 3.95Å; L719-A723 WeakPolarHBondContact O-CB 3.41Å; L719-A723 PolarHBondContact O-N 3.31Å; F720-A723 PolarHBondContact O-N 3.42Å; A723-L726 PolarHBondContact O-N 3.24Å; A723-L727 WeakPolarHBondContact O-CG 3.39Å; A723-L727 PolarHBondContact O-N 3.29Å; A723-F748 HydrophobicContact CB-CE1 4.45Å; A723-F748 HydrophobicContact CB-CZ 4.4Å
724M85.1Confident80.7Confident53 Ų5364.6 Ų64.626%0.26132%0.321SS..Hα-helixtrans-66.1-40.8172.6-75.6-53.5-61.400112.5F720 Q721 M722 L726 L727 S728 F748 K750F720-M724 PolarHBondContact O-N 2.85Å; Q721-M724 PolarHBondContact O-N 3.13Å; M722-M724 PolarHBondContact O-N 3.44Å; M724-L726 VanDerWaalsContact C-N 3.26Å; M724-L726 PolarHBondContact O-N 3.47Å; M724-L727 PolarHBondContact O-N 3.3Å; M724-S728 VanDerWaalsContact O-CB 3.27Å; M724-S728 WeakPolarHBondContact O-CB 3.41Å; M724-S728 PolarHBondContact O-N 3.08Å; M724-S728 PolarHBondContact O-OG 3.27Å; M724-F748 HydrophobicContact CG-CZ 3.75Å; M724-F748 HydrophobicContact SD-CE1 3.77Å; M724-F748 HydrophobicContact SD-CZ 3.43Å; M724-F748 WeakPolarHBondContact SD-CZ 3.31Å; M724-K750 HydrophobicContact SD-CB 4.29Å
725Q84.8Confident80.9Confident110 Ų11061.8 Ų61.851%0.51431%0.31SS..Hα-helixtrans-60.2-40.6176.1-76.4173.6-17.700111.1Q721 M722 S728 N729Q721-Q725 WeakPolarHBondContact O-CG 3Å; Q721-Q725 PolarHBondContact O-N 3.5Å; M722-Q725 PolarHBondContact O-N 2.82Å; Q725-S728 WeakPolarHBondContact CA-OG 3.4Å; Q725-S728 PolarHBondContact O-N 3.19Å; Q725-S728 PolarHBondContact O-OG 2.99Å; Q725-N729 WeakPolarHBondContact O-CB 3.48Å; Q725-N729 PolarHBondContact O-N 3.45Å
726L83.6Confident81.1Confident9 Ų959.9 Ų59.95%0.04730%0.302CS..Hα-helixtrans-65.5-42.4176.8179.1156.4000112.5V691 F694 L695 L698 M722 A723 M724 L732V691-L726 HydrophobicContact CG1-CD1 3.98Å; V691-L726 HydrophobicContact CG1-CD2 3.24Å; V691-L726 HydrophobicContact CG1-CG 3.69Å; F694-L726 HydrophobicContact CD1-CD1 3.35Å; F694-L726 HydrophobicContact CE1-CD1 3.9Å; F694-L726 HydrophobicContact CG-CD1 4.35Å; L695-L726 HydrophobicContact CB-CD2 4.2Å; L695-L726 HydrophobicContact CD1-CD2 4.26Å; L698-L726 HydrophobicContact CD1-CD1 4.24Å; M722-L726 WeakPolarHBondContact O-CB 3.47Å; M722-L726 PolarHBondContact O-N 2.93Å; A723-L726 PolarHBondContact O-N 3.24Å; M724-L726 VanDerWaalsContact C-N 3.26Å; M724-L726 PolarHBondContact O-N 3.47Å; L726-L732 HydrophobicContact CG-CD1 4.38Å
727L84.3Confident81.4Confident0 Ų067.1 Ų67.10%033%0.333CS..Hα-helixtrans-70.6-36.2175.6-68.2175.9000112.8L695 A723 M724 N729 Y734 A739 F748 Y754 L755L695-L727 HydrophobicContact CD1-CG 4.41Å; L695-L727 HydrophobicContact CD2-CD2 3.9Å; A723-L727 WeakPolarHBondContact O-CG 3.39Å; A723-L727 PolarHBondContact O-N 3.29Å; M724-L727 PolarHBondContact O-N 3.3Å; L727-N729 VanDerWaalsContact C-N 3.32Å; L727-Y734 HydrophobicContact CD2-CE1 4.43Å; L727-Y734 HydrophobicContact CD2-CE2 3.88Å; L727-Y734 PolarHBondContact O-OH 2.91Å; L727-A739 HydrophobicContact CD2-CB 4.3Å; L727-F748 HydrophobicContact CD1-CE1 3.96Å; L727-Y754 HydrophobicContact CB-CD1 3.96Å; L727-Y754 HydrophobicContact CB-CE1 3.91Å; L727-Y754 WeakPolarHBondContact O-CE1 3.25Å; L727-Y754 PolarHBondContact O-OH 3.2Å; L727-L755 HydrophobicContact CD2-CD1 4.31Å; L727-L755 HydrophobicContact CD2-CD2 4.2Å
728S83.1Confident81.4Confident59 Ų5967.4 Ų67.441%0.41333%0.327SS..Hα-helixtrans-78.7-14.1-178.857.30000114.1M724 Q725 N730 Y754M724-S728 VanDerWaalsContact O-CB 3.27Å; M724-S728 WeakPolarHBondContact O-CB 3.41Å; M724-S728 PolarHBondContact O-N 3.08Å; M724-S728 PolarHBondContact O-OG 3.27Å; Q725-S728 WeakPolarHBondContact CA-OG 3.4Å; Q725-S728 PolarHBondContact O-N 3.19Å; Q725-S728 PolarHBondContact O-OG 2.99Å; S728-N730 PolarHBondContact O-N 2.7Å; S728-N730 VanDerWaalsContact O-N 3.13Å; S728-Y754 WeakPolarHBondContact CA-OH 3.45Å
729N80.4Confident81.5Confident61 Ų6161.6 Ų61.633%0.32630%0.3SS..  trans-75.3103.2176.8-170.2-10.9000110.8Q725 L727 E731 L732Q725-N729 WeakPolarHBondContact O-CB 3.48Å; Q725-N729 PolarHBondContact O-N 3.45Å; L727-N729 VanDerWaalsContact C-N 3.32Å; N729-E731 PolarHBondContact O-N 3.25Å; N729-E731 WeakPolarHBondContact OD1-CB 3.23Å; N729-E731 PolarHBondContact OD1-N 2.91Å; N729-L732 HydrophobicContact CB-CD1 3.87Å; N729-L732 HydrophobicContact CB-CG 4.05Å; N729-L732 PolarHBondContact O-N 3.08Å
730N71.6Confident81.5Confident122 Ų12261.6 Ų61.665%0.65230%0.3SS*.THydrogen-bonded Turntrans-66.9-15.7179.4-73.2-23.8000114.1S728 L732S728-N730 PolarHBondContact O-N 2.7Å; S728-N730 VanDerWaalsContact O-N 3.13Å; N730-L732 VanDerWaalsContact C-N 3.33Å
731E69.8Low81.6Confident125 Ų12564.5 Ų64.558%0.58432%0.32SS*.THydrogen-bonded Turntrans-78.4-20.5176.3-58.1-174.2169.800112.4P683 N729 H733P683-E731 HydrophobicContact CB-CB 4.26Å; P683-E731 HydrophobicContact CG-CB 4.43Å; N729-E731 PolarHBondContact O-N 3.25Å; N729-E731 WeakPolarHBondContact OD1-CB 3.23Å; N729-E731 PolarHBondContact OD1-N 2.91Å; E731-H733 PolarHBondContact O-N 3.47Å
732L69.6Low81.6Confident15 Ų1559.7 Ų59.78%0.07930%0.298CS..SBendtrans-85.7114.3180-65.1177.1000110.3I678 V691 L726 N729 N730 Y734I678-L732 HydrophobicContact CG2-CD1 4.06Å; I678-L732 HydrophobicContact CG2-CD2 3.85Å; V691-L732 HydrophobicContact CG2-CB 4.47Å; V691-L732 HydrophobicContact CG2-CD2 4.46Å; L726-L732 HydrophobicContact CG-CD1 4.38Å; N729-L732 HydrophobicContact CB-CD1 3.87Å; N729-L732 HydrophobicContact CB-CG 4.05Å; N729-L732 PolarHBondContact O-N 3.08Å; N730-L732 VanDerWaalsContact C-N 3.33Å; L732-Y734 WeakPolarHBondContact O-CD1 3.26Å; L732-Y734 PolarHBondContact O-N 3.5Å
733H69.7Low81.7Confident121 Ų12157.2 Ų57.256%0.5629%0.286SS*.  trans-78.2111.7168.7-62.2-67.4000109.4T688 E731T688-H733 VanDerWaalsContact CA-O 3.28Å; T688-H733 WeakPolarHBondContact CA-O 3.21Å; T688-H733 HydrophobicContact CG2-CB 3.52Å; T688-H733 WeakPolarHBondContact CG2-O 3.45Å; E731-H733 PolarHBondContact O-N 3.47Å
734Y78Confident81.7Confident19 Ų1962.2 Ų62.28%0.07531%0.309CS..  trans-128.1156.5170.962.1-94.2000110V691 L727 L732 E736 A739 L755 K758V691-Y734 HydrophobicContact CG1-CD1 4.28Å; V691-Y734 HydrophobicContact CG1-CG 4.22Å; L727-Y734 HydrophobicContact CD2-CE1 4.43Å; L727-Y734 HydrophobicContact CD2-CE2 3.88Å; L727-Y734 PolarHBondContact O-OH 2.91Å; L732-Y734 WeakPolarHBondContact O-CD1 3.26Å; L732-Y734 PolarHBondContact O-N 3.5Å; Y734-E736 HydrophobicContact CD2-CG 4.34Å; Y734-E736 HydrophobicContact CE2-CB 4.33Å; Y734-E736 HydrophobicContact CE2-CG 3.87Å; Y734-E736 PolarHBondContact O-N 3.32Å; Y734-E736 VanDerWaalsContact O-N 3.09Å; Y734-A739 HydrophobicContact CD2-CB 3.71Å; Y734-A739 HydrophobicContact CE2-CB 3.86Å; Y734-L755 HydrophobicContact CE2-CD2 3.64Å; Y734-L755 WeakPolarHBondContact OH-CD2 3.26Å; Y734-K758 PolarHBondContact OH-NZ 2.84Å
735D82.2Confident81.7Confident80 Ų8066.1 Ų66.143%0.42833%0.327SS..  trans-74.9103.9175.9178.6-12.9000108.8D692 K737 K738 A739D692-D735 PolarHBondContact OD1-N 2.7Å; D735-K737 VanDerWaalsContact C-N 3.25Å; D735-K737 PolarHBondContact O-N 2.86Å; D735-K737 WeakPolarHBondContact OD1-CB 3.37Å; D735-K737 PolarHBondContact OD1-N 2.94Å; D735-K738 HydrophobicContact CB-CB 3.85Å; D735-K738 PolarHBondContact O-N 3.5Å; D735-K738 PolarHBondContact OD1-N 3.22Å; D735-K738 VanDerWaalsContact OD1-N 3.16Å; D735-A739 WeakPolarHBondContact O-CB 3.48Å; D735-A739 PolarHBondContact O-N 3.19Å
736E83.4Confident81.7Confident56 Ų5663.7 Ų63.726%0.26231%0.313SS..Hα-helixtrans-60.7-32.6-176.9-58.6-177.3167.800113Y734 L740 K758 Q759Y734-E736 HydrophobicContact CD2-CG 4.34Å; Y734-E736 HydrophobicContact CE2-CB 4.33Å; Y734-E736 HydrophobicContact CE2-CG 3.87Å; Y734-E736 PolarHBondContact O-N 3.32Å; Y734-E736 VanDerWaalsContact O-N 3.09Å; E736-L740 VanDerWaalsContact O-CB 3.31Å; E736-L740 WeakPolarHBondContact O-CB 3.38Å; E736-L740 PolarHBondContact O-N 3.25Å; E736-K758 VanDerWaalsContact OE1-CD 3.25Å; E736-K758 WeakPolarHBondContact OE1-CD 3.24Å; E736-K758 WeakPolarHBondContact OE1-CE 3.3Å; E736-K758 IonicContact OE1-NZ 2.85Å; E736-K758 PolarHBondContact OE1-NZ 2.96Å; E736-Q759 HydrophobicContact CB-CG 4.33Å; E736-Q759 PolarHBondContact O-NE2 2.9Å; E736-Q759 VanDerWaalsContact OE2-CG 3.27Å; E736-Q759 WeakPolarHBondContact OE2-CG 3.13Å
737K85.3Confident81.7Confident153 Ų15370.8 Ų70.867%0.66534%0.343SS*.Hα-helixtrans-70.8-42.8177.2-66.3-179.6-179.8177.10110.5D735 L740 V741D735-K737 VanDerWaalsContact C-N 3.25Å; D735-K737 PolarHBondContact O-N 2.86Å; D735-K737 WeakPolarHBondContact OD1-CB 3.37Å; D735-K737 PolarHBondContact OD1-N 2.94Å; K737-L740 WeakPolarHBondContact O-CB 3.41Å; K737-L740 PolarHBondContact O-N 2.99Å; K737-V741 WeakPolarHBondContact O-CG2 3.47Å; K737-V741 PolarHBondContact O-N 3.49Å; K737-V741 VanDerWaalsContact O-N 3.09Å
738K83.7Confident81.9Confident88 Ų8871.4 Ų71.438%0.38335%0.346SS..Hα-helixtrans-68.5-43.1177.5-174.9170.7159.8-147.70111.6D692 D735 L740 V741 I742D692-K738 HydrophobicContact CB-CD 4.41Å; D692-K738 VanDerWaalsContact OD2-CD 3.3Å; D692-K738 WeakPolarHBondContact OD2-CD 3.15Å; D692-K738 WeakPolarHBondContact OD2-CE 3.4Å; D692-K738 IonicContact OD2-NZ 2.73Å; D692-K738 PolarHBondContact OD2-NZ 3.35Å; D735-K738 HydrophobicContact CB-CB 3.85Å; D735-K738 PolarHBondContact O-N 3.5Å; D735-K738 PolarHBondContact OD1-N 3.22Å; D735-K738 VanDerWaalsContact OD1-N 3.16Å; K738-L740 PolarHBondContact O-N 2.74Å; K738-V741 PolarHBondContact O-N 3.3Å; K738-I742 HydrophobicContact CG-CD1 4.06Å; K738-I742 VanDerWaalsContact O-CG1 3.29Å; K738-I742 WeakPolarHBondContact O-CG1 2.99Å; K738-I742 PolarHBondContact O-N 2.58Å
739A86.3Confident82.1Confident0 Ų072 Ų720%034%0.34CS..Hα-helixtrans-56.5-41.3172.200000111.1L695 L727 Y734 D735 V741 I742 C743 L755L695-A739 HydrophobicContact CD2-CB 3.92Å; L727-A739 HydrophobicContact CD2-CB 4.3Å; Y734-A739 HydrophobicContact CD2-CB 3.71Å; Y734-A739 HydrophobicContact CE2-CB 3.86Å; D735-A739 WeakPolarHBondContact O-CB 3.48Å; D735-A739 PolarHBondContact O-N 3.19Å; A739-V741 PolarHBondContact O-N 3.12Å; A739-I742 PolarHBondContact O-N 3.22Å; A739-C743 WeakPolarHBondContact O-CB 3.48Å; A739-C743 PolarHBondContact O-N 3.34Å; A739-C743 PolarHBondContact O-SG 3.32Å; A739-L755 HydrophobicContact CB-CD1 3.75Å
740L86.5Confident82.3Confident26 Ų2676.8 Ų76.814%0.13636%0.358CS..Hα-helixtrans-62.6-44.4177.1-177.970.7000112.1E736 K737 K738 I742 C743 H744 C752 L755 W756E736-L740 VanDerWaalsContact O-CB 3.31Å; E736-L740 WeakPolarHBondContact O-CB 3.38Å; E736-L740 PolarHBondContact O-N 3.25Å; K737-L740 WeakPolarHBondContact O-CB 3.41Å; K737-L740 PolarHBondContact O-N 2.99Å; K738-L740 PolarHBondContact O-N 2.74Å; L740-I742 VanDerWaalsContact C-N 3.34Å; L740-I742 PolarHBondContact O-N 3.44Å; L740-C743 PolarHBondContact O-N 3.03Å; L740-H744 VanDerWaalsContact O-CB 3.27Å; L740-H744 WeakPolarHBondContact O-CB 3.21Å; L740-H744 PolarHBondContact O-N 2.73Å; L740-C752 HydrophobicContact CD1-CB 4.13Å; L740-L755 HydrophobicContact CB-CB 4.49Å; L740-L755 HydrophobicContact CB-CD1 4.05Å; L740-L755 HydrophobicContact CD1-CB 3.92Å; L740-L755 HydrophobicContact CD1-CD1 4.39Å; L740-W756 HydrophobicContact CD1-CD2 4.37Å; L740-W756 HydrophobicContact CD1-CG 4.23Å; L740-W756 HydrophobicContact CD1-CZ2 4.46Å; L740-W756 VanDerWaalsContact CD1-NE1 3.34Å
741V87.1Confident83.1Confident93 Ų9371 Ų7156%0.56433%0.327SS*.Hα-helixtrans-60.9-44.7175.5173.40000110.8K737 K738 A739 H744 Q745K737-V741 WeakPolarHBondContact O-CG2 3.47Å; K737-V741 PolarHBondContact O-N 3.49Å; K737-V741 VanDerWaalsContact O-N 3.09Å; K738-V741 PolarHBondContact O-N 3.3Å; A739-V741 PolarHBondContact O-N 3.12Å; V741-H744 PolarHBondContact O-N 3.41Å; V741-Q745 VanDerWaalsContact O-CB 3.27Å; V741-Q745 WeakPolarHBondContact O-CB 3.46Å; V741-Q745 PolarHBondContact O-N 2.92Å
742I85.8Confident83.9Confident12 Ų1265 Ų656%0.06230%0.299CS..Hα-helixtrans-62.1-49.7178.4-65.9164.9000110.3D692 L695 E696 L699 K738 A739 L740 H744 Q745 R746D692-I742 HydrophobicContact CB-CD1 4.28Å; L695-I742 HydrophobicContact CG-CG2 4.49Å; E696-I742 HydrophobicContact CB-CD1 4.41Å; E696-I742 HydrophobicContact CB-CG2 4.05Å; E696-I742 HydrophobicContact CG-CG2 4.35Å; L699-I742 HydrophobicContact CD1-CG2 4.09Å; K738-I742 HydrophobicContact CG-CD1 4.06Å; K738-I742 VanDerWaalsContact O-CG1 3.29Å; K738-I742 WeakPolarHBondContact O-CG1 2.99Å; K738-I742 PolarHBondContact O-N 2.58Å; A739-I742 PolarHBondContact O-N 3.22Å; L740-I742 VanDerWaalsContact C-N 3.34Å; L740-I742 PolarHBondContact O-N 3.44Å; I742-H744 VanDerWaalsContact C-N 3.31Å; I742-H744 PolarHBondContact O-N 2.85Å; I742-Q745 PolarHBondContact O-N 3.2Å; I742-R746 HydrophobicContact CG2-CG 4.45Å; I742-R746 WeakPolarHBondContact O-CB 3.34Å; I742-R746 VanDerWaalsContact O-CG 3.28Å; I742-R746 WeakPolarHBondContact O-CG 3.21Å; I742-R746 PolarHBondContact O-N 3.3Å
743C88.6Confident84.8Confident0 Ų065.7 Ų65.70%030%0.302CS..Hα-helixtrans-59.1-43.7177.7-66.10000111.2A739 L740 R746 K747 F748 C752A739-C743 WeakPolarHBondContact O-CB 3.48Å; A739-C743 PolarHBondContact O-N 3.34Å; A739-C743 PolarHBondContact O-SG 3.32Å; L740-C743 PolarHBondContact O-N 3.03Å; C743-R746 CarbonylContact O-C 3.54Å; C743-R746 PolarHBondContact O-N 3.38Å; C743-K747 PolarHBondContact O-N 2.9Å; C743-K747 VanDerWaalsContact O-N 3.1Å; C743-F748 HydrophobicContact CB-CB 4.32Å; C743-F748 HydrophobicContact CB-CD1 4.26Å; C743-F748 PolarHBondContact O-N 3.38Å; C743-C752 VanDerWaalsContact C-SG 3.53Å; C743-C752 VanDerWaalsContact CB-SG 3.51Å
744H86Confident85.7Confident105 Ų10562.5 Ų62.549%0.48629%0.286SS..Hα-helixtrans-66.2-48.1-180-171.278.2000111.9L740 V741 I742 R746 K747 C752L740-H744 VanDerWaalsContact O-CB 3.27Å; L740-H744 WeakPolarHBondContact O-CB 3.21Å; L740-H744 PolarHBondContact O-N 2.73Å; V741-H744 PolarHBondContact O-N 3.41Å; I742-H744 VanDerWaalsContact C-N 3.31Å; I742-H744 PolarHBondContact O-N 2.85Å; H744-R746 VanDerWaalsContact C-N 3.26Å; H744-R746 PolarHBondContact O-N 3.34Å; H744-K747 PolarHBondContact O-N 3.39Å; H744-C752 PolarHBondContact N-SG 3.06Å; H744-C752 VanDerWaalsContact N-SG 3.39Å
745Q86.7Confident86.1Confident134 Ų13461.6 Ų61.663%0.62628%0.282SS*.Hα-helixtrans-61.5-35.9179-173178.97.300112.1V741 I742 K747V741-Q745 VanDerWaalsContact O-CB 3.27Å; V741-Q745 WeakPolarHBondContact O-CB 3.46Å; V741-Q745 PolarHBondContact O-N 2.92Å; I742-Q745 PolarHBondContact O-N 3.2Å; Q745-K747 VanDerWaalsContact C-N 3.32Å
746R84.6Confident86.4Confident59 Ų5958.7 Ų58.722%0.22327%0.265CS..THydrogen-bonded Turntrans-899.7177.7-59.5-66-176.8-170.1-0.2113.2E696 L699 N703 I742 C743 H744 F748E696-R746 IonicContact OE1-NH2 3.86Å; E696-R746 PolarHBondContact OE1-NH2 2.89Å; L699-R746 HydrophobicContact CB-CB 4.02Å; L699-R746 HydrophobicContact CB-CG 4.05Å; L699-R746 HydrophobicContact CD1-CB 4.34Å; N703-R746 PolarHBondContact ND2-O 3.09Å; I742-R746 HydrophobicContact CG2-CG 4.45Å; I742-R746 WeakPolarHBondContact O-CB 3.34Å; I742-R746 VanDerWaalsContact O-CG 3.28Å; I742-R746 WeakPolarHBondContact O-CG 3.21Å; I742-R746 PolarHBondContact O-N 3.3Å; C743-R746 CarbonylContact O-C 3.54Å; C743-R746 PolarHBondContact O-N 3.38Å; H744-R746 VanDerWaalsContact C-N 3.26Å; H744-R746 PolarHBondContact O-N 3.34Å; R746-F748 PolarHBondContact O-N 2.96Å
747K83.8Confident86.6Confident159 Ų15959.9 Ų59.969%0.69127%0.271SS*.THydrogen-bonded Turntrans56.226.1-179.7-58.8-177.7179.3179.50114.8C743 H744 Q745 Y749C743-K747 PolarHBondContact O-N 2.9Å; C743-K747 VanDerWaalsContact O-N 3.1Å; H744-K747 PolarHBondContact O-N 3.39Å; Q745-K747 VanDerWaalsContact C-N 3.32Å; K747-Y749 VanDerWaalsContact C-N 3.31Å; K747-Y749 HydrophobicContact CB-CE2 3.96Å; K747-Y749 HydrophobicContact CG-CE2 4.48Å; K747-Y749 VanDerWaalsContact O-CD2 3.25Å; K747-Y749 WeakPolarHBondContact O-CD2 3.43Å; K747-Y749 PolarHBondContact O-N 3.48Å
748F88.3Confident86.5Confident13 Ų1356.2 Ų56.26%0.05726%0.255CS..  trans-85.470.8177.1-175.1-120.5000111.1L699 F720 A723 M724 L727 C743 R746 K750 G751 C752L699-F748 HydrophobicContact CD1-CB 4.11Å; L699-F748 HydrophobicContact CD1-CD1 4.15Å; L699-F748 HydrophobicContact CD1-CG 4.34Å; L699-F748 HydrophobicContact CD2-CB 3.89Å; L699-F748 HydrophobicContact CD2-CD1 3.82Å; L699-F748 HydrophobicContact CD2-CD2 3.94Å; L699-F748 HydrophobicContact CD2-CE1 4.28Å; L699-F748 HydrophobicContact CD2-CE2 4.4Å; L699-F748 HydrophobicContact CD2-CG 3.61Å; F720-F748 HydrophobicContact CB-CE2 4.22Å; F720-F748 AromaticContact CD1-CD2 3.55Å; F720-F748 HydrophobicContact CD1-CD2 3.55Å; F720-F748 AromaticContact CD1-CE2 3.53Å; F720-F748 HydrophobicContact CD1-CE2 3.53Å; F720-F748 HydrophobicContact CD1-CZ 4.48Å; F720-F748 AromaticContact CE1-CD2 3.82Å; F720-F748 HydrophobicContact CE1-CD2 3.82Å; F720-F748 HydrophobicContact CE1-CE2 4.28Å; F720-F748 HydrophobicContact CG-CE2 4.21Å; A723-F748 HydrophobicContact CB-CE1 4.45Å; A723-F748 HydrophobicContact CB-CZ 4.4Å; M724-F748 HydrophobicContact CG-CZ 3.75Å; M724-F748 HydrophobicContact SD-CE1 3.77Å; M724-F748 HydrophobicContact SD-CZ 3.43Å; M724-F748 WeakPolarHBondContact SD-CZ 3.31Å; L727-F748 HydrophobicContact CD1-CE1 3.96Å; C743-F748 HydrophobicContact CB-CB 4.32Å; C743-F748 HydrophobicContact CB-CD1 4.26Å; C743-F748 PolarHBondContact O-N 3.38Å; R746-F748 PolarHBondContact O-N 2.96Å; F748-K750 VanDerWaalsContact C-N 3.3Å; F748-K750 HydrophobicContact CE2-CB 4.33Å; F748-K750 HydrophobicContact CZ-CB 4.45Å; F748-K750 PolarHBondContact O-N 3.32Å; F748-G751 VanDerWaalsContact CE1-CA 3.45Å; F748-G751 PolarHBondContact O-N 3.02Å; F748-G751 VanDerWaalsContact O-N 3.12Å; F748-C752 PolarHBondContact O-N 3.46Å; F748-C752 VanDerWaalsContact O-N 3.11Å; F748-C752 PolarHBondContact O-SG 3.24Å
749Y86Confident86.6Confident72 Ų7254.2 Ų54.228%0.28225%0.247SC..Hα-helixtrans-65.9-27.7-172.3-63.8-72.9000114.3K747 G751 C752 I753 Y768K747-Y749 VanDerWaalsContact C-N 3.31Å; K747-Y749 HydrophobicContact CB-CE2 3.96Å; K747-Y749 HydrophobicContact CG-CE2 4.48Å; K747-Y749 VanDerWaalsContact O-CD2 3.25Å; K747-Y749 WeakPolarHBondContact O-CD2 3.43Å; K747-Y749 PolarHBondContact O-N 3.48Å; Y749-G751 VanDerWaalsContact C-N 3.29Å; Y749-G751 PolarHBondContact O-N 3.28Å; Y749-C752 WeakPolarHBondContact O-CB 3.45Å; Y749-C752 PolarHBondContact O-N 2.91Å; Y749-C752 VanDerWaalsContact O-N 3.17Å; Y749-I753 VanDerWaalsContact O-CG1 3.26Å; Y749-I753 WeakPolarHBondContact O-CG1 3.5Å; Y749-I753 PolarHBondContact O-N 3.38Å; Y749-Y768 WeakPolarHBondContact CB-OH 3.24Å; Y749-Y768 AromaticContact CD1-CD2 3.84Å; Y749-Y768 HydrophobicContact CD1-CD2 3.84Å; Y749-Y768 AromaticContact CD1-CE2 3.24Å; Y749-Y768 HydrophobicContact CD1-CE2 3.24Å; Y749-Y768 AromaticContact CD1-CZ 3.88Å; Y749-Y768 HydrophobicContact CD2-CE2 4.25Å; Y749-Y768 HydrophobicContact CE1-CD2 4.14Å; Y749-Y768 AromaticContact CE1-CE2 3.65Å; Y749-Y768 HydrophobicContact CE1-CE2 3.65Å; Y749-Y768 AromaticContact CG-CE2 3.58Å; Y749-Y768 HydrophobicContact CG-CE2 3.58Å; Y749-Y768 AromaticContact CG-CZ 3.76Å
750K85.9Confident86.6Confident161 Ų16160.6 Ų60.670%0.728%0.275SS*.Hα-helixtrans-58.8-42.4172.4-71.2-174.8178.3178.90111.5M724 F748 Y754M724-K750 HydrophobicContact SD-CB 4.29Å; F748-K750 VanDerWaalsContact C-N 3.3Å; F748-K750 HydrophobicContact CE2-CB 4.33Å; F748-K750 HydrophobicContact CZ-CB 4.45Å; F748-K750 PolarHBondContact O-N 3.32Å; K750-Y754 PolarHBondContact O-N 3.09Å
751G87.4Confident86.5Confident0 Ų062.7 Ų62.70%029%0.285CS..Hα-helixtrans-68.9-39.517300000112.7F748 Y749 I753 Y754 L755F748-G751 VanDerWaalsContact CE1-CA 3.45Å; F748-G751 PolarHBondContact O-N 3.02Å; F748-G751 VanDerWaalsContact O-N 3.12Å; Y749-G751 VanDerWaalsContact C-N 3.29Å; Y749-G751 PolarHBondContact O-N 3.28Å; G751-I753 PolarHBondContact O-N 3.44Å; G751-Y754 PolarHBondContact O-N 2.89Å; G751-L755 WeakPolarHBondContact O-CB 3.49Å; G751-L755 VanDerWaalsContact O-CG 3.31Å; G751-L755 WeakPolarHBondContact O-CG 3.47Å; G751-L755 PolarHBondContact O-N 3.29Å
752C87.9Confident86.5Confident0 Ų059 Ų590%026%0.261CS..Hα-helixtrans-59.5-45.2175.8-61.70000112.3L740 C743 H744 F748 Y749 L755 W756L740-C752 HydrophobicContact CD1-CB 4.13Å; C743-C752 VanDerWaalsContact C-SG 3.53Å; C743-C752 VanDerWaalsContact CB-SG 3.51Å; H744-C752 PolarHBondContact N-SG 3.06Å; H744-C752 VanDerWaalsContact N-SG 3.39Å; F748-C752 PolarHBondContact O-N 3.46Å; F748-C752 VanDerWaalsContact O-N 3.11Å; F748-C752 PolarHBondContact O-SG 3.24Å; Y749-C752 WeakPolarHBondContact O-CB 3.45Å; Y749-C752 PolarHBondContact O-N 2.91Å; Y749-C752 VanDerWaalsContact O-N 3.17Å; C752-L755 PolarHBondContact O-N 3.3Å; C752-W756 HydrophobicContact CB-CD2 4.34Å; C752-W756 HydrophobicContact CB-CE3 4.15Å; C752-W756 HydrophobicContact CB-CH2 3.82Å; C752-W756 HydrophobicContact CB-CZ2 4.02Å; C752-W756 HydrophobicContact CB-CZ3 3.89Å; C752-W756 WeakPolarHBondContact O-CB 3.47Å; C752-W756 PolarHBondContact O-N 3.21Å
753I87Confident86.5Confident29 Ų2959.6 Ų59.615%0.14927%0.265CS..Hα-helixtrans-60.4-50.2178-66.1161.8000109.8Y749 G751 L755 W756 E757 Y768Y749-I753 VanDerWaalsContact O-CG1 3.26Å; Y749-I753 WeakPolarHBondContact O-CG1 3.5Å; Y749-I753 PolarHBondContact O-N 3.38Å; G751-I753 PolarHBondContact O-N 3.44Å; I753-L755 VanDerWaalsContact C-N 3.31Å; I753-L755 PolarHBondContact O-N 3.24Å; I753-W756 HydrophobicContact CG1-CE3 4.29Å; I753-W756 HydrophobicContact CG1-CZ3 4.3Å; I753-W756 PolarHBondContact O-N 2.89Å; I753-E757 HydrophobicContact CG2-CG 4.49Å; I753-E757 WeakPolarHBondContact O-CG 3.49Å; I753-E757 PolarHBondContact O-N 2.86Å; I753-Y768 HydrophobicContact CD1-CD1 4.24Å; I753-Y768 HydrophobicContact CD1-CE1 3.87Å; I753-Y768 HydrophobicContact CG1-CD1 4.31Å; I753-Y768 HydrophobicContact CG1-CE1 4.36Å
754Y88.5Confident86.3Confident54 Ų5463.3 Ų63.321%0.21228%0.282CS..Hα-helixtrans-56.1-44.1177.1174.2-97.7000112.6L727 S728 K750 G751 E757 K758L727-Y754 HydrophobicContact CB-CD1 3.96Å; L727-Y754 HydrophobicContact CB-CE1 3.91Å; L727-Y754 WeakPolarHBondContact O-CE1 3.25Å; L727-Y754 PolarHBondContact O-OH 3.2Å; S728-Y754 WeakPolarHBondContact CA-OH 3.45Å; K750-Y754 PolarHBondContact O-N 3.09Å; G751-Y754 PolarHBondContact O-N 2.89Å; Y754-E757 PolarHBondContact O-N 3.2Å; Y754-K758 HydrophobicContact CE1-CD 4.32Å; Y754-K758 WeakPolarHBondContact O-CB 3.44Å; Y754-K758 PolarHBondContact O-N 3.03Å
755L87.6Confident86.3Confident0 Ų058.3 Ų58.30%026%0.259CS..Hα-helixtrans-70.6-38.3179.1-70.1174.7000112.8L727 Y734 A739 L740 G751 C752 I753 E757 K758 Q759L727-L755 HydrophobicContact CD2-CD1 4.31Å; L727-L755 HydrophobicContact CD2-CD2 4.2Å; Y734-L755 HydrophobicContact CE2-CD2 3.64Å; Y734-L755 WeakPolarHBondContact OH-CD2 3.26Å; A739-L755 HydrophobicContact CB-CD1 3.75Å; L740-L755 HydrophobicContact CB-CB 4.49Å; L740-L755 HydrophobicContact CB-CD1 4.05Å; L740-L755 HydrophobicContact CD1-CB 3.92Å; L740-L755 HydrophobicContact CD1-CD1 4.39Å; G751-L755 WeakPolarHBondContact O-CB 3.49Å; G751-L755 VanDerWaalsContact O-CG 3.31Å; G751-L755 WeakPolarHBondContact O-CG 3.47Å; G751-L755 PolarHBondContact O-N 3.29Å; C752-L755 PolarHBondContact O-N 3.3Å; I753-L755 VanDerWaalsContact C-N 3.31Å; I753-L755 PolarHBondContact O-N 3.24Å; L755-E757 VanDerWaalsContact C-N 3.33Å; L755-K758 PolarHBondContact O-N 2.81Å; L755-Q759 WeakPolarHBondContact O-CB 3.41Å; L755-Q759 WeakPolarHBondContact O-CG 3.14Å; L755-Q759 PolarHBondContact O-N 3.28Å
756W88.5Confident86.3Confident18 Ų1851.9 Ų51.97%0.06823%0.229CC..Hα-helixtrans-64.3-39.2174.2-69.6-36.3000111.8L740 C752 I753 K760 L761 Q764 I765 Y768L740-W756 HydrophobicContact CD1-CD2 4.37Å; L740-W756 HydrophobicContact CD1-CG 4.23Å; L740-W756 HydrophobicContact CD1-CZ2 4.46Å; L740-W756 VanDerWaalsContact CD1-NE1 3.34Å; C752-W756 HydrophobicContact CB-CD2 4.34Å; C752-W756 HydrophobicContact CB-CE3 4.15Å; C752-W756 HydrophobicContact CB-CH2 3.82Å; C752-W756 HydrophobicContact CB-CZ2 4.02Å; C752-W756 HydrophobicContact CB-CZ3 3.89Å; C752-W756 WeakPolarHBondContact O-CB 3.47Å; C752-W756 PolarHBondContact O-N 3.21Å; I753-W756 HydrophobicContact CG1-CE3 4.29Å; I753-W756 HydrophobicContact CG1-CZ3 4.3Å; I753-W756 PolarHBondContact O-N 2.89Å; W756-K760 PolarHBondContact O-N 2.88Å; W756-K760 VanDerWaalsContact O-N 3.08Å; W756-L761 HydrophobicContact CB-CB 4.35Å; W756-L761 PolarHBondContact O-N 2.97Å; W756-Q764 HydrophobicContact CD2-CB 4Å; W756-Q764 HydrophobicContact CG-CB 4.11Å; W756-Q764 HydrophobicContact CZ2-CB 4.31Å; W756-I765 HydrophobicContact CB-CD1 3.86Å; W756-I765 HydrophobicContact CB-CG1 3.39Å; W756-I765 HydrophobicContact CD2-CG1 4.36Å; W756-I765 HydrophobicContact CE3-CG1 4.09Å; W756-I765 HydrophobicContact CG-CG1 4.16Å; W756-Y768 HydrophobicContact CH2-CD2 4.37Å; W756-Y768 HydrophobicContact CH2-CG 4.23Å; W756-Y768 HydrophobicContact CZ3-CD1 4.35Å; W756-Y768 HydrophobicContact CZ3-CD2 4.38Å; W756-Y768 AromaticContact CZ3-CG 3.85Å; W756-Y768 HydrophobicContact CZ3-CG 3.85Å
757E86.6Confident86.4Confident82 Ų8254.4 Ų54.438%0.38324%0.239SC..Hα-helixtrans-63.4-46.5174.5-73.3-179.616100111.1I753 Y754 L755 Q759 K760 I765I753-E757 HydrophobicContact CG2-CG 4.49Å; I753-E757 WeakPolarHBondContact O-CG 3.49Å; I753-E757 PolarHBondContact O-N 2.86Å; Y754-E757 PolarHBondContact O-N 3.2Å; L755-E757 VanDerWaalsContact C-N 3.33Å; E757-Q759 VanDerWaalsContact C-N 3.34Å; E757-Q759 PolarHBondContact O-N 3.15Å; E757-K760 PolarHBondContact O-N 3.24Å; E757-K760 VanDerWaalsContact O-N 3.13Å; E757-I765 HydrophobicContact CB-CD1 4.43Å; E757-I765 HydrophobicContact CG-CD1 3.55Å
758K83.8Confident86.5Confident75 Ų7548.4 Ų48.433%0.32621%0.212SC..Hα-helixtrans-61.2-40.7178.6-162.1-179.6-174.7-153.50112.5Y734 E736 Y754 L755 K760Y734-K758 PolarHBondContact OH-NZ 2.84Å; E736-K758 VanDerWaalsContact OE1-CD 3.25Å; E736-K758 WeakPolarHBondContact OE1-CD 3.24Å; E736-K758 WeakPolarHBondContact OE1-CE 3.3Å; E736-K758 IonicContact OE1-NZ 2.85Å; E736-K758 PolarHBondContact OE1-NZ 2.96Å; Y754-K758 HydrophobicContact CE1-CD 4.32Å; Y754-K758 WeakPolarHBondContact O-CB 3.44Å; Y754-K758 PolarHBondContact O-N 3.03Å; L755-K758 PolarHBondContact O-N 2.81Å; K758-K760 VanDerWaalsContact C-N 3.31Å; K758-K760 PolarHBondContact O-N 2.79Å
759Q86.7Confident86.5Confident46 Ų4649.1 Ų49.122%0.21521%0.214CC..THydrogen-bonded Turntrans-83.1-0.2177.7-69.4-173.1-4.600114.5E736 L755 E757 L761E736-Q759 HydrophobicContact CB-CG 4.33Å; E736-Q759 PolarHBondContact O-NE2 2.9Å; E736-Q759 VanDerWaalsContact OE2-CG 3.27Å; E736-Q759 WeakPolarHBondContact OE2-CG 3.13Å; L755-Q759 WeakPolarHBondContact O-CB 3.41Å; L755-Q759 WeakPolarHBondContact O-CG 3.14Å; L755-Q759 PolarHBondContact O-N 3.28Å; E757-Q759 VanDerWaalsContact C-N 3.34Å; E757-Q759 PolarHBondContact O-N 3.15Å; Q759-L761 HydrophobicContact CB-CD1 4.01Å; Q759-L761 HydrophobicContact CB-CG 3.88Å; Q759-L761 PolarHBondContact O-N 3.4Å
760K85.2Confident86.5Confident135 Ų13547.3 Ų47.359%0.58721%0.209SC*.THydrogen-bonded Turntrans57.729.6-174.1-49.9-172.8178.9-177.50114W756 E757 K758 Y762W756-K760 PolarHBondContact O-N 2.88Å; W756-K760 VanDerWaalsContact O-N 3.08Å; E757-K760 PolarHBondContact O-N 3.24Å; E757-K760 VanDerWaalsContact O-N 3.13Å; K758-K760 VanDerWaalsContact C-N 3.31Å; K758-K760 PolarHBondContact O-N 2.79Å; K760-Y762 HydrophobicContact CB-CE1 4.33Å; K760-Y762 HydrophobicContact CB-CE2 3.79Å; K760-Y762 HydrophobicContact CG-CE2 4.49Å; K760-Y762 WeakPolarHBondContact CG-OH 3.32Å; K760-Y762 WeakPolarHBondContact O-CD2 3.42Å; K760-Y762 PolarHBondContact O-N 2.77Å; K760-Y762 VanDerWaalsContact O-N 3.08Å
761L85.6Confident86.4Confident69 Ų6943.5 Ų43.536%0.36120%0.203SC..  trans-85.857.2177.8-67.8177.1000111.4W756 Q759 D763 Q764 I765W756-L761 HydrophobicContact CB-CB 4.35Å; W756-L761 PolarHBondContact O-N 2.97Å; Q759-L761 HydrophobicContact CB-CD1 4.01Å; Q759-L761 HydrophobicContact CB-CG 3.88Å; Q759-L761 PolarHBondContact O-N 3.4Å; L761-D763 PolarHBondContact O-N 2.86Å; L761-Q764 HydrophobicContact CB-CG 4.39Å; L761-Q764 PolarHBondContact O-N 2.85Å; L761-I765 PolarHBondContact O-N 2.94Å
762Y87.2Confident86.2Confident16 Ų1648.2 Ų48.26%0.06323%0.225CC..Hα-helixtrans-60.8-30.1-172.8-51.1-53000113.9K760 Q764 I765 L766 Y785 Q788 M789K760-Y762 HydrophobicContact CB-CE1 4.33Å; K760-Y762 HydrophobicContact CB-CE2 3.79Å; K760-Y762 HydrophobicContact CG-CE2 4.49Å; K760-Y762 WeakPolarHBondContact CG-OH 3.32Å; K760-Y762 WeakPolarHBondContact O-CD2 3.42Å; K760-Y762 PolarHBondContact O-N 2.77Å; K760-Y762 VanDerWaalsContact O-N 3.08Å; Y762-Q764 VanDerWaalsContact C-N 3.29Å; Y762-Q764 PolarHBondContact O-N 2.94Å; Y762-I765 HydrophobicContact CD1-CD1 4.14Å; Y762-I765 WeakPolarHBondContact O-CB 3.37Å; Y762-I765 PolarHBondContact O-N 3.45Å; Y762-L766 WeakPolarHBondContact O-CB 3.4Å; Y762-L766 PolarHBondContact O-N 2.86Å; Y762-Y785 AromaticContact CD1-CD1 3.5Å; Y762-Y785 HydrophobicContact CD1-CD1 3.5Å; Y762-Y785 AromaticContact CD1-CD2 3.68Å; Y762-Y785 HydrophobicContact CD1-CD2 3.68Å; Y762-Y785 AromaticContact CD1-CE1 3.82Å; Y762-Y785 HydrophobicContact CD1-CE1 3.82Å; Y762-Y785 AromaticContact CD1-CE2 3.97Å; Y762-Y785 HydrophobicContact CD1-CE2 3.97Å; Y762-Y785 AromaticContact CD1-CG 3.41Å; Y762-Y785 HydrophobicContact CD1-CG 3.41Å; Y762-Y785 VanDerWaalsContact CD1-CG 3.41Å; Y762-Y785 HydrophobicContact CD2-CD1 4.2Å; Y762-Y785 HydrophobicContact CD2-CG 4.09Å; Y762-Y785 AromaticContact CE1-CD1 3.16Å; Y762-Y785 HydrophobicContact CE1-CD1 3.16Å; Y762-Y785 HydrophobicContact CE1-CD2 4.15Å; Y762-Y785 AromaticContact CE1-CE1 3.24Å; Y762-Y785 HydrophobicContact CE1-CE1 3.24Å; Y762-Y785 HydrophobicContact CE1-CE2 4.21Å; Y762-Y785 AromaticContact CE1-CG 3.64Å; Y762-Y785 HydrophobicContact CE1-CG 3.64Å; Y762-Y785 AromaticContact CE1-CZ 3.77Å; Y762-Y785 AromaticContact CE2-CD1 3.89Å; Y762-Y785 HydrophobicContact CE2-CD1 3.89Å; Y762-Y785 HydrophobicContact CE2-CG 4.26Å; Y762-Y785 HydrophobicContact CG-CD1 4.02Å; Y762-Y785 HydrophobicContact CG-CD2 4.14Å; Y762-Y785 AromaticContact CG-CG 3.66Å; Y762-Y785 HydrophobicContact CG-CG 3.66Å; Y762-Y785 AromaticContact CZ-CD1 3.36Å; Y762-Y785 AromaticContact CZ-CE1 3.73Å; Y762-Q788 HydrophobicContact CE2-CB 4.49Å; Y762-Q788 PolarHBondContact OH-OE1 3.41Å; Y762-M789 HydrophobicContact CD2-CB 4.47Å
763D84.7Confident85.9Confident25 Ų2552.3 Ų52.313%0.13425%0.247CC..Hα-helixtrans-63.9-34.5177176.163.4000112.1L761 R767 M789 L792 T795L761-D763 PolarHBondContact O-N 2.86Å; D763-R767 WeakPolarHBondContact O-CB 3.44Å; D763-R767 WeakPolarHBondContact O-CG 3.44Å; D763-R767 PolarHBondContact O-N 3.21Å; D763-R767 IonicContact OD1-CZ 2.82Å; D763-R767 IonicContact OD1-NH2 3.49Å; D763-R767 PolarHBondContact OD1-NH2 2.93Å; D763-R767 IonicContact OD2-CZ 3.07Å; D763-R767 IonicContact OD2-NE 3.14Å; D763-R767 IonicContact OD2-NH1 3.93Å; D763-R767 PolarHBondContact OD2-NH1 2.87Å; D763-R767 IonicContact OD2-NH2 2.71Å; D763-R767 PolarHBondContact OD2-NH2 3.02Å; D763-M789 HydrophobicContact CB-CE 3.76Å; D763-M789 HydrophobicContact CB-SD 4.46Å; D763-L792 VanDerWaalsContact CA-CD2 3.49Å; D763-L792 HydrophobicContact CB-CD2 3.98Å; D763-T795 PolarHBondContact OD1-OG1 3.23Å
764Q85Confident85.8Confident77 Ų7754.1 Ų54.136%0.3626%0.255SS..Hα-helixtrans-73.4-37175.8-60.2-61-14.200111.9W756 L761 Y762 L766 R767 Y768W756-Q764 HydrophobicContact CD2-CB 4Å; W756-Q764 HydrophobicContact CG-CB 4.11Å; W756-Q764 HydrophobicContact CZ2-CB 4.31Å; L761-Q764 HydrophobicContact CB-CG 4.39Å; L761-Q764 PolarHBondContact O-N 2.85Å; Y762-Q764 VanDerWaalsContact C-N 3.29Å; Y762-Q764 PolarHBondContact O-N 2.94Å; Q764-L766 VanDerWaalsContact C-N 3.34Å; Q764-R767 VanDerWaalsContact NE2-NH1 3.12Å; Q764-R767 PolarHBondContact O-N 2.75Å; Q764-Y768 WeakPolarHBondContact O-CB 3.34Å; Q764-Y768 PolarHBondContact O-N 3.37Å
765I85.9Confident85.6Confident0 Ų053.2 Ų53.20%025%0.254CS..Hα-helixtrans-59.8-48.9172.7-54.5179000109.6W756 E757 L761 Y762 R767 Y768 Y769 V781W756-I765 HydrophobicContact CB-CD1 3.86Å; W756-I765 HydrophobicContact CB-CG1 3.39Å; W756-I765 HydrophobicContact CD2-CG1 4.36Å; W756-I765 HydrophobicContact CE3-CG1 4.09Å; W756-I765 HydrophobicContact CG-CG1 4.16Å; E757-I765 HydrophobicContact CB-CD1 4.43Å; E757-I765 HydrophobicContact CG-CD1 3.55Å; L761-I765 PolarHBondContact O-N 2.94Å; Y762-I765 HydrophobicContact CD1-CD1 4.14Å; Y762-I765 WeakPolarHBondContact O-CB 3.37Å; Y762-I765 PolarHBondContact O-N 3.45Å; I765-R767 PolarHBondContact O-N 2.78Å; I765-Y768 WeakPolarHBondContact O-CB 3.5Å; I765-Y768 PolarHBondContact O-N 2.82Å; I765-Y769 HydrophobicContact CG2-CD2 3.68Å; I765-Y769 HydrophobicContact CG2-CE2 3.31Å; I765-Y769 VanDerWaalsContact O-CD2 3.29Å; I765-Y769 WeakPolarHBondContact O-CD2 3.46Å; I765-Y769 PolarHBondContact O-N 2.61Å; I765-V781 HydrophobicContact CG2-CG2 3.77Å
766L85.9Confident85.4Confident0 Ų062.8 Ų62.80%029%0.29CS..Hα-helixtrans-59.9-48178.2-17068.7000111Y762 Q764 Y768 Y769 I770 I778 V781 L792 T795Y762-L766 WeakPolarHBondContact O-CB 3.4Å; Y762-L766 PolarHBondContact O-N 2.86Å; Q764-L766 VanDerWaalsContact C-N 3.34Å; L766-Y768 VanDerWaalsContact C-N 3.3Å; L766-Y768 PolarHBondContact O-N 3.07Å; L766-Y769 PolarHBondContact O-N 2.87Å; L766-I770 HydrophobicContact CD2-CD1 4.39Å; L766-I770 HydrophobicContact CG-CD1 3.87Å; L766-I770 WeakPolarHBondContact O-CB 3.41Å; L766-I770 WeakPolarHBondContact O-CG1 3.14Å; L766-I770 PolarHBondContact O-N 2.86Å; L766-I778 HydrophobicContact CD1-CB 4.14Å; L766-I778 HydrophobicContact CD1-CG2 3.51Å; L766-I778 WeakPolarHBondContact CD1-O 3.49Å; L766-V781 HydrophobicContact CB-CG1 4.03Å; L766-V781 HydrophobicContact CD1-CB 4.17Å; L766-V781 HydrophobicContact CD1-CG1 3.99Å; L766-L792 HydrophobicContact CB-CD2 4.36Å; L766-L792 HydrophobicContact CD2-CB 4.16Å; L766-L792 HydrophobicContact CD2-CD2 4.05Å; L766-L792 WeakPolarHBondContact CD2-O 3.45Å; L766-T795 HydrophobicContact CD2-CG2 3.95Å
767R86.5Confident85.3Confident112 Ų11265.3 Ų65.342%0.42330%0.303SS..Hα-helixtrans-59.5-38.3175.8-77.7-170.3-171.9114.814.1112.9D763 Q764 I765 I770 S771D763-R767 WeakPolarHBondContact O-CB 3.44Å; D763-R767 WeakPolarHBondContact O-CG 3.44Å; D763-R767 PolarHBondContact O-N 3.21Å; D763-R767 IonicContact OD1-CZ 2.82Å; D763-R767 IonicContact OD1-NH2 3.49Å; D763-R767 PolarHBondContact OD1-NH2 2.93Å; D763-R767 IonicContact OD2-CZ 3.07Å; D763-R767 IonicContact OD2-NE 3.14Å; D763-R767 IonicContact OD2-NH1 3.93Å; D763-R767 PolarHBondContact OD2-NH1 2.87Å; D763-R767 IonicContact OD2-NH2 2.71Å; D763-R767 PolarHBondContact OD2-NH2 3.02Å; Q764-R767 VanDerWaalsContact NE2-NH1 3.12Å; Q764-R767 PolarHBondContact O-N 2.75Å; I765-R767 PolarHBondContact O-N 2.78Å; R767-I770 PolarHBondContact O-N 2.85Å; R767-S771 WeakPolarHBondContact O-CB 3.31Å; R767-S771 PolarHBondContact O-N 2.98Å
768Y86.6Confident85.2Confident32 Ų3261.4 Ų61.413%0.12528%0.284CS..Hα-helixtrans-63.5-50.6175.9173.9-104.3000111Y749 I753 W756 Q764 I765 L766 I770 S771 Q772 M774Y749-Y768 WeakPolarHBondContact CB-OH 3.24Å; Y749-Y768 AromaticContact CD1-CD2 3.84Å; Y749-Y768 HydrophobicContact CD1-CD2 3.84Å; Y749-Y768 AromaticContact CD1-CE2 3.24Å; Y749-Y768 HydrophobicContact CD1-CE2 3.24Å; Y749-Y768 AromaticContact CD1-CZ 3.88Å; Y749-Y768 HydrophobicContact CD2-CE2 4.25Å; Y749-Y768 HydrophobicContact CE1-CD2 4.14Å; Y749-Y768 AromaticContact CE1-CE2 3.65Å; Y749-Y768 HydrophobicContact CE1-CE2 3.65Å; Y749-Y768 AromaticContact CG-CE2 3.58Å; Y749-Y768 HydrophobicContact CG-CE2 3.58Å; Y749-Y768 AromaticContact CG-CZ 3.76Å; I753-Y768 HydrophobicContact CD1-CD1 4.24Å; I753-Y768 HydrophobicContact CD1-CE1 3.87Å; I753-Y768 HydrophobicContact CG1-CD1 4.31Å; I753-Y768 HydrophobicContact CG1-CE1 4.36Å; W756-Y768 HydrophobicContact CH2-CD2 4.37Å; W756-Y768 HydrophobicContact CH2-CG 4.23Å; W756-Y768 HydrophobicContact CZ3-CD1 4.35Å; W756-Y768 HydrophobicContact CZ3-CD2 4.38Å; W756-Y768 AromaticContact CZ3-CG 3.85Å; W756-Y768 HydrophobicContact CZ3-CG 3.85Å; Q764-Y768 WeakPolarHBondContact O-CB 3.34Å; Q764-Y768 PolarHBondContact O-N 3.37Å; I765-Y768 WeakPolarHBondContact O-CB 3.5Å; I765-Y768 PolarHBondContact O-N 2.82Å; L766-Y768 VanDerWaalsContact C-N 3.3Å; L766-Y768 PolarHBondContact O-N 3.07Å; Y768-I770 VanDerWaalsContact C-N 3.29Å; Y768-I770 PolarHBondContact O-N 3.14Å; Y768-S771 WeakPolarHBondContact O-CB 3.42Å; Y768-S771 PolarHBondContact O-N 2.76Å; Y768-S771 VanDerWaalsContact O-N 3.08Å; Y768-S771 PolarHBondContact O-OG 3.05Å; Y768-Q772 HydrophobicContact CD2-CG 4.39Å; Y768-Q772 HydrophobicContact CE1-CG 4.23Å; Y768-Q772 HydrophobicContact CE2-CG 3.9Å; Y768-Q772 WeakPolarHBondContact O-CG 3.38Å; Y768-Q772 PolarHBondContact O-N 3.33Å; Y768-Q772 VanDerWaalsContact O-N 3.09Å; Y768-M774 HydrophobicContact CE1-CE 3.95Å
769Y88.2Confident85.3Confident29 Ų2958.7 Ų58.711%0.11427%0.273CS..Hα-helixtrans-63.3-34.8176.9-69-53.8000112.8I765 L766 Q772 D773 M774 E777 V781I765-Y769 HydrophobicContact CG2-CD2 3.68Å; I765-Y769 HydrophobicContact CG2-CE2 3.31Å; I765-Y769 VanDerWaalsContact O-CD2 3.29Å; I765-Y769 WeakPolarHBondContact O-CD2 3.46Å; I765-Y769 PolarHBondContact O-N 2.61Å; L766-Y769 PolarHBondContact O-N 2.87Å; Y769-Q772 CarbonylContact O-C 3.55Å; Y769-Q772 PolarHBondContact O-N 3.37Å; Y769-D773 PolarHBondContact O-N 2.91Å; Y769-D773 VanDerWaalsContact O-N 3.07Å; Y769-M774 HydrophobicContact CD1-CB 4.01Å; Y769-M774 HydrophobicContact CD1-CE 3.5Å; Y769-M774 VanDerWaalsContact CD1-CE 3.5Å; Y769-M774 HydrophobicContact CD1-CG 4.45Å; Y769-M774 HydrophobicContact CD1-SD 3.86Å; Y769-M774 HydrophobicContact CE1-CE 3.79Å; Y769-M774 HydrophobicContact CE1-SD 4.08Å; Y769-M774 PolarHBondContact O-N 3.45Å; Y769-E777 HydrophobicContact CD1-CB 3.61Å; Y769-E777 HydrophobicContact CD1-CG 4.15Å; Y769-E777 HydrophobicContact CD2-CB 3.85Å; Y769-E777 HydrophobicContact CE1-CB 3.74Å; Y769-E777 HydrophobicContact CE1-CG 3.96Å; Y769-E777 HydrophobicContact CE2-CB 3.93Å; Y769-E777 HydrophobicContact CG-CB 3.7Å; Y769-V781 HydrophobicContact CD2-CG2 3.8Å; Y769-V781 HydrophobicContact CE2-CG2 3.77Å
770I85.4Confident85.3Confident33 Ų3359.1 Ų59.117%0.16928%0.277CS..Hα-helixtrans-59.3-46.8170.5-72.6165.3000110.8L766 R767 Y768 Q772 D773 I778 T795 N799L766-I770 HydrophobicContact CD2-CD1 4.39Å; L766-I770 HydrophobicContact CG-CD1 3.87Å; L766-I770 WeakPolarHBondContact O-CB 3.41Å; L766-I770 WeakPolarHBondContact O-CG1 3.14Å; L766-I770 PolarHBondContact O-N 2.86Å; R767-I770 PolarHBondContact O-N 2.85Å; Y768-I770 VanDerWaalsContact C-N 3.29Å; Y768-I770 PolarHBondContact O-N 3.14Å; I770-Q772 PolarHBondContact O-N 2.63Å; I770-D773 PolarHBondContact O-N 3.28Å; I770-D773 VanDerWaalsContact O-N 3.1Å; I770-I778 HydrophobicContact CB-CD1 4.34Å; I770-I778 HydrophobicContact CG1-CD1 3.73Å; I770-I778 HydrophobicContact CG1-CG1 4.11Å; I770-I778 HydrophobicContact CG1-CG2 4.42Å; I770-T795 HydrophobicContact CD1-CG2 4.03Å; I770-N799 HydrophobicContact CD1-CB 3.94Å; I770-N799 HydrophobicContact CG1-CB 4.22Å; I770-N799 HydrophobicContact CG2-CB 4.35Å; I770-N799 VanDerWaalsContact CG2-OD1 3.3Å; I770-N799 WeakPolarHBondContact CG2-OD1 3.4Å
771S84.4Confident85.5Confident81 Ų8153.1 Ų53.157%0.56625%0.251SS*.Hα-helixtrans-64.6-26.8179.978.10000113.6R767 Y768R767-S771 WeakPolarHBondContact O-CB 3.31Å; R767-S771 PolarHBondContact O-N 2.98Å; Y768-S771 WeakPolarHBondContact O-CB 3.42Å; Y768-S771 PolarHBondContact O-N 2.76Å; Y768-S771 VanDerWaalsContact O-N 3.08Å; Y768-S771 PolarHBondContact O-OG 3.05Å
772Q84Confident85.5Confident99 Ų9949.8 Ų49.846%0.46323%0.234SC..THydrogen-bonded Turntrans-95.73.4177.5-59.7-57.5-53.800113Y768 Y769 I770 M774Y768-Q772 HydrophobicContact CD2-CG 4.39Å; Y768-Q772 HydrophobicContact CE1-CG 4.23Å; Y768-Q772 HydrophobicContact CE2-CG 3.9Å; Y768-Q772 WeakPolarHBondContact O-CG 3.38Å; Y768-Q772 PolarHBondContact O-N 3.33Å; Y768-Q772 VanDerWaalsContact O-N 3.09Å; Y769-Q772 CarbonylContact O-C 3.55Å; Y769-Q772 PolarHBondContact O-N 3.37Å; I770-Q772 PolarHBondContact O-N 2.63Å; Q772-M774 HydrophobicContact CB-CE 3.42Å; Q772-M774 VanDerWaalsContact CB-CE 3.42Å; Q772-M774 HydrophobicContact CB-CG 3.95Å; Q772-M774 HydrophobicContact CG-CE 3.7Å; Q772-M774 PolarHBondContact O-N 3.04Å
773D81.5Confident85.5Confident86 Ų8652.5 Ų52.546%0.4625%0.247SC..THydrogen-bonded Turntrans54.130.9-176.5-155.329.1000114.6Y769 I770 N775 K803Y769-D773 PolarHBondContact O-N 2.91Å; Y769-D773 VanDerWaalsContact O-N 3.07Å; I770-D773 PolarHBondContact O-N 3.28Å; I770-D773 VanDerWaalsContact O-N 3.1Å; D773-N775 VanDerWaalsContact C-N 3.32Å; D773-N775 PolarHBondContact O-N 3.47Å; D773-K803 IonicContact OD1-NZ 2.7Å; D773-K803 PolarHBondContact OD1-NZ 2.79Å
774M84.2Confident85.5Confident68 Ų6856.5 Ų56.534%0.33527%0.269SS..  trans-83.471.4-178.4-71.1-165.6-102.200111.5Y768 Y769 Q772 R776 E777 I778Y768-M774 HydrophobicContact CE1-CE 3.95Å; Y769-M774 HydrophobicContact CD1-CB 4.01Å; Y769-M774 HydrophobicContact CD1-CE 3.5Å; Y769-M774 VanDerWaalsContact CD1-CE 3.5Å; Y769-M774 HydrophobicContact CD1-CG 4.45Å; Y769-M774 HydrophobicContact CD1-SD 3.86Å; Y769-M774 HydrophobicContact CE1-CE 3.79Å; Y769-M774 HydrophobicContact CE1-SD 4.08Å; Y769-M774 PolarHBondContact O-N 3.45Å; Q772-M774 HydrophobicContact CB-CE 3.42Å; Q772-M774 VanDerWaalsContact CB-CE 3.42Å; Q772-M774 HydrophobicContact CB-CG 3.95Å; Q772-M774 HydrophobicContact CG-CE 3.7Å; Q772-M774 PolarHBondContact O-N 3.04Å; M774-R776 PolarHBondContact O-N 2.95Å; M774-R776 VanDerWaalsContact O-N 3.08Å; M774-E777 HydrophobicContact CB-CB 4.27Å; M774-E777 HydrophobicContact CB-CG 4.3Å; M774-E777 PolarHBondContact O-N 3.41Å; M774-E777 HydrophobicContact SD-CG 4.43Å; M774-I778 WeakPolarHBondContact O-CG1 3.5Å; M774-I778 PolarHBondContact O-N 3.45Å; M774-I778 VanDerWaalsContact O-N 3.07Å
775N83.2Confident85.5Confident34 Ų3454.9 Ų54.918%0.18226%0.26CS..Hα-helixtrans-51.1-36.7-174.2-74-58.1000115.5D773 M779 Y800 H806D773-N775 VanDerWaalsContact C-N 3.32Å; D773-N775 PolarHBondContact O-N 3.47Å; N775-M779 PolarHBondContact O-N 3.13Å; N775-Y800 WeakPolarHBondContact OD1-CE1 3.05Å; N775-Y800 PolarHBondContact OD1-OH 2.83Å; N775-H806 PolarHBondContact ND2-CE1 3.31Å; N775-H806 PolarHBondContact ND2-NE2 3.31Å
776R85.3Confident85.3Confident202 Ų20254.9 Ų54.976%0.76226%0.26SS*.Hα-helixtrans-66.1-44.9179-166.5179.6-167.8-178.11.9111.8M774 M779 N780M774-R776 PolarHBondContact O-N 2.95Å; M774-R776 VanDerWaalsContact O-N 3.08Å; R776-M779 PolarHBondContact O-N 3.44Å; R776-N780 PolarHBondContact O-N 3.07Å; R776-N780 VanDerWaalsContact O-N 3.11Å; R776-N780 PolarHBondContact O-ND2 3.23Å; R776-N780 PolarHBondContact O-OD1 2.73Å
777E85.2Confident85Confident70 Ų7061.1 Ų61.133%0.32729%0.293SS..Hα-helixtrans-73.4-33-178.6-55.2-52.5153.500111.9Y769 M774 M779 N780 V781Y769-E777 HydrophobicContact CD1-CB 3.61Å; Y769-E777 HydrophobicContact CD1-CG 4.15Å; Y769-E777 HydrophobicContact CD2-CB 3.85Å; Y769-E777 HydrophobicContact CE1-CB 3.74Å; Y769-E777 HydrophobicContact CE1-CG 3.96Å; Y769-E777 HydrophobicContact CE2-CB 3.93Å; Y769-E777 HydrophobicContact CG-CB 3.7Å; M774-E777 HydrophobicContact CB-CB 4.27Å; M774-E777 HydrophobicContact CB-CG 4.3Å; M774-E777 PolarHBondContact O-N 3.41Å; M774-E777 HydrophobicContact SD-CG 4.43Å; E777-M779 VanDerWaalsContact C-N 3.3Å; E777-M779 PolarHBondContact O-N 2.99Å; E777-N780 PolarHBondContact O-N 3.39Å; E777-N780 PolarHBondContact OE2-ND2 2.7Å; E777-V781 VanDerWaalsContact O-CG2 3.28Å; E777-V781 WeakPolarHBondContact O-CG2 3.39Å; E777-V781 PolarHBondContact O-N 3.46Å
778I85.7Confident84.8Confident0 Ų061.4 Ų61.40%030%0.299CS..Hα-helixtrans-56.8-46.4173-63.8170000110.3L766 I770 M774 V781 C782 Y800L766-I778 HydrophobicContact CD1-CB 4.14Å; L766-I778 HydrophobicContact CD1-CG2 3.51Å; L766-I778 WeakPolarHBondContact CD1-O 3.49Å; I770-I778 HydrophobicContact CB-CD1 4.34Å; I770-I778 HydrophobicContact CG1-CD1 3.73Å; I770-I778 HydrophobicContact CG1-CG1 4.11Å; I770-I778 HydrophobicContact CG1-CG2 4.42Å; M774-I778 WeakPolarHBondContact O-CG1 3.5Å; M774-I778 PolarHBondContact O-N 3.45Å; M774-I778 VanDerWaalsContact O-N 3.07Å; I778-V781 PolarHBondContact O-N 3.38Å; I778-C782 PolarHBondContact O-N 3.48Å; I778-C782 VanDerWaalsContact O-N 3.07Å; I778-C782 PolarHBondContact O-SG 2.87Å; I778-C782 VanDerWaalsContact O-SG 3.41Å; I778-Y800 HydrophobicContact CG2-CE2 3.98Å
779M85.2Confident84.6Confident19 Ų1962.7 Ų62.79%0.09431%0.307CS..Hα-helixtrans-68.5-42.1178.6-74.2-57.6-5700112.5N775 R776 E777 V781 C782 E783 W793 I809 R812 V813N775-M779 PolarHBondContact O-N 3.13Å; R776-M779 PolarHBondContact O-N 3.44Å; E777-M779 VanDerWaalsContact C-N 3.3Å; E777-M779 PolarHBondContact O-N 2.99Å; M779-V781 VanDerWaalsContact C-N 3.3Å; M779-V781 PolarHBondContact O-N 3.26Å; M779-C782 PolarHBondContact O-N 3.08Å; M779-E783 WeakPolarHBondContact CE-OE1 3.48Å; M779-E783 WeakPolarHBondContact O-CB 3.39Å; M779-E783 VanDerWaalsContact O-CG 3.29Å; M779-E783 WeakPolarHBondContact O-CG 3.41Å; M779-E783 PolarHBondContact O-N 2.77Å; M779-W793 HydrophobicContact CE-CH2 4.34Å; M779-W793 HydrophobicContact CE-CZ3 4.18Å; M779-I809 HydrophobicContact CG-CG2 4.01Å; M779-I809 HydrophobicContact SD-CG2 3.47Å; M779-I809 WeakPolarHBondContact SD-CG2 3.25Å; M779-R812 HydrophobicContact CE-CG 4.27Å; M779-V813 HydrophobicContact SD-CG2 4.4Å
780N87.4Confident84.4Confident55 Ų5563.2 Ų63.229%0.29431%0.314SS..Hα-helixtrans-56.8-45.7174.8-64.4-17.7000110.8R776 E777 C782 E783 D784R776-N780 PolarHBondContact O-N 3.07Å; R776-N780 VanDerWaalsContact O-N 3.11Å; R776-N780 PolarHBondContact O-ND2 3.23Å; R776-N780 PolarHBondContact O-OD1 2.73Å; E777-N780 PolarHBondContact O-N 3.39Å; E777-N780 PolarHBondContact OE2-ND2 2.7Å; N780-C782 PolarHBondContact O-N 3.28Å; N780-E783 PolarHBondContact O-N 2.95Å; N780-E783 VanDerWaalsContact O-N 3.17Å; N780-D784 VanDerWaalsContact O-CB 3.29Å; N780-D784 WeakPolarHBondContact O-CB 3.38Å; N780-D784 PolarHBondContact O-N 2.87Å
781V87.9Confident84.3Confident8 Ų866.1 Ų66.15%0.04833%0.33CS..Hα-helixtrans-62.6-43.6178.4170.40000111.9I765 L766 Y769 E777 I778 M779 E783 Y785I765-V781 HydrophobicContact CG2-CG2 3.77Å; L766-V781 HydrophobicContact CB-CG1 4.03Å; L766-V781 HydrophobicContact CD1-CB 4.17Å; L766-V781 HydrophobicContact CD1-CG1 3.99Å; Y769-V781 HydrophobicContact CD2-CG2 3.8Å; Y769-V781 HydrophobicContact CE2-CG2 3.77Å; E777-V781 VanDerWaalsContact O-CG2 3.28Å; E777-V781 WeakPolarHBondContact O-CG2 3.39Å; E777-V781 PolarHBondContact O-N 3.46Å; I778-V781 PolarHBondContact O-N 3.38Å; M779-V781 VanDerWaalsContact C-N 3.3Å; M779-V781 PolarHBondContact O-N 3.26Å; V781-E783 VanDerWaalsContact C-N 3.31Å; V781-E783 PolarHBondContact O-N 3.29Å; V781-Y785 HydrophobicContact CB-CD2 4.39Å; V781-Y785 HydrophobicContact CG1-CD2 4.01Å; V781-Y785 WeakPolarHBondContact O-CB 3.49Å; V781-Y785 WeakPolarHBondContact O-CD2 3.4Å; V781-Y785 PolarHBondContact O-N 2.83Å
782C86.2Confident84.5Confident0 Ų062.2 Ų62.20%030%0.303CS..Hα-helixtrans-65-35.1175.7-71.40000112.4I778 M779 N780 G786 W793I778-C782 PolarHBondContact O-N 3.48Å; I778-C782 VanDerWaalsContact O-N 3.07Å; I778-C782 PolarHBondContact O-SG 2.87Å; I778-C782 VanDerWaalsContact O-SG 3.41Å; M779-C782 PolarHBondContact O-N 3.08Å; N780-C782 PolarHBondContact O-N 3.28Å; C782-G786 WeakPolarHBondContact O-CA 3.38Å; C782-G786 PolarHBondContact O-N 3.07Å; C782-W793 HydrophobicContact CB-CD2 4.25Å; C782-W793 HydrophobicContact CB-CE3 4.06Å; C782-W793 HydrophobicContact CB-CH2 3.72Å; C782-W793 HydrophobicContact CB-CZ2 3.94Å; C782-W793 HydrophobicContact CB-CZ3 3.8Å; C782-W793 WeakPolarHBondContact O-CZ2 3.45Å
783E87.3Confident84.7Confident73 Ų7357.9 Ų57.934%0.34128%0.282SS..Hα-helixtrans-76.6-44.6-179.8-72.9174.7-170.600112.4M779 N780 V781 W793 R812M779-E783 WeakPolarHBondContact CE-OE1 3.48Å; M779-E783 WeakPolarHBondContact O-CB 3.39Å; M779-E783 VanDerWaalsContact O-CG 3.29Å; M779-E783 WeakPolarHBondContact O-CG 3.41Å; M779-E783 PolarHBondContact O-N 2.77Å; N780-E783 PolarHBondContact O-N 2.95Å; N780-E783 VanDerWaalsContact O-N 3.17Å; V781-E783 VanDerWaalsContact C-N 3.31Å; V781-E783 PolarHBondContact O-N 3.29Å; E783-W793 HydrophobicContact CG-CH2 4.17Å; E783-R812 VanDerWaalsContact CD-NH2 3.34Å; E783-R812 IonicContact OE1-CZ 2.7Å; E783-R812 IonicContact OE1-NE 2.7Å; E783-R812 PolarHBondContact OE1-NE 3.39Å; E783-R812 IonicContact OE1-NH1 2.91Å; E783-R812 IonicContact OE1-NH2 3.83Å; E783-R812 PolarHBondContact OE1-NH2 2.82Å; E783-R812 IonicContact OE2-NH2 2.76Å
784D84.6Confident84.9Confident108 Ų10855.3 Ų55.358%0.57827%0.268SS*.Hα-helixtrans-71.8-39.6-178.3-67.1-23.3000111.5N780N780-D784 VanDerWaalsContact O-CB 3.29Å; N780-D784 WeakPolarHBondContact O-CB 3.38Å; N780-D784 PolarHBondContact O-N 2.87Å
785Y85.2Confident84.9Confident44 Ų4453.4 Ų53.417%0.17326%0.26CS..Hα-helixtrans-113.2-9.7-171.6-53.3-65000114.7Y762 V781 N787 Q788 M789Y762-Y785 AromaticContact CD1-CD1 3.5Å; Y762-Y785 HydrophobicContact CD1-CD1 3.5Å; Y762-Y785 AromaticContact CD1-CD2 3.68Å; Y762-Y785 HydrophobicContact CD1-CD2 3.68Å; Y762-Y785 AromaticContact CD1-CE1 3.82Å; Y762-Y785 HydrophobicContact CD1-CE1 3.82Å; Y762-Y785 AromaticContact CD1-CE2 3.97Å; Y762-Y785 HydrophobicContact CD1-CE2 3.97Å; Y762-Y785 AromaticContact CD1-CG 3.41Å; Y762-Y785 HydrophobicContact CD1-CG 3.41Å; Y762-Y785 VanDerWaalsContact CD1-CG 3.41Å; Y762-Y785 HydrophobicContact CD2-CD1 4.2Å; Y762-Y785 HydrophobicContact CD2-CG 4.09Å; Y762-Y785 AromaticContact CE1-CD1 3.16Å; Y762-Y785 HydrophobicContact CE1-CD1 3.16Å; Y762-Y785 HydrophobicContact CE1-CD2 4.15Å; Y762-Y785 AromaticContact CE1-CE1 3.24Å; Y762-Y785 HydrophobicContact CE1-CE1 3.24Å; Y762-Y785 HydrophobicContact CE1-CE2 4.21Å; Y762-Y785 AromaticContact CE1-CG 3.64Å; Y762-Y785 HydrophobicContact CE1-CG 3.64Å; Y762-Y785 AromaticContact CE1-CZ 3.77Å; Y762-Y785 AromaticContact CE2-CD1 3.89Å; Y762-Y785 HydrophobicContact CE2-CD1 3.89Å; Y762-Y785 HydrophobicContact CE2-CG 4.26Å; Y762-Y785 HydrophobicContact CG-CD1 4.02Å; Y762-Y785 HydrophobicContact CG-CD2 4.14Å; Y762-Y785 AromaticContact CG-CG 3.66Å; Y762-Y785 HydrophobicContact CG-CG 3.66Å; Y762-Y785 AromaticContact CZ-CD1 3.36Å; Y762-Y785 AromaticContact CZ-CE1 3.73Å; V781-Y785 HydrophobicContact CB-CD2 4.39Å; V781-Y785 HydrophobicContact CG1-CD2 4.01Å; V781-Y785 WeakPolarHBondContact O-CB 3.49Å; V781-Y785 WeakPolarHBondContact O-CD2 3.4Å; V781-Y785 PolarHBondContact O-N 2.83Å; Y785-N787 PolarHBondContact O-N 2.85Å; Y785-Q788 PolarHBondContact O-N 3.49Å; Y785-M789 PolarHBondContact O-N 3.13Å
786G80.9Confident85Confident0 Ų051.8 Ų51.80%025%0.252CS..THydrogen-bonded Turntrans-65.1-24.1-176.900000114.6C782 M789 P790C782-G786 WeakPolarHBondContact O-CA 3.38Å; C782-G786 PolarHBondContact O-N 3.07Å; G786-M789 CarbonylContact O-C 3.37Å; G786-P790 VanDerWaalsContact O-CA 3.26Å; G786-P790 WeakPolarHBondContact O-CA 3.48Å
787N80.7Confident85Confident130 Ų13042.2 Ų42.270%0.69522%0.215SC*.THydrogen-bonded Turntrans-71.4-31.9173.5-67.8-30000112.4Y785Y785-N787 PolarHBondContact O-N 2.85Å
788Q81Confident84.9Confident119 Ų11942.4 Ų42.456%0.55622%0.218SC*.THydrogen-bonded Turntrans-82.8-38.3178.1-61.2-178.242.600111.1Y762 Y785Y762-Q788 HydrophobicContact CE2-CB 4.49Å; Y762-Q788 PolarHBondContact OH-OE1 3.41Å; Y785-Q788 PolarHBondContact O-N 3.49Å
789M83Confident84.8Confident59 Ų5943.5 Ų43.529%0.29122%0.224SC..  trans-131.487.2-179.5-171.6173.6165.700110.3Y762 D763 Y785 G786 N791 L792Y762-M789 HydrophobicContact CD2-CB 4.47Å; D763-M789 HydrophobicContact CB-CE 3.76Å; D763-M789 HydrophobicContact CB-SD 4.46Å; Y785-M789 PolarHBondContact O-N 3.13Å; G786-M789 CarbonylContact O-C 3.37Å; M789-N791 HydrophobicContact CE-CB 4.35Å; M789-N791 PolarHBondContact O-N 2.99Å; M789-N791 VanDerWaalsContact O-N 3.12Å; M789-L792 HydrophobicContact CB-CD1 4.15Å; M789-L792 HydrophobicContact CB-CG 4.15Å; M789-L792 HydrophobicContact CG-CG 4.18Å; M789-L792 WeakPolarHBondContact O-CB 3.47Å; M789-L792 VanDerWaalsContact O-CG 3.24Å; M789-L792 WeakPolarHBondContact O-CG 3.47Å; M789-L792 PolarHBondContact O-N 2.85Å; M789-L792 VanDerWaalsContact O-N 3.14Å; M789-L792 HydrophobicContact SD-CD2 4.34Å; M789-L792 HydrophobicContact SD-CG 4.46Å
790P84.1Confident84.8Confident40 Ų4042.6 Ų42.626%0.2622%0.22SC..THydrogen-bonded Turntrans-61.1-26.1-175.9-26.635.7000114.6G786 L792 W793 L820 L822G786-P790 VanDerWaalsContact O-CA 3.26Å; G786-P790 WeakPolarHBondContact O-CA 3.48Å; P790-L792 PolarHBondContact O-N 2.91Å; P790-W793 WeakPolarHBondContact O-CB 3.4Å; P790-W793 PolarHBondContact O-N 2.83Å; P790-L820 HydrophobicContact CB-CD1 4.2Å; P790-L822 HydrophobicContact CB-CD1 3.66Å; P790-L822 HydrophobicContact CB-CD2 3.28Å; P790-L822 HydrophobicContact CB-CG 4.07Å; P790-L822 HydrophobicContact CG-CD2 4.24Å; P790-L822 WeakPolarHBondContact O-CD1 3.42Å
791N84.2Confident84.3Confident93 Ų9340 Ų4050%0.49721%0.206SC..Hα-helixtrans-59.6-18.6177.3-70.2-19.5000114M789 W793 L794 T795M789-N791 HydrophobicContact CE-CB 4.35Å; M789-N791 PolarHBondContact O-N 2.99Å; M789-N791 VanDerWaalsContact O-N 3.12Å; N791-W793 PolarHBondContact O-N 2.57Å; N791-L794 WeakPolarHBondContact O-CB 3.3Å; N791-L794 PolarHBondContact O-N 3.23Å; N791-T795 PolarHBondContact O-N 2.79Å
792L87.9Confident83.7Confident0 Ų043.7 Ų43.70%022%0.222CC..Hα-helixtrans-57.1-36.1171.8-63.8175.2000111.6D763 L766 M789 P790 L794 T795 A796D763-L792 VanDerWaalsContact CA-CD2 3.49Å; D763-L792 HydrophobicContact CB-CD2 3.98Å; L766-L792 HydrophobicContact CB-CD2 4.36Å; L766-L792 HydrophobicContact CD2-CB 4.16Å; L766-L792 HydrophobicContact CD2-CD2 4.05Å; L766-L792 WeakPolarHBondContact CD2-O 3.45Å; M789-L792 HydrophobicContact CB-CD1 4.15Å; M789-L792 HydrophobicContact CB-CG 4.15Å; M789-L792 HydrophobicContact CG-CG 4.18Å; M789-L792 WeakPolarHBondContact O-CB 3.47Å; M789-L792 VanDerWaalsContact O-CG 3.24Å; M789-L792 WeakPolarHBondContact O-CG 3.47Å; M789-L792 PolarHBondContact O-N 2.85Å; M789-L792 VanDerWaalsContact O-N 3.14Å; M789-L792 HydrophobicContact SD-CD2 4.34Å; M789-L792 HydrophobicContact SD-CG 4.46Å; P790-L792 PolarHBondContact O-N 2.91Å; L792-L794 VanDerWaalsContact C-N 3.3Å; L792-L794 PolarHBondContact O-N 3.4Å; L792-T795 PolarHBondContact O-N 2.87Å; L792-A796 WeakPolarHBondContact O-CB 3.41Å; L792-A796 PolarHBondContact O-N 3.18Å
793W88.3Confident83.3Confident7 Ų745.4 Ų45.43%0.02723%0.23CC..Hα-helixtrans-66.3-31.3175.2-65.4107.5000112.5M779 C782 E783 P790 N791 L797 V813 Q816 V817 L822M779-W793 HydrophobicContact CE-CH2 4.34Å; M779-W793 HydrophobicContact CE-CZ3 4.18Å; C782-W793 HydrophobicContact CB-CD2 4.25Å; C782-W793 HydrophobicContact CB-CE3 4.06Å; C782-W793 HydrophobicContact CB-CH2 3.72Å; C782-W793 HydrophobicContact CB-CZ2 3.94Å; C782-W793 HydrophobicContact CB-CZ3 3.8Å; C782-W793 WeakPolarHBondContact O-CZ2 3.45Å; E783-W793 HydrophobicContact CG-CH2 4.17Å; P790-W793 WeakPolarHBondContact O-CB 3.4Å; P790-W793 PolarHBondContact O-N 2.83Å; N791-W793 PolarHBondContact O-N 2.57Å; W793-L797 VanDerWaalsContact O-CB 3.26Å; W793-L797 WeakPolarHBondContact O-CB 3.28Å; W793-L797 PolarHBondContact O-N 3.06Å; W793-V813 HydrophobicContact CE3-CB 4.36Å; W793-V813 HydrophobicContact CE3-CG1 4.26Å; W793-V813 HydrophobicContact CE3-CG2 4.1Å; W793-V813 HydrophobicContact CZ3-CG2 4.13Å; W793-V813 VanDerWaalsContact O-CG1 3.28Å; W793-V813 WeakPolarHBondContact O-CG1 3.4Å; W793-Q816 HydrophobicContact CD2-CB 3.62Å; W793-Q816 HydrophobicContact CD2-CG 4.23Å; W793-Q816 HydrophobicContact CE3-CB 3.71Å; W793-Q816 HydrophobicContact CE3-CG 4.1Å; W793-Q816 HydrophobicContact CG-CB 4.18Å; W793-Q816 HydrophobicContact CH2-CB 4.16Å; W793-Q816 HydrophobicContact CH2-CG 3.67Å; W793-Q816 HydrophobicContact CZ2-CB 4.05Å; W793-Q816 HydrophobicContact CZ2-CG 3.78Å; W793-Q816 HydrophobicContact CZ3-CB 3.98Å; W793-Q816 HydrophobicContact CZ3-CG 3.82Å; W793-V817 HydrophobicContact CB-CG2 3.81Å; W793-L822 HydrophobicContact CB-CD1 4.1Å
794L84.7Confident82.5Confident32 Ų3244.8 Ų44.817%0.16823%0.232CC..Hα-helixtrans-72.5-41.9174-65.4174.7000111.4N791 L792 A796 L797 I798 V817 L822 A823 L831N791-L794 WeakPolarHBondContact O-CB 3.3Å; N791-L794 PolarHBondContact O-N 3.23Å; L792-L794 VanDerWaalsContact C-N 3.3Å; L792-L794 PolarHBondContact O-N 3.4Å; L794-A796 VanDerWaalsContact C-N 3.31Å; L794-A796 PolarHBondContact O-N 3.29Å; L794-L797 HydrophobicContact CD2-CD2 4.4Å; L794-L797 WeakPolarHBondContact O-CB 3.37Å; L794-L797 PolarHBondContact O-N 3.31Å; L794-I798 VanDerWaalsContact O-CG1 3.31Å; L794-I798 WeakPolarHBondContact O-CG1 3.46Å; L794-I798 PolarHBondContact O-N 2.82Å; L794-V817 HydrophobicContact CD2-CG1 4.22Å; L794-V817 HydrophobicContact CD2-CG2 4.3Å; L794-L822 HydrophobicContact CD2-CB 4.44Å; L794-L822 HydrophobicContact CG-CB 4.48Å; L794-A823 HydrophobicContact CD2-CB 4Å; L794-L831 HydrophobicContact CD2-CD1 4.44Å
795T85.8Confident82.2Confident29 Ų2945.5 Ų45.518%0.17823%0.232CC..Hα-helixtrans-62.4-41.3174-56.80000110.9D763 L766 I770 N791 L792 I798 N799D763-T795 PolarHBondContact OD1-OG1 3.23Å; L766-T795 HydrophobicContact CD2-CG2 3.95Å; I770-T795 HydrophobicContact CD1-CG2 4.03Å; N791-T795 PolarHBondContact O-N 2.79Å; L792-T795 PolarHBondContact O-N 2.87Å; T795-I798 PolarHBondContact O-N 3.16Å; T795-N799 PolarHBondContact O-N 2.89Å
796A85.2Confident81.9Confident0 Ų045.4 Ų45.40%023%0.233CC..Hα-helixtrans-63.6-41172.600000112L792 L794 I798 N799 Y800 V813L792-A796 WeakPolarHBondContact O-CB 3.41Å; L792-A796 PolarHBondContact O-N 3.18Å; L794-A796 VanDerWaalsContact C-N 3.31Å; L794-A796 PolarHBondContact O-N 3.29Å; A796-I798 PolarHBondContact O-N 3.37Å; A796-N799 PolarHBondContact O-N 3.2Å; A796-Y800 HydrophobicContact CB-CD2 4.37Å; A796-Y800 HydrophobicContact CB-CE2 4.5Å; A796-Y800 WeakPolarHBondContact O-CB 3.41Å; A796-Y800 WeakPolarHBondContact O-CD2 3.46Å; A796-Y800 PolarHBondContact O-N 2.85Å; A796-V813 HydrophobicContact CB-CG1 4.25Å; A796-V813 HydrophobicContact CB-CG2 4.19Å
797L84.2Confident81.7Confident0 Ų047.3 Ų47.30%025%0.246CC..Hα-helixtrans-59.2-47.6176.6179.368.3000110.7W793 L794 N799 Y800 A801 L810 V813 I814 V828 L831 L832W793-L797 VanDerWaalsContact O-CB 3.26Å; W793-L797 WeakPolarHBondContact O-CB 3.28Å; W793-L797 PolarHBondContact O-N 3.06Å; L794-L797 HydrophobicContact CD2-CD2 4.4Å; L794-L797 WeakPolarHBondContact O-CB 3.37Å; L794-L797 PolarHBondContact O-N 3.31Å; L797-N799 VanDerWaalsContact C-N 3.35Å; L797-N799 PolarHBondContact O-N 2.88Å; L797-Y800 PolarHBondContact O-N 3.14Å; L797-A801 VanDerWaalsContact O-CB 3.28Å; L797-A801 WeakPolarHBondContact O-CB 3.36Å; L797-A801 PolarHBondContact O-N 2.9Å; L797-L810 HydrophobicContact CD1-CD1 3.68Å; L797-V813 HydrophobicContact CB-CG1 3.79Å; L797-V813 HydrophobicContact CD1-CG1 4.27Å; L797-I814 HydrophobicContact CD1-CD1 4.39Å; L797-I814 HydrophobicContact CD1-CG1 3.62Å; L797-V828 HydrophobicContact CD2-CG1 4.2Å; L797-L831 HydrophobicContact CD2-CD1 4.12Å; L797-L832 HydrophobicContact CD1-CD2 3.98Å
798I82.8Confident81.7Confident75 Ų7546.8 Ų46.839%0.38524%0.243SC..Hα-helixtrans-61.8-43.3178.1-66.7164.7000110.7L794 T795 A796 A801 H802 L831L794-I798 VanDerWaalsContact O-CG1 3.31Å; L794-I798 WeakPolarHBondContact O-CG1 3.46Å; L794-I798 PolarHBondContact O-N 2.82Å; T795-I798 PolarHBondContact O-N 3.16Å; A796-I798 PolarHBondContact O-N 3.37Å; I798-A801 WeakPolarHBondContact O-CB 3.38Å; I798-A801 PolarHBondContact O-N 3.33Å; I798-H802 PolarHBondContact O-CE1 3.27Å; I798-H802 PolarHBondContact O-ND1 3.05Å; I798-L831 HydrophobicContact CD1-CD2 4.12Å; I798-L831 HydrophobicContact CG1-CD1 4.5Å; I798-L831 HydrophobicContact CG1-CD2 4.02Å
799N84.4Confident81.9Confident22 Ų2243 Ų4312%0.11823%0.227CC..Hα-helixtrans-63.6-47177.8174.659.5000112.1I770 T795 A796 L797 A801 H802I770-N799 HydrophobicContact CD1-CB 3.94Å; I770-N799 HydrophobicContact CG1-CB 4.22Å; I770-N799 HydrophobicContact CG2-CB 4.35Å; I770-N799 VanDerWaalsContact CG2-OD1 3.3Å; I770-N799 WeakPolarHBondContact CG2-OD1 3.4Å; T795-N799 PolarHBondContact O-N 2.89Å; A796-N799 PolarHBondContact O-N 3.2Å; L797-N799 VanDerWaalsContact C-N 3.35Å; L797-N799 PolarHBondContact O-N 2.88Å; N799-A801 VanDerWaalsContact C-N 3.34Å; N799-H802 PolarHBondContact O-N 2.89Å
800Y84.2Confident81.9Confident1 Ų140.3 Ų40.30%0.00421%0.213CC..Hα-helixtrans-78-16.2-178.6-70.8-61.8000113.7N775 I778 A796 L797 H802 K803 H806 I809 V813N775-Y800 WeakPolarHBondContact OD1-CE1 3.05Å; N775-Y800 PolarHBondContact OD1-OH 2.83Å; I778-Y800 HydrophobicContact CG2-CE2 3.98Å; A796-Y800 HydrophobicContact CB-CD2 4.37Å; A796-Y800 HydrophobicContact CB-CE2 4.5Å; A796-Y800 WeakPolarHBondContact O-CB 3.41Å; A796-Y800 WeakPolarHBondContact O-CD2 3.46Å; A796-Y800 PolarHBondContact O-N 2.85Å; L797-Y800 PolarHBondContact O-N 3.14Å; Y800-H802 PolarHBondContact O-N 3.09Å; Y800-K803 PolarHBondContact O-N 2.76Å; Y800-H806 HydrophobicContact CD1-CB 3.67Å; Y800-H806 HydrophobicContact CE1-CB 3.9Å; Y800-H806 AromaticContact CE1-CD2 3.95Å; Y800-I809 HydrophobicContact CD1-CG2 4.32Å; Y800-I809 HydrophobicContact CD2-CG2 3.9Å; Y800-I809 HydrophobicContact CE1-CB 4.37Å; Y800-I809 HydrophobicContact CE1-CD1 4.23Å; Y800-I809 HydrophobicContact CE1-CG2 3.98Å; Y800-I809 HydrophobicContact CE2-CG2 3.52Å; Y800-I809 HydrophobicContact CG-CG2 4.3Å; Y800-V813 HydrophobicContact CD2-CG2 4.15Å
801A77.8Confident81.9Confident0 Ų042.4 Ų42.40%022%0.218CC..Hα-helixtrans-59.3-35.4171.700000112.2L797 I798 N799 L832L797-A801 VanDerWaalsContact O-CB 3.28Å; L797-A801 WeakPolarHBondContact O-CB 3.36Å; L797-A801 PolarHBondContact O-N 2.9Å; I798-A801 WeakPolarHBondContact O-CB 3.38Å; I798-A801 PolarHBondContact O-N 3.33Å; N799-A801 VanDerWaalsContact C-N 3.34Å; A801-L832 HydrophobicContact CB-CD2 3.84Å
802H76.1Confident82Confident86 Ų8644 Ų4440%0.39822%0.218SC..THydrogen-bonded Turntrans-87.3-2-178.7-60.886.4000113.6I798 N799 Y800 P804 S835I798-H802 PolarHBondContact O-CE1 3.27Å; I798-H802 PolarHBondContact O-ND1 3.05Å; N799-H802 PolarHBondContact O-N 2.89Å; Y800-H802 PolarHBondContact O-N 3.09Å; H802-P804 WeakPolarHBondContact O-CD 3.33Å; H802-S835 PolarHBondContact CD2-OG 3.31Å; H802-S835 PolarHBondContact CE1-OG 2.88Å; H802-S835 PolarHBondContact NE2-OG 3.37Å
803K77.2Confident81.9Confident36 Ų3644 Ų4416%0.15722%0.218CC..  trans-12483.1-171.5-69.8-171.1178.6177.10111.3D773 Y800 E805 H806D773-K803 IonicContact OD1-NZ 2.7Å; D773-K803 PolarHBondContact OD1-NZ 2.79Å; Y800-K803 PolarHBondContact O-N 2.76Å; K803-E805 WeakPolarHBondContact CB-OE1 3.42Å; K803-E805 WeakPolarHBondContact CG-OE1 3.44Å; K803-E805 PolarHBondContact O-N 2.88Å; K803-H806 PolarHBondContact O-N 2.93Å; K803-H806 VanDerWaalsContact O-N 3.14Å
804P70.5Confident81.8Confident60 Ų6043.9 Ų43.939%0.3922%0.217SC..G310 helixtrans-62.5-24.9-176.425.5-34.6000113.7H802 H806 S807H802-P804 WeakPolarHBondContact O-CD 3.33Å; P804-H806 PolarHBondContact O-N 2.91Å; P804-S807 PolarHBondContact O-N 2.91Å
805E77.4Confident81.8Confident122 Ų12245.3 Ų45.357%0.5723%0.225SC*.G310 helixtrans-60.7-21.6175.962.3-83.6-171.400113.6K803K803-E805 WeakPolarHBondContact CB-OE1 3.42Å; K803-E805 WeakPolarHBondContact CG-OE1 3.44Å; K803-E805 PolarHBondContact O-N 2.88Å
806H79.1Confident81.7Confident42 Ų4247 Ų4719%0.19423%0.231CC..G310 helixtrans-106.634.8-177.2-66.4-48.3000113.2N775 Y800 K803 P804 D808 I809 L810N775-H806 PolarHBondContact ND2-CE1 3.31Å; N775-H806 PolarHBondContact ND2-NE2 3.31Å; Y800-H806 HydrophobicContact CD1-CB 3.67Å; Y800-H806 HydrophobicContact CE1-CB 3.9Å; Y800-H806 AromaticContact CE1-CD2 3.95Å; K803-H806 PolarHBondContact O-N 2.93Å; K803-H806 VanDerWaalsContact O-N 3.14Å; P804-H806 PolarHBondContact O-N 2.91Å; H806-D808 PolarHBondContact O-N 2.8Å; H806-D808 VanDerWaalsContact O-N 3.14Å; H806-I809 HydrophobicContact CB-CB 4.29Å; H806-I809 HydrophobicContact CB-CD1 4.16Å; H806-I809 HydrophobicContact CB-CG1 4.44Å; H806-I809 PolarHBondContact O-N 3.04Å; H806-L810 PolarHBondContact O-N 3.49Å
807S77Confident81.6Confident41 Ų4147 Ų4729%0.28723%0.231SC..Hα-helixtrans-54.5-33.4-177.766.50000114.9P804 L810 K811P804-S807 PolarHBondContact O-N 2.91Å; S807-L810 PolarHBondContact O-N 2.86Å; S807-K811 WeakPolarHBondContact O-CG 3.11Å; S807-K811 PolarHBondContact O-N 2.77Å
808D81.1Confident81.5Confident118 Ų11849 Ų4963%0.63124%0.241SC*.Hα-helixtrans-72-37.9177.2-65-35.2000112.4H806 L810 K811 R812H806-D808 PolarHBondContact O-N 2.8Å; H806-D808 VanDerWaalsContact O-N 3.14Å; D808-L810 VanDerWaalsContact C-N 3.35Å; D808-K811 PolarHBondContact O-N 3.1Å; D808-R812 PolarHBondContact O-N 2.84Å
809I84.6Confident81.5Confident40 Ų4049.9 Ų49.921%0.20525%0.253CS..Hα-helixtrans-67.4-42174.4-56.4177.9000109.2M779 Y800 H806 K811 R812 V813M779-I809 HydrophobicContact CG-CG2 4.01Å; M779-I809 HydrophobicContact SD-CG2 3.47Å; M779-I809 WeakPolarHBondContact SD-CG2 3.25Å; Y800-I809 HydrophobicContact CD1-CG2 4.32Å; Y800-I809 HydrophobicContact CD2-CG2 3.9Å; Y800-I809 HydrophobicContact CE1-CB 4.37Å; Y800-I809 HydrophobicContact CE1-CD1 4.23Å; Y800-I809 HydrophobicContact CE1-CG2 3.98Å; Y800-I809 HydrophobicContact CE2-CG2 3.52Å; Y800-I809 HydrophobicContact CG-CG2 4.3Å; H806-I809 HydrophobicContact CB-CB 4.29Å; H806-I809 HydrophobicContact CB-CD1 4.16Å; H806-I809 HydrophobicContact CB-CG1 4.44Å; H806-I809 PolarHBondContact O-N 3.04Å; I809-K811 PolarHBondContact O-N 3.2Å; I809-R812 WeakPolarHBondContact O-CB 3.48Å; I809-R812 PolarHBondContact O-N 2.91Å; I809-R812 VanDerWaalsContact O-N 3.16Å; I809-V813 HydrophobicContact CG2-CG2 4.43Å; I809-V813 WeakPolarHBondContact O-CG2 3.39Å; I809-V813 PolarHBondContact O-N 3.28Å
810L84.2Confident81.4Confident2 Ų251.6 Ų51.61%0.0126%0.262CS..Hα-helixtrans-59.6-43.2176.9-178.859.3000112.1L797 H806 S807 D808 R812 V813 I814 L832 C841 T845L797-L810 HydrophobicContact CD1-CD1 3.68Å; H806-L810 PolarHBondContact O-N 3.49Å; S807-L810 PolarHBondContact O-N 2.86Å; D808-L810 VanDerWaalsContact C-N 3.35Å; L810-R812 VanDerWaalsContact C-N 3.34Å; L810-R812 PolarHBondContact O-N 3.13Å; L810-V813 PolarHBondContact O-N 3Å; L810-I814 HydrophobicContact CD1-CD1 4.01Å; L810-I814 HydrophobicContact CD1-CG1 4.25Å; L810-I814 HydrophobicContact CG-CD1 3.82Å; L810-I814 HydrophobicContact CG-CG1 4.49Å; L810-I814 VanDerWaalsContact O-CG1 3.27Å; L810-I814 WeakPolarHBondContact O-CG1 3.28Å; L810-I814 PolarHBondContact O-N 2.86Å; L810-L832 HydrophobicContact CD1-CD2 4.1Å; L810-L832 HydrophobicContact CD2-CD2 4.31Å; L810-C841 HydrophobicContact CD2-CB 3.67Å; L810-T845 HydrophobicContact CD2-CG2 4.22Å; L810-T845 HydrophobicContact CG-CG2 4.44Å
811K83.9Confident81.2Confident84 Ų8457.7 Ų57.737%0.36530%0.295SS..Hα-helixtrans-57.5-47.7173.8-74.7173.2-175167.60111.6S807 D808 I809 V813 I814 D815 T845S807-K811 WeakPolarHBondContact O-CG 3.11Å; S807-K811 PolarHBondContact O-N 2.77Å; D808-K811 PolarHBondContact O-N 3.1Å; I809-K811 PolarHBondContact O-N 3.2Å; K811-V813 VanDerWaalsContact C-N 3.3Å; K811-V813 PolarHBondContact O-N 2.94Å; K811-I814 PolarHBondContact O-N 3.34Å; K811-D815 WeakPolarHBondContact O-CB 3.49Å; K811-D815 VanDerWaalsContact O-CG 3.31Å; K811-D815 PolarHBondContact O-N 3.11Å; K811-T845 HydrophobicContact CD-CG2 4.38Å; K811-T845 HydrophobicContact CG-CG2 3.6Å
812R85.1Confident81.3Confident128 Ų12860 Ų6048%0.48331%0.307SS..Hα-helixtrans-60.7-40.4178.7-173172.3180161.90.7111.8M779 E783 D808 I809 L810 D815 Q816M779-R812 HydrophobicContact CE-CG 4.27Å; E783-R812 VanDerWaalsContact CD-NH2 3.34Å; E783-R812 IonicContact OE1-CZ 2.7Å; E783-R812 IonicContact OE1-NE 2.7Å; E783-R812 PolarHBondContact OE1-NE 3.39Å; E783-R812 IonicContact OE1-NH1 2.91Å; E783-R812 IonicContact OE1-NH2 3.83Å; E783-R812 PolarHBondContact OE1-NH2 2.82Å; E783-R812 IonicContact OE2-NH2 2.76Å; D808-R812 PolarHBondContact O-N 2.84Å; I809-R812 WeakPolarHBondContact O-CB 3.48Å; I809-R812 PolarHBondContact O-N 2.91Å; I809-R812 VanDerWaalsContact O-N 3.16Å; L810-R812 VanDerWaalsContact C-N 3.34Å; L810-R812 PolarHBondContact O-N 3.13Å; R812-D815 PolarHBondContact O-N 2.79Å; R812-Q816 WeakPolarHBondContact O-CG 3.49Å; R812-Q816 PolarHBondContact O-N 2.92Å; R812-Q816 VanDerWaalsContact O-N 3.09Å
813V86.3Confident81.4Confident0 Ų056.5 Ų56.50%029%0.293CS..Hα-helixtrans-65.5-46.3175.7172.30000111.2M779 W793 A796 L797 Y800 I809 L810 K811 D815 Q816 V817M779-V813 HydrophobicContact SD-CG2 4.4Å; W793-V813 HydrophobicContact CE3-CB 4.36Å; W793-V813 HydrophobicContact CE3-CG1 4.26Å; W793-V813 HydrophobicContact CE3-CG2 4.1Å; W793-V813 HydrophobicContact CZ3-CG2 4.13Å; W793-V813 VanDerWaalsContact O-CG1 3.28Å; W793-V813 WeakPolarHBondContact O-CG1 3.4Å; A796-V813 HydrophobicContact CB-CG1 4.25Å; A796-V813 HydrophobicContact CB-CG2 4.19Å; L797-V813 HydrophobicContact CB-CG1 3.79Å; L797-V813 HydrophobicContact CD1-CG1 4.27Å; Y800-V813 HydrophobicContact CD2-CG2 4.15Å; I809-V813 HydrophobicContact CG2-CG2 4.43Å; I809-V813 WeakPolarHBondContact O-CG2 3.39Å; I809-V813 PolarHBondContact O-N 3.28Å; L810-V813 PolarHBondContact O-N 3Å; K811-V813 VanDerWaalsContact C-N 3.3Å; K811-V813 PolarHBondContact O-N 2.94Å; V813-D815 VanDerWaalsContact C-N 3.3Å; V813-D815 PolarHBondContact O-N 2.83Å; V813-Q816 PolarHBondContact O-N 3.23Å; V813-V817 HydrophobicContact CG1-CG2 4.37Å; V813-V817 VanDerWaalsContact O-CG2 3.31Å; V813-V817 WeakPolarHBondContact O-CG2 3.35Å; V813-V817 PolarHBondContact O-N 3.41Å
814I85.8Confident81.6Confident3 Ų358.8 Ų58.82%0.01531%0.31CS..Hα-helixtrans-61.1-41177.7-68.5163.6000110.9L797 L810 K811 Q816 V817 D818 L832 I846 Y849L797-I814 HydrophobicContact CD1-CD1 4.39Å; L797-I814 HydrophobicContact CD1-CG1 3.62Å; L810-I814 HydrophobicContact CD1-CD1 4.01Å; L810-I814 HydrophobicContact CD1-CG1 4.25Å; L810-I814 HydrophobicContact CG-CD1 3.82Å; L810-I814 HydrophobicContact CG-CG1 4.49Å; L810-I814 VanDerWaalsContact O-CG1 3.27Å; L810-I814 WeakPolarHBondContact O-CG1 3.28Å; L810-I814 PolarHBondContact O-N 2.86Å; K811-I814 PolarHBondContact O-N 3.34Å; I814-Q816 VanDerWaalsContact C-N 3.33Å; I814-Q816 PolarHBondContact O-N 3.42Å; I814-V817 PolarHBondContact O-N 2.82Å; I814-D818 WeakPolarHBondContact O-CB 3.4Å; I814-D818 PolarHBondContact O-N 2.69Å; I814-L832 HydrophobicContact CD1-CD1 4.3Å; I814-I846 HydrophobicContact CD1-CG2 3.68Å; I814-Y849 HydrophobicContact CG2-CD1 4.07Å; I814-Y849 HydrophobicContact CG2-CD2 3.87Å; I814-Y849 HydrophobicContact CG2-CG 3.62Å
815D85.1Confident82.1Confident62 Ų6256.7 Ų56.733%0.33230%0.297SS..Hα-helixtrans-62.4-40.7176.4-73.8-28.7000111.8K811 R812 V813 D818 C819 R852K811-D815 WeakPolarHBondContact O-CB 3.49Å; K811-D815 VanDerWaalsContact O-CG 3.31Å; K811-D815 PolarHBondContact O-N 3.11Å; R812-D815 PolarHBondContact O-N 2.79Å; V813-D815 VanDerWaalsContact C-N 3.3Å; V813-D815 PolarHBondContact O-N 2.83Å; D815-D818 PolarHBondContact O-N 2.95Å; D815-C819 WeakPolarHBondContact O-CB 3.41Å; D815-C819 PolarHBondContact O-N 2.94Å; D815-C819 PolarHBondContact O-SG 2.8Å; D815-R852 IonicContact OD1-CZ 2.96Å; D815-R852 IonicContact OD1-NH1 3.27Å; D815-R852 IonicContact OD1-NH2 2.62Å; D815-R852 PolarHBondContact OD1-NH2 3.08Å
816Q83.8Confident82.3Confident66 Ų6656.2 Ų56.231%0.30830%0.297SS..Hα-helixtrans-69.2-38.3175.5-68.1-61.8-28.200112.3W793 R812 V813 I814 D818 C819 L820W793-Q816 HydrophobicContact CD2-CB 3.62Å; W793-Q816 HydrophobicContact CD2-CG 4.23Å; W793-Q816 HydrophobicContact CE3-CB 3.71Å; W793-Q816 HydrophobicContact CE3-CG 4.1Å; W793-Q816 HydrophobicContact CG-CB 4.18Å; W793-Q816 HydrophobicContact CH2-CB 4.16Å; W793-Q816 HydrophobicContact CH2-CG 3.67Å; W793-Q816 HydrophobicContact CZ2-CB 4.05Å; W793-Q816 HydrophobicContact CZ2-CG 3.78Å; W793-Q816 HydrophobicContact CZ3-CB 3.98Å; W793-Q816 HydrophobicContact CZ3-CG 3.82Å; R812-Q816 WeakPolarHBondContact O-CG 3.49Å; R812-Q816 PolarHBondContact O-N 2.92Å; R812-Q816 VanDerWaalsContact O-N 3.09Å; V813-Q816 PolarHBondContact O-N 3.23Å; I814-Q816 VanDerWaalsContact C-N 3.33Å; I814-Q816 PolarHBondContact O-N 3.42Å; Q816-D818 VanDerWaalsContact C-N 3.31Å; Q816-D818 PolarHBondContact O-N 2.8Å; Q816-C819 PolarHBondContact O-N 3.46Å; Q816-L820 VanDerWaalsContact O-CB 3.31Å; Q816-L820 WeakPolarHBondContact O-CB 3.15Å; Q816-L820 WeakPolarHBondContact O-CG 3.12Å; Q816-L820 PolarHBondContact O-N 2.87Å
817V83.7Confident82.4Confident0 Ų056.9 Ų56.90%030%0.304CS..Hα-helixtrans-61.6-39.4173.5169.90000111.4W793 L794 V813 I814 N821 L822 A823 V828W793-V817 HydrophobicContact CB-CG2 3.81Å; L794-V817 HydrophobicContact CD2-CG1 4.22Å; L794-V817 HydrophobicContact CD2-CG2 4.3Å; V813-V817 HydrophobicContact CG1-CG2 4.37Å; V813-V817 VanDerWaalsContact O-CG2 3.31Å; V813-V817 WeakPolarHBondContact O-CG2 3.35Å; V813-V817 PolarHBondContact O-N 3.41Å; I814-V817 PolarHBondContact O-N 2.82Å; V817-N821 PolarHBondContact O-N 2.85Å; V817-N821 VanDerWaalsContact O-N 3.08Å; V817-L822 HydrophobicContact CG1-CB 4.3Å; V817-L822 PolarHBondContact O-N 2.87Å; V817-L822 VanDerWaalsContact O-N 3.08Å; V817-A823 HydrophobicContact CG1-CB 4.24Å; V817-V828 HydrophobicContact CG1-CG2 4Å
818D82.5Confident82.6Confident40 Ų4055 Ų5521%0.21429%0.291CS..Hα-helixtrans-68.6-49.7175.5-171.938000111.3I814 D815 Q816 L820 N821 Y849 R852I814-D818 WeakPolarHBondContact O-CB 3.4Å; I814-D818 PolarHBondContact O-N 2.69Å; D815-D818 PolarHBondContact O-N 2.95Å; Q816-D818 VanDerWaalsContact C-N 3.31Å; Q816-D818 PolarHBondContact O-N 2.8Å; D818-L820 VanDerWaalsContact C-N 3.26Å; D818-L820 PolarHBondContact O-N 3.49Å; D818-N821 PolarHBondContact O-N 2.87Å; D818-Y849 HydrophobicContact CB-CD2 3.88Å; D818-Y849 HydrophobicContact CB-CE2 3.72Å; D818-R852 IonicContact OD2-CZ 3.57Å; D818-R852 IonicContact OD2-NH1 3.71Å; D818-R852 PolarHBondContact OD2-NH1 3.03Å
819C82.6Confident82.6Confident94 Ų9451.8 Ų51.864%0.63527%0.273SS*.Hα-helixtrans-59.7-36.2179-73.50000112.9D815 Q816D815-C819 WeakPolarHBondContact O-CB 3.41Å; D815-C819 PolarHBondContact O-N 2.94Å; D815-C819 PolarHBondContact O-SG 2.8Å; Q816-C819 PolarHBondContact O-N 3.46Å
820L81.6Confident82.4Confident59 Ų5954.8 Ų54.831%0.30929%0.287SS..THydrogen-bonded Turntrans-89.1-1.9177.8-63.5172.5000113P790 Q816 D818 L822P790-L820 HydrophobicContact CB-CD1 4.2Å; Q816-L820 VanDerWaalsContact O-CB 3.31Å; Q816-L820 WeakPolarHBondContact O-CB 3.15Å; Q816-L820 WeakPolarHBondContact O-CG 3.12Å; Q816-L820 PolarHBondContact O-N 2.87Å; D818-L820 VanDerWaalsContact C-N 3.26Å; D818-L820 PolarHBondContact O-N 3.49Å; L820-L822 VanDerWaalsContact C-N 3.27Å; L820-L822 HydrophobicContact CB-CD1 3.96Å; L820-L822 HydrophobicContact CB-CD2 3.81Å; L820-L822 HydrophobicContact CB-CG 3.59Å; L820-L822 HydrophobicContact CD1-CD1 4.16Å; L820-L822 PolarHBondContact O-N 2.97Å
821N80.6Confident82.1Confident129 Ų12956.6 Ų56.669%0.6930%0.296SS*.THydrogen-bonded Turntrans49.143.7-179.1-17249.8000113.3V817 D818V817-N821 PolarHBondContact O-N 2.85Å; V817-N821 VanDerWaalsContact O-N 3.08Å; D818-N821 PolarHBondContact O-N 2.87Å
822L79.6Confident81.7Confident48 Ų4852.7 Ų52.725%0.25128%0.279SS..  trans-80.2-30.6-170.6-58.3177000114P790 W793 L794 V817 L820P790-L822 HydrophobicContact CB-CD1 3.66Å; P790-L822 HydrophobicContact CB-CD2 3.28Å; P790-L822 HydrophobicContact CB-CG 4.07Å; P790-L822 HydrophobicContact CG-CD2 4.24Å; P790-L822 WeakPolarHBondContact O-CD1 3.42Å; W793-L822 HydrophobicContact CB-CD1 4.1Å; L794-L822 HydrophobicContact CD2-CB 4.44Å; L794-L822 HydrophobicContact CG-CB 4.48Å; V817-L822 HydrophobicContact CG1-CB 4.3Å; V817-L822 PolarHBondContact O-N 2.87Å; V817-L822 VanDerWaalsContact O-N 3.08Å; L820-L822 VanDerWaalsContact C-N 3.27Å; L820-L822 HydrophobicContact CB-CD1 3.96Å; L820-L822 HydrophobicContact CB-CD2 3.81Å; L820-L822 HydrophobicContact CB-CG 3.59Å; L820-L822 HydrophobicContact CD1-CD1 4.16Å; L820-L822 PolarHBondContact O-N 2.97Å
823A78Confident81.2Confident13 Ų1350.8 Ų50.811%0.10728%0.284CS..SBendtrans-138.7142.7-178.500000109.8L794 V817 V827 V828L794-A823 HydrophobicContact CD2-CB 4Å; V817-A823 HydrophobicContact CG1-CB 4.24Å; A823-V827 HydrophobicContact CB-CB 4.2Å; A823-V827 HydrophobicContact CB-CG1 4.05Å; A823-V828 HydrophobicContact CB-CG2 3.62Å
824T81.9Confident80.6Confident83 Ų8357.1 Ų57.151%0.50932%0.318SS..  trans-64.9151.7168.467.30000109L826 V827 V828T824-L826 PolarHBondContact O-N 3.45Å; T824-L826 VanDerWaalsContact O-N 3.07Å; T824-V827 PolarHBondContact O-N 3.44Å; T824-V827 WeakPolarHBondContact OG1-CG2 3.48Å; T824-V827 PolarHBondContact OG1-N 3.12Å; T824-V828 PolarHBondContact O-N 3.36Å
825P80.6Confident79.4Confident17 Ų1757.4 Ų57.411%0.1132%0.32CS..Hα-helixtrans-57.3-28.8178.5-20.225.6000113.6V828 L829 Y849 L850 H853P825-V828 PolarHBondContact O-N 2.97Å; P825-L829 VanDerWaalsContact O-CB 3.29Å; P825-L829 WeakPolarHBondContact O-CB 3.39Å; P825-L829 WeakPolarHBondContact O-CG 3.39Å; P825-L829 PolarHBondContact O-N 2.76Å; P825-Y849 VanDerWaalsContact CA-OH 3.26Å; P825-Y849 WeakPolarHBondContact CA-OH 3.37Å; P825-Y849 HydrophobicContact CB-CE1 3.91Å; P825-Y849 HydrophobicContact CG-CE1 4.48Å; P825-L850 HydrophobicContact CB-CD2 4.45Å; P825-H853 VanDerWaalsContact CD-CE1 3.41Å; P825-H853 WeakPolarHBondContact CD-CE1 3.18Å; P825-H853 HydrophobicContact CG-CB 3.81Å; P825-H853 WeakPolarHBondContact CG-CD2 3.26Å; P825-H853 WeakPolarHBondContact CG-CE1 3.35Å; P825-H853 VanDerWaalsContact CG-ND1 3.26Å; P825-H853 WeakPolarHBondContact CG-ND1 3.2Å; P825-H853 WeakPolarHBondContact CG-NE2 2.94Å
826L81.5Confident78.6Confident111 Ų11160 Ų6058%0.58134%0.335SS*.Hα-helixtrans-64.5-44175.1-174.565000111.2T824 L829 Q830T824-L826 PolarHBondContact O-N 3.45Å; T824-L826 VanDerWaalsContact O-N 3.07Å; L826-L829 PolarHBondContact O-N 2.99Å; L826-Q830 WeakPolarHBondContact O-CB 2.79Å; L826-Q830 VanDerWaalsContact O-CG 3.27Å; L826-Q830 WeakPolarHBondContact O-CG 3.33Å; L826-Q830 PolarHBondContact O-N 2.78Å
827V81.4Confident77.6Confident57 Ų5762.7 Ų62.735%0.34536%0.357SS..Hα-helixtrans-66.8-43.4176.11740000110.5A823 T824 L829 Q830 L831A823-V827 HydrophobicContact CB-CB 4.2Å; A823-V827 HydrophobicContact CB-CG1 4.05Å; T824-V827 PolarHBondContact O-N 3.44Å; T824-V827 WeakPolarHBondContact OG1-CG2 3.48Å; T824-V827 PolarHBondContact OG1-N 3.12Å; V827-L829 VanDerWaalsContact C-N 3.29Å; V827-L829 PolarHBondContact O-N 2.85Å; V827-Q830 PolarHBondContact O-N 2.83Å; V827-L831 HydrophobicContact CG1-CD1 4.01Å; V827-L831 HydrophobicContact CG1-CG 4.28Å; V827-L831 WeakPolarHBondContact O-CB 3.4Å; V827-L831 VanDerWaalsContact O-CG 3.29Å; V827-L831 WeakPolarHBondContact O-CG 3.48Å; V827-L831 PolarHBondContact O-N 2.88Å
828V81.7Confident76.6Confident0 Ų071 Ų710%040%0.396CS..Hα-helixtrans-58.2-44.1175175.80000110.7L797 V817 A823 T824 P825 L831 L832 Y849L797-V828 HydrophobicContact CD2-CG1 4.2Å; V817-V828 HydrophobicContact CG1-CG2 4Å; A823-V828 HydrophobicContact CB-CG2 3.62Å; T824-V828 PolarHBondContact O-N 3.36Å; P825-V828 PolarHBondContact O-N 2.97Å; V828-L831 PolarHBondContact O-N 2.87Å; V828-L832 HydrophobicContact CG1-CD1 3.89Å; V828-L832 HydrophobicContact CG1-CG 4.49Å; V828-L832 WeakPolarHBondContact O-CB 3.32Å; V828-L832 WeakPolarHBondContact O-CG 3.43Å; V828-L832 PolarHBondContact O-N 2.64Å; V828-Y849 HydrophobicContact CB-CE1 3.98Å; V828-Y849 HydrophobicContact CG1-CD1 4.42Å; V828-Y849 HydrophobicContact CG1-CE1 3.79Å; V828-Y849 HydrophobicContact CG2-CE1 4.3Å; V828-Y849 WeakPolarHBondContact CG2-OH 3.44Å
829L80.8Confident75.8Confident51 Ų5173.4 Ų73.427%0.26741%0.406SS..Hα-helixtrans-64.8-42.6176-76.4172.1000112.3P825 L826 V827 L832 C833 I846 L850P825-L829 VanDerWaalsContact O-CB 3.29Å; P825-L829 WeakPolarHBondContact O-CB 3.39Å; P825-L829 WeakPolarHBondContact O-CG 3.39Å; P825-L829 PolarHBondContact O-N 2.76Å; L826-L829 PolarHBondContact O-N 2.99Å; V827-L829 VanDerWaalsContact C-N 3.29Å; V827-L829 PolarHBondContact O-N 2.85Å; L829-L832 PolarHBondContact O-N 3.12Å; L829-C833 WeakPolarHBondContact O-CB 3.48Å; L829-C833 PolarHBondContact O-N 3.45Å; L829-C833 PolarHBondContact O-SG 3.28Å; L829-I846 HydrophobicContact CD2-CD1 4.03Å; L829-L850 HydrophobicContact CD1-CD2 3.8Å; L829-L850 HydrophobicContact CD2-CD1 4.19Å; L829-L850 HydrophobicContact CD2-CD2 4.08Å; L829-L850 HydrophobicContact CG-CD2 4.02Å
830Q79.7Confident75Confident104 Ų10471.3 Ų71.349%0.48639%0.392SS..Hα-helixtrans-59.8-47.6175.6-76.2171.9-21.200111L826 V827 L832 C833 D834L826-Q830 WeakPolarHBondContact O-CB 2.79Å; L826-Q830 VanDerWaalsContact O-CG 3.27Å; L826-Q830 WeakPolarHBondContact O-CG 3.33Å; L826-Q830 PolarHBondContact O-N 2.78Å; V827-Q830 PolarHBondContact O-N 2.83Å; Q830-L832 VanDerWaalsContact C-N 3.26Å; Q830-L832 PolarHBondContact O-N 2.72Å; Q830-C833 CarbonylContact O-C 3.55Å; Q830-C833 PolarHBondContact O-N 2.88Å; Q830-D834 PolarHBondContact O-N 2.86Å
831L77.7Confident74.4Confident39 Ų3969.3 Ų69.320%0.20438%0.383CS..Hα-helixtrans-62.3-32.3177.9-67.9174.2000113L794 L797 I798 V827 V828L794-L831 HydrophobicContact CD2-CD1 4.44Å; L797-L831 HydrophobicContact CD2-CD1 4.12Å; I798-L831 HydrophobicContact CD1-CD2 4.12Å; I798-L831 HydrophobicContact CG1-CD1 4.5Å; I798-L831 HydrophobicContact CG1-CD2 4.02Å; V827-L831 HydrophobicContact CG1-CD1 4.01Å; V827-L831 HydrophobicContact CG1-CG 4.28Å; V827-L831 WeakPolarHBondContact O-CB 3.4Å; V827-L831 VanDerWaalsContact O-CG 3.29Å; V827-L831 WeakPolarHBondContact O-CG 3.48Å; V827-L831 PolarHBondContact O-N 2.88Å; V828-L831 PolarHBondContact O-N 2.87Å
832L76.3Confident74Confident2 Ų269.2 Ų69.21%0.0138%0.382CS..Hα-helixtrans-80.8-19.8175.4-68.2171.9000113.3L797 A801 L810 I814 V828 L829 Q830 I846L797-L832 HydrophobicContact CD1-CD2 3.98Å; A801-L832 HydrophobicContact CB-CD2 3.84Å; L810-L832 HydrophobicContact CD1-CD2 4.1Å; L810-L832 HydrophobicContact CD2-CD2 4.31Å; I814-L832 HydrophobicContact CD1-CD1 4.3Å; V828-L832 HydrophobicContact CG1-CD1 3.89Å; V828-L832 HydrophobicContact CG1-CG 4.49Å; V828-L832 WeakPolarHBondContact O-CB 3.32Å; V828-L832 WeakPolarHBondContact O-CG 3.43Å; V828-L832 PolarHBondContact O-N 2.64Å; L829-L832 PolarHBondContact O-N 3.12Å; Q830-L832 VanDerWaalsContact C-N 3.26Å; Q830-L832 PolarHBondContact O-N 2.72Å; L832-I846 HydrophobicContact CD1-CD1 4.3Å; L832-I846 HydrophobicContact CD1-CG2 3.41Å; L832-I846 VanDerWaalsContact CD1-CG2 3.41Å
833C75.1Confident73.7Confident88 Ų8871.6 Ų71.660%0.59540%0.399SS*.Hα-helixtrans-102.6-12.2-177.5-71.50000114.1L829 Q830 S835L829-C833 WeakPolarHBondContact O-CB 3.48Å; L829-C833 PolarHBondContact O-N 3.45Å; L829-C833 PolarHBondContact O-SG 3.28Å; Q830-C833 CarbonylContact O-C 3.55Å; Q830-C833 PolarHBondContact O-N 2.88Å; C833-S835 PolarHBondContact O-N 2.65Å
834D72.2Confident73.7Confident134 Ų13473.3 Ų73.372%0.71742%0.418SS*.SBendtrans-65.8-12.9174.3-84.3-9.6000112.6Q830Q830-D834 PolarHBondContact O-N 2.86Å
835S61.7Low73.4Confident8 Ų870.3 Ų70.36%0.05640%0.399CS..SBendtrans-78.1152.8179.6-52.20000113.4H802 C833 C840H802-S835 PolarHBondContact CD2-OG 3.31Å; H802-S835 PolarHBondContact CE1-OG 2.88Å; H802-S835 PolarHBondContact NE2-OG 3.37Å; C833-S835 PolarHBondContact O-N 2.65Å; S835-C840 PolarHBondContact O-SG 3.05Å
836D67Low73.3Confident118 Ų11870 Ų7063%0.63140%0.396SS*.  trans-56.7142.9177.3-74.6-43.5000111.8E838 H839 C840D836-E838 PolarHBondContact O-N 3.48Å; D836-H839 PolarHBondContact O-N 2.87Å; D836-C840 PolarHBondContact O-N 3.22Å; D836-C840 PolarHBondContact O-SG 3.28Å
837P63.8Low73.4Confident121 Ų12172.3 Ų72.379%0.78640%0.397SS*.THydrogen-bonded Turntrans-53.5-26.4-174.9-2531.5000115
838E63.1Low73.4Confident175 Ų17574.4 Ų74.482%0.81841%0.407SS*.THydrogen-bonded Turntrans-78.5-21.4-179.1-62.9-174.8172.300113.7D836D836-E838 PolarHBondContact O-N 3.48Å
839H65.1Low73.4Confident90 Ų9074.6 Ų74.642%0.41741%0.407SS..THydrogen-bonded Turntrans-113.34.8-175.6-66.782.4000113.3D836D836-H839 PolarHBondContact O-N 2.87Å
840C65.9Low73.5Confident51 Ų5174.1 Ų74.135%0.34541%0.405SS..PPolyproline II helixtrans-64140.8-178.8-68.40000112.8S835 D836S835-C840 PolarHBondContact O-SG 3.05Å; D836-C840 PolarHBondContact O-N 3.22Å; D836-C840 PolarHBondContact O-SG 3.28Å
841C68.8Low73.8Confident17 Ų1772.5 Ų72.512%0.11540%0.399CS..PPolyproline II helixtrans-62.5141.7172.268.50000111.6L810L810-C841 HydrophobicContact CD2-CB 3.67Å
842N72.4Confident74Confident126 Ų12675.6 Ų75.667%0.67441%0.408SS*.PPolyproline II helixtrans-69.3138178.3-161.5-5.2000109.9G844 T845N842-G844 PolarHBondContact O-N 3.04Å; N842-T845 VanDerWaalsContact O-CB 3.26Å; N842-T845 WeakPolarHBondContact O-CB 3.3Å; N842-T845 PolarHBondContact O-N 2.76Å; N842-T845 PolarHBondContact O-OG1 3.2Å
843V73.3Confident74.2Confident99 Ų9979.2 Ų79.260%0.643%0.425SS*.Hα-helixtrans-56.3-26.7-177.9178.70000112.1T845 I846 R847V843-T845 PolarHBondContact O-N 2.74Å; V843-I846 PolarHBondContact O-N 3.06Å; V843-R847 PolarHBondContact O-N 3.27Å
844G77.2Confident74.6Confident49 Ų4980.6 Ų80.651%0.50543%0.426SS..Hα-helixtrans-57.5-27172.900000114.4N842N842-G844 PolarHBondContact O-N 3.04Å
845T76.5Confident75.3Confident19 Ų1979.8 Ų79.812%0.11742%0.418CS..Hα-helixtrans-73.5-35.9-179.5-41.90000112.1L810 K811 N842 V843L810-T845 HydrophobicContact CD2-CG2 4.22Å; L810-T845 HydrophobicContact CG-CG2 4.44Å; K811-T845 HydrophobicContact CD-CG2 4.38Å; K811-T845 HydrophobicContact CG-CG2 3.6Å; N842-T845 VanDerWaalsContact O-CB 3.26Å; N842-T845 WeakPolarHBondContact O-CB 3.3Å; N842-T845 PolarHBondContact O-N 2.76Å; N842-T845 PolarHBondContact O-OG1 3.2Å; V843-T845 PolarHBondContact O-N 2.74Å
846I78.6Confident76.3Confident11 Ų1181 Ų816%0.05643%0.431CS..Hα-helixtrans-98.8-9.7-176.523.5171.4000113.5I814 L829 L832 V843 D848 Y849 L850I814-I846 HydrophobicContact CD1-CG2 3.68Å; L829-I846 HydrophobicContact CD2-CD1 4.03Å; L832-I846 HydrophobicContact CD1-CD1 4.3Å; L832-I846 HydrophobicContact CD1-CG2 3.41Å; L832-I846 VanDerWaalsContact CD1-CG2 3.41Å; V843-I846 PolarHBondContact O-N 3.06Å; I846-D848 VanDerWaalsContact C-N 3.31Å; I846-D848 PolarHBondContact O-N 3.46Å; I846-Y849 WeakPolarHBondContact O-CB 3.46Å; I846-Y849 PolarHBondContact O-N 3.25Å; I846-Y849 VanDerWaalsContact O-N 3.16Å; I846-L850 WeakPolarHBondContact O-CG 3.5Å; I846-L850 PolarHBondContact O-N 2.66Å
847R82.6Confident76.9Confident160 Ų16076.4 Ų76.460%0.60441%0.412SS*.Hα-helixtrans-51.2-47.8-175.2178.8178.5174.8163.6-0.8112.7V843 Y849 L850 L851V843-R847 PolarHBondContact O-N 3.27Å; R847-Y849 VanDerWaalsContact C-N 3.35Å; R847-Y849 PolarHBondContact O-N 3.32Å; R847-L850 PolarHBondContact O-N 3.01Å; R847-L851 HydrophobicContact CG-CD1 3.88Å; R847-L851 HydrophobicContact CG-CG 4.46Å; R847-L851 WeakPolarHBondContact O-CB 3.39Å; R847-L851 VanDerWaalsContact O-CG 3.3Å; R847-L851 WeakPolarHBondContact O-CG 3.48Å; R847-L851 PolarHBondContact O-N 3.39Å
848D81.6Confident77.9Confident101 Ų10173.4 Ų73.454%0.5439%0.394SS..Hα-helixtrans-71.3-32.2-174.8-62.7-24.3000112.4I846 R852I846-D848 VanDerWaalsContact C-N 3.31Å; I846-D848 PolarHBondContact O-N 3.46Å; D848-R852 WeakPolarHBondContact O-CB 3.5Å; D848-R852 WeakPolarHBondContact O-CG 3.11Å; D848-R852 PolarHBondContact O-N 2.84Å; D848-R852 VanDerWaalsContact O-N 3.15Å; D848-R852 PolarHBondContact O-NE 2.96Å
849Y82.6Confident79Confident4 Ų470.2 Ų70.22%0.01638%0.382CS..Hα-helixtrans-65.4-49.2172.9168.6-111.5000111.3I814 D818 P825 V828 I846 R847 L851 R852 H853I814-Y849 HydrophobicContact CG2-CD1 4.07Å; I814-Y849 HydrophobicContact CG2-CD2 3.87Å; I814-Y849 HydrophobicContact CG2-CG 3.62Å; D818-Y849 HydrophobicContact CB-CD2 3.88Å; D818-Y849 HydrophobicContact CB-CE2 3.72Å; P825-Y849 VanDerWaalsContact CA-OH 3.26Å; P825-Y849 WeakPolarHBondContact CA-OH 3.37Å; P825-Y849 HydrophobicContact CB-CE1 3.91Å; P825-Y849 HydrophobicContact CG-CE1 4.48Å; V828-Y849 HydrophobicContact CB-CE1 3.98Å; V828-Y849 HydrophobicContact CG1-CD1 4.42Å; V828-Y849 HydrophobicContact CG1-CE1 3.79Å; V828-Y849 HydrophobicContact CG2-CE1 4.3Å; V828-Y849 WeakPolarHBondContact CG2-OH 3.44Å; I846-Y849 WeakPolarHBondContact O-CB 3.46Å; I846-Y849 PolarHBondContact O-N 3.25Å; I846-Y849 VanDerWaalsContact O-N 3.16Å; R847-Y849 VanDerWaalsContact C-N 3.35Å; R847-Y849 PolarHBondContact O-N 3.32Å; Y849-L851 PolarHBondContact O-N 2.84Å; Y849-R852 PolarHBondContact O-N 2.85Å; Y849-H853 PolarHBondContact O-N 2.96Å; Y849-H853 VanDerWaalsContact O-N 3.08Å
850L82Confident79.7Confident40 Ų4075.2 Ų75.221%0.20940%0.398CS..Hα-helixtrans-64.2-41.3-179.8-64.6176.6000112.3P825 L829 I846 R847 H853 L854P825-L850 HydrophobicContact CB-CD2 4.45Å; L829-L850 HydrophobicContact CD1-CD2 3.8Å; L829-L850 HydrophobicContact CD2-CD1 4.19Å; L829-L850 HydrophobicContact CD2-CD2 4.08Å; L829-L850 HydrophobicContact CG-CD2 4.02Å; I846-L850 WeakPolarHBondContact O-CG 3.5Å; I846-L850 PolarHBondContact O-N 2.66Å; R847-L850 PolarHBondContact O-N 3.01Å; L850-H853 PolarHBondContact O-N 2.88Å; L850-L854 WeakPolarHBondContact O-CB 3.31Å; L850-L854 VanDerWaalsContact O-CG 3.22Å; L850-L854 WeakPolarHBondContact O-CG 3.27Å; L850-L854 PolarHBondContact O-N 2.85Å
851L85.4Confident80.6Confident70 Ų7077.3 Ų77.337%0.36640%0.404SS..Hα-helixtrans-61.9-47.8177.3-74173.7000111.2R847 Y849 H853 L854 E855R847-L851 HydrophobicContact CG-CD1 3.88Å; R847-L851 HydrophobicContact CG-CG 4.46Å; R847-L851 WeakPolarHBondContact O-CB 3.39Å; R847-L851 VanDerWaalsContact O-CG 3.3Å; R847-L851 WeakPolarHBondContact O-CG 3.48Å; R847-L851 PolarHBondContact O-N 3.39Å; Y849-L851 PolarHBondContact O-N 2.84Å; L851-H853 VanDerWaalsContact C-N 3.31Å; L851-H853 PolarHBondContact O-N 2.95Å; L851-L854 PolarHBondContact O-N 2.82Å; L851-E855 WeakPolarHBondContact O-CB 3.23Å; L851-E855 VanDerWaalsContact O-CG 3.28Å; L851-E855 WeakPolarHBondContact O-CG 3.35Å; L851-E855 PolarHBondContact O-N 3.34Å
852R82.5Confident81.6Confident105 Ų10580 Ų8040%0.39642%0.418SS..Hα-helixtrans-55-46.7175.9-81.8-177.2-75.1166.6-18.8112.1D815 D818 D848 Y849 G856D815-R852 IonicContact OD1-CZ 2.96Å; D815-R852 IonicContact OD1-NH1 3.27Å; D815-R852 IonicContact OD1-NH2 2.62Å; D815-R852 PolarHBondContact OD1-NH2 3.08Å; D818-R852 IonicContact OD2-CZ 3.57Å; D818-R852 IonicContact OD2-NH1 3.71Å; D818-R852 PolarHBondContact OD2-NH1 3.03Å; D848-R852 WeakPolarHBondContact O-CB 3.5Å; D848-R852 WeakPolarHBondContact O-CG 3.11Å; D848-R852 PolarHBondContact O-N 2.84Å; D848-R852 VanDerWaalsContact O-N 3.15Å; D848-R852 PolarHBondContact O-NE 2.96Å; Y849-R852 PolarHBondContact O-N 2.85Å; R852-G856 PolarHBondContact O-N 2.93Å
853H81.8Confident82.3Confident77 Ų7778 Ų7836%0.35641%0.413SS..Hα-helixtrans-70.8-40-178.1-162.696.3000113P825 Y849 L850 L851 G856 G857P825-H853 VanDerWaalsContact CD-CE1 3.41Å; P825-H853 WeakPolarHBondContact CD-CE1 3.18Å; P825-H853 HydrophobicContact CG-CB 3.81Å; P825-H853 WeakPolarHBondContact CG-CD2 3.26Å; P825-H853 WeakPolarHBondContact CG-CE1 3.35Å; P825-H853 VanDerWaalsContact CG-ND1 3.26Å; P825-H853 WeakPolarHBondContact CG-ND1 3.2Å; P825-H853 WeakPolarHBondContact CG-NE2 2.94Å; Y849-H853 PolarHBondContact O-N 2.96Å; Y849-H853 VanDerWaalsContact O-N 3.08Å; L850-H853 PolarHBondContact O-N 2.88Å; L851-H853 VanDerWaalsContact C-N 3.31Å; L851-H853 PolarHBondContact O-N 2.95Å; H853-G856 PolarHBondContact O-N 3.01Å; H853-G857 PolarHBondContact O-N 2.99Å
854L82.2Confident82.7Confident117 Ų11779.2 Ų79.261%0.61341%0.414SS*.Hα-helixtrans-66.5-41.3178-72.6171.6000111.8L850 L851 G857 S858L850-L854 WeakPolarHBondContact O-CB 3.31Å; L850-L854 VanDerWaalsContact O-CG 3.22Å; L850-L854 WeakPolarHBondContact O-CG 3.27Å; L850-L854 PolarHBondContact O-N 2.85Å; L851-L854 PolarHBondContact O-N 2.82Å; L854-G857 PolarHBondContact O-N 3.41Å; L854-S858 VanDerWaalsContact O-CB 3.32Å; L854-S858 WeakPolarHBondContact O-CB 3.23Å; L854-S858 PolarHBondContact O-N 3.26Å
855E87.2Confident83.2Confident118 Ų11882.8 Ų82.855%0.55142%0.415SS*.Hα-helixtrans-65.7-45175.1-72176.8-179.500111.1L851 G857 S858 N859L851-E855 WeakPolarHBondContact O-CB 3.23Å; L851-E855 VanDerWaalsContact O-CG 3.28Å; L851-E855 WeakPolarHBondContact O-CG 3.35Å; L851-E855 PolarHBondContact O-N 3.34Å; E855-G857 VanDerWaalsContact C-N 3.34Å; E855-G857 PolarHBondContact O-N 2.88Å; E855-S858 PolarHBondContact O-N 2.82Å; E855-N859 WeakPolarHBondContact O-CB 3.4Å; E855-N859 PolarHBondContact O-N 3.22Å; E855-N859 PolarHBondContact O-ND2 3.5Å
856G81.9Confident83.9Confident32 Ų3287.3 Ų87.333%0.3344%0.439SS..Hα-helixtrans-58.7-44.217400000112.6R852 H853 N859 R860R852-G856 PolarHBondContact O-N 2.93Å; H853-G856 PolarHBondContact O-N 3.01Å; G856-N859 PolarHBondContact O-N 3.31Å; G856-R860 WeakPolarHBondContact O-CG 3.21Å; G856-R860 PolarHBondContact O-N 3.34Å
857G79.5Confident84.3Confident23 Ų2389.6 Ų89.624%0.23745%0.449CS..Hα-helixtrans-63.1-46.5175.600000112.6H853 L854 E855 N859 R860 I861H853-G857 PolarHBondContact O-N 2.99Å; L854-G857 PolarHBondContact O-N 3.41Å; E855-G857 VanDerWaalsContact C-N 3.34Å; E855-G857 PolarHBondContact O-N 2.88Å; G857-N859 VanDerWaalsContact C-N 3.33Å; G857-N859 PolarHBondContact O-N 2.57Å; G857-R860 PolarHBondContact O-N 3.39Å; G857-I861 VanDerWaalsContact O-CG1 3.3Å; G857-I861 WeakPolarHBondContact O-CG1 3.49Å; G857-I861 PolarHBondContact O-N 3.46Å
858S85.6Confident84.4Confident58 Ų5884.6 Ų84.641%0.40644%0.437SS..Hα-helixtrans-58.8-44.1176.8-174.20000111.8L854 E855 R860 I861 N862L854-S858 VanDerWaalsContact O-CB 3.32Å; L854-S858 WeakPolarHBondContact O-CB 3.23Å; L854-S858 PolarHBondContact O-N 3.26Å; E855-S858 PolarHBondContact O-N 2.82Å; S858-R860 PolarHBondContact O-N 3Å; S858-I861 PolarHBondContact O-N 3.09Å; S858-N862 WeakPolarHBondContact O-CB 3.48Å; S858-N862 VanDerWaalsContact O-CG 3.28Å; S858-N862 PolarHBondContact O-N 3.39Å; S858-N862 PolarHBondContact O-ND2 3.2Å
859N86.1Confident84.8Confident107 Ų10783.6 Ų83.657%0.57243%0.431SS*.Hα-helixtrans-63.3-42.6177.6-70.2-23.7000112E855 G856 G857 N862 S863E855-N859 WeakPolarHBondContact O-CB 3.4Å; E855-N859 PolarHBondContact O-N 3.22Å; E855-N859 PolarHBondContact O-ND2 3.5Å; G856-N859 PolarHBondContact O-N 3.31Å; G857-N859 VanDerWaalsContact C-N 3.33Å; G857-N859 PolarHBondContact O-N 2.57Å; N859-N862 PolarHBondContact O-N 2.93Å; N859-S863 PolarHBondContact O-N 3Å
860R79.6Confident85.2Confident196 Ų19690.5 Ų90.574%0.7446%0.457SS*.Hα-helixtrans-63.1-44174.9-73.6174.668.4-170.52.1112.1G856 G857 S858 N862 S863 M864G856-R860 WeakPolarHBondContact O-CG 3.21Å; G856-R860 PolarHBondContact O-N 3.34Å; G857-R860 PolarHBondContact O-N 3.39Å; S858-R860 PolarHBondContact O-N 3Å; R860-N862 VanDerWaalsContact C-N 3.35Å; R860-N862 PolarHBondContact O-N 3.05Å; R860-S863 PolarHBondContact O-N 2.81Å; R860-M864 WeakPolarHBondContact O-CB 3.27Å; R860-M864 PolarHBondContact O-N 3.03Å
861I84.9Confident85.3Confident95 Ų9592.3 Ų92.349%0.48747%0.467SS..Hα-helixtrans-61.7-43.9177.8-69.6166.4000110.7G857 S858 M864 K865G857-I861 VanDerWaalsContact O-CG1 3.3Å; G857-I861 WeakPolarHBondContact O-CG1 3.49Å; G857-I861 PolarHBondContact O-N 3.46Å; S858-I861 PolarHBondContact O-N 3.09Å; I861-M864 PolarHBondContact O-N 2.99Å; I861-K865 HydrophobicContact CG2-CD 4.22Å; I861-K865 HydrophobicContact CG2-CG 4.49Å; I861-K865 WeakPolarHBondContact O-CG 3.07Å; I861-K865 PolarHBondContact O-N 2.87Å
862N89.8Confident85.4Confident74 Ų7497.1 Ų97.140%0.39648%0.48SS..Hα-helixtrans-65.2-41.7178.7-71.1-25.1000111.8S858 N859 R860 M864 K865 N866S858-N862 WeakPolarHBondContact O-CB 3.48Å; S858-N862 VanDerWaalsContact O-CG 3.28Å; S858-N862 PolarHBondContact O-N 3.39Å; S858-N862 PolarHBondContact O-ND2 3.2Å; N859-N862 PolarHBondContact O-N 2.93Å; R860-N862 VanDerWaalsContact C-N 3.35Å; R860-N862 PolarHBondContact O-N 3.05Å; N862-M864 VanDerWaalsContact C-N 3.33Å; N862-M864 PolarHBondContact O-N 2.67Å; N862-K865 PolarHBondContact O-N 2.98Å; N862-N866 VanDerWaalsContact O-CG 3.28Å; N862-N866 PolarHBondContact O-N 3.18Å; N862-N866 VanDerWaalsContact O-N 3.13Å; N862-N866 PolarHBondContact O-ND2 2.82Å
863S87.4Confident85.7Confident83 Ų8399.7 Ų99.758%0.5849%0.494SS*.Hα-helixtrans-60.3-43.4173.8-169.70000111.7N859 R860 N866 E867N859-S863 PolarHBondContact O-N 3Å; R860-S863 PolarHBondContact O-N 2.81Å; S863-N866 PolarHBondContact O-N 2.87Å; S863-E867 PolarHBondContact O-N 2.89Å; S863-E867 VanDerWaalsContact O-N 3.15Å
864M80.7Confident86Confident124 Ų124101.1 Ų101.161%0.61150%0.501SS*.Hα-helixtrans-67.7-40.4179.8-167.26469.400112.3R860 I861 N862 N866 E867 V868R860-M864 WeakPolarHBondContact O-CB 3.27Å; R860-M864 PolarHBondContact O-N 3.03Å; I861-M864 PolarHBondContact O-N 2.99Å; N862-M864 VanDerWaalsContact C-N 3.33Å; N862-M864 PolarHBondContact O-N 2.67Å; M864-N866 VanDerWaalsContact C-N 3.35Å; M864-N866 PolarHBondContact O-N 2.91Å; M864-E867 PolarHBondContact O-N 2.9Å; M864-V868 WeakPolarHBondContact O-CG2 3.45Å; M864-V868 PolarHBondContact O-N 3.44Å
865K88.5Confident86.1Confident124 Ų12498.7 Ų98.754%0.53949%0.491SS..Hα-helixtrans-59.1-45.7175.3-78.4177179.71740111.9I861 N862 E867 V868 D869I861-K865 HydrophobicContact CG2-CD 4.22Å; I861-K865 HydrophobicContact CG2-CG 4.49Å; I861-K865 WeakPolarHBondContact O-CG 3.07Å; I861-K865 PolarHBondContact O-N 2.87Å; N862-K865 PolarHBondContact O-N 2.98Å; K865-E867 VanDerWaalsContact C-N 3.28Å; K865-E867 PolarHBondContact O-N 3.29Å; K865-V868 PolarHBondContact O-N 2.86Å; K865-D869 PolarHBondContact O-N 3.42Å
866N90.7Very high86.1Confident114 Ų114100.1 Ų100.161%0.6150%0.499SS*.Hα-helixtrans-61-40177.8-68.8-19.2000111.7N862 S863 M864 R870N862-N866 VanDerWaalsContact O-CG 3.28Å; N862-N866 PolarHBondContact O-N 3.18Å; N862-N866 VanDerWaalsContact O-N 3.13Å; N862-N866 PolarHBondContact O-ND2 2.82Å; S863-N866 PolarHBondContact O-N 2.87Å; M864-N866 VanDerWaalsContact C-N 3.35Å; M864-N866 PolarHBondContact O-N 2.91Å; N866-R870 PolarHBondContact O-N 2.84Å; N866-R870 VanDerWaalsContact O-N 3.09Å
867E87.1Confident86.3Confident59 Ų59104.3 Ų104.328%0.27651%0.51SS..Hα-helixtrans-66.8-45.2177.4-173.356.5-149.800112.1S863 M864 K865 D869 R870 L871S863-E867 PolarHBondContact O-N 2.89Å; S863-E867 VanDerWaalsContact O-N 3.15Å; M864-E867 PolarHBondContact O-N 2.9Å; K865-E867 VanDerWaalsContact C-N 3.28Å; K865-E867 PolarHBondContact O-N 3.29Å; E867-D869 VanDerWaalsContact C-N 3.33Å; E867-D869 PolarHBondContact O-N 2.85Å; E867-R870 VanDerWaalsContact CD-CZ 3.46Å; E867-R870 WeakPolarHBondContact O-CB 3.46Å; E867-R870 PolarHBondContact O-N 3.24Å; E867-R870 IonicContact OE1-CZ 2.86Å; E867-R870 IonicContact OE1-NE 3.59Å; E867-R870 PolarHBondContact OE1-NE 2.87Å; E867-R870 IonicContact OE1-NH2 2.63Å; E867-R870 PolarHBondContact OE1-NH2 2.85Å; E867-R870 IonicContact OE2-CZ 2.69Å; E867-R870 IonicContact OE2-NE 3.6Å; E867-R870 PolarHBondContact OE2-NE 2.66Å; E867-R870 IonicContact OE2-NH1 3.43Å; E867-R870 PolarHBondContact OE2-NH1 3.24Å; E867-R870 IonicContact OE2-NH2 3.6Å; E867-R870 PolarHBondContact OE2-NH2 2.9Å; E867-L871 HydrophobicContact CG-CD1 4.14Å; E867-L871 WeakPolarHBondContact O-CG 3.41Å; E867-L871 PolarHBondContact O-N 2.78Å
868V85.3Confident86.5Confident56 Ų56106.8 Ų106.834%0.33952%0.518SS..Hα-helixtrans-60.1-42.9176.5169.20000111.4M864 K865 R870 L871 R872M864-V868 WeakPolarHBondContact O-CG2 3.45Å; M864-V868 PolarHBondContact O-N 3.44Å; K865-V868 PolarHBondContact O-N 2.86Å; V868-R870 VanDerWaalsContact C-N 3.33Å; V868-R870 PolarHBondContact O-N 3.32Å; V868-L871 PolarHBondContact O-N 3.08Å; V868-R872 HydrophobicContact CG1-CG 4.39Å; V868-R872 WeakPolarHBondContact O-CB 2.94Å; V868-R872 WeakPolarHBondContact O-CG 3.49Å; V868-R872 PolarHBondContact O-N 3.12Å
869D90.6Very high86.3Confident80 Ų80112.9 Ų112.943%0.42853%0.532SS..Hα-helixtrans-66.5-36178.6-76.4-18.6000112.2K865 E867 K873K865-D869 PolarHBondContact O-N 3.42Å; E867-D869 VanDerWaalsContact C-N 3.33Å; E867-D869 PolarHBondContact O-N 2.85Å; D869-K873 WeakPolarHBondContact O-CG 3.28Å; D869-K873 PolarHBondContact O-N 2.6Å
870R90.5Very high86.2Confident148 Ų148111.8 Ų111.856%0.55852%0.524SS*.Hα-helixtrans-62.6-53173-172.4-17975.8-173.610.2111N866 E867 V868 R872 K873 E874N866-R870 PolarHBondContact O-N 2.84Å; N866-R870 VanDerWaalsContact O-N 3.09Å; E867-R870 VanDerWaalsContact CD-CZ 3.46Å; E867-R870 WeakPolarHBondContact O-CB 3.46Å; E867-R870 PolarHBondContact O-N 3.24Å; E867-R870 IonicContact OE1-CZ 2.86Å; E867-R870 IonicContact OE1-NE 3.59Å; E867-R870 PolarHBondContact OE1-NE 2.87Å; E867-R870 IonicContact OE1-NH2 2.63Å; E867-R870 PolarHBondContact OE1-NH2 2.85Å; E867-R870 IonicContact OE2-CZ 2.69Å; E867-R870 IonicContact OE2-NE 3.6Å; E867-R870 PolarHBondContact OE2-NE 2.66Å; E867-R870 IonicContact OE2-NH1 3.43Å; E867-R870 PolarHBondContact OE2-NH1 3.24Å; E867-R870 IonicContact OE2-NH2 3.6Å; E867-R870 PolarHBondContact OE2-NH2 2.9Å; V868-R870 VanDerWaalsContact C-N 3.33Å; V868-R870 PolarHBondContact O-N 3.32Å; R870-R872 VanDerWaalsContact C-N 3.33Å; R870-R872 PolarHBondContact O-N 2.64Å; R870-K873 PolarHBondContact O-N 3.48Å; R870-E874 PolarHBondContact O-N 2.95Å; R870-E874 VanDerWaalsContact O-N 3.12Å
871L83.6Confident86.3Confident79 Ų79105.8 Ų105.841%0.41451%0.506SS..Hα-helixtrans-64.2-35.5-178.4-69.5172.1000112.6E867 V868 E874 T875E867-L871 HydrophobicContact CG-CD1 4.14Å; E867-L871 WeakPolarHBondContact O-CG 3.41Å; E867-L871 PolarHBondContact O-N 2.78Å; V868-L871 PolarHBondContact O-N 3.08Å; L871-E874 PolarHBondContact O-N 3.5Å; L871-T875 WeakPolarHBondContact O-CB 3.11Å; L871-T875 PolarHBondContact O-N 3.14Å; L871-T875 PolarHBondContact O-OG1 2.99Å
872R86.8Confident86.1Confident171 Ų171105.3 Ų105.365%0.64551%0.507SS*.Hα-helixtrans-62.4-45.1174.6-82.2178.5176.1-180-1112.3V868 R870 T875 M876V868-R872 HydrophobicContact CG1-CG 4.39Å; V868-R872 WeakPolarHBondContact O-CB 2.94Å; V868-R872 WeakPolarHBondContact O-CG 3.49Å; V868-R872 PolarHBondContact O-N 3.12Å; R870-R872 VanDerWaalsContact C-N 3.33Å; R870-R872 PolarHBondContact O-N 2.64Å; R872-T875 PolarHBondContact O-N 3.01Å; R872-M876 WeakPolarHBondContact O-CB 3.41Å; R872-M876 PolarHBondContact O-N 2.92Å
873K90.4Very high85.7Confident159 Ų159109.4 Ų109.469%0.69152%0.517SS*.Hα-helixtrans-62.3-44.9178.1-72.9172.5-176.1174.90111.1D869 R870 M876 H877D869-K873 WeakPolarHBondContact O-CG 3.28Å; D869-K873 PolarHBondContact O-N 2.6Å; R870-K873 PolarHBondContact O-N 3.48Å; K873-M876 PolarHBondContact O-N 3.04Å; K873-H877 WeakPolarHBondContact O-CB 3.34Å; K873-H877 PolarHBondContact O-N 3.22Å
874E87.5Confident85.3Confident106 Ų106110.9 Ų110.950%0.49551%0.513SS..Hα-helixtrans-64.9-43.5178-170.7174.7-179.900112.1R870 L871 M876 H877 N878R870-E874 PolarHBondContact O-N 2.95Å; R870-E874 VanDerWaalsContact O-N 3.12Å; L871-E874 PolarHBondContact O-N 3.5Å; E874-M876 VanDerWaalsContact C-N 3.33Å; E874-M876 PolarHBondContact O-N 3.43Å; E874-H877 WeakPolarHBondContact O-CB 3.3Å; E874-H877 PolarHBondContact O-N 3.06Å; E874-N878 WeakPolarHBondContact O-CB 3.4Å; E874-N878 VanDerWaalsContact O-CG 3.28Å; E874-N878 PolarHBondContact O-N 2.8Å; E874-N878 PolarHBondContact O-ND2 2.78Å
875T83.2Confident85.1Confident66 Ų66108.5 Ų108.541%0.40550%0.502SS..Hα-helixtrans-61.2-42.2176.8-57.50000111.7L871 R872 N878 R879L871-T875 WeakPolarHBondContact O-CB 3.11Å; L871-T875 PolarHBondContact O-N 3.14Å; L871-T875 PolarHBondContact O-OG1 2.99Å; R872-T875 PolarHBondContact O-N 3.01Å; T875-N878 PolarHBondContact O-N 3.3Å; T875-R879 WeakPolarHBondContact O-CG 3.27Å; T875-R879 PolarHBondContact O-N 2.82Å
876M87.8Confident84.6Confident148 Ų148108.8 Ų108.873%0.72951%0.51SS*.Hα-helixtrans-65.1-42.5177.1-171.7175.1-179.200111.5R872 K873 E874 R879 E880R872-M876 WeakPolarHBondContact O-CB 3.41Å; R872-M876 PolarHBondContact O-N 2.92Å; K873-M876 PolarHBondContact O-N 3.04Å; E874-M876 VanDerWaalsContact C-N 3.33Å; E874-M876 PolarHBondContact O-N 3.43Å; M876-R879 PolarHBondContact O-N 2.87Å; M876-E880 PolarHBondContact O-N 2.88Å
877H87.5Confident84Confident121 Ų121109.6 Ų109.656%0.5651%0.514SS*.Hα-helixtrans-60-47.5175.1-176.666.6000111.8K873 E874 R879 E880 I881K873-H877 WeakPolarHBondContact O-CB 3.34Å; K873-H877 PolarHBondContact O-N 3.22Å; E874-H877 WeakPolarHBondContact O-CB 3.3Å; E874-H877 PolarHBondContact O-N 3.06Å; H877-R879 PolarHBondContact O-N 2.87Å; H877-E880 WeakPolarHBondContact O-CB 3.39Å; H877-E880 PolarHBondContact O-N 2.9Å; H877-I881 PolarHBondContact O-N 3.45Å; H877-I881 VanDerWaalsContact O-N 3.14Å
878N81.9Confident83.5Confident75 Ų75113.2 Ų113.240%0.40153%0.531SS..Hα-helixtrans-64.7-38.4-179.7-70.4-15.6000112.3E874 T875 E880 I881 V882E874-N878 WeakPolarHBondContact O-CB 3.4Å; E874-N878 VanDerWaalsContact O-CG 3.28Å; E874-N878 PolarHBondContact O-N 2.8Å; E874-N878 PolarHBondContact O-ND2 2.78Å; T875-N878 PolarHBondContact O-N 3.3Å; N878-E880 VanDerWaalsContact C-N 3.3Å; N878-E880 PolarHBondContact O-N 2.87Å; N878-I881 PolarHBondContact O-N 2.8Å; N878-V882 WeakPolarHBondContact O-CG2 3.28Å; N878-V882 PolarHBondContact O-N 2.97Å
879R83.1Confident83.1Confident185 Ų185117.4 Ų117.470%0.69856%0.556SS**Hα-helixtrans-61.1-38.5174.2-78.5179.2-179.9175.61112.7T875 M876 H877 V882 R883T875-R879 WeakPolarHBondContact O-CG 3.27Å; T875-R879 PolarHBondContact O-N 2.82Å; M876-R879 PolarHBondContact O-N 2.87Å; H877-R879 PolarHBondContact O-N 2.87Å; R879-V882 PolarHBondContact O-N 3.14Å; R879-R883 WeakPolarHBondContact O-CB 3.06Å; R879-R883 PolarHBondContact O-N 2.82Å
880E83.8Confident82.3Confident84 Ų84116.8 Ų116.839%0.39355%0.55SS..Hα-helixtrans-67.6-38.7178.2-164.564.1-163.200111.4M876 H877 N878 R883 K884M876-E880 PolarHBondContact O-N 2.88Å; H877-E880 WeakPolarHBondContact O-CB 3.39Å; H877-E880 PolarHBondContact O-N 2.9Å; N878-E880 VanDerWaalsContact C-N 3.3Å; N878-E880 PolarHBondContact O-N 2.87Å; E880-R883 PolarHBondContact O-N 3.26Å; E880-R883 IonicContact OE2-NH1 2.57Å; E880-K884 WeakPolarHBondContact O-CG 3.39Å; E880-K884 PolarHBondContact O-N 3.3Å
881I82Confident81.8Confident71 Ų71115.7 Ų115.736%0.36455%0.554SS.*Hα-helixtrans-61-48.4173.1-65.4169.4000110.6H877 N878 R883 K884 L885H877-I881 PolarHBondContact O-N 3.45Å; H877-I881 VanDerWaalsContact O-N 3.14Å; N878-I881 PolarHBondContact O-N 2.8Å; I881-R883 VanDerWaalsContact C-N 3.34Å; I881-R883 PolarHBondContact O-N 3.15Å; I881-K884 PolarHBondContact O-N 2.89Å; I881-L885 HydrophobicContact CG2-CD1 3.97Å; I881-L885 WeakPolarHBondContact O-CG 3.28Å; I881-L885 PolarHBondContact O-N 3.28Å
882V79.4Confident81.7Confident84 Ų84115.6 Ų115.651%0.50955%0.55SS.*Hα-helixtrans-60.6-43.3178.9172.50000111.2N878 R879 K884 L885 N886N878-V882 WeakPolarHBondContact O-CG2 3.28Å; N878-V882 PolarHBondContact O-N 2.97Å; R879-V882 PolarHBondContact O-N 3.14Å; V882-K884 VanDerWaalsContact C-N 3.34Å; V882-K884 PolarHBondContact O-N 2.95Å; V882-L885 PolarHBondContact O-N 2.92Å; V882-N886 PolarHBondContact O-N 2.99Å
883R81.3Confident81.4Confident160 Ų160114.7 Ų114.760%0.60455%0.553SS**Hα-helixtrans-61-41.5177.5-177.1-175.3-93.8157.8-11.5112R879 E880 I881 N887R879-R883 WeakPolarHBondContact O-CB 3.06Å; R879-R883 PolarHBondContact O-N 2.82Å; E880-R883 PolarHBondContact O-N 3.26Å; E880-R883 IonicContact OE2-NH1 2.57Å; I881-R883 VanDerWaalsContact C-N 3.34Å; I881-R883 PolarHBondContact O-N 3.15Å; R883-N887 PolarHBondContact O-N 2.81Å
884K79.5Confident81Confident115 Ų115110 Ų11050%0.553%0.534SS..Hα-helixtrans-64.4-42.2177-73.9177.7-178.6-179.80112.1E880 I881 V882 N886 Q888E880-K884 WeakPolarHBondContact O-CG 3.39Å; E880-K884 PolarHBondContact O-N 3.3Å; I881-K884 PolarHBondContact O-N 2.89Å; V882-K884 VanDerWaalsContact C-N 3.34Å; V882-K884 PolarHBondContact O-N 2.95Å; K884-N886 VanDerWaalsContact C-N 3.34Å; K884-N886 PolarHBondContact O-N 3.23Å; K884-Q888 PolarHBondContact O-N 3.33Å
885L77.4Confident80.9Confident73 Ų73112.6 Ų112.638%0.38255%0.546SS..Hα-helixtrans-66.4-31.4-179.5-71.1170.7000113.5I881 V882 K890I881-L885 HydrophobicContact CG2-CD1 3.97Å; I881-L885 WeakPolarHBondContact O-CG 3.28Å; I881-L885 PolarHBondContact O-N 3.28Å; V882-L885 PolarHBondContact O-N 2.92Å; L885-K890 HydrophobicContact CD2-CD 4.46Å
886N77.4Confident81.2Confident131 Ų131116 Ų11670%0.70156%0.555SS**Hα-helixtrans-79.9-32.8-179.2-89.3-1.8000114.5V882 K884V882-N886 PolarHBondContact O-N 2.99Å; K884-N886 VanDerWaalsContact C-N 3.34Å; K884-N886 PolarHBondContact O-N 3.23Å
887N78.9Confident81.3Confident131 Ų131109 Ų10970%0.70152%0.521SS*.Hα-helixtrans-109.8-16.6-164.6-67.80.5000114.4R883R883-N887 PolarHBondContact O-N 2.81Å
888Q75.7Confident81.3Confident134 Ų134107 Ų10763%0.62651%0.511SS*.SBendtrans-106.8133-173.9-65.6-175.2-26.500111.1K884 K890K884-Q888 PolarHBondContact O-N 3.33Å; Q888-K890 PolarHBondContact O-N 3.41Å
889V77.3Confident81.4Confident144 Ų144106.2 Ų106.287%0.87351%0.507SS*.PPolyproline II helixtrans-60.7121.7170.4177.60000108.3
890K73.9Confident81.5Confident67 Ų6799.7 Ų99.729%0.29149%0.489SS..PPolyproline II helixtrans-98.5122.3-178.9-169.3154.5-177.7169.70110.4L885 Q888 F892 L912 D914L885-K890 HydrophobicContact CD2-CD 4.46Å; Q888-K890 PolarHBondContact O-N 3.41Å; K890-F892 HydrophobicContact CG-CE1 4.4Å; K890-L912 HydrophobicContact CB-CD2 4.26Å; K890-L912 HydrophobicContact CD-CD2 4.16Å; K890-L912 WeakPolarHBondContact CE-O 3.42Å; K890-L912 PolarHBondContact NZ-O 3.29Å; K890-D914 VanDerWaalsContact CE-CG 3.47Å; K890-D914 WeakPolarHBondContact CE-OD1 3.5Å; K890-D914 WeakPolarHBondContact CE-OD2 3.34Å; K890-D914 VanDerWaalsContact NZ-CG 3.29Å; K890-D914 IonicContact NZ-OD1 2.7Å; K890-D914 PolarHBondContact NZ-OD1 3.16Å; K890-D914 IonicContact NZ-OD2 3.9Å; K890-D914 PolarHBondContact NZ-OD2 3.14Å
891I79.4Confident81.6Confident126 Ų126101.6 Ų101.665%0.64650%0.498SS*.PPolyproline II helixtrans-94.4116.5178.1-58167.9000108.1Q893I891-Q893 HydrophobicContact CG2-CG 4.02Å; I891-Q893 PolarHBondContact O-N 2.81Å
892F80.8Confident81.9Confident77 Ų77104.4 Ų104.434%0.33851%0.509SS..  trans-81.8111.6174.9-57.6-72.5000109.7K890 H910 F911 L912K890-F892 HydrophobicContact CG-CE1 4.4Å; F892-H910 HydrophobicContact CB-CB 4.39Å; F892-H910 HydrophobicContact CD1-CB 3.97Å; F892-H910 HydrophobicContact CD2-CB 4.02Å; F892-H910 HydrophobicContact CE1-CB 4.25Å; F892-H910 HydrophobicContact CE2-CB 4.28Å; F892-H910 HydrophobicContact CG-CB 3.84Å; F892-H910 HydrophobicContact CZ-CB 4.38Å; F892-F911 VanDerWaalsContact CE1-O 3.23Å; F892-F911 WeakPolarHBondContact CE1-O 3.37Å; F892-L912 HydrophobicContact CZ-CD2 4.05Å
893Q81.1Confident82.2Confident152 Ų152104 Ų10471%0.7151%0.51SS*.  trans-103.22.4-178.6-64.9-175.3-9.400113I891 Q895I891-Q893 HydrophobicContact CG2-CG 4.02Å; I891-Q893 PolarHBondContact O-N 2.81Å; Q893-Q895 PolarHBondContact O-N 3.48Å
894Q82.1Confident82.3Confident60 Ų6097.8 Ų97.828%0.2849%0.489SS..  trans-71.2122.2-175.3-64.578.216.300110.4L904 D914 S916Q894-L904 VanDerWaalsContact O-CD1 3.25Å; Q894-L904 WeakPolarHBondContact O-CD1 3.46Å; Q894-D914 VanDerWaalsContact CG-O 3.24Å; Q894-D914 WeakPolarHBondContact CG-O 3.38Å; Q894-D914 PolarHBondContact NE2-O 3.46Å; Q894-D914 PolarHBondContact NE2-OD1 3.47Å; Q894-S916 WeakPolarHBondContact CB-OG 3.17Å
895Q85.9Confident82.6Confident160 Ų16097.3 Ų97.375%0.74849%0.492SS*.  trans-98.4-7.4-180-64.2-177.9-7.200113.3Q893 S903 L904Q893-Q895 PolarHBondContact O-N 3.48Å; Q895-S903 CarbonylContact O-C 3.52Å; Q895-S903 WeakPolarHBondContact O-CA 3.5Å; Q895-L904 PolarHBondContact O-N 2.73Å
896K89.5Confident82.8Confident138 Ų13899.4 Ų99.460%0.651%0.51SS*.BIsolated β-bridgetrans-126.1143.8-175.4-63.4179.9-179.7-177.10110.6Q902K896-Q902 CarbonylContact C-O 3.57Å; K896-Q902 VanDerWaalsContact CA-O 3.26Å; K896-Q902 WeakPolarHBondContact CA-O 3.08Å
897C90.1Very high83Confident1 Ų197.9 Ų97.91%0.00751%0.507CS..  trans-70134.7173.5170.40000110L899 C900 H901 Q902 L904 S916 H918C897-L899 VanDerWaalsContact C-N 3.27Å; C897-L899 PolarHBondContact O-N 2.91Å; C897-L899 PolarHBondContact SG-N 3.48Å; C897-L899 VanDerWaalsContact SG-N 3.42Å; C897-C900 VanDerWaalsContact CB-SG 3.58Å; C897-H901 WeakPolarHBondContact O-CA 3.38Å; C897-H901 PolarHBondContact O-N 2.89Å; C897-Q902 PolarHBondContact N-O 2.86Å; C897-L904 HydrophobicContact CB-CD2 3.74Å; C897-L904 HydrophobicContact CB-CG 4.39Å; C897-S916 CarbonylContact C-O 3.6Å; C897-S916 WeakPolarHBondContact CA-O 3.41Å; C897-H918 WeakPolarHBondContact CB-CE1 3.4Å; C897-H918 WeakPolarHBondContact CB-ND1 3.47Å; C897-H918 PolarHBondContact SG-N 3.31Å
898Q87.2Confident83.3Confident79 Ų7993.7 Ų93.737%0.36949%0.488SS..THydrogen-bonded Turntrans-66.5-27.7-179-173.66631.700112.8H901 S916 Y917Q898-H901 PolarHBondContact O-CE1 2.96Å; Q898-S916 PolarHBondContact N-O 3.29Å; Q898-Y917 HydrophobicContact CB-CD1 4.03Å; Q898-Y917 HydrophobicContact CB-CE1 3.59Å; Q898-Y917 HydrophobicContact CG-CE1 4.16Å
899L84.9Confident83.7Confident59 Ų5988.9 Ų88.931%0.30947%0.466SS..THydrogen-bonded Turntrans-82.2-59.1178.7-74.2164.3000113.2C897 Y917 C921 Y925C897-L899 VanDerWaalsContact C-N 3.27Å; C897-L899 PolarHBondContact O-N 2.91Å; C897-L899 PolarHBondContact SG-N 3.48Å; C897-L899 VanDerWaalsContact SG-N 3.42Å; L899-Y917 HydrophobicContact CB-CD1 4.27Å; L899-Y917 HydrophobicContact CD1-CD1 3.54Å; L899-Y917 HydrophobicContact CD1-CE1 3.88Å; L899-Y917 HydrophobicContact CG-CD1 3.61Å; L899-Y917 HydrophobicContact CG-CE1 3.65Å; L899-C921 HydrophobicContact CB-CB 4.28Å; L899-C921 HydrophobicContact CD1-CB 4.03Å; L899-C921 WeakPolarHBondContact CD1-O 3.49Å; L899-Y925 HydrophobicContact CD1-CD2 3.98Å; L899-Y925 HydrophobicContact CD1-CG 4.01Å; L899-Y925 HydrophobicContact CD2-CG 4.35Å
900C85Confident84.2Confident47 Ų4785.3 Ų85.332%0.31844%0.44SS..THydrogen-bonded Turntrans-92.6-7.8-175.271.60000114.5C897 Q902 H918C897-C900 VanDerWaalsContact CB-SG 3.58Å; C900-Q902 PolarHBondContact O-N 2.85Å; C900-H918 PolarHBondContact SG-CE1 2.79Å; C900-H918 PolarHBondContact SG-ND1 3.46Å
901H85.6Confident84.7Confident124 Ų12483.4 Ų83.457%0.57443%0.432SS*.  trans58.38.2-177.1-57.4-54.4000116.5C897 Q898C897-H901 WeakPolarHBondContact O-CA 3.38Å; C897-H901 PolarHBondContact O-N 2.89Å; Q898-H901 PolarHBondContact O-CE1 2.96Å
902Q87Confident84.7Confident131 Ų13182.3 Ų82.361%0.61243%0.426SS*.SBendtrans-80.2159.8172.8-62.6177.4-4.200110.9K896 C897 C900 L904K896-Q902 CarbonylContact C-O 3.57Å; K896-Q902 VanDerWaalsContact CA-O 3.26Å; K896-Q902 WeakPolarHBondContact CA-O 3.08Å; C897-Q902 PolarHBondContact N-O 2.86Å; C900-Q902 PolarHBondContact O-N 2.85Å; Q902-L904 PolarHBondContact O-N 3.16Å
903S87.2Confident84.8Confident76 Ų7681 Ų8153%0.53143%0.426SS..BIsolated β-bridgetrans-55.6136.9174.845.20000110.9Q895 D905 H918Q895-S903 CarbonylContact O-C 3.52Å; Q895-S903 WeakPolarHBondContact O-CA 3.5Å; S903-D905 PolarHBondContact O-N 3Å; S903-H918 PolarHBondContact O-CE1 2.79Å; S903-H918 PolarHBondContact O-NE2 2.94Å
904L83.5Confident84.8Confident29 Ų2976.8 Ų76.815%0.15241%0.409CS..  trans-72.4111-179-76.5161.1000110.5Q894 Q895 C897 Q902 Y917 H918Q894-L904 VanDerWaalsContact O-CD1 3.25Å; Q894-L904 WeakPolarHBondContact O-CD1 3.46Å; Q895-L904 PolarHBondContact O-N 2.73Å; C897-L904 HydrophobicContact CB-CD2 3.74Å; C897-L904 HydrophobicContact CB-CG 4.39Å; Q902-L904 PolarHBondContact O-N 3.16Å; L904-Y917 VanDerWaalsContact CD2-C 3.5Å; L904-H918 WeakPolarHBondContact CA-NE2 3.34Å
905D84Confident85Confident104 Ų10475.8 Ų75.856%0.55640%0.404SS*.PPolyproline II helixtrans-94.6139.3170.2-63.7-32.6000109.6S903 P907 H918S903-D905 PolarHBondContact O-N 3Å; D905-P907 CarbonylContact O-C 3.55Å; D905-H918 PolarHBondContact N-CD2 3.15Å; D905-H918 PolarHBondContact N-NE2 3.25Å
906P83.1Confident85.2Confident118 Ų11868.2 Ų68.277%0.76637%0.369SS*.SBendtrans-68140.517725.5-31.3000111.1
907P80.4Confident85.1Confident99 Ų9961.7 Ų61.764%0.64334%0.341SS*.SBendcis-81.71342.530.2-32.5000114.4D905 R919D905-P907 CarbonylContact O-C 3.55Å; P907-R919 HydrophobicContact CB-CB 4.46Å; P907-R919 HydrophobicContact CG-CB 4.03Å; P907-R919 HydrophobicContact CG-CG 4.48Å; P907-R919 VanDerWaalsContact O-CB 3.28Å; P907-R919 WeakPolarHBondContact O-CB 3.38Å; P907-R919 PolarHBondContact O-N 3.04Å; P907-R919 VanDerWaalsContact O-N 3.08Å
908S85Confident85.1Confident43 Ų4362.7 Ų62.730%0.30135%0.345SS..EExtended strand (participates in β ladder)trans-114.5152.3175.356.20000112.3H910 Y917S908-H910 PolarHBondContact OG-NE2 3.39Å; S908-Y917 WeakPolarHBondContact CA-O 3.29Å
909I85.6Confident85Confident32 Ų3264.4 Ų64.416%0.16435%0.348CS..EExtended strand (participates in β ladder)trans-114.7131177.2-63.7172.4000109.2F911 S916 Y917 R919 F922I909-F911 HydrophobicContact CG2-CD2 4.35Å; I909-F911 HydrophobicContact CG2-CE2 3.81Å; I909-F911 HydrophobicContact CG2-CZ 4.26Å; I909-S916 CarbonylContact O-C 2.86Å; I909-S916 WeakPolarHBondContact O-CA 3.45Å; I909-Y917 PolarHBondContact N-O 2.89Å; I909-Y917 PolarHBondContact O-N 2.9Å; I909-R919 VanDerWaalsContact CD1-CD 3.46Å; I909-F922 HydrophobicContact CD1-CB 3.85Å; I909-F922 HydrophobicContact CD1-CD1 3.28Å; I909-F922 HydrophobicContact CD1-CE1 3.94Å; I909-F922 HydrophobicContact CD1-CG 3.63Å
910H86.2Confident85.1Confident69 Ų6967.6 Ų67.632%0.31936%0.364SS..EExtended strand (participates in β ladder)trans-120.2132.2-178.9-58-88.5000110.6F892 S908 S916F892-H910 HydrophobicContact CB-CB 4.39Å; F892-H910 HydrophobicContact CD1-CB 3.97Å; F892-H910 HydrophobicContact CD2-CB 4.02Å; F892-H910 HydrophobicContact CE1-CB 4.25Å; F892-H910 HydrophobicContact CE2-CB 4.28Å; F892-H910 HydrophobicContact CG-CB 3.84Å; F892-H910 HydrophobicContact CZ-CB 4.38Å; S908-H910 PolarHBondContact OG-NE2 3.39Å; H910-S916 VanDerWaalsContact ND1-CB 3.35Å; H910-S916 WeakPolarHBondContact ND1-CB 3.4Å; H910-S916 PolarHBondContact ND1-OG 2.88Å
911F85.3Confident85.1Confident28 Ų2866.5 Ų66.512%0.12336%0.357CS..  trans-105147.4175.6-73.2-88000111.5F892 I909 C913 D914 H915 Y917 F922 Q931 C932F892-F911 VanDerWaalsContact CE1-O 3.23Å; F892-F911 WeakPolarHBondContact CE1-O 3.37Å; I909-F911 HydrophobicContact CG2-CD2 4.35Å; I909-F911 HydrophobicContact CG2-CE2 3.81Å; I909-F911 HydrophobicContact CG2-CZ 4.26Å; F911-C913 VanDerWaalsContact CB-SG 3.55Å; F911-C913 PolarHBondContact O-N 2.85Å; F911-D914 PolarHBondContact O-N 3.48Å; F911-H915 PolarHBondContact N-O 2.78Å; F911-Y917 AromaticContact CD2-CD2 3.92Å; F911-Y917 HydrophobicContact CD2-CD2 3.92Å; F911-Y917 AromaticContact CD2-CE2 3.74Å; F911-Y917 HydrophobicContact CD2-CE2 3.74Å; F911-Y917 AromaticContact CE2-CD2 3.92Å; F911-Y917 HydrophobicContact CE2-CD2 3.92Å; F911-Y917 AromaticContact CE2-CE2 3.95Å; F911-Y917 HydrophobicContact CE2-CE2 3.95Å; F911-F922 AromaticContact CE2-CD2 3.88Å; F911-F922 HydrophobicContact CE2-CD2 3.88Å; F911-F922 AromaticContact CE2-CE2 3.61Å; F911-F922 HydrophobicContact CE2-CE2 3.61Å; F911-F922 HydrophobicContact CE2-CZ 4.46Å; F911-F922 HydrophobicContact CZ-CD2 4.12Å; F911-F922 AromaticContact CZ-CE2 3.36Å; F911-F922 HydrophobicContact CZ-CE2 3.36Å; F911-F922 AromaticContact CZ-CZ 3.89Å; F911-F922 HydrophobicContact CZ-CZ 3.89Å; F911-Q931 VanDerWaalsContact CE1-C 3.48Å; F911-C932 HydrophobicContact CB-CB 4.16Å; F911-C932 HydrophobicContact CD1-CB 3.76Å; F911-C932 HydrophobicContact CD2-CB 3.99Å; F911-C932 HydrophobicContact CE1-CB 4.14Å; F911-C932 VanDerWaalsContact CE1-N 3.29Å; F911-C932 HydrophobicContact CE2-CB 4.34Å; F911-C932 HydrophobicContact CG-CB 3.68Å; F911-C932 HydrophobicContact CZ-CB 4.42Å
912L79.5Confident85.1Confident102 Ų10260.8 Ų60.853%0.53433%0.33SS..THydrogen-bonded Turntrans-59.2-12.7175.7-72.7170.6000114.4K890 F892 D914K890-L912 HydrophobicContact CB-CD2 4.26Å; K890-L912 HydrophobicContact CD-CD2 4.16Å; K890-L912 WeakPolarHBondContact CE-O 3.42Å; K890-L912 PolarHBondContact NZ-O 3.29Å; F892-L912 HydrophobicContact CZ-CD2 4.05Å; L912-D914 PolarHBondContact O-N 2.81Å
913C81.8Confident84.9Confident50 Ų5058.2 Ų58.234%0.33832%0.321SS..THydrogen-bonded Turntrans-84.715.9169.861.40000114F911 H915F911-C913 VanDerWaalsContact CB-SG 3.55Å; F911-C913 PolarHBondContact O-N 2.85Å; C913-H915 PolarHBondContact O-N 2.79Å; C913-H915 PolarHBondContact O-ND1 2.76Å; C913-H915 PolarHBondContact SG-ND1 2.9Å
914D81.6Confident84.7Confident63 Ų6360.4 Ų60.434%0.33733%0.326SS..SBendtrans70.7-0.9179.5-66.5-51.6000115.8K890 Q894 F911 L912K890-D914 VanDerWaalsContact CE-CG 3.47Å; K890-D914 WeakPolarHBondContact CE-OD1 3.5Å; K890-D914 WeakPolarHBondContact CE-OD2 3.34Å; K890-D914 VanDerWaalsContact NZ-CG 3.29Å; K890-D914 IonicContact NZ-OD1 2.7Å; K890-D914 PolarHBondContact NZ-OD1 3.16Å; K890-D914 IonicContact NZ-OD2 3.9Å; K890-D914 PolarHBondContact NZ-OD2 3.14Å; Q894-D914 VanDerWaalsContact CG-O 3.24Å; Q894-D914 WeakPolarHBondContact CG-O 3.38Å; Q894-D914 PolarHBondContact NE2-O 3.46Å; Q894-D914 PolarHBondContact NE2-OD1 3.47Å; F911-D914 PolarHBondContact O-N 3.48Å; L912-D914 PolarHBondContact O-N 2.81Å
915H87.2Confident84.4Confident39 Ų3966.3 Ų66.318%0.18135%0.348CS..  trans-79.7128.7174.2-61.5112.4000111.2F911 C913 Y917 C932F911-H915 PolarHBondContact N-O 2.78Å; C913-H915 PolarHBondContact O-N 2.79Å; C913-H915 PolarHBondContact O-ND1 2.76Å; C913-H915 PolarHBondContact SG-ND1 2.9Å; H915-Y917 HydrophobicContact CB-CE2 3.61Å; H915-Y917 WeakPolarHBondContact CB-OH 3.41Å; H915-C932 VanDerWaalsContact CB-SG 3.59Å
916S89.2Confident83.8Confident2 Ų262.7 Ų62.71%0.01433%0.332CS..EExtended strand (participates in β ladder)trans-124.5140.5-179.7-56.90000110Q894 C897 Q898 I909 H910Q894-S916 WeakPolarHBondContact CB-OG 3.17Å; C897-S916 CarbonylContact C-O 3.6Å; C897-S916 WeakPolarHBondContact CA-O 3.41Å; Q898-S916 PolarHBondContact N-O 3.29Å; I909-S916 CarbonylContact O-C 2.86Å; I909-S916 WeakPolarHBondContact O-CA 3.45Å; H910-S916 VanDerWaalsContact ND1-CB 3.35Å; H910-S916 WeakPolarHBondContact ND1-CB 3.4Å; H910-S916 PolarHBondContact ND1-OG 2.88Å
917Y87.9Confident83.1Confident1 Ų165 Ų650%0.00433%0.327CS..EExtended strand (participates in β ladder)trans-137149.3-174.3-53.8-89.2000110.4Q898 L899 L904 S908 I909 F911 H915 C932 P933 Q934Q898-Y917 HydrophobicContact CB-CD1 4.03Å; Q898-Y917 HydrophobicContact CB-CE1 3.59Å; Q898-Y917 HydrophobicContact CG-CE1 4.16Å; L899-Y917 HydrophobicContact CB-CD1 4.27Å; L899-Y917 HydrophobicContact CD1-CD1 3.54Å; L899-Y917 HydrophobicContact CD1-CE1 3.88Å; L899-Y917 HydrophobicContact CG-CD1 3.61Å; L899-Y917 HydrophobicContact CG-CE1 3.65Å; L904-Y917 VanDerWaalsContact CD2-C 3.5Å; S908-Y917 WeakPolarHBondContact CA-O 3.29Å; I909-Y917 PolarHBondContact N-O 2.89Å; I909-Y917 PolarHBondContact O-N 2.9Å; F911-Y917 AromaticContact CD2-CD2 3.92Å; F911-Y917 HydrophobicContact CD2-CD2 3.92Å; F911-Y917 AromaticContact CD2-CE2 3.74Å; F911-Y917 HydrophobicContact CD2-CE2 3.74Å; F911-Y917 AromaticContact CE2-CD2 3.92Å; F911-Y917 HydrophobicContact CE2-CD2 3.92Å; F911-Y917 AromaticContact CE2-CE2 3.95Å; F911-Y917 HydrophobicContact CE2-CE2 3.95Å; H915-Y917 HydrophobicContact CB-CE2 3.61Å; H915-Y917 WeakPolarHBondContact CB-OH 3.41Å; Y917-C932 PolarHBondContact OH-SG 3.39Å; Y917-P933 HydrophobicContact CE1-CG 4.33Å; Y917-P933 HydrophobicContact CE2-CG 4.41Å; Y917-Q934 WeakPolarHBondContact OH-CB 3.44Å
918H90.2Very high82.6Confident22 Ų2261.6 Ų61.610%0.10231%0.309CS..EExtended strand (participates in β ladder)trans-62.5149.1162.1-60.5103.7000109.2C897 C900 S903 L904 D905 I920 C921 F922C897-H918 WeakPolarHBondContact CB-CE1 3.4Å; C897-H918 WeakPolarHBondContact CB-ND1 3.47Å; C897-H918 PolarHBondContact SG-N 3.31Å; C900-H918 PolarHBondContact SG-CE1 2.79Å; C900-H918 PolarHBondContact SG-ND1 3.46Å; S903-H918 PolarHBondContact O-CE1 2.79Å; S903-H918 PolarHBondContact O-NE2 2.94Å; L904-H918 WeakPolarHBondContact CA-NE2 3.34Å; D905-H918 PolarHBondContact N-CD2 3.15Å; D905-H918 PolarHBondContact N-NE2 3.25Å; H918-I920 VanDerWaalsContact C-N 3.25Å; H918-I920 PolarHBondContact O-N 2.86Å; H918-C921 HydrophobicContact CB-CB 4.04Å; H918-C921 PolarHBondContact O-N 2.85Å; H918-C921 VanDerWaalsContact O-N 3.09Å; H918-F922 PolarHBondContact O-N 3.42Å
919R85.5Confident82Confident115 Ų11566.4 Ų66.443%0.43433%0.332SS..Hα-helixtrans-52.7-46176.5-179.463.8-166.7-163.115.1112.1P907 I909 F922 D923P907-R919 HydrophobicContact CB-CB 4.46Å; P907-R919 HydrophobicContact CG-CB 4.03Å; P907-R919 HydrophobicContact CG-CG 4.48Å; P907-R919 VanDerWaalsContact O-CB 3.28Å; P907-R919 WeakPolarHBondContact O-CB 3.38Å; P907-R919 PolarHBondContact O-N 3.04Å; P907-R919 VanDerWaalsContact O-N 3.08Å; I909-R919 VanDerWaalsContact CD1-CD 3.46Å; R919-F922 PolarHBondContact O-N 3.39Å; R919-D923 WeakPolarHBondContact CG-OD2 3.39Å; R919-D923 IonicContact CZ-OD1 3.74Å; R919-D923 VanDerWaalsContact CZ-OD1 3.27Å; R919-D923 IonicContact CZ-OD2 3.28Å; R919-D923 IonicContact NE-OD1 3.86Å; R919-D923 PolarHBondContact NE-OD1 2.89Å; R919-D923 VanDerWaalsContact NE-OD1 3.08Å; R919-D923 IonicContact NE-OD2 2.74Å; R919-D923 PolarHBondContact NE-OD2 3.05Å; R919-D923 IonicContact NH2-OD1 3.7Å; R919-D923 PolarHBondContact NH2-OD1 2.89Å; R919-D923 IonicContact NH2-OD2 3.36Å; R919-D923 WeakPolarHBondContact O-CB 3.44Å; R919-D923 VanDerWaalsContact O-CG 3.26Å; R919-D923 PolarHBondContact O-N 2.85Å
920I85.9Confident81.5Confident125 Ų12573.4 Ų73.464%0.64136%0.364SS*.Hα-helixtrans-64.3-43.8178.8-57.9168.9000111.5H918 F922 D923 N924H918-I920 VanDerWaalsContact C-N 3.25Å; H918-I920 PolarHBondContact O-N 2.86Å; I920-F922 VanDerWaalsContact C-N 3.3Å; I920-F922 PolarHBondContact O-N 3.01Å; I920-D923 PolarHBondContact O-N 2.94Å; I920-N924 WeakPolarHBondContact O-CB 3.29Å; I920-N924 PolarHBondContact O-N 3.21Å; I920-N924 VanDerWaalsContact O-N 3.1Å; I920-N924 PolarHBondContact O-ND2 2.84Å
921C84.8Confident81.2Confident25 Ų2574.1 Ų74.117%0.16937%0.367CS..Hα-helixtrans-64.5-38.1178.4-71.70000111.4L899 H918 Y925L899-C921 HydrophobicContact CB-CB 4.28Å; L899-C921 HydrophobicContact CD1-CB 4.03Å; L899-C921 WeakPolarHBondContact CD1-O 3.49Å; H918-C921 HydrophobicContact CB-CB 4.04Å; H918-C921 PolarHBondContact O-N 2.85Å; H918-C921 VanDerWaalsContact O-N 3.09Å; C921-Y925 WeakPolarHBondContact O-CD2 3.35Å; C921-Y925 PolarHBondContact O-N 2.92Å
922F85.5Confident81.2Confident4 Ų473.2 Ų73.22%0.01836%0.364CS..Hα-helixtrans-66.4-53.2174.9177.5-101.2000111.3I909 F911 H918 R919 I920 N924 Y925 A926 P933I909-F922 HydrophobicContact CD1-CB 3.85Å; I909-F922 HydrophobicContact CD1-CD1 3.28Å; I909-F922 HydrophobicContact CD1-CE1 3.94Å; I909-F922 HydrophobicContact CD1-CG 3.63Å; F911-F922 AromaticContact CE2-CD2 3.88Å; F911-F922 HydrophobicContact CE2-CD2 3.88Å; F911-F922 AromaticContact CE2-CE2 3.61Å; F911-F922 HydrophobicContact CE2-CE2 3.61Å; F911-F922 HydrophobicContact CE2-CZ 4.46Å; F911-F922 HydrophobicContact CZ-CD2 4.12Å; F911-F922 AromaticContact CZ-CE2 3.36Å; F911-F922 HydrophobicContact CZ-CE2 3.36Å; F911-F922 AromaticContact CZ-CZ 3.89Å; F911-F922 HydrophobicContact CZ-CZ 3.89Å; H918-F922 PolarHBondContact O-N 3.42Å; R919-F922 PolarHBondContact O-N 3.39Å; I920-F922 VanDerWaalsContact C-N 3.3Å; I920-F922 PolarHBondContact O-N 3.01Å; F922-N924 PolarHBondContact O-N 3.15Å; F922-Y925 PolarHBondContact O-N 3.22Å; F922-A926 HydrophobicContact CD1-CB 4.14Å; F922-A926 HydrophobicContact CD2-CB 3.86Å; F922-A926 HydrophobicContact CE1-CB 3.83Å; F922-A926 HydrophobicContact CE2-CB 3.48Å; F922-A926 VanDerWaalsContact CE2-CB 3.48Å; F922-A926 HydrophobicContact CG-CB 4.17Å; F922-A926 HydrophobicContact CZ-CB 3.49Å; F922-A926 VanDerWaalsContact CZ-CB 3.49Å; F922-A926 WeakPolarHBondContact O-CA 3.34Å; F922-A926 WeakPolarHBondContact O-CB 3.37Å; F922-A926 PolarHBondContact O-N 3.4Å; F922-P933 HydrophobicContact CD2-CG 4.02Å; F922-P933 HydrophobicContact CE2-CG 4.18Å
923D83.2Confident81.3Confident77 Ų7769 Ų6941%0.41234%0.343SS..Hα-helixtrans-59.2-33.9-175.9-69.2-24.6000111.9R919 I920R919-D923 WeakPolarHBondContact CG-OD2 3.39Å; R919-D923 IonicContact CZ-OD1 3.74Å; R919-D923 VanDerWaalsContact CZ-OD1 3.27Å; R919-D923 IonicContact CZ-OD2 3.28Å; R919-D923 IonicContact NE-OD1 3.86Å; R919-D923 PolarHBondContact NE-OD1 2.89Å; R919-D923 VanDerWaalsContact NE-OD1 3.08Å; R919-D923 IonicContact NE-OD2 2.74Å; R919-D923 PolarHBondContact NE-OD2 3.05Å; R919-D923 IonicContact NH2-OD1 3.7Å; R919-D923 PolarHBondContact NH2-OD1 2.89Å; R919-D923 IonicContact NH2-OD2 3.36Å; R919-D923 WeakPolarHBondContact O-CB 3.44Å; R919-D923 VanDerWaalsContact O-CG 3.26Å; R919-D923 PolarHBondContact O-N 2.85Å; I920-D923 PolarHBondContact O-N 2.94Å
924N83.6Confident81.4Confident121 Ų12172.1 Ų72.165%0.64735%0.353SS*.Hα-helixtrans-76.5-24.7178.1-71.8-13.9000114.6I920 F922I920-N924 WeakPolarHBondContact O-CB 3.29Å; I920-N924 PolarHBondContact O-N 3.21Å; I920-N924 VanDerWaalsContact O-N 3.1Å; I920-N924 PolarHBondContact O-ND2 2.84Å; F922-N924 PolarHBondContact O-N 3.15Å
925Y76Confident81.5Confident153 Ų15370.2 Ų70.260%0.634%0.344SS*.Hα-helixtrans-122.2-4-171.5-76.2-85.8000114.3L899 C921 F922L899-Y925 HydrophobicContact CD1-CD2 3.98Å; L899-Y925 HydrophobicContact CD1-CG 4.01Å; L899-Y925 HydrophobicContact CD2-CG 4.35Å; C921-Y925 WeakPolarHBondContact O-CD2 3.35Å; C921-Y925 PolarHBondContact O-N 2.92Å; F922-Y925 PolarHBondContact O-N 3.22Å
926A71.9Confident81.4Confident28 Ų2868.6 Ų68.623%0.23134%0.338CS..  trans-74.9128.1178.600000110.9F922 G928F922-A926 HydrophobicContact CD1-CB 4.14Å; F922-A926 HydrophobicContact CD2-CB 3.86Å; F922-A926 HydrophobicContact CE1-CB 3.83Å; F922-A926 HydrophobicContact CE2-CB 3.48Å; F922-A926 VanDerWaalsContact CE2-CB 3.48Å; F922-A926 HydrophobicContact CG-CB 4.17Å; F922-A926 HydrophobicContact CZ-CB 3.49Å; F922-A926 VanDerWaalsContact CZ-CB 3.49Å; F922-A926 WeakPolarHBondContact O-CA 3.34Å; F922-A926 WeakPolarHBondContact O-CB 3.37Å; F922-A926 PolarHBondContact O-N 3.4Å; A926-G928 PolarHBondContact O-N 3.49Å
927Y68.2Low81Confident168 Ų16871.5 Ų71.566%0.65936%0.356SS*.SBendtrans-74.6-2.4170.3-61.9-81.6000113
928G71Confident80.7Confident26 Ų2678 Ų7827%0.26839%0.387SS..SBendtrans170.9152.9179.300000112.1A926 Q930 Q931A926-G928 PolarHBondContact O-N 3.49Å; G928-Q930 PolarHBondContact O-N 3.15Å; G928-Q931 PolarHBondContact O-N 2.98Å
929D71.3Confident80.3Confident145 Ų14581 Ų8178%0.77540%0.404SS*.THydrogen-bonded Turntrans-61.8-16.4-164.1-60.8-15000116
930Q76.7Confident80Confident178 Ų17880.6 Ų80.683%0.83241%0.405SS*.THydrogen-bonded Turntrans-123.58.8-174-61.8-174.2-2.800114.1G928G928-Q930 PolarHBondContact O-N 3.15Å
931Q79.9Confident79.7Confident84 Ų8482 Ų8239%0.39341%0.406SS..SBendtrans-113.8132.3-175.5-61.4-174-0.200111.6F911 G928 P933 A936F911-Q931 VanDerWaalsContact CE1-C 3.48Å; G928-Q931 PolarHBondContact O-N 2.98Å; Q931-P933 WeakPolarHBondContact O-CD 3.26Å; Q931-A936 HydrophobicContact CB-CB 3.93Å
932C84.3Confident79.3Confident9 Ų985.4 Ų85.46%0.06142%0.423CS..  trans-63.9121.6172.9173.90000109.5F911 H915 Y917 Q934 C935 A936F911-C932 HydrophobicContact CB-CB 4.16Å; F911-C932 HydrophobicContact CD1-CB 3.76Å; F911-C932 HydrophobicContact CD2-CB 3.99Å; F911-C932 HydrophobicContact CE1-CB 4.14Å; F911-C932 VanDerWaalsContact CE1-N 3.29Å; F911-C932 HydrophobicContact CE2-CB 4.34Å; F911-C932 HydrophobicContact CG-CB 3.68Å; F911-C932 HydrophobicContact CZ-CB 4.42Å; H915-C932 VanDerWaalsContact CB-SG 3.59Å; Y917-C932 PolarHBondContact OH-SG 3.39Å; C932-Q934 PolarHBondContact O-N 2.85Å; C932-Q934 VanDerWaalsContact O-N 3.15Å; C932-C935 HydrophobicContact CB-CB 4.12Å; C932-C935 PolarHBondContact O-N 3.18Å; C932-C935 VanDerWaalsContact O-N 3.1Å; C932-A936 VanDerWaalsContact O-CB 3.25Å; C932-A936 WeakPolarHBondContact O-CB 3.3Å; C932-A936 PolarHBondContact O-N 2.94Å
933P82.5Confident78.9Confident13 Ų1389.9 Ų89.98%0.08445%0.446CS..THydrogen-bonded Turntrans-54.6-36.5-177.5-26.433.1000113.6Y917 F922 Q931 P937Y917-P933 HydrophobicContact CE1-CG 4.33Å; Y917-P933 HydrophobicContact CE2-CG 4.41Å; F922-P933 HydrophobicContact CD2-CG 4.02Å; F922-P933 HydrophobicContact CE2-CG 4.18Å; Q931-P933 WeakPolarHBondContact O-CD 3.26Å; P933-P937 VanDerWaalsContact O-CD 3.31Å; P933-P937 WeakPolarHBondContact O-CD 3.43Å
934Q82.8Confident78.5Confident116 Ų11688.4 Ų88.454%0.54245%0.445SS..THydrogen-bonded Turntrans-73.6-39.1179.3-170.865.76.500113.3Y917 C932Y917-Q934 WeakPolarHBondContact OH-CB 3.44Å; C932-Q934 PolarHBondContact O-N 2.85Å; C932-Q934 VanDerWaalsContact O-N 3.15Å
935C85Confident78.1Confident23 Ų2388.3 Ų88.316%0.15544%0.44CS..THydrogen-bonded Turntrans-90.4-25.7-174.9-58.70000113.3C932 P937 Q938 N939C932-C935 HydrophobicContact CB-CB 4.12Å; C932-C935 PolarHBondContact O-N 3.18Å; C932-C935 VanDerWaalsContact O-N 3.1Å; C935-P937 VanDerWaalsContact C-CD 3.48Å; C935-Q938 PolarHBondContact O-N 3.14Å; C935-N939 PolarHBondContact O-N 2.8Å
936A83.4Confident77.6Confident6 Ų685 Ų855%0.0543%0.432CS..Hα-helixtrans-56.2-42.9-174.400000114.2Q931 C932 Q938 N939 K940Q931-A936 HydrophobicContact CB-CB 3.93Å; C932-A936 VanDerWaalsContact O-CB 3.25Å; C932-A936 WeakPolarHBondContact O-CB 3.3Å; C932-A936 PolarHBondContact O-N 2.94Å; A936-Q938 PolarHBondContact O-N 3.32Å; A936-N939 PolarHBondContact O-N 2.84Å; A936-K940 WeakPolarHBondContact O-CB 3.45Å; A936-K940 WeakPolarHBondContact O-CG 3.28Å; A936-K940 PolarHBondContact O-N 2.86Å
937P81.4Confident77.4Confident63 Ų6388.6 Ų88.641%0.40945%0.447SS..Hα-helixtrans-64.9-40.1-179.8-20.833.1000112.8P933 C935 K941P933-P937 VanDerWaalsContact O-CD 3.31Å; P933-P937 WeakPolarHBondContact O-CD 3.43Å; C935-P937 VanDerWaalsContact C-CD 3.48Å; P937-K941 PolarHBondContact O-N 3.22Å
938Q81.3Confident77.1Confident137 Ų13786.8 Ų86.864%0.6445%0.449SS*.Hα-helixtrans-69-45.1177.7-74.1177.2-14.700111.3C935 A936 K940 K941 L942C935-Q938 PolarHBondContact O-N 3.14Å; A936-Q938 PolarHBondContact O-N 3.32Å; Q938-K940 VanDerWaalsContact C-N 3.32Å; Q938-K940 PolarHBondContact O-N 2.56Å; Q938-K941 PolarHBondContact O-N 3.08Å; Q938-L942 PolarHBondContact O-N 3.29Å
939N82.5Confident76.5Confident85 Ų8589.7 Ų89.746%0.45546%0.462SS..Hα-helixtrans-64.2-36.7177.5-70.3-6.2000111.9C935 A936 L942 L943C935-N939 PolarHBondContact O-N 2.8Å; A936-N939 PolarHBondContact O-N 2.84Å; N939-L942 PolarHBondContact O-N 3.02Å; N939-L943 VanDerWaalsContact O-CB 3.27Å; N939-L943 WeakPolarHBondContact O-CB 3.33Å; N939-L943 WeakPolarHBondContact O-CD1 3.15Å; N939-L943 VanDerWaalsContact O-CG 3.27Å; N939-L943 WeakPolarHBondContact O-CG 3.23Å; N939-L943 PolarHBondContact O-N 3.1Å
940K79.4Confident75.4Confident107 Ų10786.5 Ų86.547%0.46544%0.444SS..Hα-helixtrans-63.8-40.6174.4-80.7-177.6-179.8-179.80112.1A936 Q938 L943 A944A936-K940 WeakPolarHBondContact O-CB 3.45Å; A936-K940 WeakPolarHBondContact O-CG 3.28Å; A936-K940 PolarHBondContact O-N 2.86Å; Q938-K940 VanDerWaalsContact C-N 3.32Å; Q938-K940 PolarHBondContact O-N 2.56Å; K940-L943 PolarHBondContact O-N 2.76Å; K940-A944 WeakPolarHBondContact O-CB 3.42Å; K940-A944 PolarHBondContact O-N 2.9Å
941K79.4Confident74.1Confident154 Ų15481.6 Ų81.667%0.6743%0.428SS*.Hα-helixtrans-62-48.5174.1-75.7-175.3177.9-175.20111.6P937 Q938 L943 A944 E945P937-K941 PolarHBondContact O-N 3.22Å; Q938-K941 PolarHBondContact O-N 3.08Å; K941-L943 PolarHBondContact O-N 3.06Å; K941-A944 PolarHBondContact O-N 3.43Å; K941-E945 WeakPolarHBondContact O-CG 3.33Å; K941-E945 PolarHBondContact O-N 3.17Å
942L77.2Confident72.5Confident97 Ų9782.8 Ų82.851%0.50844%0.436SS..Hα-helixtrans-61.9-41.6177-74.6164000112.4Q938 N939 E945 I946Q938-L942 PolarHBondContact O-N 3.29Å; N939-L942 PolarHBondContact O-N 3.02Å; L942-E945 PolarHBondContact O-N 3.44Å; L942-I946 WeakPolarHBondContact O-CB 3.24Å; L942-I946 VanDerWaalsContact O-CG1 3.24Å; L942-I946 WeakPolarHBondContact O-CG1 3.34Å; L942-I946 PolarHBondContact O-N 3.09Å
943L75.5Confident70.3Confident98 Ų9887.4 Ų87.451%0.51346%0.46SS..Hα-helixtrans-66.6-36176.1-78.5162.3000112.2N939 K940 K941 I946 N947N939-L943 VanDerWaalsContact O-CB 3.27Å; N939-L943 WeakPolarHBondContact O-CB 3.33Å; N939-L943 WeakPolarHBondContact O-CD1 3.15Å; N939-L943 VanDerWaalsContact O-CG 3.27Å; N939-L943 WeakPolarHBondContact O-CG 3.23Å; N939-L943 PolarHBondContact O-N 3.1Å; K940-L943 PolarHBondContact O-N 2.76Å; K941-L943 PolarHBondContact O-N 3.06Å; L943-I946 PolarHBondContact O-N 2.74Å; L943-N947 WeakPolarHBondContact O-CB 3.38Å; L943-N947 VanDerWaalsContact O-CG 3.27Å; L943-N947 PolarHBondContact O-N 3.5Å; L943-N947 PolarHBondContact O-ND2 3.15Å
944A76.1Confident68.1Low46 Ų4694.6 Ų94.638%0.3849%0.49SS..Hα-helixtrans-66.9-42.5173.600000111.3K940 K941 I946 N947 N948K940-A944 WeakPolarHBondContact O-CB 3.42Å; K940-A944 PolarHBondContact O-N 2.9Å; K941-A944 PolarHBondContact O-N 3.43Å; A944-I946 VanDerWaalsContact C-N 3.34Å; A944-I946 PolarHBondContact O-N 2.97Å; A944-N947 PolarHBondContact O-N 3.07Å; A944-N948 WeakPolarHBondContact O-CB 3.42Å; A944-N948 PolarHBondContact O-N 3.19Å; A944-N948 PolarHBondContact O-OD1 2.85Å
945E73.8Confident66.3Low119 Ų11992.5 Ų92.556%0.55649%0.488SS*.Hα-helixtrans-61-41.9173.6-73.7171-17000111.7K941 L942 N948 T949K941-E945 WeakPolarHBondContact O-CG 3.33Å; K941-E945 PolarHBondContact O-N 3.17Å; L942-E945 PolarHBondContact O-N 3.44Å; E945-N948 PolarHBondContact O-N 2.8Å; E945-T949 WeakPolarHBondContact O-CB 3.27Å; E945-T949 PolarHBondContact O-N 2.83Å; E945-T949 PolarHBondContact O-OG1 3.06Å
946I66.9Low64.1Low83 Ų8396.4 Ų96.443%0.42651%0.507SS..Hα-helixtrans-64-45.1174.1-70.6165.2000111L942 L943 A944 N948 T949 L950L942-I946 WeakPolarHBondContact O-CB 3.24Å; L942-I946 VanDerWaalsContact O-CG1 3.24Å; L942-I946 WeakPolarHBondContact O-CG1 3.34Å; L942-I946 PolarHBondContact O-N 3.09Å; L943-I946 PolarHBondContact O-N 2.74Å; A944-I946 VanDerWaalsContact C-N 3.34Å; A944-I946 PolarHBondContact O-N 2.97Å; I946-N948 VanDerWaalsContact C-N 3.28Å; I946-N948 PolarHBondContact O-N 3.07Å; I946-T949 WeakPolarHBondContact CA-OG1 3.4Å; I946-T949 CarbonylContact O-C 3.59Å; I946-T949 PolarHBondContact O-N 3.16Å; I946-T949 PolarHBondContact O-OG1 3.31Å; I946-L950 HydrophobicContact CG2-CD1 3.37Å; I946-L950 HydrophobicContact CG2-CG 4.01Å; I946-L950 VanDerWaalsContact O-CB 3.22Å; I946-L950 WeakPolarHBondContact O-CB 3.22Å; I946-L950 VanDerWaalsContact O-CG 3.27Å; I946-L950 WeakPolarHBondContact O-CG 3.4Å; I946-L950 PolarHBondContact O-N 2.84Å
947N67.6Low61.9Low104 Ų104100 Ų10056%0.55653%0.532SS*.Hα-helixtrans-66.2-31178.5-76.8-18.7000112.6L943 A944 P951L943-N947 WeakPolarHBondContact O-CB 3.38Å; L943-N947 VanDerWaalsContact O-CG 3.27Å; L943-N947 PolarHBondContact O-N 3.5Å; L943-N947 PolarHBondContact O-ND2 3.15Å; A944-N947 PolarHBondContact O-N 3.07Å; N947-P951 WeakPolarHBondContact O-CD 3.31Å
948N61.6Low59.7Low129 Ų129104.8 Ų104.869%0.6955%0.548SS*.Hα-helixtrans-78.7-23.2174.9-68.8-7.4000112.8A944 E945 I946 P951A944-N948 WeakPolarHBondContact O-CB 3.42Å; A944-N948 PolarHBondContact O-N 3.19Å; A944-N948 PolarHBondContact O-OD1 2.85Å; E945-N948 PolarHBondContact O-N 2.8Å; I946-N948 VanDerWaalsContact C-N 3.28Å; I946-N948 PolarHBondContact O-N 3.07Å; N948-P951 WeakPolarHBondContact O-CD 3.34Å; N948-P951 WeakPolarHBondContact O-CG 3.4Å
949T58.7Low57.7Low88 Ų88104.3 Ų104.354%0.5455%0.55SS.*Hα-helixtrans-93.9-20.7174.543.80000113.5E945 I946 P951 I952E945-T949 WeakPolarHBondContact O-CB 3.27Å; E945-T949 PolarHBondContact O-N 2.83Å; E945-T949 PolarHBondContact O-OG1 3.06Å; I946-T949 WeakPolarHBondContact CA-OG1 3.4Å; I946-T949 CarbonylContact O-C 3.59Å; I946-T949 PolarHBondContact O-N 3.16Å; I946-T949 PolarHBondContact O-OG1 3.31Å; T949-P951 WeakPolarHBondContact O-CD 3.44Å; T949-I952 WeakPolarHBondContact O-CB 3.45Å; T949-I952 WeakPolarHBondContact O-CG1 3.16Å; T949-I952 PolarHBondContact O-N 2.85Å
950L47.5Very low55.4Low78 Ų78105.1 Ų105.141%0.40856%0.558SS.*THydrogen-bonded Turntrans-69.1-13.7173.4-86.1164.7000117.3I946 I952 N953 K954I946-L950 HydrophobicContact CG2-CD1 3.37Å; I946-L950 HydrophobicContact CG2-CG 4.01Å; I946-L950 VanDerWaalsContact O-CB 3.22Å; I946-L950 WeakPolarHBondContact O-CB 3.22Å; I946-L950 VanDerWaalsContact O-CG 3.27Å; I946-L950 WeakPolarHBondContact O-CG 3.4Å; I946-L950 PolarHBondContact O-N 2.84Å; L950-I952 PolarHBondContact O-N 3.36Å; L950-I952 VanDerWaalsContact O-N 3.07Å; L950-N953 HydrophobicContact CD2-CB 4.5Å; L950-N953 PolarHBondContact O-N 3.34Å; L950-K954 PolarHBondContact O-N 3.39Å
951P49.3Very low53.4Low74 Ų74109.7 Ų109.748%0.48158%0.578SS.*Hα-helixtrans-58.2-24.1171.6-18.331.8000111.2N947 N948 T949 N953 K954 S955N947-P951 WeakPolarHBondContact O-CD 3.31Å; N948-P951 WeakPolarHBondContact O-CD 3.34Å; N948-P951 WeakPolarHBondContact O-CG 3.4Å; T949-P951 WeakPolarHBondContact O-CD 3.44Å; P951-N953 PolarHBondContact O-N 3.2Å; P951-K954 PolarHBondContact O-N 3.48Å; P951-S955 PolarHBondContact O-N 3.03Å; P951-S955 PolarHBondContact O-OG 3.45Å
952I47Very low51.2Low110 Ų110106.2 Ų106.256%0.56456%0.564SS**Hα-helixtrans-64.2-26.8177.4-55.3173.8000112.1T949 L950 L956T949-I952 WeakPolarHBondContact O-CB 3.45Å; T949-I952 WeakPolarHBondContact O-CG1 3.16Å; T949-I952 PolarHBondContact O-N 2.85Å; L950-I952 PolarHBondContact O-N 3.36Å; L950-I952 VanDerWaalsContact O-N 3.07Å; I952-L956 VanDerWaalsContact O-CD1 3.29Å; I952-L956 WeakPolarHBondContact O-CD1 3.45Å; I952-L956 WeakPolarHBondContact O-CG 3.34Å
953N37.9Very low49Very low105 Ų105104.3 Ų104.356%0.56156%0.559SS**Hα-helixtrans-97.4-23.9178.9-91-22.6000114.6L950 P951 S957L950-N953 HydrophobicContact CD2-CB 4.5Å; L950-N953 PolarHBondContact O-N 3.34Å; P951-N953 PolarHBondContact O-N 3.2Å; N953-S957 WeakPolarHBondContact O-CB 3.47Å; N953-S957 PolarHBondContact O-N 3.1Å; N953-S957 VanDerWaalsContact O-N 3.12Å; N953-S957 PolarHBondContact O-OG 3.35Å
954K36.5Very low47.3Very low164 Ų164104.6 Ų104.671%0.71357%0.567SS**Hα-helixtrans-76.2-36.8174.4-87.7-173.2174.3-176.70112.4L950 P951 L956 S957 E958L950-K954 PolarHBondContact O-N 3.39Å; P951-K954 PolarHBondContact O-N 3.48Å; K954-L956 PolarHBondContact O-N 3.3Å; K954-S957 PolarHBondContact O-N 2.76Å; K954-S957 PolarHBondContact O-OG 3.42Å; K954-E958 PolarHBondContact O-N 3.16Å
955S44.2Very low45.6Very low72 Ų72107.3 Ų107.350%0.50358%0.575SS.*Hα-helixtrans-67.3-26.2173.258.10000112.7P951P951-S955 PolarHBondContact O-N 3.03Å; P951-S955 PolarHBondContact O-OG 3.45Å
956L39Very low43.9Very low106 Ų106105.8 Ų105.856%0.55557%0.568SS**Hα-helixtrans-84.9-20.8174.1-70.9173.7000114.2I952 K954 V960I952-L956 VanDerWaalsContact O-CD1 3.29Å; I952-L956 WeakPolarHBondContact O-CD1 3.45Å; I952-L956 WeakPolarHBondContact O-CG 3.34Å; K954-L956 PolarHBondContact O-N 3.3Å; L956-V960 WeakPolarHBondContact O-CG2 3.45Å
957S36.3Very low42.6Very low82 Ų82106.4 Ų106.457%0.57357%0.571SS**Hα-helixtrans-91.1-25.3-178.664.40000115.1N953 K954N953-S957 WeakPolarHBondContact O-CB 3.47Å; N953-S957 PolarHBondContact O-N 3.1Å; N953-S957 VanDerWaalsContact O-N 3.12Å; N953-S957 PolarHBondContact O-OG 3.35Å; K954-S957 PolarHBondContact O-N 2.76Å; K954-S957 PolarHBondContact O-OG 3.42Å
958E36.9Very low41.3Very low162 Ų162105.2 Ų105.276%0.75756%0.564SS**Hα-helixtrans-87.7-19.4177.1-77.6-176.4163.100113.5K954K954-E958 PolarHBondContact O-N 3.16Å
959N39.5Very low40.5Very low127 Ų127103.4 Ų103.468%0.67955%0.554SS**SBendtrans-95.68177.8-71-11.5000114.9
960V33.8Very low39.5Very low102 Ų102104.1 Ų104.162%0.61855%0.551SS**THydrogen-bonded Turntrans-107.827.8176.4-172.30000112L956 E962L956-V960 WeakPolarHBondContact O-CG2 3.45Å; V960-E962 VanDerWaalsContact C-N 3.28Å
961K36.1Very low39.3Very low204 Ų204105.8 Ų105.889%0.88756%0.56SS**THydrogen-bonded Turntrans-85.9-0.1156.9-86.9-171.2179.6177.50113.4
962E33Very low39Very low81 Ų81108 Ų10838%0.37956%0.562SS.*SBendtrans-83.5114.6158.6-65.6-168.4162.900106.7V960 Q966V960-E962 VanDerWaalsContact C-N 3.28Å; E962-Q966 HydrophobicContact CB-CB 4.32Å
963S32.5Very low38.7Very low57 Ų57105.6 Ų105.640%0.39955%0.552SS.*  trans-51.3147.1175.255.40000108.8D965 Q966S963-D965 PolarHBondContact O-N 3.3Å; S963-Q966 PolarHBondContact O-N 2.98Å
964P40.2Very low38.8Very low104 Ų104103.6 Ų103.668%0.67555%0.55SS**Hα-helixtrans-51.8-25.3174.1-24.532.3000112.2Q966 L968P964-Q966 VanDerWaalsContact C-N 3.33Å; P964-Q966 PolarHBondContact O-N 3.21Å; P964-L968 WeakPolarHBondContact O-CB 3.32Å; P964-L968 PolarHBondContact O-N 3.14Å
965D39.8Very low38.9Very low103 Ų103100.5 Ų100.555%0.55154%0.541SS*.Hα-helixtrans-63.8-31.6171.9-68.7-36000113.3S963 L968 I969S963-D965 PolarHBondContact O-N 3.3Å; D965-L968 CarbonylContact O-C 3.54Å; D965-I969 WeakPolarHBondContact O-CA 3.45Å; D965-I969 WeakPolarHBondContact O-CB 3.35Å; D965-I969 WeakPolarHBondContact O-CD1 3.28Å; D965-I969 WeakPolarHBondContact O-CG1 3.48Å; D965-I969 PolarHBondContact O-N 3.32Å
966Q38.1Very low38.6Very low87 Ų87101.6 Ų101.641%0.40754%0.538SS..Hα-helixtrans-80.9-35.5-177.6-152.2172.98.400113.2E962 S963 P964 I969 Q970E962-Q966 HydrophobicContact CB-CB 4.32Å; S963-Q966 PolarHBondContact O-N 2.98Å; P964-Q966 VanDerWaalsContact C-N 3.33Å; P964-Q966 PolarHBondContact O-N 3.21Å; Q966-I969 CarbonylContact O-C 3.59Å; Q966-I969 PolarHBondContact O-N 3.26Å; Q966-Q970 WeakPolarHBondContact O-CB 3.46Å; Q966-Q970 WeakPolarHBondContact O-CG 3.41Å; Q966-Q970 PolarHBondContact O-N 2.89Å
967L38.7Very low38.5Very low95 Ų95101.8 Ų101.850%0.49754%0.539SS..Hα-helixtrans-74.3-34.5170.9-130155.7000110.7I969 Q970 L971L967-I969 VanDerWaalsContact C-N 3.35Å; L967-Q970 PolarHBondContact O-N 3Å; L967-L971 HydrophobicContact CD2-CD1 4.15Å; L967-L971 VanDerWaalsContact O-CB 3.27Å; L967-L971 WeakPolarHBondContact O-CB 3.4Å; L967-L971 PolarHBondContact O-N 2.74Å
968L41.2Very low38.6Very low79 Ų79100.9 Ų100.941%0.41454%0.536SS..Hα-helixtrans-68.4-33.3167.1-174.167.8000111.5P964 D965 K972P964-L968 WeakPolarHBondContact O-CB 3.32Å; P964-L968 PolarHBondContact O-N 3.14Å; D965-L968 CarbonylContact O-C 3.54Å; L968-K972 HydrophobicContact CG-CD 4.07Å; L968-K972 HydrophobicContact CG-CG 4.4Å; L968-K972 WeakPolarHBondContact O-CA 3.47Å; L968-K972 WeakPolarHBondContact O-CB 3.38Å; L968-K972 WeakPolarHBondContact O-CD 3.5Å; L968-K972 WeakPolarHBondContact O-CG 3.46Å; L968-K972 PolarHBondContact O-N 3.26Å
969I43.6Very low38.5Very low92 Ų9299.5 Ų99.547%0.47253%0.528SS..Hα-helixtrans-68.1-50.4172.2-77156.1000107.6D965 Q966 L967 L971 K972 T973D965-I969 WeakPolarHBondContact O-CA 3.45Å; D965-I969 WeakPolarHBondContact O-CB 3.35Å; D965-I969 WeakPolarHBondContact O-CD1 3.28Å; D965-I969 WeakPolarHBondContact O-CG1 3.48Å; D965-I969 PolarHBondContact O-N 3.32Å; Q966-I969 CarbonylContact O-C 3.59Å; Q966-I969 PolarHBondContact O-N 3.26Å; L967-I969 VanDerWaalsContact C-N 3.35Å; I969-L971 PolarHBondContact O-N 3.41Å; I969-K972 CarbonylContact O-C 3.47Å; I969-K972 VanDerWaalsContact O-C 3.25Å; I969-K972 WeakPolarHBondContact O-CA 3.44Å; I969-K972 WeakPolarHBondContact O-CB 3.18Å; I969-K972 PolarHBondContact O-N 2.79Å; I969-T973 VanDerWaalsContact C-OG1 3.24Å; I969-T973 WeakPolarHBondContact CG2-OG1 3.16Å; I969-T973 WeakPolarHBondContact O-CA 3.37Å; I969-T973 WeakPolarHBondContact O-CB 3.43Å; I969-T973 PolarHBondContact O-N 2.78Å; I969-T973 PolarHBondContact O-OG1 2.69Å
970Q39.5Very low38.1Very low103 Ų10399.8 Ų99.848%0.48153%0.525SS..Hα-helixtrans-63.1-40.1178.6-77179.61.600112.5Q966 L967 T973 A974Q966-Q970 WeakPolarHBondContact O-CB 3.46Å; Q966-Q970 WeakPolarHBondContact O-CG 3.41Å; Q966-Q970 PolarHBondContact O-N 2.89Å; L967-Q970 PolarHBondContact O-N 3Å; Q970-T973 CarbonylContact O-C 3.56Å; Q970-T973 PolarHBondContact O-N 2.93Å; Q970-A974 VanDerWaalsContact O-CB 3.25Å; Q970-A974 WeakPolarHBondContact O-CB 3.43Å; Q970-A974 PolarHBondContact O-N 3.44Å
971L42.2Very low38.2Very low112 Ų112100.3 Ų100.359%0.58652%0.523SS*.Hα-helixtrans-65.6-40.4169.3-83.5162.4000110.9L967 I969 T973 L975L967-L971 HydrophobicContact CD2-CD1 4.15Å; L967-L971 VanDerWaalsContact O-CB 3.27Å; L967-L971 WeakPolarHBondContact O-CB 3.4Å; L967-L971 PolarHBondContact O-N 2.74Å; I969-L971 PolarHBondContact O-N 3.41Å; L971-T973 VanDerWaalsContact C-N 3.27Å; L971-T973 PolarHBondContact O-N 2.98Å; L971-L975 WeakPolarHBondContact O-CB 3.31Å; L971-L975 PolarHBondContact O-N 3.2Å
972K42.8Very low37.7Very low121 Ų12194.3 Ų94.353%0.52650%0.501SS..Hα-helixtrans-66.4-26.5171.5-80.2170.3179.11730112.3L968 I969 L975 H976L968-K972 HydrophobicContact CG-CD 4.07Å; L968-K972 HydrophobicContact CG-CG 4.4Å; L968-K972 WeakPolarHBondContact O-CA 3.47Å; L968-K972 WeakPolarHBondContact O-CB 3.38Å; L968-K972 WeakPolarHBondContact O-CD 3.5Å; L968-K972 WeakPolarHBondContact O-CG 3.46Å; L968-K972 PolarHBondContact O-N 3.26Å; I969-K972 CarbonylContact O-C 3.47Å; I969-K972 VanDerWaalsContact O-C 3.25Å; I969-K972 WeakPolarHBondContact O-CA 3.44Å; I969-K972 WeakPolarHBondContact O-CB 3.18Å; I969-K972 PolarHBondContact O-N 2.79Å; K972-L975 CarbonylContact O-C 3.58Å; K972-H976 WeakPolarHBondContact O-CA 3.24Å; K972-H976 WeakPolarHBondContact O-CB 3.16Å; K972-H976 PolarHBondContact O-N 2.94Å
973T41.5Very low37.5Very low59 Ų5998 Ų9836%0.36252%0.523SS..Hα-helixtrans-89.1-36.5-176.3-32.50000109.2I969 Q970 L971 L975 H976 L977I969-T973 VanDerWaalsContact C-OG1 3.24Å; I969-T973 WeakPolarHBondContact CG2-OG1 3.16Å; I969-T973 WeakPolarHBondContact O-CA 3.37Å; I969-T973 WeakPolarHBondContact O-CB 3.43Å; I969-T973 PolarHBondContact O-N 2.78Å; I969-T973 PolarHBondContact O-OG1 2.69Å; Q970-T973 CarbonylContact O-C 3.56Å; Q970-T973 PolarHBondContact O-N 2.93Å; L971-T973 VanDerWaalsContact C-N 3.27Å; L971-T973 PolarHBondContact O-N 2.98Å; T973-L975 VanDerWaalsContact C-N 3.29Å; T973-H976 CarbonylContact O-C 3.57Å; T973-H976 PolarHBondContact O-N 3.46Å; T973-H976 VanDerWaalsContact O-N 3.12Å; T973-L977 HydrophobicContact CG2-CD1 4.23Å; T973-L977 WeakPolarHBondContact O-CB 3.43Å; T973-L977 WeakPolarHBondContact O-CD1 3.12Å; T973-L977 PolarHBondContact O-N 2.98Å
974A40Very low37.3Very low63 Ų63100.9 Ų100.952%0.52154%0.542SS..Hα-helixtrans-64.7-37.5164.500000110.3Q970 A978Q970-A974 VanDerWaalsContact O-CB 3.25Å; Q970-A974 WeakPolarHBondContact O-CB 3.43Å; Q970-A974 PolarHBondContact O-N 3.44Å; A974-A978 WeakPolarHBondContact O-CB 3.36Å; A974-A978 PolarHBondContact O-N 2.97Å
975L37.4Very low36.6Very low99 Ų99106.3 Ų106.352%0.51856%0.555SS.*Hα-helixtrans-72.3-26.6169.1-15887.7000112.1L971 K972 T973 K979L971-L975 WeakPolarHBondContact O-CB 3.31Å; L971-L975 PolarHBondContact O-N 3.2Å; K972-L975 CarbonylContact O-C 3.58Å; T973-L975 VanDerWaalsContact C-N 3.29Å; L975-K979 WeakPolarHBondContact O-CB 3.5Å; L975-K979 WeakPolarHBondContact O-CG 3.38Å; L975-K979 PolarHBondContact O-N 3.32Å
976H38.2Very low35.9Very low96 Ų96110 Ų11044%0.44457%0.57SS.*Hα-helixtrans-78.2-41.5177.3-163.9-81.4000110.5K972 T973 A978 K979 E980K972-H976 WeakPolarHBondContact O-CA 3.24Å; K972-H976 WeakPolarHBondContact O-CB 3.16Å; K972-H976 PolarHBondContact O-N 2.94Å; T973-H976 CarbonylContact O-C 3.57Å; T973-H976 PolarHBondContact O-N 3.46Å; T973-H976 VanDerWaalsContact O-N 3.12Å; H976-A978 VanDerWaalsContact C-N 3.3Å; H976-K979 CarbonylContact O-C 3.54Å; H976-K979 WeakPolarHBondContact O-CA 2.8Å; H976-K979 WeakPolarHBondContact O-CB 3.41Å; H976-K979 PolarHBondContact O-N 3.01Å; H976-E980 IonicContact CE1-OE1 2.73Å; H976-E980 PolarHBondContact CE1-OE1 2.82Å; H976-E980 IonicContact ND1-OE1 2.69Å; H976-E980 IonicContact ND1-OE2 2.99Å; H976-E980 PolarHBondContact O-N 3.3Å
977L37.5Very low35.3Very low109 Ų109113.9 Ų113.957%0.57159%0.592SS**Hα-helixtrans-66.3-34.2170.2-94.9117.2000110.9T973 K979T973-L977 HydrophobicContact CG2-CD1 4.23Å; T973-L977 WeakPolarHBondContact O-CB 3.43Å; T973-L977 WeakPolarHBondContact O-CD1 3.12Å; T973-L977 PolarHBondContact O-N 2.98Å; L977-K979 VanDerWaalsContact C-N 3.29Å
978A37.5Very low35.1Very low63 Ų63114 Ų11452%0.52160%0.599SS.*Hα-helixtrans-70-25.9168.200000112.8A974 H976A974-A978 WeakPolarHBondContact O-CB 3.36Å; A974-A978 PolarHBondContact O-N 2.97Å; H976-A978 VanDerWaalsContact C-N 3.3Å
979K35.3Very low34.3Very low134 Ų134119.9 Ų119.958%0.58362%0.624SS**Hα-helixtrans-81-31.5175.1-82.9172.5177.4-174.10113.5L975 H976 L977 I981L975-K979 WeakPolarHBondContact O-CB 3.5Å; L975-K979 WeakPolarHBondContact O-CG 3.38Å; L975-K979 PolarHBondContact O-N 3.32Å; H976-K979 CarbonylContact O-C 3.54Å; H976-K979 WeakPolarHBondContact O-CA 2.8Å; H976-K979 WeakPolarHBondContact O-CB 3.41Å; H976-K979 PolarHBondContact O-N 3.01Å; L977-K979 VanDerWaalsContact C-N 3.29Å; K979-I981 VanDerWaalsContact C-N 3.29Å; K979-I981 PolarHBondContact O-N 2.8Å
980E32.5Very low33.5Very low133 Ų133123 Ų12362%0.62164%0.641SS**Hα-helixtrans-75.5-15.2-176-83.6-177.4154.700114H976 N982H976-E980 IonicContact CE1-OE1 2.73Å; H976-E980 PolarHBondContact CE1-OE1 2.82Å; H976-E980 IonicContact ND1-OE1 2.69Å; H976-E980 IonicContact ND1-OE2 2.99Å; H976-E980 PolarHBondContact O-N 3.3Å; E980-N982 VanDerWaalsContact C-N 3.32Å; E980-N982 PolarHBondContact O-N 3.19Å
981I33.8Very low32.8Very low112 Ų112125.1 Ų125.157%0.57466%0.656SS**THydrogen-bonded Turntrans-84.20178.4-61.9174.9000112.7K979K979-I981 VanDerWaalsContact C-N 3.29Å; K979-I981 PolarHBondContact O-N 2.8Å
982N27.3Very low32.2Very low78 Ų78127.6 Ų127.642%0.41767%0.668SS.*SBendtrans-128.329.9-170.3-97.1-21.9000118E980 S1032 I1033E980-N982 VanDerWaalsContact C-N 3.32Å; E980-N982 PolarHBondContact O-N 3.19Å; N982-S1032 WeakPolarHBondContact OD1-CA 3.27Å; N982-S1032 PolarHBondContact OD1-N 3.38Å; N982-S1032 VanDerWaalsContact OD1-N 3.09Å; N982-I1033 PolarHBondContact OD1-N 3.29Å; N982-I1033 VanDerWaalsContact OD1-N 3.16Å
983L29.1Very low32.1Very low159 Ų159127 Ų12783%0.83268%0.677SS**  trans-144.436.8-175.4-113153.9000118.7
984S28.2Very low31.3Very low117 Ų117130.9 Ų130.982%0.81870%0.7SS**  trans-144.785.6166.3440000115.3
985K25.2Very low30.4Very low218 Ų218133.8 Ų133.895%0.94871%0.712SS**  -172.9130.2120.9-98.1167-174.3-178.80112.2
986E24.6Very low29.8Very low181 Ų181136 Ų13685%0.84673%0.73SS**  trans-77.7162.1-167.6-54.4176.1139.200115.3
987L25.1Very low29.1Very low169 Ų169139.4 Ų139.489%0.88575%0.75SS**  -177153.5117.5-92.3142.8000111.3
988P35.3Very low28.4Very low98 Ų98138.5 Ų138.564%0.63676%0.758SS**  trans-109.1151.3-149.739-32.2000115.4
989H24.9Very low27.9Very low201 Ų201142.2 Ų142.293%0.93178%0.775SS**  trans-148.8146.8155.1-86-57.5000113.8
990N25.2Very low27.4Very low158 Ų158142.6 Ų142.685%0.84578%0.783SS**  trans-78.3158.3-160.1-84.3-34.8000117
991N25Very low27.1Very low147 Ų147146.7 Ų146.779%0.78680%0.799SS**  trans-43.6151.7168-62.4-39.9000117.1
992I29.7Very low26.6Very low164 Ų164148.5 Ų148.584%0.84181%0.81SS**  -170.4141.9124-87.6146.9000109.6
993P41.4Very low26.6Very low109 Ų109150.1 Ų150.171%0.70883%0.828SS**  trans-103.9157.3-174.938.6-32000113.5
994T24.4Very low26.5Very low140 Ų140147.8 Ų147.886%0.85982%0.824SS**  trans-172.1133.81449.20000114.4
995T21.7Very low26.5Very low125 Ų125147.4 Ų147.477%0.76782%0.822SS**  trans-54.1146.7160.428.80000114.8
996T24.5Very low26.6Very low146 Ų146143.8 Ų143.890%0.89682%0.818SS**  -170158.2129.211.80000114.4
997L22.3Very low27Very low167 Ų167143.6 Ų143.687%0.87482%0.817SS**  trans-72.7161.9-160.9-73.8141.8000117.6
998A24.1Very low27.5Very low89 Ų89139.6 Ų139.674%0.73680%0.803SS**  trans-56.4155173.600000116.4
999T26.1Very low27.6Very low142 Ų142139.6 Ų139.687%0.87180%0.803SS**  trans-156.7136.8139.830.50000110.8
1000D24.2Very low28.2Very low141 Ų141137 Ų13775%0.75480%0.796SS**  trans-72.9147.2-178.5-62.6-58.3000114
1001F27.4Very low28.8Very low219 Ų219135.2 Ų135.296%0.96179%0.785SS**  trans-149.1117.3146.8-95.9-76.4000111.5
1002N23.9Very low29.7Very low151 Ų151131.3 Ų131.381%0.80777%0.769SS**  trans-82.1149.1174.2-82.2-50000112.4
1003S26Very low30.2Very low112 Ų112130 Ų13078%0.78376%0.758SS**  -174.7125.8127.739.70000115.2
1004S27.5Very low30.1Very low109 Ų109127.5 Ų127.576%0.76275%0.746SS**  trans52102.9154.161.80000119.6
1005S27.7Very low30.6Very low109 Ų109125.6 Ų125.676%0.76273%0.73SS**  cis78.778.436.391.40000117.2
1006T27.6Very low31.4Very low143 Ų143123 Ų12388%0.87772%0.717SS**  trans-141.458.814948.40000110.4
1007H32.2Very low32Very low176 Ų176121.1 Ų121.182%0.81570%0.701SS**  trans-107.2123.3171.3-80.4-73000110.6
1008S35.8Very low32.8Very low86 Ų86118.3 Ų118.360%0.60169%0.691SS**  trans-54.6118.5174.653.30000110.4L1010S1008-L1010 PolarHBondContact O-N 2.85Å
1009P38.6Very low33.3Very low97 Ų97119.2 Ų119.263%0.6368%0.683SS**Hα-helixtrans-712.2-166.825.8-34000115.1K1013P1009-K1013 WeakPolarHBondContact O-CB 3.04Å; P1009-K1013 PolarHBondContact O-N 2.76Å
1010L37.6Very low33.7Very low148 Ų148115.7 Ų115.778%0.77567%0.668SS**Hα-helixtrans-78.7-40.3-179.9-82.4162.2000113S1008 A1014S1008-L1010 PolarHBondContact O-N 2.85Å; L1010-A1014 WeakPolarHBondContact O-CB 3.44Å; L1010-A1014 PolarHBondContact O-N 2.88Å
1011L36.8Very low34Very low120 Ų120117.9 Ų117.963%0.62867%0.674SS**Hα-helixtrans-73.5-42.8-177.8-162.879.7000111.6K1013 A1014 L1015L1011-K1013 VanDerWaalsContact C-N 3.33Å; L1011-K1013 PolarHBondContact O-N 2.75Å; L1011-A1014 PolarHBondContact O-N 3.47Å; L1011-L1015 HydrophobicContact CG-CD1 4.34Å; L1011-L1015 PolarHBondContact O-N 2.86Å
1012S44.5Very low34.1Very low64 Ų64111.2 Ų111.245%0.44866%0.655SS.*Hα-helixtrans-65.8-37175.361.10000111.6L1015 S1016S1012-L1015 PolarHBondContact O-N 2.98Å; S1012-S1016 VanDerWaalsContact O-CB 3.24Å; S1012-S1016 WeakPolarHBondContact O-CB 3.37Å; S1012-S1016 PolarHBondContact O-N 3.37Å; S1012-S1016 PolarHBondContact O-OG 3.16Å; S1012-S1016 VanDerWaalsContact O-OG 3.09Å
1013K39.4Very low34.2Very low138 Ų138108.5 Ų108.560%0.665%0.648SS**Hα-helixtrans-71.6-33.9177.7-166.8163.9-1731710112.9P1009 L1011 N1017P1009-K1013 WeakPolarHBondContact O-CB 3.04Å; P1009-K1013 PolarHBondContact O-N 2.76Å; L1011-K1013 VanDerWaalsContact C-N 3.33Å; L1011-K1013 PolarHBondContact O-N 2.75Å; K1013-N1017 WeakPolarHBondContact O-CB 3.33Å; K1013-N1017 PolarHBondContact O-N 3.11Å; K1013-N1017 VanDerWaalsContact O-N 3.09Å
1014A40Very low34.1Very low56 Ų56106.1 Ų106.146%0.46364%0.64SS.*Hα-helixtrans-66-45.3172.100000111.4L1010 L1011 V1018L1010-A1014 WeakPolarHBondContact O-CB 3.44Å; L1010-A1014 PolarHBondContact O-N 2.88Å; L1011-A1014 PolarHBondContact O-N 3.47Å; A1014-V1018 WeakPolarHBondContact O-CG2 3.47Å; A1014-V1018 PolarHBondContact O-N 2.92Å
1015L34.8Very low34Very low100 Ų100109.4 Ų109.452%0.52465%0.648SS.*Hα-helixtrans-69.5-42.1177.9-81.5159.7000112.8L1011 S1012 N1017 V1018 L1019L1011-L1015 HydrophobicContact CG-CD1 4.34Å; L1011-L1015 PolarHBondContact O-N 2.86Å; S1012-L1015 PolarHBondContact O-N 2.98Å; L1015-N1017 VanDerWaalsContact C-N 3.35Å; L1015-N1017 PolarHBondContact O-N 3.39Å; L1015-V1018 PolarHBondContact O-N 2.82Å; L1015-L1019 WeakPolarHBondContact O-CB 3.44Å; L1015-L1019 WeakPolarHBondContact O-CG 3.02Å; L1015-L1019 PolarHBondContact O-N 3.38Å
1016S39Very low33.8Very low71 Ų71111.2 Ų111.250%0.49765%0.649SS.*Hα-helixtrans-65.8-34.8177.1-700000112.6S1012 L1019 A1020S1012-S1016 VanDerWaalsContact O-CB 3.24Å; S1012-S1016 WeakPolarHBondContact O-CB 3.37Å; S1012-S1016 PolarHBondContact O-N 3.37Å; S1012-S1016 PolarHBondContact O-OG 3.16Å; S1012-S1016 VanDerWaalsContact O-OG 3.09Å; S1016-L1019 PolarHBondContact O-N 3.46Å; S1016-A1020 WeakPolarHBondContact O-CB 3.35Å; S1016-A1020 PolarHBondContact O-N 3.29Å
1017N36.9Very low33.6Very low105 Ų105111 Ų11156%0.56165%0.648SS**Hα-helixtrans-70.4-32.7176.5-80.8-6.8000112.7K1013 L1015K1013-N1017 WeakPolarHBondContact O-CB 3.33Å; K1013-N1017 PolarHBondContact O-N 3.11Å; K1013-N1017 VanDerWaalsContact O-N 3.09Å; L1015-N1017 VanDerWaalsContact C-N 3.35Å; L1015-N1017 PolarHBondContact O-N 3.39Å
1018V39.4Very low33.1Very low108 Ų108109.6 Ų109.666%0.65565%0.646SS**Hα-helixtrans-73.6-37.9174.6174.70000110.7A1014 L1015A1014-V1018 WeakPolarHBondContact O-CG2 3.47Å; A1014-V1018 PolarHBondContact O-N 2.92Å; L1015-V1018 PolarHBondContact O-N 2.82Å
1019L34.2Very low32.5Very low108 Ų108114 Ų11457%0.56566%0.657SS**Hα-helixtrans-80.8-32.3-178.1-69168.3000114L1015 S1016 Q1021 S1022L1015-L1019 WeakPolarHBondContact O-CB 3.44Å; L1015-L1019 WeakPolarHBondContact O-CG 3.02Å; L1015-L1019 PolarHBondContact O-N 3.38Å; S1016-L1019 PolarHBondContact O-N 3.46Å; L1019-Q1021 PolarHBondContact O-N 3.27Å; L1019-S1022 PolarHBondContact O-N 3.18Å; L1019-S1022 VanDerWaalsContact O-N 3.14Å; L1019-S1022 PolarHBondContact O-OG 3Å
1020A33.7Very low31.8Very low69 Ų69114.2 Ų114.257%0.5766%0.661SS**THydrogen-bonded Turntrans-69.6-17.5-178.900000113.9S1016 S1022S1016-A1020 WeakPolarHBondContact O-CB 3.35Å; S1016-A1020 PolarHBondContact O-N 3.29Å; A1020-S1022 VanDerWaalsContact C-N 3.33Å
1021Q31.1Very low31.1Very low186 Ų186115 Ų11587%0.86966%0.658SS**THydrogen-bonded Turntrans-86.6-3173.9-69.8-170.1-11.500113.6L1019L1019-Q1021 PolarHBondContact O-N 3.27Å
1022S29.9Very low30.5Very low80 Ų80113 Ų11356%0.55965%0.654SS**THydrogen-bonded Turntrans-115.6-2-178.647.50000115L1019 A1020 G1024L1019-S1022 PolarHBondContact O-N 3.18Å; L1019-S1022 VanDerWaalsContact O-N 3.14Å; L1019-S1022 PolarHBondContact O-OG 3Å; A1020-S1022 VanDerWaalsContact C-N 3.33Å; S1022-G1024 PolarHBondContact O-N 3.44Å
1023S25.1Very low29.6Very low94 Ų94116.2 Ų116.266%0.65767%0.665SS**  trans-86.274.1-176.754.20000112.5
1024G24.8Very low28.8Very low61 Ų61112 Ų11263%0.62966%0.661SS**SBendtrans-17757.6176.300000113.7S1022S1022-G1024 PolarHBondContact O-N 3.44Å
1025L25.6Very low27.9Very low178 Ų178115 Ų11593%0.93268%0.678SS**  trans171.577151.7-90.7154.4000108.2
1026L21.9Very low27.4Very low147 Ų147119.5 Ų119.577%0.7770%0.697SS**  trans-116.2111176.7-80.4161.7000109
1027T23.8Very low26.6Very low139 Ų139124 Ų12485%0.85372%0.715SS**  trans-151.2115.9142.451.20000109.7
1028N22.2Very low25.9Very low146 Ų146127.3 Ų127.378%0.78173%0.732SS**  trans-23.5150.9156.5-54.4-30.7000114.7
1029Q23.3Very low25.1Very low179 Ų179131.5 Ų131.584%0.83674%0.741SS**  cis-158.8146.947.5-75.8175.3-12.100113
1030S24Very low24.6Very low101 Ų101133.7 Ų133.771%0.70675%0.754SS**  trans-23149.6146.1590000117.2
1031K22.9Very low24.2Very low166 Ų166137.4 Ų137.472%0.72276%0.763SS**  cis-166.4150.645.6-80.4-176.3169.8175.20113
1032S24.3Very low23.9Very low76 Ų76135.9 Ų135.953%0.53176%0.76SS.*  trans35.9136.6139.276.40000122.3N982N982-S1032 WeakPolarHBondContact OD1-CA 3.27Å; N982-S1032 PolarHBondContact OD1-N 3.38Å; N982-S1032 VanDerWaalsContact OD1-N 3.09Å
1033I24.9Very low23.6Very low132 Ų132140.4 Ų140.468%0.67777%0.772SS**  -176.5139.167-80171.3000110.9N982N982-I1033 PolarHBondContact OD1-N 3.29Å; N982-I1033 VanDerWaalsContact OD1-N 3.16Å
1034G22.1Very low23.5Very low51 Ų51143 Ų14353%0.52678%0.779SS.*  77.8106.2122.100000124.2
1035S22.3Very low23.5Very low118 Ų118148 Ų14883%0.82579%0.791SS**  48.2109122.1-47.10000121.6
1036Q23.6Very low23.5Very low195 Ų195146.4 Ų146.491%0.91179%0.788SS**  trans-147.4143.5137.3-73.2-158.8-5.200113.2
1037N22.4Very low23.6Very low165 Ų165147 Ų14788%0.88279%0.791SS**PPolyproline II helixtrans-69.2134.8-166.9-65.5-47.5000115.2
1038L22.1Very low23.6Very low175 Ų175146.2 Ų146.292%0.91679%0.791SS**PPolyproline II helixtrans-95.6126.8164.3-86147.2000109.2
1039K23.3Very low23.7Very low196 Ų196145.1 Ų145.185%0.85279%0.79SS**PPolyproline II helixtrans-89.1144.3175.6-88.7-178.1173.6-179.70111.2
1040D23.8Very low23.7Very low153 Ų153144 Ų14482%0.81879%0.79SS**PPolyproline II helixtrans-53.1133.4-179.2-53.7-63.9000114.9
1041I24.3Very low23.7Very low148 Ų148147 Ų14776%0.75979%0.79SS**  trans-116.1110.8160.8-66.1175.4000106.3
1042N24.4Very low23.7Very low153 Ų153146.7 Ų146.782%0.81879%0.791SS**  trans-67.8123.8172.3-81.4-21.2000110.2
1043H24.6Very low23.8Very low176 Ų176149.1 Ų149.182%0.81581%0.808SS**  trans-110.4103.2167.4-99.1-79.5000107.6
1044D23.2Very low23.7Very low148 Ų148150 Ų15079%0.79181%0.812SS**  trans-136.3106.6164.4-83.9-38.3000107.3
1045D23.4Very low23.8Very low167 Ų167156.1 Ų156.189%0.89383%0.828SS**  trans174.279.6150.1-92.1-20.1000108.3
1046V26.9Very low23.9Very low144 Ų144155.5 Ų155.587%0.87382%0.823SS**  trans-107.3117.1168.3175.20000108.9
1047L23.2Very low23.8Very low159 Ų159154.2 Ų154.283%0.83282%0.822SS**  trans-49.9124.5176.1-72.8136.8000113.3
1048S24.3Very low23.8Very low122 Ų122156.2 Ų156.285%0.85382%0.822SS**  trans-86.5119163.447.90000110
1049V23.3Very low23.8Very low123 Ų123154 Ų15475%0.74582%0.816SS**  trans-105.7119.4171.5170.90000106.7
1050D24.9Very low23.7Very low157 Ų157150 Ų15084%0.8481%0.813SS**  trans-139.1104.8161.8-104.2-30.1000113.4
1051K24.3Very low23.6Very low163 Ų163148.9 Ų148.971%0.70981%0.812SS**  trans13.9127.1140.5-72170.7179.2167.10121.3
1052Q22.8Very low23.6Very low160 Ų160147.2 Ų147.275%0.74881%0.813SS**  74.8104.8127-67.9178.9-11.100119.4
1053S26Very low23.4Very low127 Ų127150.5 Ų150.589%0.88882%0.816SS**  trans-133.3101.1137.121.80000108.2
1054I22.8Very low23.3Very low149 Ų149152.1 Ų152.176%0.76482%0.82SS**  trans-82.9113.9171.2-66.1169.8000106.3
1055E23.7Very low23.3Very low181 Ų181150.3 Ų150.385%0.84682%0.82SS**  trans-147.7109.8160-116.5174-163.700112.4
1056S25.3Very low23.7Very low105 Ų105148 Ų14873%0.73481%0.813SS**  trans60.4104.1147.545.60000120.7K1058S1056-K1058 PolarHBondContact O-N 2.85Å
1057L20.3Very low23.5Very low168 Ų168147.9 Ų147.988%0.8881%0.813SS**  trans-47.4124.1154.7-73.3124.3000112.9
1058K23.5Very low23.5Very low206 Ų206148 Ų14890%0.89681%0.814SS**  trans-126114.4152-93.3-178.8178.4173.20109.5S1056S1056-K1058 PolarHBondContact O-N 2.85Å
1059V21.2Very low23.5Very low128 Ų128148.1 Ų148.178%0.77681%0.812SS**  trans-73.1123174.2174.50000108.8
1060S22.5Very low23.4Very low114 Ų114145 Ų14580%0.79780%0.804SS**  trans-141.6105.7159.157.10000109.7
1061T20.3Very low23.4Very low128 Ų128145.4 Ų145.479%0.78581%0.806SS**  trans-67.6125.8170.545.20000111.3
1062S24.1Very low23.2Very low114 Ų114146.5 Ų146.580%0.79781%0.811SS**  trans-156.6116.6149.461.30000111.3
1063Y19.8Very low23.3Very low222 Ų222147.4 Ų147.487%0.87182%0.82SS**  trans-49.9136.7170.1-86.7-106.3000113.3
1064K24.3Very low23.1Very low209 Ų209146.3 Ų146.391%0.90981%0.813SS**  -169.1127.3122.8-101.9169.6-174.7-177.20110.5
1065S22.2Very low23Very low111 Ų111146.8 Ų146.878%0.77682%0.817SS**  trans-82.9167.5-176.446.20000112.8
1066P33Very low22.9Very low117 Ų117149 Ų14976%0.7682%0.818SS**  trans-106.1163.7-152.139.6-32000113.9
1067T22.6Very low22.7Very low142 Ų142150.6 Ų150.687%0.87182%0.823SS**  trans-163.9132.9143.8250000112.7
1068L22.9Very low22.8Very low161 Ų161147.5 Ų147.584%0.84381%0.811SS**  trans-40.3152.3169.1-71.5125.7000116.1
1069P24.6Very low22.7Very low126 Ų126145.8 Ų145.882%0.81881%0.811SS**  -140.114676.233.2-14.1000112.9
1070G20.6Very low22.8Very low56 Ų56146.2 Ų146.258%0.57781%0.814SS**  86.980.156.300000109.4
1071N24.4Very low22.8Very low166 Ų166146.1 Ų146.189%0.88881%0.814SS**  trans-145.7116.6155.7-107.1-11.7000111.3
1072F20.6Very low22.9Very low186 Ų186146.5 Ų146.582%0.81682%0.816SS**  trans-56.3142.4165.8-72.7-104.2000110.5
1073L23.7Very low22.9Very low179 Ų179148.6 Ų148.694%0.93782%0.818SS**  trans-157.9115.1134.2-101.3163.4000108.4
1074S22.6Very low23Very low104 Ų104143.9 Ų143.973%0.72781%0.813SS**  trans-78.3120.4-170.5-55.60000111.3R1076S1074-R1076 PolarHBondContact O-N 2.93Å
1075N21.4Very low23Very low160 Ų160144 Ų14486%0.85681%0.813SS**  trans-67.5121.4159.2-79.9-23.4000109.3
1076R21.3Very low23.1Very low227 Ų227145.2 Ų145.286%0.85782%0.816SS**  trans-129.485.2163.9-154.3176.7-164.7-179.43.7109.6S1074 T1078S1074-R1076 PolarHBondContact O-N 2.93Å; R1076-T1078 HydrophobicContact CG-CG2 4.38Å
1077T21.6Very low23.8Very low138 Ų138145 Ų14585%0.84782%0.815SS**  trans-79.2120.3159.510.30000108.2
1078T21.5Very low23.9Very low104 Ų104148.4 Ų148.464%0.63881%0.813SS**  trans-126102.9169.742.10000109.9R1076R1076-T1078 HydrophobicContact CG-CG2 4.38Å
1079L21.1Very low24Very low169 Ų169146.7 Ų146.789%0.88581%0.809SS**  45.794.1128.6-65.3158.3000117.4
1080T22.9Very low23.8Very low138 Ų138145.1 Ų145.185%0.84781%0.807SS**  trans-94.8108.1148.947.20000109
1081S22.5Very low23.9Very low112 Ų112147.1 Ų147.178%0.78381%0.812SS**  trans-76.4114.8176.751.20000111.7
1082T23Very low23.9Very low136 Ų136145.7 Ų145.783%0.83481%0.805SS**  trans-91.5104.9166.348.60000109.3
1083N24Very low23.9Very low158 Ų158147.6 Ų147.685%0.84581%0.808SS**  trans-98.6115.6172.6-116-10.2000109.7
1084T21Very low24Very low123 Ų123147.6 Ų147.676%0.75580%0.803SS**  trans-68.7133.3169.745.50000111.9
1085K26.1Very low23.9Very low211 Ų211148.1 Ų148.192%0.91781%0.806SS**  trans-143.9133.2148.2-88.1-170.6179.4176.60110.5
1086T23.7Very low24Very low136 Ų136145.6 Ų145.683%0.83480%0.801SS**  trans-86.4174.9-168.731.60000113.9
1087P47.7Very low24.1Very low113 Ų113140.3 Ų140.373%0.73480%0.799SS**  trans-99.5163.9-15638.7-32.6000114.7
1088Y24.5Very low24.2Very low214 Ų214140 Ų14084%0.83980%0.798SS**  trans-138.7116.8164.9-97.1-86.4000111.7
1089T25Very low24.4Very low124 Ų124142.7 Ų142.776%0.76181%0.808SS**  trans54.3128.5131.259.40000123.1
1090A21.2Very low24.7Very low94 Ų94140.1 Ų140.178%0.77780%0.801SS**  trans-56.9147.8163.900000114.5
1091S21.4Very low24.8Very low98 Ų98142.6 Ų142.669%0.68580%0.801SS**  174.9158.39964.80000111.9
1092D24.3Very low24.9Very low135 Ų135145.6 Ų145.672%0.72280%0.802SS**  trans90.697152.9-51.9-36.2000120.9H1094D1092-H1094 PolarHBondContact O-N 3.15Å
1093Y20.5Very low25Very low227 Ų227146.9 Ų146.989%0.8980%0.803SS**  trans-29.5119.5143.1-71-93.7000113.6
1094H26.2Very low25Very low178 Ų178148.2 Ų148.282%0.82480%0.804SS**  trans-136.4116141.6-89.9-64.9000110.3D1092D1092-H1094 PolarHBondContact O-N 3.15Å
1095S21.2Very low25.2Very low115 Ų115146.3 Ų146.380%0.80480%0.796SS**  trans-51.9126.5161.850.50000111.7
1096S23.2Very low25.1Very low107 Ų107142.3 Ų142.375%0.74879%0.794SS**  trans-147.298.9151.559.80000109.1
1097S22.7Very low25.3Very low116 Ų116143.7 Ų143.781%0.81180%0.795SS**  trans-58.9127.1159.452.60000110.2
1098T25.6Very low24.3Very low133 Ų133143.7 Ų143.782%0.81680%0.798SS**  trans-149.9118155.714.50000109.6
1099N25.7Very low24.3Very low159 Ų159139.5 Ų139.585%0.8579%0.794SS**  trans-57.9137.9177.6-76.9-40.2000112.1
1100P27.4Very low24.3Very low115 Ų115136.8 Ų136.875%0.74779%0.791SS**  trans-9797.8171.734.4-24.5000109.5
1101F24.4Very low24.5Very low190 Ų190142 Ų14283%0.83379%0.792SS**  trans-141.2135.5161.6-94-79.3000110.4
1102E23.2Very low24.8Very low176 Ų176147.1 Ų147.182%0.82280%0.802SS**  trans75.599.9159.4-66.8176.7170.300118.3
1103L26.7Very low24.7Very low163 Ų163146 Ų14685%0.85381%0.805SS**  trans-130.290.4149.5-119.1139.2000108
1104E22.5Very low25.1Very low186 Ų186140.6 Ų140.687%0.86980%0.8SS**  trans-64130.8154.1-71.3-171.2146.400108.8
1105S26.2Very low25Very low83 Ų83138.8 Ų138.858%0.5880%0.802SS**  trans-174.294.8144.429.30000110.1I1107S1105-I1107 PolarHBondContact O-N 2.97Å
1106S24.5Very low25.3Very low126 Ų126140.9 Ų140.988%0.88180%0.804SS**  trans899.3132.828.50000116.6
1107I27.9Very low25.7Very low165 Ų165141.4 Ų141.485%0.84681%0.805SS**  trans-100.4112.2159.2-63.9175.7000107.5S1105S1105-I1107 PolarHBondContact O-N 2.97Å
1108S25.5Very low26Very low113 Ų113140.3 Ų140.379%0.7980%0.803SS**  trans-69.7131.7-177.944.70000112G1110S1108-G1110 PolarHBondContact O-N 2.95Å
1109V24.5Very low25.9Very low126 Ų126143 Ų14376%0.76481%0.807SS**  trans-70.5106.2174.3176.90000109.2Y1111V1109-Y1111 HydrophobicContact CG1-CD2 4.33Å; V1109-Y1111 HydrophobicContact CG1-CE2 4.25Å
1110G26.6Very low26Very low67 Ų67140.2 Ų140.269%0.69180%0.799SS**  trans-86.1107.8170.500000111.2S1108 F1112S1108-G1110 PolarHBondContact O-N 2.95Å; G1110-F1112 PolarHBondContact O-N 2.6Å
1111Y24.5Very low25.9Very low203 Ų203142.6 Ų142.680%0.79681%0.806SS**  trans-69116.5167.3-82.4-98.8000110.1V1109V1109-Y1111 HydrophobicContact CG1-CD2 4.33Å; V1109-Y1111 HydrophobicContact CG1-CE2 4.25Å
1112F27Very low26Very low207 Ų207140.7 Ų140.791%0.90880%0.803SS**  trans-128.795156.7-83.1-75.4000109.6G1110G1110-F1112 PolarHBondContact O-N 2.6Å
1113S23.5Very low26.1Very low112 Ų112136.9 Ų136.978%0.78380%0.796SS**  trans-82112.1163.452.20000109.4
1114S27.6Very low26Very low112 Ų112135.5 Ų135.578%0.78379%0.794SS**  trans-157.778155.766.10000110
1115T25.7Very low26.2Very low141 Ų141134.9 Ų134.987%0.86579%0.791SS**  trans-77.8109.5160.143.80000108.3
1116N27.3Very low26.1Very low158 Ų158139.8 Ų139.885%0.84580%0.802SS**  trans-107.5127.1158.7-108.1-12.7000107.8A1118N1116-A1118 PolarHBondContact O-N 2.9Å
1117P30.9Very low26.2Very low119 Ų119139.4 Ų139.477%0.77380%0.797SS**  trans-85.7112.1-167.132.9-30.5000110.2
1118A28.1Very low26.2Very low93 Ų93139.7 Ų139.777%0.76980%0.799SS**  trans-90.3105.9164.600000108.2N1116 S1120N1116-A1118 PolarHBondContact O-N 2.9Å; A1118-S1120 PolarHBondContact O-N 3.03Å
1119Q25.2Very low26.5Very low190 Ų190140.9 Ų140.989%0.88880%0.796SS**  trans-50.8120.4168.1-67.8169.2-44.800109.5
1120S27.5Very low27.1Very low99 Ų99140 Ų14069%0.69279%0.793SS**  trans-125.1103.6161.448.20000107.5A1118 L1122A1118-S1120 PolarHBondContact O-N 3.03Å; S1120-L1122 PolarHBondContact O-N 2.79Å
1121D24.9Very low27.3Very low166 Ų166145.1 Ų145.189%0.88880%0.797SS**  trans-59.1102.7169.4-69.5-46.2000108.8
1122L25.6Very low27.5Very low149 Ų149143.2 Ų143.278%0.7880%0.8SS**  trans-118.8104.7168.1-94.8155.1000108.4S1120 V1124S1120-L1122 PolarHBondContact O-N 2.79Å; L1122-V1124 PolarHBondContact O-N 3.14Å
1123S25.5Very low27.6Very low96 Ų96142.1 Ų142.167%0.67180%0.798SS**  trans-45116.7176.350.80000112.4H1125S1123-H1125 PolarHBondContact O-N 3.15Å
1124V26.1Very low28Very low135 Ų135142.5 Ų142.582%0.81880%0.798SS**  trans-63.399172.6179.30000109.3L1122 K1126L1122-V1124 PolarHBondContact O-N 3.14Å; V1124-K1126 PolarHBondContact O-N 3.1Å
1125H25.1Very low27.9Very low172 Ų172143.5 Ų143.580%0.79680%0.795SS**  trans-72.3105.9160.7-86.6-75000108.2S1123 P1127S1123-H1125 PolarHBondContact O-N 3.15Å; H1125-P1127 WeakPolarHBondContact O-CD 3.45Å
1126K25.8Very low28.1Very low186 Ų186144.5 Ų144.581%0.80980%0.795SS**PPolyproline II helixtrans-56118.2167.9-94178.8171179.30109.3V1124V1124-K1126 PolarHBondContact O-N 3.1Å
1127P26.4Very low28.2Very low119 Ų119142.1 Ų142.177%0.77379%0.79SS**PPolyproline II helixtrans-73.4132.7170.129.4-29.1000109.1H1125 N1129H1125-P1127 WeakPolarHBondContact O-CD 3.45Å; P1127-N1129 PolarHBondContact O-N 2.78Å
1128L27.1Very low28Very low170 Ų170144.6 Ų144.689%0.8980%0.796SS**PPolyproline II helixtrans-62.8130.1174.3-80.9107.4000110
1129N30.8Very low27.9Very low139 Ų139147.4 Ų147.474%0.74380%0.798SS**PPolyproline II helixtrans-76.2121.8-178.2-152.39.8000109.3P1127 F1131P1127-N1129 PolarHBondContact O-N 2.78Å; N1129-F1131 PolarHBondContact O-N 3.25Å
1130P38.6Very low27.9Very low107 Ų107147 Ų14770%0.69579%0.794SS**  trans-94.727.1-170.414.43.9000114.8
1131F30.4Very low27.9Very low174 Ų174150 Ų15076%0.76380%0.802SS**  trans-114.237.3-173.6-71.5-70.8000115.2N1129N1129-F1131 PolarHBondContact O-N 3.25Å
1132D28.6Very low28.1Very low163 Ų163147.7 Ų147.787%0.87279%0.79SS**  trans-107.182.3164-75.1-34.2000109.3
1133E28.2Very low28.3Very low184 Ų184148.9 Ų148.986%0.8680%0.797SS**  trans-82.6125.3164.1-82.4-171.8155.800109.5
1134P32.1Very low28.6Very low121 Ų121151 Ų15179%0.78680%0.801SS**  trans-85.4116.817831.5-28.3000110.7D1136P1134-D1136 PolarHBondContact O-N 2.87Å
1135N27Very low28.8Very low133 Ų133152.6 Ų152.671%0.71181%0.805SS**  trans-68.1112.6163-81.4-34.8000109.9
1136D29.9Very low29.1Very low162 Ų162152 Ų15287%0.86681%0.808SS**  trans-130.599.6158.7-95.9-31.2000109.8P1134P1134-D1136 PolarHBondContact O-N 2.87Å
1137S29.6Very low29.2Very low108 Ų108146.5 Ų146.576%0.75580%0.803SS**  trans-90.6113.3166.350.20000109.4
1138L26.7Very low29.2Very low171 Ų171147.8 Ų147.890%0.89580%0.804SS**  trans-146.1145160.3-85.5-177.9000113.5
1139N24.8Very low29.2Very low152 Ų152148.7 Ų148.781%0.81380%0.803SS**  trans-67151.4-159.7-79.5-39.2000118.2
1140F24.4Very low28.9Very low182 Ų182149 Ų14980%0.79881%0.805SS**  trans-38.8130.4153.9-77.5-98.6000114.9
1141N28.3Very low28.3Very low162 Ų162151.6 Ų151.687%0.86681%0.811SS**  -154.1142124.8-98.4-24.5000110.3
1142N29.5Very low28.1Very low117 Ų117148.9 Ų148.963%0.62681%0.809SS**  trans-64.3144.8-169.8-53.1-34.2000113.6
1143D29.5Very low27.9Very low173 Ų173146 Ų14693%0.92580%0.802SS**  trans-143.3122.9131.2-89.7-36.1000108.1
1144D32.4Very low27.8Very low142 Ų142145.9 Ų145.976%0.75980%0.801SS**  trans-74.9137.2178.8-59.6-60.8000111
1145D30.8Very low27.5Very low168 Ų168145.3 Ų145.390%0.89880%0.799SS**  trans-159.9117.8135.2-137.4-7.8000110.9
1146D30Very low27.2Very low160 Ų160148.8 Ų148.886%0.85681%0.809SS**  trans-95.5144.1-172.2-95.9-39.6000112.1
1147G28.4Very low27Very low69 Ų69148.9 Ų148.971%0.71181%0.809SS**  trans18071.1172.500000111.6
1148N26.6Very low26.7Very low147 Ų147154.9 Ų154.979%0.78682%0.815SS**  84.788.481.3-15418.7000113.3
1149E26.3Very low26.7Very low188 Ų188156.5 Ų156.588%0.87982%0.815SS**  trans-110.7128.3172.6-75.9-168.8157.100111.5
1150N25.4Very low26.6Very low146 Ų146153.9 Ų153.978%0.78181%0.808SS**  trans-84.1119.7-176.7-77.7-47.4000111.9
1151I26Very low26.7Very low161 Ų161154.3 Ų154.383%0.82681%0.813SS**  trans-117.1106.2162.2-64.1174.8000107.8
1152T26.2Very low26.4Very low118 Ų118154.4 Ų154.472%0.72481%0.808SS**  trans-92104.6174.144.50000110.4
1153S23Very low26.4Very low102 Ų102157.6 Ų157.671%0.71382%0.819SS**  trans-95122.9159.151.90000108.3
1154H26.9Very low26.1Very low182 Ų182157.7 Ų157.784%0.84381%0.813SS**  trans-120.3111.6170.6-86.4-58.8000110.3
1155S25.2Very low25.9Very low108 Ų108155.8 Ų155.876%0.75581%0.811SS**  trans-74.1147.1179.443.60000112.5
1156F21.7Very low25.5Very low207 Ų207155.1 Ų155.191%0.90881%0.807SS**  trans-49130.6161.5-83.6-99.7000111.5
1157N26.3Very low25.2Very low164 Ų164154.1 Ų154.188%0.87780%0.802SS**  trans-142116.8153.5-119.6-16.4000111.1
1158R23.1Very low25Very low234 Ų234156.3 Ų156.388%0.88380%0.801SS**  trans-64142163.9-70174172.4177-3.1109
1159K25.1Very low24.9Very low205 Ų205152.7 Ų152.789%0.89180%0.798SS**  -166.2136.3127.5-106169.4-175-1760111.6
1160S23.3Very low24.9Very low96 Ų96153.2 Ų153.267%0.67180%0.798SS**  trans-43.9146.3168.947.30000115.1
1161E26.4Very low24.9Very low191 Ų191153.4 Ų153.489%0.89380%0.799SS**  trans-158.1127.8132.2-109.5161.9-153.200111
1162H22.3Very low24.9Very low164 Ų164154.2 Ų154.276%0.75980%0.799SS**  trans-67.5138176.3-80.7-95.2000110.9
1163H29.7Very low24.9Very low185 Ų185153 Ų15386%0.85680%0.796SS**  trans-143.599.1149.8-94.8-71.7000109.8
1164E23.3Very low25.1Very low174 Ų174156.9 Ų156.981%0.81381%0.808SS**  trans-77.8135.5157.7-72176.3145.400109.4
1165S28.4Very low25Very low102 Ų102155.4 Ų155.471%0.71381%0.805SS**  trans179.597.6149.552.90000107.3
1166L22.9Very low25.2Very low155 Ų155154 Ų15481%0.81281%0.807SS**  53114.191.8-78158.8000113.9
1167D23.3Very low25.4Very low138 Ų138151.6 Ų151.674%0.73880%0.799SS**  125.1132.5113.4-102.3-16.5000120
1168V24.7Very low25.2Very low115 Ų115151.2 Ų151.270%0.69779%0.792SS**  trans82.9110.2145.8-176.20000118.8
1169G23.7Very low25.4Very low71 Ų71149 Ų14973%0.73279%0.791SS**  trans-70.6158.616600000113.7
1170F26.7Very low25.3Very low199 Ų199147.6 Ų147.687%0.87379%0.788SS**  trans-119109.1167.2-99.9-91.5000109.1
1171N24.5Very low25.4Very low151 Ų151152 Ų15281%0.80780%0.798SS**  trans-69.2140.2151.1-82.9-31.2000108.3
1172E26.7Very low25.3Very low177 Ų177151 Ų15183%0.82779%0.793SS**  174.8118.8118.2-96.7-179173.200112.2
1173S25Very low25.4Very low94 Ų94150.2 Ų150.266%0.65780%0.795SS**  trans12.5119.4139.653.20000119.8
1174L28.3Very low25.2Very low183 Ų183149.8 Ų149.896%0.95880%0.798SS**  trans-117.8106.3146.3-90.5158.7000109.1
1175I25.5Very low25.3Very low151 Ų151146.8 Ų146.877%0.77480%0.796SS**  trans-74.5130.3169.2-67.1164.6000107.6
1176G29.2Very low25.1Very low79 Ų79151.1 Ų151.181%0.81480%0.802SS**  trans-145.6111.7172.600000109.8
1177E25.9Very low25.2Very low156 Ų156149.8 Ų149.873%0.72980%0.803SS**  trans-72.5147.3-162.7-71.417413300116.6
1178Q21.6Very low25.2Very low155 Ų155154.8 Ų154.872%0.72481%0.811SS**  trans41.2121.5131.1-53.7177.516.300120.1
1179Q26.2Very low25.2Very low187 Ų187155 Ų15587%0.87482%0.817SS**  -175.2140.296-95.7176.719.300112.2
1180Q23.8Very low25.3Very low176 Ų176156.7 Ų156.782%0.82282%0.818SS**  trans-65.9143.6-176.8-66.8158.1-14.200113
1181Q25.1Very low25.3Very low188 Ų188153.9 Ų153.988%0.87981%0.813SS**  trans-150.1105.4137.1-108.6168.840.900109.6N1183Q1181-N1183 PolarHBondContact O-N 2.94Å
1182Q24Very low25.7Very low171 Ų171151.8 Ų151.880%0.79981%0.807SS**  trans-61.7126169.3-66.9170.5-9.800109.2
1183N25.5Very low25.8Very low147 Ų147150.9 Ų150.979%0.78680%0.801SS**  trans-138.3113.1155.8-95.2-34.7000108.6Q1181 S1185Q1181-N1183 PolarHBondContact O-N 2.94Å; N1183-S1185 PolarHBondContact O-N 3.27Å; N1183-S1185 VanDerWaalsContact O-N 3.07Å
1184L25.3Very low25.8Very low176 Ų176154.4 Ų154.492%0.92181%0.812SS**  trans-57.9103.4-179.9-72.2105.8000111.3
1185S25.5Very low25.9Very low112 Ų112156.3 Ų156.378%0.78381%0.807SS**  trans-92.9108.7165.157.10000109.7N1183N1183-S1185 PolarHBondContact O-N 3.27Å; N1183-S1185 VanDerWaalsContact O-N 3.07Å
1186K24.1Very low26Very low193 Ų193160.3 Ų160.384%0.83983%0.83SS**  trans-50.8143.2169.3-81.4176.51741770111.1R1188K1186-R1188 PolarHBondContact O-N 2.82Å
1187P24.4Very low25.9Very low126 Ų126164.4 Ų164.482%0.81883%0.83SS**  trans-69.8124.5-171.928.8-32.3000110.3S1189P1187-S1189 PolarHBondContact O-N 2.76Å
1188R22.6Very low25.9Very low244 Ų244164.8 Ų164.892%0.92184%0.836SS**  trans-69.2109.9167.1-78.4178.3170.5174.2-3.5107.7K1186 S1190K1186-R1188 PolarHBondContact O-N 2.82Å; R1188-S1190 PolarHBondContact O-N 3.47Å
1189S25.5Very low26.1Very low118 Ų118165.3 Ų165.383%0.82584%0.842SS**  trans-65.797.7164.255.80000108.5P1187 N1191P1187-S1189 PolarHBondContact O-N 2.76Å; S1189-N1191 PolarHBondContact O-N 3.25Å
1190S25.5Very low26.1Very low108 Ų108164.1 Ų164.176%0.75584%0.84SS**  trans-65.9108167.248.50000108.4R1188 P1192R1188-S1190 PolarHBondContact O-N 3.47Å; S1190-P1192 WeakPolarHBondContact O-CD 3.37Å
1191N26.7Very low26.2Very low140 Ų140163.3 Ų163.375%0.74984%0.841SS**  trans-81.4111.1172.4-159.818.6000107.4S1189 F1193S1189-N1191 PolarHBondContact O-N 3.25Å; N1191-F1193 VanDerWaalsContact C-N 3.29Å; N1191-F1193 PolarHBondContact O-N 3.03Å
1192P34.3Very low26.3Very low107 Ų107161.7 Ų161.770%0.69584%0.839SS**  trans-92.239.3-166.837-32.8000113.1S1190S1190-P1192 WeakPolarHBondContact O-CD 3.37Å
1193F28.2Very low26.5Very low158 Ų158161 Ų16169%0.69384%0.841SS**  trans-126.544.5179.2-71.1-77.4000112.2N1191N1191-F1193 VanDerWaalsContact C-N 3.29Å; N1191-F1193 PolarHBondContact O-N 3.03Å
1194D25.3Very low26.6Very low167 Ų167162.1 Ų162.189%0.89385%0.846SS**  trans-89.9100.9156.2-103.9-19000106.9
1195W30.5Very low26.7Very low223 Ų223160.9 Ų160.985%0.84584%0.839SS**  trans-95.2114.7165.9-77.576.3000107.1
1196D27.5Very low26.8Very low235 Ų235165.4 Ų165.4100%1.25784%0.844SS**  trans-73.40154.6-90.4-28.3000110

Retrieved 1,196 of 1,196 residues in 1605 ms (Link to these results)

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