A0A3Q0KS46_SCHMA Loading...

Putative flightless-I

AlphaFold DB , UniProt , Accession A0A3Q0KS46, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,388 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.6Very low79.6Confident205 Ų20553 Ų53100%1.0127%0.27SS*.  0-670-61.7-173.4-163.400112.8V3 V4M1-V3 PolarHBondContact O-N 2.82Å; M1-V4 PolarHBondContact O-N 2.83Å; M1-V4 VanDerWaalsContact O-N 3.08Å
2A66.6Low80.3Confident68 Ų6849.3 Ų49.356%0.56225%0.251SS*.G310 helixtrans-34.3-50.5-164.500000118V4 Q5 Y6A2-V4 VanDerWaalsContact C-N 3.29Å; A2-V4 PolarHBondContact O-N 3.24Å; A2-Q5 PolarHBondContact O-N 3.42Å; A2-Y6 WeakPolarHBondContact O-CD2 3.45Å
3V74Confident80.7Confident30 Ų3047.3 Ų47.318%0.18225%0.245CC..G310 helixtrans-56-36.6-175.7-178.50000113.6M1 Q5 Y6 L822 A868M1-V3 PolarHBondContact O-N 2.82Å; V3-Q5 VanDerWaalsContact C-N 3.29Å; V3-Q5 PolarHBondContact O-N 3.02Å; V3-Y6 PolarHBondContact O-N 3.01Å; V3-L822 HydrophobicContact CG1-CD2 3.54Å; V3-A868 HydrophobicContact CG1-CB 4.18Å
4V77.1Confident80.6Confident15 Ų1546.9 Ų46.99%0.09126%0.258CS..G310 helixtrans-64.6-32.6-173.1179.70000112.3M1 A2 Y6 L7 D58 M59M1-V4 PolarHBondContact O-N 2.83Å; M1-V4 VanDerWaalsContact O-N 3.08Å; A2-V4 VanDerWaalsContact C-N 3.29Å; A2-V4 PolarHBondContact O-N 3.24Å; V4-Y6 PolarHBondContact O-N 3.1Å; V4-Y6 VanDerWaalsContact O-N 3.11Å; V4-L7 WeakPolarHBondContact O-CB 3.5Å; V4-L7 PolarHBondContact O-N 3.09Å; V4-L7 VanDerWaalsContact O-N 3.14Å; V4-D58 HydrophobicContact CG1-CB 4.47Å; V4-M59 HydrophobicContact CG1-CE 3.97Å; V4-M59 HydrophobicContact CG1-CG 3.62Å
5Q80.6Confident80.4Confident102 Ų10244.3 Ų44.348%0.47724%0.244SC..G310 helixtrans-68.3-10.1-179.1-64.6179-10.700113.7A2 V3 R61A2-Q5 PolarHBondContact O-N 3.42Å; V3-Q5 VanDerWaalsContact C-N 3.29Å; V3-Q5 PolarHBondContact O-N 3.02Å; Q5-R61 WeakPolarHBondContact O-CD 3.28Å; Q5-R61 WeakPolarHBondContact O-CG 3.46Å
6Y81.3Confident80.1Confident128 Ų12846.6 Ų46.650%0.50226%0.256SS..G310 helixtrans-97.8-0.4177.7-63.9-96.4000113.3A2 V3 V4 L822A2-Y6 WeakPolarHBondContact O-CD2 3.45Å; V3-Y6 PolarHBondContact O-N 3.01Å; V4-Y6 PolarHBondContact O-N 3.1Å; V4-Y6 VanDerWaalsContact O-N 3.11Å; Y6-L822 PolarHBondContact O-N 2.93Å
7L86.3Confident79.7Confident3 Ų345.2 Ų45.22%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-71.9127.5179.7-164.273.9000111.4V4 L10 M59 L62 L822 L824V4-L7 WeakPolarHBondContact O-CB 3.5Å; V4-L7 PolarHBondContact O-N 3.09Å; V4-L7 VanDerWaalsContact O-N 3.14Å; L7-L10 HydrophobicContact CD2-CB 4.23Å; L7-L10 HydrophobicContact CD2-CD1 4.36Å; L7-M59 HydrophobicContact CD2-CE 4.22Å; L7-M59 HydrophobicContact CD2-CG 4.36Å; L7-M59 HydrophobicContact CD2-SD 3.76Å; L7-L62 HydrophobicContact CD2-CD1 4.16Å; L7-L62 HydrophobicContact CG-CD1 4.21Å; L7-L822 CarbonylContact C-O 3.6Å; L7-L822 WeakPolarHBondContact CA-O 3.3Å; L7-L822 HydrophobicContact CD1-CB 4.45Å; L7-L822 HydrophobicContact CD1-CD2 4.47Å; L7-L822 HydrophobicContact CD1-CG 4.25Å; L7-L824 HydrophobicContact CD1-CB 4.07Å
8R90.3Very high78.7Confident22 Ų2244.4 Ų44.48%0.08324%0.241CC..EExtended strand (participates in β ladder)trans-106.6-22176.8-69.8-58.2-158.5165.26.2114.5R61 Q63 Y821 L822 E823R8-R61 WeakPolarHBondContact CD-O 3.26Å; R8-R61 PolarHBondContact NH1-O 3Å; R8-Q63 PolarHBondContact O-N 3.48Å; R8-Y821 HydrophobicContact CG-CD1 4.06Å; R8-Y821 HydrophobicContact CG-CD2 3.74Å; R8-Y821 HydrophobicContact CG-CG 3.43Å; R8-Y821 VanDerWaalsContact CG-CG 3.43Å; R8-L822 PolarHBondContact N-O 3.46Å; R8-E823 HydrophobicContact CB-CG 4.4Å
9G89.5Confident77.5Confident0 Ų048.5 Ų48.50%026%0.256CS..EExtended strand (participates in β ladder)trans-144.9134.6-171.800000112.4W64 L824G9-W64 VanDerWaalsContact CA-CZ2 3.45Å; G9-L824 PolarHBondContact O-N 3.07Å
10L91.6Very high75.9Confident6 Ų651.4 Ų51.43%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-145132.2-177.9-176.764.8000111.5L7 L12 L56 M59 L62 W64 K66 L824L7-L10 HydrophobicContact CD2-CB 4.23Å; L7-L10 HydrophobicContact CD2-CD1 4.36Å; L10-L12 HydrophobicContact CD1-CD2 4.02Å; L10-L12 HydrophobicContact CD2-CD1 3.96Å; L10-L12 HydrophobicContact CD2-CD2 4.03Å; L10-L12 HydrophobicContact CD2-CG 3.99Å; L10-L12 HydrophobicContact CG-CD1 4.47Å; L10-L12 HydrophobicContact CG-CD2 3.98Å; L10-L12 HydrophobicContact CG-CG 3.96Å; L10-L56 HydrophobicContact CD2-CD2 3.71Å; L10-M59 HydrophobicContact CD2-CE 4.43Å; L10-M59 HydrophobicContact CD2-SD 3.72Å; L10-L62 HydrophobicContact CB-CD1 3.96Å; L10-L62 HydrophobicContact CB-CD2 4.26Å; L10-W64 VanDerWaalsContact C-CZ3 3.42Å; L10-W64 VanDerWaalsContact O-CZ3 3.28Å; L10-W64 WeakPolarHBondContact O-CZ3 3.48Å; L10-K66 PolarHBondContact O-N 3.26Å; L10-L824 HydrophobicContact CD1-CB 4.17Å; L10-L824 HydrophobicContact CD1-CD2 4.04Å; L10-L824 HydrophobicContact CD1-CG 4.48Å
11D91Very high74.7Confident4 Ų452.8 Ų52.82%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-115.8120.3173.9-156.2-16.3000110.1S13 W64 K66 L824 Q826D11-S13 VanDerWaalsContact OD1-CB 3.26Å; D11-S13 WeakPolarHBondContact OD1-CB 3.43Å; D11-S13 PolarHBondContact OD1-N 3.4Å; D11-S13 PolarHBondContact OD1-OG 3.06Å; D11-W64 HydrophobicContact CB-CZ3 4.21Å; D11-K66 HydrophobicContact CB-CD 4.03Å; D11-K66 VanDerWaalsContact OD1-CB 3.31Å; D11-K66 WeakPolarHBondContact OD1-CB 3.35Å; D11-K66 WeakPolarHBondContact OD1-CD 3.38Å; D11-K66 WeakPolarHBondContact OD2-CD 3.34Å; D11-K66 WeakPolarHBondContact OD2-CE 3.49Å; D11-K66 IonicContact OD2-NZ 3.78Å; D11-K66 PolarHBondContact OD2-NZ 2.87Å; D11-L824 PolarHBondContact N-O 3.15Å; D11-Q826 HydrophobicContact CB-CB 3.79Å
12L87.9Confident74.8Confident8 Ų847.2 Ų47.24%0.04225%0.246CC..  trans-116.522.4179.4-60.8178.6000111.3L10 G14 I15 F17 L56 K66 L67 V70L10-L12 HydrophobicContact CD1-CD2 4.02Å; L10-L12 HydrophobicContact CD2-CD1 3.96Å; L10-L12 HydrophobicContact CD2-CD2 4.03Å; L10-L12 HydrophobicContact CD2-CG 3.99Å; L10-L12 HydrophobicContact CG-CD1 4.47Å; L10-L12 HydrophobicContact CG-CD2 3.98Å; L10-L12 HydrophobicContact CG-CG 3.96Å; L12-G14 PolarHBondContact O-N 2.94Å; L12-I15 HydrophobicContact CB-CD1 4.01Å; L12-I15 HydrophobicContact CD2-CD1 3.78Å; L12-I15 HydrophobicContact CG-CD1 4.47Å; L12-I15 PolarHBondContact O-N 3.14Å; L12-F17 HydrophobicContact CD1-CZ 4.25Å; L12-L56 HydrophobicContact CD1-CD2 4.32Å; L12-K66 PolarHBondContact N-O 3.27Å; L12-L67 HydrophobicContact CB-CD2 4.23Å; L12-L67 HydrophobicContact CD1-CD2 4.04Å; L12-V70 WeakPolarHBondContact O-CG1 3.26Å
13S86Confident73.9Confident24 Ų2447.1 Ų47.117%0.16824%0.236CC..THydrogen-bonded Turntrans-63.3115.1-169.2-65.80000112.8D11 R68 Q826D11-S13 VanDerWaalsContact OD1-CB 3.26Å; D11-S13 WeakPolarHBondContact OD1-CB 3.43Å; D11-S13 PolarHBondContact OD1-N 3.4Å; D11-S13 PolarHBondContact OD1-OG 3.06Å; S13-R68 CarbonylContact C-O 3.52Å; S13-R68 VanDerWaalsContact CA-O 3.27Å; S13-R68 WeakPolarHBondContact CA-O 3.41Å; S13-R68 WeakPolarHBondContact OG-CB 2.95Å; S13-Q826 PolarHBondContact O-NE2 3.45Å; S13-Q826 PolarHBondContact O-OE1 3.27Å; S13-Q826 VanDerWaalsContact O-OE1 3.09Å
14G78.5Confident72.7Confident42 Ų4248.2 Ų48.243%0.43324%0.24SC..THydrogen-bonded Turntrans101.5-7.1179.600000116L12 N16 R68 N69L12-G14 PolarHBondContact O-N 2.94Å; G14-N16 PolarHBondContact O-N 2.75Å; G14-R68 PolarHBondContact N-O 3.46Å; G14-N69 CarbonylContact C-O 3.45Å; G14-N69 VanDerWaalsContact CA-O 3.27Å; G14-N69 WeakPolarHBondContact CA-O 3.28Å
15I77.3Confident71.5Confident8 Ų851.6 Ų51.64%0.04126%0.258CS..  trans-78.4113.9178.4-55.8172.7000109.3L12 F17 P51 V70 I811 Y813 M880L12-I15 HydrophobicContact CB-CD1 4.01Å; L12-I15 HydrophobicContact CD2-CD1 3.78Å; L12-I15 HydrophobicContact CG-CD1 4.47Å; L12-I15 PolarHBondContact O-N 3.14Å; I15-F17 HydrophobicContact CB-CE2 4.03Å; I15-F17 HydrophobicContact CB-CZ 4.16Å; I15-F17 HydrophobicContact CG2-CD2 4.5Å; I15-F17 HydrophobicContact CG2-CE1 4.11Å; I15-F17 HydrophobicContact CG2-CE2 3.93Å; I15-F17 HydrophobicContact CG2-CZ 3.7Å; I15-F17 VanDerWaalsContact O-CD2 3.31Å; I15-F17 WeakPolarHBondContact O-CD2 3.43Å; I15-F17 WeakPolarHBondContact O-CE2 3.44Å; I15-F17 PolarHBondContact O-N 3.28Å; I15-P51 HydrophobicContact CG2-CB 4.18Å; I15-P51 HydrophobicContact CG2-CG 4.41Å; I15-V70 CarbonylContact O-C 3.58Å; I15-V70 WeakPolarHBondContact O-CA 3.33Å; I15-V70 WeakPolarHBondContact O-CB 3.43Å; I15-I811 HydrophobicContact CG1-CD1 4.17Å; I15-Y813 WeakPolarHBondContact CD1-OH 3.23Å; I15-M880 HydrophobicContact CD1-SD 3.79Å; I15-M880 HydrophobicContact CG1-SD 4.01Å; I15-M880 HydrophobicContact CG2-CG 4.31Å; I15-M880 HydrophobicContact CG2-SD 4.19Å
16N75.3Confident70.2Confident81 Ų8153.8 Ų53.843%0.43327%0.266SS..  trans-87.2109.6-177.8-173.4-27.7000112G14 E18 V70G14-N16 PolarHBondContact O-N 2.75Å; N16-E18 PolarHBondContact OD1-N 2.95Å; N16-V70 WeakPolarHBondContact CA-O 3.42Å
17F73.3Confident68.5Low23 Ų2350.4 Ų50.410%0.10126%0.255CS..  trans-86.2-13.3-179.5-65-82.7000114.4L12 I15 P51 T53 V70L12-F17 HydrophobicContact CD1-CZ 4.25Å; I15-F17 HydrophobicContact CB-CE2 4.03Å; I15-F17 HydrophobicContact CB-CZ 4.16Å; I15-F17 HydrophobicContact CG2-CD2 4.5Å; I15-F17 HydrophobicContact CG2-CE1 4.11Å; I15-F17 HydrophobicContact CG2-CE2 3.93Å; I15-F17 HydrophobicContact CG2-CZ 3.7Å; I15-F17 VanDerWaalsContact O-CD2 3.31Å; I15-F17 WeakPolarHBondContact O-CD2 3.43Å; I15-F17 WeakPolarHBondContact O-CE2 3.44Å; I15-F17 PolarHBondContact O-N 3.28Å; F17-P51 HydrophobicContact CD1-CB 3.67Å; F17-P51 HydrophobicContact CE1-CB 3.87Å; F17-T53 HydrophobicContact CD1-CG2 3.61Å; F17-T53 HydrophobicContact CD2-CG2 4.22Å; F17-T53 HydrophobicContact CE1-CG2 3.71Å; F17-T53 HydrophobicContact CE2-CG2 4.31Å; F17-T53 HydrophobicContact CG-CG2 3.9Å; F17-T53 HydrophobicContact CZ-CG2 4.07Å; F17-V70 HydrophobicContact CD2-CB 3.98Å; F17-V70 HydrophobicContact CD2-CG2 4.37Å; F17-V70 HydrophobicContact CE2-CB 4.11Å; F17-V70 HydrophobicContact CE2-CG1 4.47Å; F17-V70 PolarHBondContact N-O 3.5Å; F17-V70 VanDerWaalsContact N-O 3.17Å
18E61.9Low66.7Low30 Ų3057.3 Ų57.314%0.1428%0.28CS..THydrogen-bonded Turntrans-97.2-9.2-154.7-134.2-158.4-131.500116.5N16 H20 K21 G71 K73N16-E18 PolarHBondContact OD1-N 2.95Å; E18-H20 PolarHBondContact O-N 3.29Å; E18-K21 PolarHBondContact O-N 3.29Å; E18-G71 VanDerWaalsContact CB-O 3.27Å; E18-G71 WeakPolarHBondContact CB-O 3.3Å; E18-K73 VanDerWaalsContact OE1-CB 3.29Å; E18-K73 WeakPolarHBondContact OE1-CB 3.46Å; E18-K73 PolarHBondContact OE1-N 3.39Å; E18-K73 VanDerWaalsContact OE2-CD 3.32Å; E18-K73 WeakPolarHBondContact OE2-CD 3.39Å; E18-K73 WeakPolarHBondContact OE2-CE 3.32Å; E18-K73 WeakPolarHBondContact OE2-CG 3.31Å; E18-K73 IonicContact OE2-NZ 2.76Å; E18-K73 PolarHBondContact OE2-NZ 2.63Å
19K56Low64.9Low122 Ų12259 Ų5953%0.5330%0.3SS..Hα-helixtrans-56.2-18.9175.9-74.7-172.3173.5-1750113.9K21 W50K19-K21 VanDerWaalsContact C-N 3.28Å; K19-K21 PolarHBondContact O-N 2.95Å; K19-W50 HydrophobicContact CB-CD2 4.06Å; K19-W50 HydrophobicContact CB-CE3 3.72Å; K19-W50 HydrophobicContact CB-CH2 3.58Å; K19-W50 HydrophobicContact CB-CZ2 3.89Å; K19-W50 HydrophobicContact CB-CZ3 3.5Å; K19-W50 VanDerWaalsContact CB-CZ3 3.5Å; K19-W50 HydrophobicContact CD-CE3 4.25Å; K19-W50 HydrophobicContact CD-CH2 3.66Å; K19-W50 HydrophobicContact CD-CZ3 3.38Å; K19-W50 HydrophobicContact CG-CH2 4.26Å; K19-W50 HydrophobicContact CG-CZ3 4.09Å
20H46.3Very low62.9Low106 Ų10662 Ų6249%0.49132%0.324SS..Hα-helixtrans-51.6-38.5174.1179.2-104.7000114E18 W50E18-H20 PolarHBondContact O-N 3.29Å; H20-W50 HydrophobicContact CB-CG 4.3Å; H20-W50 AromaticContact CD2-CD1 3.93Å
21K49.4Very low60.6Low81 Ų8172.1 Ų72.135%0.35236%0.362SS..Hα-helixtrans-85.4-48.7-166.8-154.7179.4178.6-167.50113.8E18 K19 L23 L24 D25E18-K21 PolarHBondContact O-N 3.29Å; K19-K21 VanDerWaalsContact C-N 3.28Å; K19-K21 PolarHBondContact O-N 2.95Å; K21-L23 VanDerWaalsContact C-N 3.32Å; K21-L23 PolarHBondContact O-N 2.84Å; K21-L24 PolarHBondContact O-N 3.38Å; K21-L24 VanDerWaalsContact O-N 3.11Å; K21-D25 PolarHBondContact O-N 3.03Å
22D50.9Low58.6Low88 Ų8882.6 Ų82.647%0.47140%0.401SS..Hα-helixtrans-63.8-30.7-174.8-76.9-44.4000114.1K26 K73D22-K26 WeakPolarHBondContact O-CD 3.36Å; D22-K26 VanDerWaalsContact O-CG 3.28Å; D22-K26 WeakPolarHBondContact O-CG 3.49Å; D22-K73 IonicContact OD2-NZ 2.63Å
23L47.5Very low56.8Low66 Ų6687.3 Ų87.335%0.34643%0.43SS..Hα-helixtrans-75.8-38.2173.5-90.183.5000111.9K21 D25 K26 Q27 W50K21-L23 VanDerWaalsContact C-N 3.32Å; K21-L23 PolarHBondContact O-N 2.84Å; L23-D25 PolarHBondContact O-N 3.29Å; L23-K26 PolarHBondContact O-N 3.02Å; L23-Q27 WeakPolarHBondContact O-CG 3.21Å; L23-Q27 PolarHBondContact O-N 3.01Å; L23-W50 HydrophobicContact CD1-CZ2 4.22Å; L23-W50 HydrophobicContact CD2-CZ2 4.22Å
24L48.4Very low54.5Low53 Ų5393.1 Ų93.128%0.27746%0.46SS..Hα-helixtrans-64.3-41.6-175.8-120.9150.6000111.7K21 Q27 R28K21-L24 PolarHBondContact O-N 3.38Å; K21-L24 VanDerWaalsContact O-N 3.11Å; L24-Q27 PolarHBondContact O-N 2.91Å; L24-R28 WeakPolarHBondContact O-CB 3.45Å; L24-R28 WeakPolarHBondContact O-CD 3.39Å; L24-R28 WeakPolarHBondContact O-CG 3.03Å; L24-R28 PolarHBondContact O-N 2.72Å
25D51.9Low52.7Low86 Ų8698.6 Ų98.646%0.4648%0.479SS..Hα-helixtrans-75.3-28.5177.5-71.7-28.9000112.6K21 L23 R28 A29K21-D25 PolarHBondContact O-N 3.03Å; L23-D25 PolarHBondContact O-N 3.29Å; D25-R28 PolarHBondContact O-N 3.19Å; D25-R28 IonicContact OD1-NH1 3.03Å; D25-R28 PolarHBondContact OD1-NH1 3.38Å; D25-A29 WeakPolarHBondContact O-CB 3.44Å; D25-A29 PolarHBondContact O-N 2.88Å
26K53.2Low50.9Low148 Ų148105.5 Ų105.564%0.64352%0.516SS*.Hα-helixtrans-67-45.1168.9-73.1171.8-173.4169.80112.3D22 L23 R28 A29 A30D22-K26 WeakPolarHBondContact O-CD 3.36Å; D22-K26 VanDerWaalsContact O-CG 3.28Å; D22-K26 WeakPolarHBondContact O-CG 3.49Å; L23-K26 PolarHBondContact O-N 3.02Å; K26-R28 VanDerWaalsContact C-N 3.33Å; K26-R28 PolarHBondContact O-N 2.94Å; K26-A29 PolarHBondContact O-N 3.47Å; K26-A30 PolarHBondContact O-N 3.01Å; K26-A30 VanDerWaalsContact O-N 3.07Å
27Q45.5Very low49.1Very low58 Ų58107.1 Ų107.127%0.27153%0.529SS..Hα-helixtrans-63.7-37.8174.6-75-177.1-13.200111.7L23 L24 A30 R31 P45L23-Q27 WeakPolarHBondContact O-CG 3.21Å; L23-Q27 PolarHBondContact O-N 3.01Å; L24-Q27 PolarHBondContact O-N 2.91Å; Q27-A30 PolarHBondContact O-N 3.09Å; Q27-R31 WeakPolarHBondContact O-CG 3.34Å; Q27-R31 PolarHBondContact O-N 3.43Å; Q27-P45 PolarHBondContact NE2-O 2.79Å
28R49.3Very low47.3Very low147 Ų147112.4 Ų112.456%0.55556%0.558SS**Hα-helixtrans-68.1-32.4174.2-75.7166.9170.3179.3-2.5113.5L24 D25 K26 R32L24-R28 WeakPolarHBondContact O-CB 3.45Å; L24-R28 WeakPolarHBondContact O-CD 3.39Å; L24-R28 WeakPolarHBondContact O-CG 3.03Å; L24-R28 PolarHBondContact O-N 2.72Å; D25-R28 PolarHBondContact O-N 3.19Å; D25-R28 IonicContact OD1-NH1 3.03Å; D25-R28 PolarHBondContact OD1-NH1 3.38Å; K26-R28 VanDerWaalsContact C-N 3.33Å; K26-R28 PolarHBondContact O-N 2.94Å; R28-R32 WeakPolarHBondContact O-CG 3.28Å
29A51.7Low45.9Very low59 Ų59117.7 Ų117.749%0.48859%0.587SS.*Hα-helixtrans-66.3-49.6172.100000111D25 K26 R31 R32D25-A29 WeakPolarHBondContact O-CB 3.44Å; D25-A29 PolarHBondContact O-N 2.88Å; K26-A29 PolarHBondContact O-N 3.47Å; A29-R31 PolarHBondContact O-N 3.13Å; A29-R32 PolarHBondContact O-N 3.25Å; A29-R32 VanDerWaalsContact O-N 3.09Å
30A47.6Very low44.9Very low61 Ų61118.6 Ų118.650%0.50460%0.598SS.*Hα-helixtrans-61.7-39.7179.100000113.1K26 Q27 R32 T33K26-A30 PolarHBondContact O-N 3.01Å; K26-A30 VanDerWaalsContact O-N 3.07Å; Q27-A30 PolarHBondContact O-N 3.09Å; A30-R32 PolarHBondContact O-N 3.07Å; A30-R32 VanDerWaalsContact O-N 3.1Å; A30-T33 PolarHBondContact O-N 3.35Å; A30-T33 PolarHBondContact O-OG1 3.48Å
31R43.8Very low44.2Very low219 Ų219117 Ų11783%0.82659%0.593SS**THydrogen-bonded Turntrans-66.9-6.6176-74.2-175.1-179.6-170.21.6114.6Q27 A29Q27-R31 WeakPolarHBondContact O-CG 3.34Å; Q27-R31 PolarHBondContact O-N 3.43Å; A29-R31 PolarHBondContact O-N 3.13Å
32R48.3Very low43.5Very low224 Ų224115.2 Ų115.285%0.84559%0.59SS**THydrogen-bonded Turntrans-97.1-6.4175.8-75.5177.7170.4177.7-2114.4R28 A29 A30R28-R32 WeakPolarHBondContact O-CG 3.28Å; A29-R32 PolarHBondContact O-N 3.25Å; A29-R32 VanDerWaalsContact O-N 3.09Å; A30-R32 PolarHBondContact O-N 3.07Å; A30-R32 VanDerWaalsContact O-N 3.1Å
33T50.3Low42.6Very low108 Ų108113.9 Ų113.966%0.66359%0.587SS**THydrogen-bonded Turntrans-103.9-17.9-172.652.80000115.6A30A30-T33 PolarHBondContact O-N 3.35Å; A30-T33 PolarHBondContact O-OG1 3.48Å
34N38Very low42.1Very low146 Ų146118 Ų11878%0.78161%0.609SS**  trans-104.394.2-178.6-80.618.2000112.9
35N39.9Very low41.6Very low157 Ų157118.2 Ų118.284%0.8461%0.614SS**  trans-129.981.8159.5-107.4-8.7000107.7
36N40.3Very low40.7Very low153 Ų153115.6 Ų115.682%0.81860%0.599SS**SBendtrans168.3124.1149-87.1-16000112.1
37T37.3Very low40.2Very low114 Ų114112.2 Ų112.270%0.69959%0.592SS**  trans52.5111.1146.557.50000121.6
38D35.4Very low40.1Very low135 Ų135110.7 Ų110.772%0.72259%0.588SS**  93.894.7126.1-55.3-0.2000121.3
39N33.3Very low40.2Very low141 Ų141110 Ų11075%0.75459%0.594SS**  trans81.9142.6137.6-56.5-17.8000122.4
40D34.9Very low40.5Very low140 Ų140110 Ų11075%0.74958%0.582SS**  trans72.655.5156.8-54.8-18.3000121.1
41N31.2Very low41.3Very low74 Ų74108.4 Ų108.440%0.39657%0.566SS.*  44.2139111-69.418.1000122.1N896N41-N896 HydrophobicContact CB-CB 4.21Å; N41-N896 WeakPolarHBondContact CB-O 3.42Å; N41-N896 VanDerWaalsContact ND2-CG 3.29Å; N41-N896 PolarHBondContact ND2-O 3.49Å; N41-N896 PolarHBondContact ND2-OD1 2.93Å; N41-N896 PolarHBondContact OD1-ND2 3.5Å; N41-N896 PolarHBondContact OD1-OD1 2.86Å
42P35.7Very low42.7Very low43 Ų4399.7 Ų99.728%0.27954%0.539SS..  cis-147.6-163.7-9.647.1-28.3000117.7N896 M897P42-N896 HydrophobicContact CB-CB 3.56Å; P42-N896 VanDerWaalsContact CB-O 3.3Å; P42-N896 WeakPolarHBondContact CB-O 3.34Å; P42-M897 HydrophobicContact CB-CB 4.31Å; P42-M897 VanDerWaalsContact CD-CE 3.45Å; P42-M897 HydrophobicContact CG-CB 3.57Å; P42-M897 HydrophobicContact CG-CE 3.69Å; P42-M897 HydrophobicContact CG-CG 3.6Å; P42-M897 HydrophobicContact CG-SD 3.62Å
43S30.3Very low44.2Very low60 Ų6090.4 Ų90.442%0.4251%0.507SS..  trans74.2107.5160.572.70000118.8E894S43-E894 VanDerWaalsContact CA-OE2 3.29Å; S43-E894 WeakPolarHBondContact CA-OE2 3.19Å
44L37Very low45.7Very low151 Ų15190.6 Ų90.679%0.79150%0.5SS*.  trans-160.6123.4176-93.3175.9000110.7E894L44-E894 VanDerWaalsContact C-OE1 3.32Å; L44-E894 VanDerWaalsContact C-OE2 3.29Å; L44-E894 PolarHBondContact N-OE2 3.26Å; L44-E894 VanDerWaalsContact O-CD 3.28Å
45P38.6Very low47.7Very low59 Ų5985.3 Ų85.338%0.38347%0.472SS..PPolyproline II helix-88.8151.6-116.2-20.336.4000117.3Q27 L890 L891 E894Q27-P45 PolarHBondContact NE2-O 2.79Å; P45-L890 CarbonylContact C-O 3.29Å; P45-L890 WeakPolarHBondContact CA-O 3.45Å; P45-L890 HydrophobicContact CB-CB 3.65Å; P45-L890 WeakPolarHBondContact CB-O 3.43Å; P45-L891 HydrophobicContact CB-CD2 4.28Å; P45-L891 HydrophobicContact CG-CD2 4.03Å; P45-E894 WeakPolarHBondContact CA-OE1 3.35Å
46I33.6Very low50Low31 Ų3178 Ų7816%0.15943%0.432CS..PPolyproline II helixtrans-61151179.7-65.6103.9000111.4S48 L890 T893 E894I46-S48 PolarHBondContact O-N 3.47Å; I46-S48 VanDerWaalsContact O-N 3.14Å; I46-L890 VanDerWaalsContact CD1-C 3.4Å; I46-L890 WeakPolarHBondContact CD1-O 3.4Å; I46-L890 PolarHBondContact N-O 2.95Å; I46-L890 WeakPolarHBondContact O-CD2 3.35Å; I46-T893 WeakPolarHBondContact CD1-OG1 3.39Å; I46-E894 HydrophobicContact CD1-CB 3.64Å; I46-E894 VanDerWaalsContact CD1-CD 3.49Å; I46-E894 HydrophobicContact CD1-CG 3.7Å; I46-E894 WeakPolarHBondContact CD1-OE1 3.48Å; I46-E894 HydrophobicContact CG1-CB 4.43Å; I46-E894 HydrophobicContact CG1-CG 4.04Å; I46-E894 WeakPolarHBondContact CG1-OE1 3.29Å; I46-E894 PolarHBondContact N-OE1 2.83Å
47P41.6Very low52.2Low77 Ų7775.3 Ų75.350%0.542%0.415SS..PPolyproline II helixtrans-54120.7171.5-26.736.3000112.1I49P47-I49 PolarHBondContact O-N 3.25Å
48S43.7Very low54.5Low26 Ų2673.8 Ų73.818%0.18240%0.403CS..PPolyproline II helixtrans-58.8135164.6-19.90000108.1I46 W50 L890I46-S48 PolarHBondContact O-N 3.47Å; I46-S48 VanDerWaalsContact O-N 3.14Å; S48-W50 PolarHBondContact O-N 3.43Å; S48-W50 PolarHBondContact O-NE1 3.11Å; S48-W50 VanDerWaalsContact O-NE1 3.17Å; S48-W50 WeakPolarHBondContact OG-CH2 3.47Å; S48-W50 WeakPolarHBondContact OG-CZ2 3.46Å; S48-L890 VanDerWaalsContact CA-CD2 3.48Å; S48-L890 WeakPolarHBondContact OG-CD1 3.31Å
49I50.8Low57Low133 Ų13368.2 Ų68.268%0.68237%0.372SS*.PPolyproline II helixtrans-59.1132.8169.7-45172.5000106.6P47 P881P47-I49 PolarHBondContact O-N 3.25Å; I49-P881 HydrophobicContact CB-CB 3.61Å; I49-P881 HydrophobicContact CB-CG 4.04Å; I49-P881 HydrophobicContact CG2-CB 3.55Å; I49-P881 HydrophobicContact CG2-CG 3.95Å; I49-P881 WeakPolarHBondContact O-CG 3.48Å
50W57.8Low59.6Low59 Ų5964.6 Ų64.622%0.22336%0.357CS..  trans-116.8155.7-175.3-62.4119.8000112.3K19 H20 L23 S48K19-W50 HydrophobicContact CB-CD2 4.06Å; K19-W50 HydrophobicContact CB-CE3 3.72Å; K19-W50 HydrophobicContact CB-CH2 3.58Å; K19-W50 HydrophobicContact CB-CZ2 3.89Å; K19-W50 HydrophobicContact CB-CZ3 3.5Å; K19-W50 VanDerWaalsContact CB-CZ3 3.5Å; K19-W50 HydrophobicContact CD-CE3 4.25Å; K19-W50 HydrophobicContact CD-CH2 3.66Å; K19-W50 HydrophobicContact CD-CZ3 3.38Å; K19-W50 HydrophobicContact CG-CH2 4.26Å; K19-W50 HydrophobicContact CG-CZ3 4.09Å; H20-W50 HydrophobicContact CB-CG 4.3Å; H20-W50 AromaticContact CD2-CD1 3.93Å; L23-W50 HydrophobicContact CD1-CZ2 4.22Å; L23-W50 HydrophobicContact CD2-CZ2 4.22Å; S48-W50 PolarHBondContact O-N 3.43Å; S48-W50 PolarHBondContact O-NE1 3.11Å; S48-W50 VanDerWaalsContact O-NE1 3.17Å; S48-W50 WeakPolarHBondContact OG-CH2 3.47Å; S48-W50 WeakPolarHBondContact OG-CZ2 3.46Å
51P65.3Low62.2Low27 Ų2762.7 Ų62.718%0.17534%0.34CS..  trans-61.2143.3170.3-22.434.4000112.7I15 F17 V879I15-P51 HydrophobicContact CG2-CB 4.18Å; I15-P51 HydrophobicContact CG2-CG 4.41Å; F17-P51 HydrophobicContact CD1-CB 3.67Å; F17-P51 HydrophobicContact CE1-CB 3.87Å; P51-V879 WeakPolarHBondContact CA-O 3.43Å; P51-V879 WeakPolarHBondContact CB-O 3.25Å
52S72.9Confident65.1Low36 Ų3659.1 Ų59.125%0.25232%0.321SS..  trans-121.2145.5178.8-1790000112.6E54 V879S52-E54 VanDerWaalsContact OG-CG 3.32Å; S52-E54 WeakPolarHBondContact OG-CG 3.31Å; S52-E54 PolarHBondContact OG-N 3.33Å; S52-E54 PolarHBondContact OG-OE2 3.32Å; S52-V879 PolarHBondContact N-O 3.14Å
53T80.5Confident67.8Low28 Ų2859.1 Ų59.117%0.17232%0.317CS..  trans-94.4-3.517455.50000113.8F17 I55 L56 P78 E80F17-T53 HydrophobicContact CD1-CG2 3.61Å; F17-T53 HydrophobicContact CD2-CG2 4.22Å; F17-T53 HydrophobicContact CE1-CG2 3.71Å; F17-T53 HydrophobicContact CE2-CG2 4.31Å; F17-T53 HydrophobicContact CG-CG2 3.9Å; F17-T53 HydrophobicContact CZ-CG2 4.07Å; T53-I55 VanDerWaalsContact C-N 3.29Å; T53-I55 PolarHBondContact O-N 2.75Å; T53-L56 HydrophobicContact CG2-CD1 4.49Å; T53-L56 VanDerWaalsContact O-CB 3.28Å; T53-L56 WeakPolarHBondContact O-CB 3.35Å; T53-L56 VanDerWaalsContact O-CG 3.31Å; T53-L56 WeakPolarHBondContact O-CG 3.37Å; T53-L56 PolarHBondContact O-N 3.07Å; T53-P78 HydrophobicContact CG2-CB 4.4Å; T53-P78 HydrophobicContact CG2-CG 4.15Å; T53-E80 PolarHBondContact OG1-OE2 3.23Å
54E81.1Confident70.8Confident112 Ų11258.5 Ų58.552%0.52331%0.305SS..G310 helixtrans-58.4-36.5-168.3-71.4163.8133.700113.5S52 L56 Q57S52-E54 VanDerWaalsContact OG-CG 3.32Å; S52-E54 WeakPolarHBondContact OG-CG 3.31Å; S52-E54 PolarHBondContact OG-N 3.33Å; S52-E54 PolarHBondContact OG-OE2 3.32Å; E54-L56 PolarHBondContact O-N 2.96Å; E54-Q57 WeakPolarHBondContact O-CG 3.2Å; E54-Q57 PolarHBondContact O-N 3.09Å
55I80.5Confident73.6Confident36 Ų3651.4 Ų51.419%0.18527%0.268CS..G310 helixtrans-63.1-14.2179.1-157.4167.9000114T53 Q57 D58 M59 Q875 V879T53-I55 VanDerWaalsContact C-N 3.29Å; T53-I55 PolarHBondContact O-N 2.75Å; I55-Q57 PolarHBondContact O-N 2.88Å; I55-D58 PolarHBondContact O-N 3.1Å; I55-M59 HydrophobicContact CG1-CE 4.34Å; I55-M59 HydrophobicContact CG2-CE 4.05Å; I55-Q875 HydrophobicContact CD1-CB 4.11Å; I55-V879 HydrophobicContact CG2-CG2 3.78Å
56L87.5Confident76.2Confident3 Ų350.9 Ų50.92%0.01626%0.26CS..G310 helixtrans-63.7-24.1175.2-67.4179.4000112.5L10 L12 T53 E54 D58 M59 E80L10-L56 HydrophobicContact CD2-CD2 3.71Å; L12-L56 HydrophobicContact CD1-CD2 4.32Å; T53-L56 HydrophobicContact CG2-CD1 4.49Å; T53-L56 VanDerWaalsContact O-CB 3.28Å; T53-L56 WeakPolarHBondContact O-CB 3.35Å; T53-L56 VanDerWaalsContact O-CG 3.31Å; T53-L56 WeakPolarHBondContact O-CG 3.37Å; T53-L56 PolarHBondContact O-N 3.07Å; E54-L56 PolarHBondContact O-N 2.96Å; L56-D58 PolarHBondContact O-N 3.18Å; L56-M59 HydrophobicContact CD2-SD 3.93Å; L56-M59 PolarHBondContact O-N 2.99Å; L56-E80 HydrophobicContact CB-CB 3.83Å; L56-E80 HydrophobicContact CB-CG 4.45Å
57Q87.2Confident79Confident96 Ų9649.5 Ų49.545%0.44925%0.253SS..G310 helixtrans-64.6-29176.877.3-163.7-8.800112.4E54 I55 M59 E80E54-Q57 WeakPolarHBondContact O-CG 3.2Å; E54-Q57 PolarHBondContact O-N 3.09Å; I55-Q57 PolarHBondContact O-N 2.88Å; Q57-M59 VanDerWaalsContact C-N 3.32Å; Q57-E80 HydrophobicContact CB-CG 4.41Å
58D84.7Confident81.3Confident83 Ų8349.9 Ų49.944%0.44424%0.244SC..G310 helixtrans-82.9-10.9-178.7-56.7-42.2000112.5V4 I55 L56 C60V4-D58 HydrophobicContact CG1-CB 4.47Å; I55-D58 PolarHBondContact O-N 3.1Å; L56-D58 PolarHBondContact O-N 3.18Å; D58-C60 VanDerWaalsContact C-N 3.3Å; D58-C60 PolarHBondContact O-N 3.28Å
59M89Confident83.4Confident17 Ų1752.9 Ų52.98%0.08426%0.258CS..  trans-93.139.8-176.6-61.6179.3-17800112.4V4 L7 L10 I55 L56 Q57 R61 L62V4-M59 HydrophobicContact CG1-CE 3.97Å; V4-M59 HydrophobicContact CG1-CG 3.62Å; L7-M59 HydrophobicContact CD2-CE 4.22Å; L7-M59 HydrophobicContact CD2-CG 4.36Å; L7-M59 HydrophobicContact CD2-SD 3.76Å; L10-M59 HydrophobicContact CD2-CE 4.43Å; L10-M59 HydrophobicContact CD2-SD 3.72Å; I55-M59 HydrophobicContact CG1-CE 4.34Å; I55-M59 HydrophobicContact CG2-CE 4.05Å; L56-M59 HydrophobicContact CD2-SD 3.93Å; L56-M59 PolarHBondContact O-N 2.99Å; Q57-M59 VanDerWaalsContact C-N 3.32Å; M59-R61 PolarHBondContact O-N 3.18Å; M59-L62 WeakPolarHBondContact O-CB 3.15Å; M59-L62 PolarHBondContact O-N 3.18Å; M59-L62 VanDerWaalsContact O-N 3.08Å
60C87.4Confident85.1Confident65 Ų6546.5 Ų46.544%0.43923%0.226SC..THydrogen-bonded Turntrans-60-7.3-167.966.60000116.7D58D58-C60 VanDerWaalsContact C-N 3.3Å; D58-C60 PolarHBondContact O-N 3.28Å
61R89.8Confident86.3Confident100 Ų10044.1 Ų44.138%0.37722%0.219SC..THydrogen-bonded Turntrans-98.32.4177.8-64.3-162-178.9166.7-2.4114.5Q5 R8 M59 Q63Q5-R61 WeakPolarHBondContact O-CD 3.28Å; Q5-R61 WeakPolarHBondContact O-CG 3.46Å; R8-R61 WeakPolarHBondContact CD-O 3.26Å; R8-R61 PolarHBondContact NH1-O 3Å; M59-R61 PolarHBondContact O-N 3.18Å; R61-Q63 PolarHBondContact O-N 3.11Å
62L91.8Very high87.4Confident0 Ų043.5 Ų43.50%021%0.214CC..  trans-60.4132.5-176-145.276.9000112.9L7 L10 M59 L65 L84 Q86L7-L62 HydrophobicContact CD2-CD1 4.16Å; L7-L62 HydrophobicContact CG-CD1 4.21Å; L10-L62 HydrophobicContact CB-CD1 3.96Å; L10-L62 HydrophobicContact CB-CD2 4.26Å; M59-L62 WeakPolarHBondContact O-CB 3.15Å; M59-L62 PolarHBondContact O-N 3.18Å; M59-L62 VanDerWaalsContact O-N 3.08Å; L62-L65 HydrophobicContact CD2-CB 3.9Å; L62-L65 HydrophobicContact CD2-CD1 3.88Å; L62-L65 HydrophobicContact CD2-CG 4.29Å; L62-L84 HydrophobicContact CB-CD2 4.07Å; L62-L84 HydrophobicContact CD2-CD1 4.17Å; L62-Q86 CarbonylContact O-C 3.58Å
63Q93.3Very high88Confident42 Ų4244.5 Ų44.520%0.19621%0.214CC..  trans-108.1-26.4-179.8-71.1-176.4-22.200113.3R8 R61 E88R8-Q63 PolarHBondContact O-N 3.48Å; R61-Q63 PolarHBondContact O-N 3.11Å; Q63-E88 PolarHBondContact O-N 2.99Å
64W93.5Very high88.2Confident47 Ų4748.2 Ų48.218%0.17823%0.23CC..EExtended strand (participates in β ladder)trans-138.8138.8175.560.4-94.7000111G9 L10 D11 K66 E823G9-W64 VanDerWaalsContact CA-CZ2 3.45Å; L10-W64 VanDerWaalsContact C-CZ3 3.42Å; L10-W64 VanDerWaalsContact O-CZ3 3.28Å; L10-W64 WeakPolarHBondContact O-CZ3 3.48Å; D11-W64 HydrophobicContact CB-CZ3 4.21Å; W64-K66 HydrophobicContact CE3-CD 4.32Å; W64-K66 HydrophobicContact CE3-CG 4.35Å; W64-K66 HydrophobicContact CZ3-CD 3.96Å; W64-K66 HydrophobicContact CZ3-CG 4.42Å; W64-E823 PolarHBondContact NE1-OE1 3.23Å
65L94.7Very high88.4Confident2 Ų248 Ų481%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-137.6127.7-179.2-178.660000110.7L62 L67 I81 L84 L87 S89 S91L62-L65 HydrophobicContact CD2-CB 3.9Å; L62-L65 HydrophobicContact CD2-CD1 3.88Å; L62-L65 HydrophobicContact CD2-CG 4.29Å; L65-L67 HydrophobicContact CD1-CD2 4.21Å; L65-L67 HydrophobicContact CD1-CG 4.37Å; L65-L67 HydrophobicContact CD2-CD1 4.06Å; L65-L67 HydrophobicContact CD2-CG 4.17Å; L65-L67 HydrophobicContact CG-CD1 4.46Å; L65-L67 HydrophobicContact CG-CD2 4.4Å; L65-L67 HydrophobicContact CG-CG 4.03Å; L65-I81 HydrophobicContact CD2-CD1 4.34Å; L65-I81 HydrophobicContact CD2-CG1 4.17Å; L65-L84 HydrophobicContact CD2-CD1 3.91Å; L65-L87 HydrophobicContact CB-CD1 3.73Å; L65-S89 PolarHBondContact N-O 3.33Å; L65-S91 PolarHBondContact O-N 2.99Å
66K93.5Very high88.4Confident49 Ų4951.3 Ų51.321%0.21324%0.24CC..EExtended strand (participates in β ladder)trans-112.7113175.7-64.4163.7176.3174.20109.8L10 D11 L12 W64 R68L10-K66 PolarHBondContact O-N 3.26Å; D11-K66 HydrophobicContact CB-CD 4.03Å; D11-K66 VanDerWaalsContact OD1-CB 3.31Å; D11-K66 WeakPolarHBondContact OD1-CB 3.35Å; D11-K66 WeakPolarHBondContact OD1-CD 3.38Å; D11-K66 WeakPolarHBondContact OD2-CD 3.34Å; D11-K66 WeakPolarHBondContact OD2-CE 3.49Å; D11-K66 IonicContact OD2-NZ 3.78Å; D11-K66 PolarHBondContact OD2-NZ 2.87Å; L12-K66 PolarHBondContact N-O 3.27Å; W64-K66 HydrophobicContact CE3-CD 4.32Å; W64-K66 HydrophobicContact CE3-CG 4.35Å; W64-K66 HydrophobicContact CZ3-CD 3.96Å; W64-K66 HydrophobicContact CZ3-CG 4.42Å; K66-R68 HydrophobicContact CB-CG 4.39Å
67L92.1Very high88.4Confident2 Ų252 Ų521%0.0124%0.244CC..  trans-115.557.8174.7-65.5-179.1000108.9L12 L65 V70 L72 P78 I81 S91 L92 N95L12-L67 HydrophobicContact CB-CD2 4.23Å; L12-L67 HydrophobicContact CD1-CD2 4.04Å; L65-L67 HydrophobicContact CD1-CD2 4.21Å; L65-L67 HydrophobicContact CD1-CG 4.37Å; L65-L67 HydrophobicContact CD2-CD1 4.06Å; L65-L67 HydrophobicContact CD2-CG 4.17Å; L65-L67 HydrophobicContact CG-CD1 4.46Å; L65-L67 HydrophobicContact CG-CD2 4.4Å; L65-L67 HydrophobicContact CG-CG 4.03Å; L67-V70 HydrophobicContact CB-CG1 4.46Å; L67-V70 HydrophobicContact CB-CG2 3.85Å; L67-V70 HydrophobicContact CD2-CG2 4.4Å; L67-L72 HydrophobicContact CD1-CD1 4.43Å; L67-P78 HydrophobicContact CD1-CG 4.37Å; L67-I81 HydrophobicContact CD1-CD1 3.76Å; L67-S91 CarbonylContact C-O 3.6Å; L67-S91 PolarHBondContact N-O 3.17Å; L67-L92 HydrophobicContact CB-CD2 4.25Å; L67-L92 HydrophobicContact CD1-CD2 4.49Å; L67-N95 PolarHBondContact O-ND2 2.81Å
68R89.6Confident88.3Confident85 Ų8548.2 Ų48.232%0.32123%0.228SC..THydrogen-bonded Turntrans-90.2127.3-175.9-53.2171.9170.2170.9-6109.8S13 G14 K66 V70 S91 V93S13-R68 CarbonylContact C-O 3.52Å; S13-R68 VanDerWaalsContact CA-O 3.27Å; S13-R68 WeakPolarHBondContact CA-O 3.41Å; S13-R68 WeakPolarHBondContact OG-CB 2.95Å; G14-R68 PolarHBondContact N-O 3.46Å; K66-R68 HydrophobicContact CB-CG 4.39Å; R68-V70 VanDerWaalsContact C-N 3.32Å; R68-V70 WeakPolarHBondContact O-CG1 3.33Å; R68-V70 PolarHBondContact O-N 3.31Å; R68-S91 PolarHBondContact NE-OG 2.95Å; R68-S91 VanDerWaalsContact NE-OG 3.15Å; R68-V93 CarbonylContact C-O 3.56Å; R68-V93 WeakPolarHBondContact CA-O 3.36Å; R68-V93 HydrophobicContact CG-CB 4.29Å
69N88.7Confident88.3Confident88 Ų8851.3 Ų51.347%0.47124%0.237SC..THydrogen-bonded Turntrans55.843.2179-155.9109.4000113.3G14 V93 R94G14-N69 CarbonylContact C-O 3.45Å; G14-N69 VanDerWaalsContact CA-O 3.27Å; G14-N69 WeakPolarHBondContact CA-O 3.28Å; N69-V93 PolarHBondContact N-O 3.3Å; N69-R94 WeakPolarHBondContact CA-O 3.25Å; N69-R94 HydrophobicContact CB-CB 4.09Å; N69-R94 PolarHBondContact N-O 3.17Å
70V86.3Confident88.3Confident0 Ų050.9 Ų50.90%024%0.235CC..SBendtrans-104.13.1-178.1-52.10000113.9L12 I15 N16 F17 L67 R68 L72 N95L12-V70 WeakPolarHBondContact O-CG1 3.26Å; I15-V70 CarbonylContact O-C 3.58Å; I15-V70 WeakPolarHBondContact O-CA 3.33Å; I15-V70 WeakPolarHBondContact O-CB 3.43Å; N16-V70 WeakPolarHBondContact CA-O 3.42Å; F17-V70 HydrophobicContact CD2-CB 3.98Å; F17-V70 HydrophobicContact CD2-CG2 4.37Å; F17-V70 HydrophobicContact CE2-CB 4.11Å; F17-V70 HydrophobicContact CE2-CG1 4.47Å; F17-V70 PolarHBondContact N-O 3.5Å; F17-V70 VanDerWaalsContact N-O 3.17Å; L67-V70 HydrophobicContact CB-CG1 4.46Å; L67-V70 HydrophobicContact CB-CG2 3.85Å; L67-V70 HydrophobicContact CD2-CG2 4.4Å; R68-V70 VanDerWaalsContact C-N 3.32Å; R68-V70 WeakPolarHBondContact O-CG1 3.33Å; R68-V70 PolarHBondContact O-N 3.31Å; V70-L72 HydrophobicContact CG2-CD1 4.08Å; V70-L72 HydrophobicContact CG2-CD2 4.08Å; V70-L72 HydrophobicContact CG2-CG 3.71Å; V70-N95 PolarHBondContact N-OD1 3.45Å
71G82.9Confident88.5Confident9 Ų947.9 Ų47.99%0.09321%0.214CC..  trans88.320.5170.300000115.5E18 K73 N95E18-G71 VanDerWaalsContact CB-O 3.27Å; E18-G71 WeakPolarHBondContact CB-O 3.3Å; G71-K73 PolarHBondContact O-N 3.22Å; G71-N95 PolarHBondContact N-OD1 3.08Å; G71-N95 VanDerWaalsContact N-OD1 3.17Å
72L87.6Confident88.5Confident13 Ų1346.1 Ų46.17%0.06822%0.215CC..  trans-70.4114.4179.3-53177.7000111.2L67 V70 L77 P78 L92 N95 E96 L97L67-L72 HydrophobicContact CD1-CD1 4.43Å; V70-L72 HydrophobicContact CG2-CD1 4.08Å; V70-L72 HydrophobicContact CG2-CD2 4.08Å; V70-L72 HydrophobicContact CG2-CG 3.71Å; L72-L77 HydrophobicContact CD1-CD2 3.95Å; L72-P78 HydrophobicContact CD2-CG 4.37Å; L72-L92 HydrophobicContact CD1-CD2 4.24Å; L72-N95 HydrophobicContact CB-CB 4.13Å; L72-N95 PolarHBondContact N-OD1 3.12Å; L72-E96 CarbonylContact O-C 3.42Å; L72-E96 VanDerWaalsContact O-C 3.29Å; L72-E96 WeakPolarHBondContact O-CA 3.47Å; L72-E96 PolarHBondContact O-N 3.19Å; L72-L97 HydrophobicContact CB-CD2 3.85Å; L72-L97 HydrophobicContact CB-CG 4.18Å; L72-L97 PolarHBondContact O-N 2.89Å
73K86.3Confident88.4Confident58 Ų5850.9 Ų50.925%0.25224%0.237SC..EExtended strand (participates in β ladder)trans-98.6165.8175.4-62-167.2-168.492.20113.8E18 D22 G71 K75 F76 E96E18-K73 VanDerWaalsContact OE1-CB 3.29Å; E18-K73 WeakPolarHBondContact OE1-CB 3.46Å; E18-K73 PolarHBondContact OE1-N 3.39Å; E18-K73 VanDerWaalsContact OE2-CD 3.32Å; E18-K73 WeakPolarHBondContact OE2-CD 3.39Å; E18-K73 WeakPolarHBondContact OE2-CE 3.32Å; E18-K73 WeakPolarHBondContact OE2-CG 3.31Å; E18-K73 IonicContact OE2-NZ 2.76Å; E18-K73 PolarHBondContact OE2-NZ 2.63Å; D22-K73 IonicContact OD2-NZ 2.63Å; G71-K73 PolarHBondContact O-N 3.22Å; K73-K75 PolarHBondContact O-N 3.28Å; K73-F76 PolarHBondContact O-N 3.04Å; K73-E96 WeakPolarHBondContact CA-O 3.2Å; K73-E96 HydrophobicContact CB-CB 4.28Å; K73-E96 WeakPolarHBondContact CD-OE2 3.45Å; K73-E96 WeakPolarHBondContact CE-OE2 3.42Å; K73-E96 HydrophobicContact CG-CB 3.74Å; K73-E96 HydrophobicContact CG-CG 4.46Å
74E84.9Confident88.4Confident105 Ų10548.9 Ų48.949%0.49123%0.227SC..EExtended strand (participates in β ladder)trans55.1-103.6170-59.8178.2-166.400112.8F76 E96 L97 T98 S99E74-F76 HydrophobicContact CB-CD2 4.27Å; E74-F76 WeakPolarHBondContact OE2-CE2 3.29Å; E74-E96 PolarHBondContact N-O 2.78Å; E74-E96 VanDerWaalsContact N-O 3.11Å; E74-L97 CarbonylContact O-C 3.32Å; E74-T98 WeakPolarHBondContact CA-OG1 3.4Å; E74-T98 PolarHBondContact O-N 3.5Å; E74-T98 PolarHBondContact O-OG1 3.04Å; E74-S99 PolarHBondContact O-N 3.35Å; E74-S99 VanDerWaalsContact O-N 3.07Å
75K84.2Confident88.3Confident108 Ų10852.8 Ų52.847%0.4725%0.248SC..THydrogen-bonded Turntrans-124.12.5-179.7-68.8174.1179.8175.10111.9K73 L77 S99 S102K73-K75 PolarHBondContact O-N 3.28Å; K75-L77 PolarHBondContact O-N 3.06Å; K75-L77 VanDerWaalsContact O-N 3.14Å; K75-S99 WeakPolarHBondContact CA-O 3.39Å; K75-S102 WeakPolarHBondContact O-CB 3.35Å; K75-S102 PolarHBondContact O-OG 3.13Å
76F81.8Confident88.2Confident105 Ų10557 Ų5746%0.46127%0.268SS..  trans-79.6104.4-169-70.7-78.1000110.9K73 E74K73-F76 PolarHBondContact O-N 3.04Å; E74-F76 HydrophobicContact CB-CD2 4.27Å; E74-F76 WeakPolarHBondContact OE2-CE2 3.29Å
77L86.3Confident88.3Confident19 Ų1954.7 Ų54.710%0.09926%0.257CS..  trans-102.5141.5161.7-59.9179.2000107.7L72 K75 K79 L92 L97 L100 I103L72-L77 HydrophobicContact CD1-CD2 3.95Å; K75-L77 PolarHBondContact O-N 3.06Å; K75-L77 VanDerWaalsContact O-N 3.14Å; L77-K79 PolarHBondContact O-N 3.22Å; L77-L92 HydrophobicContact CD2-CD1 4.02Å; L77-L92 HydrophobicContact CD2-CD2 4.04Å; L77-L97 HydrophobicContact CD2-CD1 3.9Å; L77-L97 HydrophobicContact CD2-CD2 4Å; L77-L100 HydrophobicContact CD1-CD2 4.5Å; L77-I103 HydrophobicContact CD1-CD1 3.76Å; L77-I103 HydrophobicContact CD1-CG1 4.13Å
78P85.5Confident88.4Confident16 Ų1657.8 Ų57.810%0.10427%0.272CS..  trans-54.1126.7176.9-26.133000111.8T53 L67 L72 E80 I81T53-P78 HydrophobicContact CG2-CB 4.4Å; T53-P78 HydrophobicContact CG2-CG 4.15Å; L67-P78 HydrophobicContact CD1-CG 4.37Å; L72-P78 HydrophobicContact CD2-CG 4.37Å; P78-E80 VanDerWaalsContact CB-OE2 3.29Å; P78-E80 WeakPolarHBondContact CB-OE2 3.41Å; P78-E80 PolarHBondContact O-N 2.95Å; P78-E80 VanDerWaalsContact O-N 3.17Å; P78-I81 HydrophobicContact CB-CD1 4.16Å; P78-I81 HydrophobicContact CB-CG1 4.23Å; P78-I81 HydrophobicContact CG-CD1 4.16Å; P78-I81 WeakPolarHBondContact O-CB 3.41Å; P78-I81 WeakPolarHBondContact O-CG1 3.43Å; P78-I81 PolarHBondContact O-N 3.2Å
79K86.1Confident88.7Confident148 Ų14855.2 Ų55.264%0.64327%0.267SS*.G310 helixtrans-60.8-26.2-178.962.7175.3-178.2174.90111.5L77 I81 T82L77-K79 PolarHBondContact O-N 3.22Å; K79-I81 PolarHBondContact O-N 3.13Å; K79-T82 PolarHBondContact O-N 2.95Å; K79-T82 PolarHBondContact O-OG1 2.91Å
80E88.7Confident89Confident8 Ų851.1 Ų51.14%0.03725%0.245CC..G310 helixtrans-60.1-29.7-179.2-62.669.9-148.100111.5T53 L56 Q57 P78 T82 H83T53-E80 PolarHBondContact OG1-OE2 3.23Å; L56-E80 HydrophobicContact CB-CB 3.83Å; L56-E80 HydrophobicContact CB-CG 4.45Å; Q57-E80 HydrophobicContact CB-CG 4.41Å; P78-E80 VanDerWaalsContact CB-OE2 3.29Å; P78-E80 WeakPolarHBondContact CB-OE2 3.41Å; P78-E80 PolarHBondContact O-N 2.95Å; P78-E80 VanDerWaalsContact O-N 3.17Å; E80-T82 PolarHBondContact O-N 2.77Å; E80-T82 VanDerWaalsContact O-N 3.12Å; E80-H83 PolarHBondContact O-N 3.29Å; E80-H83 VanDerWaalsContact O-N 3.1Å; E80-H83 PolarHBondContact O-ND1 2.84Å
81I90.6Very high89.5Confident1 Ų151.3 Ų51.31%0.00525%0.246CC..G310 helixtrans-58.6-26.4179.4-63.5172.1000112.3L65 L67 P78 K79 H83 L84L65-I81 HydrophobicContact CD2-CD1 4.34Å; L65-I81 HydrophobicContact CD2-CG1 4.17Å; L67-I81 HydrophobicContact CD1-CD1 3.76Å; P78-I81 HydrophobicContact CB-CD1 4.16Å; P78-I81 HydrophobicContact CB-CG1 4.23Å; P78-I81 HydrophobicContact CG-CD1 4.16Å; P78-I81 WeakPolarHBondContact O-CB 3.41Å; P78-I81 WeakPolarHBondContact O-CG1 3.43Å; P78-I81 PolarHBondContact O-N 3.2Å; K79-I81 PolarHBondContact O-N 3.13Å; I81-H83 PolarHBondContact O-N 3.19Å; I81-H83 VanDerWaalsContact O-N 3.08Å; I81-L84 WeakPolarHBondContact O-CB 3.22Å; I81-L84 PolarHBondContact O-N 3.15Å
82T89.8Confident90Very high63 Ų6350.9 Ų50.939%0.38724%0.242SC..G310 helixtrans-67.3-10.2179.566.10000113.9K79 E80 V109K79-T82 PolarHBondContact O-N 2.95Å; K79-T82 PolarHBondContact O-OG1 2.91Å; E80-T82 PolarHBondContact O-N 2.77Å; E80-T82 VanDerWaalsContact O-N 3.12Å; T82-V109 HydrophobicContact CG2-CG1 4.1Å
83H89.9Confident90.3Very high100 Ų10051.3 Ų51.346%0.46325%0.245SC..G310 helixtrans-88.8-12174.1-51.987.6000112.5E80 I81 Q85E80-H83 PolarHBondContact O-N 3.29Å; E80-H83 VanDerWaalsContact O-N 3.1Å; E80-H83 PolarHBondContact O-ND1 2.84Å; I81-H83 PolarHBondContact O-N 3.19Å; I81-H83 VanDerWaalsContact O-N 3.08Å; H83-Q85 VanDerWaalsContact C-N 3.28Å; H83-Q85 PolarHBondContact O-N 2.74Å
84L92.6Very high90.5Very high0 Ų055.5 Ų55.50%026%0.259CS..  trans-86.855.7-173.9-53.6-178.3000112.2L62 L65 I81 Q86 L87L62-L84 HydrophobicContact CB-CD2 4.07Å; L62-L84 HydrophobicContact CD2-CD1 4.17Å; L65-L84 HydrophobicContact CD2-CD1 3.91Å; I81-L84 WeakPolarHBondContact O-CB 3.22Å; I81-L84 PolarHBondContact O-N 3.15Å; L84-Q86 PolarHBondContact O-N 3.23Å; L84-L87 HydrophobicContact CB-CB 4.29Å; L84-L87 WeakPolarHBondContact O-CB 3.21Å; L84-L87 PolarHBondContact O-N 3.11Å
85Q92Very high90.8Very high129 Ų12951 Ų5160%0.60324%0.239SC*.THydrogen-bonded Turntrans-60.9-16-174-64.6-179.2-6.900114.8H83H83-Q85 VanDerWaalsContact C-N 3.28Å; H83-Q85 PolarHBondContact O-N 2.74Å
86Q92.8Very high91.1Very high92 Ų9250 Ų5043%0.4324%0.236SC..THydrogen-bonded Turntrans-94.66.4178-58.5-165.62.100113.9L62 L84 E88L62-Q86 CarbonylContact O-C 3.58Å; L84-Q86 PolarHBondContact O-N 3.23Å; Q86-E88 PolarHBondContact O-N 2.96Å
87L94.8Very high91.6Very high0 Ų045 Ų450%021%0.214CC..  trans-71.1113.8-178.6-171.773.8000112L65 L84 S89 L90 L110L65-L87 HydrophobicContact CB-CD1 3.73Å; L84-L87 HydrophobicContact CB-CB 4.29Å; L84-L87 WeakPolarHBondContact O-CB 3.21Å; L84-L87 PolarHBondContact O-N 3.11Å; L87-S89 WeakPolarHBondContact CD1-O 3.42Å; L87-L90 HydrophobicContact CD2-CB 4.21Å; L87-L90 HydrophobicContact CD2-CD1 4.28Å; L87-L110 HydrophobicContact CB-CD2 4.22Å; L87-L110 HydrophobicContact CD2-CD1 4.47Å; L87-L110 HydrophobicContact CD2-CD2 4.09Å
88E95.3Very high91.8Very high66 Ų6646.2 Ų46.231%0.30822%0.222SC..  trans-91-24.1177.1-59-165.413200113.1Q63 Q86 R114Q63-E88 PolarHBondContact O-N 2.99Å; Q86-E88 PolarHBondContact O-N 2.96Å; E88-R114 PolarHBondContact O-N 3.33Å; E88-R114 IonicContact OE1-CZ 2.8Å; E88-R114 IonicContact OE1-NE 2.69Å; E88-R114 IonicContact OE1-NH2 3.27Å; E88-R114 PolarHBondContact OE1-NH2 3.25Å
89S95.6Very high92.1Very high32 Ų3245.7 Ų45.722%0.22422%0.219CC..EExtended strand (participates in β ladder)trans-142.7122.2-167.2174.90000111.5L65 L87 M115L65-S89 PolarHBondContact N-O 3.33Å; L87-S89 WeakPolarHBondContact CD1-O 3.42Å; S89-M115 WeakPolarHBondContact OG-CE 3.42Å
90L96Very high92.4Very high1 Ų138.7 Ų38.71%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-123.8127.7179.8-179.959.8000111L87 L92 W106 L113 T117L87-L90 HydrophobicContact CD2-CB 4.21Å; L87-L90 HydrophobicContact CD2-CD1 4.28Å; L90-L92 HydrophobicContact CD1-CD2 4.06Å; L90-L92 HydrophobicContact CD1-CG 4.39Å; L90-L92 HydrophobicContact CD2-CD1 4.2Å; L90-L92 HydrophobicContact CD2-CG 4.37Å; L90-L92 HydrophobicContact CG-CD1 4.43Å; L90-L92 HydrophobicContact CG-CD2 4.28Å; L90-L92 HydrophobicContact CG-CG 4.08Å; L90-W106 HydrophobicContact CD2-CH2 4.35Å; L90-W106 HydrophobicContact CD2-CZ3 4.3Å; L90-L113 HydrophobicContact CB-CD1 4.3Å; L90-T117 PolarHBondContact O-N 3.11Å; L90-T117 PolarHBondContact O-OG1 3.3Å
91S95.2Very high92.4Very high4 Ų440.3 Ų40.33%0.02820%0.2CC..EExtended strand (participates in β ladder)trans-121.5112.3179.3-157.70000111.9L65 L67 R68 T117L65-S91 PolarHBondContact O-N 2.99Å; L67-S91 CarbonylContact C-O 3.6Å; L67-S91 PolarHBondContact N-O 3.17Å; R68-S91 PolarHBondContact NE-OG 2.95Å; R68-S91 VanDerWaalsContact NE-OG 3.15Å; S91-T117 WeakPolarHBondContact CA-OG1 3.33Å; S91-T117 WeakPolarHBondContact CB-OG1 3.48Å; S91-T117 PolarHBondContact OG-OG1 3.38Å
92L94.8Very high92.1Very high0 Ų043 Ų430%022%0.219CC..  trans-113.426.6-177.1-59.1174.6000111.5L67 L72 L77 L90 N95 L97 L100 T117 N121L67-L92 HydrophobicContact CB-CD2 4.25Å; L67-L92 HydrophobicContact CD1-CD2 4.49Å; L72-L92 HydrophobicContact CD1-CD2 4.24Å; L77-L92 HydrophobicContact CD2-CD1 4.02Å; L77-L92 HydrophobicContact CD2-CD2 4.04Å; L90-L92 HydrophobicContact CD1-CD2 4.06Å; L90-L92 HydrophobicContact CD1-CG 4.39Å; L90-L92 HydrophobicContact CD2-CD1 4.2Å; L90-L92 HydrophobicContact CD2-CG 4.37Å; L90-L92 HydrophobicContact CG-CD1 4.43Å; L90-L92 HydrophobicContact CG-CD2 4.28Å; L90-L92 HydrophobicContact CG-CG 4.08Å; L92-N95 VanDerWaalsContact C-ND2 3.26Å; L92-N95 PolarHBondContact O-ND2 3.27Å; L92-L97 HydrophobicContact CB-CD1 4.09Å; L92-L97 HydrophobicContact CD1-CD1 4.06Å; L92-L97 HydrophobicContact CG-CD1 4.5Å; L92-L100 HydrophobicContact CD1-CD2 3.77Å; L92-T117 PolarHBondContact N-O 3.1Å; L92-N121 PolarHBondContact O-ND2 3.38Å
93V92.8Very high91.9Very high23 Ų2340.7 Ų40.714%0.13920%0.204CC..THydrogen-bonded Turntrans-72.5136-168.9172.40000111.9R68 N69 R119R68-V93 CarbonylContact C-O 3.56Å; R68-V93 WeakPolarHBondContact CA-O 3.36Å; R68-V93 HydrophobicContact CG-CB 4.29Å; N69-V93 PolarHBondContact N-O 3.3Å; V93-R119 VanDerWaalsContact CA-O 3.29Å; V93-R119 WeakPolarHBondContact CA-O 3.43Å; V93-R119 HydrophobicContact CG1-CB 4.45Å; V93-R119 HydrophobicContact CG2-CB 4.31Å
94R91Very high91.7Very high146 Ų14644.3 Ų44.355%0.55122%0.219SC*.THydrogen-bonded Turntrans63.647.4-176.5-57.5173.7-162.6-1737.1114.2N69 R119 K120N69-R94 WeakPolarHBondContact CA-O 3.25Å; N69-R94 HydrophobicContact CB-CB 4.09Å; N69-R94 PolarHBondContact N-O 3.17Å; R94-R119 PolarHBondContact N-O 3.19Å; R94-K120 CarbonylContact C-O 3.15Å; R94-K120 WeakPolarHBondContact CA-O 3.49Å; R94-K120 HydrophobicContact CB-CB 4.44Å; R94-K120 HydrophobicContact CG-CB 3.92Å; R94-K120 HydrophobicContact CG-CD 3.88Å; R94-K120 HydrophobicContact CG-CG 4.5Å; R94-K120 PolarHBondContact N-O 2.98Å; R94-K120 VanDerWaalsContact N-O 3.16Å
95N91.4Very high91.5Very high10 Ų1045.4 Ų45.45%0.05323%0.229CC..SBendtrans-112.9-170.2166.8-63.1-75.2000109.9L67 V70 G71 L72 L92 L97 K120 N121L67-N95 PolarHBondContact O-ND2 2.81Å; V70-N95 PolarHBondContact N-OD1 3.45Å; G71-N95 PolarHBondContact N-OD1 3.08Å; G71-N95 VanDerWaalsContact N-OD1 3.17Å; L72-N95 HydrophobicContact CB-CB 4.13Å; L72-N95 PolarHBondContact N-OD1 3.12Å; L92-N95 VanDerWaalsContact C-ND2 3.26Å; L92-N95 PolarHBondContact O-ND2 3.27Å; N95-L97 HydrophobicContact CB-CD1 4.42Å; N95-L97 HydrophobicContact CB-CG 4.23Å; N95-K120 PolarHBondContact N-O 3.34Å; N95-N121 WeakPolarHBondContact CA-OD1 3.4Å; N95-N121 VanDerWaalsContact CB-OD1 3.3Å; N95-N121 WeakPolarHBondContact CB-OD1 3.44Å; N95-N121 PolarHBondContact N-OD1 3.11Å; N95-N121 WeakPolarHBondContact O-CA 3.35Å; N95-N121 PolarHBondContact O-OD1 2.8Å; N95-N121 VanDerWaalsContact O-OD1 3.11Å
96E90.8Very high91.6Very high87 Ų8739.2 Ų39.241%0.40720%0.201SC..EExtended strand (participates in β ladder)trans-112.631.8-176.7-72.9168.4-118.900110.2L72 K73 E74 T98L72-E96 CarbonylContact O-C 3.42Å; L72-E96 VanDerWaalsContact O-C 3.29Å; L72-E96 WeakPolarHBondContact O-CA 3.47Å; L72-E96 PolarHBondContact O-N 3.19Å; K73-E96 WeakPolarHBondContact CA-O 3.2Å; K73-E96 HydrophobicContact CB-CB 4.28Å; K73-E96 WeakPolarHBondContact CD-OE2 3.45Å; K73-E96 WeakPolarHBondContact CE-OE2 3.42Å; K73-E96 HydrophobicContact CG-CB 3.74Å; K73-E96 HydrophobicContact CG-CG 4.46Å; E74-E96 PolarHBondContact N-O 2.78Å; E74-E96 VanDerWaalsContact N-O 3.11Å; E96-T98 PolarHBondContact O-N 3.32Å
97L91.7Very high91.5Very high0 Ų036.9 Ų36.90%019%0.194CC..EExtended strand (participates in β ladder)trans-73.6118.3-176.6-66.5168.4000110.5L72 E74 L77 L92 N95 L100 N121 E122 L123L72-L97 HydrophobicContact CB-CD2 3.85Å; L72-L97 HydrophobicContact CB-CG 4.18Å; L72-L97 PolarHBondContact O-N 2.89Å; E74-L97 CarbonylContact O-C 3.32Å; L77-L97 HydrophobicContact CD2-CD1 3.9Å; L77-L97 HydrophobicContact CD2-CD2 4Å; L92-L97 HydrophobicContact CB-CD1 4.09Å; L92-L97 HydrophobicContact CD1-CD1 4.06Å; L92-L97 HydrophobicContact CG-CD1 4.5Å; N95-L97 HydrophobicContact CB-CD1 4.42Å; N95-L97 HydrophobicContact CB-CG 4.23Å; L97-L100 HydrophobicContact CD1-CD2 4.08Å; L97-N121 HydrophobicContact CB-CB 4.38Å; L97-N121 WeakPolarHBondContact CB-OD1 3.46Å; L97-N121 PolarHBondContact N-OD1 2.94Å; L97-E122 CarbonylContact O-C 3.52Å; L97-E122 VanDerWaalsContact O-C 3.29Å; L97-E122 WeakPolarHBondContact O-CA 3.24Å; L97-E122 PolarHBondContact O-N 2.92Å; L97-L123 PolarHBondContact O-N 2.67Å
98T91.2Very high91.4Very high44 Ų4443.5 Ų43.527%0.2723%0.229SC..SBendtrans-88.2-18.5173.568.90000112.7E74 E96 E122 A128E74-T98 WeakPolarHBondContact CA-OG1 3.4Å; E74-T98 PolarHBondContact O-N 3.5Å; E74-T98 PolarHBondContact O-OG1 3.04Å; E96-T98 PolarHBondContact O-N 3.32Å; T98-E122 WeakPolarHBondContact CA-O 3.37Å; T98-E122 HydrophobicContact CG2-CB 3.97Å; T98-A128 WeakPolarHBondContact O-CB 3.32Å
99S91.1Very high91.2Very high6 Ų641.8 Ų41.84%0.04222%0.223CC..  trans-164.1148.7175.5159.20000113.2E74 K75 C101 A128E74-S99 PolarHBondContact O-N 3.35Å; E74-S99 VanDerWaalsContact O-N 3.07Å; K75-S99 WeakPolarHBondContact CA-O 3.39Å; S99-C101 WeakPolarHBondContact OG-CB 3.3Å; S99-C101 PolarHBondContact OG-N 3.2Å; S99-C101 PolarHBondContact OG-SG 2.99Å; S99-A128 CarbonylContact C-O 3.48Å; S99-A128 WeakPolarHBondContact CA-O 3.4Å; S99-A128 WeakPolarHBondContact CB-O 3.11Å; S99-A128 PolarHBondContact OG-O 3Å; S99-A128 VanDerWaalsContact OG-O 3.1Å
100L92Very high91.1Very high0 Ų040.3 Ų40.30%021%0.212CC..  trans-9510.6179.3-63.4177.1000113.9L77 L92 L97 S102 W106 I116 C118 L123 A128 F144L77-L100 HydrophobicContact CD1-CD2 4.5Å; L92-L100 HydrophobicContact CD1-CD2 3.77Å; L97-L100 HydrophobicContact CD1-CD2 4.08Å; L100-S102 VanDerWaalsContact C-N 3.29Å; L100-S102 PolarHBondContact O-N 2.96Å; L100-W106 HydrophobicContact CB-CZ2 4.28Å; L100-I116 HydrophobicContact CD1-CD1 4.14Å; L100-C118 HydrophobicContact CD1-CB 4.46Å; L100-L123 HydrophobicContact CG-CD2 4.42Å; L100-A128 PolarHBondContact N-O 3.06Å; L100-F144 HydrophobicContact CD1-CE1 4.47Å
101C88.2Confident90.9Very high43 Ų4343.6 Ų43.629%0.29123%0.234SC..THydrogen-bonded Turntrans-84.315.1-168.9-54.40000115.7S99S99-C101 WeakPolarHBondContact OG-CB 3.3Å; S99-C101 PolarHBondContact OG-N 3.2Å; S99-C101 PolarHBondContact OG-SG 2.99Å
102S84.8Confident90.9Very high57 Ų5745.3 Ų45.340%0.39925%0.246SC..THydrogen-bonded Turntrans-77-40.2173.4430000112.2K75 L100K75-S102 WeakPolarHBondContact O-CB 3.35Å; K75-S102 PolarHBondContact O-OG 3.13Å; L100-S102 VanDerWaalsContact C-N 3.29Å; L100-S102 PolarHBondContact O-N 2.96Å
103I86.4Confident90.9Very high14 Ų1445.3 Ų45.37%0.07225%0.246CC..SBendtrans-78.5131.8165.3-60.4175000107.8L77 W106 V109L77-I103 HydrophobicContact CD1-CD1 3.76Å; L77-I103 HydrophobicContact CD1-CG1 4.13Å; I103-W106 HydrophobicContact CB-CZ2 3.93Å; I103-W106 HydrophobicContact CD1-CH2 4.18Å; I103-W106 HydrophobicContact CD1-CZ2 4.2Å; I103-W106 HydrophobicContact CG2-CD2 4.19Å; I103-W106 HydrophobicContact CG2-CG 4.41Å; I103-W106 HydrophobicContact CG2-CZ2 4.34Å; I103-W106 PolarHBondContact O-NE1 2.87Å; I103-V109 HydrophobicContact CG2-CB 4.28Å; I103-V109 HydrophobicContact CG2-CG1 4.33Å; I103-V109 HydrophobicContact CG2-CG2 4.32Å
104K84.7Confident91.1Very high177 Ų17750 Ų5077%0.7726%0.261SS*.  trans-121.6140178.2-66.9-179.3177.8178.80109.7
105G89.4Confident91.3Very high22 Ų2246.3 Ų46.323%0.22725%0.251CS..  trans72.154.2-177.800000110.7P107 N108 V109 D132G105-P107 VanDerWaalsContact C-CD 3.47Å; G105-P107 VanDerWaalsContact C-N 3.3Å; G105-N108 WeakPolarHBondContact O-CA 3.11Å; G105-N108 WeakPolarHBondContact O-CB 3.49Å; G105-N108 PolarHBondContact O-N 3.02Å; G105-V109 PolarHBondContact O-N 3.06Å; G105-V109 VanDerWaalsContact O-N 3.07Å; G105-D132 WeakPolarHBondContact CA-OD2 3.42Å; G105-D132 PolarHBondContact N-OD2 3.07Å
106W93.3Very high91.6Very high0 Ų045.9 Ų45.90%025%0.248CC..Hα-helixtrans-49.4-43.5-178.7-79.579.7000113.3L90 L100 I103 N108 V109 L110 L113 I116 D132 L133L90-W106 HydrophobicContact CD2-CH2 4.35Å; L90-W106 HydrophobicContact CD2-CZ3 4.3Å; L100-W106 HydrophobicContact CB-CZ2 4.28Å; I103-W106 HydrophobicContact CB-CZ2 3.93Å; I103-W106 HydrophobicContact CD1-CH2 4.18Å; I103-W106 HydrophobicContact CD1-CZ2 4.2Å; I103-W106 HydrophobicContact CG2-CD2 4.19Å; I103-W106 HydrophobicContact CG2-CG 4.41Å; I103-W106 HydrophobicContact CG2-CZ2 4.34Å; I103-W106 PolarHBondContact O-NE1 2.87Å; W106-N108 PolarHBondContact O-N 2.76Å; W106-V109 PolarHBondContact O-N 2.68Å; W106-L110 HydrophobicContact CE3-CD1 3.99Å; W106-L110 HydrophobicContact CZ3-CD1 3.78Å; W106-L110 PolarHBondContact O-N 3.27Å; W106-L113 HydrophobicContact CE3-CD2 3.88Å; W106-L113 HydrophobicContact CZ3-CD2 4.04Å; W106-I116 HydrophobicContact CH2-CD1 4.12Å; W106-I116 HydrophobicContact CZ3-CD1 4.04Å; W106-D132 PolarHBondContact N-OD2 3.22Å; W106-L133 HydrophobicContact CD2-CD1 3.99Å; W106-L133 HydrophobicContact CE3-CD1 3.73Å; W106-L133 HydrophobicContact CG-CD1 4.37Å; W106-L133 HydrophobicContact CZ3-CD1 4.25Å
107P92Very high91.8Very high43 Ų4342.7 Ų42.728%0.27924%0.235SC..Hα-helixtrans-62.4-21.9174.8-24.735.4000115.7G105 P111G105-P107 VanDerWaalsContact C-CD 3.47Å; G105-P107 VanDerWaalsContact C-N 3.3Å; P107-P111 WeakPolarHBondContact O-CA 3.2Å; P107-P111 WeakPolarHBondContact O-CB 3.48Å
108N91.7Very high91.9Very high139 Ų13942.7 Ų42.774%0.74324%0.235SC*.Hα-helixtrans-93.8-35.7-179-63.5-20.5000112.4G105 W106G105-N108 WeakPolarHBondContact O-CA 3.11Å; G105-N108 WeakPolarHBondContact O-CB 3.49Å; G105-N108 PolarHBondContact O-N 3.02Å; W106-N108 PolarHBondContact O-N 2.76Å
109V91.1Very high92Very high30 Ų3045 Ų4518%0.18224%0.239CC..Hα-helixtrans-82.1-40.3-179.2-177.30000111.2T82 I103 G105 W106 P111T82-V109 HydrophobicContact CG2-CG1 4.1Å; I103-V109 HydrophobicContact CG2-CB 4.28Å; I103-V109 HydrophobicContact CG2-CG1 4.33Å; I103-V109 HydrophobicContact CG2-CG2 4.32Å; G105-V109 PolarHBondContact O-N 3.06Å; G105-V109 VanDerWaalsContact O-N 3.07Å; W106-V109 PolarHBondContact O-N 2.68Å; V109-P111 VanDerWaalsContact C-CD 3.45Å; V109-P111 WeakPolarHBondContact O-CD 3.32Å
110L93.5Very high92.1Very high1 Ų149.4 Ų49.41%0.00526%0.257CS..SBendtrans-126.662.6-177.6-58.7178000110.7L87 W106 S112 L113L87-L110 HydrophobicContact CB-CD2 4.22Å; L87-L110 HydrophobicContact CD2-CD1 4.47Å; L87-L110 HydrophobicContact CD2-CD2 4.09Å; W106-L110 HydrophobicContact CE3-CD1 3.99Å; W106-L110 HydrophobicContact CZ3-CD1 3.78Å; W106-L110 PolarHBondContact O-N 3.27Å; L110-S112 PolarHBondContact O-N 3.23Å; L110-S112 VanDerWaalsContact O-N 3.08Å; L110-L113 HydrophobicContact CB-CB 4.24Å; L110-L113 WeakPolarHBondContact O-CB 2.99Å; L110-L113 PolarHBondContact O-N 2.78Å; L110-L113 VanDerWaalsContact O-N 3.16Å
111P92.9Very high92.2Very high70 Ų7049.8 Ų49.846%0.45526%0.259SS..THydrogen-bonded Turntrans-61.5-22.2-173.325.8-35.8000114P107 V109P107-P111 WeakPolarHBondContact O-CA 3.2Å; P107-P111 WeakPolarHBondContact O-CB 3.48Å; V109-P111 VanDerWaalsContact C-CD 3.45Å; V109-P111 WeakPolarHBondContact O-CD 3.32Å
112S94.1Very high92.4Very high39 Ų3951.8 Ų51.827%0.27326%0.264SS..THydrogen-bonded Turntrans-88.9-3.4-177.4-54.40000114.3L110 R114L110-S112 PolarHBondContact O-N 3.23Å; L110-S112 VanDerWaalsContact O-N 3.08Å; S112-R114 WeakPolarHBondContact O-CG 3.29Å; S112-R114 PolarHBondContact O-N 2.93Å
113L95.6Very high92.8Very high1 Ų149.1 Ų49.11%0.00525%0.245CC..  trans-64.2126.5-171-172.467.8000112.7L90 W106 L110 M115 L133L90-L113 HydrophobicContact CB-CD1 4.3Å; W106-L113 HydrophobicContact CE3-CD2 3.88Å; W106-L113 HydrophobicContact CZ3-CD2 4.04Å; L110-L113 HydrophobicContact CB-CB 4.24Å; L110-L113 WeakPolarHBondContact O-CB 2.99Å; L110-L113 PolarHBondContact O-N 2.78Å; L110-L113 VanDerWaalsContact O-N 3.16Å; L113-M115 WeakPolarHBondContact CD1-O 3.44Å; L113-L133 HydrophobicContact CD2-CD1 4.02Å
114R95.8Very high92.7Very high120 Ų12051.3 Ų51.345%0.45326%0.26SS..  trans-118.9-26.5178.9-46.9-167.7-170.8164.39.6114.5E88 S112 N138 Q140E88-R114 PolarHBondContact O-N 3.33Å; E88-R114 IonicContact OE1-CZ 2.8Å; E88-R114 IonicContact OE1-NE 2.69Å; E88-R114 IonicContact OE1-NH2 3.27Å; E88-R114 PolarHBondContact OE1-NH2 3.25Å; S112-R114 WeakPolarHBondContact O-CG 3.29Å; S112-R114 PolarHBondContact O-N 2.93Å; R114-N138 WeakPolarHBondContact CA-O 3.38Å; R114-N138 HydrophobicContact CG-CB 4.05Å; R114-Q140 PolarHBondContact O-N 2.7Å; R114-Q140 VanDerWaalsContact O-N 3.09Å
115M96.6Very high92.3Very high70 Ų7045.1 Ų45.135%0.34524%0.239SC..EExtended strand (participates in β ladder)trans-139.4131.4-176176.717965.400109.9S89 L113 T117 V141S89-M115 WeakPolarHBondContact OG-CE 3.42Å; L113-M115 WeakPolarHBondContact CD1-O 3.44Å; M115-T117 HydrophobicContact CG-CG2 4.22Å; M115-T117 HydrophobicContact SD-CG2 4.33Å; M115-V141 HydrophobicContact CG-CB 4.24Å; M115-V141 HydrophobicContact CG-CG1 4.4Å
116I96.2Very high91.7Very high0 Ų049.7 Ų49.70%025%0.249CC..EExtended strand (participates in β ladder)trans-125.7130170.8-167.8170.6000109.9L100 W106 L133 L139 F144L100-I116 HydrophobicContact CD1-CD1 4.14Å; W106-I116 HydrophobicContact CH2-CD1 4.12Å; W106-I116 HydrophobicContact CZ3-CD1 4.04Å; I116-L133 HydrophobicContact CD1-CD1 4.02Å; I116-L133 HydrophobicContact CD1-CD2 4Å; I116-L133 HydrophobicContact CG2-CD2 4.37Å; I116-L139 HydrophobicContact CG2-CD1 4.22Å; I116-F144 HydrophobicContact CG2-CE1 4.43Å; I116-F144 HydrophobicContact CG2-CZ 4.32Å
117T95.7Very high91.2Very high20 Ų2054.7 Ų54.712%0.12328%0.276CS..EExtended strand (participates in β ladder)trans-122.9106.7178.751.10000109.8L90 S91 L92 M115 D143L90-T117 PolarHBondContact O-N 3.11Å; L90-T117 PolarHBondContact O-OG1 3.3Å; S91-T117 WeakPolarHBondContact CA-OG1 3.33Å; S91-T117 WeakPolarHBondContact CB-OG1 3.48Å; S91-T117 PolarHBondContact OG-OG1 3.38Å; L92-T117 PolarHBondContact N-O 3.1Å; M115-T117 HydrophobicContact CG-CG2 4.22Å; M115-T117 HydrophobicContact SD-CG2 4.33Å; T117-D143 HydrophobicContact CG2-CB 4.39Å
118C94.4Very high91Very high0 Ų052.7 Ų52.70%026%0.263CS..  trans-122.530.3180-155.60000111.5L100 N121 L123 D143 F144 N147L100-C118 HydrophobicContact CD1-CB 4.46Å; C118-N121 PolarHBondContact O-ND2 3.27Å; C118-N121 PolarHBondContact SG-ND2 3.29Å; C118-N121 VanDerWaalsContact SG-ND2 3.35Å; C118-L123 HydrophobicContact CB-CD1 4.43Å; C118-D143 PolarHBondContact N-O 3.42Å; C118-F144 HydrophobicContact CB-CD1 3.84Å; C118-F144 HydrophobicContact CB-CE1 3.89Å; C118-N147 PolarHBondContact O-ND2 3.17Å
119R93Very high91.1Very high94 Ų9446.2 Ų46.236%0.35523%0.228SC..  trans-61.8143.4174.4173172.3-160.4-146.92.7112.7V93 R94 N121 D143 S145 C146V93-R119 VanDerWaalsContact CA-O 3.29Å; V93-R119 WeakPolarHBondContact CA-O 3.43Å; V93-R119 HydrophobicContact CG1-CB 4.45Å; V93-R119 HydrophobicContact CG2-CB 4.31Å; R94-R119 PolarHBondContact N-O 3.19Å; R119-N121 PolarHBondContact O-ND2 2.67Å; R119-D143 WeakPolarHBondContact CB-OD2 3.46Å; R119-D143 WeakPolarHBondContact CD-OD2 3.42Å; R119-D143 PolarHBondContact N-O 3.16Å; R119-S145 VanDerWaalsContact CA-O 3.22Å; R119-S145 WeakPolarHBondContact CA-O 3.16Å; R119-S145 WeakPolarHBondContact CD-OG 3.27Å; R119-S145 WeakPolarHBondContact CG-O 3.3Å; R119-S145 VanDerWaalsContact CG-OG 3.31Å; R119-S145 WeakPolarHBondContact CG-OG 3.04Å; R119-S145 PolarHBondContact NE-OG 2.85Å; R119-C146 HydrophobicContact CG-CB 4.43Å
120K92.8Very high91.1Very high97 Ų9745.8 Ų45.842%0.42223%0.226SC..SBendtrans58.768.6-176.7-69.8-174.4175.3-160.70110.8R94 N95 S145 C146R94-K120 CarbonylContact C-O 3.15Å; R94-K120 WeakPolarHBondContact CA-O 3.49Å; R94-K120 HydrophobicContact CB-CB 4.44Å; R94-K120 HydrophobicContact CG-CB 3.92Å; R94-K120 HydrophobicContact CG-CD 3.88Å; R94-K120 HydrophobicContact CG-CG 4.5Å; R94-K120 PolarHBondContact N-O 2.98Å; R94-K120 VanDerWaalsContact N-O 3.16Å; N95-K120 PolarHBondContact N-O 3.34Å; K120-S145 PolarHBondContact N-O 3.3Å; K120-C146 WeakPolarHBondContact CA-O 3.46Å; K120-C146 HydrophobicContact CB-CB 4.27Å; K120-C146 HydrophobicContact CG-CB 3.42Å; K120-C146 VanDerWaalsContact CG-CB 3.42Å; K120-C146 PolarHBondContact N-O 3Å
121N93.5Very high91Very high9 Ų947.4 Ų47.45%0.04824%0.24CC..SBendtrans-140.2-173.7173.3-79.4-82.7000109.2L92 N95 L97 C118 R119 L123 C146 N147L92-N121 PolarHBondContact O-ND2 3.38Å; N95-N121 WeakPolarHBondContact CA-OD1 3.4Å; N95-N121 VanDerWaalsContact CB-OD1 3.3Å; N95-N121 WeakPolarHBondContact CB-OD1 3.44Å; N95-N121 PolarHBondContact N-OD1 3.11Å; N95-N121 WeakPolarHBondContact O-CA 3.35Å; N95-N121 PolarHBondContact O-OD1 2.8Å; N95-N121 VanDerWaalsContact O-OD1 3.11Å; L97-N121 HydrophobicContact CB-CB 4.38Å; L97-N121 WeakPolarHBondContact CB-OD1 3.46Å; L97-N121 PolarHBondContact N-OD1 2.94Å; C118-N121 PolarHBondContact O-ND2 3.27Å; C118-N121 PolarHBondContact SG-ND2 3.29Å; C118-N121 VanDerWaalsContact SG-ND2 3.35Å; R119-N121 PolarHBondContact O-ND2 2.67Å; N121-L123 HydrophobicContact CB-CG 4.42Å; N121-C146 PolarHBondContact N-O 3.29Å; N121-N147 WeakPolarHBondContact CA-OD1 3.2Å; N121-N147 VanDerWaalsContact CB-OD1 3.27Å; N121-N147 WeakPolarHBondContact CB-OD1 3.25Å; N121-N147 PolarHBondContact O-OD1 3.11Å; N121-N147 VanDerWaalsContact O-OD1 3.08Å
122E93Very high90.9Very high85 Ų8545.9 Ų45.940%0.39723%0.228SC..  trans-108.931.3-177-58.7-149.7144.900113L97 T98 T124L97-E122 CarbonylContact O-C 3.52Å; L97-E122 VanDerWaalsContact O-C 3.29Å; L97-E122 WeakPolarHBondContact O-CA 3.24Å; L97-E122 PolarHBondContact O-N 2.92Å; T98-E122 WeakPolarHBondContact CA-O 3.37Å; T98-E122 HydrophobicContact CG2-CB 3.97Å; E122-T124 VanDerWaalsContact O-CG2 3.3Å; E122-T124 WeakPolarHBondContact O-CG2 3.22Å; E122-T124 PolarHBondContact O-N 2.94Å
123L93Very high91Very high0 Ų044 Ų440%022%0.215CC..  trans-64.3106.5179.3-56.4173.1000109.5L97 L100 C118 N121 A128 I129 F144 N147 Q148 L149L97-L123 PolarHBondContact O-N 2.67Å; L100-L123 HydrophobicContact CG-CD2 4.42Å; C118-L123 HydrophobicContact CB-CD1 4.43Å; N121-L123 HydrophobicContact CB-CG 4.42Å; L123-A128 HydrophobicContact CB-CB 4.22Å; L123-A128 HydrophobicContact CD2-CB 4.17Å; L123-I129 HydrophobicContact CD1-CD1 4.14Å; L123-I129 HydrophobicContact CD1-CG1 4.01Å; L123-F144 HydrophobicContact CD1-CD1 4.25Å; L123-N147 HydrophobicContact CB-CB 4.21Å; L123-N147 VanDerWaalsContact CB-OD1 3.31Å; L123-N147 WeakPolarHBondContact CB-OD1 3.13Å; L123-N147 VanDerWaalsContact CG-OD1 3.25Å; L123-N147 WeakPolarHBondContact CG-OD1 3.43Å; L123-N147 PolarHBondContact N-OD1 3.14Å; L123-N147 VanDerWaalsContact N-OD1 3.09Å; L123-Q148 CarbonylContact O-C 3.51Å; L123-Q148 VanDerWaalsContact O-C 3.24Å; L123-Q148 WeakPolarHBondContact O-CA 3.09Å; L123-Q148 PolarHBondContact O-N 2.95Å; L123-L149 HydrophobicContact CB-CD2 4.02Å; L123-L149 HydrophobicContact CB-CG 4.48Å; L123-L149 WeakPolarHBondContact O-CD2 3.46Å; L123-L149 PolarHBondContact O-N 3.35Å; L123-L149 VanDerWaalsContact O-N 3.11Å
124T84.2Confident90.9Very high61 Ų6144.3 Ų44.337%0.37422%0.216SC..  trans-92.4-31.5-168.452.30000115E122 Q148E122-T124 VanDerWaalsContact O-CG2 3.3Å; E122-T124 WeakPolarHBondContact O-CG2 3.22Å; E122-T124 PolarHBondContact O-N 2.94Å; T124-Q148 HydrophobicContact CG2-CB 4.08Å
125S76.9Confident90.7Very high47 Ų4743.4 Ų43.433%0.32922%0.217SC..SBendtrans-134.6163.9-161.975.50000113D127 A128S125-D127 PolarHBondContact O-N 3.08Å; S125-D127 VanDerWaalsContact O-N 3.14Å; S125-A128 VanDerWaalsContact O-CB 3.26Å; S125-A128 WeakPolarHBondContact O-CB 3.34Å; S125-A128 PolarHBondContact O-N 3.3Å; S125-A128 PolarHBondContact OG-N 3.35Å
126R75.6Confident90.5Very high117 Ų11740.7 Ų40.744%0.44221%0.205SC..THydrogen-bonded Turntrans-56.7-26.7178.3-179.2171.9169.6-179-4.4113.6N154R126-N154 HydrophobicContact CG-CB 4.07Å; R126-N154 VanDerWaalsContact CZ-OD1 3.25Å; R126-N154 VanDerWaalsContact NE-CG 3.3Å; R126-N154 PolarHBondContact NE-OD1 2.87Å; R126-N154 PolarHBondContact NH2-OD1 3.08Å; R126-N154 PolarHBondContact O-N 3.07Å
127D83.6Confident90.1Very high105 Ų10548.4 Ų48.456%0.56125%0.246SC*.THydrogen-bonded Turntrans-104.46.1-178.8-53.5-51.2000113.4S125 I129 N154S125-D127 PolarHBondContact O-N 3.08Å; S125-D127 VanDerWaalsContact O-N 3.14Å; D127-I129 PolarHBondContact O-N 3.29Å; D127-N154 PolarHBondContact OD1-ND2 3.2Å
128A88.8Confident90Very high2 Ų251.2 Ų51.22%0.01726%0.26CS..SBendtrans-66.5-29.3173.600000112.2T98 S99 L100 L123 S125T98-A128 WeakPolarHBondContact O-CB 3.32Å; S99-A128 CarbonylContact C-O 3.48Å; S99-A128 WeakPolarHBondContact CA-O 3.4Å; S99-A128 WeakPolarHBondContact CB-O 3.11Å; S99-A128 PolarHBondContact OG-O 3Å; S99-A128 VanDerWaalsContact OG-O 3.1Å; L100-A128 PolarHBondContact N-O 3.06Å; L123-A128 HydrophobicContact CB-CB 4.22Å; L123-A128 HydrophobicContact CD2-CB 4.17Å; S125-A128 VanDerWaalsContact O-CB 3.26Å; S125-A128 WeakPolarHBondContact O-CB 3.34Å; S125-A128 PolarHBondContact O-N 3.3Å; S125-A128 PolarHBondContact OG-N 3.35Å
129I92.4Very high90Very high2 Ų251.6 Ų51.61%0.0126%0.262CS..SBendtrans-106123.2177-61.3152.5000107.3L123 D127 L133 F134 F144 L149 P153L123-I129 HydrophobicContact CD1-CD1 4.14Å; L123-I129 HydrophobicContact CD1-CG1 4.01Å; D127-I129 PolarHBondContact O-N 3.29Å; I129-L133 HydrophobicContact CG2-CD2 3.8Å; I129-F134 HydrophobicContact CG2-CE2 3.87Å; I129-F134 HydrophobicContact CG2-CZ 3.88Å; I129-F144 HydrophobicContact CD1-CD1 4.43Å; I129-F144 HydrophobicContact CD1-CD2 3.62Å; I129-F144 HydrophobicContact CD1-CE1 4.45Å; I129-F144 HydrophobicContact CD1-CE2 3.63Å; I129-F144 HydrophobicContact CD1-CG 4.05Å; I129-F144 HydrophobicContact CD1-CZ 4.06Å; I129-F144 HydrophobicContact CG1-CE2 4.31Å; I129-F144 HydrophobicContact CG1-CZ 4.29Å; I129-F144 HydrophobicContact CG2-CE2 4.16Å; I129-F144 HydrophobicContact CG2-CZ 4.06Å; I129-L149 HydrophobicContact CD1-CD1 4.32Å; I129-L149 HydrophobicContact CD1-CD2 4.38Å; I129-P153 HydrophobicContact CD1-CB 3.91Å; I129-P153 HydrophobicContact CD1-CG 3.7Å
130P91.2Very high90.1Very high21 Ų2152 Ų5214%0.13627%0.268CS..  trans-76.6140.5-176.433.6-35.8000111.1D132 L133P130-D132 VanDerWaalsContact C-N 3.28Å; P130-D132 WeakPolarHBondContact CB-OD1 3.1Å; P130-D132 PolarHBondContact O-N 2.82Å; P130-L133 VanDerWaalsContact O-CB 3.28Å; P130-L133 WeakPolarHBondContact O-CB 3.12Å; P130-L133 PolarHBondContact O-N 3.09Å
131A91.1Very high90.3Very high36 Ų3650.1 Ų50.130%0.29827%0.265SS..THydrogen-bonded Turntrans-73-13.9-169.800000114.9L133A131-L133 VanDerWaalsContact C-N 3.31Å
132D92.7Very high90.5Very high37 Ų3749.8 Ų49.820%0.19826%0.263CS..THydrogen-bonded Turntrans-74.4-19.8173.865.2-36.8000112.5G105 W106 P130 F134 E135G105-D132 WeakPolarHBondContact CA-OD2 3.42Å; G105-D132 PolarHBondContact N-OD2 3.07Å; W106-D132 PolarHBondContact N-OD2 3.22Å; P130-D132 VanDerWaalsContact C-N 3.28Å; P130-D132 WeakPolarHBondContact CB-OD1 3.1Å; P130-D132 PolarHBondContact O-N 2.82Å; D132-F134 VanDerWaalsContact C-N 3.26Å; D132-F134 PolarHBondContact O-N 2.79Å; D132-E135 WeakPolarHBondContact O-CB 3.42Å; D132-E135 PolarHBondContact O-N 2.87Å
133L94.2Very high90.7Very high0 Ų047.1 Ų47.10%025%0.252CS..G310 helixtrans-58.9-38.1171.1179.465.3000111.9W106 L113 I116 I129 P130 A131 E135 C136 F144W106-L133 HydrophobicContact CD2-CD1 3.99Å; W106-L133 HydrophobicContact CE3-CD1 3.73Å; W106-L133 HydrophobicContact CG-CD1 4.37Å; W106-L133 HydrophobicContact CZ3-CD1 4.25Å; L113-L133 HydrophobicContact CD2-CD1 4.02Å; I116-L133 HydrophobicContact CD1-CD1 4.02Å; I116-L133 HydrophobicContact CD1-CD2 4Å; I116-L133 HydrophobicContact CG2-CD2 4.37Å; I129-L133 HydrophobicContact CG2-CD2 3.8Å; P130-L133 VanDerWaalsContact O-CB 3.28Å; P130-L133 WeakPolarHBondContact O-CB 3.12Å; P130-L133 PolarHBondContact O-N 3.09Å; A131-L133 VanDerWaalsContact C-N 3.31Å; L133-E135 PolarHBondContact O-N 2.83Å; L133-C136 WeakPolarHBondContact O-CB 3.34Å; L133-C136 PolarHBondContact O-N 3.28Å; L133-F144 HydrophobicContact CD2-CZ 4.08Å
134F94Very high90.8Very high8 Ų847.1 Ų47.14%0.03525%0.252CS..G310 helixtrans-802.4177.4-54.4-68000113.4I129 D132 L139 F144 P153 N154 G155 I156 A159I129-F134 HydrophobicContact CG2-CE2 3.87Å; I129-F134 HydrophobicContact CG2-CZ 3.88Å; D132-F134 VanDerWaalsContact C-N 3.26Å; D132-F134 PolarHBondContact O-N 2.79Å; F134-L139 HydrophobicContact CD1-CD2 4.09Å; F134-F144 HydrophobicContact CE1-CE2 4.24Å; F134-F144 AromaticContact CZ-CE2 4Å; F134-F144 HydrophobicContact CZ-CE2 4Å; F134-P153 HydrophobicContact CE2-CB 3.86Å; F134-P153 HydrophobicContact CZ-CB 3.71Å; F134-P153 HydrophobicContact CZ-CG 4.41Å; F134-N154 VanDerWaalsContact CD2-O 3.29Å; F134-N154 WeakPolarHBondContact CD2-O 3.35Å; F134-N154 WeakPolarHBondContact CE2-O 3.25Å; F134-G155 WeakPolarHBondContact CB-O 3.12Å; F134-I156 HydrophobicContact CD1-CG1 4.5Å; F134-I156 HydrophobicContact CE1-CB 4.34Å; F134-I156 HydrophobicContact CE1-CG1 4.08Å; F134-I156 HydrophobicContact CE2-CB 4.5Å; F134-I156 HydrophobicContact CZ-CB 4.26Å; F134-I156 HydrophobicContact CZ-CG1 4.38Å; F134-A159 HydrophobicContact CD1-CB 4.46Å
135E93Very high91.4Very high101 Ų10144.2 Ų44.247%0.47223%0.234SC..G310 helixtrans-100.8-0.1172.1-58.2-176.9169.400112D132 L133 N137 K158D132-E135 WeakPolarHBondContact O-CB 3.42Å; D132-E135 PolarHBondContact O-N 2.87Å; L133-E135 PolarHBondContact O-N 2.83Å; E135-N137 PolarHBondContact O-N 3.3Å; E135-K158 HydrophobicContact CG-CD 4.01Å; E135-K158 IonicContact OE1-NZ 3.85Å; E135-K158 PolarHBondContact OE1-NZ 3.31Å
136C92.3Very high92.3Very high12 Ų1243.3 Ų43.38%0.08123%0.227CC..  trans-64.6103.5167.1-71.50000110.4L133 N138 L139L133-C136 WeakPolarHBondContact O-CB 3.34Å; L133-C136 PolarHBondContact O-N 3.28Å; C136-N138 PolarHBondContact O-N 2.97Å; C136-L139 HydrophobicContact CB-CB 4.22Å; C136-L139 VanDerWaalsContact O-CB 3.31Å; C136-L139 WeakPolarHBondContact O-CB 3.4Å; C136-L139 PolarHBondContact O-N 3.17Å
137N87.8Confident93.2Very high162 Ų16238.2 Ų38.287%0.86621%0.209SC*.THydrogen-bonded Turntrans-49.9-24.8-174.4-68.1-45.3000116.1E135E135-N137 PolarHBondContact O-N 3.3Å
138N92Very high93.7Very high79 Ų7936.6 Ų36.642%0.42220%0.197SC..THydrogen-bonded Turntrans-102.36-176.1-58.8-52.3000114R114 C136 Q140R114-N138 WeakPolarHBondContact CA-O 3.38Å; R114-N138 HydrophobicContact CG-CB 4.05Å; C136-N138 PolarHBondContact O-N 2.97Å; N138-Q140 PolarHBondContact O-N 3.36Å
139L95Very high93.9Very high9 Ų936.5 Ų36.55%0.04720%0.197CC..  trans-72.9116.9-175.8-174.368.4000111.7I116 F134 C136 V142I116-L139 HydrophobicContact CG2-CD1 4.22Å; F134-L139 HydrophobicContact CD1-CD2 4.09Å; C136-L139 HydrophobicContact CB-CB 4.22Å; C136-L139 VanDerWaalsContact O-CB 3.31Å; C136-L139 WeakPolarHBondContact O-CB 3.4Å; C136-L139 PolarHBondContact O-N 3.17Å; L139-V142 HydrophobicContact CD1-CG2 4.25Å; L139-V142 HydrophobicContact CD2-CG2 3.92Å; L139-V142 HydrophobicContact CG-CG2 4.09Å
140Q96.1Very high93.9Very high102 Ų10239.6 Ų39.648%0.47722%0.216SC..  trans-119.2-26.9-173.8-70.6172.8-7.800114.4R114 N138 L163R114-Q140 PolarHBondContact O-N 2.7Å; R114-Q140 VanDerWaalsContact O-N 3.09Å; N138-Q140 PolarHBondContact O-N 3.36Å; Q140-L163 PolarHBondContact O-N 3.1Å
141V97Very high93.9Very high58 Ų5843.3 Ų43.335%0.35223%0.232SC..EExtended strand (participates in β ladder)trans-132.9126.2-172.9-1780000109.5M115M115-V141 HydrophobicContact CG-CB 4.24Å; M115-V141 HydrophobicContact CG-CG1 4.4Å
142V96.9Very high93.9Very high2 Ų242.7 Ų42.71%0.01222%0.223CC..EExtended strand (participates in β ladder)trans-131.1116.7179.6176.80000110L139 F144 L162 L165 N166L139-V142 HydrophobicContact CD1-CG2 4.25Å; L139-V142 HydrophobicContact CD2-CG2 3.92Å; L139-V142 HydrophobicContact CG-CG2 4.09Å; V142-F144 HydrophobicContact CG1-CD2 3.44Å; V142-F144 VanDerWaalsContact CG1-CD2 3.44Å; V142-F144 HydrophobicContact CG1-CE1 4.4Å; V142-F144 HydrophobicContact CG1-CE2 3.22Å; V142-F144 HydrophobicContact CG1-CG 4.14Å; V142-F144 HydrophobicContact CG1-CZ 3.76Å; V142-L162 HydrophobicContact CB-CD1 4.02Å; V142-L162 HydrophobicContact CG2-CD1 3.75Å; V142-L165 HydrophobicContact CG1-CD1 4.43Å; V142-N166 PolarHBondContact O-N 2.98Å
143D96.5Very high93.9Very high29 Ų2941 Ų4116%0.15521%0.214CC..EExtended strand (participates in β ladder)trans-119.3105.6173.2-17710.8000111.1T117 C118 R119 S145 N166T117-D143 HydrophobicContact CG2-CB 4.39Å; C118-D143 PolarHBondContact N-O 3.42Å; R119-D143 WeakPolarHBondContact CB-OD2 3.46Å; R119-D143 WeakPolarHBondContact CD-OD2 3.42Å; R119-D143 PolarHBondContact N-O 3.16Å; D143-S145 VanDerWaalsContact OD1-CB 3.3Å; D143-S145 WeakPolarHBondContact OD1-CB 3.44Å; D143-S145 PolarHBondContact OD1-N 3.35Å; D143-S145 PolarHBondContact OD1-OG 3.05Å; D143-N166 PolarHBondContact OD1-ND2 3.05Å
144F96.2Very high93.7Very high0 Ų043.1 Ų43.10%023%0.225CC..  trans-117.825171.8-58.2-43.7000111.4L100 I116 C118 L123 I129 L133 F134 V142 N147 L149 P153 N166 L167 N170L100-F144 HydrophobicContact CD1-CE1 4.47Å; I116-F144 HydrophobicContact CG2-CE1 4.43Å; I116-F144 HydrophobicContact CG2-CZ 4.32Å; C118-F144 HydrophobicContact CB-CD1 3.84Å; C118-F144 HydrophobicContact CB-CE1 3.89Å; L123-F144 HydrophobicContact CD1-CD1 4.25Å; I129-F144 HydrophobicContact CD1-CD1 4.43Å; I129-F144 HydrophobicContact CD1-CD2 3.62Å; I129-F144 HydrophobicContact CD1-CE1 4.45Å; I129-F144 HydrophobicContact CD1-CE2 3.63Å; I129-F144 HydrophobicContact CD1-CG 4.05Å; I129-F144 HydrophobicContact CD1-CZ 4.06Å; I129-F144 HydrophobicContact CG1-CE2 4.31Å; I129-F144 HydrophobicContact CG1-CZ 4.29Å; I129-F144 HydrophobicContact CG2-CE2 4.16Å; I129-F144 HydrophobicContact CG2-CZ 4.06Å; L133-F144 HydrophobicContact CD2-CZ 4.08Å; F134-F144 HydrophobicContact CE1-CE2 4.24Å; F134-F144 AromaticContact CZ-CE2 4Å; F134-F144 HydrophobicContact CZ-CE2 4Å; V142-F144 HydrophobicContact CG1-CD2 3.44Å; V142-F144 VanDerWaalsContact CG1-CD2 3.44Å; V142-F144 HydrophobicContact CG1-CE1 4.4Å; V142-F144 HydrophobicContact CG1-CE2 3.22Å; V142-F144 HydrophobicContact CG1-CG 4.14Å; V142-F144 HydrophobicContact CG1-CZ 3.76Å; F144-N147 PolarHBondContact O-ND2 3.21Å; F144-L149 HydrophobicContact CB-CD1 4.25Å; F144-P153 HydrophobicContact CD2-CG 4.24Å; F144-N166 PolarHBondContact N-O 3.3Å; F144-N166 VanDerWaalsContact N-O 3.16Å; F144-L167 HydrophobicContact CB-CD2 4.15Å; F144-N170 PolarHBondContact O-ND2 3.38Å; F144-N170 VanDerWaalsContact O-ND2 3.09Å
145S95.5Very high93.5Very high0 Ų042.9 Ų42.90%023%0.226CC..  trans-65.2159.7175.263.80000112.6R119 K120 D143 N147 N166 S168R119-S145 VanDerWaalsContact CA-O 3.22Å; R119-S145 WeakPolarHBondContact CA-O 3.16Å; R119-S145 WeakPolarHBondContact CD-OG 3.27Å; R119-S145 WeakPolarHBondContact CG-O 3.3Å; R119-S145 VanDerWaalsContact CG-OG 3.31Å; R119-S145 WeakPolarHBondContact CG-OG 3.04Å; R119-S145 PolarHBondContact NE-OG 2.85Å; K120-S145 PolarHBondContact N-O 3.3Å; D143-S145 VanDerWaalsContact OD1-CB 3.3Å; D143-S145 WeakPolarHBondContact OD1-CB 3.44Å; D143-S145 PolarHBondContact OD1-N 3.35Å; D143-S145 PolarHBondContact OD1-OG 3.05Å; S145-N147 PolarHBondContact O-ND2 2.85Å; S145-N166 WeakPolarHBondContact CB-OD1 3.38Å; S145-N166 PolarHBondContact N-O 3.33Å; S145-N166 PolarHBondContact OG-ND2 2.91Å; S145-S168 CarbonylContact C-O 3.22Å; S145-S168 WeakPolarHBondContact CA-O 3.39Å; S145-S168 VanDerWaalsContact CB-O 3.25Å; S145-S168 WeakPolarHBondContact CB-O 3.45Å
146C95.7Very high93.5Very high27 Ų2738.2 Ų38.218%0.18220%0.204CC..SBendtrans54.254.5-176-47.90000112.1R119 K120 N121 S168 N169R119-C146 HydrophobicContact CG-CB 4.43Å; K120-C146 WeakPolarHBondContact CA-O 3.46Å; K120-C146 HydrophobicContact CB-CB 4.27Å; K120-C146 HydrophobicContact CG-CB 3.42Å; K120-C146 VanDerWaalsContact CG-CB 3.42Å; K120-C146 PolarHBondContact N-O 3Å; N121-C146 PolarHBondContact N-O 3.29Å; C146-S168 PolarHBondContact N-O 3.03Å; C146-N169 CarbonylContact C-O 3.58Å; C146-N169 WeakPolarHBondContact CA-O 3.44Å; C146-N169 HydrophobicContact CB-CB 4.23Å; C146-N169 PolarHBondContact N-O 3.04Å
147N95Very high93.4Very high11 Ų1141.2 Ų41.26%0.05922%0.216CC..SBendtrans-126.6-171.3175.1-86.2-81.7000109.6C118 N121 L123 F144 S145 L149 N169 N170C118-N147 PolarHBondContact O-ND2 3.17Å; N121-N147 WeakPolarHBondContact CA-OD1 3.2Å; N121-N147 VanDerWaalsContact CB-OD1 3.27Å; N121-N147 WeakPolarHBondContact CB-OD1 3.25Å; N121-N147 PolarHBondContact O-OD1 3.11Å; N121-N147 VanDerWaalsContact O-OD1 3.08Å; L123-N147 HydrophobicContact CB-CB 4.21Å; L123-N147 VanDerWaalsContact CB-OD1 3.31Å; L123-N147 WeakPolarHBondContact CB-OD1 3.13Å; L123-N147 VanDerWaalsContact CG-OD1 3.25Å; L123-N147 WeakPolarHBondContact CG-OD1 3.43Å; L123-N147 PolarHBondContact N-OD1 3.14Å; L123-N147 VanDerWaalsContact N-OD1 3.09Å; F144-N147 PolarHBondContact O-ND2 3.21Å; S145-N147 PolarHBondContact O-ND2 2.85Å; N147-L149 HydrophobicContact CB-CG 4.26Å; N147-N169 PolarHBondContact N-O 3.19Å; N147-N169 VanDerWaalsContact N-O 3.08Å; N147-N170 WeakPolarHBondContact CA-OD1 3.35Å; N147-N170 WeakPolarHBondContact CB-OD1 3.47Å; N147-N170 PolarHBondContact N-OD1 3.12Å; N147-N170 PolarHBondContact O-OD1 2.64Å
148Q93.6Very high93.7Very high70 Ų7037.7 Ų37.733%0.32719%0.194SC..  trans-105.715.4-178.8-60.3-17234.200112.9L123 T124 T150L123-Q148 CarbonylContact O-C 3.51Å; L123-Q148 VanDerWaalsContact O-C 3.24Å; L123-Q148 WeakPolarHBondContact O-CA 3.09Å; L123-Q148 PolarHBondContact O-N 2.95Å; T124-Q148 HydrophobicContact CG2-CB 4.08Å; Q148-T150 PolarHBondContact O-N 3.38Å
149L93.8Very high93.7Very high0 Ų034.2 Ų34.20%018%0.176CC..  trans-62.9122-171-61.3172.3000111.6L123 I129 F144 N147 P153 L167 N170 Q171 I172L123-L149 HydrophobicContact CB-CD2 4.02Å; L123-L149 HydrophobicContact CB-CG 4.48Å; L123-L149 WeakPolarHBondContact O-CD2 3.46Å; L123-L149 PolarHBondContact O-N 3.35Å; L123-L149 VanDerWaalsContact O-N 3.11Å; I129-L149 HydrophobicContact CD1-CD1 4.32Å; I129-L149 HydrophobicContact CD1-CD2 4.38Å; F144-L149 HydrophobicContact CB-CD1 4.25Å; N147-L149 HydrophobicContact CB-CG 4.26Å; L149-P153 HydrophobicContact CD1-CG 4.32Å; L149-L167 HydrophobicContact CD1-CD2 4.48Å; L149-N170 HydrophobicContact CB-CB 4.35Å; L149-N170 VanDerWaalsContact CB-OD1 3.28Å; L149-N170 WeakPolarHBondContact CB-OD1 3.34Å; L149-N170 WeakPolarHBondContact CG-OD1 3.4Å; L149-N170 PolarHBondContact N-OD1 3.24Å; L149-Q171 CarbonylContact O-C 3.27Å; L149-Q171 VanDerWaalsContact O-C 3.32Å; L149-Q171 WeakPolarHBondContact O-CA 3.22Å; L149-Q171 PolarHBondContact O-N 2.88Å; L149-I172 WeakPolarHBondContact O-CG1 3.26Å; L149-I172 PolarHBondContact O-N 3.04Å
150T92.2Very high93.5Very high68 Ų6840.7 Ų40.742%0.41720%0.204SC..SBendtrans-88.5-15.5176.449.50000113.6Q148 Q171Q148-T150 PolarHBondContact O-N 3.38Å; T150-Q171 HydrophobicContact CG2-CB 4.06Å
151Q91.2Very high93.3Very high99 Ų9937.9 Ų37.946%0.46320%0.202SC..SBendtrans-144.9169.2-178.7-62.7-1742.800109.8
152L91.9Very high93.2Very high22 Ų2235.2 Ų35.212%0.11519%0.186CC..PPolyproline II helixtrans-63.2146.6171.3-63.7174.7000111.5I156 L167 I172 I175 L179L152-I156 HydrophobicContact CB-CG2 4.46Å; L152-L167 HydrophobicContact CD2-CD1 3.54Å; L152-I172 HydrophobicContact CD2-CD1 4.44Å; L152-I175 HydrophobicContact CD1-CG2 4.36Å; L152-I175 HydrophobicContact CD2-CD1 4Å; L152-L179 HydrophobicContact CD1-CB 4.42Å; L152-L179 HydrophobicContact CD1-CD2 4.11Å; L152-L179 HydrophobicContact CD2-CD2 4.39Å
153P91.3Very high93.1Very high3 Ų338.6 Ų38.62%0.01920%0.203CC..PPolyproline II helixtrans-59.4148.2174.2-24.334.8000113.4I129 F134 F144 L149 G155 I156I129-P153 HydrophobicContact CD1-CB 3.91Å; I129-P153 HydrophobicContact CD1-CG 3.7Å; F134-P153 HydrophobicContact CE2-CB 3.86Å; F134-P153 HydrophobicContact CZ-CB 3.71Å; F134-P153 HydrophobicContact CZ-CG 4.41Å; F144-P153 HydrophobicContact CD2-CG 4.24Å; L149-P153 HydrophobicContact CD1-CG 4.32Å; P153-G155 PolarHBondContact O-N 2.93Å; P153-I156 HydrophobicContact CG-CD1 4.34Å; P153-I156 WeakPolarHBondContact O-CG2 3.2Å
154N89.8Confident93.2Very high43 Ų4338.6 Ų38.623%0.2321%0.208CC..THydrogen-bonded Turntrans-67.7123.3180-118.5-22.2000112.1R126 D127 F134R126-N154 HydrophobicContact CG-CB 4.07Å; R126-N154 VanDerWaalsContact CZ-OD1 3.25Å; R126-N154 VanDerWaalsContact NE-CG 3.3Å; R126-N154 PolarHBondContact NE-OD1 2.87Å; R126-N154 PolarHBondContact NH2-OD1 3.08Å; R126-N154 PolarHBondContact O-N 3.07Å; D127-N154 PolarHBondContact OD1-ND2 3.2Å; F134-N154 VanDerWaalsContact CD2-O 3.29Å; F134-N154 WeakPolarHBondContact CD2-O 3.35Å; F134-N154 WeakPolarHBondContact CE2-O 3.25Å
155G89.9Confident93.2Very high4 Ų438.6 Ų38.64%0.04121%0.208CC..THydrogen-bonded Turntrans848.517600000115.4F134 P153 E157 K158F134-G155 WeakPolarHBondContact CB-O 3.12Å; P153-G155 PolarHBondContact O-N 2.93Å; G155-E157 WeakPolarHBondContact CA-OE1 3.2Å; G155-E157 PolarHBondContact O-N 3.03Å; G155-K158 WeakPolarHBondContact O-CB 3.38Å; G155-K158 WeakPolarHBondContact O-CG 3.09Å; G155-K158 PolarHBondContact O-N 3.37Å
156I93.3Very high93.3Very high2 Ų239.9 Ų39.91%0.0122%0.215CC..G310 helixtrans-58.9-30.4179.9-167.1167.3000112.6F134 L152 P153 K158 A159 L162 L165 L179F134-I156 HydrophobicContact CD1-CG1 4.5Å; F134-I156 HydrophobicContact CE1-CB 4.34Å; F134-I156 HydrophobicContact CE1-CG1 4.08Å; F134-I156 HydrophobicContact CE2-CB 4.5Å; F134-I156 HydrophobicContact CZ-CB 4.26Å; F134-I156 HydrophobicContact CZ-CG1 4.38Å; L152-I156 HydrophobicContact CB-CG2 4.46Å; P153-I156 HydrophobicContact CG-CD1 4.34Å; P153-I156 WeakPolarHBondContact O-CG2 3.2Å; I156-K158 PolarHBondContact O-N 2.82Å; I156-A159 WeakPolarHBondContact O-CB 3.47Å; I156-A159 PolarHBondContact O-N 3.33Å; I156-A159 VanDerWaalsContact O-N 3.13Å; I156-L162 HydrophobicContact CG1-CD2 4.49Å; I156-L165 HydrophobicContact CD1-CD1 3.77Å; I156-L165 HydrophobicContact CD1-CD2 3.93Å; I156-L179 HydrophobicContact CG2-CD1 4.43Å
157E91.5Very high93.3Very high75 Ų7538.6 Ų38.635%0.3521%0.206SC..G310 helixtrans-67.6-9.6174.572.4-68.6161.600114.5G155 Q182G155-E157 WeakPolarHBondContact CA-OE1 3.2Å; G155-E157 PolarHBondContact O-N 3.03Å; E157-Q182 HydrophobicContact CB-CB 4.37Å; E157-Q182 HydrophobicContact CB-CG 4.18Å; E157-Q182 WeakPolarHBondContact O-CB 3.29Å
158K92.4Very high93.4Very high89 Ų8938.3 Ų38.339%0.38720%0.204SC..G310 helixtrans-75.8-25.4170.1-60.8177.5-178.4176.80112.6E135 G155 I156 K160E135-K158 HydrophobicContact CG-CD 4.01Å; E135-K158 IonicContact OE1-NZ 3.85Å; E135-K158 PolarHBondContact OE1-NZ 3.31Å; G155-K158 WeakPolarHBondContact O-CB 3.38Å; G155-K158 WeakPolarHBondContact O-CG 3.09Å; G155-K158 PolarHBondContact O-N 3.37Å; I156-K158 PolarHBondContact O-N 2.82Å; K158-K160 PolarHBondContact O-N 2.97Å
159A92.7Very high93.5Very high6 Ų638.1 Ų38.15%0.0521%0.206CC..  trans-75.868.5-176.800000111.5F134 I156 G161 L162F134-A159 HydrophobicContact CD1-CB 4.46Å; I156-A159 WeakPolarHBondContact O-CB 3.47Å; I156-A159 PolarHBondContact O-N 3.33Å; I156-A159 VanDerWaalsContact O-N 3.13Å; A159-G161 PolarHBondContact O-N 3.04Å; A159-L162 HydrophobicContact CB-CB 4.08Å; A159-L162 WeakPolarHBondContact O-CB 3.34Å; A159-L162 PolarHBondContact O-N 3Å
160K90.2Very high93.6Very high145 Ų14538.7 Ų38.763%0.6321%0.209SC*.THydrogen-bonded Turntrans-64.1-20.7-176.1-67.7174.3-178176.90114.1K158K158-K160 PolarHBondContact O-N 2.97Å
161G91.8Very high93.7Very high43 Ų4338.8 Ų38.844%0.44320%0.204SC..THydrogen-bonded Turntrans-90.38.8173.900000114.9A159 L163A159-G161 PolarHBondContact O-N 3.04Å; G161-L163 PolarHBondContact O-N 3.07Å
162L95Very high93.9Very high1 Ų134.1 Ų34.11%0.00518%0.183CC..  trans-72.7113.5-177.2-175.167.8000111.4V142 I156 A159 A164 L165 L186V142-L162 HydrophobicContact CB-CD1 4.02Å; V142-L162 HydrophobicContact CG2-CD1 3.75Å; I156-L162 HydrophobicContact CG1-CD2 4.49Å; A159-L162 HydrophobicContact CB-CB 4.08Å; A159-L162 WeakPolarHBondContact O-CB 3.34Å; A159-L162 PolarHBondContact O-N 3Å; L162-A164 WeakPolarHBondContact CD1-O 3.47Å; L162-L165 HydrophobicContact CD2-CB 4.08Å; L162-L165 HydrophobicContact CD2-CD1 4.34Å; L162-L165 HydrophobicContact CD2-CD2 4.23Å; L162-L165 HydrophobicContact CD2-CG 4.45Å; L162-L186 HydrophobicContact CG-CD2 4.33Å
163L96.5Very high94Very high73 Ų7335.8 Ų35.838%0.38220%0.2SC..  trans-95.3-31.6-176.6-53.3-176.9000112.9Q140 G161 M187Q140-L163 PolarHBondContact O-N 3.1Å; G161-L163 PolarHBondContact O-N 3.07Å; L163-M187 HydrophobicContact CD2-CE 4.41Å; L163-M187 PolarHBondContact O-N 3.03Å
164A96.7Very high94.1Very high30 Ų3042.3 Ų42.325%0.24823%0.234CC..EExtended strand (participates in β ladder)trans-136.4127.1-178.500000110.6L162 F188L162-A164 WeakPolarHBondContact CD1-O 3.47Å; A164-F188 HydrophobicContact CB-CB 4.35Å; A164-F188 HydrophobicContact CB-CD1 4.39Å
165L97.5Very high94.3Very high0 Ų040.4 Ų40.40%022%0.224CC..EExtended strand (participates in β ladder)trans-125.7119.8178.7177.154.2000110.3V142 I156 L162 L167 L179 L186 F188 L189 D190V142-L165 HydrophobicContact CG1-CD1 4.43Å; I156-L165 HydrophobicContact CD1-CD1 3.77Å; I156-L165 HydrophobicContact CD1-CD2 3.93Å; L162-L165 HydrophobicContact CD2-CB 4.08Å; L162-L165 HydrophobicContact CD2-CD1 4.34Å; L162-L165 HydrophobicContact CD2-CD2 4.23Å; L162-L165 HydrophobicContact CD2-CG 4.45Å; L165-L167 HydrophobicContact CD1-CD1 4.05Å; L165-L167 HydrophobicContact CD1-CD2 4.14Å; L165-L167 HydrophobicContact CD1-CG 3.8Å; L165-L167 HydrophobicContact CD2-CD1 4.01Å; L165-L167 HydrophobicContact CG-CD1 4.07Å; L165-L167 HydrophobicContact CG-CG 4.06Å; L165-L179 HydrophobicContact CD2-CD1 4.15Å; L165-L179 HydrophobicContact CD2-CD2 4.24Å; L165-L186 HydrophobicContact CB-CD2 3.99Å; L165-F188 PolarHBondContact N-O 3.04Å; L165-L189 HydrophobicContact CD2-CD1 4.45Å; L165-D190 PolarHBondContact O-N 3.18Å
166N97Very high94.4Very high27 Ų2742.5 Ų42.514%0.14424%0.237CC..EExtended strand (participates in β ladder)trans-114.5117.7174.1-168.30.8000112V142 D143 F144 S145 S168 F188 D190V142-N166 PolarHBondContact O-N 2.98Å; D143-N166 PolarHBondContact OD1-ND2 3.05Å; F144-N166 PolarHBondContact N-O 3.3Å; F144-N166 VanDerWaalsContact N-O 3.16Å; S145-N166 WeakPolarHBondContact CB-OD1 3.38Å; S145-N166 PolarHBondContact N-O 3.33Å; S145-N166 PolarHBondContact OG-ND2 2.91Å; N166-S168 PolarHBondContact OD1-N 3.36Å; N166-S168 PolarHBondContact OD1-OG 2.86Å; N166-F188 HydrophobicContact CB-CE1 4.42Å; N166-D190 PolarHBondContact OD1-OD2 2.97Å
167L96.2Very high94.4Very high0 Ų044.6 Ų44.60%025%0.251CS..  trans-130.416.3178.7-63.1174000112.3F144 L149 L152 L165 N170 I172 D190 L191 N194F144-L167 HydrophobicContact CB-CD2 4.15Å; L149-L167 HydrophobicContact CD1-CD2 4.48Å; L152-L167 HydrophobicContact CD2-CD1 3.54Å; L165-L167 HydrophobicContact CD1-CD1 4.05Å; L165-L167 HydrophobicContact CD1-CD2 4.14Å; L165-L167 HydrophobicContact CD1-CG 3.8Å; L165-L167 HydrophobicContact CD2-CD1 4.01Å; L165-L167 HydrophobicContact CG-CD1 4.07Å; L165-L167 HydrophobicContact CG-CG 4.06Å; L167-N170 PolarHBondContact O-ND2 3.48Å; L167-I172 HydrophobicContact CB-CD1 4.09Å; L167-I172 HydrophobicContact CD1-CD1 4.23Å; L167-D190 PolarHBondContact N-O 3.1Å; L167-D190 VanDerWaalsContact N-O 3.1Å; L167-L191 HydrophobicContact CB-CD2 4.18Å; L167-N194 PolarHBondContact O-ND2 3.2Å; L167-N194 VanDerWaalsContact O-ND2 3.12Å
168S96.3Very high94.5Very high4 Ų445.4 Ų45.43%0.02826%0.258CS..  trans-65.9159.5178.955.80000113.6S145 C146 N166 N170 D190 G192S145-S168 CarbonylContact C-O 3.22Å; S145-S168 WeakPolarHBondContact CA-O 3.39Å; S145-S168 VanDerWaalsContact CB-O 3.25Å; S145-S168 WeakPolarHBondContact CB-O 3.45Å; C146-S168 PolarHBondContact N-O 3.03Å; N166-S168 PolarHBondContact OD1-N 3.36Å; N166-S168 PolarHBondContact OD1-OG 2.86Å; S168-N170 PolarHBondContact O-ND2 3.34Å; S168-D190 WeakPolarHBondContact CB-OD1 3.22Å; S168-D190 WeakPolarHBondContact CB-OD2 3.18Å; S168-D190 PolarHBondContact N-O 2.98Å; S168-D190 PolarHBondContact OG-OD2 3.07Å; S168-G192 CarbonylContact C-O 3.29Å; S168-G192 WeakPolarHBondContact CA-O 3.35Å; S168-G192 WeakPolarHBondContact CB-O 3.34Å
169N96.5Very high94.6Very high67 Ų6741.3 Ų41.336%0.35824%0.24SC..SBendtrans54.257.2-175.4-64.995.2000111.6C146 N147 G192 N193C146-N169 CarbonylContact C-O 3.58Å; C146-N169 WeakPolarHBondContact CA-O 3.44Å; C146-N169 HydrophobicContact CB-CB 4.23Å; C146-N169 PolarHBondContact N-O 3.04Å; N147-N169 PolarHBondContact N-O 3.19Å; N147-N169 VanDerWaalsContact N-O 3.08Å; N169-G192 PolarHBondContact N-O 3.17Å; N169-N193 WeakPolarHBondContact CA-O 3.44Å; N169-N193 HydrophobicContact CB-CB 4.28Å; N169-N193 PolarHBondContact N-O 2.97Å; N169-N193 WeakPolarHBondContact ND2-CB 3.43Å; N169-N193 VanDerWaalsContact ND2-CG 3.34Å; N169-N193 PolarHBondContact OD1-ND2 3.17Å
170N95.7Very high94.7Very high11 Ų1141.1 Ų41.16%0.05924%0.238CC..SBendtrans-129.7-166.6173-85.2-76.8000109F144 N147 L149 L167 S168 I172 N193 N194F144-N170 PolarHBondContact O-ND2 3.38Å; F144-N170 VanDerWaalsContact O-ND2 3.09Å; N147-N170 WeakPolarHBondContact CA-OD1 3.35Å; N147-N170 WeakPolarHBondContact CB-OD1 3.47Å; N147-N170 PolarHBondContact N-OD1 3.12Å; N147-N170 PolarHBondContact O-OD1 2.64Å; L149-N170 HydrophobicContact CB-CB 4.35Å; L149-N170 VanDerWaalsContact CB-OD1 3.28Å; L149-N170 WeakPolarHBondContact CB-OD1 3.34Å; L149-N170 WeakPolarHBondContact CG-OD1 3.4Å; L149-N170 PolarHBondContact N-OD1 3.24Å; L167-N170 PolarHBondContact O-ND2 3.48Å; S168-N170 PolarHBondContact O-ND2 3.34Å; N170-I172 HydrophobicContact CB-CD1 4.27Å; N170-I172 HydrophobicContact CB-CG1 4.1Å; N170-N193 PolarHBondContact N-O 3.47Å; N170-N194 WeakPolarHBondContact CA-OD1 3.18Å; N170-N194 VanDerWaalsContact CB-OD1 3.26Å; N170-N194 WeakPolarHBondContact CB-OD1 3.34Å; N170-N194 PolarHBondContact O-OD1 3.23Å
171Q95Very high94.9Very high70 Ų7036.7 Ų36.733%0.32722%0.223SC..  trans-115.123.6179.5-58-16360.800112.7L149 T150 A173 N194 K195L149-Q171 CarbonylContact O-C 3.27Å; L149-Q171 VanDerWaalsContact O-C 3.32Å; L149-Q171 WeakPolarHBondContact O-CA 3.22Å; L149-Q171 PolarHBondContact O-N 2.88Å; T150-Q171 HydrophobicContact CG2-CB 4.06Å; Q171-A173 PolarHBondContact O-N 2.93Å; Q171-N194 PolarHBondContact N-OD1 3.33Å; Q171-K195 HydrophobicContact CB-CD 4.35Å
172I94.9Very high95Very high1 Ų138.6 Ų38.61%0.00522%0.221CC..  trans-70.1120.1-172.5-55.9171.7000109.5L149 L152 L167 N170 L174 I175 N194 K195 L196L149-I172 WeakPolarHBondContact O-CG1 3.26Å; L149-I172 PolarHBondContact O-N 3.04Å; L152-I172 HydrophobicContact CD2-CD1 4.44Å; L167-I172 HydrophobicContact CB-CD1 4.09Å; L167-I172 HydrophobicContact CD1-CD1 4.23Å; N170-I172 HydrophobicContact CB-CD1 4.27Å; N170-I172 HydrophobicContact CB-CG1 4.1Å; I172-L174 VanDerWaalsContact CG2-O 3.31Å; I172-L174 WeakPolarHBondContact CG2-O 3.4Å; I172-I175 HydrophobicContact CG2-CD1 3.81Å; I172-N194 WeakPolarHBondContact CB-OD1 3.46Å; I172-N194 PolarHBondContact N-OD1 2.97Å; I172-K195 CarbonylContact O-C 3.11Å; I172-K195 WeakPolarHBondContact O-CA 3.36Å; I172-K195 PolarHBondContact O-N 3.42Å; I172-L196 HydrophobicContact CG2-CD2 4.31Å; I172-L196 WeakPolarHBondContact O-CD2 3.42Å
173A93.6Very high94.9Very high58 Ų5838.7 Ų38.748%0.47922%0.221SC..  trans-98.5-19.1177.600000113.5Q171 K195Q171-A173 PolarHBondContact O-N 2.93Å; A173-K195 HydrophobicContact CB-CB 4.17Å
174L93.3Very high94.8Very high139 Ų13937.4 Ų37.473%0.72822%0.217SC*.  trans-145.2138.3-176.6-175.265.5000111.3I172I172-L174 VanDerWaalsContact CG2-O 3.31Å; I172-L174 WeakPolarHBondContact CG2-O 3.4Å
175I93.8Very high94.7Very high4 Ų440.5 Ų40.52%0.02123%0.226CC..  trans-107.6128.5173.4-57.8-64.7000108.6L152 I172 L179 F180 L191 L196 P200L152-I175 HydrophobicContact CD1-CG2 4.36Å; L152-I175 HydrophobicContact CD2-CD1 4Å; I172-I175 HydrophobicContact CG2-CD1 3.81Å; I175-L179 HydrophobicContact CG2-CD2 4.11Å; I175-F180 HydrophobicContact CG2-CD2 4.48Å; I175-F180 HydrophobicContact CG2-CE2 3.61Å; I175-F180 HydrophobicContact CG2-CZ 3.74Å; I175-L191 HydrophobicContact CD1-CD1 4.15Å; I175-L191 HydrophobicContact CD1-CD2 3.94Å; I175-L191 HydrophobicContact CG1-CD1 4.19Å; I175-L196 HydrophobicContact CD1-CD2 4.4Å; I175-L196 HydrophobicContact CG1-CD1 4.49Å; I175-L196 HydrophobicContact CG1-CD2 3.97Å; I175-P200 HydrophobicContact CB-CG 4.38Å; I175-P200 HydrophobicContact CG2-CG 4.35Å
176S92Very high94.6Very high47 Ų4740.5 Ų40.533%0.32923%0.226SC..  trans-67.4138.6175.8-173.10000111D178S176-D178 PolarHBondContact O-N 2.83Å; S176-D178 PolarHBondContact OG-N 3.16Å; S176-D178 PolarHBondContact OG-OD2 2.75Å
177P93.3Very high94.6Very high47 Ų4743.2 Ų43.231%0.30524%0.239SC..THydrogen-bonded Turntrans-48.8-35.9167.4-31.738.9000114.7L179 F180 V181 Q202P177-L179 VanDerWaalsContact C-N 3.3Å; P177-L179 PolarHBondContact O-N 2.92Å; P177-F180 PolarHBondContact O-N 3.19Å; P177-F180 VanDerWaalsContact O-N 3.13Å; P177-V181 WeakPolarHBondContact O-CG2 3.4Å; P177-V181 PolarHBondContact O-N 3.17Å; P177-Q202 HydrophobicContact CB-CB 4.48Å; P177-Q202 HydrophobicContact CB-CG 3.94Å
178D93.6Very high94.7Very high91 Ų9145.8 Ų45.849%0.48725%0.25SS..THydrogen-bonded Turntrans-67.8-27.9-168.5-54-57.8000113.7S176 F180 V181 Q182S176-D178 PolarHBondContact O-N 2.83Å; S176-D178 PolarHBondContact OG-N 3.16Å; S176-D178 PolarHBondContact OG-OD2 2.75Å; D178-F180 VanDerWaalsContact C-N 3.28Å; D178-F180 PolarHBondContact O-N 3.33Å; D178-V181 WeakPolarHBondContact O-CA 3.44Å; D178-V181 WeakPolarHBondContact O-CB 2.89Å; D178-V181 PolarHBondContact O-N 3.03Å; D178-Q182 PolarHBondContact O-N 2.79Å
179L94.8Very high94.8Very high4 Ų445.7 Ų45.72%0.02125%0.249CC..Hα-helixtrans-55.3-46.3172.4178.664.9000110.5L152 I156 L165 I175 P177 V181 C183L152-L179 HydrophobicContact CD1-CB 4.42Å; L152-L179 HydrophobicContact CD1-CD2 4.11Å; L152-L179 HydrophobicContact CD2-CD2 4.39Å; I156-L179 HydrophobicContact CG2-CD1 4.43Å; L165-L179 HydrophobicContact CD2-CD1 4.15Å; L165-L179 HydrophobicContact CD2-CD2 4.24Å; I175-L179 HydrophobicContact CG2-CD2 4.11Å; P177-L179 VanDerWaalsContact C-N 3.3Å; P177-L179 PolarHBondContact O-N 2.92Å; L179-V181 PolarHBondContact O-N 3.34Å; L179-C183 HydrophobicContact CD1-CB 4.37Å; L179-C183 WeakPolarHBondContact O-CB 3.07Å; L179-C183 PolarHBondContact O-N 3.39Å
180F95.1Very high94.8Very high1 Ų143.4 Ų43.40%0.00424%0.237CC..Hα-helixtrans-85.813.3177.4-50-41.4000113.1I175 P177 D178 L189 P200 Q202 L203 R205 C206I175-F180 HydrophobicContact CG2-CD2 4.48Å; I175-F180 HydrophobicContact CG2-CE2 3.61Å; I175-F180 HydrophobicContact CG2-CZ 3.74Å; P177-F180 PolarHBondContact O-N 3.19Å; P177-F180 VanDerWaalsContact O-N 3.13Å; D178-F180 VanDerWaalsContact C-N 3.28Å; D178-F180 PolarHBondContact O-N 3.33Å; F180-L189 HydrophobicContact CE1-CD2 3.68Å; F180-L189 HydrophobicContact CZ-CD2 3.77Å; F180-P200 HydrophobicContact CD2-CG 3.85Å; F180-P200 HydrophobicContact CE2-CG 3.71Å; F180-Q202 HydrophobicContact CB-CB 4.33Å; F180-L203 HydrophobicContact CD2-CB 4.22Å; F180-L203 HydrophobicContact CD2-CD1 4.42Å; F180-L203 HydrophobicContact CE1-CD1 4.33Å; F180-L203 HydrophobicContact CE2-CB 4.33Å; F180-L203 HydrophobicContact CE2-CD1 4.13Å; F180-L203 HydrophobicContact CZ-CD1 4.09Å; F180-R205 WeakPolarHBondContact O-CB 3.48Å; F180-R205 WeakPolarHBondContact O-CD 3.3Å; F180-C206 VanDerWaalsContact CD1-SG 3.55Å
181V94.9Very high94.9Very high52 Ų5243 Ų4332%0.31524%0.235SC..Hα-helixtrans-107.3-35.5168.7177.40000111.2P177 D178 L179P177-V181 WeakPolarHBondContact O-CG2 3.4Å; P177-V181 PolarHBondContact O-N 3.17Å; D178-V181 WeakPolarHBondContact O-CA 3.44Å; D178-V181 WeakPolarHBondContact O-CB 2.89Å; D178-V181 PolarHBondContact O-N 3.03Å; L179-V181 PolarHBondContact O-N 3.34Å
182Q93.6Very high95Very high84 Ų8439.7 Ų39.739%0.39322%0.22SC..Hα-helixtrans-94.1-44.5178.3-58.7-59.9-40.300113E157 D178 T184E157-Q182 HydrophobicContact CB-CB 4.37Å; E157-Q182 HydrophobicContact CB-CG 4.18Å; E157-Q182 WeakPolarHBondContact O-CB 3.29Å; D178-Q182 PolarHBondContact O-N 2.79Å; Q182-T184 VanDerWaalsContact C-N 3.31Å; Q182-T184 PolarHBondContact O-N 3.39Å; Q182-T184 VanDerWaalsContact O-N 3.12Å
183C93.6Very high95.1Very high2 Ų242.1 Ų42.11%0.01423%0.232CC..  trans-90.761.9-176-550000110.7L179 E185 L186L179-C183 HydrophobicContact CD1-CB 4.37Å; L179-C183 WeakPolarHBondContact O-CB 3.07Å; L179-C183 PolarHBondContact O-N 3.39Å; C183-E185 VanDerWaalsContact C-N 3.3Å; C183-E185 PolarHBondContact O-N 3.07Å; C183-L186 HydrophobicContact CB-CD1 3.74Å; C183-L186 HydrophobicContact CB-CG 3.89Å; C183-L186 WeakPolarHBondContact O-CG 3.14Å
184T93.3Very high95.2Very high47 Ų4739.9 Ų39.929%0.28821%0.212SC..THydrogen-bonded Turntrans-69.3-27.3-178.749.60000113.4Q182 L186Q182-T184 VanDerWaalsContact C-N 3.31Å; Q182-T184 PolarHBondContact O-N 3.39Å; Q182-T184 VanDerWaalsContact O-N 3.12Å; T184-L186 VanDerWaalsContact C-N 3.27Å; T184-L186 PolarHBondContact O-N 2.98Å
185E94.2Very high95.3Very high94 Ų9438.1 Ų38.144%0.43920%0.199SC..THydrogen-bonded Turntrans-84.79.6-176.1-49.7-42.4118.300114.2C183 M187C183-E185 VanDerWaalsContact C-N 3.3Å; C183-E185 PolarHBondContact O-N 3.07Å; E185-M187 PolarHBondContact O-N 2.92Å; E185-M187 VanDerWaalsContact O-N 3.17Å
186L96.5Very high95.4Very high0 Ų038 Ų380%020%0.198CC..  trans-61.1116.4175-76.9171.5000111L162 L165 C183 T184 L209L162-L186 HydrophobicContact CG-CD2 4.33Å; L165-L186 HydrophobicContact CB-CD2 3.99Å; C183-L186 HydrophobicContact CB-CD1 3.74Å; C183-L186 HydrophobicContact CB-CG 3.89Å; C183-L186 WeakPolarHBondContact O-CG 3.14Å; T184-L186 VanDerWaalsContact C-N 3.27Å; T184-L186 PolarHBondContact O-N 2.98Å; L186-L209 WeakPolarHBondContact O-CA 3.13Å
187M97.2Very high95.5Very high85 Ų8542.5 Ų42.542%0.41921%0.214SC..  trans-93.7-32.2176.1-53.7179.6-162.300111.4L163 E185 Q210 Q211L163-M187 HydrophobicContact CD2-CE 4.41Å; L163-M187 PolarHBondContact O-N 3.03Å; E185-M187 PolarHBondContact O-N 2.92Å; E185-M187 VanDerWaalsContact O-N 3.17Å; M187-Q210 PolarHBondContact O-N 3.41Å; M187-Q211 PolarHBondContact O-N 3.08Å
188F97.8Very high95.5Very high54 Ų5445.3 Ų45.324%0.23723%0.226CC..EExtended strand (participates in β ladder)trans-126.2129.2-179.5176-89.6000111.2A164 L165 N166 D190 Q211 I213A164-F188 HydrophobicContact CB-CB 4.35Å; A164-F188 HydrophobicContact CB-CD1 4.39Å; L165-F188 PolarHBondContact N-O 3.04Å; N166-F188 HydrophobicContact CB-CE1 4.42Å; F188-D190 HydrophobicContact CE1-CB 3.74Å; F188-D190 HydrophobicContact CZ-CB 3.66Å; F188-Q211 HydrophobicContact CD2-CB 4.19Å; F188-I213 HydrophobicContact CE2-CD1 4.12Å; F188-I213 HydrophobicContact CZ-CD1 4.33Å
189L97.9Very high95.5Very high1 Ų141.6 Ų41.61%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-138.3115.7174.517964.1000110.6L165 F180 L191 L203 L209 Q211 L212 I213L165-L189 HydrophobicContact CD2-CD1 4.45Å; F180-L189 HydrophobicContact CE1-CD2 3.68Å; F180-L189 HydrophobicContact CZ-CD2 3.77Å; L189-L191 HydrophobicContact CD1-CD1 4.36Å; L189-L191 HydrophobicContact CD1-CD2 4.27Å; L189-L191 HydrophobicContact CD1-CG 4.07Å; L189-L191 HydrophobicContact CD2-CD1 4.05Å; L189-L191 HydrophobicContact CG-CD1 4.19Å; L189-L191 HydrophobicContact CG-CG 4.09Å; L189-L203 HydrophobicContact CD2-CD1 4.43Å; L189-L209 HydrophobicContact CB-CD1 3.79Å; L189-Q211 PolarHBondContact N-O 2.65Å; L189-L212 HydrophobicContact CD2-CD1 4.22Å; L189-I213 PolarHBondContact O-N 3.32Å
190D97.8Very high95.4Very high20 Ų2042.4 Ų42.411%0.10721%0.212CC..EExtended strand (participates in β ladder)trans-112.2118.2173.1-175.814.1000111.6L165 N166 L167 S168 F188 G192 I213L165-D190 PolarHBondContact O-N 3.18Å; N166-D190 PolarHBondContact OD1-OD2 2.97Å; L167-D190 PolarHBondContact N-O 3.1Å; L167-D190 VanDerWaalsContact N-O 3.1Å; S168-D190 WeakPolarHBondContact CB-OD1 3.22Å; S168-D190 WeakPolarHBondContact CB-OD2 3.18Å; S168-D190 PolarHBondContact N-O 2.98Å; S168-D190 PolarHBondContact OG-OD2 3.07Å; F188-D190 HydrophobicContact CE1-CB 3.74Å; F188-D190 HydrophobicContact CZ-CB 3.66Å; D190-G192 PolarHBondContact OD1-N 2.87Å; D190-I213 HydrophobicContact CB-CB 4.29Å; D190-I213 HydrophobicContact CB-CD1 4.34Å; D190-I213 WeakPolarHBondContact OD1-CB 3.12Å; D190-I213 WeakPolarHBondContact OD1-CG2 3.11Å
191L97.2Very high95.3Very high3 Ų345.1 Ų45.12%0.01624%0.235CC..  trans-12512.9177.6-63.6175.3000111.6L167 I175 L189 N194 L196 L199 I213 L214 N217L167-L191 HydrophobicContact CB-CD2 4.18Å; I175-L191 HydrophobicContact CD1-CD1 4.15Å; I175-L191 HydrophobicContact CD1-CD2 3.94Å; I175-L191 HydrophobicContact CG1-CD1 4.19Å; L189-L191 HydrophobicContact CD1-CD1 4.36Å; L189-L191 HydrophobicContact CD1-CD2 4.27Å; L189-L191 HydrophobicContact CD1-CG 4.07Å; L189-L191 HydrophobicContact CD2-CD1 4.05Å; L189-L191 HydrophobicContact CG-CD1 4.19Å; L189-L191 HydrophobicContact CG-CG 4.09Å; L191-N194 PolarHBondContact O-ND2 3.21Å; L191-N194 VanDerWaalsContact O-ND2 3.08Å; L191-L196 HydrophobicContact CB-CD1 3.97Å; L191-L196 HydrophobicContact CD1-CD1 4.12Å; L191-L199 HydrophobicContact CD1-CD2 4.5Å; L191-I213 CarbonylContact C-O 3.59Å; L191-I213 PolarHBondContact N-O 2.9Å; L191-L214 HydrophobicContact CB-CD2 4.29Å; L191-N217 PolarHBondContact O-ND2 2.9Å
192G96.1Very high95.3Very high0 Ų046 Ų460%024%0.235CC..  trans-59.5153.8179.500000113S168 N169 D190 N194 I213 C215S168-G192 CarbonylContact C-O 3.29Å; S168-G192 WeakPolarHBondContact CA-O 3.35Å; S168-G192 WeakPolarHBondContact CB-O 3.34Å; N169-G192 PolarHBondContact N-O 3.17Å; D190-G192 PolarHBondContact OD1-N 2.87Å; G192-N194 PolarHBondContact O-ND2 3.01Å; G192-I213 PolarHBondContact N-O 3.14Å; G192-C215 CarbonylContact C-O 3.59Å; G192-C215 VanDerWaalsContact CA-O 3.26Å; G192-C215 WeakPolarHBondContact CA-O 3.11Å
193N96.9Very high95.4Very high51 Ų5142 Ų4227%0.27322%0.217SC..SBendtrans54.559.9-179.2-48.2-85.4000112.5N169 N170 C215 N216N169-N193 WeakPolarHBondContact CA-O 3.44Å; N169-N193 HydrophobicContact CB-CB 4.28Å; N169-N193 PolarHBondContact N-O 2.97Å; N169-N193 WeakPolarHBondContact ND2-CB 3.43Å; N169-N193 VanDerWaalsContact ND2-CG 3.34Å; N169-N193 PolarHBondContact OD1-ND2 3.17Å; N170-N193 PolarHBondContact N-O 3.47Å; N193-C215 PolarHBondContact N-O 2.95Å; N193-N216 WeakPolarHBondContact CA-O 3.2Å; N193-N216 HydrophobicContact CB-CB 4.49Å; N193-N216 WeakPolarHBondContact OD1-CB 3.35Å; N193-N216 PolarHBondContact OD1-ND2 3.47Å
194N97Very high95.4Very high11 Ų1149.9 Ų49.96%0.05925%0.246CC..SBendtrans-132.6-167.4176.6-89.2-75.6000109.7L167 N170 Q171 I172 L191 G192 L196 N217L167-N194 PolarHBondContact O-ND2 3.2Å; L167-N194 VanDerWaalsContact O-ND2 3.12Å; N170-N194 WeakPolarHBondContact CA-OD1 3.18Å; N170-N194 VanDerWaalsContact CB-OD1 3.26Å; N170-N194 WeakPolarHBondContact CB-OD1 3.34Å; N170-N194 PolarHBondContact O-OD1 3.23Å; Q171-N194 PolarHBondContact N-OD1 3.33Å; I172-N194 WeakPolarHBondContact CB-OD1 3.46Å; I172-N194 PolarHBondContact N-OD1 2.97Å; L191-N194 PolarHBondContact O-ND2 3.21Å; L191-N194 VanDerWaalsContact O-ND2 3.08Å; G192-N194 PolarHBondContact O-ND2 3.01Å; N194-L196 HydrophobicContact CB-CG 4.2Å; N194-N217 WeakPolarHBondContact CA-OD1 3.49Å; N194-N217 VanDerWaalsContact CB-OD1 3.22Å; N194-N217 WeakPolarHBondContact CB-OD1 3.31Å; N194-N217 PolarHBondContact N-OD1 3.18Å; N194-N217 PolarHBondContact O-OD1 3.17Å
195K95.8Very high95.5Very high103 Ų10354.2 Ų54.245%0.44826%0.257SS..  trans-110.129.7-178.3-63.6-179.2-179.8174.30112.2Q171 I172 A173 E197 N217Q171-K195 HydrophobicContact CB-CD 4.35Å; I172-K195 CarbonylContact O-C 3.11Å; I172-K195 WeakPolarHBondContact O-CA 3.36Å; I172-K195 PolarHBondContact O-N 3.42Å; A173-K195 HydrophobicContact CB-CB 4.17Å; K195-E197 PolarHBondContact O-N 2.95Å; K195-N217 PolarHBondContact N-OD1 2.94Å
196L95.7Very high95.5Very high0 Ų049.8 Ų49.80%024%0.237CC..  trans-76.1111.9-174.2-57.5174.9000111.4I172 I175 L191 N194 L199 N217 P218 L219I172-L196 HydrophobicContact CG2-CD2 4.31Å; I172-L196 WeakPolarHBondContact O-CD2 3.42Å; I175-L196 HydrophobicContact CD1-CD2 4.4Å; I175-L196 HydrophobicContact CG1-CD1 4.49Å; I175-L196 HydrophobicContact CG1-CD2 3.97Å; L191-L196 HydrophobicContact CB-CD1 3.97Å; L191-L196 HydrophobicContact CD1-CD1 4.12Å; N194-L196 HydrophobicContact CB-CG 4.2Å; L196-L199 HydrophobicContact CD1-CD2 4.09Å; L196-N217 HydrophobicContact CB-CB 4.29Å; L196-N217 VanDerWaalsContact CB-OD1 3.3Å; L196-N217 WeakPolarHBondContact CB-OD1 3.27Å; L196-N217 WeakPolarHBondContact CG-OD1 3.41Å; L196-N217 PolarHBondContact N-OD1 2.83Å; L196-P218 WeakPolarHBondContact O-CD 3.34Å; L196-L219 HydrophobicContact CB-CD2 4.49Å; L196-L219 VanDerWaalsContact O-CD2 3.23Å; L196-L219 WeakPolarHBondContact O-CD2 3.47Å; L196-L219 WeakPolarHBondContact O-CG 3.29Å
197E93.6Very high95.3Very high142 Ų14253.7 Ų53.766%0.66426%0.263SS*.SBendtrans-81.9-21.8170.4-66.4-179.3-166.600112.6K195 P218K195-E197 PolarHBondContact O-N 2.95Å; E197-P218 HydrophobicContact CG-CG 4.26Å
198N93Very high95.1Very high106 Ų10651.9 Ų51.957%0.56726%0.259SS*.  trans-159172.2-178.7-156.6-3.4000111.8
199L93.4Very high95Very high13 Ų1349.4 Ų49.47%0.06825%0.248CC..  trans-126.2143.8176.9-67.5171.5000111.7L191 L196 L203 L214 L224L191-L199 HydrophobicContact CD1-CD2 4.5Å; L196-L199 HydrophobicContact CD1-CD2 4.09Å; L199-L203 HydrophobicContact CD1-CD2 4.16Å; L199-L214 HydrophobicContact CD1-CD1 3.63Å; L199-L214 HydrophobicContact CD1-CD2 3.79Å; L199-L214 HydrophobicContact CD1-CG 4.37Å; L199-L214 HydrophobicContact CD2-CD2 4.15Å; L199-L224 HydrophobicContact CD1-CD2 4.2Å
200P93.7Very high95Very high21 Ų2153.4 Ų53.414%0.13627%0.267CS..  trans-66.9139.4178.728.4-35.2000111.6I175 F180 Q202 L203I175-P200 HydrophobicContact CB-CG 4.38Å; I175-P200 HydrophobicContact CG2-CG 4.35Å; F180-P200 HydrophobicContact CD2-CG 3.85Å; F180-P200 HydrophobicContact CE2-CG 3.71Å; P200-Q202 PolarHBondContact O-N 3.16Å; P200-L203 WeakPolarHBondContact O-CB 3.17Å; P200-L203 PolarHBondContact O-N 3.25Å; P200-L203 VanDerWaalsContact O-N 3.09Å
201A91.9Very high95Very high59 Ų5956 Ų5649%0.48828%0.278SS..G310 helixtrans-61.6-19.8-179.800000113.3L203 R204A201-L203 PolarHBondContact O-N 2.99Å; A201-R204 WeakPolarHBondContact O-CD 3.33Å; A201-R204 WeakPolarHBondContact O-CG 3.3Å; A201-R204 PolarHBondContact O-N 3.07Å
202Q94.8Very high95.1Very high69 Ų6956 Ų5632%0.32228%0.278SS..G310 helixtrans-62-19.5175-71.181-13.700113.4P177 F180 P200 R204 R205P177-Q202 HydrophobicContact CB-CB 4.48Å; P177-Q202 HydrophobicContact CB-CG 3.94Å; F180-Q202 HydrophobicContact CB-CB 4.33Å; P200-Q202 PolarHBondContact O-N 3.16Å; Q202-R204 PolarHBondContact O-N 2.92Å; Q202-R205 VanDerWaalsContact O-CB 3.3Å; Q202-R205 WeakPolarHBondContact O-CB 3.07Å; Q202-R205 PolarHBondContact O-N 2.94Å
203L95.6Very high95.1Very high1 Ų157.5 Ų57.51%0.00529%0.286CS..G310 helixtrans-49.4-29.9172.3-18062.2000112.7F180 L189 L199 P200 A201 R205 C206 L209 L212 L230F180-L203 HydrophobicContact CD2-CB 4.22Å; F180-L203 HydrophobicContact CD2-CD1 4.42Å; F180-L203 HydrophobicContact CE1-CD1 4.33Å; F180-L203 HydrophobicContact CE2-CB 4.33Å; F180-L203 HydrophobicContact CE2-CD1 4.13Å; F180-L203 HydrophobicContact CZ-CD1 4.09Å; L189-L203 HydrophobicContact CD2-CD1 4.43Å; L199-L203 HydrophobicContact CD1-CD2 4.16Å; P200-L203 WeakPolarHBondContact O-CB 3.17Å; P200-L203 PolarHBondContact O-N 3.25Å; P200-L203 VanDerWaalsContact O-N 3.09Å; A201-L203 PolarHBondContact O-N 2.99Å; L203-R205 PolarHBondContact O-N 2.89Å; L203-C206 PolarHBondContact O-N 3.41Å; L203-L209 HydrophobicContact CD1-CD2 4.11Å; L203-L212 HydrophobicContact CD2-CD2 4.06Å; L203-L230 HydrophobicContact CD2-CD1 4.35Å; L203-L230 HydrophobicContact CG-CD1 4.31Å
204R94.1Very high95.2Very high168 Ų16855 Ų5563%0.63427%0.273SS*.G310 helixtrans-58.2-7.9172.879.3-170.6-178.6168.70.8115.5A201 Q202 A229A201-R204 WeakPolarHBondContact O-CD 3.33Å; A201-R204 WeakPolarHBondContact O-CG 3.3Å; A201-R204 PolarHBondContact O-N 3.07Å; Q202-R204 PolarHBondContact O-N 2.92Å; R204-A229 HydrophobicContact CB-CB 4.17Å
205R94.9Very high95.1Very high137 Ų13755.3 Ų55.352%0.51728%0.275SS..G310 helixtrans-87.3-22.3175.3-74.5-173.7138.7141-4.3113.6F180 Q202 L203 C207F180-R205 WeakPolarHBondContact O-CB 3.48Å; F180-R205 WeakPolarHBondContact O-CD 3.3Å; Q202-R205 VanDerWaalsContact O-CB 3.3Å; Q202-R205 WeakPolarHBondContact O-CB 3.07Å; Q202-R205 PolarHBondContact O-N 2.94Å; L203-R205 PolarHBondContact O-N 2.89Å; R205-C207 PolarHBondContact O-N 3.47Å
206C94.5Very high95.2Very high1 Ų154.1 Ų54.11%0.00727%0.274CS..  trans-77.363.1175.4-58.70000109.1F180 L203 S208 L209F180-C206 VanDerWaalsContact CD1-SG 3.55Å; L203-C206 PolarHBondContact O-N 3.41Å; C206-S208 PolarHBondContact O-N 2.99Å; C206-L209 HydrophobicContact CB-CB 3.97Å; C206-L209 WeakPolarHBondContact O-CB 3.29Å; C206-L209 PolarHBondContact O-N 2.99Å
207C92Very high95.2Very high83 Ų8354.2 Ų54.256%0.56127%0.274SS*.THydrogen-bonded Turntrans-63.2-21.4-176.3-640000112.6R205 Q232R205-C207 PolarHBondContact O-N 3.47Å; C207-Q232 WeakPolarHBondContact O-CG 3.33Å
208S93.4Very high95.3Very high46 Ų4650 Ų5032%0.32226%0.26SS..THydrogen-bonded Turntrans-85.5-3.2176.1-52.30000113.9C206 Q210C206-S208 PolarHBondContact O-N 2.99Å; S208-Q210 PolarHBondContact O-N 3.05Å
209L96.9Very high95.3Very high2 Ų245 Ų451%0.0123%0.233CC..  trans-73.1116.1-174.1-169.971.8000111.7L186 L189 L203 C206 L212 L230L186-L209 WeakPolarHBondContact O-CA 3.13Å; L189-L209 HydrophobicContact CB-CD1 3.79Å; L203-L209 HydrophobicContact CD1-CD2 4.11Å; C206-L209 HydrophobicContact CB-CB 3.97Å; C206-L209 WeakPolarHBondContact O-CB 3.29Å; C206-L209 PolarHBondContact O-N 2.99Å; L209-L212 HydrophobicContact CD2-CB 4.25Å; L209-L212 HydrophobicContact CD2-CD1 4.3Å; L209-L230 HydrophobicContact CD2-CD1 4.28Å
210Q97.4Very high95.2Very high86 Ų8649 Ų4940%0.40225%0.247SC..  trans-96.1-33.7-177.2-68.2166.7-4.300112.3M187 S208 E234 V235M187-Q210 PolarHBondContact O-N 3.41Å; S208-Q210 PolarHBondContact O-N 3.05Å; Q210-E234 PolarHBondContact O-N 3.28Å; Q210-V235 PolarHBondContact O-N 3.16Å
211Q97.9Very high95Very high75 Ų7555.9 Ų55.935%0.3528%0.277SS..EExtended strand (participates in β ladder)trans-127.9129.6-177.2-53.9-170.912.100111.3M187 F188 L189 V235M187-Q211 PolarHBondContact O-N 3.08Å; F188-Q211 HydrophobicContact CD2-CB 4.19Å; L189-Q211 PolarHBondContact N-O 2.65Å; Q211-V235 HydrophobicContact CB-CB 4.25Å; Q211-V235 HydrophobicContact CG-CB 4.04Å; Q211-V235 HydrophobicContact CG-CG2 4.07Å
212L97.9Very high95Very high1 Ų153.2 Ų53.21%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-131.2109.8177.9179.257.3000110.3L189 L203 L209 L214 V227 L230 L233 V235 L236 N237L189-L212 HydrophobicContact CD2-CD1 4.22Å; L203-L212 HydrophobicContact CD2-CD2 4.06Å; L209-L212 HydrophobicContact CD2-CB 4.25Å; L209-L212 HydrophobicContact CD2-CD1 4.3Å; L212-L214 HydrophobicContact CD1-CD1 4.24Å; L212-L214 HydrophobicContact CD1-CD2 4.07Å; L212-L214 HydrophobicContact CD1-CG 3.99Å; L212-L214 HydrophobicContact CD2-CD1 3.95Å; L212-L214 HydrophobicContact CG-CD1 3.86Å; L212-L214 HydrophobicContact CG-CG 3.95Å; L212-V227 HydrophobicContact CD2-CG1 4.46Å; L212-V227 HydrophobicContact CD2-CG2 4.39Å; L212-L230 HydrophobicContact CD2-CD1 3.88Å; L212-L233 HydrophobicContact CB-CD1 3.65Å; L212-V235 PolarHBondContact N-O 2.94Å; L212-L236 HydrophobicContact CD2-CD1 4.45Å; L212-N237 PolarHBondContact O-N 3.45Å
213I97.9Very high94.7Very high32 Ų3253.6 Ų53.616%0.16426%0.256CS..EExtended strand (participates in β ladder)trans-106.7118.3-178.8-56175.2000109.3F188 L189 D190 L191 G192 N237F188-I213 HydrophobicContact CE2-CD1 4.12Å; F188-I213 HydrophobicContact CZ-CD1 4.33Å; L189-I213 PolarHBondContact O-N 3.32Å; D190-I213 HydrophobicContact CB-CB 4.29Å; D190-I213 HydrophobicContact CB-CD1 4.34Å; D190-I213 WeakPolarHBondContact OD1-CB 3.12Å; D190-I213 WeakPolarHBondContact OD1-CG2 3.11Å; L191-I213 CarbonylContact C-O 3.59Å; L191-I213 PolarHBondContact N-O 2.9Å; G192-I213 PolarHBondContact N-O 3.14Å; I213-N237 HydrophobicContact CG2-CB 4.3Å
214L97.4Very high94.5Very high0 Ų053.9 Ų53.90%026%0.258CS..  trans-130.58.3-174-65.7170.7000113L191 L199 L212 N217 L219 N237 L238 T241L191-L214 HydrophobicContact CB-CD2 4.29Å; L199-L214 HydrophobicContact CD1-CD1 3.63Å; L199-L214 HydrophobicContact CD1-CD2 3.79Å; L199-L214 HydrophobicContact CD1-CG 4.37Å; L199-L214 HydrophobicContact CD2-CD2 4.15Å; L212-L214 HydrophobicContact CD1-CD1 4.24Å; L212-L214 HydrophobicContact CD1-CD2 4.07Å; L212-L214 HydrophobicContact CD1-CG 3.99Å; L212-L214 HydrophobicContact CD2-CD1 3.95Å; L212-L214 HydrophobicContact CG-CD1 3.86Å; L212-L214 HydrophobicContact CG-CG 3.95Å; L214-N217 PolarHBondContact O-ND2 2.98Å; L214-L219 HydrophobicContact CB-CD1 4.31Å; L214-N237 PolarHBondContact N-O 3.05Å; L214-L238 HydrophobicContact CB-CD2 4.13Å; L214-L238 HydrophobicContact CD1-CD2 4.08Å; L214-T241 WeakPolarHBondContact O-CG2 3.27Å
215C96.4Very high94.3Very high16 Ų1654.9 Ų54.911%0.10826%0.262CS..  trans-55.4154.1-174.957.70000113.1G192 N193 N217 N237 S239G192-C215 CarbonylContact C-O 3.59Å; G192-C215 VanDerWaalsContact CA-O 3.26Å; G192-C215 WeakPolarHBondContact CA-O 3.11Å; N193-C215 PolarHBondContact N-O 2.95Å; C215-N217 PolarHBondContact O-N 2.62Å; C215-N217 PolarHBondContact O-ND2 3.14Å; C215-N217 VanDerWaalsContact O-ND2 3.13Å; C215-N237 WeakPolarHBondContact CB-OD1 3.47Å; C215-N237 PolarHBondContact N-O 3.31Å; C215-S239 CarbonylContact C-O 3.24Å; C215-S239 WeakPolarHBondContact CA-O 3.44Å; C215-S239 VanDerWaalsContact CB-O 3.25Å; C215-S239 WeakPolarHBondContact CB-O 3.35Å
216N96.6Very high94.1Very high78 Ų7849.5 Ų49.542%0.41725%0.245SC..SBendtrans50.851.1177.9-58.6-22.5000113.1N193 S239 G240N193-N216 WeakPolarHBondContact CA-O 3.2Å; N193-N216 HydrophobicContact CB-CB 4.49Å; N193-N216 WeakPolarHBondContact OD1-CB 3.35Å; N193-N216 PolarHBondContact OD1-ND2 3.47Å; N216-S239 PolarHBondContact N-O 2.9Å; N216-G240 WeakPolarHBondContact CA-O 3.31Å
217N96.8Very high94.1Very high3 Ų349.6 Ų49.62%0.01625%0.245CC..  trans-126.8143.1170.5-81.1-86000109.1L191 N194 K195 L196 L214 C215 L219 T241L191-N217 PolarHBondContact O-ND2 2.9Å; N194-N217 WeakPolarHBondContact CA-OD1 3.49Å; N194-N217 VanDerWaalsContact CB-OD1 3.22Å; N194-N217 WeakPolarHBondContact CB-OD1 3.31Å; N194-N217 PolarHBondContact N-OD1 3.18Å; N194-N217 PolarHBondContact O-OD1 3.17Å; K195-N217 PolarHBondContact N-OD1 2.94Å; L196-N217 HydrophobicContact CB-CB 4.29Å; L196-N217 VanDerWaalsContact CB-OD1 3.3Å; L196-N217 WeakPolarHBondContact CB-OD1 3.27Å; L196-N217 WeakPolarHBondContact CG-OD1 3.41Å; L196-N217 PolarHBondContact N-OD1 2.83Å; L214-N217 PolarHBondContact O-ND2 2.98Å; C215-N217 PolarHBondContact O-N 2.62Å; C215-N217 PolarHBondContact O-ND2 3.14Å; C215-N217 VanDerWaalsContact O-ND2 3.13Å; N217-L219 HydrophobicContact CB-CD1 4.04Å; N217-L219 HydrophobicContact CB-CG 3.93Å; N217-L219 PolarHBondContact O-N 3.22Å; N217-T241 WeakPolarHBondContact O-CA 3.34Å
218P94.5Very high94Very high54 Ų5446.4 Ų46.435%0.35122%0.223SC..  trans-75.345.5-173.834-38.8000113.7L196 E197 R220L196-P218 WeakPolarHBondContact O-CD 3.34Å; E197-P218 HydrophobicContact CG-CG 4.26Å; P218-R220 PolarHBondContact O-N 3.44Å
219L94.4Very high94Very high0 Ų046.6 Ų46.60%023%0.228CC..G310 helixtrans-71.313.6-172.4-68.9168.2000114L196 L214 N217 H221 A222 T241 R243L196-L219 HydrophobicContact CB-CD2 4.49Å; L196-L219 VanDerWaalsContact O-CD2 3.23Å; L196-L219 WeakPolarHBondContact O-CD2 3.47Å; L196-L219 WeakPolarHBondContact O-CG 3.29Å; L214-L219 HydrophobicContact CB-CD1 4.31Å; N217-L219 HydrophobicContact CB-CD1 4.04Å; N217-L219 HydrophobicContact CB-CG 3.93Å; N217-L219 PolarHBondContact O-N 3.22Å; L219-H221 PolarHBondContact O-N 3.29Å; L219-A222 HydrophobicContact CB-CB 4.2Å; L219-A222 HydrophobicContact CD2-CB 4.04Å; L219-A222 WeakPolarHBondContact O-CA 3.47Å; L219-A222 WeakPolarHBondContact O-CB 3.38Å; L219-A222 PolarHBondContact O-N 3.13Å; L219-T241 HydrophobicContact CD1-CG2 4.07Å; L219-R243 VanDerWaalsContact CB-NH2 3.31Å; L219-R243 PolarHBondContact O-NH2 3.48Å
220R90.8Very high93.9Very high98 Ų9846.7 Ų46.737%0.3723%0.228SC..G310 helixtrans-50.1-36.2-168.9176160.9154.6-167.3-8.7114.7P218 E242 N247P218-R220 PolarHBondContact O-N 3.44Å; R220-E242 HydrophobicContact CB-CB 3.8Å; R220-E242 WeakPolarHBondContact CD-OE2 3.14Å; R220-E242 HydrophobicContact CG-CB 4.22Å; R220-E242 IonicContact CZ-OE2 2.69Å; R220-E242 IonicContact NE-OE2 3.29Å; R220-E242 IonicContact NH1-OE2 2.74Å; R220-E242 PolarHBondContact NH1-OE2 2.98Å; R220-N247 PolarHBondContact O-ND2 2.97Å
221H89.7Confident93.6Very high165 Ų16547.1 Ų47.176%0.76423%0.229SC*.G310 helixtrans-90-12.9178.8-61.6-73.1000113.5L219 Q223L219-H221 PolarHBondContact O-N 3.29Å; H221-Q223 PolarHBondContact O-N 2.89Å
222A90.8Very high93.4Very high3 Ų347.5 Ų47.53%0.02523%0.23CC..  trans-77.2121178.700000112L219 L224 R243L219-A222 HydrophobicContact CB-CB 4.2Å; L219-A222 HydrophobicContact CD2-CB 4.04Å; L219-A222 WeakPolarHBondContact O-CA 3.47Å; L219-A222 WeakPolarHBondContact O-CB 3.38Å; L219-A222 PolarHBondContact O-N 3.13Å; A222-L224 VanDerWaalsContact C-N 3.33Å; A222-L224 HydrophobicContact CB-CD2 4.17Å; A222-L224 HydrophobicContact CB-CG 4.37Å; A222-R243 PolarHBondContact O-NH1 3.31Å
223Q88.5Confident93.4Very high76 Ų7647.5 Ų47.536%0.35523%0.23SC..  trans-85.5-1.3178.3-68.8-87-5700113.5H221 R225 D246H221-Q223 PolarHBondContact O-N 2.89Å; Q223-R225 HydrophobicContact CB-CG 4.27Å; Q223-R225 PolarHBondContact O-N 2.88Å; Q223-D246 PolarHBondContact NE2-O 2.75Å
224L91.6Very high93.3Very high7 Ų749.7 Ų49.74%0.03724%0.24CC..  trans47.326.2172.1-60.6177.3000117.2L199 A222 S226 V227 L238 P249L199-L224 HydrophobicContact CD1-CD2 4.2Å; A222-L224 VanDerWaalsContact C-N 3.33Å; A222-L224 HydrophobicContact CB-CD2 4.17Å; A222-L224 HydrophobicContact CB-CG 4.37Å; L224-S226 PolarHBondContact O-N 3.25Å; L224-V227 HydrophobicContact CB-CG2 4.04Å; L224-V227 HydrophobicContact CD2-CG2 4.43Å; L224-V227 WeakPolarHBondContact O-CB 3.34Å; L224-V227 PolarHBondContact O-N 3.39Å; L224-L238 HydrophobicContact CD1-CD1 4.05Å; L224-L238 HydrophobicContact CD1-CD2 3.66Å; L224-P249 HydrophobicContact CB-CG 4.09Å
225R90Very high93.4Very high190 Ų19051 Ų5172%0.71725%0.248SC*.THydrogen-bonded Turntrans-60.2-17.8-178.1-59.2-176.6-172.8171.12.3114.8Q223 T228Q223-R225 HydrophobicContact CB-CG 4.27Å; Q223-R225 PolarHBondContact O-N 2.88Å; R225-T228 PolarHBondContact O-OG1 2.75Å
226S90.5Very high93.4Very high23 Ų2350.3 Ų50.316%0.16124%0.243CC..THydrogen-bonded Turntrans-74.2-26.4173.444.60000113L224 T228 A229L224-S226 PolarHBondContact O-N 3.25Å; S226-T228 PolarHBondContact O-N 2.57Å; S226-A229 WeakPolarHBondContact O-CB 3.43Å; S226-A229 PolarHBondContact O-N 3.24Å
227V94.3Very high93.5Very high3 Ų348.3 Ų48.32%0.01823%0.233CC..G310 helixtrans-68.6-35.5-177.5-176.60000111L212 L224 A229 L230 L233 L236 L255L212-V227 HydrophobicContact CD2-CG1 4.46Å; L212-V227 HydrophobicContact CD2-CG2 4.39Å; L224-V227 HydrophobicContact CB-CG2 4.04Å; L224-V227 HydrophobicContact CD2-CG2 4.43Å; L224-V227 WeakPolarHBondContact O-CB 3.34Å; L224-V227 PolarHBondContact O-N 3.39Å; V227-A229 PolarHBondContact O-N 3.29Å; V227-L230 HydrophobicContact CG1-CD1 4.46Å; V227-L230 WeakPolarHBondContact O-CB 3.3Å; V227-L230 PolarHBondContact O-N 3.36Å; V227-L233 HydrophobicContact CG1-CD2 3.81Å; V227-L236 HydrophobicContact CG1-CD1 4.14Å; V227-L236 HydrophobicContact CG1-CD2 3.99Å; V227-L255 HydrophobicContact CG1-CD1 4.34Å
228T91.1Very high93.5Very high16 Ų1648.3 Ų48.310%0.09823%0.233CC..G310 helixtrans-66.3-9.3179.165.90000113.9R225 S226 K231 P249 E251R225-T228 PolarHBondContact O-OG1 2.75Å; S226-T228 PolarHBondContact O-N 2.57Å; T228-K231 WeakPolarHBondContact O-CE 3.2Å; T228-K231 PolarHBondContact O-NZ 2.94Å; T228-P249 HydrophobicContact CG2-CB 4.31Å; T228-E251 HydrophobicContact CG2-CB 4.35Å; T228-E251 WeakPolarHBondContact CG2-O 3.03Å
229A91.9Very high93.6Very high50 Ų5046.5 Ų46.541%0.41322%0.221SC..G310 helixtrans-84-17.7171.900000113.7R204 S226 V227 K231R204-A229 HydrophobicContact CB-CB 4.17Å; S226-A229 WeakPolarHBondContact O-CB 3.43Å; S226-A229 PolarHBondContact O-N 3.24Å; V227-A229 PolarHBondContact O-N 3.29Å; A229-K231 VanDerWaalsContact C-N 3.32Å; A229-K231 PolarHBondContact O-N 3.24Å
230L95.2Very high93.6Very high4 Ų447.5 Ų47.52%0.02123%0.231CC..  trans-77.677.7-177.8-60176.3000110.8L203 L209 L212 V227 Q232 L233L203-L230 HydrophobicContact CD2-CD1 4.35Å; L203-L230 HydrophobicContact CG-CD1 4.31Å; L209-L230 HydrophobicContact CD2-CD1 4.28Å; L212-L230 HydrophobicContact CD2-CD1 3.88Å; V227-L230 HydrophobicContact CG1-CD1 4.46Å; V227-L230 WeakPolarHBondContact O-CB 3.3Å; V227-L230 PolarHBondContact O-N 3.36Å; L230-Q232 PolarHBondContact O-N 3.4Å; L230-Q232 VanDerWaalsContact O-N 3.12Å; L230-L233 HydrophobicContact CB-CB 3.91Å; L230-L233 HydrophobicContact CD1-CD1 4.49Å; L230-L233 HydrophobicContact CD1-CD2 4.38Å; L230-L233 VanDerWaalsContact O-CB 3.24Å; L230-L233 WeakPolarHBondContact O-CB 3.11Å; L230-L233 PolarHBondContact O-N 3.1Å
231K91.8Very high93.9Very high96 Ų9642.8 Ų42.842%0.41721%0.214SC..THydrogen-bonded Turntrans-70.3-5.1-173.5-60.5-47.1-167.4-170.30115.4T228 A229 K254 R257T228-K231 WeakPolarHBondContact O-CE 3.2Å; T228-K231 PolarHBondContact O-NZ 2.94Å; A229-K231 VanDerWaalsContact C-N 3.32Å; A229-K231 PolarHBondContact O-N 3.24Å; K231-K254 PolarHBondContact NZ-O 2.87Å; K231-R257 WeakPolarHBondContact O-CD 3.31Å; K231-R257 PolarHBondContact O-NH1 3.32Å
232Q93.8Very high94Very high82 Ų8238.3 Ų38.338%0.38319%0.193SC..THydrogen-bonded Turntrans-102.84.8170.6-54.2-63.815.600113.4C207 L230 E234 R257C207-Q232 WeakPolarHBondContact O-CG 3.33Å; L230-Q232 PolarHBondContact O-N 3.4Å; L230-Q232 VanDerWaalsContact O-N 3.12Å; Q232-E234 PolarHBondContact O-N 2.99Å; Q232-R257 VanDerWaalsContact OE1-NE 3.15Å
233L96.7Very high94.2Very high1 Ų138.1 Ų38.11%0.00519%0.192CC..  trans-73116.6-176.6-167.771.7000111.4L212 V227 L230 V235 L236 L255 R257L212-L233 HydrophobicContact CB-CD1 3.65Å; V227-L233 HydrophobicContact CG1-CD2 3.81Å; L230-L233 HydrophobicContact CB-CB 3.91Å; L230-L233 HydrophobicContact CD1-CD1 4.49Å; L230-L233 HydrophobicContact CD1-CD2 4.38Å; L230-L233 VanDerWaalsContact O-CB 3.24Å; L230-L233 WeakPolarHBondContact O-CB 3.11Å; L230-L233 PolarHBondContact O-N 3.1Å; L233-V235 WeakPolarHBondContact CD1-O 3.35Å; L233-L236 HydrophobicContact CD2-CB 4.02Å; L233-L236 HydrophobicContact CD2-CD1 4.25Å; L233-L236 HydrophobicContact CD2-CD2 4.42Å; L233-L236 HydrophobicContact CD2-CG 4.46Å; L233-L255 HydrophobicContact CD2-CD1 4.33Å; L233-R257 CarbonylContact O-C 3.56Å
234E97.2Very high94.4Very high79 Ų7938.5 Ų38.537%0.36919%0.19SC..  trans-100.9-32.4178.7-64.2-173.5173.700111.9Q210 Q232 I259 E260Q210-E234 PolarHBondContact O-N 3.28Å; Q232-E234 PolarHBondContact O-N 2.99Å; E234-I259 HydrophobicContact CB-CB 4.46Å; E234-I259 HydrophobicContact CB-CD1 4.24Å; E234-I259 HydrophobicContact CG-CD1 4.15Å; E234-I259 WeakPolarHBondContact O-CA 3.1Å; E234-I259 PolarHBondContact O-N 3.08Å; E234-E260 PolarHBondContact O-N 2.75Å
235V98Very high94.3Very high27 Ų2742.3 Ų42.316%0.16421%0.21CC..EExtended strand (participates in β ladder)trans-124.8121.2-178.2-178.30000110.9Q210 Q211 L212 L233 E260Q210-V235 PolarHBondContact O-N 3.16Å; Q211-V235 HydrophobicContact CB-CB 4.25Å; Q211-V235 HydrophobicContact CG-CB 4.04Å; Q211-V235 HydrophobicContact CG-CG2 4.07Å; L212-V235 PolarHBondContact N-O 2.94Å; L233-V235 WeakPolarHBondContact CD1-O 3.35Å; V235-E260 HydrophobicContact CB-CB 4.49Å; V235-E260 HydrophobicContact CG1-CB 4.25Å; V235-E260 HydrophobicContact CG2-CB 4.21Å; V235-E260 HydrophobicContact CG2-CG 4.15Å
236L97.5Very high94.2Very high2 Ų238.7 Ų38.71%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-126.1114.6174.4179.157.1000110.8L212 V227 L233 L238 L252 L255 L258 E260 L261 D262L212-L236 HydrophobicContact CD2-CD1 4.45Å; V227-L236 HydrophobicContact CG1-CD1 4.14Å; V227-L236 HydrophobicContact CG1-CD2 3.99Å; L233-L236 HydrophobicContact CD2-CB 4.02Å; L233-L236 HydrophobicContact CD2-CD1 4.25Å; L233-L236 HydrophobicContact CD2-CD2 4.42Å; L233-L236 HydrophobicContact CD2-CG 4.46Å; L236-L238 HydrophobicContact CD1-CD1 4.34Å; L236-L238 HydrophobicContact CD1-CD2 4.3Å; L236-L238 HydrophobicContact CD1-CG 4.04Å; L236-L238 HydrophobicContact CD2-CD1 4.03Å; L236-L238 HydrophobicContact CG-CD1 4.11Å; L236-L238 HydrophobicContact CG-CG 4.07Å; L236-L252 HydrophobicContact CD2-CD1 4.19Å; L236-L255 HydrophobicContact CD2-CD1 4.32Å; L236-L258 HydrophobicContact CB-CD1 3.75Å; L236-E260 PolarHBondContact N-O 3.05Å; L236-L261 HydrophobicContact CB-CD1 4.38Å; L236-L261 HydrophobicContact CD2-CD1 4.23Å; L236-L261 HydrophobicContact CG-CD1 4.29Å; L236-L261 WeakPolarHBondContact O-CA 3.44Å; L236-D262 PolarHBondContact O-N 3.12Å
237N97.4Very high94.2Very high36 Ų3637.7 Ų37.719%0.19320%0.198CC..EExtended strand (participates in β ladder)trans-108.5112.9176.1-169.6-19.8000111.6L212 I213 L214 C215 S239 D262L212-N237 PolarHBondContact O-N 3.45Å; I213-N237 HydrophobicContact CG2-CB 4.3Å; L214-N237 PolarHBondContact N-O 3.05Å; C215-N237 WeakPolarHBondContact CB-OD1 3.47Å; C215-N237 PolarHBondContact N-O 3.31Å; N237-S239 VanDerWaalsContact OD1-CB 3.23Å; N237-S239 WeakPolarHBondContact OD1-CB 3.23Å; N237-S239 PolarHBondContact OD1-N 3.36Å; N237-D262 HydrophobicContact CB-CB 4.32Å
238L96.9Very high94.1Very high3 Ų337.7 Ų37.72%0.01620%0.197CC..  trans-120.623.2177.4-65.1173.9000111.9L214 L224 L236 T241 D262 L263 N266L214-L238 HydrophobicContact CB-CD2 4.13Å; L214-L238 HydrophobicContact CD1-CD2 4.08Å; L224-L238 HydrophobicContact CD1-CD1 4.05Å; L224-L238 HydrophobicContact CD1-CD2 3.66Å; L236-L238 HydrophobicContact CD1-CD1 4.34Å; L236-L238 HydrophobicContact CD1-CD2 4.3Å; L236-L238 HydrophobicContact CD1-CG 4.04Å; L236-L238 HydrophobicContact CD2-CD1 4.03Å; L236-L238 HydrophobicContact CG-CD1 4.11Å; L236-L238 HydrophobicContact CG-CG 4.07Å; L238-T241 HydrophobicContact CB-CG2 4.46Å; L238-T241 HydrophobicContact CD2-CG2 4.47Å; L238-T241 WeakPolarHBondContact O-CG2 3.2Å; L238-T241 PolarHBondContact O-OG1 3.42Å; L238-D262 CarbonylContact C-O 3.51Å; L238-D262 WeakPolarHBondContact CA-O 3.36Å; L238-D262 PolarHBondContact N-O 2.75Å; L238-L263 HydrophobicContact CB-CD2 4.08Å; L238-L263 HydrophobicContact CD1-CD2 4.43Å; L238-N266 PolarHBondContact O-ND2 3.41Å; L238-N266 VanDerWaalsContact O-ND2 3.1Å
239S96.7Very high94Very high15 Ų1537.3 Ų37.311%0.10520%0.195CC..THydrogen-bonded Turntrans-58.9135.1174.3-177.50000111.3C215 N216 N237 T241 D262 S264C215-S239 CarbonylContact C-O 3.24Å; C215-S239 WeakPolarHBondContact CA-O 3.44Å; C215-S239 VanDerWaalsContact CB-O 3.25Å; C215-S239 WeakPolarHBondContact CB-O 3.35Å; N216-S239 PolarHBondContact N-O 2.9Å; N237-S239 VanDerWaalsContact OD1-CB 3.23Å; N237-S239 WeakPolarHBondContact OD1-CB 3.23Å; N237-S239 PolarHBondContact OD1-N 3.36Å; S239-T241 VanDerWaalsContact C-N 3.33Å; S239-T241 PolarHBondContact O-N 2.79Å; S239-D262 PolarHBondContact N-O 2.8Å; S239-S264 CarbonylContact C-O 3.51Å; S239-S264 WeakPolarHBondContact CA-O 3.06Å; S239-S264 WeakPolarHBondContact CB-OG 3.43Å; S239-S264 PolarHBondContact OG-O 3.21Å; S239-S264 PolarHBondContact OG-OG 3.04Å
240G95.6Very high93.7Very high21 Ų2141.1 Ų41.122%0.21621%0.209CC..THydrogen-bonded Turntrans64.930.3176.900000115.1N216 S264 C265N216-G240 WeakPolarHBondContact CA-O 3.31Å; G240-S264 PolarHBondContact N-O 3.21Å; G240-C265 VanDerWaalsContact CA-O 3.3Å; G240-C265 WeakPolarHBondContact CA-O 3.43Å
241T95.6Very high93.5Very high0 Ų045.4 Ų45.40%023%0.228CC..SBendtrans-107.924.4-177.565.30000113.7L214 N217 L219 L238 S239 R243 N266L214-T241 WeakPolarHBondContact O-CG2 3.27Å; N217-T241 WeakPolarHBondContact O-CA 3.34Å; L219-T241 HydrophobicContact CD1-CG2 4.07Å; L238-T241 HydrophobicContact CB-CG2 4.46Å; L238-T241 HydrophobicContact CD2-CG2 4.47Å; L238-T241 WeakPolarHBondContact O-CG2 3.2Å; L238-T241 PolarHBondContact O-OG1 3.42Å; S239-T241 VanDerWaalsContact C-N 3.33Å; S239-T241 PolarHBondContact O-N 2.79Å; T241-R243 VanDerWaalsContact C-N 3.27Å; T241-R243 PolarHBondContact O-N 2.98Å; T241-R243 PolarHBondContact O-NE 3.05Å; T241-R243 PolarHBondContact O-NH2 3.18Å; T241-R243 PolarHBondContact OG1-NE 3.19Å; T241-R243 VanDerWaalsContact OG1-NE 3.15Å; T241-N266 PolarHBondContact N-OD1 3.26Å; T241-N266 VanDerWaalsContact N-OD1 3.11Å
242E93.6Very high93.5Very high70 Ų7041 Ų4133%0.32721%0.209SC..  trans51.141.5-175.2-71-175.9-93.100113.2R220 N247 N266R220-E242 HydrophobicContact CB-CB 3.8Å; R220-E242 WeakPolarHBondContact CD-OE2 3.14Å; R220-E242 HydrophobicContact CG-CB 4.22Å; R220-E242 IonicContact CZ-OE2 2.69Å; R220-E242 IonicContact NE-OE2 3.29Å; R220-E242 IonicContact NH1-OE2 2.74Å; R220-E242 PolarHBondContact NH1-OE2 2.98Å; E242-N247 PolarHBondContact O-ND2 3.03Å; E242-N266 PolarHBondContact N-OD1 3.32Å
243R94.9Very high93.3Very high0 Ų040.4 Ų40.40%021%0.209CC..  trans-66.5142.2174.2-65.1-55.894.3-174.74.1111.8L219 A222 T241 N247 I248 L263 N266 L267 L268L219-R243 VanDerWaalsContact CB-NH2 3.31Å; L219-R243 PolarHBondContact O-NH2 3.48Å; A222-R243 PolarHBondContact O-NH1 3.31Å; T241-R243 VanDerWaalsContact C-N 3.27Å; T241-R243 PolarHBondContact O-N 2.98Å; T241-R243 PolarHBondContact O-NE 3.05Å; T241-R243 PolarHBondContact O-NH2 3.18Å; T241-R243 PolarHBondContact OG1-NE 3.19Å; T241-R243 VanDerWaalsContact OG1-NE 3.15Å; R243-N247 VanDerWaalsContact CA-OD1 3.25Å; R243-N247 WeakPolarHBondContact CA-OD1 3.49Å; R243-N247 PolarHBondContact NH1-O 2.83Å; R243-I248 HydrophobicContact CB-CD1 3.97Å; R243-I248 HydrophobicContact CG-CD1 3.83Å; R243-L263 HydrophobicContact CG-CD2 3.95Å; R243-N266 HydrophobicContact CB-CB 3.93Å; R243-N266 PolarHBondContact N-OD1 3.43Å; R243-L267 CarbonylContact O-C 3.45Å; R243-L267 WeakPolarHBondContact O-CA 3.37Å; R243-L267 PolarHBondContact O-N 2.91Å; R243-L268 HydrophobicContact CB-CD2 4.41Å
244R91.5Very high93.1Very high84 Ų8444.3 Ų44.332%0.31723%0.226SC..  trans-144.3167.1176-64.8176.5179.8-158.4-5.9108.3D246 N247 I248 L267R244-D246 WeakPolarHBondContact CB-OD1 3.15Å; R244-D246 PolarHBondContact O-N 3.3Å; R244-D246 VanDerWaalsContact O-N 3.1Å; R244-N247 PolarHBondContact N-OD1 2.9Å; R244-N247 PolarHBondContact O-N 3.05Å; R244-N247 VanDerWaalsContact O-N 3.17Å; R244-N247 PolarHBondContact O-OD1 3.03Å; R244-N247 VanDerWaalsContact O-OD1 3.11Å; R244-I248 WeakPolarHBondContact O-CG1 3.12Å; R244-I248 PolarHBondContact O-N 3.17Å; R244-L267 HydrophobicContact CG-CB 4.05Å; R244-L267 HydrophobicContact CG-CD1 4.47Å
245L89.2Confident92.9Very high86 Ų8640.8 Ų40.845%0.4521%0.209SC..THydrogen-bonded Turntrans-59.9-22.6178.9-63.4176.7000113.8L268 P272L245-L268 HydrophobicContact CD2-CD2 4.46Å; L245-P272 HydrophobicContact CD2-CB 4.3Å; L245-P272 HydrophobicContact CD2-CG 4.07Å
246D87.8Confident92.5Very high114 Ų11446.3 Ų46.361%0.6123%0.234SC*.THydrogen-bonded Turntrans-91.1-6.8179.961.5-57.8000115.4Q223 R244Q223-D246 PolarHBondContact NE2-O 2.75Å; R244-D246 WeakPolarHBondContact CB-OD1 3.15Å; R244-D246 PolarHBondContact O-N 3.3Å; R244-D246 VanDerWaalsContact O-N 3.1Å
247N91.9Very high92.3Very high3 Ų352 Ų522%0.01626%0.255CS..THydrogen-bonded Turntrans-128.910.6179.675.87.8000115R220 E242 R243 R244R220-N247 PolarHBondContact O-ND2 2.97Å; E242-N247 PolarHBondContact O-ND2 3.03Å; R243-N247 VanDerWaalsContact CA-OD1 3.25Å; R243-N247 WeakPolarHBondContact CA-OD1 3.49Å; R243-N247 PolarHBondContact NH1-O 2.83Å; R244-N247 PolarHBondContact N-OD1 2.9Å; R244-N247 PolarHBondContact O-N 3.05Å; R244-N247 VanDerWaalsContact O-N 3.17Å; R244-N247 PolarHBondContact O-OD1 3.03Å; R244-N247 VanDerWaalsContact O-OD1 3.11Å
248I92Very high92.2Very high3 Ų350.3 Ų50.32%0.01525%0.246CC..SBendtrans-75.2139.3162.3-68.4-73.4000108.7R243 R244 N250 L252 L263 L268 P272R243-I248 HydrophobicContact CB-CD1 3.97Å; R243-I248 HydrophobicContact CG-CD1 3.83Å; R244-I248 WeakPolarHBondContact O-CG1 3.12Å; R244-I248 PolarHBondContact O-N 3.17Å; I248-N250 PolarHBondContact O-N 3.03Å; I248-N250 PolarHBondContact O-OD1 3.12Å; I248-L252 HydrophobicContact CG2-CD2 4.49Å; I248-L263 HydrophobicContact CD1-CD1 4.3Å; I248-L263 HydrophobicContact CD1-CD2 3.7Å; I248-L268 HydrophobicContact CG1-CD2 4.42Å; I248-P272 HydrophobicContact CB-CG 4.44Å; I248-P272 HydrophobicContact CD1-CG 4.47Å; I248-P272 HydrophobicContact CG1-CG 3.9Å; I248-P272 HydrophobicContact CG2-CB 4.09Å; I248-P272 HydrophobicContact CG2-CG 4.24Å
249P88.7Confident92.2Very high8 Ų852.4 Ų52.45%0.05226%0.257CS..  trans-62.8119.5176.8-24.135000111.9L224 T228 E251 L252L224-P249 HydrophobicContact CB-CG 4.09Å; T228-P249 HydrophobicContact CG2-CB 4.31Å; P249-E251 PolarHBondContact O-N 3.32Å; P249-L252 HydrophobicContact CB-CB 4.41Å; P249-L252 WeakPolarHBondContact O-CB 3.28Å; P249-L252 PolarHBondContact O-N 3.05Å
250N86.3Confident92.2Very high130 Ų13054.6 Ų54.670%0.69527%0.265SS*.THydrogen-bonded Turntrans-59.2-17.7177.9-65.97.3000113.9I248I248-N250 PolarHBondContact O-N 3.03Å; I248-N250 PolarHBondContact O-OD1 3.12Å
251E89.7Confident92.3Very high93 Ų9353.7 Ų53.744%0.43526%0.255SS..THydrogen-bonded Turntrans-110.725.1179.4-50.6-162.614400112.9T228 P249 D253 K254T228-E251 HydrophobicContact CG2-CB 4.35Å; T228-E251 WeakPolarHBondContact CG2-O 3.03Å; P249-E251 PolarHBondContact O-N 3.32Å; E251-D253 WeakPolarHBondContact CA-OD1 3.42Å; E251-D253 PolarHBondContact O-N 3.25Å; E251-K254 HydrophobicContact CB-CD 3.99Å; E251-K254 HydrophobicContact CB-CG 4.21Å; E251-K254 VanDerWaalsContact CD-CE 3.46Å; E251-K254 WeakPolarHBondContact O-CB 3.38Å; E251-K254 PolarHBondContact O-N 3.45Å; E251-K254 VanDerWaalsContact O-N 3.16Å; E251-K254 IonicContact OE1-NZ 3.43Å; E251-K254 PolarHBondContact OE1-NZ 3.16Å; E251-K254 WeakPolarHBondContact OE2-CE 3.5Å; E251-K254 IonicContact OE2-NZ 3.87Å; E251-K254 PolarHBondContact OE2-NZ 3.33Å
252L93.2Very high92.4Very high4 Ų455.1 Ų55.12%0.02126%0.263CS..G310 helixtrans-62.1-29.8179.5-170.968.1000112.1L236 I248 P249 K254 L255 L261 P274 V275 L278L236-L252 HydrophobicContact CD2-CD1 4.19Å; I248-L252 HydrophobicContact CG2-CD2 4.49Å; P249-L252 HydrophobicContact CB-CB 4.41Å; P249-L252 WeakPolarHBondContact O-CB 3.28Å; P249-L252 PolarHBondContact O-N 3.05Å; L252-K254 PolarHBondContact O-N 3.27Å; L252-K254 VanDerWaalsContact O-N 3.17Å; L252-L255 HydrophobicContact CD1-CD1 3.88Å; L252-L255 WeakPolarHBondContact O-CB 3.42Å; L252-L255 PolarHBondContact O-N 3.24Å; L252-L261 HydrophobicContact CD2-CD2 4.02Å; L252-P274 HydrophobicContact CB-CB 3.99Å; L252-V275 HydrophobicContact CD2-CG2 3.93Å; L252-L278 HydrophobicContact CD2-CD1 4.29Å; L252-L278 HydrophobicContact CG-CD1 4.47Å
253D89.9Confident92.5Very high69 Ų6951.8 Ų51.837%0.36925%0.247SC..G310 helixtrans-54.5-26.9173.268.2-44000113.5E251 L255E251-D253 WeakPolarHBondContact CA-OD1 3.42Å; E251-D253 PolarHBondContact O-N 3.25Å; D253-L255 PolarHBondContact O-N 2.93Å
254K90.8Very high92.6Very high84 Ų8452.1 Ų52.137%0.36525%0.25SC..G310 helixtrans-72.6-0.2175.6-56.2-172.5-173172.60114.3K231 E251 L252 E256K231-K254 PolarHBondContact NZ-O 2.87Å; E251-K254 HydrophobicContact CB-CD 3.99Å; E251-K254 HydrophobicContact CB-CG 4.21Å; E251-K254 VanDerWaalsContact CD-CE 3.46Å; E251-K254 WeakPolarHBondContact O-CB 3.38Å; E251-K254 PolarHBondContact O-N 3.45Å; E251-K254 VanDerWaalsContact O-N 3.16Å; E251-K254 IonicContact OE1-NZ 3.43Å; E251-K254 PolarHBondContact OE1-NZ 3.16Å; E251-K254 WeakPolarHBondContact OE2-CE 3.5Å; E251-K254 IonicContact OE2-NZ 3.87Å; E251-K254 PolarHBondContact OE2-NZ 3.33Å; L252-K254 PolarHBondContact O-N 3.27Å; L252-K254 VanDerWaalsContact O-N 3.17Å; K254-E256 VanDerWaalsContact C-N 3.31Å; K254-E256 PolarHBondContact O-N 3.21Å
255L93.9Very high92.9Very high4 Ų451.1 Ų51.12%0.02126%0.255CS..  trans-88.369.2170.8-68.3-178.6000110.7V227 L233 L236 L252 D253 R257 L258V227-L255 HydrophobicContact CG1-CD1 4.34Å; L233-L255 HydrophobicContact CD2-CD1 4.33Å; L236-L255 HydrophobicContact CD2-CD1 4.32Å; L252-L255 HydrophobicContact CD1-CD1 3.88Å; L252-L255 WeakPolarHBondContact O-CB 3.42Å; L252-L255 PolarHBondContact O-N 3.24Å; D253-L255 PolarHBondContact O-N 2.93Å; L255-R257 PolarHBondContact O-N 3.06Å; L255-L258 HydrophobicContact CB-CB 3.99Å; L255-L258 HydrophobicContact CB-CD2 4.47Å; L255-L258 HydrophobicContact CD1-CD2 4.35Å; L255-L258 VanDerWaalsContact O-CB 3.29Å; L255-L258 WeakPolarHBondContact O-CB 3.48Å; L255-L258 PolarHBondContact O-N 3.26Å
256E89.2Confident93.2Very high144 Ų14447.4 Ų47.467%0.67324%0.235SC*.THydrogen-bonded Turntrans-59.7-21.6-175.1-66.2170.9-14000114.3K254 N280K254-E256 VanDerWaalsContact C-N 3.31Å; K254-E256 PolarHBondContact O-N 3.21Å; E256-N280 WeakPolarHBondContact O-CB 3.45Å; E256-N280 PolarHBondContact O-ND2 3.12Å
257R93.2Very high93.4Very high121 Ų12145.2 Ų45.246%0.45722%0.223SC..THydrogen-bonded Turntrans-91.60.5174.9-74.2-161.7178.784.2-3.4114.9K231 Q232 L233 L255 I259K231-R257 WeakPolarHBondContact O-CD 3.31Å; K231-R257 PolarHBondContact O-NH1 3.32Å; Q232-R257 VanDerWaalsContact OE1-NE 3.15Å; L233-R257 CarbonylContact O-C 3.56Å; L255-R257 PolarHBondContact O-N 3.06Å; R257-I259 PolarHBondContact O-N 2.79Å; R257-I259 VanDerWaalsContact O-N 3.1Å
258L95.8Very high93.5Very high1 Ų145 Ų451%0.00522%0.223CC..  trans-68.1113.3-174.5-166.964.1000111.3L236 L255 E260 L261 L278 L281L236-L258 HydrophobicContact CB-CD1 3.75Å; L255-L258 HydrophobicContact CB-CB 3.99Å; L255-L258 HydrophobicContact CB-CD2 4.47Å; L255-L258 HydrophobicContact CD1-CD2 4.35Å; L255-L258 VanDerWaalsContact O-CB 3.29Å; L255-L258 WeakPolarHBondContact O-CB 3.48Å; L255-L258 PolarHBondContact O-N 3.26Å; L258-E260 WeakPolarHBondContact CD1-O 3.19Å; L258-L261 HydrophobicContact CD2-CB 4.11Å; L258-L261 HydrophobicContact CD2-CD1 4.37Å; L258-L261 HydrophobicContact CD2-CD2 4.34Å; L258-L278 HydrophobicContact CD2-CD1 4.14Å; L258-L278 HydrophobicContact CD2-CD2 4.42Å; L258-L281 HydrophobicContact CD2-CD1 4.48Å; L258-L281 HydrophobicContact CG-CD1 4.21Å; L258-L281 WeakPolarHBondContact O-CA 3.26Å
259I96.5Very high93.4Very high47 Ų4747.9 Ų47.924%0.24124%0.24CC..  trans-96.8-42.9-178.6-72172.5000110E234 R257 R282 K283E234-I259 HydrophobicContact CB-CB 4.46Å; E234-I259 HydrophobicContact CB-CD1 4.24Å; E234-I259 HydrophobicContact CG-CD1 4.15Å; E234-I259 WeakPolarHBondContact O-CA 3.1Å; E234-I259 PolarHBondContact O-N 3.08Å; R257-I259 PolarHBondContact O-N 2.79Å; R257-I259 VanDerWaalsContact O-N 3.1Å; I259-R282 HydrophobicContact CG2-CB 3.99Å; I259-R282 HydrophobicContact CG2-CG 4.3Å; I259-R282 CarbonylContact O-C 3.49Å; I259-R282 WeakPolarHBondContact O-CA 3.5Å; I259-R282 PolarHBondContact O-N 3.42Å; I259-K283 PolarHBondContact O-N 3.25Å
260E97.7Very high93.5Very high61 Ų6151.4 Ų51.429%0.28526%0.255SS..EExtended strand (participates in β ladder)trans-123.2130.3178.4-50.7-150.5141.100112.5E234 V235 L236 L258 K283E234-E260 PolarHBondContact O-N 2.75Å; V235-E260 HydrophobicContact CB-CB 4.49Å; V235-E260 HydrophobicContact CG1-CB 4.25Å; V235-E260 HydrophobicContact CG2-CB 4.21Å; V235-E260 HydrophobicContact CG2-CG 4.15Å; L236-E260 PolarHBondContact N-O 3.05Å; L258-E260 WeakPolarHBondContact CD1-O 3.19Å; E260-K283 CarbonylContact C-O 3.38Å; E260-K283 WeakPolarHBondContact CA-O 3.32Å; E260-K283 HydrophobicContact CB-CB 4.14Å; E260-K283 HydrophobicContact CB-CG 4.28Å; E260-K283 HydrophobicContact CG-CB 3.88Å; E260-K283 HydrophobicContact CG-CG 4.24Å; E260-K283 VanDerWaalsContact OE1-CD 3.28Å; E260-K283 WeakPolarHBondContact OE1-CD 3.48Å; E260-K283 IonicContact OE1-NZ 2.67Å; E260-K283 PolarHBondContact OE1-NZ 2.89Å; E260-K283 IonicContact OE2-NZ 3.47Å; E260-K283 PolarHBondContact OE2-NZ 2.88Å
261L97.2Very high93.7Very high2 Ų245.5 Ų45.51%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-129.7121.1174.6178.157.5000110L236 L252 L258 L263 V275 L278 L281 K283 L284 N285L236-L261 HydrophobicContact CB-CD1 4.38Å; L236-L261 HydrophobicContact CD2-CD1 4.23Å; L236-L261 HydrophobicContact CG-CD1 4.29Å; L236-L261 WeakPolarHBondContact O-CA 3.44Å; L252-L261 HydrophobicContact CD2-CD2 4.02Å; L258-L261 HydrophobicContact CD2-CB 4.11Å; L258-L261 HydrophobicContact CD2-CD1 4.37Å; L258-L261 HydrophobicContact CD2-CD2 4.34Å; L261-L263 HydrophobicContact CD1-CD1 4.39Å; L261-L263 HydrophobicContact CD1-CG 4.06Å; L261-L263 HydrophobicContact CD2-CD1 3.88Å; L261-L263 HydrophobicContact CD2-CG 4.4Å; L261-L263 HydrophobicContact CG-CD1 4.08Å; L261-L263 HydrophobicContact CG-CG 4.05Å; L261-V275 HydrophobicContact CD2-CG1 4.22Å; L261-V275 HydrophobicContact CD2-CG2 4.24Å; L261-L278 HydrophobicContact CD2-CD1 3.72Å; L261-L281 HydrophobicContact CB-CD1 3.73Å; L261-L281 HydrophobicContact CB-CD2 4.4Å; L261-K283 PolarHBondContact N-O 3.01Å; L261-L284 HydrophobicContact CB-CD1 4.35Å; L261-L284 HydrophobicContact CD2-CD1 4.23Å; L261-L284 HydrophobicContact CG-CD1 4.26Å; L261-L284 WeakPolarHBondContact O-CA 3.13Å; L261-N285 PolarHBondContact O-N 3.14Å
262D97.2Very high93.7Very high29 Ų2941.4 Ų41.416%0.15520%0.204CC..EExtended strand (participates in β ladder)trans-110.1119.9171.7-157.2-39.3000111.2L236 N237 L238 S239 S264 N285L236-D262 PolarHBondContact O-N 3.12Å; N237-D262 HydrophobicContact CB-CB 4.32Å; L238-D262 CarbonylContact C-O 3.51Å; L238-D262 WeakPolarHBondContact CA-O 3.36Å; L238-D262 PolarHBondContact N-O 2.75Å; S239-D262 PolarHBondContact N-O 2.8Å; D262-S264 VanDerWaalsContact OD1-CB 3.28Å; D262-S264 WeakPolarHBondContact OD1-CB 3.29Å; D262-S264 PolarHBondContact OD1-N 3Å; D262-S264 PolarHBondContact OD1-OG 2.66Å; D262-N285 HydrophobicContact CB-CB 4.31Å; D262-N285 VanDerWaalsContact CG-ND2 3.33Å; D262-N285 PolarHBondContact OD1-ND2 2.86Å; D262-N285 PolarHBondContact OD2-ND2 2.76Å
263L96.8Very high93.5Very high0 Ų047.1 Ų47.10%023%0.231CC..  trans-126.420.3177.9-72.3172.5000111.1L238 R243 I248 L261 N266 L268 V275 N285 L286 N289L238-L263 HydrophobicContact CB-CD2 4.08Å; L238-L263 HydrophobicContact CD1-CD2 4.43Å; R243-L263 HydrophobicContact CG-CD2 3.95Å; I248-L263 HydrophobicContact CD1-CD1 4.3Å; I248-L263 HydrophobicContact CD1-CD2 3.7Å; L261-L263 HydrophobicContact CD1-CD1 4.39Å; L261-L263 HydrophobicContact CD1-CG 4.06Å; L261-L263 HydrophobicContact CD2-CD1 3.88Å; L261-L263 HydrophobicContact CD2-CG 4.4Å; L261-L263 HydrophobicContact CG-CD1 4.08Å; L261-L263 HydrophobicContact CG-CG 4.05Å; L263-N266 VanDerWaalsContact C-ND2 3.27Å; L263-N266 PolarHBondContact O-ND2 3.3Å; L263-L268 HydrophobicContact CB-CD1 4.22Å; L263-L268 HydrophobicContact CD1-CD1 4.46Å; L263-V275 HydrophobicContact CD1-CG2 3.97Å; L263-N285 CarbonylContact C-O 3.46Å; L263-N285 WeakPolarHBondContact CA-O 3.3Å; L263-N285 PolarHBondContact N-O 3.08Å; L263-L286 HydrophobicContact CB-CD2 3.86Å; L263-L286 HydrophobicContact CD1-CD2 4.29Å; L263-N289 PolarHBondContact O-ND2 3.22Å
264S96.5Very high93.4Very high7 Ų745 Ų455%0.04922%0.221CC..  trans-66.5165.7177.5580000113.8S239 G240 D262 N266 N285 A287S239-S264 CarbonylContact C-O 3.51Å; S239-S264 WeakPolarHBondContact CA-O 3.06Å; S239-S264 WeakPolarHBondContact CB-OG 3.43Å; S239-S264 PolarHBondContact OG-O 3.21Å; S239-S264 PolarHBondContact OG-OG 3.04Å; G240-S264 PolarHBondContact N-O 3.21Å; D262-S264 VanDerWaalsContact OD1-CB 3.28Å; D262-S264 WeakPolarHBondContact OD1-CB 3.29Å; D262-S264 PolarHBondContact OD1-N 3Å; D262-S264 PolarHBondContact OD1-OG 2.66Å; S264-N266 VanDerWaalsContact C-N 3.31Å; S264-N266 PolarHBondContact O-N 2.94Å; S264-N266 PolarHBondContact O-ND2 3.04Å; S264-N285 WeakPolarHBondContact CB-ND2 3.24Å; S264-N285 PolarHBondContact N-O 3.03Å; S264-N285 PolarHBondContact OG-ND2 2.85Å; S264-A287 CarbonylContact C-O 3.44Å; S264-A287 WeakPolarHBondContact CA-O 3.04Å; S264-A287 WeakPolarHBondContact CB-O 3.4Å
265C96.9Very high93.5Very high63 Ų6341 Ų4143%0.42620%0.203SC..SBendtrans55.941.9177-59.60000113.1G240 A287 H288G240-C265 VanDerWaalsContact CA-O 3.3Å; G240-C265 WeakPolarHBondContact CA-O 3.43Å; C265-A287 PolarHBondContact N-O 3.4Å; C265-H288 CarbonylContact C-O 3.51Å; C265-H288 WeakPolarHBondContact CA-O 3.17Å; C265-H288 HydrophobicContact CB-CB 4.43Å; C265-H288 PolarHBondContact N-O 3.34Å
266N95.3Very high93.2Very high8 Ų841.4 Ų41.44%0.04321%0.205CC..SBendtrans-127.1-176.4-176.6-77.3-57.7000110.9L238 T241 E242 R243 L263 S264 L268 H288 N289L238-N266 PolarHBondContact O-ND2 3.41Å; L238-N266 VanDerWaalsContact O-ND2 3.1Å; T241-N266 PolarHBondContact N-OD1 3.26Å; T241-N266 VanDerWaalsContact N-OD1 3.11Å; E242-N266 PolarHBondContact N-OD1 3.32Å; R243-N266 HydrophobicContact CB-CB 3.93Å; R243-N266 PolarHBondContact N-OD1 3.43Å; L263-N266 VanDerWaalsContact C-ND2 3.27Å; L263-N266 PolarHBondContact O-ND2 3.3Å; S264-N266 VanDerWaalsContact C-N 3.31Å; S264-N266 PolarHBondContact O-N 2.94Å; S264-N266 PolarHBondContact O-ND2 3.04Å; N266-L268 HydrophobicContact CB-CG 4.42Å; N266-H288 PolarHBondContact N-O 3.03Å; N266-N289 WeakPolarHBondContact CA-OD1 3.28Å; N266-N289 WeakPolarHBondContact CB-OD1 3.22Å; N266-N289 PolarHBondContact O-OD1 3.42Å
267L93Very high93.2Very high68 Ų6837.5 Ų37.536%0.35619%0.194SC..  trans-108.443.2-175-57.5173.7000111R243 R244R243-L267 CarbonylContact O-C 3.45Å; R243-L267 WeakPolarHBondContact O-CA 3.37Å; R243-L267 PolarHBondContact O-N 2.91Å; R244-L267 HydrophobicContact CG-CB 4.05Å; R244-L267 HydrophobicContact CG-CD1 4.47Å
268L93.5Very high93.1Very high0 Ų032 Ų320%017%0.174CC..  trans-86.7113.9178.6-57.6175.9000110.3R243 L245 I248 L263 N266 P272 L286 N289 E290 L291R243-L268 HydrophobicContact CB-CD2 4.41Å; L245-L268 HydrophobicContact CD2-CD2 4.46Å; I248-L268 HydrophobicContact CG1-CD2 4.42Å; L263-L268 HydrophobicContact CB-CD1 4.22Å; L263-L268 HydrophobicContact CD1-CD1 4.46Å; N266-L268 HydrophobicContact CB-CG 4.42Å; L268-P272 HydrophobicContact CD2-CG 4.33Å; L268-L286 HydrophobicContact CD1-CD2 3.85Å; L268-N289 HydrophobicContact CB-CB 4.41Å; L268-N289 WeakPolarHBondContact CB-OD1 3.27Å; L268-N289 WeakPolarHBondContact CG-OD1 3.18Å; L268-N289 PolarHBondContact N-OD1 3.33Å; L268-E290 CarbonylContact O-C 3.49Å; L268-E290 WeakPolarHBondContact O-CA 3.46Å; L268-E290 PolarHBondContact O-N 3.09Å; L268-L291 HydrophobicContact CB-CD2 4.33Å; L268-L291 WeakPolarHBondContact O-CD2 3.35Å; L268-L291 PolarHBondContact O-N 3.47Å
269T89.5Confident92.7Very high62 Ų6239 Ų3938%0.3820%0.204SC..SBendtrans-84.5-20.1173.453.90000113.1E290T269-E290 HydrophobicContact CG2-CB 3.97Å
270K91.3Very high92.5Very high83 Ų8339.6 Ų39.636%0.36121%0.208SC..SBendtrans-144.4165.1171.4-63.3-160.1-178.2-152.50110.4L291 D293K270-L291 VanDerWaalsContact C-CD2 3.4Å; K270-L291 VanDerWaalsContact CA-CD2 3.48Å; K270-D293 WeakPolarHBondContact CE-OD2 3.07Å; K270-D293 IonicContact NZ-OD2 2.68Å; K270-D293 PolarHBondContact NZ-OD2 3.36Å
271I91.4Very high92.3Very high5 Ų536.7 Ų36.73%0.02619%0.194CC..  trans-73.8132.1172.8-56.8-169.7000109.7V275 L276 L286 L291 L294 W301I271-V275 HydrophobicContact CG2-CB 4.21Å; I271-V275 HydrophobicContact CG2-CG1 4.18Å; I271-L276 HydrophobicContact CG2-CD2 4.01Å; I271-L276 HydrophobicContact CG2-CG 4.2Å; I271-L286 HydrophobicContact CD1-CD1 3.61Å; I271-L286 HydrophobicContact CG1-CD1 3.95Å; I271-L291 HydrophobicContact CG1-CD1 4.4Å; I271-L291 HydrophobicContact CG1-CD2 4.25Å; I271-L294 HydrophobicContact CD1-CD2 3.49Å; I271-L294 VanDerWaalsContact CD1-CD2 3.49Å; I271-L294 HydrophobicContact CG1-CD2 3.9Å; I271-W301 HydrophobicContact CD1-CH2 3.8Å; I271-W301 HydrophobicContact CD1-CZ2 4.47Å; I271-W301 HydrophobicContact CG2-CH2 4.46Å; I271-W301 HydrophobicContact CG2-CZ2 4.14Å
272P89.6Confident92.3Very high7 Ų741.6 Ų41.65%0.04521%0.213CC..  trans-69.7141.9179.3-15.928.2000113.7L245 I248 L268 V275 L276L245-P272 HydrophobicContact CD2-CB 4.3Å; L245-P272 HydrophobicContact CD2-CG 4.07Å; I248-P272 HydrophobicContact CB-CG 4.44Å; I248-P272 HydrophobicContact CD1-CG 4.47Å; I248-P272 HydrophobicContact CG1-CG 3.9Å; I248-P272 HydrophobicContact CG2-CB 4.09Å; I248-P272 HydrophobicContact CG2-CG 4.24Å; L268-P272 HydrophobicContact CD2-CG 4.33Å; P272-V275 HydrophobicContact CB-CG2 4.07Å; P272-V275 HydrophobicContact CG-CG2 4Å; P272-V275 WeakPolarHBondContact O-CA 3.05Å; P272-V275 WeakPolarHBondContact O-CB 3.29Å; P272-V275 PolarHBondContact O-N 2.72Å; P272-L276 PolarHBondContact O-N 3.22Å
273E87.8Confident92.3Very high125 Ų12543 Ų4358%0.58422%0.218SC*.Hα-helixtrans-53.2-40.9176.9-60.4-63.7152.400114.6V275 L276 S277E273-V275 PolarHBondContact O-N 3.47Å; E273-L276 PolarHBondContact O-N 3.4Å; E273-S277 PolarHBondContact O-N 3.42Å; E273-S277 PolarHBondContact O-OG 3.17Å
274P88.4Confident92.2Very high24 Ų2443 Ų4316%0.15622%0.218CC..Hα-helixtrans-64-26.6175.1-22.534.7000113.4L252L252-P274 HydrophobicContact CB-CB 3.99Å
275V93Very high92.3Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-75.3-39.8177179.60000110.4L252 L261 L263 I271 P272 E273 S277 L278 L284 W301L252-V275 HydrophobicContact CD2-CG2 3.93Å; L261-V275 HydrophobicContact CD2-CG1 4.22Å; L261-V275 HydrophobicContact CD2-CG2 4.24Å; L263-V275 HydrophobicContact CD1-CG2 3.97Å; I271-V275 HydrophobicContact CG2-CB 4.21Å; I271-V275 HydrophobicContact CG2-CG1 4.18Å; P272-V275 HydrophobicContact CB-CG2 4.07Å; P272-V275 HydrophobicContact CG-CG2 4Å; P272-V275 WeakPolarHBondContact O-CA 3.05Å; P272-V275 WeakPolarHBondContact O-CB 3.29Å; P272-V275 PolarHBondContact O-N 2.72Å; E273-V275 PolarHBondContact O-N 3.47Å; V275-S277 PolarHBondContact O-N 3.35Å; V275-L278 HydrophobicContact CG1-CD1 4.36Å; V275-L278 WeakPolarHBondContact O-CB 3.2Å; V275-L278 PolarHBondContact O-N 3.03Å; V275-L278 VanDerWaalsContact O-N 3.16Å; V275-L284 HydrophobicContact CG1-CD1 4.2Å; V275-L284 HydrophobicContact CG1-CD2 4.12Å; V275-W301 HydrophobicContact CG1-CZ2 4.25Å; V275-W301 PolarHBondContact O-NE1 2.65Å
276L87Confident92.2Very high12 Ų1240.5 Ų40.56%0.06320%0.199CC..Hα-helixtrans-58.2-32174.2-64.8173.4000111.8I271 P272 E273 L278 L297 D300 W301I271-L276 HydrophobicContact CG2-CD2 4.01Å; I271-L276 HydrophobicContact CG2-CG 4.2Å; P272-L276 PolarHBondContact O-N 3.22Å; E273-L276 PolarHBondContact O-N 3.4Å; L276-L278 VanDerWaalsContact C-N 3.3Å; L276-L278 PolarHBondContact O-N 3.06Å; L276-L297 HydrophobicContact CD2-CD1 4.4Å; L276-D300 HydrophobicContact CB-CB 4.43Å; L276-D300 VanDerWaalsContact O-CB 3.23Å; L276-D300 WeakPolarHBondContact O-CB 3.27Å; L276-W301 HydrophobicContact CD2-CH2 4.31Å; L276-W301 HydrophobicContact CD2-CZ2 3.82Å
277S88.7Confident92.3Very high62 Ų6240.3 Ų40.343%0.43420%0.199SC..THydrogen-bonded Turntrans-74.3-6.7179-63.40000115.8E273 V275 K279E273-S277 PolarHBondContact O-N 3.42Å; E273-S277 PolarHBondContact O-OG 3.17Å; V275-S277 PolarHBondContact O-N 3.35Å; S277-K279 PolarHBondContact O-N 3.19Å
278L91.6Very high92.4Very high6 Ų641.3 Ų41.33%0.03120%0.201CC..  trans-77.776.1-174-70.5170.3000113.9L252 L258 L261 V275 L276 N280 L281L252-L278 HydrophobicContact CD2-CD1 4.29Å; L252-L278 HydrophobicContact CG-CD1 4.47Å; L258-L278 HydrophobicContact CD2-CD1 4.14Å; L258-L278 HydrophobicContact CD2-CD2 4.42Å; L261-L278 HydrophobicContact CD2-CD1 3.72Å; V275-L278 HydrophobicContact CG1-CD1 4.36Å; V275-L278 WeakPolarHBondContact O-CB 3.2Å; V275-L278 PolarHBondContact O-N 3.03Å; V275-L278 VanDerWaalsContact O-N 3.16Å; L276-L278 VanDerWaalsContact C-N 3.3Å; L276-L278 PolarHBondContact O-N 3.06Å; L278-N280 PolarHBondContact O-N 3.18Å; L278-N280 VanDerWaalsContact O-N 3.1Å; L278-L281 HydrophobicContact CB-CB 4.11Å; L278-L281 HydrophobicContact CB-CD2 4.37Å; L278-L281 HydrophobicContact CD1-CD2 4.27Å; L278-L281 WeakPolarHBondContact O-CB 3.18Å; L278-L281 PolarHBondContact O-N 3.1Å
279K88.1Confident92.5Very high147 Ų14741.8 Ų41.864%0.63920%0.204SC*.THydrogen-bonded Turntrans-60.1-21.7-174.7-65.8170.6-172.2171.30116.3S277S277-K279 PolarHBondContact O-N 3.19Å
280N91.5Very high92.6Very high60 Ų6042.8 Ų42.832%0.32120%0.204SC..THydrogen-bonded Turntrans-99.3-3.8-177-76.7-37.4000114.6E256 L278 R282 K303E256-N280 WeakPolarHBondContact O-CB 3.45Å; E256-N280 PolarHBondContact O-ND2 3.12Å; L278-N280 PolarHBondContact O-N 3.18Å; L278-N280 VanDerWaalsContact O-N 3.1Å; N280-R282 PolarHBondContact O-N 2.93Å; N280-K303 WeakPolarHBondContact OD1-CE 3.42Å; N280-K303 PolarHBondContact OD1-NZ 3.07Å
281L94.8Very high92.7Very high0 Ų038.8 Ų38.80%019%0.187CC..  trans-63.5127.2-175.5-164.166000111.1L258 L261 L278 L284 K303 L304L258-L281 HydrophobicContact CD2-CD1 4.48Å; L258-L281 HydrophobicContact CG-CD1 4.21Å; L258-L281 WeakPolarHBondContact O-CA 3.26Å; L261-L281 HydrophobicContact CB-CD1 3.73Å; L261-L281 HydrophobicContact CB-CD2 4.4Å; L278-L281 HydrophobicContact CB-CB 4.11Å; L278-L281 HydrophobicContact CB-CD2 4.37Å; L278-L281 HydrophobicContact CD1-CD2 4.27Å; L278-L281 WeakPolarHBondContact O-CB 3.18Å; L278-L281 PolarHBondContact O-N 3.1Å; L281-L284 HydrophobicContact CD2-CB 3.8Å; L281-L284 HydrophobicContact CD2-CD1 4.16Å; L281-L284 HydrophobicContact CD2-CD2 4.16Å; L281-L284 HydrophobicContact CD2-CG 4.26Å; L281-K303 CarbonylContact O-C 3.58Å; L281-K303 VanDerWaalsContact O-C 3.29Å; L281-L304 HydrophobicContact CB-CD1 4.23Å; L281-L304 HydrophobicContact CD2-CD1 4.13Å; L281-L304 HydrophobicContact CG-CD1 3.92Å; L281-L304 WeakPolarHBondContact O-CA 3.4Å; L281-L304 PolarHBondContact O-N 2.86Å
282R95.8Very high92.5Very high105 Ų10541.6 Ų41.640%0.39621%0.207SC..SBendtrans-103.2-25.4174.1-6517762.8-140.3-2.4112.4I259 N280 E305 Y306I259-R282 HydrophobicContact CG2-CB 3.99Å; I259-R282 HydrophobicContact CG2-CG 4.3Å; I259-R282 CarbonylContact O-C 3.49Å; I259-R282 WeakPolarHBondContact O-CA 3.5Å; I259-R282 PolarHBondContact O-N 3.42Å; N280-R282 PolarHBondContact O-N 2.93Å; R282-E305 IonicContact CZ-OE1 3.42Å; R282-E305 VanDerWaalsContact CZ-OE1 3.24Å; R282-E305 IonicContact CZ-OE2 3.67Å; R282-E305 IonicContact NE-OE1 2.94Å; R282-E305 PolarHBondContact NE-OE1 3.37Å; R282-E305 IonicContact NE-OE2 2.65Å; R282-E305 IonicContact NH2-OE1 3.3Å; R282-E305 PolarHBondContact NH2-OE1 3.38Å; R282-E305 IonicContact NH2-OE2 2.85Å; R282-E305 PolarHBondContact NH2-OE2 2.89Å; R282-E305 CarbonylContact O-C 3.59Å; R282-E305 WeakPolarHBondContact O-CA 3.2Å; R282-E305 WeakPolarHBondContact O-CB 3.39Å; R282-E305 PolarHBondContact O-N 3.28Å; R282-Y306 PolarHBondContact O-N 2.93Å
283K97.1Very high92.2Very high60 Ų6043.5 Ų43.526%0.26122%0.217SC..EExtended strand (participates in β ladder)trans-136.2122.1178.6166.8140.5153.8-96.10111.6I259 E260 L261 Y306I259-K283 PolarHBondContact O-N 3.25Å; E260-K283 CarbonylContact C-O 3.38Å; E260-K283 WeakPolarHBondContact CA-O 3.32Å; E260-K283 HydrophobicContact CB-CB 4.14Å; E260-K283 HydrophobicContact CB-CG 4.28Å; E260-K283 HydrophobicContact CG-CB 3.88Å; E260-K283 HydrophobicContact CG-CG 4.24Å; E260-K283 VanDerWaalsContact OE1-CD 3.28Å; E260-K283 WeakPolarHBondContact OE1-CD 3.48Å; E260-K283 IonicContact OE1-NZ 2.67Å; E260-K283 PolarHBondContact OE1-NZ 2.89Å; E260-K283 IonicContact OE2-NZ 3.47Å; E260-K283 PolarHBondContact OE2-NZ 2.88Å; L261-K283 PolarHBondContact N-O 3.01Å; K283-Y306 CarbonylContact C-O 2.7Å; K283-Y306 WeakPolarHBondContact CA-O 3.32Å; K283-Y306 HydrophobicContact CB-CD1 4.38Å; K283-Y306 HydrophobicContact CB-CG 4.46Å; K283-Y306 HydrophobicContact CD-CD1 3.67Å; K283-Y306 HydrophobicContact CD-CD2 4.08Å; K283-Y306 HydrophobicContact CD-CE1 4.12Å; K283-Y306 HydrophobicContact CD-CE2 4.49Å; K283-Y306 HydrophobicContact CD-CG 3.66Å; K283-Y306 HydrophobicContact CG-CD1 3.64Å; K283-Y306 HydrophobicContact CG-CE1 4.27Å; K283-Y306 HydrophobicContact CG-CG 4Å
284L96.5Very high92.1Very high0 Ų037.7 Ų37.70%019%0.19CC..EExtended strand (participates in β ladder)trans-124.1122.4175.3-179.552.4000109.7L261 V275 L281 L286 W301 L304 Y306 L307 N308L261-L284 HydrophobicContact CB-CD1 4.35Å; L261-L284 HydrophobicContact CD2-CD1 4.23Å; L261-L284 HydrophobicContact CG-CD1 4.26Å; L261-L284 WeakPolarHBondContact O-CA 3.13Å; V275-L284 HydrophobicContact CG1-CD1 4.2Å; V275-L284 HydrophobicContact CG1-CD2 4.12Å; L281-L284 HydrophobicContact CD2-CB 3.8Å; L281-L284 HydrophobicContact CD2-CD1 4.16Å; L281-L284 HydrophobicContact CD2-CD2 4.16Å; L281-L284 HydrophobicContact CD2-CG 4.26Å; L284-L286 HydrophobicContact CD1-CD1 4.26Å; L284-L286 HydrophobicContact CD1-CD2 4.49Å; L284-L286 HydrophobicContact CD1-CG 4.02Å; L284-L286 HydrophobicContact CD2-CD1 3.87Å; L284-L286 HydrophobicContact CG-CD1 3.96Å; L284-L286 HydrophobicContact CG-CG 4.08Å; L284-W301 HydrophobicContact CD2-CD2 4.41Å; L284-W301 HydrophobicContact CD2-CE3 4.47Å; L284-W301 HydrophobicContact CD2-CH2 3.53Å; L284-W301 HydrophobicContact CD2-CZ2 3.45Å; L284-W301 VanDerWaalsContact CD2-CZ2 3.45Å; L284-W301 HydrophobicContact CD2-CZ3 4.06Å; L284-L304 HydrophobicContact CB-CD1 3.89Å; L284-L304 HydrophobicContact CB-CD2 4.35Å; L284-Y306 PolarHBondContact N-O 3Å; L284-L307 HydrophobicContact CB-CD1 4.15Å; L284-L307 HydrophobicContact CD2-CD1 4.02Å; L284-L307 HydrophobicContact CG-CD1 4.09Å; L284-L307 CarbonylContact O-C 3.34Å; L284-L307 WeakPolarHBondContact O-CA 3.25Å; L284-N308 PolarHBondContact O-N 2.76Å
285N96.7Very high91.5Very high16 Ų1640.4 Ų40.49%0.08621%0.209CC..EExtended strand (participates in β ladder)trans-114.2124.2171-174.314.6000110.4L261 D262 L263 S264 A287 Y306 N308L261-N285 PolarHBondContact O-N 3.14Å; D262-N285 HydrophobicContact CB-CB 4.31Å; D262-N285 VanDerWaalsContact CG-ND2 3.33Å; D262-N285 PolarHBondContact OD1-ND2 2.86Å; D262-N285 PolarHBondContact OD2-ND2 2.76Å; L263-N285 CarbonylContact C-O 3.46Å; L263-N285 WeakPolarHBondContact CA-O 3.3Å; L263-N285 PolarHBondContact N-O 3.08Å; S264-N285 WeakPolarHBondContact CB-ND2 3.24Å; S264-N285 PolarHBondContact N-O 3.03Å; S264-N285 PolarHBondContact OG-ND2 2.85Å; N285-A287 VanDerWaalsContact OD1-CB 3.25Å; N285-A287 WeakPolarHBondContact OD1-CB 3.3Å; N285-A287 PolarHBondContact OD1-N 2.87Å; N285-Y306 HydrophobicContact CB-CE1 4.37Å; N285-N308 HydrophobicContact CB-CB 4.46Å; N285-N308 WeakPolarHBondContact OD1-CB 3.47Å; N285-N308 PolarHBondContact OD1-ND2 3.47Å
286L96Very high90.7Very high0 Ų042.2 Ų42.20%022%0.22CC..  trans-13018.1179.8-71.1165.4000110.5L263 L268 I271 L284 N289 L291 N308 L309 N312L263-L286 HydrophobicContact CB-CD2 3.86Å; L263-L286 HydrophobicContact CD1-CD2 4.29Å; L268-L286 HydrophobicContact CD1-CD2 3.85Å; I271-L286 HydrophobicContact CD1-CD1 3.61Å; I271-L286 HydrophobicContact CG1-CD1 3.95Å; L284-L286 HydrophobicContact CD1-CD1 4.26Å; L284-L286 HydrophobicContact CD1-CD2 4.49Å; L284-L286 HydrophobicContact CD1-CG 4.02Å; L284-L286 HydrophobicContact CD2-CD1 3.87Å; L284-L286 HydrophobicContact CG-CD1 3.96Å; L284-L286 HydrophobicContact CG-CG 4.08Å; L286-N289 PolarHBondContact O-ND2 3.45Å; L286-L291 HydrophobicContact CB-CD1 4.06Å; L286-L291 HydrophobicContact CD1-CD1 4.35Å; L286-N308 CarbonylContact C-O 3.54Å; L286-N308 WeakPolarHBondContact CA-O 3.38Å; L286-N308 WeakPolarHBondContact CB-O 3.26Å; L286-N308 PolarHBondContact N-O 3.15Å; L286-L309 HydrophobicContact CB-CD2 4.14Å; L286-L309 HydrophobicContact CD1-CD2 3.93Å; L286-N312 PolarHBondContact O-ND2 2.86Å
287A96.2Very high90.3Very high4 Ų441.8 Ų41.83%0.03322%0.218CC..  trans-58.6155.4179.700000112.6S264 C265 N285 N289 N308 S310S264-A287 CarbonylContact C-O 3.44Å; S264-A287 WeakPolarHBondContact CA-O 3.04Å; S264-A287 WeakPolarHBondContact CB-O 3.4Å; C265-A287 PolarHBondContact N-O 3.4Å; N285-A287 VanDerWaalsContact OD1-CB 3.25Å; N285-A287 WeakPolarHBondContact OD1-CB 3.3Å; N285-A287 PolarHBondContact OD1-N 2.87Å; A287-N289 PolarHBondContact O-ND2 3.01Å; A287-N289 VanDerWaalsContact O-ND2 3.08Å; A287-N308 PolarHBondContact N-O 3.23Å; A287-S310 CarbonylContact C-O 3.51Å; A287-S310 WeakPolarHBondContact CA-O 3.37Å; A287-S310 VanDerWaalsContact CB-OG 3.26Å; A287-S310 WeakPolarHBondContact CB-OG 3.07Å
288H96.9Very high89.1Confident89 Ų8942.4 Ų42.441%0.41222%0.219SC..SBendtrans52.361.2178-59.8-84.9000112.4C265 N266 S310 Y311C265-H288 CarbonylContact C-O 3.51Å; C265-H288 WeakPolarHBondContact CA-O 3.17Å; C265-H288 HydrophobicContact CB-CB 4.43Å; C265-H288 PolarHBondContact N-O 3.34Å; N266-H288 PolarHBondContact N-O 3.03Å; H288-S310 PolarHBondContact N-O 2.8Å; H288-Y311 WeakPolarHBondContact CA-O 2.98Å; H288-Y311 AromaticContact CE1-CD1 3.54Å; H288-Y311 AromaticContact CE1-CD2 3.34Å; H288-Y311 WeakPolarHBondContact CE1-CD2 3.32Å; H288-Y311 AromaticContact CE1-CE1 3.96Å; H288-Y311 AromaticContact CE1-CE2 3.78Å; H288-Y311 AromaticContact CE1-CG 3.19Å; H288-Y311 PolarHBondContact N-O 2.8Å; H288-Y311 VanDerWaalsContact ND1-CB 3.33Å; H288-Y311 WeakPolarHBondContact ND1-CB 3.14Å; H288-Y311 AromaticContact ND1-CD1 3.93Å; H288-Y311 AromaticContact ND1-CD2 4Å; H288-Y311 AromaticContact ND1-CG 3.5Å; H288-Y311 AromaticContact NE2-CD2 3.35Å; H288-Y311 WeakPolarHBondContact NE2-CD2 3.34Å; H288-Y311 AromaticContact NE2-CE2 3.75Å; H288-Y311 AromaticContact NE2-CG 3.7Å
289N94.2Very high87.7Confident11 Ų1143 Ų436%0.05923%0.227CC..SBendtrans-133.9-175.9175.5-85.9-88000109.4L263 N266 L268 L286 A287 L291 Y311 N312L263-N289 PolarHBondContact O-ND2 3.22Å; N266-N289 WeakPolarHBondContact CA-OD1 3.28Å; N266-N289 WeakPolarHBondContact CB-OD1 3.22Å; N266-N289 PolarHBondContact O-OD1 3.42Å; L268-N289 HydrophobicContact CB-CB 4.41Å; L268-N289 WeakPolarHBondContact CB-OD1 3.27Å; L268-N289 WeakPolarHBondContact CG-OD1 3.18Å; L268-N289 PolarHBondContact N-OD1 3.33Å; L286-N289 PolarHBondContact O-ND2 3.45Å; A287-N289 PolarHBondContact O-ND2 3.01Å; A287-N289 VanDerWaalsContact O-ND2 3.08Å; N289-L291 HydrophobicContact CB-CG 4.17Å; N289-Y311 PolarHBondContact N-O 2.85Å; N289-N312 WeakPolarHBondContact CA-OD1 3.47Å; N289-N312 WeakPolarHBondContact CB-OD1 3.31Å; N289-N312 PolarHBondContact O-OD1 3Å; N289-N312 VanDerWaalsContact O-OD1 3.07Å
290E92Very high86.9Confident82 Ų8238.2 Ų38.238%0.38321%0.209SC..  trans-102.726.3-179.3-63.5-179.3-172.400112L268 T269 S292L268-E290 CarbonylContact O-C 3.49Å; L268-E290 WeakPolarHBondContact O-CA 3.46Å; L268-E290 PolarHBondContact O-N 3.09Å; T269-E290 HydrophobicContact CG2-CB 3.97Å; E290-S292 PolarHBondContact O-N 3.42Å
291L93.2Very high86.8Confident0 Ų035.4 Ų35.40%019%0.193CC..  trans-67.3108.4-177.3-55.7173.9000110.1L268 K270 I271 L286 N289 L309 N312 Q313 L314L268-L291 HydrophobicContact CB-CD2 4.33Å; L268-L291 WeakPolarHBondContact O-CD2 3.35Å; L268-L291 PolarHBondContact O-N 3.47Å; K270-L291 VanDerWaalsContact C-CD2 3.4Å; K270-L291 VanDerWaalsContact CA-CD2 3.48Å; I271-L291 HydrophobicContact CG1-CD1 4.4Å; I271-L291 HydrophobicContact CG1-CD2 4.25Å; L286-L291 HydrophobicContact CB-CD1 4.06Å; L286-L291 HydrophobicContact CD1-CD1 4.35Å; N289-L291 HydrophobicContact CB-CG 4.17Å; L291-L309 HydrophobicContact CD1-CD2 3.79Å; L291-N312 HydrophobicContact CB-CB 4.2Å; L291-N312 WeakPolarHBondContact CB-OD1 3.25Å; L291-N312 WeakPolarHBondContact CG-OD1 3.29Å; L291-N312 PolarHBondContact N-OD1 2.67Å; L291-Q313 CarbonylContact O-C 3.57Å; L291-Q313 VanDerWaalsContact O-C 3.29Å; L291-Q313 WeakPolarHBondContact O-CA 3.37Å; L291-Q313 PolarHBondContact O-N 3Å; L291-L314 HydrophobicContact CB-CD2 4.01Å; L291-L314 VanDerWaalsContact O-CD2 3.27Å; L291-L314 WeakPolarHBondContact O-CD2 3.13Å; L291-L314 PolarHBondContact O-N 3.1Å
292S86.6Confident86.4Confident63 Ų6338.5 Ų38.544%0.44121%0.214SC..  trans-103.8-17.317347.80000112.9E290E290-S292 PolarHBondContact O-N 3.42Å
293D84.5Confident86.2Confident48 Ų4838.6 Ų38.626%0.25722%0.217SC..  trans-139129.7-173.4174.428.5000111.2K270 S295K270-D293 WeakPolarHBondContact CE-OD2 3.07Å; K270-D293 IonicContact NZ-OD2 2.68Å; K270-D293 PolarHBondContact NZ-OD2 3.36Å; D293-S295 VanDerWaalsContact CG-OG 3.24Å; D293-S295 WeakPolarHBondContact OD1-CB 3.14Å; D293-S295 PolarHBondContact OD1-N 2.68Å; D293-S295 PolarHBondContact OD1-OG 3.45Å; D293-S295 PolarHBondContact OD2-OG 3.27Å
294L84.9Confident86.1Confident3 Ų335.8 Ų35.82%0.01621%0.205CC..  trans-120.215.1176.5-70.8174.9000112.6I271 T296 L297 L309 L314 L317 P318I271-L294 HydrophobicContact CD1-CD2 3.49Å; I271-L294 VanDerWaalsContact CD1-CD2 3.49Å; I271-L294 HydrophobicContact CG1-CD2 3.9Å; L294-T296 PolarHBondContact O-N 3.06Å; L294-L297 PolarHBondContact O-N 3.07Å; L294-L309 HydrophobicContact CD1-CD1 3.88Å; L294-L309 HydrophobicContact CD1-CD2 4.41Å; L294-L309 HydrophobicContact CD2-CD2 4.25Å; L294-L314 HydrophobicContact CD1-CD1 3.65Å; L294-L314 HydrophobicContact CD1-CD2 3.59Å; L294-L314 HydrophobicContact CD1-CG 4.26Å; L294-L314 HydrophobicContact CD2-CD2 4.42Å; L294-L314 HydrophobicContact CG-CD1 4.48Å; L294-L314 HydrophobicContact CG-CD2 3.56Å; L294-L317 HydrophobicContact CD1-CD2 3.98Å; L294-P318 HydrophobicContact CB-CG 3.93Å; L294-P318 WeakPolarHBondContact O-CB 3.07Å; L294-P318 WeakPolarHBondContact O-CG 3.46Å
295S75.7Confident86.1Confident81 Ų8137.8 Ų37.857%0.56621%0.214SC*.THydrogen-bonded Turntrans-57-20.8-179.258.50000114.6D293D293-S295 VanDerWaalsContact CG-OG 3.24Å; D293-S295 WeakPolarHBondContact OD1-CB 3.14Å; D293-S295 PolarHBondContact OD1-N 2.68Å; D293-S295 PolarHBondContact OD1-OG 3.45Å; D293-S295 PolarHBondContact OD2-OG 3.27Å
296T76.3Confident86.1Confident37 Ų3739.1 Ų39.123%0.22722%0.218CC..THydrogen-bonded Turntrans-76.7-18175.654.70000114.4L294 T298L294-T296 PolarHBondContact O-N 3.06Å; T296-T298 WeakPolarHBondContact O-CG2 3.44Å; T296-T298 PolarHBondContact O-N 3.13Å
297L79.8Confident86.1Confident4 Ų439.1 Ų39.12%0.02122%0.218CC..  trans-75.597.9176172.362000109.3L276 L294 W301 P318 G320 L321L276-L297 HydrophobicContact CD2-CD1 4.4Å; L294-L297 PolarHBondContact O-N 3.07Å; L297-W301 HydrophobicContact CD1-CD2 4.42Å; L297-W301 HydrophobicContact CD1-CE3 3.75Å; L297-W301 HydrophobicContact CD1-CH2 3.9Å; L297-W301 HydrophobicContact CD1-CZ3 3.47Å; L297-W301 VanDerWaalsContact CD1-CZ3 3.47Å; L297-W301 HydrophobicContact CD2-CZ3 3.96Å; L297-W301 HydrophobicContact CG-CZ3 4.35Å; L297-P318 HydrophobicContact CB-CG 3.98Å; L297-P318 HydrophobicContact CD2-CG 3.97Å; L297-P318 HydrophobicContact CG-CG 4.2Å; L297-G320 WeakPolarHBondContact O-CA 3.31Å; L297-L321 HydrophobicContact CD2-CB 4.37Å; L297-L321 HydrophobicContact CD2-CD1 3.85Å
298T61.8Low86.1Confident75 Ų7539.6 Ų39.646%0.4622%0.22SC..SBendtrans-93.7-14.1-178.688.20000113.2T296 D300 R323T296-T298 WeakPolarHBondContact O-CG2 3.44Å; T296-T298 PolarHBondContact O-N 3.13Å; T298-D300 PolarHBondContact N-OD2 2.82Å; T298-D300 PolarHBondContact OG1-OD1 2.93Å; T298-R323 WeakPolarHBondContact O-CD 3.41Å; T298-R323 VanDerWaalsContact O-CZ 3.32Å; T298-R323 PolarHBondContact O-NE 3Å; T298-R323 PolarHBondContact O-NH1 3.47Å
299G62.2Low86Confident19 Ų1935.4 Ų35.420%0.19620%0.201CC..SBendtrans134.140.5173.300000113.8
300D72.2Confident86.1Confident46 Ų4635.2 Ų35.225%0.24620%0.2CC..  trans-97.1-10-146.8-41.4-84000113.7L276 T298 P302L276-D300 HydrophobicContact CB-CB 4.43Å; L276-D300 VanDerWaalsContact O-CB 3.23Å; L276-D300 WeakPolarHBondContact O-CB 3.27Å; T298-D300 PolarHBondContact N-OD2 2.82Å; T298-D300 PolarHBondContact OG1-OD1 2.93Å; D300-P302 WeakPolarHBondContact O-CD 3.16Å
301W89.1Confident86.3Confident0 Ų036.5 Ų36.50%020%0.203CC..  trans-111.278.8179.2-45.5-60.2000112.6I271 V275 L276 L284 L297 K303 L304 L307 L324I271-W301 HydrophobicContact CD1-CH2 3.8Å; I271-W301 HydrophobicContact CD1-CZ2 4.47Å; I271-W301 HydrophobicContact CG2-CH2 4.46Å; I271-W301 HydrophobicContact CG2-CZ2 4.14Å; V275-W301 HydrophobicContact CG1-CZ2 4.25Å; V275-W301 PolarHBondContact O-NE1 2.65Å; L276-W301 HydrophobicContact CD2-CH2 4.31Å; L276-W301 HydrophobicContact CD2-CZ2 3.82Å; L284-W301 HydrophobicContact CD2-CD2 4.41Å; L284-W301 HydrophobicContact CD2-CE3 4.47Å; L284-W301 HydrophobicContact CD2-CH2 3.53Å; L284-W301 HydrophobicContact CD2-CZ2 3.45Å; L284-W301 VanDerWaalsContact CD2-CZ2 3.45Å; L284-W301 HydrophobicContact CD2-CZ3 4.06Å; L297-W301 HydrophobicContact CD1-CD2 4.42Å; L297-W301 HydrophobicContact CD1-CE3 3.75Å; L297-W301 HydrophobicContact CD1-CH2 3.9Å; L297-W301 HydrophobicContact CD1-CZ3 3.47Å; L297-W301 VanDerWaalsContact CD1-CZ3 3.47Å; L297-W301 HydrophobicContact CD2-CZ3 3.96Å; L297-W301 HydrophobicContact CG-CZ3 4.35Å; W301-K303 PolarHBondContact O-N 3.3Å; W301-K303 VanDerWaalsContact O-N 3.11Å; W301-L304 HydrophobicContact CB-CB 3.74Å; W301-L304 HydrophobicContact CB-CD2 4.3Å; W301-L304 HydrophobicContact CB-CG 4.46Å; W301-L304 HydrophobicContact CD2-CD2 4.11Å; W301-L304 HydrophobicContact CE3-CD2 3.55Å; W301-L304 HydrophobicContact CG-CD2 4.46Å; W301-L304 HydrophobicContact CZ3-CD2 4.16Å; W301-L304 PolarHBondContact O-N 3.19Å; W301-L304 VanDerWaalsContact O-N 3.17Å; W301-L307 HydrophobicContact CZ3-CD1 4.31Å; W301-L307 HydrophobicContact CZ3-CD2 4.17Å; W301-L324 HydrophobicContact CB-CD2 4.04Å; W301-L324 HydrophobicContact CE3-CD1 3.89Å; W301-L324 HydrophobicContact CE3-CD2 4.09Å; W301-L324 HydrophobicContact CZ3-CD1 4.34Å; W301-L324 WeakPolarHBondContact O-CD2 3.48Å
302P86.2Confident86.3Confident66 Ų6637.1 Ų37.143%0.42921%0.206SC..THydrogen-bonded Turntrans-64.4-20.4-172.326.1-36000114.7D300D300-P302 WeakPolarHBondContact O-CD 3.16Å
303K91.6Very high86.5Confident107 Ų10738.3 Ų38.347%0.46520%0.204SC..THydrogen-bonded Turntrans-102.14.4179.4-60.9-168.6-173.9170.70114.4N280 L281 W301 E305N280-K303 WeakPolarHBondContact OD1-CE 3.42Å; N280-K303 PolarHBondContact OD1-NZ 3.07Å; L281-K303 CarbonylContact O-C 3.58Å; L281-K303 VanDerWaalsContact O-C 3.29Å; W301-K303 PolarHBondContact O-N 3.3Å; W301-K303 VanDerWaalsContact O-N 3.11Å; K303-E305 PolarHBondContact O-N 2.89Å
304L95Very high86.9Confident0 Ų036 Ų360%019%0.192CC..  trans-67.5123.4-173.1-162.470.9000110.5L281 L284 W301 Y306 L307 L324 C326 L327L281-L304 HydrophobicContact CB-CD1 4.23Å; L281-L304 HydrophobicContact CD2-CD1 4.13Å; L281-L304 HydrophobicContact CG-CD1 3.92Å; L281-L304 WeakPolarHBondContact O-CA 3.4Å; L281-L304 PolarHBondContact O-N 2.86Å; L284-L304 HydrophobicContact CB-CD1 3.89Å; L284-L304 HydrophobicContact CB-CD2 4.35Å; W301-L304 HydrophobicContact CB-CB 3.74Å; W301-L304 HydrophobicContact CB-CD2 4.3Å; W301-L304 HydrophobicContact CB-CG 4.46Å; W301-L304 HydrophobicContact CD2-CD2 4.11Å; W301-L304 HydrophobicContact CE3-CD2 3.55Å; W301-L304 HydrophobicContact CG-CD2 4.46Å; W301-L304 HydrophobicContact CZ3-CD2 4.16Å; W301-L304 PolarHBondContact O-N 3.19Å; W301-L304 VanDerWaalsContact O-N 3.17Å; L304-Y306 WeakPolarHBondContact CD1-O 3.18Å; L304-Y306 WeakPolarHBondContact CG-O 3.45Å; L304-L307 HydrophobicContact CD2-CB 3.8Å; L304-L307 HydrophobicContact CD2-CD1 4.18Å; L304-L307 HydrophobicContact CD2-CD2 4.21Å; L304-L307 HydrophobicContact CD2-CG 4.28Å; L304-L324 HydrophobicContact CD2-CD1 4.28Å; L304-C326 CarbonylContact O-C 3.42Å; L304-L327 HydrophobicContact CB-CD1 4.5Å; L304-L327 HydrophobicContact CD2-CD1 4.22Å; L304-L327 HydrophobicContact CG-CD1 4.15Å; L304-L327 WeakPolarHBondContact O-CA 3.48Å; L304-L327 PolarHBondContact O-N 3.47Å
305E96.1Very high86.9Confident42 Ų4239.4 Ų39.420%0.19621%0.209CC..  trans-107-25.6178.1-75.6176.3-138.300112.4R282 K303 C326 R328 K329R282-E305 IonicContact CZ-OE1 3.42Å; R282-E305 VanDerWaalsContact CZ-OE1 3.24Å; R282-E305 IonicContact CZ-OE2 3.67Å; R282-E305 IonicContact NE-OE1 2.94Å; R282-E305 PolarHBondContact NE-OE1 3.37Å; R282-E305 IonicContact NE-OE2 2.65Å; R282-E305 IonicContact NH2-OE1 3.3Å; R282-E305 PolarHBondContact NH2-OE1 3.38Å; R282-E305 IonicContact NH2-OE2 2.85Å; R282-E305 PolarHBondContact NH2-OE2 2.89Å; R282-E305 CarbonylContact O-C 3.59Å; R282-E305 WeakPolarHBondContact O-CA 3.2Å; R282-E305 WeakPolarHBondContact O-CB 3.39Å; R282-E305 PolarHBondContact O-N 3.28Å; K303-E305 PolarHBondContact O-N 2.89Å; E305-C326 WeakPolarHBondContact CG-O 3.39Å; E305-R328 HydrophobicContact CB-CB 4.34Å; E305-R328 HydrophobicContact CB-CG 4.26Å; E305-R328 HydrophobicContact CG-CG 4.14Å; E305-R328 CarbonylContact O-C 3.54Å; E305-R328 WeakPolarHBondContact O-CA 3.19Å; E305-R328 WeakPolarHBondContact O-CB 3.43Å; E305-R328 PolarHBondContact O-N 2.63Å; E305-R328 WeakPolarHBondContact OE2-CD 3.15Å; E305-R328 IonicContact OE2-NE 2.66Å; E305-R328 PolarHBondContact OE2-NE 2.86Å; E305-R328 VanDerWaalsContact OE2-NE 3.15Å; E305-K329 PolarHBondContact O-N 2.79Å
306Y97.4Very high87.5Confident44 Ų4440.2 Ų40.217%0.17320%0.204CC..EExtended strand (participates in β ladder)trans-130.8127.5176.2177.5-73.1000109.8R282 K283 L284 N285 L304 N308 K329 Y331R282-Y306 PolarHBondContact O-N 2.93Å; K283-Y306 CarbonylContact C-O 2.7Å; K283-Y306 WeakPolarHBondContact CA-O 3.32Å; K283-Y306 HydrophobicContact CB-CD1 4.38Å; K283-Y306 HydrophobicContact CB-CG 4.46Å; K283-Y306 HydrophobicContact CD-CD1 3.67Å; K283-Y306 HydrophobicContact CD-CD2 4.08Å; K283-Y306 HydrophobicContact CD-CE1 4.12Å; K283-Y306 HydrophobicContact CD-CE2 4.49Å; K283-Y306 HydrophobicContact CD-CG 3.66Å; K283-Y306 HydrophobicContact CG-CD1 3.64Å; K283-Y306 HydrophobicContact CG-CE1 4.27Å; K283-Y306 HydrophobicContact CG-CG 4Å; L284-Y306 PolarHBondContact N-O 3Å; N285-Y306 HydrophobicContact CB-CE1 4.37Å; L304-Y306 WeakPolarHBondContact CD1-O 3.18Å; L304-Y306 WeakPolarHBondContact CG-O 3.45Å; Y306-N308 HydrophobicContact CD1-CB 4.37Å; Y306-N308 HydrophobicContact CE1-CB 3.45Å; Y306-N308 VanDerWaalsContact CE1-CB 3.45Å; Y306-N308 PolarHBondContact OH-ND2 3.18Å; Y306-K329 CarbonylContact C-O 3.52Å; Y306-K329 VanDerWaalsContact CA-O 3.31Å; Y306-K329 WeakPolarHBondContact CA-O 3.41Å; Y306-K329 HydrophobicContact CD2-CB 3.81Å; Y306-K329 HydrophobicContact CD2-CD 4.29Å; Y306-K329 HydrophobicContact CG-CB 4.31Å; Y306-Y331 HydrophobicContact CD2-CD2 4.4Å; Y306-Y331 AromaticContact CD2-CE2 3.87Å; Y306-Y331 HydrophobicContact CD2-CE2 3.87Å; Y306-Y331 AromaticContact CE2-CD2 3.83Å; Y306-Y331 HydrophobicContact CE2-CD2 3.83Å; Y306-Y331 AromaticContact CE2-CE2 3.31Å; Y306-Y331 HydrophobicContact CE2-CE2 3.31Å; Y306-Y331 AromaticContact CZ-CD2 3.96Å; Y306-Y331 AromaticContact CZ-CE2 3.9Å
307L96.1Very high88.1Confident0 Ų038.9 Ų38.90%020%0.196CC..EExtended strand (participates in β ladder)trans-132.8118.8173179.553.2000108.3L284 W301 L304 L309 L321 L324 L327 K329 L330 Y331L284-L307 HydrophobicContact CB-CD1 4.15Å; L284-L307 HydrophobicContact CD2-CD1 4.02Å; L284-L307 HydrophobicContact CG-CD1 4.09Å; L284-L307 CarbonylContact O-C 3.34Å; L284-L307 WeakPolarHBondContact O-CA 3.25Å; W301-L307 HydrophobicContact CZ3-CD1 4.31Å; W301-L307 HydrophobicContact CZ3-CD2 4.17Å; L304-L307 HydrophobicContact CD2-CB 3.8Å; L304-L307 HydrophobicContact CD2-CD1 4.18Å; L304-L307 HydrophobicContact CD2-CD2 4.21Å; L304-L307 HydrophobicContact CD2-CG 4.28Å; L307-L309 HydrophobicContact CD1-CD1 4.28Å; L307-L309 HydrophobicContact CD1-CD2 4.35Å; L307-L309 HydrophobicContact CD1-CG 4Å; L307-L309 HydrophobicContact CD2-CD1 3.92Å; L307-L309 HydrophobicContact CG-CD1 3.94Å; L307-L309 HydrophobicContact CG-CG 4.04Å; L307-L321 HydrophobicContact CD2-CD1 3.82Å; L307-L324 HydrophobicContact CD2-CD1 4.18Å; L307-L327 HydrophobicContact CB-CD1 3.72Å; L307-L327 HydrophobicContact CB-CD2 4.37Å; L307-K329 PolarHBondContact N-O 3.3Å; L307-L330 HydrophobicContact CB-CD1 4.04Å; L307-L330 HydrophobicContact CD2-CD1 4.01Å; L307-L330 HydrophobicContact CG-CD1 3.99Å; L307-L330 CarbonylContact O-C 3.05Å; L307-L330 WeakPolarHBondContact O-CA 2.91Å; L307-Y331 PolarHBondContact O-N 2.8Å
308N96.6Very high88.4Confident15 Ų1539.6 Ų39.68%0.0820%0.201CC..EExtended strand (participates in β ladder)trans-117118.2173.6-175.9-7.5000110.1L284 N285 L286 A287 Y306 S310 Y331L284-N308 PolarHBondContact O-N 2.76Å; N285-N308 HydrophobicContact CB-CB 4.46Å; N285-N308 WeakPolarHBondContact OD1-CB 3.47Å; N285-N308 PolarHBondContact OD1-ND2 3.47Å; L286-N308 CarbonylContact C-O 3.54Å; L286-N308 WeakPolarHBondContact CA-O 3.38Å; L286-N308 WeakPolarHBondContact CB-O 3.26Å; L286-N308 PolarHBondContact N-O 3.15Å; A287-N308 PolarHBondContact N-O 3.23Å; Y306-N308 HydrophobicContact CD1-CB 4.37Å; Y306-N308 HydrophobicContact CE1-CB 3.45Å; Y306-N308 VanDerWaalsContact CE1-CB 3.45Å; Y306-N308 PolarHBondContact OH-ND2 3.18Å; N308-S310 WeakPolarHBondContact OD1-CB 3.5Å; N308-S310 PolarHBondContact OD1-N 2.61Å; N308-S310 PolarHBondContact OD1-OG 3Å; N308-Y331 CarbonylContact C-O 3.3Å; N308-Y331 WeakPolarHBondContact CA-O 3.18Å; N308-Y331 HydrophobicContact CB-CD2 4.31Å; N308-Y331 HydrophobicContact CB-CG 4.49Å
309L95.3Very high89.3Confident1 Ų141 Ų411%0.00521%0.209CC..  trans-120.818.9-179.6-68.1162.8000110.5L286 L291 L294 L307 N312 L314 L317 Y331 V332 N335L286-L309 HydrophobicContact CB-CD2 4.14Å; L286-L309 HydrophobicContact CD1-CD2 3.93Å; L291-L309 HydrophobicContact CD1-CD2 3.79Å; L294-L309 HydrophobicContact CD1-CD1 3.88Å; L294-L309 HydrophobicContact CD1-CD2 4.41Å; L294-L309 HydrophobicContact CD2-CD2 4.25Å; L307-L309 HydrophobicContact CD1-CD1 4.28Å; L307-L309 HydrophobicContact CD1-CD2 4.35Å; L307-L309 HydrophobicContact CD1-CG 4Å; L307-L309 HydrophobicContact CD2-CD1 3.92Å; L307-L309 HydrophobicContact CG-CD1 3.94Å; L307-L309 HydrophobicContact CG-CG 4.04Å; L309-N312 WeakPolarHBondContact O-CB 3Å; L309-N312 PolarHBondContact O-ND2 3.04Å; L309-N312 VanDerWaalsContact O-ND2 3.1Å; L309-L314 HydrophobicContact CB-CD1 3.88Å; L309-L314 HydrophobicContact CD1-CD1 4.38Å; L309-L317 HydrophobicContact CD1-CD2 4.35Å; L309-Y331 PolarHBondContact N-O 2.9Å; L309-V332 HydrophobicContact CB-CG1 4.29Å; L309-V332 HydrophobicContact CD1-CG1 4.22Å; L309-N335 PolarHBondContact O-ND2 3.49Å
310S94.9Very high90.1Very high7 Ų740.5 Ų40.55%0.04920%0.203CC..  trans-68.7159.9-173.363.70000113.5A287 H288 N308 N312 N333A287-S310 CarbonylContact C-O 3.51Å; A287-S310 WeakPolarHBondContact CA-O 3.37Å; A287-S310 VanDerWaalsContact CB-OG 3.26Å; A287-S310 WeakPolarHBondContact CB-OG 3.07Å; H288-S310 PolarHBondContact N-O 2.8Å; N308-S310 WeakPolarHBondContact OD1-CB 3.5Å; N308-S310 PolarHBondContact OD1-N 2.61Å; N308-S310 PolarHBondContact OD1-OG 3Å; S310-N312 PolarHBondContact O-N 2.86Å; S310-N312 PolarHBondContact O-ND2 3.44Å; S310-N333 CarbonylContact C-O 3.6Å; S310-N333 WeakPolarHBondContact CA-O 3.47Å; S310-N333 WeakPolarHBondContact CB-O 3.44Å; S310-N333 WeakPolarHBondContact CB-OD1 3.41Å
311Y96.7Very high90.9Very high109 Ų10938.3 Ų38.343%0.42719%0.192SC..SBendtrans51.457.1-178.4-62.5-91.1000112.2H288 N289 N333 N334H288-Y311 WeakPolarHBondContact CA-O 2.98Å; H288-Y311 AromaticContact CE1-CD1 3.54Å; H288-Y311 AromaticContact CE1-CD2 3.34Å; H288-Y311 WeakPolarHBondContact CE1-CD2 3.32Å; H288-Y311 AromaticContact CE1-CE1 3.96Å; H288-Y311 AromaticContact CE1-CE2 3.78Å; H288-Y311 AromaticContact CE1-CG 3.19Å; H288-Y311 PolarHBondContact N-O 2.8Å; H288-Y311 VanDerWaalsContact ND1-CB 3.33Å; H288-Y311 WeakPolarHBondContact ND1-CB 3.14Å; H288-Y311 AromaticContact ND1-CD1 3.93Å; H288-Y311 AromaticContact ND1-CD2 4Å; H288-Y311 AromaticContact ND1-CG 3.5Å; H288-Y311 AromaticContact NE2-CD2 3.35Å; H288-Y311 WeakPolarHBondContact NE2-CD2 3.34Å; H288-Y311 AromaticContact NE2-CE2 3.75Å; H288-Y311 AromaticContact NE2-CG 3.7Å; N289-Y311 PolarHBondContact N-O 2.85Å; Y311-N333 PolarHBondContact N-O 3.48Å; Y311-N334 CarbonylContact C-O 3.58Å; Y311-N334 WeakPolarHBondContact CA-O 3.36Å; Y311-N334 HydrophobicContact CD1-CB 3.43Å; Y311-N334 VanDerWaalsContact CD1-CB 3.43Å; Y311-N334 HydrophobicContact CD2-CB 4.01Å; Y311-N334 HydrophobicContact CE1-CB 3.65Å; Y311-N334 WeakPolarHBondContact CE1-OD1 3.49Å; Y311-N334 HydrophobicContact CE2-CB 4.2Å; Y311-N334 HydrophobicContact CG-CB 3.64Å; Y311-N334 VanDerWaalsContact CZ-CG 3.47Å; Y311-N334 PolarHBondContact N-O 3.04Å; Y311-N334 VanDerWaalsContact N-O 3.13Å; Y311-N334 PolarHBondContact OH-ND2 3.25Å
312N93.1Very high90.7Very high13 Ų1339.7 Ų39.77%0.0720%0.199CC..SBendtrans-132.4-170.7178.5-86-85.4000109.3L286 N289 L291 L309 S310 L314 N334 N335L286-N312 PolarHBondContact O-ND2 2.86Å; N289-N312 WeakPolarHBondContact CA-OD1 3.47Å; N289-N312 WeakPolarHBondContact CB-OD1 3.31Å; N289-N312 PolarHBondContact O-OD1 3Å; N289-N312 VanDerWaalsContact O-OD1 3.07Å; L291-N312 HydrophobicContact CB-CB 4.2Å; L291-N312 WeakPolarHBondContact CB-OD1 3.25Å; L291-N312 WeakPolarHBondContact CG-OD1 3.29Å; L291-N312 PolarHBondContact N-OD1 2.67Å; L309-N312 WeakPolarHBondContact O-CB 3Å; L309-N312 PolarHBondContact O-ND2 3.04Å; L309-N312 VanDerWaalsContact O-ND2 3.1Å; S310-N312 PolarHBondContact O-N 2.86Å; S310-N312 PolarHBondContact O-ND2 3.44Å; N312-L314 HydrophobicContact CB-CD1 4.44Å; N312-L314 HydrophobicContact CB-CG 4.13Å; N312-N334 PolarHBondContact N-O 2.88Å; N312-N334 VanDerWaalsContact N-O 3.13Å; N312-N335 VanDerWaalsContact CA-OD1 3.31Å; N312-N335 WeakPolarHBondContact CA-OD1 3.26Å; N312-N335 WeakPolarHBondContact CB-OD1 3.18Å; N312-N335 PolarHBondContact N-OD1 2.82Å; N312-N335 PolarHBondContact O-OD1 2.86Å
313Q91Very high90.7Very high87 Ų8744.2 Ų44.241%0.40721%0.207SC..  trans-109.825-175.3-56.2178.523.400111.8L291 I315 N335L291-Q313 CarbonylContact O-C 3.57Å; L291-Q313 VanDerWaalsContact O-C 3.29Å; L291-Q313 WeakPolarHBondContact O-CA 3.37Å; L291-Q313 PolarHBondContact O-N 3Å; Q313-I315 PolarHBondContact O-N 3.24Å; Q313-N335 PolarHBondContact N-OD1 2.79Å
314L92.2Very high90.6Very high0 Ų039.1 Ų39.10%019%0.185CC..  trans-73.7113.8-170-58.7173.1000111.4L291 L294 L309 N312 L317 N335 Q336 L337L291-L314 HydrophobicContact CB-CD2 4.01Å; L291-L314 VanDerWaalsContact O-CD2 3.27Å; L291-L314 WeakPolarHBondContact O-CD2 3.13Å; L291-L314 PolarHBondContact O-N 3.1Å; L294-L314 HydrophobicContact CD1-CD1 3.65Å; L294-L314 HydrophobicContact CD1-CD2 3.59Å; L294-L314 HydrophobicContact CD1-CG 4.26Å; L294-L314 HydrophobicContact CD2-CD2 4.42Å; L294-L314 HydrophobicContact CG-CD1 4.48Å; L294-L314 HydrophobicContact CG-CD2 3.56Å; L309-L314 HydrophobicContact CB-CD1 3.88Å; L309-L314 HydrophobicContact CD1-CD1 4.38Å; N312-L314 HydrophobicContact CB-CD1 4.44Å; N312-L314 HydrophobicContact CB-CG 4.13Å; L314-L317 HydrophobicContact CD1-CD2 4.29Å; L314-N335 HydrophobicContact CB-CB 4.22Å; L314-N335 WeakPolarHBondContact CB-OD1 3.47Å; L314-N335 VanDerWaalsContact CG-OD1 3.25Å; L314-N335 WeakPolarHBondContact CG-OD1 3.26Å; L314-N335 PolarHBondContact N-OD1 2.95Å; L314-Q336 CarbonylContact O-C 2.93Å; L314-Q336 VanDerWaalsContact O-CA 3.29Å; L314-Q336 WeakPolarHBondContact O-CA 3.36Å; L314-Q336 PolarHBondContact O-N 3.19Å; L314-L337 HydrophobicContact CB-CD2 3.95Å; L314-L337 WeakPolarHBondContact O-CD2 3.19Å; L314-L337 PolarHBondContact O-N 3.21Å; L314-L337 VanDerWaalsContact O-N 3.07Å
315I85.2Confident90.2Very high74 Ų7442.1 Ų42.138%0.37921%0.206SC..SBendtrans-84.2-29.4169.3-48.3175.4000110.5Q313 Q336Q313-I315 PolarHBondContact O-N 3.24Å; I315-Q336 HydrophobicContact CG1-CB 4.08Å
316H88.4Confident90Very high99 Ų9942 Ų4246%0.45821%0.209SC..  trans-142.9138.6-179.9-54.8-80.2000114.3G340 G341H316-G340 VanDerWaalsContact ND1-C 3.34Å; H316-G340 PolarHBondContact ND1-O 3.27Å; H316-G341 WeakPolarHBondContact ND1-CA 3.25Å; H316-G341 PolarHBondContact ND1-N 2.81Å
317L89.1Confident89.9Confident9 Ų939.9 Ų39.95%0.04720%0.201CC..  trans-85.3142.3161.8-57.7175000110.2L294 L309 L314 L321 V332 L337 G341 I342L294-L317 HydrophobicContact CD1-CD2 3.98Å; L309-L317 HydrophobicContact CD1-CD2 4.35Å; L314-L317 HydrophobicContact CD1-CD2 4.29Å; L317-L321 HydrophobicContact CB-CD2 3.98Å; L317-L321 HydrophobicContact CD1-CD2 3.88Å; L317-L321 HydrophobicContact CG-CD2 4.37Å; L317-V332 HydrophobicContact CD1-CG1 4.09Å; L317-V332 HydrophobicContact CD1-CG2 4.46Å; L317-V332 HydrophobicContact CD2-CG1 3.89Å; L317-L337 HydrophobicContact CD1-CD1 3.99Å; L317-L337 HydrophobicContact CD2-CD1 4.3Å; L317-L337 HydrophobicContact CD2-CD2 4.23Å; L317-L337 HydrophobicContact CG-CD1 3.95Å; L317-L337 HydrophobicContact CG-CD2 3.87Å; L317-G341 WeakPolarHBondContact CB-O 3.4Å; L317-G341 WeakPolarHBondContact CG-O 2.95Å; L317-G341 PolarHBondContact N-O 3.1Å; L317-I342 HydrophobicContact CD1-CG1 4.45Å
318P85.3Confident89.9Confident19 Ų1943.6 Ų43.612%0.12322%0.215CC..  trans-81.7155.7-17334.3-35.5000111.6L294 L297 G320 L321L294-P318 HydrophobicContact CB-CG 3.93Å; L294-P318 WeakPolarHBondContact O-CB 3.07Å; L294-P318 WeakPolarHBondContact O-CG 3.46Å; L297-P318 HydrophobicContact CB-CG 3.98Å; L297-P318 HydrophobicContact CD2-CG 3.97Å; L297-P318 HydrophobicContact CG-CG 4.2Å; P318-G320 PolarHBondContact O-N 2.75Å; P318-L321 HydrophobicContact CG-CB 4.25Å; P318-L321 WeakPolarHBondContact O-CB 3.41Å; P318-L321 PolarHBondContact O-N 2.79Å
319T82Confident89.9Confident105 Ų10546.3 Ų46.364%0.64423%0.226SC*.G310 helixtrans-67.2-17.3173.452.60000113.4L321 I322 P343T319-L321 VanDerWaalsContact C-N 3.29Å; T319-L321 PolarHBondContact O-N 3.21Å; T319-I322 WeakPolarHBondContact O-CD1 3.46Å; T319-I322 WeakPolarHBondContact O-CG1 3.45Å; T319-P343 HydrophobicContact CG2-CB 4.15Å
320G79.2Confident89.9Confident7 Ų746.2 Ų46.27%0.07223%0.226CC..G310 helixtrans-66.3-27.2171.900000113.9L297 P318 I322 R323L297-G320 WeakPolarHBondContact O-CA 3.31Å; P318-G320 PolarHBondContact O-N 2.75Å; G320-I322 PolarHBondContact O-N 2.92Å; G320-I322 VanDerWaalsContact O-N 3.09Å; G320-R323 WeakPolarHBondContact O-CB 3.39Å; G320-R323 PolarHBondContact O-N 3.4Å; G320-R323 VanDerWaalsContact O-N 3.07Å
321L88.8Confident90Very high1 Ų147.7 Ų47.71%0.00523%0.231CC..G310 helixtrans-53.5-32.6177.3-174.874.2000112.7L297 L307 L317 P318 T319 R323 L324 L330 P343 I346L297-L321 HydrophobicContact CD2-CB 4.37Å; L297-L321 HydrophobicContact CD2-CD1 3.85Å; L307-L321 HydrophobicContact CD2-CD1 3.82Å; L317-L321 HydrophobicContact CB-CD2 3.98Å; L317-L321 HydrophobicContact CD1-CD2 3.88Å; L317-L321 HydrophobicContact CG-CD2 4.37Å; P318-L321 HydrophobicContact CG-CB 4.25Å; P318-L321 WeakPolarHBondContact O-CB 3.41Å; P318-L321 PolarHBondContact O-N 2.79Å; T319-L321 VanDerWaalsContact C-N 3.29Å; T319-L321 PolarHBondContact O-N 3.21Å; L321-R323 PolarHBondContact O-N 3.06Å; L321-R323 VanDerWaalsContact O-N 3.07Å; L321-L324 HydrophobicContact CD1-CD1 3.81Å; L321-L324 WeakPolarHBondContact O-CG 3.41Å; L321-L324 PolarHBondContact O-N 3.13Å; L321-L330 HydrophobicContact CD2-CD2 3.91Å; L321-P343 HydrophobicContact CD2-CG 4.46Å; L321-I346 HydrophobicContact CD2-CD1 3.7Å; L321-I346 HydrophobicContact CG-CD1 4.28Å
322I84.7Confident89.9Confident28 Ų2842.5 Ų42.514%0.14421%0.21CC..G310 helixtrans-70.5-3.2-17783.3-168.2000113.8T319 G320 P343 G345 K348T319-I322 WeakPolarHBondContact O-CD1 3.46Å; T319-I322 WeakPolarHBondContact O-CG1 3.45Å; G320-I322 PolarHBondContact O-N 2.92Å; G320-I322 VanDerWaalsContact O-N 3.09Å; I322-P343 HydrophobicContact CG2-CB 3.73Å; I322-P343 HydrophobicContact CG2-CG 3.57Å; I322-G345 WeakPolarHBondContact CB-O 3.39Å; I322-K348 HydrophobicContact CB-CD 4.48Å; I322-K348 HydrophobicContact CD1-CD 4.12Å; I322-K348 HydrophobicContact CG1-CD 4.05Å; I322-K348 WeakPolarHBondContact O-CB 3.36Å
323R86.2Confident90Very high161 Ų16142.8 Ų42.861%0.60821%0.212SC*.G310 helixtrans-92.5-10.8177-65.5163.8174.5-162.4-2.8112.9T298 G320 L321 S325T298-R323 WeakPolarHBondContact O-CD 3.41Å; T298-R323 VanDerWaalsContact O-CZ 3.32Å; T298-R323 PolarHBondContact O-NE 3Å; T298-R323 PolarHBondContact O-NH1 3.47Å; G320-R323 WeakPolarHBondContact O-CB 3.39Å; G320-R323 PolarHBondContact O-N 3.4Å; G320-R323 VanDerWaalsContact O-N 3.07Å; L321-R323 PolarHBondContact O-N 3.06Å; L321-R323 VanDerWaalsContact O-N 3.07Å; R323-S325 PolarHBondContact O-N 2.99Å
324L89.6Confident90.2Very high0 Ų040.4 Ų40.40%020%0.202CC..  trans-77.656.4179-53.1-177.4000111.1W301 L304 L307 L321 C326 L327 L349W301-L324 HydrophobicContact CB-CD2 4.04Å; W301-L324 HydrophobicContact CE3-CD1 3.89Å; W301-L324 HydrophobicContact CE3-CD2 4.09Å; W301-L324 HydrophobicContact CZ3-CD1 4.34Å; W301-L324 WeakPolarHBondContact O-CD2 3.48Å; L304-L324 HydrophobicContact CD2-CD1 4.28Å; L307-L324 HydrophobicContact CD2-CD1 4.18Å; L321-L324 HydrophobicContact CD1-CD1 3.81Å; L321-L324 WeakPolarHBondContact O-CG 3.41Å; L321-L324 PolarHBondContact O-N 3.13Å; L324-C326 PolarHBondContact O-N 3.36Å; L324-L327 HydrophobicContact CB-CB 4.15Å; L324-L327 HydrophobicContact CD1-CD2 4.33Å; L324-L327 WeakPolarHBondContact O-CB 3.39Å; L324-L327 PolarHBondContact O-N 2.69Å; L324-L349 HydrophobicContact CB-CD2 4.26Å; L324-L349 WeakPolarHBondContact O-CD2 3.18Å
325S86.7Confident90.2Very high63 Ų6341 Ų4144%0.44121%0.205SC..THydrogen-bonded Turntrans-53.4-28.9-163.149.50000116R323 L327R323-S325 PolarHBondContact O-N 2.99Å; S325-L327 VanDerWaalsContact C-N 3.3Å; S325-L327 PolarHBondContact O-N 3.01Å
326C91.7Very high90.4Very high39 Ų3941.5 Ų41.526%0.26421%0.206SC..THydrogen-bonded Turntrans-822.2177.8-63.90000114.8L304 E305 L324 R328 D351L304-C326 CarbonylContact O-C 3.42Å; E305-C326 WeakPolarHBondContact CG-O 3.39Å; L324-C326 PolarHBondContact O-N 3.36Å; C326-R328 PolarHBondContact O-N 3.05Å; C326-D351 WeakPolarHBondContact CA-OD2 3.48Å
327L94.6Very high90.5Very high0 Ų036.8 Ų36.80%018%0.184CC..  trans-67.5102.5-173.4-171.766.2000111.3L304 L307 L324 S325 L330 L349 L352L304-L327 HydrophobicContact CB-CD1 4.5Å; L304-L327 HydrophobicContact CD2-CD1 4.22Å; L304-L327 HydrophobicContact CG-CD1 4.15Å; L304-L327 WeakPolarHBondContact O-CA 3.48Å; L304-L327 PolarHBondContact O-N 3.47Å; L307-L327 HydrophobicContact CB-CD1 3.72Å; L307-L327 HydrophobicContact CB-CD2 4.37Å; L324-L327 HydrophobicContact CB-CB 4.15Å; L324-L327 HydrophobicContact CD1-CD2 4.33Å; L324-L327 WeakPolarHBondContact O-CB 3.39Å; L324-L327 PolarHBondContact O-N 2.69Å; S325-L327 VanDerWaalsContact C-N 3.3Å; S325-L327 PolarHBondContact O-N 3.01Å; L327-L330 HydrophobicContact CD2-CB 3.92Å; L327-L330 HydrophobicContact CD2-CD1 4.23Å; L327-L330 HydrophobicContact CD2-CD2 4Å; L327-L330 HydrophobicContact CD2-CG 4.28Å; L327-L330 HydrophobicContact CG-CB 4.43Å; L327-L349 HydrophobicContact CB-CD1 4.46Å; L327-L349 HydrophobicContact CB-CD2 4.34Å; L327-L349 HydrophobicContact CD2-CD1 4.04Å; L327-L352 HydrophobicContact CG-CD1 4.31Å; L327-L352 WeakPolarHBondContact O-CA 3.44Å; L327-L352 WeakPolarHBondContact O-CB 3.45Å; L327-L352 WeakPolarHBondContact O-CD1 3.44Å; L327-L352 PolarHBondContact O-N 3Å
328R96.2Very high90.1Very high79 Ų7938.1 Ų38.130%0.29819%0.193SC..  trans-80.3-33.1176.2-64.4176.2-173.1-1093.8113.1E305 C326 D351 E353 I354E305-R328 HydrophobicContact CB-CB 4.34Å; E305-R328 HydrophobicContact CB-CG 4.26Å; E305-R328 HydrophobicContact CG-CG 4.14Å; E305-R328 CarbonylContact O-C 3.54Å; E305-R328 WeakPolarHBondContact O-CA 3.19Å; E305-R328 WeakPolarHBondContact O-CB 3.43Å; E305-R328 PolarHBondContact O-N 2.63Å; E305-R328 WeakPolarHBondContact OE2-CD 3.15Å; E305-R328 IonicContact OE2-NE 2.66Å; E305-R328 PolarHBondContact OE2-NE 2.86Å; E305-R328 VanDerWaalsContact OE2-NE 3.15Å; C326-R328 PolarHBondContact O-N 3.05Å; R328-D351 WeakPolarHBondContact CA-O 3.23Å; R328-D351 HydrophobicContact CG-CB 4.48Å; R328-E353 HydrophobicContact CB-CB 4.33Å; R328-E353 HydrophobicContact CB-CG 4.05Å; R328-E353 WeakPolarHBondContact CD-OE1 3.11Å; R328-E353 HydrophobicContact CG-CG 4.26Å; R328-E353 IonicContact CZ-OE1 2.56Å; R328-E353 IonicContact NE-OE1 2.84Å; R328-E353 IonicContact NH1-OE1 2.67Å; R328-E353 PolarHBondContact NH1-OE1 2.97Å; R328-E353 CarbonylContact O-C 3.59Å; R328-E353 VanDerWaalsContact O-CA 3.28Å; R328-E353 WeakPolarHBondContact O-CA 3.43Å; R328-E353 WeakPolarHBondContact O-CB 2.97Å; R328-E353 PolarHBondContact O-N 3.02Å; R328-I354 PolarHBondContact O-N 3.26Å
329K97.3Very high89.7Confident71 Ų7141.5 Ų41.531%0.30921%0.205SC..EExtended strand (participates in β ladder)trans-141.499.7-164.9-57.9-176.7175.5171.50110.9E305 Y306 L307 Y331 E353 I354E305-K329 PolarHBondContact O-N 2.79Å; Y306-K329 CarbonylContact C-O 3.52Å; Y306-K329 VanDerWaalsContact CA-O 3.31Å; Y306-K329 WeakPolarHBondContact CA-O 3.41Å; Y306-K329 HydrophobicContact CD2-CB 3.81Å; Y306-K329 HydrophobicContact CD2-CD 4.29Å; Y306-K329 HydrophobicContact CG-CB 4.31Å; L307-K329 PolarHBondContact N-O 3.3Å; K329-Y331 HydrophobicContact CB-CE2 4.03Å; K329-E353 WeakPolarHBondContact CE-OE2 3.32Å; K329-E353 IonicContact NZ-OE2 3.46Å; K329-E353 PolarHBondContact NZ-OE2 2.89Å; K329-I354 CarbonylContact C-O 3.51Å; K329-I354 WeakPolarHBondContact CA-O 3.33Å; K329-I354 HydrophobicContact CB-CB 4.15Å; K329-I354 HydrophobicContact CD-CD1 3.77Å; K329-I354 HydrophobicContact CD-CG1 4.29Å; K329-I354 HydrophobicContact CG-CB 4Å; K329-I354 HydrophobicContact CG-CD1 3.92Å; K329-I354 HydrophobicContact CG-CG1 3.92Å
330L96Very high89.4Confident0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-111106.8-178.6178.351.7000110.5L307 L321 L327 V332 I346 L352 I354 F355 D356L307-L330 HydrophobicContact CB-CD1 4.04Å; L307-L330 HydrophobicContact CD2-CD1 4.01Å; L307-L330 HydrophobicContact CG-CD1 3.99Å; L307-L330 CarbonylContact O-C 3.05Å; L307-L330 WeakPolarHBondContact O-CA 2.91Å; L321-L330 HydrophobicContact CD2-CD2 3.91Å; L327-L330 HydrophobicContact CD2-CB 3.92Å; L327-L330 HydrophobicContact CD2-CD1 4.23Å; L327-L330 HydrophobicContact CD2-CD2 4Å; L327-L330 HydrophobicContact CD2-CG 4.28Å; L327-L330 HydrophobicContact CG-CB 4.43Å; L330-V332 HydrophobicContact CD1-CG1 3.51Å; L330-V332 HydrophobicContact CG-CG1 3.88Å; L330-I346 HydrophobicContact CD2-CD1 4.38Å; L330-L352 HydrophobicContact CB-CD1 3.9Å; L330-I354 PolarHBondContact N-O 2.93Å; L330-F355 HydrophobicContact CB-CD2 4.07Å; L330-F355 HydrophobicContact CD2-CD2 3.79Å; L330-F355 HydrophobicContact CD2-CE2 3.62Å; L330-F355 HydrophobicContact CG-CD2 3.98Å; L330-F355 HydrophobicContact CG-CE2 4.05Å; L330-F355 CarbonylContact O-C 3.52Å; L330-F355 WeakPolarHBondContact O-CA 3.35Å; L330-D356 PolarHBondContact O-N 3.44Å
331Y96.9Very high89.4Confident38 Ų3838.7 Ų38.715%0.14920%0.197CC..EExtended strand (participates in β ladder)trans-100.2124.9170.6-56.9-101.8000108.3Y306 L307 N308 L309 K329 I354 D356Y306-Y331 HydrophobicContact CD2-CD2 4.4Å; Y306-Y331 AromaticContact CD2-CE2 3.87Å; Y306-Y331 HydrophobicContact CD2-CE2 3.87Å; Y306-Y331 AromaticContact CE2-CD2 3.83Å; Y306-Y331 HydrophobicContact CE2-CD2 3.83Å; Y306-Y331 AromaticContact CE2-CE2 3.31Å; Y306-Y331 HydrophobicContact CE2-CE2 3.31Å; Y306-Y331 AromaticContact CZ-CD2 3.96Å; Y306-Y331 AromaticContact CZ-CE2 3.9Å; L307-Y331 PolarHBondContact O-N 2.8Å; N308-Y331 CarbonylContact C-O 3.3Å; N308-Y331 WeakPolarHBondContact CA-O 3.18Å; N308-Y331 HydrophobicContact CB-CD2 4.31Å; N308-Y331 HydrophobicContact CB-CG 4.49Å; L309-Y331 PolarHBondContact N-O 2.9Å; K329-Y331 HydrophobicContact CB-CE2 4.03Å; Y331-I354 HydrophobicContact CE1-CG2 4.24Å; Y331-I354 HydrophobicContact CE2-CG2 4.43Å; Y331-I354 WeakPolarHBondContact OH-CD1 2.73Å; Y331-D356 CarbonylContact C-O 3.56Å; Y331-D356 WeakPolarHBondContact CA-O 3.41Å; Y331-D356 HydrophobicContact CD1-CB 3.49Å; Y331-D356 VanDerWaalsContact CD1-CB 3.49Å; Y331-D356 WeakPolarHBondContact CD1-OD2 3.19Å; Y331-D356 HydrophobicContact CE1-CB 4Å; Y331-D356 HydrophobicContact CG-CB 4.19Å
332V94.7Very high89.5Confident0 Ų038.9 Ų38.90%020%0.198CC..  trans-136.618.7177.4-580000110.2L309 L317 L330 N335 L337 F355 D356 A357 N360L309-V332 HydrophobicContact CB-CG1 4.29Å; L309-V332 HydrophobicContact CD1-CG1 4.22Å; L317-V332 HydrophobicContact CD1-CG1 4.09Å; L317-V332 HydrophobicContact CD1-CG2 4.46Å; L317-V332 HydrophobicContact CD2-CG1 3.89Å; L330-V332 HydrophobicContact CD1-CG1 3.51Å; L330-V332 HydrophobicContact CG-CG1 3.88Å; V332-N335 WeakPolarHBondContact O-CB 3.35Å; V332-N335 PolarHBondContact O-ND2 3.23Å; V332-L337 HydrophobicContact CB-CD1 3.86Å; V332-L337 HydrophobicContact CG2-CD1 3.52Å; V332-F355 HydrophobicContact CG2-CZ 4.34Å; V332-D356 PolarHBondContact N-O 2.94Å; V332-A357 HydrophobicContact CG2-CB 3.37Å; V332-N360 PolarHBondContact O-ND2 3.32Å
333N93.8Very high89.6Confident19 Ų1938 Ų3810%0.10219%0.194CC..  trans-72.7159.3-174.455.2-36.7000114.5S310 Y311 N335 D356 S358S310-N333 CarbonylContact C-O 3.6Å; S310-N333 WeakPolarHBondContact CA-O 3.47Å; S310-N333 WeakPolarHBondContact CB-O 3.44Å; S310-N333 WeakPolarHBondContact CB-OD1 3.41Å; Y311-N333 PolarHBondContact N-O 3.48Å; N333-N335 PolarHBondContact O-ND2 2.87Å; N333-D356 WeakPolarHBondContact CB-OD1 3.24Å; N333-D356 VanDerWaalsContact CG-OD2 3.29Å; N333-D356 PolarHBondContact N-O 2.67Å; N333-D356 PolarHBondContact ND2-OD2 3.08Å; N333-S358 CarbonylContact C-O 3.58Å; N333-S358 WeakPolarHBondContact CA-O 3.39Å; N333-S358 WeakPolarHBondContact CB-O 3.37Å; N333-S358 WeakPolarHBondContact CB-OG 3.28Å; N333-S358 PolarHBondContact ND2-OG 2.77Å
334N96.4Very high89.1Confident37 Ų3735.2 Ų35.220%0.19820%0.2CC..SBendtrans5659.4-171.8-64.9-88.1000111.1Y311 N312 S358 H359Y311-N334 CarbonylContact C-O 3.58Å; Y311-N334 WeakPolarHBondContact CA-O 3.36Å; Y311-N334 HydrophobicContact CD1-CB 3.43Å; Y311-N334 VanDerWaalsContact CD1-CB 3.43Å; Y311-N334 HydrophobicContact CD2-CB 4.01Å; Y311-N334 HydrophobicContact CE1-CB 3.65Å; Y311-N334 WeakPolarHBondContact CE1-OD1 3.49Å; Y311-N334 HydrophobicContact CE2-CB 4.2Å; Y311-N334 HydrophobicContact CG-CB 3.64Å; Y311-N334 VanDerWaalsContact CZ-CG 3.47Å; Y311-N334 PolarHBondContact N-O 3.04Å; Y311-N334 VanDerWaalsContact N-O 3.13Å; Y311-N334 PolarHBondContact OH-ND2 3.25Å; N312-N334 PolarHBondContact N-O 2.88Å; N312-N334 VanDerWaalsContact N-O 3.13Å; N334-S358 PolarHBondContact N-O 2.95Å; N334-H359 CarbonylContact C-O 3.48Å; N334-H359 WeakPolarHBondContact CA-O 3.34Å; N334-H359 HydrophobicContact CB-CB 4.21Å; N334-H359 VanDerWaalsContact CG-CB 3.45Å; N334-H359 PolarHBondContact N-O 3.01Å; N334-H359 VanDerWaalsContact OD1-CB 3.26Å; N334-H359 WeakPolarHBondContact OD1-CB 3.45Å
335N91.4Very high88.8Confident13 Ų1336 Ų367%0.0721%0.208CC..SBendtrans-137.9-169.3177.7-87.4-78000109.7L309 N312 Q313 L314 V332 N333 L337 H359 N360L309-N335 PolarHBondContact O-ND2 3.49Å; N312-N335 VanDerWaalsContact CA-OD1 3.31Å; N312-N335 WeakPolarHBondContact CA-OD1 3.26Å; N312-N335 WeakPolarHBondContact CB-OD1 3.18Å; N312-N335 PolarHBondContact N-OD1 2.82Å; N312-N335 PolarHBondContact O-OD1 2.86Å; Q313-N335 PolarHBondContact N-OD1 2.79Å; L314-N335 HydrophobicContact CB-CB 4.22Å; L314-N335 WeakPolarHBondContact CB-OD1 3.47Å; L314-N335 VanDerWaalsContact CG-OD1 3.25Å; L314-N335 WeakPolarHBondContact CG-OD1 3.26Å; L314-N335 PolarHBondContact N-OD1 2.95Å; V332-N335 WeakPolarHBondContact O-CB 3.35Å; V332-N335 PolarHBondContact O-ND2 3.23Å; N333-N335 PolarHBondContact O-ND2 2.87Å; N335-L337 HydrophobicContact CB-CG 4.24Å; N335-H359 PolarHBondContact N-O 3.26Å; N335-N360 WeakPolarHBondContact CA-OD1 3.43Å; N335-N360 WeakPolarHBondContact CB-OD1 3.49Å; N335-N360 PolarHBondContact O-OD1 3.29Å
336Q89.8Confident88.9Confident84 Ų8433 Ų3339%0.39319%0.187SC..  trans-113.222.6-177.8-60174.925.200111.7L314 I315 T338 N360L314-Q336 CarbonylContact O-C 2.93Å; L314-Q336 VanDerWaalsContact O-CA 3.29Å; L314-Q336 WeakPolarHBondContact O-CA 3.36Å; L314-Q336 PolarHBondContact O-N 3.19Å; I315-Q336 HydrophobicContact CG1-CB 4.08Å; Q336-T338 PolarHBondContact O-N 3.36Å; Q336-N360 PolarHBondContact N-OD1 3.27Å
337L91.1Very high88.4Confident0 Ų031.7 Ų31.70%018%0.18CC..  trans-65.6119.5-171.8-61.6177.3000110.6L314 L317 V332 N335 N360 E361 L362L314-L337 HydrophobicContact CB-CD2 3.95Å; L314-L337 WeakPolarHBondContact O-CD2 3.19Å; L314-L337 PolarHBondContact O-N 3.21Å; L314-L337 VanDerWaalsContact O-N 3.07Å; L317-L337 HydrophobicContact CD1-CD1 3.99Å; L317-L337 HydrophobicContact CD2-CD1 4.3Å; L317-L337 HydrophobicContact CD2-CD2 4.23Å; L317-L337 HydrophobicContact CG-CD1 3.95Å; L317-L337 HydrophobicContact CG-CD2 3.87Å; V332-L337 HydrophobicContact CB-CD1 3.86Å; V332-L337 HydrophobicContact CG2-CD1 3.52Å; N335-L337 HydrophobicContact CB-CG 4.24Å; L337-N360 HydrophobicContact CB-CB 4.41Å; L337-N360 WeakPolarHBondContact CB-OD1 3.31Å; L337-N360 VanDerWaalsContact CG-OD1 3.28Å; L337-N360 WeakPolarHBondContact CG-OD1 3.4Å; L337-N360 PolarHBondContact N-OD1 3.29Å; L337-E361 CarbonylContact O-C 3.47Å; L337-E361 WeakPolarHBondContact O-CA 3.45Å; L337-E361 PolarHBondContact O-N 3.16Å; L337-L362 HydrophobicContact CB-CD2 3.78Å; L337-L362 HydrophobicContact CB-CG 4.45Å; L337-L362 WeakPolarHBondContact O-CA 3.28Å; L337-L362 WeakPolarHBondContact O-CD2 3.49Å; L337-L362 PolarHBondContact O-N 2.8Å
338T80.5Confident88.1Confident37 Ų3737.9 Ų37.923%0.22721%0.207CC..  trans-88.117816860.30000110.4Q336 G340 G341 E361 L362Q336-T338 PolarHBondContact O-N 3.36Å; T338-G340 VanDerWaalsContact C-N 3.3Å; T338-G340 PolarHBondContact O-N 2.88Å; T338-G341 VanDerWaalsContact O-CA 3.24Å; T338-G341 WeakPolarHBondContact O-CA 3.5Å; T338-G341 PolarHBondContact O-N 3.09Å; T338-E361 HydrophobicContact CG2-CB 4.1Å; T338-L362 WeakPolarHBondContact O-CD2 3.5Å
339F76.9Confident87.8Confident89 Ų8934.1 Ų34.139%0.3919%0.193SC..G310 helixtrans-54.5-45.3174.1161.4-122.6000112.5G341 I342 E363 T364 P366F339-G341 PolarHBondContact O-N 2.56Å; F339-I342 PolarHBondContact O-N 3.29Å; F339-I342 VanDerWaalsContact O-N 3.16Å; F339-E363 HydrophobicContact CB-CB 4.09Å; F339-T364 HydrophobicContact CB-CG2 4.09Å; F339-T364 HydrophobicContact CD1-CG2 4.28Å; F339-T364 HydrophobicContact CD2-CG2 3.37Å; F339-T364 WeakPolarHBondContact CD2-O 3.19Å; F339-T364 HydrophobicContact CE2-CG2 3.8Å; F339-T364 HydrophobicContact CG-CG2 3.63Å; F339-T364 HydrophobicContact CZ-CG2 4.42Å; F339-P366 HydrophobicContact CE2-CB 4.36Å
340G74.7Confident87.3Confident53 Ų5337.1 Ų37.155%0.54621%0.208SC..G310 helixtrans-65.5-4.717400000113.8H316 T338H316-G340 VanDerWaalsContact ND1-C 3.34Å; H316-G340 PolarHBondContact ND1-O 3.27Å; T338-G340 VanDerWaalsContact C-N 3.3Å; T338-G340 PolarHBondContact O-N 2.88Å
341G80.6Confident87Confident0 Ų038.6 Ų38.60%022%0.215CC..G310 helixtrans-89.9-0.8173.700000115.5H316 L317 T338 F339H316-G341 WeakPolarHBondContact ND1-CA 3.25Å; H316-G341 PolarHBondContact ND1-N 2.81Å; L317-G341 WeakPolarHBondContact CB-O 3.4Å; L317-G341 WeakPolarHBondContact CG-O 2.95Å; L317-G341 PolarHBondContact N-O 3.1Å; T338-G341 VanDerWaalsContact O-CA 3.24Å; T338-G341 WeakPolarHBondContact O-CA 3.5Å; T338-G341 PolarHBondContact O-N 3.09Å; F339-G341 PolarHBondContact O-N 2.56Å
342I90Very high86.9Confident6 Ų636.8 Ų36.83%0.03121%0.208CC..SBendtrans-113.9125.8166-54.6173.9000109L317 F339 S344 I346 F355 L362 I365 P366L317-I342 HydrophobicContact CD1-CG1 4.45Å; F339-I342 PolarHBondContact O-N 3.29Å; F339-I342 VanDerWaalsContact O-N 3.16Å; I342-S344 PolarHBondContact O-N 3.21Å; I342-I346 HydrophobicContact CG2-CB 4.19Å; I342-I346 HydrophobicContact CG2-CG1 4.32Å; I342-I346 HydrophobicContact CG2-CG2 4.03Å; I342-F355 HydrophobicContact CD1-CE1 4.07Å; I342-F355 HydrophobicContact CD1-CZ 3.78Å; I342-F355 HydrophobicContact CG1-CZ 4.39Å; I342-L362 HydrophobicContact CD1-CD1 3.82Å; I342-L362 HydrophobicContact CD1-CD2 3.5Å; I342-L362 VanDerWaalsContact CD1-CD2 3.5Å; I342-L362 HydrophobicContact CD1-CG 4.33Å; I342-L362 HydrophobicContact CG1-CD2 3.75Å; I342-I365 HydrophobicContact CD1-CB 4.41Å; I342-I365 HydrophobicContact CD1-CG2 4Å; I342-P366 HydrophobicContact CB-CG 4.08Å; I342-P366 HydrophobicContact CG2-CG 3.61Å
343P86.2Confident86.9Confident9 Ų938.3 Ų38.36%0.05822%0.215CC..  trans-64.9133.4-176.926.7-36.3000111.5T319 L321 I322 G345 I346T319-P343 HydrophobicContact CG2-CB 4.15Å; L321-P343 HydrophobicContact CD2-CG 4.46Å; I322-P343 HydrophobicContact CG2-CB 3.73Å; I322-P343 HydrophobicContact CG2-CG 3.57Å; P343-G345 PolarHBondContact O-N 3.08Å; P343-I346 HydrophobicContact CG-CB 4.39Å; P343-I346 HydrophobicContact CG-CD1 4.15Å; P343-I346 WeakPolarHBondContact O-CB 2.97Å; P343-I346 PolarHBondContact O-N 3.48Å
344S76Confident87Confident103 Ų10337.9 Ų37.972%0.7221%0.213SC*.THydrogen-bonded Turntrans-62.7-4.9-178.160.20000115.2I342 S368I342-S344 PolarHBondContact O-N 3.21Å; S344-S368 VanDerWaalsContact O-CB 3.27Å; S344-S368 WeakPolarHBondContact O-CB 3.16Å; S344-S368 PolarHBondContact O-OG 3.42Å
345G82.6Confident86.9Confident17 Ų1736.1 Ų36.118%0.17520%0.204CC..THydrogen-bonded Turntrans-104.19.4172.300000115.7I322 P343 G347 K348I322-G345 WeakPolarHBondContact CB-O 3.39Å; P343-G345 PolarHBondContact O-N 3.08Å; G345-G347 PolarHBondContact O-N 2.93Å; G345-K348 WeakPolarHBondContact O-CB 3.49Å; G345-K348 WeakPolarHBondContact O-CG 3.5Å; G345-K348 PolarHBondContact O-N 2.85Å
346I89Confident87.1Confident0 Ų036.2 Ų36.20%020%0.204CC..G310 helixtrans-53.9-25.9-177.7-16475.9000113.2L321 L330 I342 P343 K348 L349 P366 S368 L369L321-I346 HydrophobicContact CD2-CD1 3.7Å; L321-I346 HydrophobicContact CG-CD1 4.28Å; L330-I346 HydrophobicContact CD2-CD1 4.38Å; I342-I346 HydrophobicContact CG2-CB 4.19Å; I342-I346 HydrophobicContact CG2-CG1 4.32Å; I342-I346 HydrophobicContact CG2-CG2 4.03Å; P343-I346 HydrophobicContact CG-CB 4.39Å; P343-I346 HydrophobicContact CG-CD1 4.15Å; P343-I346 WeakPolarHBondContact O-CB 2.97Å; P343-I346 PolarHBondContact O-N 3.48Å; I346-K348 PolarHBondContact O-N 3.33Å; I346-L349 HydrophobicContact CD1-CD1 3.44Å; I346-L349 VanDerWaalsContact CD1-CD1 3.44Å; I346-L349 HydrophobicContact CD1-CG 4.29Å; I346-L349 HydrophobicContact CG1-CD1 3.96Å; I346-L349 WeakPolarHBondContact O-CB 3.34Å; I346-L349 VanDerWaalsContact O-CG 3.26Å; I346-L349 WeakPolarHBondContact O-CG 3.23Å; I346-L349 PolarHBondContact O-N 3.22Å; I346-P366 HydrophobicContact CG2-CG 3.66Å; I346-S368 PolarHBondContact N-OG 2.82Å; I346-L369 HydrophobicContact CG1-CD1 4.17Å; I346-L369 HydrophobicContact CG2-CB 3.59Å; I346-L369 HydrophobicContact CG2-CD1 4.08Å; I346-L369 HydrophobicContact CG2-CG 4.35Å
347G82.9Confident87.2Confident11 Ų1132.2 Ų32.211%0.11319%0.185CC..G310 helixtrans-621.617000000118G345 L349 S368G345-G347 PolarHBondContact O-N 2.93Å; G347-L349 VanDerWaalsContact C-N 3.28Å; G347-S368 VanDerWaalsContact CA-C 3.43Å; G347-S368 WeakPolarHBondContact CA-O 3.42Å; G347-S368 PolarHBondContact N-O 3.17Å; G347-S368 PolarHBondContact N-OG 3.09Å
348K86.7Confident87.3Confident130 Ų13032.4 Ų32.457%0.56519%0.187SC*.G310 helixtrans-79-14.4166.4-69.1-179.2175.9-169.40112.6I322 G345 I346 Q350I322-K348 HydrophobicContact CB-CD 4.48Å; I322-K348 HydrophobicContact CD1-CD 4.12Å; I322-K348 HydrophobicContact CG1-CD 4.05Å; I322-K348 WeakPolarHBondContact O-CB 3.36Å; G345-K348 WeakPolarHBondContact O-CB 3.49Å; G345-K348 WeakPolarHBondContact O-CG 3.5Å; G345-K348 PolarHBondContact O-N 2.85Å; I346-K348 PolarHBondContact O-N 3.33Å; K348-Q350 PolarHBondContact O-N 2.93Å
349L90.7Very high87.9Confident0 Ų034.6 Ų34.60%020%0.195CC..  trans-78.968.4173.2-53.3-176000109.6L324 L327 I346 G347 D351 L352 C372L324-L349 HydrophobicContact CB-CD2 4.26Å; L324-L349 WeakPolarHBondContact O-CD2 3.18Å; L327-L349 HydrophobicContact CB-CD1 4.46Å; L327-L349 HydrophobicContact CB-CD2 4.34Å; L327-L349 HydrophobicContact CD2-CD1 4.04Å; I346-L349 HydrophobicContact CD1-CD1 3.44Å; I346-L349 VanDerWaalsContact CD1-CD1 3.44Å; I346-L349 HydrophobicContact CD1-CG 4.29Å; I346-L349 HydrophobicContact CG1-CD1 3.96Å; I346-L349 WeakPolarHBondContact O-CB 3.34Å; I346-L349 VanDerWaalsContact O-CG 3.26Å; I346-L349 WeakPolarHBondContact O-CG 3.23Å; I346-L349 PolarHBondContact O-N 3.22Å; G347-L349 VanDerWaalsContact C-N 3.28Å; L349-D351 PolarHBondContact O-N 3.33Å; L349-L352 HydrophobicContact CB-CB 4.04Å; L349-L352 HydrophobicContact CB-CD2 4.41Å; L349-L352 HydrophobicContact CD1-CD2 4.36Å; L349-L352 VanDerWaalsContact O-CB 3.26Å; L349-L352 WeakPolarHBondContact O-CB 3.21Å; L349-L352 PolarHBondContact O-N 3.43Å; L349-C372 PolarHBondContact O-SG 2.75Å
350Q85.8Confident88.5Confident133 Ų13330.9 Ų30.962%0.62118%0.179SC*.THydrogen-bonded Turntrans-62.9-27.8-174.3-67.6-178.4-11.900112.8K348 L352K348-Q350 PolarHBondContact O-N 2.93Å; Q350-L352 VanDerWaalsContact C-N 3.33Å
351D90.4Very high89.1Confident31 Ų3131.2 Ų31.217%0.16617%0.166CC..THydrogen-bonded Turntrans-82.5-2.5179.7-69.4-14.7000114.2C326 R328 L349 E353 R374C326-D351 WeakPolarHBondContact CA-OD2 3.48Å; R328-D351 WeakPolarHBondContact CA-O 3.23Å; R328-D351 HydrophobicContact CG-CB 4.48Å; L349-D351 PolarHBondContact O-N 3.33Å; D351-E353 PolarHBondContact O-N 2.68Å; D351-E353 VanDerWaalsContact O-N 3.12Å; D351-R374 VanDerWaalsContact CG-NH1 3.33Å; D351-R374 IonicContact OD1-CZ 2.66Å; D351-R374 IonicContact OD1-NE 2.75Å; D351-R374 IonicContact OD1-NH1 3.54Å; D351-R374 PolarHBondContact OD1-NH1 3.26Å; D351-R374 IonicContact OD1-NH2 2.71Å; D351-R374 IonicContact OD2-NH1 3.99Å
352L94.6Very high89.5Confident0 Ų031.2 Ų31.20%017%0.166CC..  trans-64.5110.6-174-168.369.3000111.9L327 L330 L349 Q350 I354 F355 L369 C372 R374 L375L327-L352 HydrophobicContact CG-CD1 4.31Å; L327-L352 WeakPolarHBondContact O-CA 3.44Å; L327-L352 WeakPolarHBondContact O-CB 3.45Å; L327-L352 WeakPolarHBondContact O-CD1 3.44Å; L327-L352 PolarHBondContact O-N 3Å; L330-L352 HydrophobicContact CB-CD1 3.9Å; L349-L352 HydrophobicContact CB-CB 4.04Å; L349-L352 HydrophobicContact CB-CD2 4.41Å; L349-L352 HydrophobicContact CD1-CD2 4.36Å; L349-L352 VanDerWaalsContact O-CB 3.26Å; L349-L352 WeakPolarHBondContact O-CB 3.21Å; L349-L352 PolarHBondContact O-N 3.43Å; Q350-L352 VanDerWaalsContact C-N 3.33Å; L352-I354 WeakPolarHBondContact CD1-O 3.3Å; L352-F355 HydrophobicContact CD2-CB 4.14Å; L352-F355 HydrophobicContact CD2-CD2 4.13Å; L352-L369 HydrophobicContact CD2-CD1 3.7Å; L352-C372 HydrophobicContact CB-CB 4.09Å; L352-C372 HydrophobicContact CD2-CB 4.47Å; L352-R374 CarbonylContact O-C 3.42Å; L352-R374 VanDerWaalsContact O-C 3.22Å; L352-L375 HydrophobicContact CB-CD1 4.26Å; L352-L375 HydrophobicContact CD2-CD1 4.04Å; L352-L375 HydrophobicContact CG-CD1 3.75Å; L352-L375 WeakPolarHBondContact O-CA 3.43Å; L352-L375 WeakPolarHBondContact O-CB 3.19Å; L352-L375 VanDerWaalsContact O-CD1 3.26Å; L352-L375 WeakPolarHBondContact O-CD1 3.37Å; L352-L375 PolarHBondContact O-N 2.77Å
353E94.2Very high88.9Confident32 Ų3235.7 Ų35.715%0.1519%0.187CC..  trans-91.4-37.2176-63.3172.3-176.500113.1R328 K329 D351 R374 K376 R377R328-E353 HydrophobicContact CB-CB 4.33Å; R328-E353 HydrophobicContact CB-CG 4.05Å; R328-E353 WeakPolarHBondContact CD-OE1 3.11Å; R328-E353 HydrophobicContact CG-CG 4.26Å; R328-E353 IonicContact CZ-OE1 2.56Å; R328-E353 IonicContact NE-OE1 2.84Å; R328-E353 IonicContact NH1-OE1 2.67Å; R328-E353 PolarHBondContact NH1-OE1 2.97Å; R328-E353 CarbonylContact O-C 3.59Å; R328-E353 VanDerWaalsContact O-CA 3.28Å; R328-E353 WeakPolarHBondContact O-CA 3.43Å; R328-E353 WeakPolarHBondContact O-CB 2.97Å; R328-E353 PolarHBondContact O-N 3.02Å; K329-E353 WeakPolarHBondContact CE-OE2 3.32Å; K329-E353 IonicContact NZ-OE2 3.46Å; K329-E353 PolarHBondContact NZ-OE2 2.89Å; D351-E353 PolarHBondContact O-N 2.68Å; D351-E353 VanDerWaalsContact O-N 3.12Å; E353-R374 WeakPolarHBondContact CA-O 3.02Å; E353-K376 CarbonylContact O-C 3.53Å; E353-K376 WeakPolarHBondContact O-CA 3.24Å; E353-K376 WeakPolarHBondContact O-CB 3.05Å; E353-K376 PolarHBondContact O-N 3.14Å; E353-R377 PolarHBondContact O-N 2.84Å
354I96.4Very high88.7Confident11 Ų1136.5 Ų36.56%0.05619%0.191CC..EExtended strand (participates in β ladder)trans-130126.7-177.4-54.3-176.5000108.8R328 K329 L330 Y331 L352 R377R328-I354 PolarHBondContact O-N 3.26Å; K329-I354 CarbonylContact C-O 3.51Å; K329-I354 WeakPolarHBondContact CA-O 3.33Å; K329-I354 HydrophobicContact CB-CB 4.15Å; K329-I354 HydrophobicContact CD-CD1 3.77Å; K329-I354 HydrophobicContact CD-CG1 4.29Å; K329-I354 HydrophobicContact CG-CB 4Å; K329-I354 HydrophobicContact CG-CD1 3.92Å; K329-I354 HydrophobicContact CG-CG1 3.92Å; L330-I354 PolarHBondContact N-O 2.93Å; Y331-I354 HydrophobicContact CE1-CG2 4.24Å; Y331-I354 HydrophobicContact CE2-CG2 4.43Å; Y331-I354 WeakPolarHBondContact OH-CD1 2.73Å; L352-I354 WeakPolarHBondContact CD1-O 3.3Å; I354-R377 CarbonylContact C-O 3.58Å; I354-R377 VanDerWaalsContact CA-O 3.24Å; I354-R377 WeakPolarHBondContact CA-O 3.5Å; I354-R377 HydrophobicContact CB-CB 4.32Å; I354-R377 HydrophobicContact CD1-CG 4.45Å; I354-R377 HydrophobicContact CG1-CB 3.96Å; I354-R377 HydrophobicContact CG1-CG 4.1Å; I354-R377 HydrophobicContact CG2-CB 4.1Å
355F95.1Very high89.3Confident0 Ų031.7 Ų31.70%016%0.158CC..EExtended strand (participates in β ladder)trans-126.3104.7164.8-174.7-94.1000108.9L330 V332 I342 L352 A357 L369 L375 R377 L378 I379 L380L330-F355 HydrophobicContact CB-CD2 4.07Å; L330-F355 HydrophobicContact CD2-CD2 3.79Å; L330-F355 HydrophobicContact CD2-CE2 3.62Å; L330-F355 HydrophobicContact CG-CD2 3.98Å; L330-F355 HydrophobicContact CG-CE2 4.05Å; L330-F355 CarbonylContact O-C 3.52Å; L330-F355 WeakPolarHBondContact O-CA 3.35Å; V332-F355 HydrophobicContact CG2-CZ 4.34Å; I342-F355 HydrophobicContact CD1-CE1 4.07Å; I342-F355 HydrophobicContact CD1-CZ 3.78Å; I342-F355 HydrophobicContact CG1-CZ 4.39Å; L352-F355 HydrophobicContact CD2-CB 4.14Å; L352-F355 HydrophobicContact CD2-CD2 4.13Å; F355-A357 HydrophobicContact CD1-CB 4.1Å; F355-A357 HydrophobicContact CE1-CB 3.4Å; F355-A357 VanDerWaalsContact CE1-CB 3.4Å; F355-A357 HydrophobicContact CZ-CB 3.89Å; F355-L369 HydrophobicContact CD1-CD2 3.71Å; F355-L369 HydrophobicContact CD2-CD1 4.31Å; F355-L369 HydrophobicContact CD2-CD2 4.44Å; F355-L369 HydrophobicContact CE1-CD2 3.72Å; F355-L369 HydrophobicContact CE2-CD2 4.47Å; F355-L369 HydrophobicContact CG-CD1 4.32Å; F355-L369 HydrophobicContact CG-CD2 4.07Å; F355-L369 HydrophobicContact CZ-CD2 4.13Å; F355-L375 HydrophobicContact CB-CD1 4.15Å; F355-R377 PolarHBondContact N-O 2.97Å; F355-L378 HydrophobicContact CB-CD1 3.96Å; F355-L378 HydrophobicContact CD1-CD1 3.64Å; F355-L378 HydrophobicContact CG-CD1 4.25Å; F355-L378 WeakPolarHBondContact O-CA 3.39Å; F355-I379 PolarHBondContact O-N 2.94Å; F355-L380 HydrophobicContact CD1-CD2 3.91Å; F355-L380 HydrophobicContact CE1-CD2 3.88Å
356D95.8Very high89.4Confident14 Ų1431.1 Ų31.18%0.07515%0.151CC..EExtended strand (participates in β ladder)trans-105.7100174.8-178.41.8000109.9L330 Y331 V332 N333 S358 I379L330-D356 PolarHBondContact O-N 3.44Å; Y331-D356 CarbonylContact C-O 3.56Å; Y331-D356 WeakPolarHBondContact CA-O 3.41Å; Y331-D356 HydrophobicContact CD1-CB 3.49Å; Y331-D356 VanDerWaalsContact CD1-CB 3.49Å; Y331-D356 WeakPolarHBondContact CD1-OD2 3.19Å; Y331-D356 HydrophobicContact CE1-CB 4Å; Y331-D356 HydrophobicContact CG-CB 4.19Å; V332-D356 PolarHBondContact N-O 2.94Å; N333-D356 WeakPolarHBondContact CB-OD1 3.24Å; N333-D356 VanDerWaalsContact CG-OD2 3.29Å; N333-D356 PolarHBondContact N-O 2.67Å; N333-D356 PolarHBondContact ND2-OD2 3.08Å; D356-S358 VanDerWaalsContact OD1-CB 3.24Å; D356-S358 WeakPolarHBondContact OD1-CB 3.28Å; D356-S358 PolarHBondContact OD1-N 3.18Å; D356-S358 PolarHBondContact OD1-OG 2.61Å; D356-I379 CarbonylContact C-O 3.38Å; D356-I379 VanDerWaalsContact CA-O 3.26Å; D356-I379 WeakPolarHBondContact CA-O 3.26Å; D356-I379 HydrophobicContact CB-CB 3.9Å; D356-I379 HydrophobicContact CB-CD1 4.41Å; D356-I379 HydrophobicContact CB-CG2 4.26Å; D356-I379 VanDerWaalsContact OD1-CG2 3.3Å; D356-I379 WeakPolarHBondContact OD1-CG2 3.48Å
357A92.1Very high89Confident0 Ų035.9 Ų35.90%017%0.173CC..  trans-113.527.9171.300000111.9V332 F355 N360 L362 I379 L380 N383V332-A357 HydrophobicContact CG2-CB 3.37Å; F355-A357 HydrophobicContact CD1-CB 4.1Å; F355-A357 HydrophobicContact CE1-CB 3.4Å; F355-A357 VanDerWaalsContact CE1-CB 3.4Å; F355-A357 HydrophobicContact CZ-CB 3.89Å; A357-N360 WeakPolarHBondContact O-CB 3.2Å; A357-N360 PolarHBondContact O-ND2 2.73Å; A357-N360 VanDerWaalsContact O-ND2 3.08Å; A357-L362 HydrophobicContact CB-CD1 3.71Å; A357-I379 PolarHBondContact N-O 2.88Å; A357-L380 HydrophobicContact CB-CD2 3.87Å; A357-N383 PolarHBondContact O-ND2 2.91Å
358S91.8Very high89.1Confident4 Ų436 Ų363%0.02817%0.173CC..  trans-55.9163.6175.960.70000113.6N333 N334 D356 N360 I379 N381N333-S358 CarbonylContact C-O 3.58Å; N333-S358 WeakPolarHBondContact CA-O 3.39Å; N333-S358 WeakPolarHBondContact CB-O 3.37Å; N333-S358 WeakPolarHBondContact CB-OG 3.28Å; N333-S358 PolarHBondContact ND2-OG 2.77Å; N334-S358 PolarHBondContact N-O 2.95Å; D356-S358 VanDerWaalsContact OD1-CB 3.24Å; D356-S358 WeakPolarHBondContact OD1-CB 3.28Å; D356-S358 PolarHBondContact OD1-N 3.18Å; D356-S358 PolarHBondContact OD1-OG 2.61Å; S358-N360 PolarHBondContact O-N 2.79Å; S358-N360 PolarHBondContact O-ND2 2.84Å; S358-I379 PolarHBondContact N-O 3Å; S358-N381 CarbonylContact C-O 3.29Å; S358-N381 VanDerWaalsContact C-O 3.32Å; S358-N381 WeakPolarHBondContact CA-O 3.24Å; S358-N381 VanDerWaalsContact CB-CG 3.46Å; S358-N381 WeakPolarHBondContact CB-O 3.36Å; S358-N381 WeakPolarHBondContact CB-OD1 3.31Å
359H93.9Very high89.2Confident84 Ų8429.9 Ų29.939%0.38915%0.146SC..SBendtrans51.959.3177.8-67.2-106.2000112.7N334 N335 N381 S382N334-H359 CarbonylContact C-O 3.48Å; N334-H359 WeakPolarHBondContact CA-O 3.34Å; N334-H359 HydrophobicContact CB-CB 4.21Å; N334-H359 VanDerWaalsContact CG-CB 3.45Å; N334-H359 PolarHBondContact N-O 3.01Å; N334-H359 VanDerWaalsContact OD1-CB 3.26Å; N334-H359 WeakPolarHBondContact OD1-CB 3.45Å; N335-H359 PolarHBondContact N-O 3.26Å; H359-N381 PolarHBondContact N-O 3.24Å; H359-S382 WeakPolarHBondContact CA-O 3.42Å; H359-S382 VanDerWaalsContact CD2-CB 3.5Å; H359-S382 WeakPolarHBondContact CD2-CB 3.46Å; H359-S382 PolarHBondContact CD2-OG 3.42Å; H359-S382 PolarHBondContact CE1-OG 2.8Å; H359-S382 VanDerWaalsContact CE1-OG 3.26Å; H359-S382 PolarHBondContact N-O 3.23Å; H359-S382 WeakPolarHBondContact NE2-CB 3.35Å; H359-S382 PolarHBondContact NE2-OG 3.3Å
360N90.1Very high88.7Confident11 Ų1130 Ų306%0.05915%0.147CC..SBendtrans-142.6-174.7-175.6-93.9-80.5000111.2V332 N335 Q336 L337 A357 S358 L362 S382 N383V332-N360 PolarHBondContact O-ND2 3.32Å; N335-N360 WeakPolarHBondContact CA-OD1 3.43Å; N335-N360 WeakPolarHBondContact CB-OD1 3.49Å; N335-N360 PolarHBondContact O-OD1 3.29Å; Q336-N360 PolarHBondContact N-OD1 3.27Å; L337-N360 HydrophobicContact CB-CB 4.41Å; L337-N360 WeakPolarHBondContact CB-OD1 3.31Å; L337-N360 VanDerWaalsContact CG-OD1 3.28Å; L337-N360 WeakPolarHBondContact CG-OD1 3.4Å; L337-N360 PolarHBondContact N-OD1 3.29Å; A357-N360 WeakPolarHBondContact O-CB 3.2Å; A357-N360 PolarHBondContact O-ND2 2.73Å; A357-N360 VanDerWaalsContact O-ND2 3.08Å; S358-N360 PolarHBondContact O-N 2.79Å; S358-N360 PolarHBondContact O-ND2 2.84Å; N360-L362 HydrophobicContact CB-CG 4.2Å; N360-S382 PolarHBondContact N-O 3.13Å; N360-N383 WeakPolarHBondContact CA-OD1 3.02Å; N360-N383 WeakPolarHBondContact CB-OD1 3.23Å; N360-N383 WeakPolarHBondContact O-CA 3.31Å; N360-N383 PolarHBondContact O-OD1 3.14Å
361E87Confident88.6Confident59 Ų5931.2 Ų31.228%0.27615%0.146SC..  trans-105.120.5179.9-52.5-156.6155.800113.4L337 T338 E363 R384L337-E361 CarbonylContact O-C 3.47Å; L337-E361 WeakPolarHBondContact O-CA 3.45Å; L337-E361 PolarHBondContact O-N 3.16Å; T338-E361 HydrophobicContact CG2-CB 4.1Å; E361-E363 PolarHBondContact O-N 3.03Å; E361-E363 VanDerWaalsContact O-N 3.14Å; E361-R384 IonicContact OE1-CZ 2.66Å; E361-R384 IonicContact OE1-NH1 3.36Å; E361-R384 PolarHBondContact OE1-NH1 3.09Å; E361-R384 IonicContact OE1-NH2 3.63Å; E361-R384 PolarHBondContact OE1-NH2 2.96Å; E361-R384 IonicContact OE2-CZ 2.64Å; E361-R384 IonicContact OE2-NH1 3.38Å; E361-R384 PolarHBondContact OE2-NH1 2.84Å; E361-R384 IonicContact OE2-NH2 2.85Å; E361-R384 PolarHBondContact OE2-NH2 3.05Å
362L89.1Confident88.4Confident0 Ų029.8 Ų29.80%014%0.138CC..  trans-66.1114.9-168.8-63.3173.8000111.1L337 T338 I342 A357 N360 I365 L380 N383 R384 L385L337-L362 HydrophobicContact CB-CD2 3.78Å; L337-L362 HydrophobicContact CB-CG 4.45Å; L337-L362 WeakPolarHBondContact O-CA 3.28Å; L337-L362 WeakPolarHBondContact O-CD2 3.49Å; L337-L362 PolarHBondContact O-N 2.8Å; T338-L362 WeakPolarHBondContact O-CD2 3.5Å; I342-L362 HydrophobicContact CD1-CD1 3.82Å; I342-L362 HydrophobicContact CD1-CD2 3.5Å; I342-L362 VanDerWaalsContact CD1-CD2 3.5Å; I342-L362 HydrophobicContact CD1-CG 4.33Å; I342-L362 HydrophobicContact CG1-CD2 3.75Å; A357-L362 HydrophobicContact CB-CD1 3.71Å; N360-L362 HydrophobicContact CB-CG 4.2Å; L362-I365 HydrophobicContact CD1-CG2 4.45Å; L362-L380 HydrophobicContact CD1-CD2 4.24Å; L362-N383 HydrophobicContact CB-CB 4.42Å; L362-N383 WeakPolarHBondContact CB-OD1 3.39Å; L362-N383 VanDerWaalsContact CG-OD1 3.23Å; L362-N383 WeakPolarHBondContact CG-OD1 3.5Å; L362-N383 PolarHBondContact N-OD1 3.2Å; L362-R384 CarbonylContact O-C 3.39Å; L362-R384 PolarHBondContact O-N 3.3Å; L362-L385 HydrophobicContact CB-CD2 3.9Å; L362-L385 WeakPolarHBondContact O-CA 3.26Å; L362-L385 WeakPolarHBondContact O-CD2 3.41Å; L362-L385 PolarHBondContact O-N 2.83Å
363E77.4Confident87.6Confident101 Ų10132.4 Ų32.447%0.47217%0.165SC..SBendtrans-75.3-26.4172.6-59.1178.8164.700112.1F339 E361 L386F339-E363 HydrophobicContact CB-CB 4.09Å; E361-E363 PolarHBondContact O-N 3.03Å; E361-E363 VanDerWaalsContact O-N 3.14Å; E363-L386 HydrophobicContact CB-CD1 4.19Å; E363-L386 HydrophobicContact CB-CG 4.33Å; E363-L386 WeakPolarHBondContact O-CB 3.26Å; E363-L386 PolarHBondContact O-N 3.01Å
364T80.8Confident87.3Confident25 Ų2537.1 Ų37.115%0.15318%0.182CC..  trans-166.9164.5169.1179.90000108.5F339 T387F339-T364 HydrophobicContact CB-CG2 4.09Å; F339-T364 HydrophobicContact CD1-CG2 4.28Å; F339-T364 HydrophobicContact CD2-CG2 3.37Å; F339-T364 WeakPolarHBondContact CD2-O 3.19Å; F339-T364 HydrophobicContact CE2-CG2 3.8Å; F339-T364 HydrophobicContact CG-CG2 3.63Å; F339-T364 HydrophobicContact CZ-CG2 4.42Å; T364-T387 WeakPolarHBondContact CB-O 3.37Å; T364-T387 PolarHBondContact OG1-O 2.78Å
365I88.1Confident87Confident2 Ų236.6 Ų36.61%0.0118%0.179CC..  trans-88.7156.816266.7178.5000110I342 L362 L369 L378 L380 L388 P389 I392I342-I365 HydrophobicContact CD1-CB 4.41Å; I342-I365 HydrophobicContact CD1-CG2 4Å; L362-I365 HydrophobicContact CD1-CG2 4.45Å; I365-L369 HydrophobicContact CB-CD2 3.98Å; I365-L369 HydrophobicContact CD1-CB 4.27Å; I365-L369 HydrophobicContact CD1-CD2 3.86Å; I365-L369 HydrophobicContact CD1-CG 4.28Å; I365-L369 HydrophobicContact CG1-CD2 4.41Å; I365-L369 HydrophobicContact CG2-CD2 4.08Å; I365-L378 HydrophobicContact CD1-CD2 4.39Å; I365-L380 HydrophobicContact CG2-CD1 3.92Å; I365-L380 HydrophobicContact CG2-CD2 4.19Å; I365-L388 HydrophobicContact CD1-CD2 3.75Å; I365-L388 HydrophobicContact CG1-CD2 3.69Å; I365-L388 HydrophobicContact CG2-CD2 4.23Å; I365-P389 HydrophobicContact CG1-CG 3.9Å; I365-P389 VanDerWaalsContact O-CG 3.27Å; I365-P389 WeakPolarHBondContact O-CG 3.41Å; I365-I392 HydrophobicContact CD1-CD1 4.21Å
366P86.3Confident86.7Confident6 Ų640.8 Ų40.84%0.03920%0.197CC..  trans-74.5147.4173.829.5-36.1000112.3F339 I342 I346 S368 L369F339-P366 HydrophobicContact CE2-CB 4.36Å; I342-P366 HydrophobicContact CB-CG 4.08Å; I342-P366 HydrophobicContact CG2-CG 3.61Å; I346-P366 HydrophobicContact CG2-CG 3.66Å; P366-S368 PolarHBondContact O-N 2.78Å; P366-L369 WeakPolarHBondContact O-CB 3.2Å; P366-L369 PolarHBondContact O-N 3.24Å
367E79.6Confident86.6Confident99 Ų9944 Ų4446%0.46321%0.208SC..G310 helixtrans-54.5-26.2-179.8-161.7-146.3111.400114.5C370 R371 P389 A391E367-C370 WeakPolarHBondContact O-CB 3.38Å; E367-C370 PolarHBondContact O-N 3.21Å; E367-R371 IonicContact OE1-CZ 3.77Å; E367-R371 IonicContact OE1-NE 3.53Å; E367-R371 IonicContact OE1-NH2 3.15Å; E367-R371 PolarHBondContact OE1-NH2 3.47Å; E367-P389 VanDerWaalsContact CA-CG 3.47Å; E367-P389 HydrophobicContact CB-CB 3.88Å; E367-P389 HydrophobicContact CB-CG 4.29Å; E367-P389 HydrophobicContact CG-CB 3.85Å; E367-A391 HydrophobicContact CG-CB 4.24Å
368S86.3Confident86.6Confident15 Ų1544 Ų4411%0.10521%0.208CC..G310 helixtrans-70.1-28.6176.465.80000113S344 I346 G347 P366 C370 R371S344-S368 VanDerWaalsContact O-CB 3.27Å; S344-S368 WeakPolarHBondContact O-CB 3.16Å; S344-S368 PolarHBondContact O-OG 3.42Å; I346-S368 PolarHBondContact N-OG 2.82Å; G347-S368 VanDerWaalsContact CA-C 3.43Å; G347-S368 WeakPolarHBondContact CA-O 3.42Å; G347-S368 PolarHBondContact N-O 3.17Å; G347-S368 PolarHBondContact N-OG 3.09Å; P366-S368 PolarHBondContact O-N 2.78Å; S368-C370 PolarHBondContact O-N 3.17Å; S368-R371 WeakPolarHBondContact O-CA 3.2Å; S368-R371 VanDerWaalsContact O-CB 3.28Å; S368-R371 WeakPolarHBondContact O-CB 3.37Å; S368-R371 PolarHBondContact O-N 3.38Å
369L88.5Confident86.7Confident0 Ų044 Ų440%021%0.208CC..G310 helixtrans-57.7-29.1176.5-172.452.8000111.9I346 L352 F355 I365 P366 R371 C372 L378I346-L369 HydrophobicContact CG1-CD1 4.17Å; I346-L369 HydrophobicContact CG2-CB 3.59Å; I346-L369 HydrophobicContact CG2-CD1 4.08Å; I346-L369 HydrophobicContact CG2-CG 4.35Å; L352-L369 HydrophobicContact CD2-CD1 3.7Å; F355-L369 HydrophobicContact CD1-CD2 3.71Å; F355-L369 HydrophobicContact CD2-CD1 4.31Å; F355-L369 HydrophobicContact CD2-CD2 4.44Å; F355-L369 HydrophobicContact CE1-CD2 3.72Å; F355-L369 HydrophobicContact CE2-CD2 4.47Å; F355-L369 HydrophobicContact CG-CD1 4.32Å; F355-L369 HydrophobicContact CG-CD2 4.07Å; F355-L369 HydrophobicContact CZ-CD2 4.13Å; I365-L369 HydrophobicContact CB-CD2 3.98Å; I365-L369 HydrophobicContact CD1-CB 4.27Å; I365-L369 HydrophobicContact CD1-CD2 3.86Å; I365-L369 HydrophobicContact CD1-CG 4.28Å; I365-L369 HydrophobicContact CG1-CD2 4.41Å; I365-L369 HydrophobicContact CG2-CD2 4.08Å; P366-L369 WeakPolarHBondContact O-CB 3.2Å; P366-L369 PolarHBondContact O-N 3.24Å; L369-R371 PolarHBondContact O-N 3.21Å; L369-C372 WeakPolarHBondContact O-CB 3.41Å; L369-C372 PolarHBondContact O-N 3.07Å; L369-C372 PolarHBondContact O-SG 3.24Å; L369-L378 HydrophobicContact CD2-CD1 4.34Å
370C80.4Confident86.5Confident4 Ų440 Ų403%0.02719%0.19CC..G310 helixtrans-72.1-2.7175.1-48.60000114.7E367 S368 A391 I392E367-C370 WeakPolarHBondContact O-CB 3.38Å; E367-C370 PolarHBondContact O-N 3.21Å; S368-C370 PolarHBondContact O-N 3.17Å; C370-A391 VanDerWaalsContact CB-C 3.4Å; C370-A391 HydrophobicContact CB-CB 3.42Å; C370-A391 VanDerWaalsContact CB-CB 3.42Å; C370-A391 WeakPolarHBondContact CB-O 2.99Å; C370-I392 HydrophobicContact CB-CB 4.5Å; C370-I392 WeakPolarHBondContact SG-CA 3.42Å; C370-I392 VanDerWaalsContact SG-CB 3.57Å; C370-I392 PolarHBondContact SG-N 2.95Å; C370-I392 VanDerWaalsContact SG-N 3.41Å
371R83.5Confident86.4Confident158 Ų15840.6 Ų40.660%0.59619%0.193SC*.G310 helixtrans-103.51177.7-50.5-178.5-173.9-164.90112.3E367 S368 L369 G373E367-R371 IonicContact OE1-CZ 3.77Å; E367-R371 IonicContact OE1-NE 3.53Å; E367-R371 IonicContact OE1-NH2 3.15Å; E367-R371 PolarHBondContact OE1-NH2 3.47Å; S368-R371 WeakPolarHBondContact O-CA 3.2Å; S368-R371 VanDerWaalsContact O-CB 3.28Å; S368-R371 WeakPolarHBondContact O-CB 3.37Å; S368-R371 PolarHBondContact O-N 3.38Å; L369-R371 PolarHBondContact O-N 3.21Å; R371-G373 VanDerWaalsContact C-N 3.32Å; R371-G373 PolarHBondContact O-N 2.7Å
372C85.9Confident86.6Confident0 Ų039.1 Ų39.10%019%0.189CC..  trans-71.982.2169.7-66.70000110L349 L352 L369 R374 L375 L395L349-C372 PolarHBondContact O-SG 2.75Å; L352-C372 HydrophobicContact CB-CB 4.09Å; L352-C372 HydrophobicContact CD2-CB 4.47Å; L369-C372 WeakPolarHBondContact O-CB 3.41Å; L369-C372 PolarHBondContact O-N 3.07Å; L369-C372 PolarHBondContact O-SG 3.24Å; C372-R374 PolarHBondContact O-N 3.07Å; C372-L375 HydrophobicContact CB-CB 4.41Å; C372-L375 WeakPolarHBondContact O-CB 3.21Å; C372-L375 PolarHBondContact O-N 3.11Å; C372-L375 VanDerWaalsContact O-N 3.11Å; C372-L395 WeakPolarHBondContact O-CD2 3.43Å
373G77.6Confident86.4Confident56 Ų5639.6 Ų39.658%0.57719%0.191SC*.THydrogen-bonded Turntrans-64.6-1.2-168.700000117.3R371R371-G373 VanDerWaalsContact C-N 3.32Å; R371-G373 PolarHBondContact O-N 2.7Å
374R87.4Confident86.6Confident131 Ų13141 Ų4149%0.49419%0.192SC..THydrogen-bonded Turntrans-111.510.4174.4-62.7-164.1-173.2141.113.7114.3D351 L352 E353 C372 K376D351-R374 VanDerWaalsContact CG-NH1 3.33Å; D351-R374 IonicContact OD1-CZ 2.66Å; D351-R374 IonicContact OD1-NE 2.75Å; D351-R374 IonicContact OD1-NH1 3.54Å; D351-R374 PolarHBondContact OD1-NH1 3.26Å; D351-R374 IonicContact OD1-NH2 2.71Å; D351-R374 IonicContact OD2-NH1 3.99Å; L352-R374 CarbonylContact O-C 3.42Å; L352-R374 VanDerWaalsContact O-C 3.22Å; E353-R374 WeakPolarHBondContact CA-O 3.02Å; C372-R374 PolarHBondContact O-N 3.07Å; R374-K376 PolarHBondContact O-N 3.41Å
375L90.1Very high86.8Confident0 Ų039.8 Ų39.80%019%0.185CC..  trans-68116-173.3-157.670.8000111.6L352 F355 C372 L378 L395 S398 L399L352-L375 HydrophobicContact CB-CD1 4.26Å; L352-L375 HydrophobicContact CD2-CD1 4.04Å; L352-L375 HydrophobicContact CG-CD1 3.75Å; L352-L375 WeakPolarHBondContact O-CA 3.43Å; L352-L375 WeakPolarHBondContact O-CB 3.19Å; L352-L375 VanDerWaalsContact O-CD1 3.26Å; L352-L375 WeakPolarHBondContact O-CD1 3.37Å; L352-L375 PolarHBondContact O-N 2.77Å; F355-L375 HydrophobicContact CB-CD1 4.15Å; C372-L375 HydrophobicContact CB-CB 4.41Å; C372-L375 WeakPolarHBondContact O-CB 3.21Å; C372-L375 PolarHBondContact O-N 3.11Å; C372-L375 VanDerWaalsContact O-N 3.11Å; L375-L378 HydrophobicContact CD2-CB 3.99Å; L375-L378 HydrophobicContact CD2-CD1 4.34Å; L375-L378 HydrophobicContact CD2-CD2 4.16Å; L375-L378 HydrophobicContact CD2-CG 4.41Å; L375-L395 HydrophobicContact CB-CD1 3.89Å; L375-L395 HydrophobicContact CD2-CD1 3.78Å; L375-S398 VanDerWaalsContact O-O 3.11Å; L375-L399 HydrophobicContact CB-CD2 4.29Å; L375-L399 HydrophobicContact CD2-CD2 4.21Å; L375-L399 HydrophobicContact CG-CD2 3.89Å; L375-L399 WeakPolarHBondContact O-CD2 3.01Å; L375-L399 WeakPolarHBondContact O-CG 3Å
376K89Confident86Confident88 Ų8843.4 Ų43.438%0.38320%0.204SC..  trans-106.2-30.3-178.2-80177.6149.8-73.20113.6E353 R374 S398 L399 D400 V401E353-K376 CarbonylContact O-C 3.53Å; E353-K376 WeakPolarHBondContact O-CA 3.24Å; E353-K376 WeakPolarHBondContact O-CB 3.05Å; E353-K376 PolarHBondContact O-N 3.14Å; R374-K376 PolarHBondContact O-N 3.41Å; K376-S398 WeakPolarHBondContact CA-O 3.01Å; K376-L399 VanDerWaalsContact C-CD2 3.4Å; K376-L399 CarbonylContact O-C 3.57Å; K376-L399 VanDerWaalsContact O-CA 3.29Å; K376-L399 WeakPolarHBondContact O-CA 2.95Å; K376-D400 HydrophobicContact CB-CB 4.46Å; K376-D400 WeakPolarHBondContact CD-OD2 3.4Å; K376-D400 VanDerWaalsContact NZ-CG 3.28Å; K376-D400 IonicContact NZ-OD1 2.67Å; K376-D400 PolarHBondContact NZ-OD1 2.97Å; K376-D400 IonicContact NZ-OD2 2.67Å; K376-D400 PolarHBondContact NZ-OD2 3.17Å; K376-D400 CarbonylContact O-C 3.52Å; K376-D400 WeakPolarHBondContact O-CA 3.13Å; K376-D400 WeakPolarHBondContact O-CB 3.46Å; K376-D400 PolarHBondContact O-N 3.4Å; K376-V401 PolarHBondContact O-N 3.22Å
377R94.5Very high85.3Confident80 Ų8045.9 Ų45.930%0.30222%0.219SC..EExtended strand (participates in β ladder)trans-133.3128174.6-49.5-176.158.3-157.7-0.4110E353 I354 F355 I379 V401 E403E353-R377 PolarHBondContact O-N 2.84Å; I354-R377 CarbonylContact C-O 3.58Å; I354-R377 VanDerWaalsContact CA-O 3.24Å; I354-R377 WeakPolarHBondContact CA-O 3.5Å; I354-R377 HydrophobicContact CB-CB 4.32Å; I354-R377 HydrophobicContact CD1-CG 4.45Å; I354-R377 HydrophobicContact CG1-CB 3.96Å; I354-R377 HydrophobicContact CG1-CG 4.1Å; I354-R377 HydrophobicContact CG2-CB 4.1Å; F355-R377 PolarHBondContact N-O 2.97Å; R377-I379 HydrophobicContact CB-CD1 4.33Å; R377-I379 HydrophobicContact CB-CG1 4.42Å; R377-I379 VanDerWaalsContact NH2-CD1 3.31Å; R377-V401 CarbonylContact C-O 3.5Å; R377-V401 WeakPolarHBondContact CA-O 3.26Å; R377-V401 HydrophobicContact CB-CB 4.09Å; R377-V401 HydrophobicContact CG-CB 3.76Å; R377-V401 HydrophobicContact CG-CG2 3.98Å; R377-E403 IonicContact NH2-OE1 3.89Å
378L91.9Very high85.6Confident0 Ų041.3 Ų41.30%020%0.198CC..EExtended strand (participates in β ladder)trans-131.6105.4176174.359.8000106.8F355 I365 L369 L375 L380 I392 L399 V401 F402 E403F355-L378 HydrophobicContact CB-CD1 3.96Å; F355-L378 HydrophobicContact CD1-CD1 3.64Å; F355-L378 HydrophobicContact CG-CD1 4.25Å; F355-L378 WeakPolarHBondContact O-CA 3.39Å; I365-L378 HydrophobicContact CD1-CD2 4.39Å; L369-L378 HydrophobicContact CD2-CD1 4.34Å; L375-L378 HydrophobicContact CD2-CB 3.99Å; L375-L378 HydrophobicContact CD2-CD1 4.34Å; L375-L378 HydrophobicContact CD2-CD2 4.16Å; L375-L378 HydrophobicContact CD2-CG 4.41Å; L378-L380 HydrophobicContact CD1-CD1 3.86Å; L378-L380 HydrophobicContact CD1-CD2 3.81Å; L378-L380 HydrophobicContact CD1-CG 3.75Å; L378-L380 HydrophobicContact CD2-CD1 4.18Å; L378-L380 HydrophobicContact CG-CD1 3.92Å; L378-L380 HydrophobicContact CG-CG 4Å; L378-I392 HydrophobicContact CD2-CD1 3.45Å; L378-I392 VanDerWaalsContact CD2-CD1 3.45Å; L378-I392 HydrophobicContact CD2-CG1 4.14Å; L378-L399 HydrophobicContact CB-CD1 4.07Å; L378-L399 HydrophobicContact CB-CD2 3.69Å; L378-L399 HydrophobicContact CD2-CD1 4.37Å; L378-V401 PolarHBondContact N-O 2.97Å; L378-F402 HydrophobicContact CB-CD2 3.95Å; L378-F402 HydrophobicContact CD2-CD2 4.01Å; L378-F402 HydrophobicContact CD2-CE2 3.76Å; L378-F402 HydrophobicContact CG-CD2 4.01Å; L378-F402 HydrophobicContact CG-CE2 4.08Å; L378-F402 CarbonylContact O-C 3.59Å; L378-F402 WeakPolarHBondContact O-CA 3.44Å; L378-E403 PolarHBondContact O-N 3.02Å; L378-E403 VanDerWaalsContact O-O 3.1Å
379I94.2Very high85.4Confident6 Ų641.3 Ų41.33%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-117.3103.4-166.7-58.6172.8000106.3F355 D356 A357 S358 R377 N381 E403F355-I379 PolarHBondContact O-N 2.94Å; D356-I379 CarbonylContact C-O 3.38Å; D356-I379 VanDerWaalsContact CA-O 3.26Å; D356-I379 WeakPolarHBondContact CA-O 3.26Å; D356-I379 HydrophobicContact CB-CB 3.9Å; D356-I379 HydrophobicContact CB-CD1 4.41Å; D356-I379 HydrophobicContact CB-CG2 4.26Å; D356-I379 VanDerWaalsContact OD1-CG2 3.3Å; D356-I379 WeakPolarHBondContact OD1-CG2 3.48Å; A357-I379 PolarHBondContact N-O 2.88Å; S358-I379 PolarHBondContact N-O 3Å; R377-I379 HydrophobicContact CB-CD1 4.33Å; R377-I379 HydrophobicContact CB-CG1 4.42Å; R377-I379 VanDerWaalsContact NH2-CD1 3.31Å; I379-N381 WeakPolarHBondContact CG2-OD1 3.21Å; I379-E403 CarbonylContact C-O 3.53Å; I379-E403 WeakPolarHBondContact CA-O 3.38Å; I379-E403 HydrophobicContact CB-CB 4.3Å; I379-E403 HydrophobicContact CG1-CB 4.22Å; I379-E403 HydrophobicContact CG2-CB 4.04Å
380L88.9Confident84.3Confident0 Ų044.1 Ų44.10%021%0.213CC..  trans-126.812.2-173.3-54.9174.6000111.3F355 A357 L362 I365 L378 N383 L385 L388 E403 V404 N407F355-L380 HydrophobicContact CD1-CD2 3.91Å; F355-L380 HydrophobicContact CE1-CD2 3.88Å; A357-L380 HydrophobicContact CB-CD2 3.87Å; L362-L380 HydrophobicContact CD1-CD2 4.24Å; I365-L380 HydrophobicContact CG2-CD1 3.92Å; I365-L380 HydrophobicContact CG2-CD2 4.19Å; L378-L380 HydrophobicContact CD1-CD1 3.86Å; L378-L380 HydrophobicContact CD1-CD2 3.81Å; L378-L380 HydrophobicContact CD1-CG 3.75Å; L378-L380 HydrophobicContact CD2-CD1 4.18Å; L378-L380 HydrophobicContact CG-CD1 3.92Å; L378-L380 HydrophobicContact CG-CG 4Å; L380-N383 WeakPolarHBondContact O-CB 3.15Å; L380-N383 PolarHBondContact O-ND2 3.32Å; L380-L385 HydrophobicContact CB-CD1 3.81Å; L380-L385 HydrophobicContact CD1-CD1 3.92Å; L380-L385 HydrophobicContact CG-CD1 4.5Å; L380-L388 HydrophobicContact CD1-CD2 3.74Å; L380-E403 PolarHBondContact N-O 3.27Å; L380-V404 HydrophobicContact CB-CG1 4.4Å; L380-N407 PolarHBondContact O-ND2 3.29Å
381N88.5Confident84.2Confident22 Ų2244.5 Ų44.512%0.11822%0.216CC..  trans-54.6152.2-179.356.5-70.1000112.5S358 H359 I379 N383 D405S358-N381 CarbonylContact C-O 3.29Å; S358-N381 VanDerWaalsContact C-O 3.32Å; S358-N381 WeakPolarHBondContact CA-O 3.24Å; S358-N381 VanDerWaalsContact CB-CG 3.46Å; S358-N381 WeakPolarHBondContact CB-O 3.36Å; S358-N381 WeakPolarHBondContact CB-OD1 3.31Å; H359-N381 PolarHBondContact N-O 3.24Å; I379-N381 WeakPolarHBondContact CG2-OD1 3.21Å; N381-N383 PolarHBondContact O-N 2.82Å; N381-D405 CarbonylContact C-O 3.41Å; N381-D405 VanDerWaalsContact C-O 3.26Å; N381-D405 WeakPolarHBondContact CA-O 3.39Å; N381-D405 HydrophobicContact CB-CB 4.11Å; N381-D405 WeakPolarHBondContact CB-O 3.37Å
382S90.1Very high84Confident29 Ų2937 Ų3720%0.20319%0.188CC..SBendtrans60.344.1-179.8-43.80000113.3H359 N360 D405 N406H359-S382 WeakPolarHBondContact CA-O 3.42Å; H359-S382 VanDerWaalsContact CD2-CB 3.5Å; H359-S382 WeakPolarHBondContact CD2-CB 3.46Å; H359-S382 PolarHBondContact CD2-OG 3.42Å; H359-S382 PolarHBondContact CE1-OG 2.8Å; H359-S382 VanDerWaalsContact CE1-OG 3.26Å; H359-S382 PolarHBondContact N-O 3.23Å; H359-S382 WeakPolarHBondContact NE2-CB 3.35Å; H359-S382 PolarHBondContact NE2-OG 3.3Å; N360-S382 PolarHBondContact N-O 3.13Å; S382-D405 PolarHBondContact N-O 2.87Å; S382-N406 WeakPolarHBondContact CA-O 3.4Å; S382-N406 PolarHBondContact OG-ND2 3.11Å
383N86.3Confident83.1Confident9 Ų937.2 Ų37.25%0.04819%0.189CC..SBendtrans-113.4-175.9175.3-93.9-84.7000112.5A357 N360 L362 L380 N381 L385 N407A357-N383 PolarHBondContact O-ND2 2.91Å; N360-N383 WeakPolarHBondContact CA-OD1 3.02Å; N360-N383 WeakPolarHBondContact CB-OD1 3.23Å; N360-N383 WeakPolarHBondContact O-CA 3.31Å; N360-N383 PolarHBondContact O-OD1 3.14Å; L362-N383 HydrophobicContact CB-CB 4.42Å; L362-N383 WeakPolarHBondContact CB-OD1 3.39Å; L362-N383 VanDerWaalsContact CG-OD1 3.23Å; L362-N383 WeakPolarHBondContact CG-OD1 3.5Å; L362-N383 PolarHBondContact N-OD1 3.2Å; L380-N383 WeakPolarHBondContact O-CB 3.15Å; L380-N383 PolarHBondContact O-ND2 3.32Å; N381-N383 PolarHBondContact O-N 2.82Å; N383-L385 HydrophobicContact CB-CD1 4.47Å; N383-L385 HydrophobicContact CB-CG 3.99Å; N383-N407 WeakPolarHBondContact CA-OD1 2.99Å; N383-N407 WeakPolarHBondContact CB-OD1 3.12Å; N383-N407 PolarHBondContact N-ND2 3.12Å; N383-N407 PolarHBondContact N-OD1 3.01Å; N383-N407 PolarHBondContact O-OD1 3.07Å
384R81.5Confident82.7Confident130 Ų13037 Ų3749%0.49117%0.171SC..  trans-101.525.5171.9-61.5-175.2-176.3148.612.3112.7E361 L362 L386E361-R384 IonicContact OE1-CZ 2.66Å; E361-R384 IonicContact OE1-NH1 3.36Å; E361-R384 PolarHBondContact OE1-NH1 3.09Å; E361-R384 IonicContact OE1-NH2 3.63Å; E361-R384 PolarHBondContact OE1-NH2 2.96Å; E361-R384 IonicContact OE2-CZ 2.64Å; E361-R384 IonicContact OE2-NH1 3.38Å; E361-R384 PolarHBondContact OE2-NH1 2.84Å; E361-R384 IonicContact OE2-NH2 2.85Å; E361-R384 PolarHBondContact OE2-NH2 3.05Å; L362-R384 CarbonylContact O-C 3.39Å; L362-R384 PolarHBondContact O-N 3.3Å; R384-L386 PolarHBondContact O-N 2.96Å
385L85Confident82.1Confident0 Ų031 Ų310%015%0.149CC..  trans-59.5126.9-169.8-67.7167.9000109.5L362 L380 N383 L388 N407 Q409 L410L362-L385 HydrophobicContact CB-CD2 3.9Å; L362-L385 WeakPolarHBondContact O-CA 3.26Å; L362-L385 WeakPolarHBondContact O-CD2 3.41Å; L362-L385 PolarHBondContact O-N 2.83Å; L380-L385 HydrophobicContact CB-CD1 3.81Å; L380-L385 HydrophobicContact CD1-CD1 3.92Å; L380-L385 HydrophobicContact CG-CD1 4.5Å; N383-L385 HydrophobicContact CB-CD1 4.47Å; N383-L385 HydrophobicContact CB-CG 3.99Å; L385-L388 HydrophobicContact CD1-CD2 3.95Å; L385-L388 HydrophobicContact CD2-CD2 4Å; L385-N407 HydrophobicContact CB-CB 4.35Å; L385-N407 WeakPolarHBondContact CB-OD1 3.45Å; L385-N407 WeakPolarHBondContact CD1-OD1 3.36Å; L385-N407 WeakPolarHBondContact CG-OD1 3.32Å; L385-N407 PolarHBondContact N-OD1 3.09Å; L385-Q409 CarbonylContact O-C 3.57Å; L385-L410 HydrophobicContact CB-CB 4.1Å; L385-L410 HydrophobicContact CB-CD1 3.95Å; L385-L410 HydrophobicContact CB-CG 4.43Å; L385-L410 HydrophobicContact CD1-CD1 4.45Å; L385-L410 HydrophobicContact CD1-CD2 4.22Å; L385-L410 WeakPolarHBondContact O-CA 3.37Å; L385-L410 PolarHBondContact O-N 2.86Å
386L71.3Confident81Confident79 Ų7933.4 Ų33.441%0.41416%0.159SC..SBendtrans-90.2-34.7171.2-54178.3000109.6E363 R384 Q409 K411E363-L386 HydrophobicContact CB-CD1 4.19Å; E363-L386 HydrophobicContact CB-CG 4.33Å; E363-L386 WeakPolarHBondContact O-CB 3.26Å; E363-L386 PolarHBondContact O-N 3.01Å; R384-L386 PolarHBondContact O-N 2.96Å; L386-Q409 HydrophobicContact CD2-CB 3.95Å; L386-Q409 VanDerWaalsContact CD2-OE1 3.24Å; L386-K411 PolarHBondContact O-N 2.87Å
387T71.9Confident79.8Confident58 Ų5829.9 Ų29.936%0.35614%0.144SC..BIsolated β-bridgetrans-159.4176.4-180-165.50000111.1T364 K411T364-T387 WeakPolarHBondContact CB-O 3.37Å; T364-T387 PolarHBondContact OG1-O 2.78Å; T387-K411 WeakPolarHBondContact CA-O 3.4Å; T387-K411 PolarHBondContact OG1-O 2.79Å
388L85.4Confident78.7Confident2 Ų227.3 Ų27.31%0.0114%0.138CC..  trans-125.5163.8162.9-58.5166.8000108.2I365 L380 L385 I392 F402 L410 P413I365-L388 HydrophobicContact CD1-CD2 3.75Å; I365-L388 HydrophobicContact CG1-CD2 3.69Å; I365-L388 HydrophobicContact CG2-CD2 4.23Å; L380-L388 HydrophobicContact CD1-CD2 3.74Å; L385-L388 HydrophobicContact CD1-CD2 3.95Å; L385-L388 HydrophobicContact CD2-CD2 4Å; L388-I392 HydrophobicContact CB-CB 4.42Å; L388-I392 HydrophobicContact CB-CG2 3.88Å; L388-I392 HydrophobicContact CD1-CG2 4.46Å; L388-F402 HydrophobicContact CD1-CE2 4.09Å; L388-F402 HydrophobicContact CD1-CZ 3.64Å; L388-L410 HydrophobicContact CD1-CD1 4.24Å; L388-L410 HydrophobicContact CG-CD1 3.9Å; L388-P413 HydrophobicContact CB-CG 3.83Å; L388-P413 WeakPolarHBondContact O-CB 3.4Å; L388-P413 WeakPolarHBondContact O-CG 3.19Å
389P82.4Confident78.1Confident15 Ų1527.9 Ų27.910%0.09714%0.141CC..  trans-69.4157.1-173.5-21.933000114.9I365 E367 A391 I392 P413I365-P389 HydrophobicContact CG1-CG 3.9Å; I365-P389 VanDerWaalsContact O-CG 3.27Å; I365-P389 WeakPolarHBondContact O-CG 3.41Å; E367-P389 VanDerWaalsContact CA-CG 3.47Å; E367-P389 HydrophobicContact CB-CB 3.88Å; E367-P389 HydrophobicContact CB-CG 4.29Å; E367-P389 HydrophobicContact CG-CB 3.85Å; P389-A391 PolarHBondContact O-N 3.14Å; P389-I392 WeakPolarHBondContact O-CG2 3.46Å; P389-I392 PolarHBondContact O-N 2.81Å; P389-P413 WeakPolarHBondContact O-CG 3.26Å
390D64.8Low77.6Confident60 Ų6032.6 Ų32.632%0.32117%0.166SC..THydrogen-bonded Turntrans-58.83.9174.1-71.2-21.4000115P414 K475 C479D390-P414 VanDerWaalsContact OD1-CD 3.31Å; D390-P414 WeakPolarHBondContact OD1-CD 3.5Å; D390-P414 WeakPolarHBondContact OD1-CG 3.04Å; D390-K475 IonicContact OD1-NZ 2.91Å; D390-K475 IonicContact OD2-NZ 2.6Å; D390-K475 PolarHBondContact OD2-NZ 3.49Å; D390-C479 VanDerWaalsContact O-CB 3.31Å; D390-C479 WeakPolarHBondContact O-CB 3.43Å; D390-C479 PolarHBondContact O-N 3.07Å; D390-C479 PolarHBondContact O-SG 3.34Å
391A78.5Confident77.3Confident11 Ų1134.7 Ų34.79%0.09118%0.179CC..THydrogen-bonded Turntrans-115.5-9.7176.700000114.5E367 C370 P389 H393 Y394 C479E367-A391 HydrophobicContact CG-CB 4.24Å; C370-A391 VanDerWaalsContact CB-C 3.4Å; C370-A391 HydrophobicContact CB-CB 3.42Å; C370-A391 VanDerWaalsContact CB-CB 3.42Å; C370-A391 WeakPolarHBondContact CB-O 2.99Å; P389-A391 PolarHBondContact O-N 3.14Å; A391-H393 PolarHBondContact O-N 3.16Å; A391-H393 VanDerWaalsContact O-N 3.08Å; A391-Y394 HydrophobicContact CB-CD2 4Å; A391-Y394 HydrophobicContact CB-CE2 4.44Å; A391-Y394 WeakPolarHBondContact O-CB 3.37Å; A391-Y394 WeakPolarHBondContact O-CD2 3.2Å; A391-Y394 PolarHBondContact O-N 3.43Å; A391-C479 WeakPolarHBondContact CA-SG 3.37Å
392I79.1Confident77.1Confident2 Ų234.9 Ų34.91%0.0118%0.179CC..G310 helixtrans-63.9-23.1-168.9-172.454.2000114.7I365 C370 L378 L388 P389 L395 K396 P413 C479I365-I392 HydrophobicContact CD1-CD1 4.21Å; C370-I392 HydrophobicContact CB-CB 4.5Å; C370-I392 WeakPolarHBondContact SG-CA 3.42Å; C370-I392 VanDerWaalsContact SG-CB 3.57Å; C370-I392 PolarHBondContact SG-N 2.95Å; C370-I392 VanDerWaalsContact SG-N 3.41Å; L378-I392 HydrophobicContact CD2-CD1 3.45Å; L378-I392 VanDerWaalsContact CD2-CD1 3.45Å; L378-I392 HydrophobicContact CD2-CG1 4.14Å; L388-I392 HydrophobicContact CB-CB 4.42Å; L388-I392 HydrophobicContact CB-CG2 3.88Å; L388-I392 HydrophobicContact CD1-CG2 4.46Å; P389-I392 WeakPolarHBondContact O-CG2 3.46Å; P389-I392 PolarHBondContact O-N 2.81Å; I392-L395 HydrophobicContact CD1-CB 4.43Å; I392-L395 HydrophobicContact CD1-CD1 4.3Å; I392-L395 CarbonylContact O-C 3.34Å; I392-L395 WeakPolarHBondContact O-CA 3.41Å; I392-L395 WeakPolarHBondContact O-CB 3.35Å; I392-L395 PolarHBondContact O-N 2.64Å; I392-K396 PolarHBondContact O-N 3.46Å; I392-P413 HydrophobicContact CG2-CB 4.49Å; I392-P413 HydrophobicContact CG2-CG 3.24Å; I392-C479 PolarHBondContact N-SG 3.14Å; I392-C479 VanDerWaalsContact N-SG 3.39Å
393H66.7Low76.9Confident4 Ų435.9 Ų35.92%0.01918%0.18CC..G310 helixtrans-86.9-2.9178.3-61.6-115.8000114.9A391 L395 K396 I412 K415 C479A391-H393 PolarHBondContact O-N 3.16Å; A391-H393 VanDerWaalsContact O-N 3.08Å; H393-L395 PolarHBondContact O-N 3.07Å; H393-K396 HydrophobicContact CB-CB 4.05Å; H393-K396 WeakPolarHBondContact CE1-CB 3.27Å; H393-K396 WeakPolarHBondContact CE1-CD 3.16Å; H393-K396 WeakPolarHBondContact CE1-CG 3.03Å; H393-K396 WeakPolarHBondContact ND1-CD 3.22Å; H393-K396 WeakPolarHBondContact NE2-CD 3.46Å; H393-I412 WeakPolarHBondContact NE2-CG2 3.35Å; H393-K415 HydrophobicContact CB-CD 3.36Å; H393-K415 PolarHBondContact CE1-NZ 2.92Å; H393-K415 PolarHBondContact ND1-NZ 2.64Å; H393-C479 HydrophobicContact CB-CB 4.07Å; H393-C479 VanDerWaalsContact CB-SG 3.57Å; H393-C479 PolarHBondContact CD2-O 2.83Å; H393-C479 PolarHBondContact N-SG 2.99Å
394Y69.9Low76.6Confident52 Ų5236.1 Ų36.120%0.20418%0.182CC..G310 helixtrans-61-16.3153.6-67.7-64000111.6A391 E482 R486A391-Y394 HydrophobicContact CB-CD2 4Å; A391-Y394 HydrophobicContact CB-CE2 4.44Å; A391-Y394 WeakPolarHBondContact O-CB 3.37Å; A391-Y394 WeakPolarHBondContact O-CD2 3.2Å; A391-Y394 PolarHBondContact O-N 3.43Å; Y394-E482 HydrophobicContact CE1-CG 4.14Å; Y394-E482 WeakPolarHBondContact CE1-OE1 3.18Å; Y394-E482 VanDerWaalsContact CE1-OE2 3.28Å; Y394-E482 WeakPolarHBondContact CE1-OE2 3.33Å; Y394-E482 PolarHBondContact OH-OE1 2.87Å; Y394-E482 PolarHBondContact OH-OE2 2.86Å; Y394-R486 PolarHBondContact O-NH1 2.86Å; Y394-R486 PolarHBondContact O-NH2 2.78Å
395L74.3Confident76.5Confident5 Ų531 Ų313%0.02616%0.164CC..THydrogen-bonded Turntrans-113.7-23.2176-51.9-177.7000114.8C372 L375 I392 H393 E397 S398 L399C372-L395 WeakPolarHBondContact O-CD2 3.43Å; L375-L395 HydrophobicContact CB-CD1 3.89Å; L375-L395 HydrophobicContact CD2-CD1 3.78Å; I392-L395 HydrophobicContact CD1-CB 4.43Å; I392-L395 HydrophobicContact CD1-CD1 4.3Å; I392-L395 CarbonylContact O-C 3.34Å; I392-L395 WeakPolarHBondContact O-CA 3.41Å; I392-L395 WeakPolarHBondContact O-CB 3.35Å; I392-L395 PolarHBondContact O-N 2.64Å; H393-L395 PolarHBondContact O-N 3.07Å; L395-E397 PolarHBondContact O-N 2.84Å; L395-S398 PolarHBondContact O-N 3.15Å; L395-S398 PolarHBondContact O-OG 3.13Å; L395-L399 HydrophobicContact CB-CD1 4.11Å; L395-L399 HydrophobicContact CB-CG 4.4Å; L395-L399 WeakPolarHBondContact O-CB 3.09Å; L395-L399 WeakPolarHBondContact O-CD1 3.08Å; L395-L399 WeakPolarHBondContact O-CG 3.05Å; L395-L399 PolarHBondContact O-N 2.69Å
396K67.2Low76.3Confident50 Ų5034.6 Ų34.622%0.21718%0.184CC..SBendtrans-51.5-20-175.6-172.8178.9177.2-153.80114.2I392 H393 F402I392-K396 PolarHBondContact O-N 3.46Å; H393-K396 HydrophobicContact CB-CB 4.05Å; H393-K396 WeakPolarHBondContact CE1-CB 3.27Å; H393-K396 WeakPolarHBondContact CE1-CD 3.16Å; H393-K396 WeakPolarHBondContact CE1-CG 3.03Å; H393-K396 WeakPolarHBondContact ND1-CD 3.22Å; H393-K396 WeakPolarHBondContact NE2-CD 3.46Å; K396-F402 HydrophobicContact CD-CD1 4.42Å; K396-F402 HydrophobicContact CD-CE1 4.38Å; K396-F402 HydrophobicContact CG-CD1 4.21Å; K396-F402 HydrophobicContact CG-CE1 4.48Å
397E63.7Low76.5Confident14 Ų1430.9 Ų30.97%0.06516%0.164CC..SBendtrans-85.7-56.3-176.2-49.4-129.4-122.700112.7L395 L399 G483 M484 Q485 R486 I487L395-E397 PolarHBondContact O-N 2.84Å; E397-L399 PolarHBondContact O-N 3.09Å; E397-G483 VanDerWaalsContact OE1-C 3.31Å; E397-G483 WeakPolarHBondContact OE1-CA 3.4Å; E397-G483 PolarHBondContact OE1-N 3.44Å; E397-M484 PolarHBondContact OE1-N 2.99Å; E397-M484 WeakPolarHBondContact OE2-CA 2.88Å; E397-M484 PolarHBondContact OE2-N 3.23Å; E397-Q485 WeakPolarHBondContact OE1-CA 3.26Å; E397-Q485 PolarHBondContact OE1-N 2.89Å; E397-Q485 PolarHBondContact OE2-N 2.85Å; E397-R486 HydrophobicContact CB-CB 3.64Å; E397-R486 HydrophobicContact CB-CG 4.32Å; E397-R486 VanDerWaalsContact CD-CB 3.43Å; E397-R486 HydrophobicContact CG-CB 3.87Å; E397-R486 HydrophobicContact CG-CG 4.28Å; E397-R486 WeakPolarHBondContact OE1-CA 3.19Å; E397-R486 VanDerWaalsContact OE1-CB 3.27Å; E397-R486 WeakPolarHBondContact OE1-CB 3.22Å; E397-R486 PolarHBondContact OE1-N 3.09Å; E397-I487 HydrophobicContact CB-CD1 4.32Å; E397-I487 HydrophobicContact CB-CG1 3.86Å; E397-I487 HydrophobicContact CG-CD1 4.45Å; E397-I487 HydrophobicContact CG-CG1 4.32Å; E397-I487 WeakPolarHBondContact OE2-CA 2.9Å; E397-I487 WeakPolarHBondContact OE2-CB 3.19Å; E397-I487 WeakPolarHBondContact OE2-CD1 3.44Å; E397-I487 WeakPolarHBondContact OE2-CG1 3.35Å; E397-I487 PolarHBondContact OE2-N 3.46Å
398S71Confident76.5Confident25 Ų2531.2 Ų31.218%0.17517%0.167CC..SBendtrans-72.98.6178.657.70000112.5L375 K376 L395L375-S398 VanDerWaalsContact O-O 3.11Å; K376-S398 WeakPolarHBondContact CA-O 3.01Å; L395-S398 PolarHBondContact O-N 3.15Å; L395-S398 PolarHBondContact O-OG 3.13Å
399L79.5Confident75.8Confident13 Ų1337.3 Ų37.37%0.06820%0.196CC..  trans-95.383.7-179.4-90173.4000110L375 K376 L378 L395 E397 V401 F402L375-L399 HydrophobicContact CB-CD2 4.29Å; L375-L399 HydrophobicContact CD2-CD2 4.21Å; L375-L399 HydrophobicContact CG-CD2 3.89Å; L375-L399 WeakPolarHBondContact O-CD2 3.01Å; L375-L399 WeakPolarHBondContact O-CG 3Å; K376-L399 VanDerWaalsContact C-CD2 3.4Å; K376-L399 CarbonylContact O-C 3.57Å; K376-L399 VanDerWaalsContact O-CA 3.29Å; K376-L399 WeakPolarHBondContact O-CA 2.95Å; L378-L399 HydrophobicContact CB-CD1 4.07Å; L378-L399 HydrophobicContact CB-CD2 3.69Å; L378-L399 HydrophobicContact CD2-CD1 4.37Å; L395-L399 HydrophobicContact CB-CD1 4.11Å; L395-L399 HydrophobicContact CB-CG 4.4Å; L395-L399 WeakPolarHBondContact O-CB 3.09Å; L395-L399 WeakPolarHBondContact O-CD1 3.08Å; L395-L399 WeakPolarHBondContact O-CG 3.05Å; L395-L399 PolarHBondContact O-N 2.69Å; E397-L399 PolarHBondContact O-N 3.09Å; L399-V401 PolarHBondContact O-N 3.41Å; L399-F402 HydrophobicContact CB-CB 4.31Å; L399-F402 HydrophobicContact CD1-CB 4.27Å; L399-F402 HydrophobicContact CD1-CD2 4.19Å; L399-F402 HydrophobicContact CD1-CG 4.3Å
400D83.9Confident75.5Confident105 Ų10538 Ų3856%0.56120%0.198SC*.THydrogen-bonded Turntrans-34.5-43166-51-11.6000113.4K376K376-D400 HydrophobicContact CB-CB 4.46Å; K376-D400 WeakPolarHBondContact CD-OD2 3.4Å; K376-D400 VanDerWaalsContact NZ-CG 3.28Å; K376-D400 IonicContact NZ-OD1 2.67Å; K376-D400 PolarHBondContact NZ-OD1 2.97Å; K376-D400 IonicContact NZ-OD2 2.67Å; K376-D400 PolarHBondContact NZ-OD2 3.17Å; K376-D400 CarbonylContact O-C 3.52Å; K376-D400 WeakPolarHBondContact O-CA 3.13Å; K376-D400 WeakPolarHBondContact O-CB 3.46Å; K376-D400 PolarHBondContact O-N 3.4Å
401V81.7Confident75.4Confident44 Ų4441.9 Ų41.927%0.26721%0.212SC..EExtended strand (participates in β ladder)trans-142.592.3-178.2-170.40000112.6K376 R377 L378 L399 E403K376-V401 PolarHBondContact O-N 3.22Å; R377-V401 CarbonylContact C-O 3.5Å; R377-V401 WeakPolarHBondContact CA-O 3.26Å; R377-V401 HydrophobicContact CB-CB 4.09Å; R377-V401 HydrophobicContact CG-CB 3.76Å; R377-V401 HydrophobicContact CG-CG2 3.98Å; L378-V401 PolarHBondContact N-O 2.97Å; L399-V401 PolarHBondContact O-N 3.41Å; V401-E403 HydrophobicContact CG1-CG 3.94Å; V401-E403 WeakPolarHBondContact CG1-OE1 3.5Å
402F84Confident75.2Confident25 Ų2543.4 Ų43.411%0.1122%0.218CC..EExtended strand (participates in β ladder)trans-95.697.5170.7-177.9-136.4000110.5L378 L388 K396 L399 V404 K970L378-F402 HydrophobicContact CB-CD2 3.95Å; L378-F402 HydrophobicContact CD2-CD2 4.01Å; L378-F402 HydrophobicContact CD2-CE2 3.76Å; L378-F402 HydrophobicContact CG-CD2 4.01Å; L378-F402 HydrophobicContact CG-CE2 4.08Å; L378-F402 CarbonylContact O-C 3.59Å; L378-F402 WeakPolarHBondContact O-CA 3.44Å; L388-F402 HydrophobicContact CD1-CE2 4.09Å; L388-F402 HydrophobicContact CD1-CZ 3.64Å; K396-F402 HydrophobicContact CD-CD1 4.42Å; K396-F402 HydrophobicContact CD-CE1 4.38Å; K396-F402 HydrophobicContact CG-CD1 4.21Å; K396-F402 HydrophobicContact CG-CE1 4.48Å; L399-F402 HydrophobicContact CB-CB 4.31Å; L399-F402 HydrophobicContact CD1-CB 4.27Å; L399-F402 HydrophobicContact CD1-CD2 4.19Å; L399-F402 HydrophobicContact CD1-CG 4.3Å; F402-V404 HydrophobicContact CD2-CG1 3.95Å; F402-V404 HydrophobicContact CE1-CG1 4.18Å; F402-V404 HydrophobicContact CE2-CG1 3.33Å; F402-V404 HydrophobicContact CZ-CG1 3.47Å; F402-V404 VanDerWaalsContact CZ-CG1 3.47Å; F402-K970 VanDerWaalsContact O-CE 3.26Å; F402-K970 WeakPolarHBondContact O-CE 3.44Å; F402-K970 PolarHBondContact O-NZ 3.08Å
403E86.8Confident74.7Confident51 Ų5143.4 Ų43.424%0.23822%0.219CC..EExtended strand (participates in β ladder)trans-99.8128.5175-75167-124.200110R377 L378 I379 L380 V401R377-E403 IonicContact NH2-OE1 3.89Å; L378-E403 PolarHBondContact O-N 3.02Å; L378-E403 VanDerWaalsContact O-O 3.1Å; I379-E403 CarbonylContact C-O 3.53Å; I379-E403 WeakPolarHBondContact CA-O 3.38Å; I379-E403 HydrophobicContact CB-CB 4.3Å; I379-E403 HydrophobicContact CG1-CB 4.22Å; I379-E403 HydrophobicContact CG2-CB 4.04Å; L380-E403 PolarHBondContact N-O 3.27Å; V401-E403 HydrophobicContact CG1-CG 3.94Å; V401-E403 WeakPolarHBondContact CG1-OE1 3.5Å
404V80.6Confident74.3Confident13 Ų1343.3 Ų43.38%0.07922%0.218CC..  trans-139.211.9178.6-660000111.9L380 F402 N407 L410L380-V404 HydrophobicContact CB-CG1 4.4Å; F402-V404 HydrophobicContact CD2-CG1 3.95Å; F402-V404 HydrophobicContact CE1-CG1 4.18Å; F402-V404 HydrophobicContact CE2-CG1 3.33Å; F402-V404 HydrophobicContact CZ-CG1 3.47Å; F402-V404 VanDerWaalsContact CZ-CG1 3.47Å; V404-N407 WeakPolarHBondContact O-CB 3.24Å; V404-N407 PolarHBondContact O-ND2 2.95Å; V404-L410 HydrophobicContact CB-CD2 3.58Å; V404-L410 HydrophobicContact CG1-CD2 4.06Å; V404-L410 HydrophobicContact CG2-CD2 3.8Å
405D79.8Confident73.6Confident23 Ų2340.8 Ų40.812%0.12321%0.209CC..  trans-69.4151.1-161.5-37.415.6000111.2N381 S382 N407 E967 K970N381-D405 CarbonylContact C-O 3.41Å; N381-D405 VanDerWaalsContact C-O 3.26Å; N381-D405 WeakPolarHBondContact CA-O 3.39Å; N381-D405 HydrophobicContact CB-CB 4.11Å; N381-D405 WeakPolarHBondContact CB-O 3.37Å; S382-D405 PolarHBondContact N-O 2.87Å; D405-N407 VanDerWaalsContact C-N 3.34Å; D405-N407 PolarHBondContact O-N 3.35Å; D405-E967 HydrophobicContact CB-CB 4.09Å; D405-K970 WeakPolarHBondContact OD1-CE 3.39Å; D405-K970 IonicContact OD1-NZ 3.14Å; D405-K970 PolarHBondContact OD1-NZ 3.21Å; D405-K970 IonicContact OD2-NZ 3.49Å
406N80.9Confident72.9Confident76 Ų7640.6 Ų40.641%0.40621%0.208SC..SBendtrans6033.2-169.9-41-70.4000115.2S382 P408 E967S382-N406 WeakPolarHBondContact CA-O 3.4Å; S382-N406 PolarHBondContact OG-ND2 3.11Å; N406-P408 VanDerWaalsContact C-CD 3.43Å; N406-P408 VanDerWaalsContact O-CD 3.22Å; N406-P408 WeakPolarHBondContact O-CD 3.07Å; N406-E967 WeakPolarHBondContact CA-OE2 3.38Å; N406-E967 PolarHBondContact N-OE2 3.14Å
407N74Confident72.1Confident1 Ų138.4 Ų38.41%0.00520%0.199CC..  trans-106.575.9164.9-82-94.6000110.4L380 N383 L385 V404 D405 Q409 L410 E967L380-N407 PolarHBondContact O-ND2 3.29Å; N383-N407 WeakPolarHBondContact CA-OD1 2.99Å; N383-N407 WeakPolarHBondContact CB-OD1 3.12Å; N383-N407 PolarHBondContact N-ND2 3.12Å; N383-N407 PolarHBondContact N-OD1 3.01Å; N383-N407 PolarHBondContact O-OD1 3.07Å; L385-N407 HydrophobicContact CB-CB 4.35Å; L385-N407 WeakPolarHBondContact CB-OD1 3.45Å; L385-N407 WeakPolarHBondContact CD1-OD1 3.36Å; L385-N407 WeakPolarHBondContact CG-OD1 3.32Å; L385-N407 PolarHBondContact N-OD1 3.09Å; V404-N407 WeakPolarHBondContact O-CB 3.24Å; V404-N407 PolarHBondContact O-ND2 2.95Å; D405-N407 VanDerWaalsContact C-N 3.34Å; D405-N407 PolarHBondContact O-N 3.35Å; N407-Q409 PolarHBondContact O-N 3.45Å; N407-L410 HydrophobicContact CB-CB 3.68Å; N407-L410 HydrophobicContact CB-CD2 4.24Å; N407-L410 WeakPolarHBondContact O-CB 3.38Å; N407-L410 PolarHBondContact O-N 2.66Å; N407-E967 VanDerWaalsContact CA-OE1 3.24Å; N407-E967 WeakPolarHBondContact CA-OE1 3.19Å; N407-E967 PolarHBondContact N-OE1 2.93Å; N407-E967 PolarHBondContact N-OE2 2.89Å
408P72.8Confident71.4Confident64 Ų6440.5 Ų40.542%0.41621%0.208SC..THydrogen-bonded Turntrans-65.20.8-167.327.5-37.7000115.9N406 N963N406-P408 VanDerWaalsContact C-CD 3.43Å; N406-P408 VanDerWaalsContact O-CD 3.22Å; N406-P408 WeakPolarHBondContact O-CD 3.07Å; P408-N963 PolarHBondContact O-ND2 2.9Å
409Q69.7Low70.3Confident130 Ų13044.4 Ų44.461%0.60723%0.227SC*.THydrogen-bonded Turntrans-116.8-2174.7-57.1-168.227.300113.8L385 L386 N407 K411L385-Q409 CarbonylContact O-C 3.57Å; L386-Q409 HydrophobicContact CD2-CB 3.95Å; L386-Q409 VanDerWaalsContact CD2-OE1 3.24Å; N407-Q409 PolarHBondContact O-N 3.45Å; Q409-K411 PolarHBondContact O-N 2.99Å
410L76.5Confident68.8Low30 Ų3051.7 Ų51.716%0.15726%0.26CS..  trans-69.3122.4-171.8168.960.6000111.2L385 L388 V404 N407 I412L385-L410 HydrophobicContact CB-CB 4.1Å; L385-L410 HydrophobicContact CB-CD1 3.95Å; L385-L410 HydrophobicContact CB-CG 4.43Å; L385-L410 HydrophobicContact CD1-CD1 4.45Å; L385-L410 HydrophobicContact CD1-CD2 4.22Å; L385-L410 WeakPolarHBondContact O-CA 3.37Å; L385-L410 PolarHBondContact O-N 2.86Å; L388-L410 HydrophobicContact CD1-CD1 4.24Å; L388-L410 HydrophobicContact CG-CD1 3.9Å; V404-L410 HydrophobicContact CB-CD2 3.58Å; V404-L410 HydrophobicContact CG1-CD2 4.06Å; V404-L410 HydrophobicContact CG2-CD2 3.8Å; N407-L410 HydrophobicContact CB-CB 3.68Å; N407-L410 HydrophobicContact CB-CD2 4.24Å; N407-L410 WeakPolarHBondContact O-CB 3.38Å; N407-L410 PolarHBondContact O-N 2.66Å; L410-I412 HydrophobicContact CD2-CG1 4.48Å; L410-I412 HydrophobicContact CG-CG1 4.43Å
411K62.6Low66.4Low141 Ų14156.7 Ų56.761%0.61328%0.277SS*.BIsolated β-bridgetrans-104111163.6-62.3-173.1-178.5-178.40108.6L386 T387 Q409L386-K411 PolarHBondContact O-N 2.87Å; T387-K411 WeakPolarHBondContact CA-O 3.4Å; T387-K411 PolarHBondContact OG1-O 2.79Å; Q409-K411 PolarHBondContact O-N 2.99Å
412I74.6Confident64.6Low43 Ų4358.5 Ų58.522%0.22131%0.305CS..  trans-58.1133.4171.8-69.7-179.6000107.9H393 L410H393-I412 WeakPolarHBondContact NE2-CG2 3.35Å; L410-I412 HydrophobicContact CD2-CG1 4.48Å; L410-I412 HydrophobicContact CG-CG1 4.43Å
413P69.1Low62.8Low2 Ų259.8 Ų59.81%0.01332%0.32CS..  trans-57-178.2-176.312.4-26000115.6L388 P389 I392 C479 V480L388-P413 HydrophobicContact CB-CG 3.83Å; L388-P413 WeakPolarHBondContact O-CB 3.4Å; L388-P413 WeakPolarHBondContact O-CG 3.19Å; P389-P413 WeakPolarHBondContact O-CG 3.26Å; I392-P413 HydrophobicContact CG2-CB 4.49Å; I392-P413 HydrophobicContact CG2-CG 3.24Å; P413-C479 CarbonylContact C-O 3.58Å; P413-C479 HydrophobicContact CB-CB 4.05Å; P413-C479 HydrophobicContact CG-CB 4.41Å; P413-V480 WeakPolarHBondContact O-CG2 3.17Å
414P56.6Low60.4Low2 Ų261.1 Ų61.11%0.01335%0.347CS..  trans-108.40-161.441.6-34.9000113.4D390 K475 D476 S477 K478 C479 V480D390-P414 VanDerWaalsContact OD1-CD 3.31Å; D390-P414 WeakPolarHBondContact OD1-CD 3.5Å; D390-P414 WeakPolarHBondContact OD1-CG 3.04Å; P414-K475 VanDerWaalsContact CB-C 3.4Å; P414-K475 HydrophobicContact CB-CB 4.23Å; P414-K475 WeakPolarHBondContact CB-O 3.23Å; P414-K475 HydrophobicContact CG-CB 4.1Å; P414-K475 HydrophobicContact CG-CG 4.43Å; P414-D476 WeakPolarHBondContact CA-O 3.34Å; P414-S477 VanDerWaalsContact CA-CA 3.5Å; P414-S477 VanDerWaalsContact CB-C 3.46Å; P414-K478 CarbonylContact O-C 3.59Å; P414-K478 WeakPolarHBondContact O-CA 3.17Å; P414-K478 PolarHBondContact O-N 2.81Å; P414-C479 CarbonylContact C-O 3.58Å; P414-C479 VanDerWaalsContact C-O 3.3Å; P414-C479 VanDerWaalsContact N-O 3.08Å; P414-C479 CarbonylContact O-C 3.51Å; P414-C479 WeakPolarHBondContact O-CA 3.37Å; P414-C479 WeakPolarHBondContact O-CB 3.33Å; P414-C479 PolarHBondContact O-N 2.91Å; P414-V480 PolarHBondContact O-N 3.28Å
415K56.3Low58.5Low0 Ų068.1 Ų68.10%038%0.383CS..  0160.40-12199.385.1-120.90129.3H393 S477 K478 C479 V480 L481 E482 G483 L1342 S1345H393-K415 HydrophobicContact CB-CD 3.36Å; H393-K415 PolarHBondContact CE1-NZ 2.92Å; H393-K415 PolarHBondContact ND1-NZ 2.64Å; K415-S477 CarbonylContact O-C 3.55Å; K415-K478 VanDerWaalsContact CA-C 3.44Å; K415-C479 VanDerWaalsContact CA-CA 3.42Å; K415-C479 VanDerWaalsContact CA-N 3.35Å; K415-C479 VanDerWaalsContact CD-CA 3.47Å; K415-C479 HydrophobicContact CD-CB 4.49Å; K415-V480 HydrophobicContact CB-CB 3.99Å; K415-V480 VanDerWaalsContact CE-O 3.31Å; K415-V480 WeakPolarHBondContact CE-O 3.34Å; K415-V480 VanDerWaalsContact CG-C 3.43Å; K415-V480 PolarHBondContact NZ-O 3.04Å; K415-L481 HydrophobicContact CB-CB 4.4Å; K415-E482 HydrophobicContact CD-CB 4.21Å; K415-E482 WeakPolarHBondContact CD-O 3.17Å; K415-E482 WeakPolarHBondContact CE-O 3.4Å; K415-E482 HydrophobicContact CG-CB 3.89Å; K415-E482 VanDerWaalsContact CG-N 3.31Å; K415-G483 VanDerWaalsContact NZ-C 3.3Å; K415-G483 PolarHBondContact NZ-O 3.11Å; K415-L1342 HydrophobicContact CB-CD1 3.11Å; K415-L1342 HydrophobicContact CB-CG 4.48Å; K415-L1342 HydrophobicContact CG-CD1 4.47Å; K415-S1345 WeakPolarHBondContact O-CB 3.5Å; K415-S1345 PolarHBondContact O-OG 3.46Å
416P59.3Low56.7Low1 Ų170.5 Ų70.51%0.00641%0.406CS..  trans-86.5-175.3157.7-5.629.3000116.9K478 E482P416-K478 HydrophobicContact CB-CG 4.34Å; P416-K478 HydrophobicContact CG-CD 4.13Å; P416-K478 HydrophobicContact CG-CG 3.93Å; P416-K478 WeakPolarHBondContact CG-O 3.42Å; P416-E482 WeakPolarHBondContact CB-OE1 3.32Å; P416-E482 WeakPolarHBondContact CD-OE2 3.36Å; P416-E482 WeakPolarHBondContact CG-OE1 3.46Å; P416-E482 VanDerWaalsContact CG-OE2 3.29Å; P416-E482 WeakPolarHBondContact CG-OE2 3.08Å; P416-E482 VanDerWaalsContact O-CB 3.3Å; P416-E482 WeakPolarHBondContact O-CB 3.24Å; P416-E482 PolarHBondContact O-N 3.45Å
417P50.3Low54.9Low4 Ų473.8 Ų73.83%0.02642%0.417CS..  trans-102.4170.2-167.6-18.243.3000118.5S1345 H1346 Q1349P417-S1345 WeakPolarHBondContact CG-O 3.21Å; P417-H1346 HydrophobicContact CB-CB 4.1Å; P417-H1346 WeakPolarHBondContact CB-ND1 3.27Å; P417-H1346 HydrophobicContact CG-CB 4.48Å; P417-Q1349 HydrophobicContact CB-CB 4.19Å; P417-Q1349 HydrophobicContact CG-CB 3.75Å; P417-Q1349 HydrophobicContact CG-CG 3.69Å
418E49.7Very low53.3Low57 Ų5781.7 Ų81.727%0.26645%0.448SS..  trans-69.8159.9162.9-146.3148.6-80.400115.1Q485 L979 H1346E418-Q485 VanDerWaalsContact CA-NE2 3.26Å; E418-Q485 HydrophobicContact CG-CG 4.27Å; E418-Q485 VanDerWaalsContact CG-NE2 3.3Å; E418-Q485 VanDerWaalsContact OE1-CD 3.32Å; E418-Q485 VanDerWaalsContact OE1-CG 3.3Å; E418-Q485 WeakPolarHBondContact OE1-CG 3.39Å; E418-Q485 PolarHBondContact OE1-NE2 3.44Å; E418-L979 HydrophobicContact CB-CD2 4.35Å; E418-L979 WeakPolarHBondContact OE1-CB 3.32Å; E418-H1346 PolarHBondContact N-ND1 3.16Å
419L48.4Very low51.6Low108 Ų10885.5 Ų85.557%0.56547%0.465SS*.  trans-142.9151.9175.1-79165.8000110.8
420Q47.7Very low50.3Low165 Ų16584.1 Ų84.177%0.77146%0.46SS*.  trans-60.5150.7-171.4-68.2173.5-46.800115.3G422 A423Q420-G422 PolarHBondContact O-N 3.38Å; Q420-A423 PolarHBondContact O-N 2.95Å
421K34Very low48.4Very low210 Ų21087.2 Ų87.291%0.91348%0.477SS*.THydrogen-bonded Turntrans-51.2108.7170.1-84.8-173.8175179.80109.7
422G43.8Very low47.3Very low82 Ų8288.1 Ų88.185%0.84548%0.482SS*.THydrogen-bonded Turntrans136.4-24178.500000115.4Q420 G424Q420-G422 PolarHBondContact O-N 3.38Å; G422-G424 VanDerWaalsContact C-N 3.3Å; G422-G424 PolarHBondContact O-N 2.77Å
423A45Very low45.9Very low53 Ų5386.4 Ų86.444%0.43847%0.473SS..  trans-80.73.7-172.400000116.1Q420 L425 A426Q420-A423 PolarHBondContact O-N 2.95Å; A423-L425 VanDerWaalsContact C-N 3.27Å; A423-L425 PolarHBondContact O-N 2.82Å; A423-A426 PolarHBondContact O-N 3.34Å
424G36.4Very low44.8Very low78 Ų7891.8 Ų91.880%0.80450%0.501SS*.THydrogen-bonded Turntrans-63.1-5.9-152.200000119.8G422G422-G424 VanDerWaalsContact C-N 3.3Å; G422-G424 PolarHBondContact O-N 2.77Å
425L41.7Very low44.5Very low161 Ų16195 Ų9584%0.84352%0.519SS*.THydrogen-bonded Turntrans-129.6-6.3178.8-73.4169.4000114.3A423A423-L425 VanDerWaalsContact C-N 3.27Å; A423-L425 PolarHBondContact O-N 2.82Å
426A42Very low44.3Very low72 Ų7296 Ų9660%0.59553%0.526SS*.G310 helixtrans-77.5-29.7-164.400000114.8A423 Y428 N429A423-A426 PolarHBondContact O-N 3.34Å; A426-Y428 VanDerWaalsContact C-N 3.35Å; A426-Y428 PolarHBondContact O-N 3.48Å; A426-N429 PolarHBondContact O-N 2.71Å
427F41.9Very low44.2Very low145 Ų145100.9 Ų100.964%0.63655%0.549SS*.G310 helixtrans-75.4-16.8-163.6-150.7-92.6000115.4
428Y41.2Very low44.6Very low168 Ų168103.9 Ų103.966%0.65956%0.564SS**G310 helixtrans-101.5-7.4179.4-70.5-73.1000114.2A426 I430A426-Y428 VanDerWaalsContact C-N 3.35Å; A426-Y428 PolarHBondContact O-N 3.48Å; Y428-I430 PolarHBondContact O-N 3.5Å; Y428-I430 VanDerWaalsContact O-N 3.09Å
429N36Very low45Very low144 Ų144106.9 Ų106.977%0.7757%0.573SS**  trans-85.354.2171.4-78.8-10.1000111.4A426 D431A426-N429 PolarHBondContact O-N 2.71Å; N429-D431 PolarHBondContact O-N 3.17Å
430I42.9Very low45.3Very low100 Ų100110 Ų11051%0.51359%0.587SS.*  trans-77113172.3-60.7177.2000108.2Y428 F432Y428-I430 PolarHBondContact O-N 3.5Å; Y428-I430 VanDerWaalsContact O-N 3.09Å; I430-F432 HydrophobicContact CB-CE2 4.18Å; I430-F432 HydrophobicContact CB-CZ 4.37Å; I430-F432 HydrophobicContact CG2-CE1 4.39Å; I430-F432 HydrophobicContact CG2-CE2 4.22Å; I430-F432 HydrophobicContact CG2-CZ 4.12Å; I430-F432 WeakPolarHBondContact O-CD2 3.28Å; I430-F432 WeakPolarHBondContact O-CE2 3.26Å; I430-F432 PolarHBondContact O-N 2.88Å
431D37.7Very low45.6Very low96 Ų96109.9 Ų109.951%0.51359%0.588SS.*  trans-68.1119.9170.9-179.721.4000110.3N429 S433 A436N429-D431 PolarHBondContact O-N 3.17Å; D431-S433 VanDerWaalsContact CG-OG 3.27Å; D431-S433 WeakPolarHBondContact OD1-CB 3.43Å; D431-S433 PolarHBondContact OD1-N 2.75Å; D431-S433 PolarHBondContact OD1-OG 3.45Å; D431-S433 VanDerWaalsContact OD2-CB 3.31Å; D431-S433 WeakPolarHBondContact OD2-CB 3.26Å; D431-S433 PolarHBondContact OD2-OG 2.89Å; D431-A436 HydrophobicContact CB-CB 4.3Å; D431-A436 WeakPolarHBondContact O-CB 3.2Å
432F38.5Very low45.9Very low160 Ų160108.8 Ų108.870%0.70258%0.579SS**  trans-93.67.8176.8-71.3-81.9000113I430 Q437I430-F432 HydrophobicContact CB-CE2 4.18Å; I430-F432 HydrophobicContact CB-CZ 4.37Å; I430-F432 HydrophobicContact CG2-CE1 4.39Å; I430-F432 HydrophobicContact CG2-CE2 4.22Å; I430-F432 HydrophobicContact CG2-CZ 4.12Å; I430-F432 WeakPolarHBondContact O-CD2 3.28Å; I430-F432 WeakPolarHBondContact O-CE2 3.26Å; I430-F432 PolarHBondContact O-N 2.88Å; F432-Q437 PolarHBondContact O-NE2 2.7Å
433S45.7Very low45.4Very low6 Ų6108.5 Ų108.54%0.04258%0.576CS.*  trans-53.4153.1179.171.70000113D431 D435 A436 Q437D431-S433 VanDerWaalsContact CG-OG 3.27Å; D431-S433 WeakPolarHBondContact OD1-CB 3.43Å; D431-S433 PolarHBondContact OD1-N 2.75Å; D431-S433 PolarHBondContact OD1-OG 3.45Å; D431-S433 VanDerWaalsContact OD2-CB 3.31Å; D431-S433 WeakPolarHBondContact OD2-CB 3.26Å; D431-S433 PolarHBondContact OD2-OG 2.89Å; S433-D435 PolarHBondContact O-N 2.77Å; S433-A436 PolarHBondContact O-N 2.84Å; S433-A436 WeakPolarHBondContact OG-CB 3.34Å; S433-A436 PolarHBondContact OG-N 2.89Å; S433-Q437 WeakPolarHBondContact O-CG 3.43Å; S433-Q437 PolarHBondContact O-N 3.48Å; S433-Q437 VanDerWaalsContact O-N 3.13Å
434L46.1Very low44.8Very low115 Ų115115.5 Ų115.560%0.60260%0.596SS**Hα-helixtrans-61.4-32.1174.8-172.461.6000111.1Q437 L438L434-Q437 PolarHBondContact O-N 3.4Å; L434-L438 HydrophobicContact CG-CD1 4.01Å; L434-L438 HydrophobicContact CG-CG 4.39Å; L434-L438 WeakPolarHBondContact O-CB 3.36Å; L434-L438 VanDerWaalsContact O-CG 3.22Å; L434-L438 WeakPolarHBondContact O-CG 3.47Å; L434-L438 PolarHBondContact O-N 2.84Å
435D50.9Low44.8Very low71 Ų71117.4 Ų117.438%0.3860%0.595SS.*Hα-helixtrans-71-34.9175.2-77.3-57.2000113.9S433 Q437 L438 R439S433-D435 PolarHBondContact O-N 2.77Å; D435-Q437 VanDerWaalsContact C-N 3.33Å; D435-L438 PolarHBondContact O-N 2.71Å; D435-R439 VanDerWaalsContact O-CB 3.28Å; D435-R439 WeakPolarHBondContact O-CB 3.41Å; D435-R439 VanDerWaalsContact O-CG 3.29Å; D435-R439 WeakPolarHBondContact O-CG 3.46Å; D435-R439 PolarHBondContact O-N 2.96Å
436A52Low44Very low19 Ų19113.8 Ų113.816%0.15759%0.588CS.*Hα-helixtrans-62.7-42.9170.200000110.9D431 S433 R439 M440D431-A436 HydrophobicContact CB-CB 4.3Å; D431-A436 WeakPolarHBondContact O-CB 3.2Å; S433-A436 PolarHBondContact O-N 2.84Å; S433-A436 WeakPolarHBondContact OG-CB 3.34Å; S433-A436 PolarHBondContact OG-N 2.89Å; A436-R439 PolarHBondContact O-N 2.81Å; A436-M440 WeakPolarHBondContact O-CG 3.46Å; A436-M440 PolarHBondContact O-N 3.32Å
437Q56.7Low43.4Very low105 Ų105116.9 Ų116.949%0.49159%0.594SS.*Hα-helixtrans-67.4-39.3176.6-63.3178.244.700112.1F432 S433 L434 D435 M440 M441F432-Q437 PolarHBondContact O-NE2 2.7Å; S433-Q437 WeakPolarHBondContact O-CG 3.43Å; S433-Q437 PolarHBondContact O-N 3.48Å; S433-Q437 VanDerWaalsContact O-N 3.13Å; L434-Q437 PolarHBondContact O-N 3.4Å; D435-Q437 VanDerWaalsContact C-N 3.33Å; Q437-M440 PolarHBondContact O-N 2.81Å; Q437-M441 VanDerWaalsContact O-CG 3.29Å; Q437-M441 WeakPolarHBondContact O-CG 3.29Å; Q437-M441 PolarHBondContact O-N 3.15Å
438L58.9Low42.8Very low66 Ų66115.6 Ų115.635%0.34659%0.593SS.*Hα-helixtrans-69.5-34.8175.1-74168.9000112.6L434 D435 M440 M441 R442L434-L438 HydrophobicContact CG-CD1 4.01Å; L434-L438 HydrophobicContact CG-CG 4.39Å; L434-L438 WeakPolarHBondContact O-CB 3.36Å; L434-L438 VanDerWaalsContact O-CG 3.22Å; L434-L438 WeakPolarHBondContact O-CG 3.47Å; L434-L438 PolarHBondContact O-N 2.84Å; D435-L438 PolarHBondContact O-N 2.71Å; L438-M440 VanDerWaalsContact C-N 3.34Å; L438-M441 PolarHBondContact O-N 2.92Å; L438-R442 WeakPolarHBondContact O-CB 3.29Å; L438-R442 WeakPolarHBondContact O-CG 3.36Å; L438-R442 PolarHBondContact O-N 2.88Å
439R57.4Low42.3Very low120 Ų120112.7 Ų112.745%0.45359%0.593SS.*Hα-helixtrans-65.1-34.4170.8-81.4177.7165.2107.92112.5D435 A436 L447 N448D435-R439 VanDerWaalsContact O-CB 3.28Å; D435-R439 WeakPolarHBondContact O-CB 3.41Å; D435-R439 VanDerWaalsContact O-CG 3.29Å; D435-R439 WeakPolarHBondContact O-CG 3.46Å; D435-R439 PolarHBondContact O-N 2.96Å; A436-R439 PolarHBondContact O-N 2.81Å; R439-L447 PolarHBondContact NH2-O 3.21Å; R439-N448 VanDerWaalsContact NH2-C 3.33Å; R439-N448 PolarHBondContact NH2-O 2.92Å
440M54.6Low41.9Very low173 Ų173113 Ų11385%0.85259%0.59SS**Hα-helixtrans-75.1-26.6172.8-70-172.9178.800113A436 Q437 L438A436-M440 WeakPolarHBondContact O-CG 3.46Å; A436-M440 PolarHBondContact O-N 3.32Å; Q437-M440 PolarHBondContact O-N 2.81Å; L438-M440 VanDerWaalsContact C-N 3.34Å
441M53.2Low41.3Very low163 Ų163112.6 Ų112.680%0.80359%0.593SS**Hα-helixtrans-86.4-17.4177.2-71.4-76.3-75.700114.3Q437 L438Q437-M441 VanDerWaalsContact O-CG 3.29Å; Q437-M441 WeakPolarHBondContact O-CG 3.29Å; Q437-M441 PolarHBondContact O-N 3.15Å; L438-M441 PolarHBondContact O-N 2.92Å
442R41Very low41Very low187 Ų187113.7 Ų113.771%0.70660%0.603SS**SBendtrans-109.6101.9176.1-66.9-178.7-179.9-175.92.3110.1L438 K444L438-R442 WeakPolarHBondContact O-CB 3.29Å; L438-R442 WeakPolarHBondContact O-CG 3.36Å; L438-R442 PolarHBondContact O-N 2.88Å; R442-K444 PolarHBondContact O-N 2.95Å
443G33.2Very low40.7Very low76 Ų76114.2 Ų114.278%0.78461%0.607SS**  trans-65.899-170.600000115.5
444K33.2Very low40.3Very low200 Ų200122.3 Ų122.387%0.8764%0.644SS**  trans67.7160.9176-59.5-177.7175.7-1780114.9R442R442-K444 PolarHBondContact O-N 2.95Å
445P35.3Very low40Very low119 Ų119121.7 Ų121.777%0.77365%0.647SS**  cis-122.7169.3-1434.6-17.8000114.7
446A25.5Very low39.4Very low85 Ų85128 Ų12870%0.70267%0.671SS**  trans49.4129.1152.600000123.3
447L28.6Very low38.9Very low136 Ų136134.5 Ų134.571%0.71270%0.703SS**  trans81.2130.6150.5-63.7155.1000121.9R439R439-L447 PolarHBondContact NH2-O 3.21Å
448N30.7Very low38.3Very low118 Ų118134.4 Ų134.463%0.63171%0.712SS**  trans63.5126.9145.4-59.16000126.9R439R439-N448 VanDerWaalsContact NH2-C 3.33Å; R439-N448 PolarHBondContact NH2-O 2.92Å
449T29.3Very low37Very low107 Ų107136.2 Ų136.266%0.65674%0.736SS**  trans71.9112.8145.2520000125.5
450E29.7Very low36.2Very low151 Ų151134.5 Ų134.571%0.70675%0.748SS**  79.8103.4121.6-67-175.7-171.900129.2
451T30.2Very low35.6Very low92 Ų92135.8 Ų135.856%0.56474%0.743SS**  99.1137.8124.8670000128.1
452T30.6Very low35.3Very low119 Ų119133 Ų13373%0.7373%0.731SS**  trans100.3174.9153.367.40000124.3
453H32.9Very low35.3Very low170 Ų170134.3 Ų134.379%0.78774%0.736SS**  trans-131.4159.3-142-85.1-65.7000119.4
454H36.3Very low35.5Very low176 Ų176139.2 Ų139.282%0.81573%0.73SS**  154.7161.8124.8-85.2-73.9000116.6
455P40.2Very low35.8Very low103 Ų103135.3 Ų135.367%0.66972%0.718SS**  trans-141.4166.5-150.244.7-27.3000122.6
456K38.8Very low35.5Very low204 Ų204138.9 Ų138.989%0.88772%0.716SS**  trans68.6135.7144.8-81.3179.5178.9-178.40124.9
457D41.5Very low35.7Very low155 Ų155144 Ų14483%0.82972%0.717SS**  -161.9156.7121.5-158.744.2000112.1
458P42.6Very low35.8Very low103 Ų103148.2 Ų148.267%0.66972%0.724SS**  trans-127.2-157-174.944.3-29.9000115.9
459A32.6Very low35.6Very low104 Ų104154.8 Ų154.886%0.8674%0.74SS**  trans70.954.7156.800000119.8
460A40.7Very low35.5Very low84 Ų84152.8 Ų152.869%0.69474%0.741SS**  trans-132.7129.5165.100000115
461R41.8Very low35.5Very low200 Ų200154.8 Ų154.876%0.75575%0.75SS**  trans36.298.1130.6-60.5162.475.6164.83.2115
462L46.2Very low35.4Very low104 Ų104153.4 Ų153.455%0.54575%0.754SS.*  -155.5105.154.7-121.858.4000110.7R464L462-R464 HydrophobicContact CD2-CG 4.37Å; L462-R464 HydrophobicContact CG-CB 4.41Å; L462-R464 HydrophobicContact CG-CG 4.08Å; L462-R464 PolarHBondContact O-N 2.86Å
463R42.1Very low35.4Very low215 Ų215153.8 Ų153.881%0.81176%0.756SS**  62.5-4.568.3-160.3-179.9-82.2178.4-8.5114.6
464R36.8Very low35.4Very low179 Ų179148.2 Ų148.268%0.67575%0.745SS**  trans-153.5137.3-167-69-173.7-175.9164.8-1.7111.4L462L462-R464 HydrophobicContact CD2-CG 4.37Å; L462-R464 HydrophobicContact CG-CB 4.41Å; L462-R464 HydrophobicContact CG-CG 4.08Å; L462-R464 PolarHBondContact O-N 2.86Å
465L38.6Very low35.5Very low117 Ų117146.9 Ų146.961%0.61374%0.736SS**  cis-162.8122.5-2.3-94.6155.7000110.5
466R29.3Very low35.5Very low194 Ų194143.4 Ų143.473%0.73271%0.712SS**  trans66154.2144.8-58.4173.5-178.6161.82.1118.6
467R30.9Very low35.4Very low192 Ų192134.5 Ų134.573%0.72568%0.676SS**  cis-168.3139.5-13.3-108.5170.1-178.7177.7-2.6111.6
468R29.9Very low35.5Very low226 Ų226131.4 Ų131.485%0.85366%0.655SS**  trans70.5136.3145.1-71.4-178167-175.4-5.6122.9
469R27.2Very low35.4Very low255 Ų255126.5 Ų126.596%0.96262%0.623SS**  trans77.7138.4155.8-74.6-176.5171.4-178.6-3.8118.8
470G27Very low35.7Very low66 Ų66121.9 Ų121.968%0.6858%0.584SS**  trans122.7136.3170.100000113.6
471E29.1Very low35.7Very low193 Ų193117.9 Ų117.990%0.90255%0.551SS**  trans3.3158.9160.6-66.1107-126.700122.4
472G28.6Very low35.8Very low62 Ų62109.4 Ų109.464%0.63952%0.52SS*.  cis119.7121.52.400000113.5
473V29.7Very low35.8Very low127 Ų127104.5 Ų104.577%0.7750%0.495SS*.  trans61116.4169.6-167.20000116.5
474G33.5Very low35.8Very low54 Ų5494.7 Ų94.756%0.55746%0.458SS*.  trans171.9-45.1168.400000113.6D476G474-D476 VanDerWaalsContact C-N 3.26Å; G474-D476 PolarHBondContact O-N 3.06Å; G474-D476 VanDerWaalsContact O-N 3.12Å
475K38.3Very low36.2Very low147 Ų14787.8 Ų87.864%0.63943%0.434SS*.THydrogen-bonded Turntrans-87.866.8169.4-78.5-162.7176.6-168.30111.5D390 P414D390-K475 IonicContact OD1-NZ 2.91Å; D390-K475 IonicContact OD2-NZ 2.6Å; D390-K475 PolarHBondContact OD2-NZ 3.49Å; P414-K475 VanDerWaalsContact CB-C 3.4Å; P414-K475 HydrophobicContact CB-CB 4.23Å; P414-K475 WeakPolarHBondContact CB-O 3.23Å; P414-K475 HydrophobicContact CG-CB 4.1Å; P414-K475 HydrophobicContact CG-CG 4.43Å
476D40.5Very low36.8Very low30 Ų3087.1 Ų87.116%0.1642%0.423CS..THydrogen-bonded Turntrans-119.221142.6-37.9-84.6000110.3P414 G474 Q1338 K1341P414-D476 WeakPolarHBondContact CA-O 3.34Å; G474-D476 VanDerWaalsContact C-N 3.26Å; G474-D476 PolarHBondContact O-N 3.06Å; G474-D476 VanDerWaalsContact O-N 3.12Å; D476-Q1338 HydrophobicContact CB-CG 4.38Å; D476-K1341 HydrophobicContact CB-CD 4.04Å; D476-K1341 IonicContact OD2-NZ 3.72Å; D476-K1341 PolarHBondContact OD2-NZ 3.45Å
477S36.6Very low37.7Very low17 Ų1781 Ų8112%0.11940%0.404CS..SBendtrans-13681.1151.8-68.10000126.2P414 K415 K1341 L1342P414-S477 VanDerWaalsContact CA-CA 3.5Å; P414-S477 VanDerWaalsContact CB-C 3.46Å; K415-S477 CarbonylContact O-C 3.55Å; S477-K1341 WeakPolarHBondContact CB-O 3.49Å; S477-K1341 WeakPolarHBondContact OG-CB 3.46Å; S477-K1341 PolarHBondContact OG-O 2.95Å; S477-L1342 WeakPolarHBondContact OG-CA 3.28Å; S477-L1342 VanDerWaalsContact OG-CB 3.29Å; S477-L1342 WeakPolarHBondContact OG-CB 3.34Å; S477-L1342 PolarHBondContact OG-N 2.73Å; S477-L1342 VanDerWaalsContact OG-N 3.11Å
478K42.4Very low38.5Very low90 Ų9073 Ų7339%0.39138%0.379SS..SBendtrans-154.60138.4-114.8-138.3156.2-167.80130.4P414 K415 P416P414-K478 CarbonylContact O-C 3.59Å; P414-K478 WeakPolarHBondContact O-CA 3.17Å; P414-K478 PolarHBondContact O-N 2.81Å; K415-K478 VanDerWaalsContact CA-C 3.44Å; P416-K478 HydrophobicContact CB-CG 4.34Å; P416-K478 HydrophobicContact CG-CD 4.13Å; P416-K478 HydrophobicContact CG-CG 3.93Å; P416-K478 WeakPolarHBondContact CG-O 3.42Å
479C41.1Very low39.5Very low0 Ų067.2 Ų67.20%036%0.36CS..SBend074.80-84.70000140.3D390 A391 I392 H393 P413 P414 K415D390-C479 VanDerWaalsContact O-CB 3.31Å; D390-C479 WeakPolarHBondContact O-CB 3.43Å; D390-C479 PolarHBondContact O-N 3.07Å; D390-C479 PolarHBondContact O-SG 3.34Å; A391-C479 WeakPolarHBondContact CA-SG 3.37Å; I392-C479 PolarHBondContact N-SG 3.14Å; I392-C479 VanDerWaalsContact N-SG 3.39Å; H393-C479 HydrophobicContact CB-CB 4.07Å; H393-C479 VanDerWaalsContact CB-SG 3.57Å; H393-C479 PolarHBondContact CD2-O 2.83Å; H393-C479 PolarHBondContact N-SG 2.99Å; P413-C479 CarbonylContact C-O 3.58Å; P413-C479 HydrophobicContact CB-CB 4.05Å; P413-C479 HydrophobicContact CG-CB 4.41Å; P414-C479 CarbonylContact C-O 3.58Å; P414-C479 VanDerWaalsContact C-O 3.3Å; P414-C479 VanDerWaalsContact N-O 3.08Å; P414-C479 CarbonylContact O-C 3.51Å; P414-C479 WeakPolarHBondContact O-CA 3.37Å; P414-C479 WeakPolarHBondContact O-CB 3.33Å; P414-C479 PolarHBondContact O-N 2.91Å; K415-C479 VanDerWaalsContact CA-CA 3.42Å; K415-C479 VanDerWaalsContact CA-N 3.35Å; K415-C479 VanDerWaalsContact CD-CA 3.47Å; K415-C479 HydrophobicContact CD-CB 4.49Å
480V40.3Very low40.7Very low8 Ų858.5 Ų58.55%0.04833%0.33CS..SBendtrans-139.8-30.1153.7-167.10000125.6P413 P414 K415 M484 Q1338 L1342P413-V480 WeakPolarHBondContact O-CG2 3.17Å; P414-V480 PolarHBondContact O-N 3.28Å; K415-V480 HydrophobicContact CB-CB 3.99Å; K415-V480 VanDerWaalsContact CE-O 3.31Å; K415-V480 WeakPolarHBondContact CE-O 3.34Å; K415-V480 VanDerWaalsContact CG-C 3.43Å; K415-V480 PolarHBondContact NZ-O 3.04Å; V480-M484 VanDerWaalsContact O-SD 3.4Å; V480-Q1338 HydrophobicContact CG1-CB 4.31Å; V480-L1342 HydrophobicContact CB-CD1 4.18Å; V480-L1342 HydrophobicContact CB-CD2 3.53Å; V480-L1342 HydrophobicContact CB-CG 4.42Å; V480-L1342 HydrophobicContact CG1-CD2 3.38Å
481L40.5Very low42.1Very low0 Ų061.1 Ų61.10%032%0.323CS..SBendtrans-106.2-46.1174-97.8177.3000118.8K415 G483 M484 L975 L978 L979 L1342K415-L481 HydrophobicContact CB-CB 4.4Å; L481-G483 CarbonylContact O-C 3.51Å; L481-G483 PolarHBondContact O-N 3.24Å; L481-M484 HydrophobicContact CD2-CB 4.43Å; L481-M484 HydrophobicContact CD2-SD 3.85Å; L481-M484 PolarHBondContact O-N 2.85Å; L481-L975 HydrophobicContact CD2-CB 3.43Å; L481-L975 VanDerWaalsContact CD2-CB 3.43Å; L481-L975 HydrophobicContact CD2-CD1 4.14Å; L481-L975 HydrophobicContact CD2-CG 4.42Å; L481-L978 HydrophobicContact CD1-CB 4.01Å; L481-L978 HydrophobicContact CD2-CB 4.38Å; L481-L979 HydrophobicContact CB-CD1 4.23Å; L481-L979 HydrophobicContact CB-CD2 4.1Å; L481-L979 HydrophobicContact CB-CG 4.33Å; L481-L979 HydrophobicContact CD1-CD2 3.76Å; L481-L979 HydrophobicContact CD1-CG 3.91Å; L481-L979 HydrophobicContact CD2-CD1 3.75Å; L481-L979 HydrophobicContact CD2-CD2 4.41Å; L481-L979 HydrophobicContact CD2-CG 3.79Å; L481-L979 HydrophobicContact CG-CD1 4.4Å; L481-L979 HydrophobicContact CG-CD2 4.3Å; L481-L979 HydrophobicContact CG-CG 4.22Å; L481-L1342 HydrophobicContact CB-CD1 3.56Å; L481-L1342 HydrophobicContact CB-CD2 3.9Å; L481-L1342 HydrophobicContact CB-CG 3.79Å; L481-L1342 HydrophobicContact CD1-CD1 4.14Å; L481-L1342 HydrophobicContact CD1-CD2 4.13Å; L481-L1342 HydrophobicContact CD1-CG 3.65Å; L481-L1342 HydrophobicContact CG-CD1 3.89Å; L481-L1342 HydrophobicContact CG-CD2 3.48Å; L481-L1342 VanDerWaalsContact CG-CD2 3.48Å; L481-L1342 HydrophobicContact CG-CG 3.5Å; L481-L1342 VanDerWaalsContact CG-CG 3.5Å
482E44.2Very low43.4Very low22 Ų2257 Ų5710%0.10330%0.304CS..THydrogen-bonded Turntrans-5955.4162.9165.5-130.7-119.900111.7Y394 K415 P416 Q485Y394-E482 HydrophobicContact CE1-CG 4.14Å; Y394-E482 WeakPolarHBondContact CE1-OE1 3.18Å; Y394-E482 VanDerWaalsContact CE1-OE2 3.28Å; Y394-E482 WeakPolarHBondContact CE1-OE2 3.33Å; Y394-E482 PolarHBondContact OH-OE1 2.87Å; Y394-E482 PolarHBondContact OH-OE2 2.86Å; K415-E482 HydrophobicContact CD-CB 4.21Å; K415-E482 WeakPolarHBondContact CD-O 3.17Å; K415-E482 WeakPolarHBondContact CE-O 3.4Å; K415-E482 HydrophobicContact CG-CB 3.89Å; K415-E482 VanDerWaalsContact CG-N 3.31Å; P416-E482 WeakPolarHBondContact CB-OE1 3.32Å; P416-E482 WeakPolarHBondContact CD-OE2 3.36Å; P416-E482 WeakPolarHBondContact CG-OE1 3.46Å; P416-E482 VanDerWaalsContact CG-OE2 3.29Å; P416-E482 WeakPolarHBondContact CG-OE2 3.08Å; P416-E482 VanDerWaalsContact O-CB 3.3Å; P416-E482 WeakPolarHBondContact O-CB 3.24Å; P416-E482 PolarHBondContact O-N 3.45Å; E482-Q485 VanDerWaalsContact CA-OE1 3.32Å
483G45Very low45Very low1 Ų158.1 Ų58.11%0.0129%0.292CS..THydrogen-bonded Turntrans160.927.8-156.800000112.5E397 K415 L481E397-G483 VanDerWaalsContact OE1-C 3.31Å; E397-G483 WeakPolarHBondContact OE1-CA 3.4Å; E397-G483 PolarHBondContact OE1-N 3.44Å; K415-G483 VanDerWaalsContact NZ-C 3.3Å; K415-G483 PolarHBondContact NZ-O 3.11Å; L481-G483 CarbonylContact O-C 3.51Å; L481-G483 PolarHBondContact O-N 3.24Å
484M42.1Very low46.3Very low8 Ų856.9 Ų56.94%0.03928%0.281CS..SBendtrans-14719.7161-77.6138.8156.300108.2E397 V480 L481 T973 L975 R976E397-M484 PolarHBondContact OE1-N 2.99Å; E397-M484 WeakPolarHBondContact OE2-CA 2.88Å; E397-M484 PolarHBondContact OE2-N 3.23Å; V480-M484 VanDerWaalsContact O-SD 3.4Å; L481-M484 HydrophobicContact CD2-CB 4.43Å; L481-M484 HydrophobicContact CD2-SD 3.85Å; L481-M484 PolarHBondContact O-N 2.85Å; M484-T973 HydrophobicContact CE-CG2 4.33Å; M484-T973 WeakPolarHBondContact CE-OG1 3.3Å; M484-L975 HydrophobicContact CE-CB 4.11Å; M484-L975 HydrophobicContact CE-CD1 3.51Å; M484-L975 HydrophobicContact CE-CG 3.5Å; M484-L975 HydrophobicContact SD-CB 3.74Å; M484-L975 HydrophobicContact SD-CD1 3.68Å; M484-L975 HydrophobicContact SD-CG 3.77Å; M484-R976 VanDerWaalsContact O-CG 3.27Å; M484-R976 WeakPolarHBondContact O-CG 3.32Å
485Q46Very low47.2Very low35 Ų3558.4 Ų58.416%0.16428%0.276CS..SBendtrans-127.1-47.9-154.4-179167.685.100110.6E397 E418 E482 A488 K489 L979E397-Q485 WeakPolarHBondContact OE1-CA 3.26Å; E397-Q485 PolarHBondContact OE1-N 2.89Å; E397-Q485 PolarHBondContact OE2-N 2.85Å; E418-Q485 VanDerWaalsContact CA-NE2 3.26Å; E418-Q485 HydrophobicContact CG-CG 4.27Å; E418-Q485 VanDerWaalsContact CG-NE2 3.3Å; E418-Q485 VanDerWaalsContact OE1-CD 3.32Å; E418-Q485 VanDerWaalsContact OE1-CG 3.3Å; E418-Q485 WeakPolarHBondContact OE1-CG 3.39Å; E418-Q485 PolarHBondContact OE1-NE2 3.44Å; E482-Q485 VanDerWaalsContact CA-OE1 3.32Å; Q485-A488 VanDerWaalsContact O-CB 3.27Å; Q485-A488 WeakPolarHBondContact O-CB 3.46Å; Q485-A488 PolarHBondContact O-N 2.8Å; Q485-K489 PolarHBondContact O-N 2.79Å; Q485-K489 VanDerWaalsContact O-N 3.16Å; Q485-L979 HydrophobicContact CB-CD1 3.9Å; Q485-L979 HydrophobicContact CG-CD1 4.16Å; Q485-L979 VanDerWaalsContact NE2-CD1 3.25Å
486R51.5Low48.4Very low102 Ų10257.2 Ų57.239%0.38527%0.273SS..Hα-helixtrans-62.9-32.9152.6-54.4164.3144.193.4-13.3112.2Y394 E397 A488 K489 E490Y394-R486 PolarHBondContact O-NH1 2.86Å; Y394-R486 PolarHBondContact O-NH2 2.78Å; E397-R486 HydrophobicContact CB-CB 3.64Å; E397-R486 HydrophobicContact CB-CG 4.32Å; E397-R486 VanDerWaalsContact CD-CB 3.43Å; E397-R486 HydrophobicContact CG-CB 3.87Å; E397-R486 HydrophobicContact CG-CG 4.28Å; E397-R486 WeakPolarHBondContact OE1-CA 3.19Å; E397-R486 VanDerWaalsContact OE1-CB 3.27Å; E397-R486 WeakPolarHBondContact OE1-CB 3.22Å; E397-R486 PolarHBondContact OE1-N 3.09Å; R486-A488 PolarHBondContact O-N 3.5Å; R486-K489 CarbonylContact O-C 3.58Å; R486-K489 PolarHBondContact O-N 2.9Å; R486-E490 HydrophobicContact CB-CG 4.49Å; R486-E490 VanDerWaalsContact O-CB 3.26Å; R486-E490 WeakPolarHBondContact O-CB 3.44Å; R486-E490 WeakPolarHBondContact O-CG 3.38Å; R486-E490 PolarHBondContact O-N 3.45Å
487I48.4Very low49.2Very low66 Ų6661.4 Ų61.434%0.33829%0.291SS..Hα-helixtrans-63-35.2173.8-79.1161.1000109.6E397 K491E397-I487 HydrophobicContact CB-CD1 4.32Å; E397-I487 HydrophobicContact CB-CG1 3.86Å; E397-I487 HydrophobicContact CG-CD1 4.45Å; E397-I487 HydrophobicContact CG-CG1 4.32Å; E397-I487 WeakPolarHBondContact OE2-CA 2.9Å; E397-I487 WeakPolarHBondContact OE2-CB 3.19Å; E397-I487 WeakPolarHBondContact OE2-CD1 3.44Å; E397-I487 WeakPolarHBondContact OE2-CG1 3.35Å; E397-I487 PolarHBondContact OE2-N 3.46Å; I487-K491 WeakPolarHBondContact O-CB 3.19Å; I487-K491 PolarHBondContact O-N 2.93Å
488A46.1Very low50.3Low25 Ų2567 Ų6721%0.20731%0.313CS..Hα-helixtrans-59.6-55.4168.400000109.7Q485 R486 K491 E492 R976Q485-A488 VanDerWaalsContact O-CB 3.27Å; Q485-A488 WeakPolarHBondContact O-CB 3.46Å; Q485-A488 PolarHBondContact O-N 2.8Å; R486-A488 PolarHBondContact O-N 3.5Å; A488-K491 PolarHBondContact O-N 2.83Å; A488-E492 VanDerWaalsContact O-CB 3.31Å; A488-E492 WeakPolarHBondContact O-CB 3.26Å; A488-E492 PolarHBondContact O-N 2.86Å; A488-R976 HydrophobicContact CB-CG 3.86Å
489K52.4Low51.1Low104 Ų10468.7 Ų68.745%0.45232%0.323SS..Hα-helixtrans-71.6-40-169.4-149.9171.8179.2-74.30115.3Q485 R486 K491 E492 E493Q485-K489 PolarHBondContact O-N 2.79Å; Q485-K489 VanDerWaalsContact O-N 3.16Å; R486-K489 CarbonylContact O-C 3.58Å; R486-K489 PolarHBondContact O-N 2.9Å; K489-K491 VanDerWaalsContact C-N 3.32Å; K489-E492 PolarHBondContact O-N 3.12Å; K489-E493 IonicContact NZ-OE1 2.79Å; K489-E493 PolarHBondContact NZ-OE1 2.97Å; K489-E493 WeakPolarHBondContact O-CB 3.42Å; K489-E493 VanDerWaalsContact O-CG 3.25Å; K489-E493 WeakPolarHBondContact O-CG 3.28Å; K489-E493 PolarHBondContact O-N 3.14Å
490E52.4Low52.3Low71 Ų7175.1 Ų75.133%0.33235%0.353SS..Hα-helixtrans-68.8-32.5174.2-69.6172.1176.700110.5R486 L494R486-E490 HydrophobicContact CB-CG 4.49Å; R486-E490 VanDerWaalsContact O-CB 3.26Å; R486-E490 WeakPolarHBondContact O-CB 3.44Å; R486-E490 WeakPolarHBondContact O-CG 3.38Å; R486-E490 PolarHBondContact O-N 3.45Å; E490-L494 WeakPolarHBondContact O-CB 3.45Å; E490-L494 WeakPolarHBondContact O-CD1 3.34Å; E490-L494 WeakPolarHBondContact O-CG 3.35Å; E490-L494 PolarHBondContact O-N 3.42Å
491K55.2Low53Low121 Ų12181 Ų8153%0.52638%0.38SS..Hα-helixtrans-75.2-33.9172.4-173.4176.2177.1-178.80112.4I487 A488 K489 L495I487-K491 WeakPolarHBondContact O-CB 3.19Å; I487-K491 PolarHBondContact O-N 2.93Å; A488-K491 PolarHBondContact O-N 2.83Å; K489-K491 VanDerWaalsContact C-N 3.32Å; K491-L495 HydrophobicContact CG-CD1 4.31Å; K491-L495 WeakPolarHBondContact O-CB 3.46Å; K491-L495 WeakPolarHBondContact O-CD1 3.36Å; K491-L495 WeakPolarHBondContact O-CG 3.27Å; K491-L495 PolarHBondContact O-N 2.97Å
492E56Low53.9Low108 Ų10885.3 Ų85.351%0.50541%0.406SS..Hα-helixtrans-66.8-52.3173.5-164.4171.4-151.100110.1A488 K489 L494 L495 E496A488-E492 VanDerWaalsContact O-CB 3.31Å; A488-E492 WeakPolarHBondContact O-CB 3.26Å; A488-E492 PolarHBondContact O-N 2.86Å; K489-E492 PolarHBondContact O-N 3.12Å; E492-L494 VanDerWaalsContact C-N 3.29Å; E492-L494 PolarHBondContact O-N 3.14Å; E492-L495 PolarHBondContact O-N 3.3Å; E492-E496 PolarHBondContact O-N 3.09Å
493E63.2Low54.7Low84 Ų8488.3 Ų88.339%0.39342%0.42SS..Hα-helixtrans-61.9-30.6175.5-70.7169.9-163.300112.9K489 Q497K489-E493 IonicContact NZ-OE1 2.79Å; K489-E493 PolarHBondContact NZ-OE1 2.97Å; K489-E493 WeakPolarHBondContact O-CB 3.42Å; K489-E493 VanDerWaalsContact O-CG 3.25Å; K489-E493 WeakPolarHBondContact O-CG 3.28Å; K489-E493 PolarHBondContact O-N 3.14Å; E493-Q497 WeakPolarHBondContact O-CB 3.26Å; E493-Q497 VanDerWaalsContact O-CG 3.23Å; E493-Q497 WeakPolarHBondContact O-CG 3.27Å; E493-Q497 PolarHBondContact O-N 3.12Å
494L55.9Low55.3Low102 Ų10293.8 Ų93.853%0.53445%0.445SS..Hα-helixtrans-80.5-19.4172.3-79.7169.6000114.6E490 E492E490-L494 WeakPolarHBondContact O-CB 3.45Å; E490-L494 WeakPolarHBondContact O-CD1 3.34Å; E490-L494 WeakPolarHBondContact O-CG 3.35Å; E490-L494 PolarHBondContact O-N 3.42Å; E492-L494 VanDerWaalsContact C-N 3.29Å; E492-L494 PolarHBondContact O-N 3.14Å
495L53.6Low55.8Low86 Ų8699.8 Ų99.845%0.4547%0.473SS..Hα-helixtrans-80.4-49.1171.4-83163.5000109.8K491 E492 Q497 K498 E499K491-L495 HydrophobicContact CG-CD1 4.31Å; K491-L495 WeakPolarHBondContact O-CB 3.46Å; K491-L495 WeakPolarHBondContact O-CD1 3.36Å; K491-L495 WeakPolarHBondContact O-CG 3.27Å; K491-L495 PolarHBondContact O-N 2.97Å; E492-L495 PolarHBondContact O-N 3.3Å; L495-Q497 VanDerWaalsContact C-N 3.27Å; L495-Q497 PolarHBondContact O-N 2.91Å; L495-K498 PolarHBondContact O-N 3.19Å; L495-E499 WeakPolarHBondContact O-CG 3.46Å; L495-E499 PolarHBondContact O-N 2.85Å
496E64.1Low56.2Low122 Ų122101.8 Ų101.857%0.5749%0.487SS*.Hα-helixtrans-53.1-43.4174.7-71.2-177.5157.700111.6E492 K498 H500E492-E496 PolarHBondContact O-N 3.09Å; E496-K498 PolarHBondContact O-N 2.75Å; E496-H500 WeakPolarHBondContact O-CB 3.5Å; E496-H500 PolarHBondContact O-N 3.24Å; E496-H500 VanDerWaalsContact O-N 3.08Å
497Q56.6Low56.4Low117 Ų117104.4 Ų104.455%0.54750%0.497SS..Hα-helixtrans-61.5-42.6175.9-77.9171.227.300113.1E493 L495 E501E493-Q497 WeakPolarHBondContact O-CB 3.26Å; E493-Q497 VanDerWaalsContact O-CG 3.23Å; E493-Q497 WeakPolarHBondContact O-CG 3.27Å; E493-Q497 PolarHBondContact O-N 3.12Å; L495-Q497 VanDerWaalsContact C-N 3.27Å; L495-Q497 PolarHBondContact O-N 2.91Å; Q497-E501 WeakPolarHBondContact O-CG 3.4Å; Q497-E501 PolarHBondContact O-N 2.83Å; Q497-E501 VanDerWaalsContact O-N 3.08Å
498K60.5Low56.7Low135 Ų135107.4 Ų107.459%0.58751%0.508SS*.Hα-helixtrans-74.6-35.8-179.1-81.2-171.6170.1-170.70113.4L495 E496 H500 E501 V502L495-K498 PolarHBondContact O-N 3.19Å; E496-K498 PolarHBondContact O-N 2.75Å; K498-H500 VanDerWaalsContact C-N 3.3Å; K498-E501 PolarHBondContact O-N 2.65Å; K498-V502 WeakPolarHBondContact O-CB 2.83Å; K498-V502 WeakPolarHBondContact O-CG2 3.28Å; K498-V502 PolarHBondContact O-N 3Å
499E58.2Low56.7Low125 Ų125112.3 Ų112.358%0.58453%0.53SS*.Hα-helixtrans-65-39.5174.9-71.6172.7176.400109.9L495 V502 E503L495-E499 WeakPolarHBondContact O-CG 3.46Å; L495-E499 PolarHBondContact O-N 2.85Å; E499-V502 PolarHBondContact O-N 3.47Å; E499-E503 PolarHBondContact O-N 3.41Å
500H65.5Low56.5Low136 Ų136111.3 Ų111.363%0.6354%0.541SS*.Hα-helixtrans-64.5-41.1172.7-117.6-55.1000114E496 K498 E504E496-H500 WeakPolarHBondContact O-CB 3.5Å; E496-H500 PolarHBondContact O-N 3.24Å; E496-H500 VanDerWaalsContact O-N 3.08Å; K498-H500 VanDerWaalsContact C-N 3.3Å; H500-E504 PolarHBondContact O-N 3.5Å; H500-E504 VanDerWaalsContact O-N 3.15Å
501E56.7Low56.1Low132 Ų132112 Ų11262%0.61756%0.559SS**Hα-helixtrans-63.5-42.5174.9-75.4-177.2150.900111.9Q497 K498 E504 E505Q497-E501 WeakPolarHBondContact O-CG 3.4Å; Q497-E501 PolarHBondContact O-N 2.83Å; Q497-E501 VanDerWaalsContact O-N 3.08Å; K498-E501 PolarHBondContact O-N 2.65Å; E501-E504 PolarHBondContact O-N 3.14Å; E501-E505 PolarHBondContact O-N 3.27Å; E501-E505 VanDerWaalsContact O-N 3.1Å
502V58.5Low55.6Low90 Ų90116.9 Ų116.955%0.54557%0.574SS.*Hα-helixtrans-71-36.8179.81720000112K498 E499 E504 T506K498-V502 WeakPolarHBondContact O-CB 2.83Å; K498-V502 WeakPolarHBondContact O-CG2 3.28Å; K498-V502 PolarHBondContact O-N 3Å; E499-V502 PolarHBondContact O-N 3.47Å; V502-E504 VanDerWaalsContact C-N 3.31Å; V502-E504 PolarHBondContact O-N 3.09Å; V502-T506 HydrophobicContact CG1-CG2 4.32Å; V502-T506 WeakPolarHBondContact O-CB 3.46Å; V502-T506 WeakPolarHBondContact O-CG2 3.2Å; V502-T506 PolarHBondContact O-N 3.16Å; V502-T506 PolarHBondContact O-OG1 3.08Å
503E60.2Low55Low85 Ų85119.9 Ų119.940%0.39758%0.581SS.*Hα-helixtrans-59.2-41.3169.4-84.3-136.7113.400111.9E499 T506 R507E499-E503 PolarHBondContact O-N 3.41Å; E503-T506 WeakPolarHBondContact CA-OG1 3.39Å; E503-T506 PolarHBondContact O-OG1 2.81Å; E503-T506 VanDerWaalsContact O-OG1 3.12Å; E503-R507 WeakPolarHBondContact O-CB 3.45Å; E503-R507 VanDerWaalsContact O-CG 3.29Å; E503-R507 WeakPolarHBondContact O-CG 3.38Å; E503-R507 PolarHBondContact O-N 3.48Å; E503-R507 IonicContact OE1-CZ 3.34Å; E503-R507 IonicContact OE1-NE 2.71Å; E503-R507 IonicContact OE1-NH2 3.4Å; E503-R507 PolarHBondContact OE1-NH2 3.23Å; E503-R507 IonicContact OE2-CZ 2.75Å; E503-R507 IonicContact OE2-NH2 3.89Å; E503-R507 PolarHBondContact OE2-NH2 2.97Å
504E59Low54Low115 Ų115124.3 Ų124.354%0.53759%0.594SS.*Hα-helixtrans-73.5-34.4-177.2-137.3-155.113600112.9H500 E501 V502 K508H500-E504 PolarHBondContact O-N 3.5Å; H500-E504 VanDerWaalsContact O-N 3.15Å; E501-E504 PolarHBondContact O-N 3.14Å; V502-E504 VanDerWaalsContact C-N 3.31Å; V502-E504 PolarHBondContact O-N 3.09Å; E504-K508 WeakPolarHBondContact O-CD 3.31Å; E504-K508 WeakPolarHBondContact O-CE 3.33Å; E504-K508 WeakPolarHBondContact O-CG 3.36Å; E504-K508 PolarHBondContact O-N 2.73Å; E504-K508 WeakPolarHBondContact OE1-CE 3.37Å; E504-K508 IonicContact OE1-NZ 2.79Å; E504-K508 PolarHBondContact OE1-NZ 2.94Å; E504-K508 IonicContact OE2-NZ 2.9Å
505E52.7Low53.6Low135 Ų135123.9 Ų123.963%0.63159%0.589SS**Hα-helixtrans-69.5-44.6170.6-75.4-139.5131.100112.4E501 R507 K508 L509E501-E505 PolarHBondContact O-N 3.27Å; E501-E505 VanDerWaalsContact O-N 3.1Å; E505-R507 PolarHBondContact O-N 3.15Å; E505-K508 PolarHBondContact O-N 2.75Å; E505-K508 VanDerWaalsContact O-N 3.12Å; E505-L509 PolarHBondContact O-N 2.93Å
506T52.9Low53.5Low76 Ų76125.4 Ų125.447%0.46660%0.598SS.*Hα-helixtrans-64.7-39.1-178.649.30000112.2V502 E503 K508 L509 A510V502-T506 HydrophobicContact CG1-CG2 4.32Å; V502-T506 WeakPolarHBondContact O-CB 3.46Å; V502-T506 WeakPolarHBondContact O-CG2 3.2Å; V502-T506 PolarHBondContact O-N 3.16Å; V502-T506 PolarHBondContact O-OG1 3.08Å; E503-T506 WeakPolarHBondContact CA-OG1 3.39Å; E503-T506 PolarHBondContact O-OG1 2.81Å; E503-T506 VanDerWaalsContact O-OG1 3.12Å; T506-K508 VanDerWaalsContact C-N 3.33Å; T506-K508 PolarHBondContact O-N 2.92Å; T506-L509 PolarHBondContact O-N 3.08Å; T506-A510 WeakPolarHBondContact O-CB 3.34Å; T506-A510 PolarHBondContact O-N 2.84Å
507R56.2Low52.8Low157 Ų157127 Ų12759%0.59261%0.61SS**Hα-helixtrans-63.3-34.5172.1-70.6176.8-167.4173.410.1113E503 E505E503-R507 WeakPolarHBondContact O-CB 3.45Å; E503-R507 VanDerWaalsContact O-CG 3.29Å; E503-R507 WeakPolarHBondContact O-CG 3.38Å; E503-R507 PolarHBondContact O-N 3.48Å; E503-R507 IonicContact OE1-CZ 3.34Å; E503-R507 IonicContact OE1-NE 2.71Å; E503-R507 IonicContact OE1-NH2 3.4Å; E503-R507 PolarHBondContact OE1-NH2 3.23Å; E503-R507 IonicContact OE2-CZ 2.75Å; E503-R507 IonicContact OE2-NH2 3.89Å; E503-R507 PolarHBondContact OE2-NH2 2.97Å; E505-R507 PolarHBondContact O-N 3.15Å
508K54.9Low52Low129 Ų129127.5 Ų127.556%0.56162%0.615SS**Hα-helixtrans-71.7-31.5175-70.4163.4-166.7162.20112.5E504 E505 T506E504-K508 WeakPolarHBondContact O-CD 3.31Å; E504-K508 WeakPolarHBondContact O-CE 3.33Å; E504-K508 WeakPolarHBondContact O-CG 3.36Å; E504-K508 PolarHBondContact O-N 2.73Å; E504-K508 WeakPolarHBondContact OE1-CE 3.37Å; E504-K508 IonicContact OE1-NZ 2.79Å; E504-K508 PolarHBondContact OE1-NZ 2.94Å; E504-K508 IonicContact OE2-NZ 2.9Å; E505-K508 PolarHBondContact O-N 2.75Å; E505-K508 VanDerWaalsContact O-N 3.12Å; T506-K508 VanDerWaalsContact C-N 3.33Å; T506-K508 PolarHBondContact O-N 2.92Å
509L45.9Very low51.1Low129 Ų129124.9 Ų124.968%0.67562%0.619SS**Hα-helixtrans-78.5-36.4177-76.4162.5000113.1E505 T506 A511E505-L509 PolarHBondContact O-N 2.93Å; T506-L509 PolarHBondContact O-N 3.08Å; L509-A511 PolarHBondContact O-N 2.9Å
510A47.9Very low50.1Low83 Ų83130.1 Ų130.169%0.68663%0.633SS**Hα-helixtrans-65.3-18.4179.800000114.1T506 R512T506-A510 WeakPolarHBondContact O-CB 3.34Å; T506-A510 PolarHBondContact O-N 2.84Å; A510-R512 PolarHBondContact O-N 3.24Å; A510-R512 VanDerWaalsContact O-N 3.1Å
511A44.7Very low48.8Very low86 Ų86128.9 Ų128.971%0.71164%0.637SS**THydrogen-bonded Turntrans-76.914.1-175.200000115.6L509L509-A511 PolarHBondContact O-N 2.9Å
512R44.7Very low48.2Very low223 Ų223134.5 Ų134.584%0.84265%0.653SS**SBendtrans-125.7119176.9-74.5-175.4169.5-175.2-3.4111.4A510 W514A510-R512 PolarHBondContact O-N 3.24Å; A510-R512 VanDerWaalsContact O-N 3.1Å; R512-W514 PolarHBondContact O-N 2.98Å
513R42.1Very low47.9Very low170 Ų170136.4 Ų136.464%0.64266%0.659SS**  trans-67.3127.7-177.6-113.3-179.8172.2177-2.7111.5Q515 D516R513-Q515 VanDerWaalsContact C-N 3.28Å; R513-Q515 PolarHBondContact O-N 3.21Å; R513-D516 WeakPolarHBondContact CB-OD2 3.26Å
514W42.9Very low47.9Very low177 Ų177138 Ų13867%0.6767%0.671SS**SBendtrans-70.6-24.6174.658.8-93.5000112.9R512 D516 L517 L518R512-W514 PolarHBondContact O-N 2.98Å; W514-D516 VanDerWaalsContact C-N 3.31Å; W514-D516 PolarHBondContact O-N 2.87Å; W514-L517 PolarHBondContact O-N 3.2Å; W514-L518 HydrophobicContact CE3-CD1 3.76Å; W514-L518 HydrophobicContact CZ3-CD1 3.73Å
515Q47.8Very low48.3Very low93 Ų93134.3 Ų134.344%0.43565%0.652SS.*G310 helixtrans-64.4-33.4-179.5-68.2169.3-30.700112.5R513 L517 L518R513-Q515 VanDerWaalsContact C-N 3.28Å; R513-Q515 PolarHBondContact O-N 3.21Å; Q515-L517 PolarHBondContact O-N 3.42Å; Q515-L518 PolarHBondContact O-N 3.48Å
516D50.6Low49Very low119 Ų119132.4 Ų132.464%0.63665%0.65SS**G310 helixtrans-70-14.3-179.6-58.3-46.1000113R513 W514R513-D516 WeakPolarHBondContact CB-OD2 3.26Å; W514-D516 VanDerWaalsContact C-N 3.31Å; W514-D516 PolarHBondContact O-N 2.87Å
517L49.6Very low49.6Very low156 Ų156131.6 Ų131.682%0.81766%0.656SS**G310 helixtrans-90.6-3.7177.3-70.1165.7000113.8W514 Q515W514-L517 PolarHBondContact O-N 3.2Å; Q515-L517 PolarHBondContact O-N 3.42Å
518L40.4Very low50.4Low126 Ų126125.3 Ų125.366%0.6663%0.634SS**  trans-106.5-0.4-175.1-72.3170000114.5W514 Q515 R520W514-L518 HydrophobicContact CE3-CD1 3.76Å; W514-L518 HydrophobicContact CZ3-CD1 3.73Å; Q515-L518 PolarHBondContact O-N 3.48Å; L518-R520 PolarHBondContact O-N 3.08Å
519A41.8Very low51.7Low80 Ų80119.2 Ų119.266%0.66161%0.608SS**SBendtrans-63.2122.3175.700000110.9P521A519-P521 WeakPolarHBondContact O-CD 3.49Å
520R37.9Very low53.3Low236 Ų236115.7 Ų115.789%0.89159%0.59SS**PPolyproline II helixtrans-54.7126177.7-79.2-173.2174-167.5-1110.4L518 R522L518-R520 PolarHBondContact O-N 3.08Å; R520-R522 PolarHBondContact O-N 3.35Å
521P37.5Very low54.8Low109 Ų109120.5 Ų120.571%0.70860%0.598SS**PPolyproline II helixtrans-57.1138.3170.1-2434.1000110.7A519 L523A519-P521 WeakPolarHBondContact O-CD 3.49Å; P521-L523 PolarHBondContact O-N 2.95Å
522R44.8Very low56.5Low250 Ų250121 Ų12194%0.94359%0.588SS**  trans-70.2100.7162.6-69.6-175.4179.6-172.5-0.5107.1R520 D524R520-R522 PolarHBondContact O-N 3.35Å; R522-D524 PolarHBondContact O-N 3.28Å
523L51.6Low58.6Low130 Ų130110.6 Ų110.668%0.68155%0.55SS*.  trans-68.3117.5174.7-75.9165.7000109P521 Y525P521-L523 PolarHBondContact O-N 2.95Å; L523-Y525 HydrophobicContact CB-CD2 4.31Å; L523-Y525 HydrophobicContact CB-CE2 3.72Å
524D60Low60.6Low120 Ų120102.5 Ų102.564%0.64252%0.519SS*.  trans-90.6116.3175.2-167.8-19.4000109.1R522 T526R522-D524 PolarHBondContact O-N 3.28Å; D524-T526 VanDerWaalsContact CG-OG1 3.27Å; D524-T526 WeakPolarHBondContact OD1-CB 3.27Å; D524-T526 WeakPolarHBondContact OD1-CG2 3.22Å; D524-T526 PolarHBondContact OD1-N 3.19Å; D524-T526 PolarHBondContact OD1-OG1 3.32Å
525Y66.7Low62.6Low37 Ų3798.2 Ų98.215%0.14551%0.509CS..  trans-90.6-3.3-177-81.7-90.4000113.6L523 G527 I528 F529 H603 N606L523-Y525 HydrophobicContact CB-CD2 4.31Å; L523-Y525 HydrophobicContact CB-CE2 3.72Å; Y525-G527 PolarHBondContact O-N 3.2Å; Y525-G527 VanDerWaalsContact O-N 3.13Å; Y525-I528 HydrophobicContact CD1-CB 4.38Å; Y525-I528 HydrophobicContact CD1-CD1 3.75Å; Y525-I528 HydrophobicContact CE1-CD1 3.8Å; Y525-I528 PolarHBondContact O-N 3.22Å; Y525-F529 HydrophobicContact CD1-CD2 4.24Å; Y525-F529 AromaticContact CD1-CE2 3.78Å; Y525-F529 HydrophobicContact CD1-CE2 3.78Å; Y525-F529 PolarHBondContact O-N 3.19Å; Y525-H603 AromaticContact CE1-ND1 3.79Å; Y525-N606 HydrophobicContact CD1-CB 3.98Å; Y525-N606 HydrophobicContact CD2-CB 4.29Å; Y525-N606 HydrophobicContact CE1-CB 3.65Å; Y525-N606 HydrophobicContact CE2-CB 3.97Å; Y525-N606 HydrophobicContact CG-CB 4.3Å; Y525-N606 PolarHBondContact OH-ND2 3.1Å
526T66.9Low64.4Low95 Ų9599.5 Ų99.558%0.58351%0.514SS*.THydrogen-bonded Turntrans-63.3-15.5175.958.90000113.7D524 F529 F610D524-T526 VanDerWaalsContact CG-OG1 3.27Å; D524-T526 WeakPolarHBondContact OD1-CB 3.27Å; D524-T526 WeakPolarHBondContact OD1-CG2 3.22Å; D524-T526 PolarHBondContact OD1-N 3.19Å; D524-T526 PolarHBondContact OD1-OG1 3.32Å; T526-F529 CarbonylContact C-O 3.08Å; T526-F610 HydrophobicContact CG2-CE2 4.38Å
527G66.5Low66.1Low58 Ų5897.5 Ų97.560%0.59851%0.508SS*.THydrogen-bonded Turntrans-87.9-3.9171.300000115.3Y525 Y548Y525-G527 PolarHBondContact O-N 3.2Å; Y525-G527 VanDerWaalsContact O-N 3.13Å; G527-Y548 PolarHBondContact O-OH 2.91Å
528I72.5Confident68Low25 Ų2591.9 Ų91.913%0.12849%0.488CS..THydrogen-bonded Turntrans-115.5-40.9-179.2-63.8172.5000110.6Y525 Y548 P549Y525-I528 HydrophobicContact CD1-CB 4.38Å; Y525-I528 HydrophobicContact CD1-CD1 3.75Å; Y525-I528 HydrophobicContact CE1-CD1 3.8Å; Y525-I528 PolarHBondContact O-N 3.22Å; I528-Y548 HydrophobicContact CD1-CE2 3.94Å; I528-Y548 HydrophobicContact CG1-CE1 3.88Å; I528-Y548 HydrophobicContact CG1-CE2 3.99Å; I528-Y548 VanDerWaalsContact CG1-CZ 3.47Å; I528-Y548 VanDerWaalsContact CG1-OH 3.31Å; I528-Y548 WeakPolarHBondContact CG1-OH 3.42Å; I528-P549 HydrophobicContact CG2-CB 3.9Å; I528-P549 HydrophobicContact CG2-CG 3.75Å
529F82.5Confident70.3Confident2 Ų287.9 Ų87.91%0.00947%0.468CS..SBendtrans-113.9121.1175.1-50.5-55.1000108Y525 T526 T533 W542 L607 F610Y525-F529 HydrophobicContact CD1-CD2 4.24Å; Y525-F529 AromaticContact CD1-CE2 3.78Å; Y525-F529 HydrophobicContact CD1-CE2 3.78Å; Y525-F529 PolarHBondContact O-N 3.19Å; T526-F529 CarbonylContact C-O 3.08Å; F529-T533 HydrophobicContact CB-CG2 4.33Å; F529-W542 AromaticContact CD1-CE2 3.82Å; F529-W542 AromaticContact CD1-CZ2 3.77Å; F529-W542 HydrophobicContact CD1-CZ2 3.77Å; F529-W542 AromaticContact CD1-NE1 3.84Å; F529-W542 HydrophobicContact CE1-CD2 4.3Å; F529-W542 AromaticContact CE1-CE2 3.9Å; F529-W542 HydrophobicContact CE1-CZ2 4.16Å; F529-W542 AromaticContact CE1-NE1 3.95Å; F529-L607 HydrophobicContact CD1-CD1 3.77Å; F529-L607 HydrophobicContact CD2-CD1 4.12Å; F529-L607 HydrophobicContact CE1-CB 4.13Å; F529-L607 HydrophobicContact CE1-CD1 3.91Å; F529-L607 HydrophobicContact CE1-CD2 4.33Å; F529-L607 HydrophobicContact CE1-CG 4.34Å; F529-L607 HydrophobicContact CE2-CB 3.85Å; F529-L607 HydrophobicContact CE2-CD1 4.25Å; F529-L607 HydrophobicContact CG-CD1 3.89Å; F529-L607 HydrophobicContact CZ-CB 3.64Å; F529-L607 HydrophobicContact CZ-CD1 4.16Å; F529-L607 HydrophobicContact CZ-CG 4.34Å; F529-F610 HydrophobicContact CB-CD1 3.75Å; F529-F610 HydrophobicContact CB-CD2 4.26Å; F529-F610 HydrophobicContact CB-CE1 3.59Å; F529-F610 HydrophobicContact CB-CE2 4.12Å; F529-F610 HydrophobicContact CB-CG 4.09Å; F529-F610 HydrophobicContact CB-CZ 3.78Å; F529-F610 HydrophobicContact CD2-CB 4.18Å; F529-F610 HydrophobicContact CD2-CD1 4.43Å; F529-F610 HydrophobicContact CD2-CG 4.14Å; F529-F610 HydrophobicContact CG-CD1 4.39Å; F529-F610 WeakPolarHBondContact O-CZ 3.48Å
530D80.3Confident72.6Confident55 Ų5585 Ų8529%0.29444%0.441SS..  trans-78.6164.5-178.747.746.7000111.6D532 T533 R551D530-D532 PolarHBondContact O-N 3.47Å; D530-D532 VanDerWaalsContact O-N 3.17Å; D530-T533 PolarHBondContact N-OG1 3.5Å; D530-T533 VanDerWaalsContact O-CB 3.3Å; D530-T533 WeakPolarHBondContact O-CB 3.37Å; D530-T533 PolarHBondContact O-N 3.19Å; D530-T533 PolarHBondContact O-OG1 2.84Å; D530-T533 WeakPolarHBondContact OD1-CB 3.48Å; D530-T533 PolarHBondContact OD1-N 3.35Å; D530-T533 PolarHBondContact OD1-OG1 3.15Å; D530-R551 IonicContact OD1-NH1 3.93Å; D530-R551 PolarHBondContact OD1-NH1 2.73Å; D530-R551 IonicContact OD2-CZ 3.52Å; D530-R551 IonicContact OD2-NH1 2.64Å; D530-R551 PolarHBondContact OD2-NH1 2.76Å
531E77.9Confident75.2Confident183 Ų18374 Ų7486%0.85540%0.4SS*.THydrogen-bonded Turntrans-61.6-21.9178.4-65.7-172.6167.200112.6I535E531-I535 WeakPolarHBondContact O-CD1 3.03Å
532D81.9Confident77.7Confident97 Ų9768.9 Ų68.952%0.51937%0.367SS..THydrogen-bonded Turntrans-82.6-10.9176.8-68.4-56.9000114D530 G534 I535D530-D532 PolarHBondContact O-N 3.47Å; D530-D532 VanDerWaalsContact O-N 3.17Å; D532-G534 PolarHBondContact O-N 2.9Å; D532-I535 PolarHBondContact O-N 2.93Å
533T87.6Confident79.9Confident4 Ų457.5 Ų57.53%0.02532%0.324CS..THydrogen-bonded Turntrans-63.6124.7-176.5-70.70000110.6F529 D530 I535 W542 L570 L607 L611F529-T533 HydrophobicContact CB-CG2 4.33Å; D530-T533 PolarHBondContact N-OG1 3.5Å; D530-T533 VanDerWaalsContact O-CB 3.3Å; D530-T533 WeakPolarHBondContact O-CB 3.37Å; D530-T533 PolarHBondContact O-N 3.19Å; D530-T533 PolarHBondContact O-OG1 2.84Å; D530-T533 WeakPolarHBondContact OD1-CB 3.48Å; D530-T533 PolarHBondContact OD1-N 3.35Å; D530-T533 PolarHBondContact OD1-OG1 3.15Å; T533-I535 VanDerWaalsContact C-N 3.29Å; T533-I535 PolarHBondContact O-N 3.45Å; T533-W542 HydrophobicContact CG2-CH2 3.92Å; T533-W542 HydrophobicContact CG2-CZ2 3.96Å; T533-L570 HydrophobicContact CG2-CD2 3.99Å; T533-L607 HydrophobicContact CG2-CD1 3.91Å; T533-L611 HydrophobicContact CG2-CD2 4.42Å; T533-L611 WeakPolarHBondContact O-CD2 3.5Å
534G85.2Confident81.5Confident1 Ų151.3 Ų51.31%0.0129%0.292CS..THydrogen-bonded Turntrans75.52.1-179.500000116.3D532 T572 W582D532-G534 PolarHBondContact O-N 2.9Å; G534-T572 WeakPolarHBondContact O-CG2 3.37Å; G534-W582 PolarHBondContact O-NE1 3Å
535I85.1Confident82.3Confident86 Ų8648 Ų4844%0.44127%0.274SS..THydrogen-bonded Turntrans-81.1-25.8-179.5-66.4-167.6000113.1E531 D532 T533 F580E531-I535 WeakPolarHBondContact O-CD1 3.03Å; D532-I535 PolarHBondContact O-N 2.93Å; T533-I535 VanDerWaalsContact C-N 3.29Å; T533-I535 PolarHBondContact O-N 3.45Å; I535-F580 WeakPolarHBondContact O-CE1 3.02Å; I535-F580 WeakPolarHBondContact O-CZ 3.37Å
536H85Confident82.5Confident120 Ų12051.9 Ų51.956%0.55629%0.294SS*.SBendtrans-111.9142.3-175.6-62.691.7000111.5G538 T572H536-G538 PolarHBondContact O-N 2.71Å; H536-T572 VanDerWaalsContact O-CB 3.31Å; H536-T572 WeakPolarHBondContact O-CB 3.43Å; H536-T572 WeakPolarHBondContact O-CG2 3.23Å
537P86.8Confident82.8Confident77 Ų7750.5 Ų50.550%0.528%0.28SS..SBendtrans-63.9133.8173.8-19.132.4000111.3T572 I574 F580P537-T572 WeakPolarHBondContact CA-O 3.34Å; P537-I574 HydrophobicContact CG-CD1 3.49Å; P537-I574 VanDerWaalsContact CG-CD1 3.49Å; P537-I574 HydrophobicContact CG-CG1 3.89Å; P537-F580 HydrophobicContact CG-CE1 4.17Å
538G88Confident83.5Confident39 Ų3953.8 Ų53.840%0.40228%0.275SS..EExtended strand (participates in β ladder)trans151.6-162.4-176.400000113H536 T572H536-G538 PolarHBondContact O-N 2.71Å; G538-T572 PolarHBondContact N-O 2.98Å; G538-T572 VanDerWaalsContact N-O 3.1Å; G538-T572 PolarHBondContact O-N 2.91Å
539V89.4Confident84.1Confident41 Ų4152.8 Ų52.825%0.24827%0.27CS..EExtended strand (participates in β ladder)trans-123.3133.7176179.80000108.9I569 L570 Q571 L632V539-I569 HydrophobicContact CG1-CG2 3.64Å; V539-L570 CarbonylContact C-O 3.59Å; V539-L570 VanDerWaalsContact CA-O 3.28Å; V539-L570 WeakPolarHBondContact CA-O 3.49Å; V539-Q571 HydrophobicContact CG2-CG 4.47Å; V539-L632 HydrophobicContact CG2-CB 4.49Å; V539-L632 HydrophobicContact CG2-CD2 4.22Å
540Q90.7Very high84.3Confident20 Ų2058.7 Ų58.79%0.09330%0.296CS..EExtended strand (participates in β ladder)trans-122.7141.5175-57.6-176.1-79.800109W542 I569 L570Q540-W542 HydrophobicContact CB-CH2 3.68Å; Q540-W542 HydrophobicContact CB-CZ3 3.83Å; Q540-I569 WeakPolarHBondContact O-CA 3.24Å; Q540-L570 HydrophobicContact CB-CB 4.42Å; Q540-L570 PolarHBondContact N-O 2.96Å; Q540-L570 PolarHBondContact O-N 2.97Å
541M91.8Very high84.6Confident6 Ų660 Ų603%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-134.8143.7-174-179.5162.174.800112V552 L557 L561 Y567 V568 I569M541-V552 HydrophobicContact CB-CB 4.36Å; M541-V552 HydrophobicContact CB-CG2 4.4Å; M541-V552 HydrophobicContact CE-CB 4.25Å; M541-V552 HydrophobicContact CE-CG1 4.06Å; M541-V552 HydrophobicContact CE-CG2 4.04Å; M541-V552 HydrophobicContact CG-CG2 4.07Å; M541-V552 PolarHBondContact O-N 3.02Å; M541-L557 HydrophobicContact CB-CD1 4.37Å; M541-L557 HydrophobicContact CB-CD2 4.03Å; M541-L557 HydrophobicContact CB-CG 4.43Å; M541-L557 HydrophobicContact CE-CD2 3.71Å; M541-L557 HydrophobicContact CE-CG 4.2Å; M541-L557 HydrophobicContact SD-CD2 4.23Å; M541-L561 HydrophobicContact CE-CD2 4.31Å; M541-L561 HydrophobicContact SD-CD2 3.92Å; M541-Y567 HydrophobicContact CG-CD1 4.36Å; M541-Y567 HydrophobicContact SD-CD1 4.26Å; M541-V568 CarbonylContact C-O 3.58Å; M541-V568 WeakPolarHBondContact CA-O 3.34Å; M541-I569 HydrophobicContact CB-CG1 4.49Å; M541-I569 HydrophobicContact CG-CG1 4.04Å; M541-I569 HydrophobicContact SD-CG1 4.05Å
542W91Very high84.9Confident1 Ų152.4 Ų52.40%0.00426%0.263CS..EExtended strand (participates in β ladder)trans-128.3136.9174.4-60.6-108.7000110.7F529 T533 Q540 P549 K550 Y567 V568 L570 L607F529-W542 AromaticContact CD1-CE2 3.82Å; F529-W542 AromaticContact CD1-CZ2 3.77Å; F529-W542 HydrophobicContact CD1-CZ2 3.77Å; F529-W542 AromaticContact CD1-NE1 3.84Å; F529-W542 HydrophobicContact CE1-CD2 4.3Å; F529-W542 AromaticContact CE1-CE2 3.9Å; F529-W542 HydrophobicContact CE1-CZ2 4.16Å; F529-W542 AromaticContact CE1-NE1 3.95Å; T533-W542 HydrophobicContact CG2-CH2 3.92Å; T533-W542 HydrophobicContact CG2-CZ2 3.96Å; Q540-W542 HydrophobicContact CB-CH2 3.68Å; Q540-W542 HydrophobicContact CB-CZ3 3.83Å; W542-P549 HydrophobicContact CB-CB 3.81Å; W542-P549 HydrophobicContact CG-CB 4.12Å; W542-K550 CarbonylContact C-O 3.55Å; W542-K550 VanDerWaalsContact CA-O 3.28Å; W542-K550 WeakPolarHBondContact CA-O 3.36Å; W542-Y567 CarbonylContact O-C 3.57Å; W542-Y567 WeakPolarHBondContact O-CA 3.27Å; W542-V568 PolarHBondContact N-O 2.92Å; W542-V568 PolarHBondContact O-N 2.99Å; W542-L570 HydrophobicContact CH2-CB 4.2Å; W542-L570 HydrophobicContact CH2-CD2 4.19Å; W542-L570 HydrophobicContact CZ3-CB 3.79Å; W542-L607 HydrophobicContact CE3-CD2 4.49Å; W542-L607 HydrophobicContact CH2-CD2 4.18Å; W542-L607 HydrophobicContact CZ3-CD2 3.91Å
543E89.5Confident84.8Confident10 Ų1054.6 Ų54.65%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-102.8144.1176.7-179.9175.4-104.800110.5D545 K550 V552 Y567 R644E543-D545 PolarHBondContact O-N 2.76Å; E543-K550 PolarHBondContact N-O 2.89Å; E543-K550 PolarHBondContact O-N 3.18Å; E543-V552 HydrophobicContact CB-CG2 4.24Å; E543-Y567 HydrophobicContact CB-CD1 3.82Å; E543-Y567 HydrophobicContact CB-CE1 3.56Å; E543-Y567 HydrophobicContact CG-CD1 4.11Å; E543-Y567 HydrophobicContact CG-CE1 3.45Å; E543-Y567 VanDerWaalsContact CG-CE1 3.45Å; E543-Y567 WeakPolarHBondContact OE1-CE1 3.37Å; E543-Y567 PolarHBondContact OE1-OH 3.04Å; E543-R644 VanDerWaalsContact CD-CD 3.4Å; E543-R644 VanDerWaalsContact CD-NH1 3.3Å; E543-R644 WeakPolarHBondContact OE1-CD 3.45Å; E543-R644 IonicContact OE1-CZ 3.09Å; E543-R644 IonicContact OE1-NE 2.81Å; E543-R644 IonicContact OE1-NH1 3.92Å; E543-R644 PolarHBondContact OE1-NH1 2.82Å; E543-R644 VanDerWaalsContact OE1-NH1 3.14Å; E543-R644 WeakPolarHBondContact OE2-CD 3.19Å; E543-R644 IonicContact OE2-CZ 2.69Å; E543-R644 IonicContact OE2-NE 3.48Å; E543-R644 IonicContact OE2-NH1 2.66Å; E543-R644 PolarHBondContact OE2-NH1 2.93Å
544L86.4Confident83.9Confident1 Ų159.2 Ų59.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-95.189.7179.9-65.1-175.5000114P549 C566 C599 A600L544-P549 HydrophobicContact CD2-CB 4.19Å; L544-P549 HydrophobicContact CD2-CG 3.98Å; L544-C566 WeakPolarHBondContact CB-O 3.35Å; L544-C566 HydrophobicContact CD1-CB 4.13Å; L544-C566 WeakPolarHBondContact CG-O 3.43Å; L544-C566 PolarHBondContact N-O 3.31Å; L544-C599 HydrophobicContact CD1-CB 4.07Å; L544-A600 HydrophobicContact CD1-CB 3.72Å
545D76.4Confident82.9Confident51 Ų5166.3 Ų66.327%0.27333%0.332SS..EExtended strand (participates in β ladder)trans-90.9127.7164.8-1757.8000109.9E543 F547 Y548E543-D545 PolarHBondContact O-N 2.76Å; D545-F547 PolarHBondContact O-N 2.85Å; D545-Y548 PolarHBondContact N-O 3.35Å; D545-Y548 PolarHBondContact O-N 2.86Å
546Q70.9Confident81.7Confident117 Ų11766 Ų6655%0.54733%0.334SS..THydrogen-bonded Turntrans47.440175-71.7156.885.700114.9Y548Q546-Y548 VanDerWaalsContact C-N 3.3Å; Q546-Y548 PolarHBondContact O-N 2.8Å
547F74Confident80.6Confident67 Ų6762.3 Ų62.329%0.29432%0.318SS..THydrogen-bonded Turntrans7012.1-177.9-48.2-65.8000116.5D545 D595 C599 H603 T647 F649D545-F547 PolarHBondContact O-N 2.85Å; F547-D595 HydrophobicContact CE1-CB 3.45Å; F547-D595 VanDerWaalsContact CE1-CB 3.45Å; F547-D595 HydrophobicContact CZ-CB 3.73Å; F547-C599 HydrophobicContact CD1-CB 3.99Å; F547-C599 PolarHBondContact O-SG 3.19Å; F547-H603 PolarHBondContact O-NE2 3.44Å; F547-T647 HydrophobicContact CE1-CG2 4.21Å; F547-T647 WeakPolarHBondContact CE2-O 3.31Å; F547-T647 HydrophobicContact CZ-CG2 4.04Å; F547-F649 HydrophobicContact CE2-CD2 4.45Å; F547-F649 HydrophobicContact CE2-CE2 4.05Å; F547-F649 HydrophobicContact CZ-CD2 4.1Å; F547-F649 AromaticContact CZ-CE2 3.92Å; F547-F649 HydrophobicContact CZ-CE2 3.92Å
548Y80.5Confident79.5Confident126 Ų12664.4 Ų64.449%0.49432%0.321SS..EExtended strand (participates in β ladder)trans-113.9132.2179-151.8-96.6000111.1G527 I528 D545 Q546 K550G527-Y548 PolarHBondContact O-OH 2.91Å; I528-Y548 HydrophobicContact CD1-CE2 3.94Å; I528-Y548 HydrophobicContact CG1-CE1 3.88Å; I528-Y548 HydrophobicContact CG1-CE2 3.99Å; I528-Y548 VanDerWaalsContact CG1-CZ 3.47Å; I528-Y548 VanDerWaalsContact CG1-OH 3.31Å; I528-Y548 WeakPolarHBondContact CG1-OH 3.42Å; D545-Y548 PolarHBondContact N-O 3.35Å; D545-Y548 PolarHBondContact O-N 2.86Å; Q546-Y548 VanDerWaalsContact C-N 3.3Å; Q546-Y548 PolarHBondContact O-N 2.8Å; Y548-K550 PolarHBondContact O-N 2.73Å
549P86Confident78.6Confident5 Ų562.6 Ų62.63%0.03230%0.302CS..EExtended strand (participates in β ladder)trans-73.2116.8175.2-14.631.5000110I528 W542 L544 H603I528-P549 HydrophobicContact CG2-CB 3.9Å; I528-P549 HydrophobicContact CG2-CG 3.75Å; W542-P549 HydrophobicContact CB-CB 3.81Å; W542-P549 HydrophobicContact CG-CB 4.12Å; L544-P549 HydrophobicContact CD2-CB 4.19Å; L544-P549 HydrophobicContact CD2-CG 3.98Å; P549-H603 HydrophobicContact CG-CB 3.86Å; P549-H603 VanDerWaalsContact CG-CD2 3.49Å; P549-H603 WeakPolarHBondContact CG-CD2 3.31Å
550K84.9Confident78.4Confident126 Ų12664.7 Ų64.755%0.54831%0.309SS..EExtended strand (participates in β ladder)trans-102.9116.4174.1-174.4-174.5175.5-167.40108.9W542 E543 Y548 V552W542-K550 CarbonylContact C-O 3.55Å; W542-K550 VanDerWaalsContact CA-O 3.28Å; W542-K550 WeakPolarHBondContact CA-O 3.36Å; E543-K550 PolarHBondContact N-O 2.89Å; E543-K550 PolarHBondContact O-N 3.18Å; Y548-K550 PolarHBondContact O-N 2.73Å; K550-V552 PolarHBondContact O-N 2.94Å
551R87.1Confident78.3Confident83 Ų8363.8 Ų63.831%0.31331%0.305SS..EExtended strand (participates in β ladder)trans-56.9130.5176-174.7171.6170.4171.9-2.4109.8D530 D554D530-R551 IonicContact OD1-NH1 3.93Å; D530-R551 PolarHBondContact OD1-NH1 2.73Å; D530-R551 IonicContact OD2-CZ 3.52Å; D530-R551 IonicContact OD2-NH1 2.64Å; D530-R551 PolarHBondContact OD2-NH1 2.76Å; R551-D554 IonicContact NH2-OD1 3.6Å; R551-D554 IonicContact NH2-OD2 2.91Å
552V85.1Confident78.1Confident22 Ų2264.9 Ų64.913%0.13331%0.311CS..PPolyproline II helixtrans-81.8137.3172.8-178.90000107.8M541 E543 K550 V556M541-V552 HydrophobicContact CB-CB 4.36Å; M541-V552 HydrophobicContact CB-CG2 4.4Å; M541-V552 HydrophobicContact CE-CB 4.25Å; M541-V552 HydrophobicContact CE-CG1 4.06Å; M541-V552 HydrophobicContact CE-CG2 4.04Å; M541-V552 HydrophobicContact CG-CG2 4.07Å; M541-V552 PolarHBondContact O-N 3.02Å; E543-V552 HydrophobicContact CB-CG2 4.24Å; K550-V552 PolarHBondContact O-N 2.94Å; V552-V556 HydrophobicContact CG1-CB 4.29Å
553E78.6Confident78Confident144 Ų14465.1 Ų65.167%0.67331%0.312SS*.PPolyproline II helixtrans-70.5137.3179.8-68.3171.3175.900110.4D555 V556E553-D555 PolarHBondContact O-N 3.21Å; E553-D555 VanDerWaalsContact O-N 3.15Å; E553-V556 HydrophobicContact CB-CG2 4.1Å; E553-V556 WeakPolarHBondContact O-CA 3.08Å; E553-V556 WeakPolarHBondContact O-CB 3.38Å; E553-V556 PolarHBondContact O-N 3.3Å
554D69Low77.8Confident100 Ų10064.9 Ų64.954%0.53531%0.313SS..G310 helixtrans-60-30.2-170.8-54.4-8.6000112.4R551 V556 L557R551-D554 IonicContact NH2-OD1 3.6Å; R551-D554 IonicContact NH2-OD2 2.91Å; D554-V556 PolarHBondContact O-N 3.5Å; D554-L557 PolarHBondContact O-N 3.14Å
555D64.2Low77.8Confident150 Ų15064.9 Ų64.980%0.80231%0.313SS*.G310 helixtrans-66.5-16.8174-69.3-25.8000114.1E553E553-D555 PolarHBondContact O-N 3.21Å; E553-D555 VanDerWaalsContact O-N 3.15Å
556V61.5Low78.6Confident81 Ų8162.4 Ų62.449%0.49130%0.3SS..G310 helixtrans-106-1.3-172.9-169.10000111.8V552 E553 D554 Q558V552-V556 HydrophobicContact CG1-CB 4.29Å; E553-V556 HydrophobicContact CB-CG2 4.1Å; E553-V556 WeakPolarHBondContact O-CA 3.08Å; E553-V556 WeakPolarHBondContact O-CB 3.38Å; E553-V556 PolarHBondContact O-N 3.3Å; D554-V556 PolarHBondContact O-N 3.5Å; V556-Q558 PolarHBondContact O-N 3.12Å
557L61.8Low79.6Confident41 Ų4157 Ų5722%0.21527%0.274CS..  trans-75.263.9-177.3-110.8159.8000112.8M541 D554 F633M541-L557 HydrophobicContact CB-CD1 4.37Å; M541-L557 HydrophobicContact CB-CD2 4.03Å; M541-L557 HydrophobicContact CB-CG 4.43Å; M541-L557 HydrophobicContact CE-CD2 3.71Å; M541-L557 HydrophobicContact CE-CG 4.2Å; M541-L557 HydrophobicContact SD-CD2 4.23Å; D554-L557 PolarHBondContact O-N 3.14Å; L557-F633 HydrophobicContact CD2-CE1 4.21Å
558Q62.5Low80.5Confident122 Ų12254 Ų5457%0.5726%0.261SS*.SBendtrans-105.621.9-173.4-59.8-17812.400113.9V556 H560V556-Q558 PolarHBondContact O-N 3.12Å; Q558-H560 VanDerWaalsContact C-N 3.28Å; Q558-H560 PolarHBondContact O-N 3.01Å
559G70.6Confident81.1Confident0 Ų048 Ų480%024%0.237CC..SBendtrans72.312.6178.500000115.7I638G559-I638 PolarHBondContact O-N 3.19Å
560H84.1Confident81.5Confident85 Ų8547.7 Ų47.739%0.39424%0.236SC..EExtended strand (participates in β ladder)trans-88116.6178.2-66.3-49.2000112.4Q558 I638 L640Q558-H560 VanDerWaalsContact C-N 3.28Å; Q558-H560 PolarHBondContact O-N 3.01Å; H560-I638 WeakPolarHBondContact CA-O 3.25Å; H560-L640 HydrophobicContact CB-CD1 4.26Å
561L88.7Confident81.8Confident1 Ų144.1 Ų44.11%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-121.1154.6177.3-55.5-177.1000111.6M541 Y567 W587 L637 I638 V639 L640M541-L561 HydrophobicContact CE-CD2 4.31Å; M541-L561 HydrophobicContact SD-CD2 3.92Å; L561-Y567 HydrophobicContact CB-CD2 4.38Å; L561-Y567 HydrophobicContact CB-CE2 3.99Å; L561-Y567 HydrophobicContact CD2-CD1 3.98Å; L561-Y567 HydrophobicContact CD2-CD2 3.88Å; L561-Y567 HydrophobicContact CD2-CE1 4.08Å; L561-Y567 HydrophobicContact CD2-CE2 3.99Å; L561-Y567 HydrophobicContact CD2-CG 3.9Å; L561-W587 HydrophobicContact CB-CE3 4.43Å; L561-W587 HydrophobicContact CB-CH2 4.05Å; L561-W587 HydrophobicContact CB-CZ2 4.38Å; L561-W587 HydrophobicContact CB-CZ3 4.07Å; L561-W587 HydrophobicContact CD1-CB 4.47Å; L561-W587 HydrophobicContact CD1-CD2 3.52Å; L561-W587 HydrophobicContact CD1-CE3 3.91Å; L561-W587 HydrophobicContact CD1-CG 3.8Å; L561-W587 HydrophobicContact CD1-CH2 4.42Å; L561-W587 HydrophobicContact CD1-CZ2 4.11Å; L561-W587 HydrophobicContact CD1-CZ3 4.32Å; L561-L637 HydrophobicContact CD1-CD1 3.83Å; L561-L637 HydrophobicContact CG-CD1 4.18Å; L561-I638 PolarHBondContact N-O 3.28Å; L561-I638 VanDerWaalsContact N-O 3.08Å; L561-V639 CarbonylContact O-C 3.59Å; L561-V639 WeakPolarHBondContact O-CA 3.28Å; L561-L640 PolarHBondContact O-N 3.18Å
562L87.9Confident82.1Confident29 Ų2940.4 Ų40.415%0.15221%0.207CC..EExtended strand (participates in β ladder)trans-104.8130.1178.7-73.2166.9000112.3G564 D565 Y567 L640 R644L562-G564 VanDerWaalsContact C-N 3.29Å; L562-G564 PolarHBondContact O-N 3.18Å; L562-D565 HydrophobicContact CB-CB 4.15Å; L562-D565 VanDerWaalsContact CB-OD2 3.31Å; L562-D565 WeakPolarHBondContact CB-OD2 3.41Å; L562-D565 VanDerWaalsContact CD1-OD2 3.27Å; L562-D565 WeakPolarHBondContact CD1-OD2 3.46Å; L562-D565 PolarHBondContact O-N 2.7Å; L562-D565 VanDerWaalsContact O-N 3.09Å; L562-Y567 PolarHBondContact N-OH 3.18Å; L562-L640 WeakPolarHBondContact CA-O 3.28Å; L562-L640 HydrophobicContact CD2-CB 4.03Å; L562-R644 HydrophobicContact CD1-CG 3.82Å
563N88.1Confident82.3Confident6 Ų641.8 Ų41.83%0.03222%0.216CC..THydrogen-bonded Turntrans-70.1-16.1-174.763.47.7000115.9G589 S590 R591 S592 E622 V639 L640 D641 G642N563-G589 CarbonylContact O-C 3.51Å; N563-G589 VanDerWaalsContact O-CA 3.22Å; N563-G589 WeakPolarHBondContact O-CA 3.39Å; N563-S590 PolarHBondContact O-N 3.42Å; N563-R591 CarbonylContact O-C 3.39Å; N563-R591 WeakPolarHBondContact O-CA 3.36Å; N563-R591 PolarHBondContact O-N 3.12Å; N563-S592 PolarHBondContact O-N 2.64Å; N563-E622 WeakPolarHBondContact CB-OE2 3.34Å; N563-V639 HydrophobicContact CB-CG1 3.92Å; N563-L640 PolarHBondContact N-O 2.89Å; N563-L640 PolarHBondContact OD1-O 2.71Å; N563-D641 PolarHBondContact ND2-OD1 2.77Å; N563-G642 PolarHBondContact OD1-N 2.87Å; N563-G642 VanDerWaalsContact OD1-N 3.08Å
564G85Confident82.7Confident6 Ų639.3 Ų39.36%0.06221%0.207CC..THydrogen-bonded Turntrans-90.23.1171.600000114.9L562 G642L562-G564 VanDerWaalsContact C-N 3.29Å; L562-G564 PolarHBondContact O-N 3.18Å; G564-G642 VanDerWaalsContact CA-O 3.31Å; G564-G642 WeakPolarHBondContact CA-O 3.46Å; G564-G642 PolarHBondContact N-O 3.12Å
565D87.9Confident83.3Confident0 Ų035.5 Ų35.50%019%0.187CC..  trans-117.9174.1-176.7-66.6-37.7000112.5L562 Y567 G589 K596 A643 R644L562-D565 HydrophobicContact CB-CB 4.15Å; L562-D565 VanDerWaalsContact CB-OD2 3.31Å; L562-D565 WeakPolarHBondContact CB-OD2 3.41Å; L562-D565 VanDerWaalsContact CD1-OD2 3.27Å; L562-D565 WeakPolarHBondContact CD1-OD2 3.46Å; L562-D565 PolarHBondContact O-N 2.7Å; L562-D565 VanDerWaalsContact O-N 3.09Å; D565-Y567 HydrophobicContact CB-CE2 3.84Å; D565-G589 PolarHBondContact O-N 3.32Å; D565-G589 VanDerWaalsContact O-N 3.12Å; D565-K596 IonicContact OD1-NZ 3.92Å; D565-K596 PolarHBondContact OD1-NZ 3.37Å; D565-A643 WeakPolarHBondContact OD2-CA 3.29Å; D565-R644 VanDerWaalsContact CG-N 3.34Å; D565-R644 PolarHBondContact OD1-N 3.34Å; D565-R644 VanDerWaalsContact OD1-N 3.12Å; D565-R644 PolarHBondContact OD2-N 2.87Å
566C91.9Very high84.2Confident0 Ų036.5 Ų36.50%019%0.193CC..EExtended strand (participates in β ladder)trans-133.9150.6169.1-51.60000109.2L544 W587 S592 A600L544-C566 WeakPolarHBondContact CB-O 3.35Å; L544-C566 HydrophobicContact CD1-CB 4.13Å; L544-C566 WeakPolarHBondContact CG-O 3.43Å; L544-C566 PolarHBondContact N-O 3.31Å; C566-W587 CarbonylContact C-O 3.45Å; C566-W587 VanDerWaalsContact CA-O 3.23Å; C566-W587 WeakPolarHBondContact CA-O 3.2Å; C566-W587 WeakPolarHBondContact CB-O 3.25Å; C566-S592 VanDerWaalsContact SG-CB 3.56Å; C566-A600 HydrophobicContact CB-CB 3.74Å
567Y93.1Very high85.2Confident4 Ų439.3 Ų39.32%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-129.1154.9-173.8-64-98.6000111.1M541 W542 E543 L561 L562 D565 Y586 W587M541-Y567 HydrophobicContact CG-CD1 4.36Å; M541-Y567 HydrophobicContact SD-CD1 4.26Å; W542-Y567 CarbonylContact O-C 3.57Å; W542-Y567 WeakPolarHBondContact O-CA 3.27Å; E543-Y567 HydrophobicContact CB-CD1 3.82Å; E543-Y567 HydrophobicContact CB-CE1 3.56Å; E543-Y567 HydrophobicContact CG-CD1 4.11Å; E543-Y567 HydrophobicContact CG-CE1 3.45Å; E543-Y567 VanDerWaalsContact CG-CE1 3.45Å; E543-Y567 WeakPolarHBondContact OE1-CE1 3.37Å; E543-Y567 PolarHBondContact OE1-OH 3.04Å; L561-Y567 HydrophobicContact CB-CD2 4.38Å; L561-Y567 HydrophobicContact CB-CE2 3.99Å; L561-Y567 HydrophobicContact CD2-CD1 3.98Å; L561-Y567 HydrophobicContact CD2-CD2 3.88Å; L561-Y567 HydrophobicContact CD2-CE1 4.08Å; L561-Y567 HydrophobicContact CD2-CE2 3.99Å; L561-Y567 HydrophobicContact CD2-CG 3.9Å; L562-Y567 PolarHBondContact N-OH 3.18Å; D565-Y567 HydrophobicContact CB-CE2 3.84Å; Y567-Y586 CarbonylContact O-C 3.59Å; Y567-Y586 WeakPolarHBondContact O-CA 3.49Å; Y567-W587 AromaticContact CD2-CE3 3.8Å; Y567-W587 HydrophobicContact CD2-CE3 3.8Å; Y567-W587 HydrophobicContact CD2-CZ3 4.17Å; Y567-W587 HydrophobicContact CE2-CE3 4.36Å; Y567-W587 HydrophobicContact CE2-CZ3 4.26Å; Y567-W587 PolarHBondContact N-O 2.87Å; Y567-W587 PolarHBondContact O-N 2.81Å
568V93.1Very high86Confident2 Ų245.6 Ų45.61%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-118.1133169.4-179.80000108M541 W542 H603 A604 L607M541-V568 CarbonylContact C-O 3.58Å; M541-V568 WeakPolarHBondContact CA-O 3.34Å; W542-V568 PolarHBondContact N-O 2.92Å; W542-V568 PolarHBondContact O-N 2.99Å; V568-H603 HydrophobicContact CG2-CB 4.26Å; V568-A604 HydrophobicContact CG1-CB 4.17Å; V568-A604 HydrophobicContact CG2-CB 4.45Å; V568-L607 HydrophobicContact CG1-CD2 4.07Å
569I92.7Very high87Confident0 Ų044.1 Ų44.10%023%0.232CC..EExtended strand (participates in β ladder)trans-130.6135.4-174.8-52.683.3000109.4V539 Q540 M541 I584 Y585 W587 F629 L632V539-I569 HydrophobicContact CG1-CG2 3.64Å; Q540-I569 WeakPolarHBondContact O-CA 3.24Å; M541-I569 HydrophobicContact CB-CG1 4.49Å; M541-I569 HydrophobicContact CG-CG1 4.04Å; M541-I569 HydrophobicContact SD-CG1 4.05Å; I569-I584 WeakPolarHBondContact O-CA 3.38Å; I569-Y585 PolarHBondContact N-O 3.25Å; I569-Y585 PolarHBondContact O-N 3.14Å; I569-W587 HydrophobicContact CD1-CB 4.17Å; I569-F629 HydrophobicContact CB-CE2 4.35Å; I569-F629 HydrophobicContact CD1-CE2 3.8Å; I569-F629 HydrophobicContact CD1-CZ 4Å; I569-F629 HydrophobicContact CG1-CE2 4.03Å; I569-F629 HydrophobicContact CG1-CZ 4.43Å; I569-L632 HydrophobicContact CG2-CD1 4.23Å
570L93.4Very high87.7Confident0 Ų047.7 Ų47.70%025%0.248CC..EExtended strand (participates in β ladder)trans-118.3129.4176174.565.9000109.5T533 V539 Q540 W542 W582 I584 L607 L611T533-L570 HydrophobicContact CG2-CD2 3.99Å; V539-L570 CarbonylContact C-O 3.59Å; V539-L570 VanDerWaalsContact CA-O 3.28Å; V539-L570 WeakPolarHBondContact CA-O 3.49Å; Q540-L570 HydrophobicContact CB-CB 4.42Å; Q540-L570 PolarHBondContact N-O 2.96Å; Q540-L570 PolarHBondContact O-N 2.97Å; W542-L570 HydrophobicContact CH2-CB 4.2Å; W542-L570 HydrophobicContact CH2-CD2 4.19Å; W542-L570 HydrophobicContact CZ3-CB 3.79Å; L570-W582 HydrophobicContact CD1-CB 4Å; L570-W582 HydrophobicContact CD1-CG 4.35Å; L570-I584 HydrophobicContact CD1-CG1 3.71Å; L570-L607 HydrophobicContact CB-CD2 4.15Å; L570-L611 HydrophobicContact CD1-CD1 3.69Å; L570-L611 HydrophobicContact CD2-CD1 3.86Å; L570-L611 HydrophobicContact CG-CD1 4.47Å
571Q92.5Very high87.9Confident51 Ų5148.7 Ų48.724%0.23825%0.253CS..EExtended strand (participates in β ladder)trans-109.6130.1168-177.3-173.623.200109V539 T573 W582 T583 L632V539-Q571 HydrophobicContact CG2-CG 4.47Å; Q571-T573 HydrophobicContact CG-CG2 4.4Å; Q571-W582 WeakPolarHBondContact O-CA 3.4Å; Q571-T583 PolarHBondContact N-O 2.79Å; Q571-T583 PolarHBondContact O-N 3.12Å; Q571-L632 HydrophobicContact CB-CD2 4.15Å; Q571-L632 HydrophobicContact CG-CD2 3.93Å
572T92Very high88.1Confident4 Ų451.8 Ų51.83%0.02527%0.265CS..EExtended strand (participates in β ladder)trans-115.6121176.8-55.20000109.9G534 H536 P537 G538 F580 E581G534-T572 WeakPolarHBondContact O-CG2 3.37Å; H536-T572 VanDerWaalsContact O-CB 3.31Å; H536-T572 WeakPolarHBondContact O-CB 3.43Å; H536-T572 WeakPolarHBondContact O-CG2 3.23Å; P537-T572 WeakPolarHBondContact CA-O 3.34Å; G538-T572 PolarHBondContact N-O 2.98Å; G538-T572 VanDerWaalsContact N-O 3.1Å; G538-T572 PolarHBondContact O-N 2.91Å; T572-F580 HydrophobicContact CG2-CD1 3.8Å; T572-F580 HydrophobicContact CG2-CE1 4.45Å; T572-E581 WeakPolarHBondContact CA-O 3.19Å
573T89.9Confident88.4Confident52 Ų5252.2 Ų52.232%0.31927%0.268SS..EExtended strand (participates in β ladder)trans-119.4159.9177.246.10000111.4Q571 F580 E581Q571-T573 HydrophobicContact CG-CG2 4.4Å; T573-F580 CarbonylContact O-C 3.29Å; T573-F580 WeakPolarHBondContact O-CA 3.28Å; T573-E581 PolarHBondContact N-O 3.38Å; T573-E581 PolarHBondContact O-N 2.64Å; T573-E581 PolarHBondContact OG1-O 2.57Å
574I87.7Confident88.7Confident92 Ų9251.9 Ų51.947%0.47227%0.267SS..EExtended strand (participates in β ladder)trans-108.2121.4172.2-67.9173000108.6P537 F580P537-I574 HydrophobicContact CG-CD1 3.49Å; P537-I574 VanDerWaalsContact CG-CD1 3.49Å; P537-I574 HydrophobicContact CG-CG1 3.89Å; I574-F580 HydrophobicContact CD1-CD1 4.46Å; I574-F580 HydrophobicContact CD1-CE1 3.84Å; I574-F580 HydrophobicContact CD1-CZ 4.44Å; I574-F580 HydrophobicContact CG1-CD1 3.71Å; I574-F580 HydrophobicContact CG1-CE1 3.6Å; I574-F580 HydrophobicContact CG1-CZ 4.5Å
575S81.9Confident89.2Confident19 Ų1951.8 Ų51.813%0.13326%0.264CS..  trans-67.9162.517366.20000112.2N577 Q578 V579 E581S575-N577 PolarHBondContact O-N 3.43Å; S575-N577 PolarHBondContact OG-N 3.25Å; S575-Q578 PolarHBondContact O-N 3.14Å; S575-V579 WeakPolarHBondContact CB-O 3.26Å; S575-V579 PolarHBondContact N-O 3.25Å; S575-V579 PolarHBondContact OG-N 2.89Å; S575-V579 VanDerWaalsContact OG-N 3.12Å; S575-V579 PolarHBondContact OG-O 3.31Å; S575-E581 WeakPolarHBondContact CB-OE1 3.46Å
576N81.4Confident89.6Confident172 Ų17253.5 Ų53.592%0.9227%0.271SS*.THydrogen-bonded Turntrans-55.4-18.2173.2-70.7-32.3000113.9
577N82.5Confident89.7Confident140 Ų14053.5 Ų53.575%0.74927%0.271SS*.THydrogen-bonded Turntrans-93.89179.2-65.2-17.9000113.4S575 V579S575-N577 PolarHBondContact O-N 3.43Å; S575-N577 PolarHBondContact OG-N 3.25Å; N577-V579 HydrophobicContact CB-CG2 4.29Å; N577-V579 PolarHBondContact O-N 3.08Å
578Q79.7Confident89.8Confident173 Ų17353.8 Ų53.881%0.80827%0.273SS*.SBendtrans61.519.4-172.6-57.9-173-15.200115S575S575-Q578 PolarHBondContact O-N 3.14Å
579V83.4Confident89.7Confident90 Ų9053.7 Ų53.755%0.54527%0.272SS..  trans-91.7135.8171.1-1750000109S575 N577S575-V579 WeakPolarHBondContact CB-O 3.26Å; S575-V579 PolarHBondContact N-O 3.25Å; S575-V579 PolarHBondContact OG-N 2.89Å; S575-V579 VanDerWaalsContact OG-N 3.12Å; S575-V579 PolarHBondContact OG-O 3.31Å; N577-V579 HydrophobicContact CB-CG2 4.29Å; N577-V579 PolarHBondContact O-N 3.08Å
580F84.8Confident89.5Confident76 Ų7657.5 Ų57.533%0.33330%0.299SS..EExtended strand (participates in β ladder)trans-70.2140172.9-68.3-74.4000111.5I535 P537 T572 T573 I574 W582I535-F580 WeakPolarHBondContact O-CE1 3.02Å; I535-F580 WeakPolarHBondContact O-CZ 3.37Å; P537-F580 HydrophobicContact CG-CE1 4.17Å; T572-F580 HydrophobicContact CG2-CD1 3.8Å; T572-F580 HydrophobicContact CG2-CE1 4.45Å; T573-F580 CarbonylContact O-C 3.29Å; T573-F580 WeakPolarHBondContact O-CA 3.28Å; I574-F580 HydrophobicContact CD1-CD1 4.46Å; I574-F580 HydrophobicContact CD1-CE1 3.84Å; I574-F580 HydrophobicContact CD1-CZ 4.44Å; I574-F580 HydrophobicContact CG1-CD1 3.71Å; I574-F580 HydrophobicContact CG1-CE1 3.6Å; I574-F580 HydrophobicContact CG1-CZ 4.5Å; F580-W582 HydrophobicContact CB-CZ2 4.07Å
581E88.6Confident89.1Confident105 Ų10564.5 Ų64.549%0.49133%0.326SS..EExtended strand (participates in β ladder)trans-123.3137.4175.4-68.7172.9164.700108.5T572 T573 S575T572-E581 WeakPolarHBondContact CA-O 3.19Å; T573-E581 PolarHBondContact N-O 3.38Å; T573-E581 PolarHBondContact O-N 2.64Å; T573-E581 PolarHBondContact OG1-O 2.57Å; S575-E581 WeakPolarHBondContact CB-OE1 3.46Å
582W93.1Very high88.7Confident67 Ų6762.7 Ų62.725%0.25432%0.318SS..EExtended strand (participates in β ladder)trans-121.2132.4-175.7-58.3-70.8000111.6G534 L570 Q571 F580 L611 A613 C615G534-W582 PolarHBondContact O-NE1 3Å; L570-W582 HydrophobicContact CD1-CB 4Å; L570-W582 HydrophobicContact CD1-CG 4.35Å; Q571-W582 WeakPolarHBondContact O-CA 3.4Å; F580-W582 HydrophobicContact CB-CZ2 4.07Å; W582-L611 HydrophobicContact CB-CD1 4.45Å; W582-L611 HydrophobicContact CD2-CB 4.49Å; W582-L611 HydrophobicContact CD2-CD1 4.42Å; W582-L611 HydrophobicContact CG-CD1 4.09Å; W582-A613 HydrophobicContact CB-CB 4.31Å; W582-A613 HydrophobicContact CD2-CB 4.5Å; W582-A613 HydrophobicContact CE3-CB 3.78Å; W582-C615 WeakPolarHBondContact O-CB 3.48Å; W582-C615 PolarHBondContact O-SG 3.02Å
583T93.8Very high88Confident37 Ų3763.3 Ų63.323%0.22732%0.322CS..EExtended strand (participates in β ladder)trans-118.4127.6169.1-55.30000109.6Q571 Y585 K618Q571-T583 PolarHBondContact N-O 2.79Å; Q571-T583 PolarHBondContact O-N 3.12Å; T583-Y585 HydrophobicContact CG2-CD2 4.19Å; T583-Y585 HydrophobicContact CG2-CE2 3.46Å; T583-Y585 VanDerWaalsContact CG2-CE2 3.46Å; T583-K618 HydrophobicContact CG2-CD 3.98Å
584I95Very high87.4Confident0 Ų068.7 Ų68.70%034%0.341CS..EExtended strand (participates in β ladder)trans-114.8128.8-176.2-60.3164.3000109.3I569 L570 A604 L607 R608 L611 T617 K618I569-I584 WeakPolarHBondContact O-CA 3.38Å; L570-I584 HydrophobicContact CD1-CG1 3.71Å; I584-A604 HydrophobicContact CG2-CB 4.1Å; I584-L607 HydrophobicContact CD1-CG 4.11Å; I584-L607 HydrophobicContact CG1-CD2 4.45Å; I584-L607 HydrophobicContact CG2-CD2 4.32Å; I584-R608 VanDerWaalsContact CD1-CA 3.5Å; I584-R608 HydrophobicContact CD1-CB 3.64Å; I584-R608 HydrophobicContact CD1-CG 4.21Å; I584-L611 HydrophobicContact CD1-CD1 4.47Å; I584-T617 HydrophobicContact CB-CG2 4.32Å; I584-T617 HydrophobicContact CG2-CG2 4Å; I584-T617 CarbonylContact O-C 3.57Å; I584-T617 WeakPolarHBondContact O-CA 3.03Å; I584-K618 PolarHBondContact O-N 3.37Å
585Y95.4Very high86.8Confident3 Ų367.3 Ų67.31%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-118.1154.2176.6-55-104.2000109.9I569 T583 K618 E620 F629 L632I569-Y585 PolarHBondContact N-O 3.25Å; I569-Y585 PolarHBondContact O-N 3.14Å; T583-Y585 HydrophobicContact CG2-CD2 4.19Å; T583-Y585 HydrophobicContact CG2-CE2 3.46Å; T583-Y585 VanDerWaalsContact CG2-CE2 3.46Å; Y585-K618 CarbonylContact C-O 3.57Å; Y585-K618 WeakPolarHBondContact CA-O 3.49Å; Y585-K618 HydrophobicContact CD1-CB 3.72Å; Y585-K618 HydrophobicContact CD1-CD 3.59Å; Y585-K618 HydrophobicContact CD1-CG 4.31Å; Y585-K618 HydrophobicContact CE1-CB 4.23Å; Y585-K618 HydrophobicContact CE1-CD 3.2Å; Y585-K618 HydrophobicContact CE1-CG 4.36Å; Y585-K618 HydrophobicContact CG-CB 4.31Å; Y585-K618 HydrophobicContact CG-CD 4.42Å; Y585-K618 PolarHBondContact OH-NZ 2.9Å; Y585-E620 HydrophobicContact CD1-CG 3.8Å; Y585-E620 VanDerWaalsContact CD1-OE1 3.27Å; Y585-E620 WeakPolarHBondContact CD1-OE1 3.49Å; Y585-E620 WeakPolarHBondContact CE1-OE1 3.38Å; Y585-F629 HydrophobicContact CD1-CB 4.14Å; Y585-F629 AromaticContact CD1-CD2 3.58Å; Y585-F629 HydrophobicContact CD1-CD2 3.58Å; Y585-F629 HydrophobicContact CD1-CE2 4.42Å; Y585-F629 HydrophobicContact CD1-CG 4.26Å; Y585-F629 HydrophobicContact CD2-CD2 4.32Å; Y585-F629 HydrophobicContact CE1-CB 3.9Å; Y585-F629 HydrophobicContact CE1-CD2 4.02Å; Y585-F629 HydrophobicContact CE1-CG 4.45Å; Y585-F629 AromaticContact CG-CD2 3.75Å; Y585-F629 HydrophobicContact CG-CD2 3.75Å; Y585-F629 HydrophobicContact CG-CE2 4.24Å; Y585-L632 HydrophobicContact CD2-CD1 4.07Å; Y585-L632 HydrophobicContact CE2-CD1 3.78Å
586Y95.3Very high86.8Confident36 Ų3666.6 Ų66.614%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-131.6132.4158.764.1-80.6000109.9Y567 I588 A600 A601 A604 K618 R619 E620Y567-Y586 CarbonylContact O-C 3.59Å; Y567-Y586 WeakPolarHBondContact O-CA 3.49Å; Y586-I588 HydrophobicContact CD2-CD1 4.22Å; Y586-I588 HydrophobicContact CD2-CG1 4.39Å; Y586-I588 HydrophobicContact CE2-CD1 4Å; Y586-A600 HydrophobicContact CD2-CB 4.15Å; Y586-A601 HydrophobicContact CE2-CB 3.98Å; Y586-A604 HydrophobicContact CD1-CB 3.95Å; Y586-A604 HydrophobicContact CG-CB 4.35Å; Y586-K618 WeakPolarHBondContact CD1-O 3.32Å; Y586-K618 WeakPolarHBondContact CE1-O 3.45Å; Y586-K618 PolarHBondContact N-O 3.18Å; Y586-R619 HydrophobicContact CD2-CG 4.49Å; Y586-R619 HydrophobicContact CE1-CB 4.01Å; Y586-R619 HydrophobicContact CE2-CB 4.02Å; Y586-R619 HydrophobicContact CE2-CG 3.78Å; Y586-E620 PolarHBondContact O-N 2.84Å
587W95.4Very high87.2Confident0 Ų061.1 Ų61.10%030%0.298CS..EExtended strand (participates in β ladder)trans-107.9139.4-175.8-176.396.5000110.9L561 C566 Y567 I569 G589 E620 E622 E625 F629 V639L561-W587 HydrophobicContact CB-CE3 4.43Å; L561-W587 HydrophobicContact CB-CH2 4.05Å; L561-W587 HydrophobicContact CB-CZ2 4.38Å; L561-W587 HydrophobicContact CB-CZ3 4.07Å; L561-W587 HydrophobicContact CD1-CB 4.47Å; L561-W587 HydrophobicContact CD1-CD2 3.52Å; L561-W587 HydrophobicContact CD1-CE3 3.91Å; L561-W587 HydrophobicContact CD1-CG 3.8Å; L561-W587 HydrophobicContact CD1-CH2 4.42Å; L561-W587 HydrophobicContact CD1-CZ2 4.11Å; L561-W587 HydrophobicContact CD1-CZ3 4.32Å; C566-W587 CarbonylContact C-O 3.45Å; C566-W587 VanDerWaalsContact CA-O 3.23Å; C566-W587 WeakPolarHBondContact CA-O 3.2Å; C566-W587 WeakPolarHBondContact CB-O 3.25Å; Y567-W587 AromaticContact CD2-CE3 3.8Å; Y567-W587 HydrophobicContact CD2-CE3 3.8Å; Y567-W587 HydrophobicContact CD2-CZ3 4.17Å; Y567-W587 HydrophobicContact CE2-CE3 4.36Å; Y567-W587 HydrophobicContact CE2-CZ3 4.26Å; Y567-W587 PolarHBondContact N-O 2.87Å; Y567-W587 PolarHBondContact O-N 2.81Å; I569-W587 HydrophobicContact CD1-CB 4.17Å; W587-G589 VanDerWaalsContact CH2-CA 3.49Å; W587-G589 VanDerWaalsContact CZ3-CA 3.4Å; W587-G589 VanDerWaalsContact CZ3-N 3.26Å; W587-E620 CarbonylContact C-O 3.52Å; W587-E620 VanDerWaalsContact CA-O 3.29Å; W587-E620 WeakPolarHBondContact CA-O 3.44Å; W587-E620 HydrophobicContact CB-CB 4.39Å; W587-E620 HydrophobicContact CG-CB 4.48Å; W587-E622 HydrophobicContact CH2-CB 4.17Å; W587-E622 HydrophobicContact CZ2-CB 3.66Å; W587-E622 HydrophobicContact CZ2-CG 4.12Å; W587-E625 PolarHBondContact NE1-OE1 2.79Å; W587-F629 HydrophobicContact CB-CZ 4.1Å; W587-F629 AromaticContact CD1-CE1 3.63Å; W587-F629 AromaticContact CD1-CZ 3.95Å; W587-F629 HydrophobicContact CG-CE1 4.37Å; W587-F629 HydrophobicContact CG-CZ 4.28Å; W587-V639 HydrophobicContact CH2-CG1 3.85Å; W587-V639 HydrophobicContact CH2-CG2 4.23Å; W587-V639 HydrophobicContact CZ2-CG1 4.13Å; W587-V639 HydrophobicContact CZ2-CG2 3.71Å
588I94.2Very high87.2Confident10 Ų1058.4 Ų58.45%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-121.9121.1-176.4-69.9172.6000110.6Y586 Q597 R619 E620 E621 E622Y586-I588 HydrophobicContact CD2-CD1 4.22Å; Y586-I588 HydrophobicContact CD2-CG1 4.39Å; Y586-I588 HydrophobicContact CE2-CD1 4Å; I588-Q597 HydrophobicContact CD1-CB 4.33Å; I588-Q597 HydrophobicContact CD1-CG 4.29Å; I588-Q597 HydrophobicContact CG1-CG 4.39Å; I588-Q597 HydrophobicContact CG2-CG 3.82Å; I588-R619 HydrophobicContact CD1-CG 4.44Å; I588-E620 PolarHBondContact N-O 2.9Å; I588-E621 WeakPolarHBondContact CD1-OE1 3.31Å; I588-E621 WeakPolarHBondContact O-CA 2.84Å; I588-E622 PolarHBondContact O-N 2.92Å
589G91.2Very high87.5Confident0 Ų050.7 Ų50.70%025%0.252CS..  trans-79.4148.5172.800000113.4N563 D565 W587 R591 S592N563-G589 CarbonylContact O-C 3.51Å; N563-G589 VanDerWaalsContact O-CA 3.22Å; N563-G589 WeakPolarHBondContact O-CA 3.39Å; D565-G589 PolarHBondContact O-N 3.32Å; D565-G589 VanDerWaalsContact O-N 3.12Å; W587-G589 VanDerWaalsContact CH2-CA 3.49Å; W587-G589 VanDerWaalsContact CZ3-CA 3.4Å; W587-G589 VanDerWaalsContact CZ3-N 3.26Å; G589-R591 VanDerWaalsContact C-N 3.25Å; G589-R591 PolarHBondContact O-N 2.81Å; G589-S592 VanDerWaalsContact O-CB 3.23Å; G589-S592 WeakPolarHBondContact O-CB 3.35Å; G589-S592 PolarHBondContact O-N 2.82Å; G589-S592 VanDerWaalsContact O-N 3.07Å; G589-S592 PolarHBondContact O-OG 2.84Å
590S89.6Confident87.8Confident81 Ų8146.4 Ų46.457%0.56623%0.226SC*.THydrogen-bonded Turntrans-61.8-23.5-175.460.30000115.2N563 E622N563-S590 PolarHBondContact O-N 3.42Å; S590-E622 WeakPolarHBondContact CB-OE2 3.49Å; S590-E622 PolarHBondContact N-OE2 2.8Å; S590-E622 VanDerWaalsContact OG-CD 3.24Å; S590-E622 PolarHBondContact OG-OE1 2.9Å; S590-E622 PolarHBondContact OG-OE2 2.75Å
591R84.5Confident88.1Confident147 Ų14744.2 Ų44.256%0.55522%0.222SC*.THydrogen-bonded Turntrans-105.94.7177.8-56-172-172.2165.112113.1N563 G589 D641N563-R591 CarbonylContact O-C 3.39Å; N563-R591 WeakPolarHBondContact O-CA 3.36Å; N563-R591 PolarHBondContact O-N 3.12Å; G589-R591 VanDerWaalsContact C-N 3.25Å; G589-R591 PolarHBondContact O-N 2.81Å; R591-D641 VanDerWaalsContact CZ-CG 3.5Å; R591-D641 IonicContact CZ-OD1 2.92Å; R591-D641 IonicContact CZ-OD2 3.51Å; R591-D641 IonicContact NE-OD1 3.93Å; R591-D641 IonicContact NH1-OD1 2.73Å; R591-D641 PolarHBondContact NH1-OD1 3.47Å; R591-D641 IonicContact NH1-OD2 2.71Å; R591-D641 PolarHBondContact NH1-OD2 3.32Å; R591-D641 IonicContact NH2-OD1 3.24Å; R591-D641 PolarHBondContact NH2-OD1 3.27Å; R591-D641 IonicContact NH2-OD2 3.45Å; R591-D641 PolarHBondContact NH2-OD2 2.77Å
592S83.8Confident88Confident12 Ų1243.2 Ų43.28%0.08422%0.219CC..  trans-65.8148.5179.865.50000112.3N563 C566 G589 Q597N563-S592 PolarHBondContact O-N 2.64Å; C566-S592 VanDerWaalsContact SG-CB 3.56Å; G589-S592 VanDerWaalsContact O-CB 3.23Å; G589-S592 WeakPolarHBondContact O-CB 3.35Å; G589-S592 PolarHBondContact O-N 2.82Å; G589-S592 VanDerWaalsContact O-N 3.07Å; G589-S592 PolarHBondContact O-OG 2.84Å; S592-Q597 PolarHBondContact O-NE2 2.6Å; S592-Q597 VanDerWaalsContact O-NE2 3.15Å; S592-Q597 WeakPolarHBondContact OG-CG 3.37Å; S592-Q597 PolarHBondContact OG-NE2 2.69Å
593T76.9Confident87.9Confident17 Ų1740.8 Ų40.810%0.10421%0.211CC..  trans-79152.5178.393.20000111.2D595 K596 Q597 T647 H651T593-D595 PolarHBondContact O-N 3.18Å; T593-D595 VanDerWaalsContact O-N 3.11Å; T593-D595 PolarHBondContact OG1-N 3.38Å; T593-K596 PolarHBondContact O-N 2.83Å; T593-K596 PolarHBondContact OG1-N 2.97Å; T593-Q597 WeakPolarHBondContact O-CG 3.4Å; T593-Q597 PolarHBondContact O-N 2.87Å; T593-T647 HydrophobicContact CG2-CG2 3.74Å; T593-T647 WeakPolarHBondContact OG1-CG2 3.41Å; T593-H651 WeakPolarHBondContact CG2-NE2 3.49Å
594K77.1Confident87.8Confident165 Ų16539 Ų3972%0.71720%0.2SC*.Hα-helixtrans-54.5-31.5174.8-70.6-176.2176.9178.60113T598K594-T598 WeakPolarHBondContact O-CB 3.29Å; K594-T598 PolarHBondContact O-N 3.47Å; K594-T598 PolarHBondContact O-OG1 3.37Å
595D74.7Confident87.6Confident63 Ų6341.8 Ų41.834%0.33722%0.216SC..Hα-helixtrans-71.3-42.8177.1-46.4-66.6000111.5F547 T593 T598 C599F547-D595 HydrophobicContact CE1-CB 3.45Å; F547-D595 VanDerWaalsContact CE1-CB 3.45Å; F547-D595 HydrophobicContact CZ-CB 3.73Å; T593-D595 PolarHBondContact O-N 3.18Å; T593-D595 VanDerWaalsContact O-N 3.11Å; T593-D595 PolarHBondContact OG1-N 3.38Å; D595-T598 PolarHBondContact O-N 3.04Å; D595-C599 VanDerWaalsContact O-CB 3.22Å; D595-C599 WeakPolarHBondContact O-CB 3.5Å; D595-C599 PolarHBondContact O-N 3.3Å
596K83.4Confident87.2Confident4 Ų443.3 Ų43.32%0.01723%0.225CC..Hα-helixtrans-62.9-44.3173.4-78.5-172.2175.3177.50111.4D565 T593 T598 C599 A600 R644 G645 T647D565-K596 IonicContact OD1-NZ 3.92Å; D565-K596 PolarHBondContact OD1-NZ 3.37Å; T593-K596 PolarHBondContact O-N 2.83Å; T593-K596 PolarHBondContact OG1-N 2.97Å; K596-T598 PolarHBondContact O-N 3.14Å; K596-C599 WeakPolarHBondContact O-CB 3.46Å; K596-C599 PolarHBondContact O-N 3.05Å; K596-A600 PolarHBondContact O-N 3Å; K596-R644 PolarHBondContact NZ-O 3.42Å; K596-G645 PolarHBondContact NZ-O 3.17Å; K596-T647 HydrophobicContact CD-CG2 4.22Å; K596-T647 HydrophobicContact CG-CG2 3.8Å
597Q88.9Confident87Confident57 Ų5741.6 Ų41.627%0.26622%0.218SC..Hα-helixtrans-57.3-49.1176-67.5167.44.700111.9I588 S592 T593 C599 A600 A601I588-Q597 HydrophobicContact CD1-CB 4.33Å; I588-Q597 HydrophobicContact CD1-CG 4.29Å; I588-Q597 HydrophobicContact CG1-CG 4.39Å; I588-Q597 HydrophobicContact CG2-CG 3.82Å; S592-Q597 PolarHBondContact O-NE2 2.6Å; S592-Q597 VanDerWaalsContact O-NE2 3.15Å; S592-Q597 WeakPolarHBondContact OG-CG 3.37Å; S592-Q597 PolarHBondContact OG-NE2 2.69Å; T593-Q597 WeakPolarHBondContact O-CG 3.4Å; T593-Q597 PolarHBondContact O-N 2.87Å; Q597-C599 VanDerWaalsContact C-N 3.29Å; Q597-C599 PolarHBondContact O-N 2.95Å; Q597-A600 PolarHBondContact O-N 2.88Å; Q597-A601 PolarHBondContact O-N 3.19Å
598T82.3Confident86.7Confident83 Ų8345.8 Ų45.851%0.50923%0.234SC..Hα-helixtrans-62.2-38.9177.6-56.80000111.4K594 D595 K596 I602K594-T598 WeakPolarHBondContact O-CB 3.29Å; K594-T598 PolarHBondContact O-N 3.47Å; K594-T598 PolarHBondContact O-OG1 3.37Å; D595-T598 PolarHBondContact O-N 3.04Å; K596-T598 PolarHBondContact O-N 3.14Å; T598-I602 HydrophobicContact CG2-CD1 4.06Å; T598-I602 WeakPolarHBondContact O-CD1 3.44Å; T598-I602 WeakPolarHBondContact O-CG1 3.47Å; T598-I602 PolarHBondContact O-N 3.15Å
599C86Confident86.4Confident12 Ų1249.2 Ų49.28%0.08125%0.252CS..Hα-helixtrans-65.1-40.7178.3-169.30000112.8L544 F547 D595 K596 Q597 I602 H603L544-C599 HydrophobicContact CD1-CB 4.07Å; F547-C599 HydrophobicContact CD1-CB 3.99Å; F547-C599 PolarHBondContact O-SG 3.19Å; D595-C599 VanDerWaalsContact O-CB 3.22Å; D595-C599 WeakPolarHBondContact O-CB 3.5Å; D595-C599 PolarHBondContact O-N 3.3Å; K596-C599 WeakPolarHBondContact O-CB 3.46Å; K596-C599 PolarHBondContact O-N 3.05Å; Q597-C599 VanDerWaalsContact C-N 3.29Å; Q597-C599 PolarHBondContact O-N 2.95Å; C599-I602 PolarHBondContact O-N 3.11Å; C599-H603 PolarHBondContact O-CD2 2.91Å; C599-H603 PolarHBondContact O-N 2.79Å; C599-H603 PolarHBondContact SG-CD2 3.3Å; C599-H603 PolarHBondContact SG-NE2 3.05Å
600A90Very high86.1Confident0 Ų052.7 Ų52.70%027%0.268CS..Hα-helixtrans-60.3-48.2177.600000112.8L544 C566 Y586 K596 Q597 I602 H603 A604L544-A600 HydrophobicContact CD1-CB 3.72Å; C566-A600 HydrophobicContact CB-CB 3.74Å; Y586-A600 HydrophobicContact CD2-CB 4.15Å; K596-A600 PolarHBondContact O-N 3Å; Q597-A600 PolarHBondContact O-N 2.88Å; A600-I602 VanDerWaalsContact C-N 3.31Å; A600-I602 PolarHBondContact O-N 3.46Å; A600-H603 PolarHBondContact O-N 3.27Å; A600-A604 WeakPolarHBondContact O-CB 3.4Å; A600-A604 PolarHBondContact O-N 3.27Å
601A90.8Very high86Confident30 Ų3050.1 Ų50.125%0.24825%0.247CC..Hα-helixtrans-61.4-38.5177.300000112.3Y586 Q597 V605Y586-A601 HydrophobicContact CE2-CB 3.98Å; Q597-A601 PolarHBondContact O-N 3.19Å; A601-V605 WeakPolarHBondContact O-CG2 3.45Å; A601-V605 PolarHBondContact O-N 3.16Å
602I86.6Confident86Confident84 Ų8446 Ų4643%0.43125%0.25SS..Hα-helixtrans-64.3-48.4176.5-70.4167.1000111.1T598 C599 A600 V605 N606T598-I602 HydrophobicContact CG2-CD1 4.06Å; T598-I602 WeakPolarHBondContact O-CD1 3.44Å; T598-I602 WeakPolarHBondContact O-CG1 3.47Å; T598-I602 PolarHBondContact O-N 3.15Å; C599-I602 PolarHBondContact O-N 3.11Å; A600-I602 VanDerWaalsContact C-N 3.31Å; A600-I602 PolarHBondContact O-N 3.46Å; I602-V605 PolarHBondContact O-N 3.16Å; I602-N606 PolarHBondContact O-N 3.24Å; I602-N606 VanDerWaalsContact O-N 3.13Å; I602-N606 PolarHBondContact O-ND2 3.07Å
603H90.7Very high86Confident16 Ų1645.8 Ų45.87%0.07425%0.25CC..Hα-helixtrans-68.9-37.9-177-72.3-56000112.7Y525 F547 P549 V568 C599 A600 V605 N606 L607Y525-H603 AromaticContact CE1-ND1 3.79Å; F547-H603 PolarHBondContact O-NE2 3.44Å; P549-H603 HydrophobicContact CG-CB 3.86Å; P549-H603 VanDerWaalsContact CG-CD2 3.49Å; P549-H603 WeakPolarHBondContact CG-CD2 3.31Å; V568-H603 HydrophobicContact CG2-CB 4.26Å; C599-H603 PolarHBondContact O-CD2 2.91Å; C599-H603 PolarHBondContact O-N 2.79Å; C599-H603 PolarHBondContact SG-CD2 3.3Å; C599-H603 PolarHBondContact SG-NE2 3.05Å; A600-H603 PolarHBondContact O-N 3.27Å; H603-V605 VanDerWaalsContact C-N 3.34Å; H603-V605 PolarHBondContact O-N 3.13Å; H603-N606 PolarHBondContact O-N 3.18Å; H603-L607 PolarHBondContact O-N 3Å
604A92.7Very high86.2Confident0 Ų054.6 Ų54.60%029%0.29CS..Hα-helixtrans-60.8-40.5173.800000112.7V568 I584 Y586 A600 N606 L607 R608 T617V568-A604 HydrophobicContact CG1-CB 4.17Å; V568-A604 HydrophobicContact CG2-CB 4.45Å; I584-A604 HydrophobicContact CG2-CB 4.1Å; Y586-A604 HydrophobicContact CD1-CB 3.95Å; Y586-A604 HydrophobicContact CG-CB 4.35Å; A600-A604 WeakPolarHBondContact O-CB 3.4Å; A600-A604 PolarHBondContact O-N 3.27Å; A604-N606 VanDerWaalsContact C-N 3.34Å; A604-L607 PolarHBondContact O-N 2.94Å; A604-R608 PolarHBondContact O-N 3.35Å; A604-T617 HydrophobicContact CB-CG2 3.9Å; A604-T617 WeakPolarHBondContact O-CG2 3.34Å
605V90.2Very high86.4Confident57 Ų5748.4 Ų48.435%0.34527%0.266SS..Hα-helixtrans-65.6-37.3175.2168.60000111.6A601 I602 H603 R608 N609 T617A601-V605 WeakPolarHBondContact O-CG2 3.45Å; A601-V605 PolarHBondContact O-N 3.16Å; I602-V605 PolarHBondContact O-N 3.16Å; H603-V605 VanDerWaalsContact C-N 3.34Å; H603-V605 PolarHBondContact O-N 3.13Å; V605-R608 PolarHBondContact O-N 3.31Å; V605-N609 PolarHBondContact O-N 2.93Å; V605-N609 VanDerWaalsContact O-N 3.12Å; V605-N609 PolarHBondContact O-ND2 2.82Å; V605-N609 PolarHBondContact O-OD1 2.58Å; V605-T617 HydrophobicContact CG2-CG2 4.45Å
606N87.2Confident87.1Confident35 Ų3556.1 Ų56.119%0.18729%0.291CS..Hα-helixtrans-74.9-32.5178.6-69.1-51000113.2Y525 I602 H603 A604 N609 F610Y525-N606 HydrophobicContact CD1-CB 3.98Å; Y525-N606 HydrophobicContact CD2-CB 4.29Å; Y525-N606 HydrophobicContact CE1-CB 3.65Å; Y525-N606 HydrophobicContact CE2-CB 3.97Å; Y525-N606 HydrophobicContact CG-CB 4.3Å; Y525-N606 PolarHBondContact OH-ND2 3.1Å; I602-N606 PolarHBondContact O-N 3.24Å; I602-N606 VanDerWaalsContact O-N 3.13Å; I602-N606 PolarHBondContact O-ND2 3.07Å; H603-N606 PolarHBondContact O-N 3.18Å; A604-N606 VanDerWaalsContact C-N 3.34Å; N606-N609 PolarHBondContact O-N 2.83Å; N606-F610 WeakPolarHBondContact O-CB 3.4Å; N606-F610 PolarHBondContact O-N 3.03Å
607L90.1Very high87.5Confident0 Ų057.8 Ų57.80%030%0.301CS..Hα-helixtrans-60-44.5169.2178.654.2000111.6F529 T533 W542 V568 L570 I584 H603 A604 N609 F610 L611F529-L607 HydrophobicContact CD1-CD1 3.77Å; F529-L607 HydrophobicContact CD2-CD1 4.12Å; F529-L607 HydrophobicContact CE1-CB 4.13Å; F529-L607 HydrophobicContact CE1-CD1 3.91Å; F529-L607 HydrophobicContact CE1-CD2 4.33Å; F529-L607 HydrophobicContact CE1-CG 4.34Å; F529-L607 HydrophobicContact CE2-CB 3.85Å; F529-L607 HydrophobicContact CE2-CD1 4.25Å; F529-L607 HydrophobicContact CG-CD1 3.89Å; F529-L607 HydrophobicContact CZ-CB 3.64Å; F529-L607 HydrophobicContact CZ-CD1 4.16Å; F529-L607 HydrophobicContact CZ-CG 4.34Å; T533-L607 HydrophobicContact CG2-CD1 3.91Å; W542-L607 HydrophobicContact CE3-CD2 4.49Å; W542-L607 HydrophobicContact CH2-CD2 4.18Å; W542-L607 HydrophobicContact CZ3-CD2 3.91Å; V568-L607 HydrophobicContact CG1-CD2 4.07Å; L570-L607 HydrophobicContact CB-CD2 4.15Å; I584-L607 HydrophobicContact CD1-CG 4.11Å; I584-L607 HydrophobicContact CG1-CD2 4.45Å; I584-L607 HydrophobicContact CG2-CD2 4.32Å; H603-L607 PolarHBondContact O-N 3Å; A604-L607 PolarHBondContact O-N 2.94Å; L607-N609 VanDerWaalsContact C-N 3.3Å; L607-N609 PolarHBondContact O-N 3Å; L607-F610 WeakPolarHBondContact O-CB 3.16Å; L607-F610 PolarHBondContact O-N 2.84Å; L607-L611 HydrophobicContact CD1-CD1 3.94Å; L607-L611 HydrophobicContact CD1-CG 4.13Å; L607-L611 HydrophobicContact CG-CD1 4.22Å; L607-L611 PolarHBondContact O-N 2.72Å
608R90.5Very high87.8Confident88 Ų8857.8 Ų57.833%0.33230%0.301SS..Hα-helixtrans-58.6-43.2174-171.6-151.662.1175.10.2111.6I584 A604 V605 F610 G612 A613 C615I584-R608 VanDerWaalsContact CD1-CA 3.5Å; I584-R608 HydrophobicContact CD1-CB 3.64Å; I584-R608 HydrophobicContact CD1-CG 4.21Å; A604-R608 PolarHBondContact O-N 3.35Å; V605-R608 PolarHBondContact O-N 3.31Å; R608-F610 VanDerWaalsContact C-N 3.34Å; R608-G612 PolarHBondContact O-N 2.94Å; R608-G612 VanDerWaalsContact O-N 3.09Å; R608-A613 WeakPolarHBondContact CD-O 3.42Å; R608-A613 HydrophobicContact CG-CB 4.08Å; R608-A613 WeakPolarHBondContact CG-O 3.44Å; R608-A613 PolarHBondContact O-N 2.93Å; R608-A613 VanDerWaalsContact O-N 3.13Å; R608-C615 WeakPolarHBondContact CD-O 3.47Å
609N86.6Confident88.4Confident83 Ų8360.3 Ų60.344%0.44430%0.301SS..Hα-helixtrans-67.8-32.2178.7-61.5-23000112.6V605 N606 L607V605-N609 PolarHBondContact O-N 2.93Å; V605-N609 VanDerWaalsContact O-N 3.12Å; V605-N609 PolarHBondContact O-ND2 2.82Å; V605-N609 PolarHBondContact O-OD1 2.58Å; N606-N609 PolarHBondContact O-N 2.83Å; L607-N609 VanDerWaalsContact C-N 3.3Å; L607-N609 PolarHBondContact O-N 3Å
610F86.5Confident88.9Confident73 Ų7360.2 Ų60.232%0.3230%0.299SS..Hα-helixtrans-69.2-46.7176.2177.6-94.8000111.8T526 F529 N606 L607 R608 G612T526-F610 HydrophobicContact CG2-CE2 4.38Å; F529-F610 HydrophobicContact CB-CD1 3.75Å; F529-F610 HydrophobicContact CB-CD2 4.26Å; F529-F610 HydrophobicContact CB-CE1 3.59Å; F529-F610 HydrophobicContact CB-CE2 4.12Å; F529-F610 HydrophobicContact CB-CG 4.09Å; F529-F610 HydrophobicContact CB-CZ 3.78Å; F529-F610 HydrophobicContact CD2-CB 4.18Å; F529-F610 HydrophobicContact CD2-CD1 4.43Å; F529-F610 HydrophobicContact CD2-CG 4.14Å; F529-F610 HydrophobicContact CG-CD1 4.39Å; F529-F610 WeakPolarHBondContact O-CZ 3.48Å; N606-F610 WeakPolarHBondContact O-CB 3.4Å; N606-F610 PolarHBondContact O-N 3.03Å; L607-F610 WeakPolarHBondContact O-CB 3.16Å; L607-F610 PolarHBondContact O-N 2.84Å; R608-F610 VanDerWaalsContact C-N 3.34Å; F610-G612 VanDerWaalsContact C-N 3.28Å; F610-G612 PolarHBondContact O-N 3.46Å
611L86.5Confident89Confident26 Ų2663.2 Ų63.214%0.13631%0.313CS..Hα-helixtrans-74-14.5177.6-66.7172.6000114T533 L570 W582 I584 L607 A613T533-L611 HydrophobicContact CG2-CD2 4.42Å; T533-L611 WeakPolarHBondContact O-CD2 3.5Å; L570-L611 HydrophobicContact CD1-CD1 3.69Å; L570-L611 HydrophobicContact CD2-CD1 3.86Å; L570-L611 HydrophobicContact CG-CD1 4.47Å; W582-L611 HydrophobicContact CB-CD1 4.45Å; W582-L611 HydrophobicContact CD2-CB 4.49Å; W582-L611 HydrophobicContact CD2-CD1 4.42Å; W582-L611 HydrophobicContact CG-CD1 4.09Å; I584-L611 HydrophobicContact CD1-CD1 4.47Å; L607-L611 HydrophobicContact CD1-CD1 3.94Å; L607-L611 HydrophobicContact CD1-CG 4.13Å; L607-L611 HydrophobicContact CG-CD1 4.22Å; L607-L611 PolarHBondContact O-N 2.72Å; L611-A613 HydrophobicContact CB-CB 4.25Å; L611-A613 PolarHBondContact O-N 3.11Å
612G83.9Confident89Confident60 Ų6064.7 Ų64.762%0.61932%0.315SS*.THydrogen-bonded Turntrans67.321-170.900000113.8R608 F610R608-G612 PolarHBondContact O-N 2.94Å; R608-G612 VanDerWaalsContact O-N 3.09Å; F610-G612 VanDerWaalsContact C-N 3.28Å; F610-G612 PolarHBondContact O-N 3.46Å
613A84.4Confident89Confident9 Ų963.8 Ų63.87%0.07433%0.326CS..  trans-73132.8-171.600000112.7W582 R608 L611 C615W582-A613 HydrophobicContact CB-CB 4.31Å; W582-A613 HydrophobicContact CD2-CB 4.5Å; W582-A613 HydrophobicContact CE3-CB 3.78Å; R608-A613 WeakPolarHBondContact CD-O 3.42Å; R608-A613 HydrophobicContact CG-CB 4.08Å; R608-A613 WeakPolarHBondContact CG-O 3.44Å; R608-A613 PolarHBondContact O-N 2.93Å; R608-A613 VanDerWaalsContact O-N 3.13Å; L611-A613 HydrophobicContact CB-CB 4.25Å; L611-A613 PolarHBondContact O-N 3.11Å; A613-C615 PolarHBondContact O-N 3.17Å
614E80.8Confident89Confident202 Ų20269.7 Ų69.794%0.94436%0.358SS*.  trans-75.9-6.7178.2-59.9-166.3154.300113.8
615C82.7Confident88.9Confident34 Ų3471.7 Ų71.723%0.2337%0.367CS..SBendtrans-72.3165.1-175.771.10000113.6W582 R608 A613W582-C615 WeakPolarHBondContact O-CB 3.48Å; W582-C615 PolarHBondContact O-SG 3.02Å; R608-C615 WeakPolarHBondContact CD-O 3.47Å; A613-C615 PolarHBondContact O-N 3.17Å
616R87.7Confident88.9Confident225 Ų22570.7 Ų70.785%0.84936%0.363SS*.PPolyproline II helixtrans-93.9140.1168.3-67.8-175.8178.7-174.9-0.1109.8K618R616-K618 PolarHBondContact O-N 3.17Å
617T93Very high89Confident39 Ų3974 Ų7424%0.23939%0.389CS..PPolyproline II helixtrans-67.2123.816851.60000110.1I584 A604 V605I584-T617 HydrophobicContact CB-CG2 4.32Å; I584-T617 HydrophobicContact CG2-CG2 4Å; I584-T617 CarbonylContact O-C 3.57Å; I584-T617 WeakPolarHBondContact O-CA 3.03Å; A604-T617 HydrophobicContact CB-CG2 3.9Å; A604-T617 WeakPolarHBondContact O-CG2 3.34Å; V605-T617 HydrophobicContact CG2-CG2 4.45Å
618K94.5Very high89Confident58 Ų5879.6 Ų79.625%0.25242%0.415SS..EExtended strand (participates in β ladder)trans-85144.4174.6-64.9172.4175.1-174.80110.6T583 I584 Y585 Y586 R616 E628T583-K618 HydrophobicContact CG2-CD 3.98Å; I584-K618 PolarHBondContact O-N 3.37Å; Y585-K618 CarbonylContact C-O 3.57Å; Y585-K618 WeakPolarHBondContact CA-O 3.49Å; Y585-K618 HydrophobicContact CD1-CB 3.72Å; Y585-K618 HydrophobicContact CD1-CD 3.59Å; Y585-K618 HydrophobicContact CD1-CG 4.31Å; Y585-K618 HydrophobicContact CE1-CB 4.23Å; Y585-K618 HydrophobicContact CE1-CD 3.2Å; Y585-K618 HydrophobicContact CE1-CG 4.36Å; Y585-K618 HydrophobicContact CG-CB 4.31Å; Y585-K618 HydrophobicContact CG-CD 4.42Å; Y585-K618 PolarHBondContact OH-NZ 2.9Å; Y586-K618 WeakPolarHBondContact CD1-O 3.32Å; Y586-K618 WeakPolarHBondContact CE1-O 3.45Å; Y586-K618 PolarHBondContact N-O 3.18Å; R616-K618 PolarHBondContact O-N 3.17Å; K618-E628 IonicContact NZ-OE2 2.74Å; K618-E628 PolarHBondContact NZ-OE2 3.41Å
619R95.7Very high89Confident136 Ų13675.4 Ų75.451%0.51340%0.399SS..EExtended strand (participates in β ladder)trans-102.8131.8170.2-179.5177.2176.1-173.7-5.8107.6Y586 I588 E621Y586-R619 HydrophobicContact CD2-CG 4.49Å; Y586-R619 HydrophobicContact CE1-CB 4.01Å; Y586-R619 HydrophobicContact CE2-CB 4.02Å; Y586-R619 HydrophobicContact CE2-CG 3.78Å; I588-R619 HydrophobicContact CD1-CG 4.44Å; R619-E621 HydrophobicContact CG-CG 4.19Å; R619-E621 IonicContact CZ-OE1 2.74Å; R619-E621 IonicContact CZ-OE2 2.84Å; R619-E621 IonicContact NE-OE1 3.2Å; R619-E621 PolarHBondContact NE-OE1 3.14Å; R619-E621 IonicContact NE-OE2 3.91Å; R619-E621 PolarHBondContact NE-OE2 3.3Å; R619-E621 IonicContact NH2-OE1 3.17Å; R619-E621 PolarHBondContact NH2-OE1 3.02Å; R619-E621 IonicContact NH2-OE2 3.24Å; R619-E621 PolarHBondContact NH2-OE2 3Å
620E95.1Very high89.1Confident10 Ų1073.7 Ų73.75%0.04739%0.392CS..EExtended strand (participates in β ladder)trans-124.5143.6173.6-53.4-69.1168.800107Y585 Y586 W587 I588 E625 S626 F629Y585-E620 HydrophobicContact CD1-CG 3.8Å; Y585-E620 VanDerWaalsContact CD1-OE1 3.27Å; Y585-E620 WeakPolarHBondContact CD1-OE1 3.49Å; Y585-E620 WeakPolarHBondContact CE1-OE1 3.38Å; Y586-E620 PolarHBondContact O-N 2.84Å; W587-E620 CarbonylContact C-O 3.52Å; W587-E620 VanDerWaalsContact CA-O 3.29Å; W587-E620 WeakPolarHBondContact CA-O 3.44Å; W587-E620 HydrophobicContact CB-CB 4.39Å; W587-E620 HydrophobicContact CG-CB 4.48Å; I588-E620 PolarHBondContact N-O 2.9Å; E620-E625 HydrophobicContact CB-CG 4.49Å; E620-E625 WeakPolarHBondContact OE2-CA 3.35Å; E620-S626 PolarHBondContact OE1-OG 2.79Å; E620-S626 WeakPolarHBondContact OE2-CB 3.46Å; E620-S626 PolarHBondContact OE2-N 3.03Å; E620-S626 PolarHBondContact OE2-OG 3.3Å; E620-F629 HydrophobicContact CB-CD1 4.36Å; E620-F629 HydrophobicContact CB-CE1 4.47Å; E620-F629 HydrophobicContact CB-CG 4.47Å; E620-F629 HydrophobicContact CG-CB 4.07Å; E620-F629 HydrophobicContact CG-CD1 4.16Å; E620-F629 HydrophobicContact CG-CD2 3.9Å; E620-F629 HydrophobicContact CG-CE2 4.35Å; E620-F629 HydrophobicContact CG-CG 3.78Å
621E92.2Very high89.2Confident62 Ų6273.4 Ų73.429%0.2940%0.403SS..EExtended strand (participates in β ladder)trans-133.5150.1-179.6-43.7-145.2101.900109.8I588 R619 G623 D624 E625I588-E621 WeakPolarHBondContact CD1-OE1 3.31Å; I588-E621 WeakPolarHBondContact O-CA 2.84Å; R619-E621 HydrophobicContact CG-CG 4.19Å; R619-E621 IonicContact CZ-OE1 2.74Å; R619-E621 IonicContact CZ-OE2 2.84Å; R619-E621 IonicContact NE-OE1 3.2Å; R619-E621 PolarHBondContact NE-OE1 3.14Å; R619-E621 IonicContact NE-OE2 3.91Å; R619-E621 PolarHBondContact NE-OE2 3.3Å; R619-E621 IonicContact NH2-OE1 3.17Å; R619-E621 PolarHBondContact NH2-OE1 3.02Å; R619-E621 IonicContact NH2-OE2 3.24Å; R619-E621 PolarHBondContact NH2-OE2 3Å; E621-G623 PolarHBondContact O-N 3.02Å; E621-D624 PolarHBondContact O-N 2.91Å; E621-E625 VanDerWaalsContact O-CD 3.23Å
622E91.3Very high89.2Confident62 Ų6273.4 Ų73.429%0.2940%0.403SS..THydrogen-bonded Turntrans-53.4109-178.8-178179.6169.700112.6N563 W587 I588 S590 E625 V639N563-E622 WeakPolarHBondContact CB-OE2 3.34Å; W587-E622 HydrophobicContact CH2-CB 4.17Å; W587-E622 HydrophobicContact CZ2-CB 3.66Å; W587-E622 HydrophobicContact CZ2-CG 4.12Å; I588-E622 PolarHBondContact O-N 2.92Å; S590-E622 WeakPolarHBondContact CB-OE2 3.49Å; S590-E622 PolarHBondContact N-OE2 2.8Å; S590-E622 VanDerWaalsContact OG-CD 3.24Å; S590-E622 PolarHBondContact OG-OE1 2.9Å; S590-E622 PolarHBondContact OG-OE2 2.75Å; E622-E625 WeakPolarHBondContact CA-OE1 3.43Å; E622-V639 HydrophobicContact CG-CG1 4.14Å; E622-V639 HydrophobicContact CG-CG2 4.32Å
623G86.6Confident89.3Confident64 Ų6471.4 Ų71.466%0.6638%0.377SS*.THydrogen-bonded Turntrans97.1-9.4179.100000115.6E621 E625E621-G623 PolarHBondContact O-N 3.02Å; G623-E625 VanDerWaalsContact CA-OE2 3.29Å; G623-E625 WeakPolarHBondContact CA-OE2 3.05Å; G623-E625 PolarHBondContact N-OE1 3.31Å; G623-E625 PolarHBondContact N-OE2 2.82Å
624D90.4Very high89.1Confident141 Ų14178.3 Ų78.375%0.75441%0.413SS*.  trans-116.319.2178.2-85.5-37.6000112E621E621-D624 PolarHBondContact O-N 2.91Å
625E90.5Very high88.8Confident41 Ų4171 Ų7119%0.19239%0.391CS..  trans-64.4138.2-175.1-64.292.6162.200114.6W587 E620 E621 E622 G623 F629 V630 L637W587-E625 PolarHBondContact NE1-OE1 2.79Å; E620-E625 HydrophobicContact CB-CG 4.49Å; E620-E625 WeakPolarHBondContact OE2-CA 3.35Å; E621-E625 VanDerWaalsContact O-CD 3.23Å; E622-E625 WeakPolarHBondContact CA-OE1 3.43Å; G623-E625 VanDerWaalsContact CA-OE2 3.29Å; G623-E625 WeakPolarHBondContact CA-OE2 3.05Å; G623-E625 PolarHBondContact N-OE1 3.31Å; G623-E625 PolarHBondContact N-OE2 2.82Å; E625-F629 HydrophobicContact CB-CD1 4.02Å; E625-F629 HydrophobicContact CG-CD1 3.89Å; E625-F629 HydrophobicContact CG-CE1 4.12Å; E625-V630 HydrophobicContact CB-CG2 3.95Å; E625-L637 HydrophobicContact CB-CD2 4.4Å; E625-L637 HydrophobicContact CG-CD2 3.84Å
626S91.7Very high88.7Confident36 Ų3674.1 Ų74.125%0.25241%0.406SS..  trans-66.1145.2176.473.30000112.3E620 E628 F629 V630E620-S626 PolarHBondContact OE1-OG 2.79Å; E620-S626 WeakPolarHBondContact OE2-CB 3.46Å; E620-S626 PolarHBondContact OE2-N 3.03Å; E620-S626 PolarHBondContact OE2-OG 3.3Å; S626-E628 PolarHBondContact O-N 3Å; S626-E628 VanDerWaalsContact O-N 3.14Å; S626-F629 WeakPolarHBondContact O-CB 3.4Å; S626-F629 PolarHBondContact O-N 3.39Å; S626-F629 WeakPolarHBondContact OG-CB 3.31Å; S626-F629 PolarHBondContact OG-N 3.25Å; S626-V630 PolarHBondContact O-N 3.19Å
627S87.7Confident88.6Confident104 Ų10465.2 Ų65.273%0.72738%0.375SS*.Hα-helixtrans-61.3-23175.753.60000113.1A631S627-A631 WeakPolarHBondContact O-CB 3.27Å; S627-A631 PolarHBondContact O-N 3.05Å
628E89.9Confident88.2Confident118 Ų11867 Ų6755%0.55138%0.382SS*.Hα-helixtrans-71.3-38.6172.3-60.1177.517500111.7K618 S626K618-E628 IonicContact NZ-OE2 2.74Å; K618-E628 PolarHBondContact NZ-OE2 3.41Å; S626-E628 PolarHBondContact O-N 3Å; S626-E628 VanDerWaalsContact O-N 3.14Å
629F92Very high87.7Confident0 Ų066.4 Ų66.40%038%0.384CS..Hα-helixtrans-73.3-43.9175.2-177.2-105.2000112.3I569 Y585 W587 E620 E625 S626 A631 L632 F633 L637I569-F629 HydrophobicContact CB-CE2 4.35Å; I569-F629 HydrophobicContact CD1-CE2 3.8Å; I569-F629 HydrophobicContact CD1-CZ 4Å; I569-F629 HydrophobicContact CG1-CE2 4.03Å; I569-F629 HydrophobicContact CG1-CZ 4.43Å; Y585-F629 HydrophobicContact CD1-CB 4.14Å; Y585-F629 AromaticContact CD1-CD2 3.58Å; Y585-F629 HydrophobicContact CD1-CD2 3.58Å; Y585-F629 HydrophobicContact CD1-CE2 4.42Å; Y585-F629 HydrophobicContact CD1-CG 4.26Å; Y585-F629 HydrophobicContact CD2-CD2 4.32Å; Y585-F629 HydrophobicContact CE1-CB 3.9Å; Y585-F629 HydrophobicContact CE1-CD2 4.02Å; Y585-F629 HydrophobicContact CE1-CG 4.45Å; Y585-F629 AromaticContact CG-CD2 3.75Å; Y585-F629 HydrophobicContact CG-CD2 3.75Å; Y585-F629 HydrophobicContact CG-CE2 4.24Å; W587-F629 HydrophobicContact CB-CZ 4.1Å; W587-F629 AromaticContact CD1-CE1 3.63Å; W587-F629 AromaticContact CD1-CZ 3.95Å; W587-F629 HydrophobicContact CG-CE1 4.37Å; W587-F629 HydrophobicContact CG-CZ 4.28Å; E620-F629 HydrophobicContact CB-CD1 4.36Å; E620-F629 HydrophobicContact CB-CE1 4.47Å; E620-F629 HydrophobicContact CB-CG 4.47Å; E620-F629 HydrophobicContact CG-CB 4.07Å; E620-F629 HydrophobicContact CG-CD1 4.16Å; E620-F629 HydrophobicContact CG-CD2 3.9Å; E620-F629 HydrophobicContact CG-CE2 4.35Å; E620-F629 HydrophobicContact CG-CG 3.78Å; E625-F629 HydrophobicContact CB-CD1 4.02Å; E625-F629 HydrophobicContact CG-CD1 3.89Å; E625-F629 HydrophobicContact CG-CE1 4.12Å; S626-F629 WeakPolarHBondContact O-CB 3.4Å; S626-F629 PolarHBondContact O-N 3.39Å; S626-F629 WeakPolarHBondContact OG-CB 3.31Å; S626-F629 PolarHBondContact OG-N 3.25Å; F629-A631 PolarHBondContact O-N 2.99Å; F629-L632 HydrophobicContact CD2-CD1 3.72Å; F629-L632 HydrophobicContact CE2-CD1 4.21Å; F629-L632 HydrophobicContact CG-CD1 4.49Å; F629-L632 VanDerWaalsContact O-CB 3.25Å; F629-L632 WeakPolarHBondContact O-CB 3.42Å; F629-L632 VanDerWaalsContact O-CG 3.31Å; F629-L632 WeakPolarHBondContact O-CG 3.33Å; F629-L632 PolarHBondContact O-N 3.29Å; F629-F633 HydrophobicContact CD1-CE2 4.25Å; F629-F633 HydrophobicContact CD2-CE2 4.44Å; F629-F633 AromaticContact CE1-CE2 3.83Å; F629-F633 HydrophobicContact CE1-CE2 3.83Å; F629-F633 HydrophobicContact CE2-CE2 4.03Å; F629-F633 HydrophobicContact CE2-CZ 4.33Å; F629-F633 AromaticContact CZ-CE2 3.71Å; F629-F633 HydrophobicContact CZ-CE2 3.71Å; F629-F633 HydrophobicContact CZ-CZ 4.07Å; F629-F633 WeakPolarHBondContact O-CD2 3.44Å; F629-L637 HydrophobicContact CD1-CD2 4.39Å; F629-L637 HydrophobicContact CE1-CD1 4.39Å; F629-L637 HydrophobicContact CE1-CD2 4.14Å
630V87.9Confident87.2Confident47 Ų4763.7 Ų63.729%0.28538%0.379SS..Hα-helixtrans-61.1-31.8176.8175.20000111.8E625 S626 L632 F633 G635 L637E625-V630 HydrophobicContact CB-CG2 3.95Å; S626-V630 PolarHBondContact O-N 3.19Å; V630-L632 PolarHBondContact O-N 2.81Å; V630-F633 PolarHBondContact O-N 3.38Å; V630-G635 PolarHBondContact O-N 3.07Å; V630-L637 HydrophobicContact CG2-CD2 4.45Å
631A87.7Confident86.5Confident67 Ų6768.6 Ų68.655%0.55441%0.405SS*.G310 helixtrans-68.9-14.6174.800000114.4S627 F629 F633S627-A631 WeakPolarHBondContact O-CB 3.27Å; S627-A631 PolarHBondContact O-N 3.05Å; F629-A631 PolarHBondContact O-N 2.99Å; A631-F633 PolarHBondContact O-N 3.11Å
632L87.9Confident85.7Confident27 Ų2767.1 Ų67.114%0.14141%0.407CS..G310 helixtrans-70-18175.3-57.2177.6000113.2V539 I569 Q571 Y585 F629 V630V539-L632 HydrophobicContact CG2-CB 4.49Å; V539-L632 HydrophobicContact CG2-CD2 4.22Å; I569-L632 HydrophobicContact CG2-CD1 4.23Å; Q571-L632 HydrophobicContact CB-CD2 4.15Å; Q571-L632 HydrophobicContact CG-CD2 3.93Å; Y585-L632 HydrophobicContact CD2-CD1 4.07Å; Y585-L632 HydrophobicContact CE2-CD1 3.78Å; F629-L632 HydrophobicContact CD2-CD1 3.72Å; F629-L632 HydrophobicContact CE2-CD1 4.21Å; F629-L632 HydrophobicContact CG-CD1 4.49Å; F629-L632 VanDerWaalsContact O-CB 3.25Å; F629-L632 WeakPolarHBondContact O-CB 3.42Å; F629-L632 VanDerWaalsContact O-CG 3.31Å; F629-L632 WeakPolarHBondContact O-CG 3.33Å; F629-L632 PolarHBondContact O-N 3.29Å; V630-L632 PolarHBondContact O-N 2.81Å
633F86.2Confident84.8Confident17 Ų1767.1 Ų67.18%0.07542%0.417CS..G310 helixtrans-117.424.3-173-52.4-76.7000112.5L557 F629 V630 A631 G635 N636 L637L557-F633 HydrophobicContact CD2-CE1 4.21Å; F629-F633 HydrophobicContact CD1-CE2 4.25Å; F629-F633 HydrophobicContact CD2-CE2 4.44Å; F629-F633 AromaticContact CE1-CE2 3.83Å; F629-F633 HydrophobicContact CE1-CE2 3.83Å; F629-F633 HydrophobicContact CE2-CE2 4.03Å; F629-F633 HydrophobicContact CE2-CZ 4.33Å; F629-F633 AromaticContact CZ-CE2 3.71Å; F629-F633 HydrophobicContact CZ-CE2 3.71Å; F629-F633 HydrophobicContact CZ-CZ 4.07Å; F629-F633 WeakPolarHBondContact O-CD2 3.44Å; V630-F633 PolarHBondContact O-N 3.38Å; A631-F633 PolarHBondContact O-N 3.11Å; F633-G635 PolarHBondContact O-N 2.95Å; F633-N636 WeakPolarHBondContact O-CB 3.42Å; F633-N636 PolarHBondContact O-N 2.66Å; F633-N636 PolarHBondContact O-ND2 2.78Å; F633-L637 HydrophobicContact CD2-CD1 4Å; F633-L637 HydrophobicContact CE2-CD1 4.04Å
634D79.9Confident83.9Confident154 Ų15470.3 Ų70.382%0.82441%0.409SS*.THydrogen-bonded Turntrans51.626.5-171.9-71.4-38.9000113.8N636D634-N636 PolarHBondContact O-ND2 2.85Å; D634-N636 VanDerWaalsContact O-ND2 3.12Å
635G75Confident82.3Confident48 Ų4865.1 Ų65.150%0.49539%0.389SS..THydrogen-bonded Turntrans82.35-175.500000115.8V630 F633V630-G635 PolarHBondContact O-N 3.07Å; F633-G635 PolarHBondContact O-N 2.95Å
636N79.7Confident80.5Confident101 Ų10169.5 Ų69.554%0.5441%0.41SS..  trans-102.345.1-174.8-54.5-77.9000113F633 D634F633-N636 WeakPolarHBondContact O-CB 3.42Å; F633-N636 PolarHBondContact O-N 2.66Å; F633-N636 PolarHBondContact O-ND2 2.78Å; D634-N636 PolarHBondContact O-ND2 2.85Å; D634-N636 VanDerWaalsContact O-ND2 3.12Å
637L84.9Confident78.5Confident37 Ų3768.5 Ų68.519%0.19440%0.402CS..  trans-73125.2173.1-173.967.3000110L561 E625 F629 V630 F633L561-L637 HydrophobicContact CD1-CD1 3.83Å; L561-L637 HydrophobicContact CG-CD1 4.18Å; E625-L637 HydrophobicContact CB-CD2 4.4Å; E625-L637 HydrophobicContact CG-CD2 3.84Å; F629-L637 HydrophobicContact CD1-CD2 4.39Å; F629-L637 HydrophobicContact CE1-CD1 4.39Å; F629-L637 HydrophobicContact CE1-CD2 4.14Å; V630-L637 HydrophobicContact CG2-CD2 4.45Å; F633-L637 HydrophobicContact CD2-CD1 4Å; F633-L637 HydrophobicContact CE2-CD1 4.04Å
638I84.6Confident76.6Confident77 Ų7766 Ų6640%0.39539%0.393SS..EExtended strand (participates in β ladder)trans-134.2113.5-176.6-65.9170.9000109.1G559 H560 L561 L640G559-I638 PolarHBondContact O-N 3.19Å; H560-I638 WeakPolarHBondContact CA-O 3.25Å; L561-I638 PolarHBondContact N-O 3.28Å; L561-I638 VanDerWaalsContact N-O 3.08Å; I638-L640 HydrophobicContact CG2-CD2 4.01Å; I638-L640 HydrophobicContact CG2-CG 4.47Å
639V85.5Confident74.3Confident46 Ų4665.7 Ų65.728%0.27939%0.39SS..EExtended strand (participates in β ladder)trans-91.9137.8176.7-171.40000110.3L561 N563 W587 E622L561-V639 CarbonylContact O-C 3.59Å; L561-V639 WeakPolarHBondContact O-CA 3.28Å; N563-V639 HydrophobicContact CB-CG1 3.92Å; W587-V639 HydrophobicContact CH2-CG1 3.85Å; W587-V639 HydrophobicContact CH2-CG2 4.23Å; W587-V639 HydrophobicContact CZ2-CG1 4.13Å; W587-V639 HydrophobicContact CZ2-CG2 3.71Å; E622-V639 HydrophobicContact CG-CG1 4.14Å; E622-V639 HydrophobicContact CG-CG2 4.32Å
640L85.3Confident72.2Confident79 Ų7972.2 Ų72.241%0.41442%0.423SS..EExtended strand (participates in β ladder)trans-120.5145.8-174.6-61.1176.2000111.2H560 L561 L562 N563 I638 G642H560-L640 HydrophobicContact CB-CD1 4.26Å; L561-L640 PolarHBondContact O-N 3.18Å; L562-L640 WeakPolarHBondContact CA-O 3.28Å; L562-L640 HydrophobicContact CD2-CB 4.03Å; N563-L640 PolarHBondContact N-O 2.89Å; N563-L640 PolarHBondContact OD1-O 2.71Å; I638-L640 HydrophobicContact CG2-CD2 4.01Å; I638-L640 HydrophobicContact CG2-CG 4.47Å; L640-G642 PolarHBondContact O-N 2.88Å
641D78.6Confident69.9Low112 Ų11275.4 Ų75.460%0.59944%0.435SS*.SBendtrans-73.4116.3178-120.540.2000111N563 R591N563-D641 PolarHBondContact ND2-OD1 2.77Å; R591-D641 VanDerWaalsContact CZ-CG 3.5Å; R591-D641 IonicContact CZ-OD1 2.92Å; R591-D641 IonicContact CZ-OD2 3.51Å; R591-D641 IonicContact NE-OD1 3.93Å; R591-D641 IonicContact NH1-OD1 2.73Å; R591-D641 PolarHBondContact NH1-OD1 3.47Å; R591-D641 IonicContact NH1-OD2 2.71Å; R591-D641 PolarHBondContact NH1-OD2 3.32Å; R591-D641 IonicContact NH2-OD1 3.24Å; R591-D641 PolarHBondContact NH2-OD1 3.27Å; R591-D641 IonicContact NH2-OD2 3.45Å; R591-D641 PolarHBondContact NH2-OD2 2.77Å
642G76.7Confident67.5Low31 Ų3179.1 Ų79.132%0.3245%0.45SS..  trans148.4-176175.800000114.8N563 G564 L640N563-G642 PolarHBondContact OD1-N 2.87Å; N563-G642 VanDerWaalsContact OD1-N 3.08Å; G564-G642 VanDerWaalsContact CA-O 3.31Å; G564-G642 WeakPolarHBondContact CA-O 3.46Å; G564-G642 PolarHBondContact N-O 3.12Å; L640-G642 PolarHBondContact O-N 2.88Å
643A72.3Confident65.3Low62 Ų6285.4 Ų85.451%0.51248%0.479SS..  trans-150.2147.9177.100000111.5D565D565-A643 WeakPolarHBondContact OD2-CA 3.29Å
644R66.7Low63.4Low132 Ų13290.7 Ų90.750%0.49851%0.508SS..SBendtrans-99119.3166.4-76.8172.8-179.9178.28.2110E543 L562 D565 K596E543-R644 VanDerWaalsContact CD-CD 3.4Å; E543-R644 VanDerWaalsContact CD-NH1 3.3Å; E543-R644 WeakPolarHBondContact OE1-CD 3.45Å; E543-R644 IonicContact OE1-CZ 3.09Å; E543-R644 IonicContact OE1-NE 2.81Å; E543-R644 IonicContact OE1-NH1 3.92Å; E543-R644 PolarHBondContact OE1-NH1 2.82Å; E543-R644 VanDerWaalsContact OE1-NH1 3.14Å; E543-R644 WeakPolarHBondContact OE2-CD 3.19Å; E543-R644 IonicContact OE2-CZ 2.69Å; E543-R644 IonicContact OE2-NE 3.48Å; E543-R644 IonicContact OE2-NH1 2.66Å; E543-R644 PolarHBondContact OE2-NH1 2.93Å; L562-R644 HydrophobicContact CD1-CG 3.82Å; D565-R644 VanDerWaalsContact CG-N 3.34Å; D565-R644 PolarHBondContact OD1-N 3.34Å; D565-R644 VanDerWaalsContact OD1-N 3.12Å; D565-R644 PolarHBondContact OD2-N 2.87Å; K596-R644 PolarHBondContact NZ-O 3.42Å
645G58.1Low62.2Low32 Ų3287.9 Ų87.933%0.3349%0.493SS..SBendtrans78.1124176.400000114.3K596K596-G645 PolarHBondContact NZ-O 3.17Å
646E52.9Low61.5Low132 Ų13291.3 Ų91.362%0.61750%0.504SS*.  trans-67.2140.4163.8-56.8162.2162.600109.3G648 K871E646-G648 PolarHBondContact O-N 3.43Å; E646-K871 IonicContact OE1-NZ 3.87Å; E646-K871 IonicContact OE2-NZ 3.67Å; E646-K871 PolarHBondContact OE2-NZ 2.81Å
647T48.7Very low61.1Low15 Ų1587.5 Ų87.59%0.09248%0.484CS..  trans-74-5.3-178.751.60000114.9F547 T593 K596 F649F547-T647 HydrophobicContact CE1-CG2 4.21Å; F547-T647 WeakPolarHBondContact CE2-O 3.31Å; F547-T647 HydrophobicContact CZ-CG2 4.04Å; T593-T647 HydrophobicContact CG2-CG2 3.74Å; T593-T647 WeakPolarHBondContact OG1-CG2 3.41Å; K596-T647 HydrophobicContact CD-CG2 4.22Å; K596-T647 HydrophobicContact CG-CG2 3.8Å; T647-F649 WeakPolarHBondContact O-CD2 3.33Å; T647-F649 PolarHBondContact O-N 3.04Å
648G47.2Very low60.7Low52 Ų5289 Ų8954%0.53650%0.495SS..SBendtrans72.5-0.2-174.800000114.6E646E646-G648 PolarHBondContact O-N 3.43Å
649F41.9Very low60.6Low112 Ų11286.4 Ų86.449%0.49148%0.483SS..SBendtrans-98.9135.6166.9-65.5-83.9000109.1F547 T647 H651F547-F649 HydrophobicContact CE2-CD2 4.45Å; F547-F649 HydrophobicContact CE2-CE2 4.05Å; F547-F649 HydrophobicContact CZ-CD2 4.1Å; F547-F649 AromaticContact CZ-CE2 3.92Å; F547-F649 HydrophobicContact CZ-CE2 3.92Å; T647-F649 WeakPolarHBondContact O-CD2 3.33Å; T647-F649 PolarHBondContact O-N 3.04Å; F649-H651 PolarHBondContact O-N 3.19Å
650I48.1Very low60.6Low137 Ų13787.8 Ų87.870%0.70348%0.483SS*.PPolyproline II helixtrans-80.4121.5-178.3-60.7171.9000108.4V652I650-V652 PolarHBondContact O-N 2.76Å
651H40.4Very low60.7Low113 Ų11384 Ų8452%0.52346%0.464SS..PPolyproline II helixtrans-66.8129.5167.9-83.4-121.8000109.4T593 F649 E653T593-H651 WeakPolarHBondContact CG2-NE2 3.49Å; F649-H651 PolarHBondContact O-N 3.19Å; H651-E653 HydrophobicContact CB-CG 4.45Å; H651-E653 PolarHBondContact O-N 2.79Å
652V36.6Very low61.1Low145 Ų14578.9 Ų78.988%0.87944%0.436SS*.  trans-87.385.4171.8-176.10000107.5I650I650-V652 PolarHBondContact O-N 2.76Å
653E42.6Very low61.7Low160 Ų16077.7 Ų77.775%0.74842%0.422SS*.  trans-73.4162.2167.6-63.1-176.7168.600110.1H651H651-E653 HydrophobicContact CB-CG 4.45Å; H651-E653 PolarHBondContact O-N 2.79Å
654D45.3Very low62.5Low127 Ų12774.7 Ų74.768%0.67940%0.397SS*.  trans-63143.6-176.8-79.4-50.2000112.3V656 K758D654-V656 PolarHBondContact O-N 3.39Å; D654-K758 IonicContact OD1-NZ 3.59Å; D654-K758 PolarHBondContact OD1-NZ 2.91Å
655D54.8Low63.4Low95 Ų9570 Ų7051%0.50838%0.38SS..  trans-61.384.8-172.6-67.4-82.7000113.6V657 K758D655-V657 PolarHBondContact O-N 3.08Å; D655-K758 VanDerWaalsContact OD2-CE 3.22Å; D655-K758 WeakPolarHBondContact OD2-CE 3.48Å; D655-K758 IonicContact OD2-NZ 3.79Å
656V61.7Low64.3Low121 Ų12169.2 Ų69.273%0.73337%0.372SS*.  trans-62.7116.5166.6179.70000108.5D654 V658D654-V656 PolarHBondContact O-N 3.39Å; V656-V658 HydrophobicContact CG1-CG2 4.22Å; V656-V658 PolarHBondContact O-N 3.47Å
657V69.9Low65.1Low20 Ų2066.7 Ų66.712%0.12137%0.366CS..  trans-67.2106.2173.7-179.30000108.4D655 P659 Q694 V752 P755D655-V657 PolarHBondContact O-N 3.08Å; V657-P659 HydrophobicContact CG1-CG 4.46Å; V657-P659 WeakPolarHBondContact O-CD 3.42Å; V657-Q694 HydrophobicContact CG1-CB 4.07Å; V657-V752 HydrophobicContact CB-CG1 3.74Å; V657-V752 HydrophobicContact CG1-CG1 3.62Å; V657-P755 HydrophobicContact CG2-CB 3.62Å; V657-P755 HydrophobicContact CG2-CG 4.42Å
658V76.6Confident65.8Low70 Ų7072.8 Ų72.842%0.42439%0.394SS..  trans-102.4100.7171.1-177.80000108.6V656 R660 L920V656-V658 HydrophobicContact CG1-CG2 4.22Å; V656-V658 PolarHBondContact O-N 3.47Å; V658-R660 PolarHBondContact O-N 2.96Å; V658-L920 HydrophobicContact CB-CD1 4.45Å; V658-L920 HydrophobicContact CG1-CD1 3.98Å; V658-L920 HydrophobicContact CG2-CD1 4.33Å
659P82.7Confident66.7Low21 Ų2179.5 Ų79.514%0.13641%0.408CS..  trans-66.9130.5-179.8-17.131.3000110.8V657 L678 L691 D692 A693 I746 V752V657-P659 HydrophobicContact CG1-CG 4.46Å; V657-P659 WeakPolarHBondContact O-CD 3.42Å; P659-L678 HydrophobicContact CB-CD1 4.29Å; P659-L678 HydrophobicContact CB-CD2 3.96Å; P659-L678 HydrophobicContact CG-CD2 4.14Å; P659-L691 HydrophobicContact CB-CD1 4.21Å; P659-D692 CarbonylContact C-O 3.45Å; P659-D692 VanDerWaalsContact CA-O 3.26Å; P659-D692 WeakPolarHBondContact CA-O 3.47Å; P659-A693 HydrophobicContact CB-CB 4.13Å; P659-I746 HydrophobicContact CB-CG2 4.14Å; P659-I746 HydrophobicContact CG-CG2 4.22Å; P659-V752 HydrophobicContact CG-CG1 4.27Å
660R85.4Confident68Low75 Ų7577.3 Ų77.328%0.28340%0.396SS..EExtended strand (participates in β ladder)trans-109.2130.8179.2-60.4-170.6-179.2108.92.5110.1V658 Y662 D692V658-R660 PolarHBondContact O-N 2.96Å; R660-Y662 HydrophobicContact CB-CD2 4.46Å; R660-Y662 HydrophobicContact CB-CE2 3.6Å; R660-Y662 WeakPolarHBondContact CD-OH 3.49Å; R660-D692 PolarHBondContact N-O 3.4Å; R660-D692 PolarHBondContact O-N 2.8Å
661F87.1Confident69.5Low1 Ų171.4 Ų71.40%0.00437%0.366CS..EExtended strand (participates in β ladder)trans-107.8133.6-178.9-164-128.7000110.7M676 L678 L683 Y689 L691 I747F661-M676 HydrophobicContact CB-CB 4.26Å; F661-M676 HydrophobicContact CD1-CB 3.66Å; F661-M676 HydrophobicContact CD1-CG 4.38Å; F661-M676 HydrophobicContact CE1-CB 4.48Å; F661-M676 HydrophobicContact CG-CB 4.32Å; F661-M676 PolarHBondContact O-N 3.49Å; F661-L678 HydrophobicContact CB-CD1 4.28Å; F661-L683 HydrophobicContact CE1-CD2 4.31Å; F661-L683 HydrophobicContact CZ-CD2 3.72Å; F661-Y689 HydrophobicContact CD1-CD1 4.26Å; F661-Y689 AromaticContact CE1-CD1 3.4Å; F661-Y689 HydrophobicContact CE1-CD1 3.4Å; F661-Y689 AromaticContact CE1-CE1 3.94Å; F661-Y689 HydrophobicContact CE1-CE1 3.94Å; F661-Y689 HydrophobicContact CE1-CG 4.12Å; F661-Y689 HydrophobicContact CE2-CD1 4.27Å; F661-Y689 HydrophobicContact CE2-CG 4.34Å; F661-Y689 VanDerWaalsContact CZ-CB 3.47Å; F661-Y689 AromaticContact CZ-CD1 3.4Å; F661-Y689 HydrophobicContact CZ-CD1 3.4Å; F661-Y689 VanDerWaalsContact CZ-CD1 3.4Å; F661-Y689 HydrophobicContact CZ-CE1 4.29Å; F661-Y689 AromaticContact CZ-CG 3.63Å; F661-Y689 HydrophobicContact CZ-CG 3.63Å; F661-L691 HydrophobicContact CD2-CB 3.74Å; F661-L691 HydrophobicContact CD2-CD1 4.03Å; F661-L691 HydrophobicContact CD2-CG 4.44Å; F661-L691 HydrophobicContact CE2-CB 3.97Å; F661-I747 HydrophobicContact CD1-CD1 4.48Å; F661-I747 HydrophobicContact CE1-CD1 3.83Å; F661-I747 HydrophobicContact CE2-CD1 3.96Å; F661-I747 HydrophobicContact CZ-CD1 3.55Å
662Y88.5Confident71.4Confident4 Ų469.3 Ų69.32%0.01636%0.355CS..EExtended strand (participates in β ladder)trans-131.3124.2-172.1-64.1-71000112.2R660 I673 V674 Y689 L690 D692 I932R660-Y662 HydrophobicContact CB-CD2 4.46Å; R660-Y662 HydrophobicContact CB-CE2 3.6Å; R660-Y662 WeakPolarHBondContact CD-OH 3.49Å; Y662-I673 HydrophobicContact CD1-CG2 3.75Å; Y662-I673 HydrophobicContact CG-CG2 4Å; Y662-V674 CarbonylContact C-O 3.06Å; Y662-V674 VanDerWaalsContact CA-O 3.29Å; Y662-V674 WeakPolarHBondContact CA-O 3.42Å; Y662-Y689 CarbonylContact O-C 3.47Å; Y662-Y689 WeakPolarHBondContact O-CA 3.35Å; Y662-L690 WeakPolarHBondContact CB-O 3.5Å; Y662-L690 PolarHBondContact N-O 3.26Å; Y662-L690 PolarHBondContact O-N 3.3Å; Y662-D692 HydrophobicContact CD2-CB 4.49Å; Y662-D692 HydrophobicContact CE2-CB 4.18Å; Y662-I932 HydrophobicContact CD1-CD1 4.5Å; Y662-I932 HydrophobicContact CD1-CG2 4.46Å; Y662-I932 HydrophobicContact CD2-CD1 4.04Å; Y662-I932 HydrophobicContact CE1-CD1 4.34Å; Y662-I932 HydrophobicContact CE1-CG1 4.43Å; Y662-I932 HydrophobicContact CE1-CG2 3.73Å; Y662-I932 HydrophobicContact CE2-CD1 3.84Å; Y662-I932 HydrophobicContact CE2-CG1 4.03Å; Y662-I932 HydrophobicContact CG-CD1 4.35Å
663R87.8Confident73.7Confident5 Ų562.8 Ų62.82%0.01932%0.316CS..EExtended strand (participates in β ladder)trans-83.5128.4171.7-175.8179-72.7146.5-2.5110F665 V674 M676 S682 F687 Y689R663-F665 HydrophobicContact CG-CD1 4.23Å; R663-V674 PolarHBondContact N-O 2.8Å; R663-V674 PolarHBondContact O-N 2.92Å; R663-V674 VanDerWaalsContact O-N 3.12Å; R663-M676 HydrophobicContact CB-CG 3.6Å; R663-M676 HydrophobicContact CB-SD 3.75Å; R663-M676 VanDerWaalsContact CZ-CE 3.43Å; R663-M676 PolarHBondContact NH1-SD 3.28Å; R663-M676 VanDerWaalsContact NH1-SD 3.43Å; R663-S682 PolarHBondContact NH2-O 3.08Å; R663-F687 HydrophobicContact CG-CB 4.18Å; R663-F687 HydrophobicContact CG-CG 4.25Å; R663-Y689 HydrophobicContact CB-CD1 3.89Å; R663-Y689 HydrophobicContact CB-CE1 3.66Å; R663-Y689 HydrophobicContact CG-CD1 4.25Å; R663-Y689 HydrophobicContact CG-CE1 3.73Å; R663-Y689 PolarHBondContact NE-OH 3.38Å; R663-Y689 PolarHBondContact NH2-OH 3.32Å
664L89.6Confident75.4Confident0 Ų055.6 Ų55.60%028%0.283CS..EExtended strand (participates in β ladder)trans-110.3126.8-177.2-54.5-177.8000111.4L671 I673 S688 L690 L699 I709 G713 L716L664-L671 HydrophobicContact CB-CD1 4.4Å; L664-I673 HydrophobicContact CD2-CB 4.39Å; L664-I673 HydrophobicContact CD2-CD1 4.46Å; L664-I673 HydrophobicContact CD2-CG1 3.91Å; L664-I673 HydrophobicContact CD2-CG2 4.09Å; L664-S688 WeakPolarHBondContact CA-O 3.24Å; L664-S688 WeakPolarHBondContact CB-O 3.35Å; L664-S688 PolarHBondContact N-O 3.06Å; L664-S688 PolarHBondContact O-N 2.9Å; L664-L690 HydrophobicContact CD1-CB 4.05Å; L664-L690 HydrophobicContact CG-CB 4.43Å; L664-L699 HydrophobicContact CD1-CD1 3.93Å; L664-I709 HydrophobicContact CB-CG2 4.13Å; L664-I709 WeakPolarHBondContact O-CG2 3.16Å; L664-G713 VanDerWaalsContact CD1-CA 3.49Å; L664-L716 HydrophobicContact CD2-CD2 3.98Å
665F85Confident77.1Confident32 Ų3250.3 Ų50.314%0.1426%0.256CS..EExtended strand (participates in β ladder)trans-156.8-179.4-179.460.1-77.7000111.6R663 K672 V674 F687 W805 L807R663-F665 HydrophobicContact CG-CD1 4.23Å; F665-K672 HydrophobicContact CD1-CB 4.34Å; F665-K672 HydrophobicContact CD2-CB 4.02Å; F665-K672 HydrophobicContact CD2-CD 4.18Å; F665-K672 HydrophobicContact CE1-CB 4.22Å; F665-K672 HydrophobicContact CE2-CB 3.89Å; F665-K672 HydrophobicContact CE2-CD 3.76Å; F665-K672 HydrophobicContact CE2-CG 4.48Å; F665-K672 HydrophobicContact CG-CB 4.24Å; F665-K672 HydrophobicContact CZ-CB 4Å; F665-K672 HydrophobicContact CZ-CD 4.42Å; F665-K672 PolarHBondContact N-O 2.73Å; F665-K672 VanDerWaalsContact N-O 3.09Å; F665-K672 PolarHBondContact O-N 2.8Å; F665-V674 HydrophobicContact CE1-CB 4.23Å; F665-V674 HydrophobicContact CE1-CG2 3.55Å; F665-V674 HydrophobicContact CZ-CG2 3.76Å; F665-F687 HydrophobicContact CB-CD1 3.68Å; F665-F687 HydrophobicContact CB-CE1 3.77Å; F665-F687 HydrophobicContact CG-CD1 4.49Å; F665-F687 HydrophobicContact CG-CE1 4.34Å; F665-W805 HydrophobicContact CZ-CZ3 4.35Å; F665-L807 HydrophobicContact CE2-CD2 4.31Å; F665-L807 HydrophobicContact CZ-CB 4.23Å; F665-L807 HydrophobicContact CZ-CD2 3.98Å
666G76.6Confident78.2Confident16 Ų1646 Ų4617%0.16523%0.233CC..EExtended strand (participates in β ladder)trans139.1-146.9172.500000115.2R706G666-R706 PolarHBondContact O-NH1 3.1Å; G666-R706 VanDerWaalsContact O-NH1 3.15Å
667T70.6Confident78.7Confident79 Ų7940.7 Ų40.749%0.48520%0.201SC..  trans-120.2171.3-176.1680000111.5K669 R670T667-K669 PolarHBondContact O-N 2.97Å; T667-K669 VanDerWaalsContact O-N 3.14Å; T667-K669 PolarHBondContact OG1-N 2.61Å; T667-R670 PolarHBondContact N-O 2.76Å; T667-R670 PolarHBondContact OG1-N 3.42Å; T667-R670 VanDerWaalsContact OG1-N 3.15Å
668E64.5Low79Confident144 Ų14442.1 Ų42.167%0.67321%0.207SC*.SBendtrans-56.2-29.6176.3-54.2-176.5148.600112.4I708 K712E668-I708 HydrophobicContact CB-CD1 3.91Å; E668-I708 HydrophobicContact CG-CD1 4.14Å; E668-K712 PolarHBondContact O-NZ 2.67Å
669K65.4Low79Confident192 Ų19239.1 Ų39.184%0.83519%0.189SC*.SBendtrans-86.8-59.1174.5-62.8-165.9175-167.50112.7T667 K712T667-K669 PolarHBondContact O-N 2.97Å; T667-K669 VanDerWaalsContact O-N 3.14Å; T667-K669 PolarHBondContact OG1-N 2.61Å; K669-K712 PolarHBondContact O-NZ 3.24Å
670R69Low78.7Confident66 Ų6639.7 Ų39.725%0.24919%0.19CC..  trans-109124.7-171.2-172.9171-179.4-152.91.3113.1T667 Q936T667-R670 PolarHBondContact N-O 2.76Å; T667-R670 PolarHBondContact OG1-N 3.42Å; T667-R670 VanDerWaalsContact OG1-N 3.15Å; R670-Q936 PolarHBondContact NH2-O 3.09Å
671L80Confident78.2Confident13 Ų1337.3 Ų37.37%0.06818%0.183CC..EExtended strand (participates in β ladder)trans-75.7144.2163.4-173.867.9000109.3L664 I673 I709 K712 L716 L944L664-L671 HydrophobicContact CB-CD1 4.4Å; L671-I673 HydrophobicContact CD2-CD1 4.41Å; L671-I673 HydrophobicContact CD2-CG1 4.31Å; L671-I673 HydrophobicContact CG-CG1 4.38Å; L671-I709 HydrophobicContact CD1-CD1 4.2Å; L671-I709 HydrophobicContact CD1-CG2 4.26Å; L671-K712 HydrophobicContact CB-CD 4.38Å; L671-K712 HydrophobicContact CD1-CB 4.16Å; L671-K712 HydrophobicContact CD2-CB 4.32Å; L671-L716 HydrophobicContact CD2-CD2 4.17Å; L671-L944 HydrophobicContact CB-CD1 4.37Å; L671-L944 HydrophobicContact CD2-CD1 3.74Å
672K79.8Confident77.7Confident69 Ų6937.3 Ų37.330%0.318%0.183SC..EExtended strand (participates in β ladder)trans-122.9137.6172.4-71.4-177.3162-162.70108.7F665 L807F665-K672 HydrophobicContact CD1-CB 4.34Å; F665-K672 HydrophobicContact CD2-CB 4.02Å; F665-K672 HydrophobicContact CD2-CD 4.18Å; F665-K672 HydrophobicContact CE1-CB 4.22Å; F665-K672 HydrophobicContact CE2-CB 3.89Å; F665-K672 HydrophobicContact CE2-CD 3.76Å; F665-K672 HydrophobicContact CE2-CG 4.48Å; F665-K672 HydrophobicContact CG-CB 4.24Å; F665-K672 HydrophobicContact CZ-CB 4Å; F665-K672 HydrophobicContact CZ-CD 4.42Å; F665-K672 PolarHBondContact N-O 2.73Å; F665-K672 VanDerWaalsContact N-O 3.09Å; F665-K672 PolarHBondContact O-N 2.8Å; K672-L807 HydrophobicContact CB-CD2 4.45Å; K672-L807 HydrophobicContact CD-CD2 3.71Å; K672-L807 HydrophobicContact CG-CD2 4.35Å
673I84Confident77.5Confident8 Ų837.5 Ų37.54%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-127.1131-176.4-50.2-177.5000108Y662 L664 L671 L716 I932 C935Y662-I673 HydrophobicContact CD1-CG2 3.75Å; Y662-I673 HydrophobicContact CG-CG2 4Å; L664-I673 HydrophobicContact CD2-CB 4.39Å; L664-I673 HydrophobicContact CD2-CD1 4.46Å; L664-I673 HydrophobicContact CD2-CG1 3.91Å; L664-I673 HydrophobicContact CD2-CG2 4.09Å; L671-I673 HydrophobicContact CD2-CD1 4.41Å; L671-I673 HydrophobicContact CD2-CG1 4.31Å; L671-I673 HydrophobicContact CG-CG1 4.38Å; I673-L716 HydrophobicContact CD1-CD1 4.32Å; I673-L716 HydrophobicContact CD1-CD2 3.53Å; I673-L716 HydrophobicContact CG1-CD2 4.41Å; I673-I932 HydrophobicContact CD1-CD1 4.23Å; I673-I932 HydrophobicContact CG2-CD1 4.32Å; I673-C935 HydrophobicContact CD1-CB 3.45Å; I673-C935 VanDerWaalsContact CD1-CB 3.45Å; I673-C935 HydrophobicContact CG1-CB 4.25Å
674V79Confident77.2Confident10 Ų1037.4 Ų37.46%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-128.5131.8177.1172.10000109.5Y662 R663 F665 M676 W805 L807Y662-V674 CarbonylContact C-O 3.06Å; Y662-V674 VanDerWaalsContact CA-O 3.29Å; Y662-V674 WeakPolarHBondContact CA-O 3.42Å; R663-V674 PolarHBondContact N-O 2.8Å; R663-V674 PolarHBondContact O-N 2.92Å; R663-V674 VanDerWaalsContact O-N 3.12Å; F665-V674 HydrophobicContact CE1-CB 4.23Å; F665-V674 HydrophobicContact CE1-CG2 3.55Å; F665-V674 HydrophobicContact CZ-CG2 3.76Å; V674-M676 HydrophobicContact CG1-SD 4.28Å; V674-M676 PolarHBondContact O-N 3.09Å; V674-W805 HydrophobicContact CG1-CH2 4.41Å; V674-W805 HydrophobicContact CG2-CH2 4.34Å; V674-L807 HydrophobicContact CG2-CD1 3.44Å; V674-L807 VanDerWaalsContact CG2-CD1 3.44Å
675S80.4Confident77.1Confident16 Ų1637.7 Ų37.711%0.11219%0.186CC..EExtended strand (participates in β ladder)trans-67.7122.7171.8-171.80000110.3
676M78.7Confident77.1Confident5 Ų539.4 Ų39.43%0.02519%0.193CC..EExtended strand (participates in β ladder)trans-112.8154.3179.2-62.4-61.2-47.300109F661 R663 V674 Y689 R884 L885F661-M676 HydrophobicContact CB-CB 4.26Å; F661-M676 HydrophobicContact CD1-CB 3.66Å; F661-M676 HydrophobicContact CD1-CG 4.38Å; F661-M676 HydrophobicContact CE1-CB 4.48Å; F661-M676 HydrophobicContact CG-CB 4.32Å; F661-M676 PolarHBondContact O-N 3.49Å; R663-M676 HydrophobicContact CB-CG 3.6Å; R663-M676 HydrophobicContact CB-SD 3.75Å; R663-M676 VanDerWaalsContact CZ-CE 3.43Å; R663-M676 PolarHBondContact NH1-SD 3.28Å; R663-M676 VanDerWaalsContact NH1-SD 3.43Å; V674-M676 HydrophobicContact CG1-SD 4.28Å; V674-M676 PolarHBondContact O-N 3.09Å; M676-Y689 HydrophobicContact CG-CE1 4.32Å; M676-R884 WeakPolarHBondContact CE-O 3.3Å; M676-R884 VanDerWaalsContact SD-O 3.33Å; M676-L885 HydrophobicContact CE-CD2 4.31Å
677P72.4Confident77.6Confident9 Ų941.2 Ų41.26%0.05820%0.197CC..  trans-75.9153.5170.2-10.831000111T679 S682 R884 L885 F916P677-T679 VanDerWaalsContact C-N 3.35Å; P677-T679 HydrophobicContact CB-CG2 4.49Å; P677-T679 PolarHBondContact O-N 3.01Å; P677-S682 PolarHBondContact O-OG 3.23Å; P677-R884 HydrophobicContact CG-CB 3.57Å; P677-L885 HydrophobicContact CB-CD2 4.38Å; P677-L885 VanDerWaalsContact CD-CD2 3.49Å; P677-L885 HydrophobicContact CG-CD2 3.66Å; P677-L885 HydrophobicContact CG-CG 3.84Å; P677-F916 HydrophobicContact CB-CD2 4Å; P677-F916 HydrophobicContact CB-CE1 4.03Å; P677-F916 HydrophobicContact CB-CE2 3.19Å; P677-F916 HydrophobicContact CB-CZ 3.23Å; P677-F916 HydrophobicContact CG-CE1 3.87Å; P677-F916 HydrophobicContact CG-CE2 3.98Å; P677-F916 HydrophobicContact CG-CZ 3.51Å
678L77.1Confident78.6Confident49 Ų4937.4 Ų37.426%0.25717%0.174SC..SBendtrans-76.381.5-179.5-167.269.5000110.6P659 F661 L691 I746P659-L678 HydrophobicContact CB-CD1 4.29Å; P659-L678 HydrophobicContact CB-CD2 3.96Å; P659-L678 HydrophobicContact CG-CD2 4.14Å; F661-L678 HydrophobicContact CB-CD1 4.28Å; L678-L691 HydrophobicContact CD1-CD1 3.47Å; L678-L691 VanDerWaalsContact CD1-CD1 3.47Å; L678-I746 HydrophobicContact CD1-CG2 4.3Å; L678-I746 HydrophobicContact CD2-CG2 4.41Å
679T75.3Confident80Confident7 Ų730.6 Ų30.64%0.04314%0.141CC..SBendtrans-152.5143.4177.1177.20000110.6P677 L681 S682 I747 L885 W912 F916P677-T679 VanDerWaalsContact C-N 3.35Å; P677-T679 HydrophobicContact CB-CG2 4.49Å; P677-T679 PolarHBondContact O-N 3.01Å; T679-L681 HydrophobicContact CG2-CB 4.26Å; T679-L681 PolarHBondContact O-N 2.74Å; T679-L681 VanDerWaalsContact O-N 3.09Å; T679-L681 PolarHBondContact OG1-N 2.92Å; T679-S682 VanDerWaalsContact O-CB 3.24Å; T679-S682 WeakPolarHBondContact O-CB 3.34Å; T679-S682 PolarHBondContact O-N 2.96Å; T679-I747 CarbonylContact C-O 3.46Å; T679-I747 VanDerWaalsContact CA-O 3.26Å; T679-I747 WeakPolarHBondContact CA-O 3.49Å; T679-L885 HydrophobicContact CG2-CD2 3.97Å; T679-W912 HydrophobicContact CG2-CZ2 4.32Å; T679-F916 HydrophobicContact CG2-CZ 4.29Å
680H76.2Confident81.4Confident34 Ų3421.4 Ų21.416%0.15710%0.102CC..G310 helixtrans-56.4-24.8175.268.2-88.1000113.1S682 L683 W744 I747H680-S682 PolarHBondContact O-N 2.87Å; H680-L683 WeakPolarHBondContact O-CB 3.42Å; H680-L683 PolarHBondContact O-N 2.89Å; H680-W744 HydrophobicContact CB-CZ3 4Å; H680-I747 HydrophobicContact CB-CG2 4.31Å; H680-I747 PolarHBondContact N-O 3.24Å; H680-I747 VanDerWaalsContact N-O 3.13Å
681L75.2Confident82.5Confident25 Ų2518.3 Ų18.313%0.1319%0.09CC..G310 helixtrans-71.2-11.2176.9-57.6174.2000113.3T679 L683 F800 F892 W912T679-L681 HydrophobicContact CG2-CB 4.26Å; T679-L681 PolarHBondContact O-N 2.74Å; T679-L681 VanDerWaalsContact O-N 3.09Å; T679-L681 PolarHBondContact OG1-N 2.92Å; L681-L683 VanDerWaalsContact C-N 3.31Å; L681-F800 HydrophobicContact CB-CE2 4.47Å; L681-F800 HydrophobicContact CD2-CE2 3.7Å; L681-F800 HydrophobicContact CD2-CZ 3.93Å; L681-F892 HydrophobicContact CD1-CE1 3.7Å; L681-F892 HydrophobicContact CD1-CZ 3.5Å; L681-W912 HydrophobicContact CD1-CH2 4.33Å
682S77.9Confident83.1Confident1 Ų118 Ų181%0.0079%0.089CC..G310 helixtrans-73.7-20.2170.8-71.80000113.1R663 P677 T679 H680 Y689 L885R663-S682 PolarHBondContact NH2-O 3.08Å; P677-S682 PolarHBondContact O-OG 3.23Å; T679-S682 VanDerWaalsContact O-CB 3.24Å; T679-S682 WeakPolarHBondContact O-CB 3.34Å; T679-S682 PolarHBondContact O-N 2.96Å; H680-S682 PolarHBondContact O-N 2.87Å; S682-Y689 WeakPolarHBondContact O-CE1 3.13Å; S682-Y689 PolarHBondContact O-OH 3.46Å; S682-L885 VanDerWaalsContact OG-CD2 3.26Å; S682-L885 WeakPolarHBondContact OG-CD2 3.38Å
683L83.6Confident83.4Confident8 Ų814.8 Ų14.84%0.0427%0.074CC..  trans-74.1143.3-175.2-67.7174.1000113.1F661 H680 L681 Y689 W700 F743 W744 I747F661-L683 HydrophobicContact CE1-CD2 4.31Å; F661-L683 HydrophobicContact CZ-CD2 3.72Å; H680-L683 WeakPolarHBondContact O-CB 3.42Å; H680-L683 PolarHBondContact O-N 2.89Å; L681-L683 VanDerWaalsContact C-N 3.31Å; L683-Y689 HydrophobicContact CD2-CD2 3.99Å; L683-Y689 HydrophobicContact CD2-CE2 4.27Å; L683-Y689 HydrophobicContact CD2-CG 4.16Å; L683-W700 HydrophobicContact CB-CH2 4.37Å; L683-W700 HydrophobicContact CB-CZ2 4.43Å; L683-W700 HydrophobicContact CD1-CZ2 4.39Å; L683-W700 HydrophobicContact CD2-CD2 3.7Å; L683-W700 HydrophobicContact CD2-CE3 3.88Å; L683-W700 HydrophobicContact CD2-CG 4.05Å; L683-W700 HydrophobicContact CD2-CH2 4.38Å; L683-W700 HydrophobicContact CD2-CZ2 4.27Å; L683-W700 HydrophobicContact CD2-CZ3 4.2Å; L683-F743 HydrophobicContact CD1-CE1 4.11Å; L683-F743 HydrophobicContact CD1-CZ 4.14Å; L683-F743 HydrophobicContact CD2-CZ 4.21Å; L683-W744 HydrophobicContact CD1-CH2 4.25Å; L683-W744 HydrophobicContact CD1-CZ3 4.36Å; L683-I747 HydrophobicContact CD1-CD1 3.97Å; L683-I747 HydrophobicContact CD2-CD1 4.15Å; L683-I747 HydrophobicContact CG-CD1 3.9Å
684D81.7Confident83.4Confident3 Ų316.5 Ų16.52%0.0168%0.082CC..  trans-153.2126.8178.4175.7-39.4000108.9K686 F687 Y689 W700 I801D684-K686 PolarHBondContact O-N 3.38Å; D684-K686 WeakPolarHBondContact OD1-CB 3.27Å; D684-K686 WeakPolarHBondContact OD1-CE 3.23Å; D684-K686 PolarHBondContact OD1-N 2.89Å; D684-K686 IonicContact OD1-NZ 2.67Å; D684-K686 WeakPolarHBondContact OD2-CE 3.35Å; D684-K686 IonicContact OD2-NZ 3.9Å; D684-K686 PolarHBondContact OD2-NZ 2.92Å; D684-F687 HydrophobicContact CB-CD2 4.06Å; D684-F687 PolarHBondContact O-N 2.85Å; D684-F687 VanDerWaalsContact O-N 3.07Å; D684-Y689 WeakPolarHBondContact CB-OH 3.24Å; D684-Y689 PolarHBondContact N-OH 2.83Å; D684-Y689 VanDerWaalsContact N-OH 3.14Å; D684-W700 WeakPolarHBondContact O-CZ3 3.23Å; D684-I801 HydrophobicContact CB-CD1 4.05Å; D684-I801 WeakPolarHBondContact OD2-CD1 3.26Å
685S87.3Confident83.6Confident6 Ų616.7 Ų16.74%0.0428%0.084CC..THydrogen-bonded Turntrans-53.2-23.4-177.9-64.20000115.4F687 G702 K703 N704 S705 E736S685-F687 VanDerWaalsContact C-N 3.27Å; S685-F687 PolarHBondContact O-N 3.37Å; S685-G702 CarbonylContact O-C 3.02Å; S685-G702 WeakPolarHBondContact O-CA 3.42Å; S685-K703 PolarHBondContact O-N 3.38Å; S685-N704 CarbonylContact O-C 3.53Å; S685-N704 VanDerWaalsContact O-CA 3.31Å; S685-N704 WeakPolarHBondContact O-CA 3.36Å; S685-N704 WeakPolarHBondContact O-CB 3.49Å; S685-N704 PolarHBondContact O-N 3.02Å; S685-S705 PolarHBondContact O-N 2.62Å; S685-S705 VanDerWaalsContact O-N 3.14Å; S685-E736 WeakPolarHBondContact CA-OE2 3.46Å; S685-E736 WeakPolarHBondContact CB-OE2 3.44Å; S685-E736 PolarHBondContact OG-OE1 2.83Å; S685-E736 VanDerWaalsContact OG-OE1 3.05Å; S685-E736 PolarHBondContact OG-OE2 3.28Å
686K84.3Confident84.1Confident68 Ų6818.3 Ų18.330%0.2969%0.09SC..THydrogen-bonded Turntrans-77.4-9.2-179.3-65.9158-66-1740113.1D684 N704 S705 D799D684-K686 PolarHBondContact O-N 3.38Å; D684-K686 WeakPolarHBondContact OD1-CB 3.27Å; D684-K686 WeakPolarHBondContact OD1-CE 3.23Å; D684-K686 PolarHBondContact OD1-N 2.89Å; D684-K686 IonicContact OD1-NZ 2.67Å; D684-K686 WeakPolarHBondContact OD2-CE 3.35Å; D684-K686 IonicContact OD2-NZ 3.9Å; D684-K686 PolarHBondContact OD2-NZ 2.92Å; K686-N704 HydrophobicContact CG-CB 4.38Å; K686-S705 WeakPolarHBondContact O-CA 3.31Å; K686-D799 IonicContact NZ-OD1 3.07Å; K686-D799 PolarHBondContact NZ-OD1 3.4Å
687F88.4Confident84.8Confident53 Ų5318.1 Ų18.123%0.2329%0.089CC..SBendtrans-127.1164-171.6-60.7-70.3000113.4R663 F665 D684 S685 Y689 G702 S705 I801R663-F687 HydrophobicContact CG-CB 4.18Å; R663-F687 HydrophobicContact CG-CG 4.25Å; F665-F687 HydrophobicContact CB-CD1 3.68Å; F665-F687 HydrophobicContact CB-CE1 3.77Å; F665-F687 HydrophobicContact CG-CD1 4.49Å; F665-F687 HydrophobicContact CG-CE1 4.34Å; D684-F687 HydrophobicContact CB-CD2 4.06Å; D684-F687 PolarHBondContact O-N 2.85Å; D684-F687 VanDerWaalsContact O-N 3.07Å; S685-F687 VanDerWaalsContact C-N 3.27Å; S685-F687 PolarHBondContact O-N 3.37Å; F687-Y689 HydrophobicContact CB-CD2 4.38Å; F687-Y689 HydrophobicContact CB-CE2 3.68Å; F687-G702 WeakPolarHBondContact O-CA 3.31Å; F687-G702 PolarHBondContact O-N 3.2Å; F687-G702 VanDerWaalsContact O-N 3.16Å; F687-S705 VanDerWaalsContact C-CB 3.47Å; F687-S705 WeakPolarHBondContact O-CB 2.58Å; F687-I801 HydrophobicContact CD2-CD1 3.93Å; F687-I801 HydrophobicContact CE2-CD1 3.57Å
688S91.5Very high85.8Confident0 Ų017.8 Ų17.80%09%0.087CC..EExtended strand (participates in β ladder)trans-104.2153.7165-54.50000108.5L664 W700 S705L664-S688 WeakPolarHBondContact CA-O 3.24Å; L664-S688 WeakPolarHBondContact CB-O 3.35Å; L664-S688 PolarHBondContact N-O 3.06Å; L664-S688 PolarHBondContact O-N 2.9Å; S688-W700 CarbonylContact C-O 3.53Å; S688-W700 VanDerWaalsContact CA-O 3.26Å; S688-W700 WeakPolarHBondContact CA-O 3.38Å; S688-S705 PolarHBondContact OG-OG 3.17Å
689Y93.1Very high86.7Confident0 Ų015.6 Ų15.60%08%0.075CC..EExtended strand (participates in β ladder)trans-134.2144.7179.5-64.3-109.1000110.2F661 Y662 R663 M676 S682 L683 D684 F687 L699 W700F661-Y689 HydrophobicContact CD1-CD1 4.26Å; F661-Y689 AromaticContact CE1-CD1 3.4Å; F661-Y689 HydrophobicContact CE1-CD1 3.4Å; F661-Y689 AromaticContact CE1-CE1 3.94Å; F661-Y689 HydrophobicContact CE1-CE1 3.94Å; F661-Y689 HydrophobicContact CE1-CG 4.12Å; F661-Y689 HydrophobicContact CE2-CD1 4.27Å; F661-Y689 HydrophobicContact CE2-CG 4.34Å; F661-Y689 VanDerWaalsContact CZ-CB 3.47Å; F661-Y689 AromaticContact CZ-CD1 3.4Å; F661-Y689 HydrophobicContact CZ-CD1 3.4Å; F661-Y689 VanDerWaalsContact CZ-CD1 3.4Å; F661-Y689 HydrophobicContact CZ-CE1 4.29Å; F661-Y689 AromaticContact CZ-CG 3.63Å; F661-Y689 HydrophobicContact CZ-CG 3.63Å; Y662-Y689 CarbonylContact O-C 3.47Å; Y662-Y689 WeakPolarHBondContact O-CA 3.35Å; R663-Y689 HydrophobicContact CB-CD1 3.89Å; R663-Y689 HydrophobicContact CB-CE1 3.66Å; R663-Y689 HydrophobicContact CG-CD1 4.25Å; R663-Y689 HydrophobicContact CG-CE1 3.73Å; R663-Y689 PolarHBondContact NE-OH 3.38Å; R663-Y689 PolarHBondContact NH2-OH 3.32Å; M676-Y689 HydrophobicContact CG-CE1 4.32Å; S682-Y689 WeakPolarHBondContact O-CE1 3.13Å; S682-Y689 PolarHBondContact O-OH 3.46Å; L683-Y689 HydrophobicContact CD2-CD2 3.99Å; L683-Y689 HydrophobicContact CD2-CE2 4.27Å; L683-Y689 HydrophobicContact CD2-CG 4.16Å; D684-Y689 WeakPolarHBondContact CB-OH 3.24Å; D684-Y689 PolarHBondContact N-OH 2.83Å; D684-Y689 VanDerWaalsContact N-OH 3.14Å; F687-Y689 HydrophobicContact CB-CD2 4.38Å; F687-Y689 HydrophobicContact CB-CE2 3.68Å; Y689-L699 CarbonylContact O-C 3.42Å; Y689-L699 WeakPolarHBondContact O-CA 3.46Å; Y689-W700 AromaticContact CD2-CE3 3.62Å; Y689-W700 HydrophobicContact CD2-CE3 3.62Å; Y689-W700 AromaticContact CD2-CZ3 3.9Å; Y689-W700 HydrophobicContact CD2-CZ3 3.9Å; Y689-W700 HydrophobicContact CE2-CE3 4.13Å; Y689-W700 AromaticContact CE2-CZ3 3.92Å; Y689-W700 HydrophobicContact CE2-CZ3 3.92Å; Y689-W700 PolarHBondContact N-O 3Å; Y689-W700 PolarHBondContact O-N 2.79Å
690L94Very high87.7Confident0 Ų015.4 Ų15.40%07%0.073CC..EExtended strand (participates in β ladder)trans-111.5116.6170.1175.861.5000108.5Y662 L664 L697 Y698 L716 A717 I720Y662-L690 WeakPolarHBondContact CB-O 3.5Å; Y662-L690 PolarHBondContact N-O 3.26Å; Y662-L690 PolarHBondContact O-N 3.3Å; L664-L690 HydrophobicContact CD1-CB 4.05Å; L664-L690 HydrophobicContact CG-CB 4.43Å; L690-L697 HydrophobicContact CD1-CB 4.28Å; L690-Y698 WeakPolarHBondContact CA-O 3.24Å; L690-L716 HydrophobicContact CD2-CD2 3.88Å; L690-L716 HydrophobicContact CD2-CG 4.08Å; L690-A717 HydrophobicContact CD1-CB 3.95Å; L690-I720 HydrophobicContact CD2-CD1 3.71Å
691L93.7Very high88.5Confident0 Ų015.2 Ų15.20%07%0.073CC..EExtended strand (participates in β ladder)trans-91.9115.9165.4172.858.5000108.2P659 F661 L678 L697 Y698 F743 I746P659-L691 HydrophobicContact CB-CD1 4.21Å; F661-L691 HydrophobicContact CD2-CB 3.74Å; F661-L691 HydrophobicContact CD2-CD1 4.03Å; F661-L691 HydrophobicContact CD2-CG 4.44Å; F661-L691 HydrophobicContact CE2-CB 3.97Å; L678-L691 HydrophobicContact CD1-CD1 3.47Å; L678-L691 VanDerWaalsContact CD1-CD1 3.47Å; L691-L697 CarbonylContact O-C 3.54Å; L691-L697 WeakPolarHBondContact O-CA 3.36Å; L691-Y698 HydrophobicContact CB-CD2 4.49Å; L691-Y698 HydrophobicContact CD2-CD2 3.9Å; L691-Y698 HydrophobicContact CD2-CG 4.44Å; L691-Y698 HydrophobicContact CG-CD2 4.21Å; L691-Y698 PolarHBondContact N-O 2.84Å; L691-Y698 PolarHBondContact O-N 2.83Å; L691-F743 HydrophobicContact CD2-CD2 4.23Å; L691-F743 HydrophobicContact CD2-CE2 4.45Å; L691-I746 HydrophobicContact CD1-CG2 4.2Å; L691-I746 HydrophobicContact CD2-CB 3.92Å; L691-I746 HydrophobicContact CD2-CD1 4.18Å; L691-I746 HydrophobicContact CD2-CG2 3.84Å; L691-I746 HydrophobicContact CG-CG2 4.47Å
692D90.9Very high89.2Confident8 Ų814 Ų144%0.0437%0.067CC..EExtended strand (participates in β ladder)trans-99.7100.5173.9179.9-1.6000109.1P659 R660 Y662 Q694 L697 R725P659-D692 CarbonylContact C-O 3.45Å; P659-D692 VanDerWaalsContact CA-O 3.26Å; P659-D692 WeakPolarHBondContact CA-O 3.47Å; R660-D692 PolarHBondContact N-O 3.4Å; R660-D692 PolarHBondContact O-N 2.8Å; Y662-D692 HydrophobicContact CD2-CB 4.49Å; Y662-D692 HydrophobicContact CE2-CB 4.18Å; D692-Q694 PolarHBondContact OD1-N 2.95Å; D692-L697 HydrophobicContact CB-CD2 4.06Å; D692-L697 WeakPolarHBondContact OD1-CD2 2.67Å; D692-R725 IonicContact OD1-CZ 3.26Å; D692-R725 IonicContact OD1-NH1 3.16Å; D692-R725 PolarHBondContact OD1-NH1 3.33Å; D692-R725 IonicContact OD1-NH2 3.68Å; D692-R725 PolarHBondContact OD1-NH2 3.04Å; D692-R725 IonicContact OD2-CZ 3.5Å; D692-R725 IonicContact OD2-NH1 3.92Å; D692-R725 IonicContact OD2-NH2 3.91Å; D692-R725 PolarHBondContact OD2-NH2 3.5Å
693A87.5Confident89.6Confident0 Ų021.7 Ų21.70%010%0.1CC..EExtended strand (participates in β ladder)trans-111.344.7177.400000111.1P659 S695 H696 I746 P753P659-A693 HydrophobicContact CB-CB 4.13Å; A693-S695 VanDerWaalsContact C-N 3.34Å; A693-S695 PolarHBondContact O-N 3.27Å; A693-H696 CarbonylContact C-O 3.4Å; A693-H696 WeakPolarHBondContact CA-O 2.83Å; A693-H696 PolarHBondContact N-O 3.34Å; A693-H696 PolarHBondContact O-N 2.8Å; A693-I746 HydrophobicContact CB-CD1 4.14Å; A693-I746 HydrophobicContact CB-CG2 4.44Å; A693-P753 HydrophobicContact CB-CG 3.76Å
694Q82.8Confident89.7Confident45 Ų4526.6 Ų26.621%0.2113%0.126CC..THydrogen-bonded Turntrans60.1-73.8-180-151.9-162.149.300115.3V657 D692 R725 A729 L756V657-Q694 HydrophobicContact CG1-CB 4.07Å; D692-Q694 PolarHBondContact OD1-N 2.95Å; Q694-R725 WeakPolarHBondContact O-CD 3.37Å; Q694-R725 PolarHBondContact O-NH1 3.3Å; Q694-A729 WeakPolarHBondContact O-CB 3.31Å; Q694-L756 HydrophobicContact CG-CD1 4.08Å; Q694-L756 HydrophobicContact CG-CG 4.37Å
695S84.8Confident89.9Confident14 Ų1426.8 Ų26.810%0.09813%0.128CC..THydrogen-bonded Turntrans-87-17-18053.80000113.7A693 A729 S730 A754A693-S695 VanDerWaalsContact C-N 3.34Å; A693-S695 PolarHBondContact O-N 3.27Å; S695-A729 CarbonylContact O-C 3.51Å; S695-A729 VanDerWaalsContact O-CA 3.26Å; S695-A729 WeakPolarHBondContact O-CA 3.42Å; S695-S730 PolarHBondContact O-N 3.28Å; S695-S730 PolarHBondContact O-OG 3.07Å; S695-A754 WeakPolarHBondContact CB-O 3.1Å; S695-A754 PolarHBondContact OG-O 2.97Å
696H89.8Confident89.8Confident50 Ų5034.1 Ų34.123%0.23116%0.155CC..EExtended strand (participates in β ladder)trans-125.7134.9172.9-68.2-113.3000110.8A693 Y698 S730 H732 P753A693-H696 CarbonylContact C-O 3.4Å; A693-H696 WeakPolarHBondContact CA-O 2.83Å; A693-H696 PolarHBondContact N-O 3.34Å; A693-H696 PolarHBondContact O-N 2.8Å; H696-Y698 HydrophobicContact CB-CD2 4.18Å; H696-Y698 HydrophobicContact CB-CE2 3.37Å; H696-Y698 AromaticContact ND1-CZ 3.98Å; H696-Y698 PolarHBondContact ND1-OH 3.43Å; H696-S730 PolarHBondContact ND1-OG 2.69Å; H696-H732 AromaticContact CE1-NE2 3.99Å; H696-H732 AromaticContact ND1-CD2 3.84Å; H696-H732 AromaticContact ND1-NE2 3.19Å; H696-H732 PolarHBondContact ND1-NE2 2.78Å; H696-H732 VanDerWaalsContact ND1-NE2 3.19Å; H696-P753 HydrophobicContact CB-CG 4.46Å
697L92.7Very high89.9Confident0 Ų035.2 Ų35.20%017%0.169CC..EExtended strand (participates in β ladder)trans-118114.6174.5-59.6-179000108.9L690 L691 D692 A717 I720 A729 S730 I731 H732L690-L697 HydrophobicContact CD1-CB 4.28Å; L691-L697 CarbonylContact O-C 3.54Å; L691-L697 WeakPolarHBondContact O-CA 3.36Å; D692-L697 HydrophobicContact CB-CD2 4.06Å; D692-L697 WeakPolarHBondContact OD1-CD2 2.67Å; L697-A717 HydrophobicContact CB-CB 4.47Å; L697-A717 HydrophobicContact CD1-CB 4.28Å; L697-A717 VanDerWaalsContact CD1-O 3.27Å; L697-A717 WeakPolarHBondContact CD1-O 3.23Å; L697-I720 HydrophobicContact CD1-CB 4.08Å; L697-I720 HydrophobicContact CD1-CG2 3.93Å; L697-I720 HydrophobicContact CD2-CG2 4.2Å; L697-A729 HydrophobicContact CD1-CB 4.43Å; L697-A729 HydrophobicContact CG-CB 4.28Å; L697-S730 PolarHBondContact N-O 3.26Å; L697-I731 HydrophobicContact CB-CG1 4.34Å; L697-I731 HydrophobicContact CD1-CG1 4.32Å; L697-I731 WeakPolarHBondContact O-CA 3.46Å; L697-H732 PolarHBondContact O-N 3.18Å
698Y95.2Very high89.5Confident3 Ų334.4 Ų34.41%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-107.2118.9179.2-55.4-102000110.6L690 L691 H696 H732 E734 A742 F743 I746L690-Y698 WeakPolarHBondContact CA-O 3.24Å; L691-Y698 HydrophobicContact CB-CD2 4.49Å; L691-Y698 HydrophobicContact CD2-CD2 3.9Å; L691-Y698 HydrophobicContact CD2-CG 4.44Å; L691-Y698 HydrophobicContact CG-CD2 4.21Å; L691-Y698 PolarHBondContact N-O 2.84Å; L691-Y698 PolarHBondContact O-N 2.83Å; H696-Y698 HydrophobicContact CB-CD2 4.18Å; H696-Y698 HydrophobicContact CB-CE2 3.37Å; H696-Y698 AromaticContact ND1-CZ 3.98Å; H696-Y698 PolarHBondContact ND1-OH 3.43Å; Y698-H732 HydrophobicContact CD1-CB 3.46Å; Y698-H732 VanDerWaalsContact CD1-CB 3.46Å; Y698-H732 AromaticContact CD1-CG 3.85Å; Y698-H732 HydrophobicContact CE1-CB 3.85Å; Y698-H732 AromaticContact CE1-CD2 3.74Å; Y698-H732 AromaticContact CE1-CG 3.71Å; Y698-H732 HydrophobicContact CG-CB 4.19Å; Y698-H732 AromaticContact CZ-CD2 3.99Å; Y698-E734 HydrophobicContact CD1-CG 3.98Å; Y698-E734 VanDerWaalsContact CD1-OE1 3.31Å; Y698-E734 WeakPolarHBondContact CD1-OE1 3.21Å; Y698-A742 HydrophobicContact CE1-CB 4.27Å; Y698-A742 WeakPolarHBondContact OH-CB 3.46Å; Y698-F743 HydrophobicContact CD1-CB 3.97Å; Y698-F743 HydrophobicContact CD1-CD2 4.34Å; Y698-F743 HydrophobicContact CE1-CB 4.32Å; Y698-F743 HydrophobicContact CG-CD2 4.15Å; Y698-I746 HydrophobicContact CD2-CD1 4.12Å; Y698-I746 HydrophobicContact CE2-CD1 3.33Å
699L95.2Very high89.3Confident2 Ų234.7 Ų34.71%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-9598.3172.1-178.374000109.7L664 Y689 I701 R714 H732 E734L664-L699 HydrophobicContact CD1-CD1 3.93Å; Y689-L699 CarbonylContact O-C 3.42Å; Y689-L699 WeakPolarHBondContact O-CA 3.46Å; L699-I701 HydrophobicContact CD2-CD1 4.25Å; L699-I701 HydrophobicContact CD2-CG1 4.37Å; L699-I701 HydrophobicContact CG-CG1 4.29Å; L699-R714 HydrophobicContact CD2-CB 3.74Å; L699-H732 PolarHBondContact N-O 3.15Å; L699-E734 PolarHBondContact O-N 3.26Å
700W95Very high89.1Confident4 Ų437 Ų372%0.01518%0.179CC..EExtended strand (participates in β ladder)trans-79.5131.3173.7-172.693.1000111.4L683 D684 S688 Y689 G702 E734 E736 E739 F743L683-W700 HydrophobicContact CB-CH2 4.37Å; L683-W700 HydrophobicContact CB-CZ2 4.43Å; L683-W700 HydrophobicContact CD1-CZ2 4.39Å; L683-W700 HydrophobicContact CD2-CD2 3.7Å; L683-W700 HydrophobicContact CD2-CE3 3.88Å; L683-W700 HydrophobicContact CD2-CG 4.05Å; L683-W700 HydrophobicContact CD2-CH2 4.38Å; L683-W700 HydrophobicContact CD2-CZ2 4.27Å; L683-W700 HydrophobicContact CD2-CZ3 4.2Å; D684-W700 WeakPolarHBondContact O-CZ3 3.23Å; S688-W700 CarbonylContact C-O 3.53Å; S688-W700 VanDerWaalsContact CA-O 3.26Å; S688-W700 WeakPolarHBondContact CA-O 3.38Å; Y689-W700 AromaticContact CD2-CE3 3.62Å; Y689-W700 HydrophobicContact CD2-CE3 3.62Å; Y689-W700 AromaticContact CD2-CZ3 3.9Å; Y689-W700 HydrophobicContact CD2-CZ3 3.9Å; Y689-W700 HydrophobicContact CE2-CE3 4.13Å; Y689-W700 AromaticContact CE2-CZ3 3.92Å; Y689-W700 HydrophobicContact CE2-CZ3 3.92Å; Y689-W700 PolarHBondContact N-O 3Å; Y689-W700 PolarHBondContact O-N 2.79Å; W700-G702 VanDerWaalsContact CE3-N 3.3Å; W700-G702 VanDerWaalsContact CZ3-N 3.3Å; W700-E734 CarbonylContact C-O 3.47Å; W700-E734 VanDerWaalsContact CA-O 3.28Å; W700-E734 WeakPolarHBondContact CA-O 3.48Å; W700-E734 HydrophobicContact CB-CB 4.4Å; W700-E736 HydrophobicContact CH2-CB 4.39Å; W700-E736 HydrophobicContact CH2-CG 4.33Å; W700-E736 HydrophobicContact CZ2-CB 3.87Å; W700-E736 HydrophobicContact CZ2-CG 3.79Å; W700-E739 PolarHBondContact NE1-OE1 3.12Å; W700-F743 HydrophobicContact CB-CE2 3.9Å; W700-F743 HydrophobicContact CB-CZ 3.82Å; W700-F743 AromaticContact CD1-CE1 3.53Å; W700-F743 AromaticContact CD1-CZ 3.43Å; W700-F743 VanDerWaalsContact CD1-CZ 3.43Å; W700-F743 HydrophobicContact CG-CE1 4.32Å; W700-F743 HydrophobicContact CG-CE2 4.35Å; W700-F743 AromaticContact CG-CZ 3.78Å; W700-F743 HydrophobicContact CG-CZ 3.78Å
701I93.9Very high88.7Confident30 Ų3040 Ų4015%0.15420%0.197CC..EExtended strand (participates in β ladder)trans-115.799.7-175.6-65.5-179.2000109.7L699 Q710 I733 E734 E736L699-I701 HydrophobicContact CD2-CD1 4.25Å; L699-I701 HydrophobicContact CD2-CG1 4.37Å; L699-I701 HydrophobicContact CG-CG1 4.29Å; I701-Q710 HydrophobicContact CD1-CB 4.13Å; I701-Q710 HydrophobicContact CD1-CG 4.26Å; I701-Q710 HydrophobicContact CG1-CB 4.48Å; I701-Q710 HydrophobicContact CG1-CG 4.26Å; I701-Q710 VanDerWaalsContact CG2-CD 3.47Å; I701-Q710 HydrophobicContact CG2-CG 3.8Å; I701-I733 HydrophobicContact CD1-CG2 3.6Å; I701-I733 HydrophobicContact CG1-CG2 4.38Å; I701-E734 PolarHBondContact N-O 2.99Å; I701-E736 PolarHBondContact O-N 2.81Å
702G89.1Confident88.3Confident0 Ų040.5 Ų40.50%020%0.2CC..  trans-62142.4173.200000112S685 F687 W700 N704 S705S685-G702 CarbonylContact O-C 3.02Å; S685-G702 WeakPolarHBondContact O-CA 3.42Å; F687-G702 WeakPolarHBondContact O-CA 3.31Å; F687-G702 PolarHBondContact O-N 3.2Å; F687-G702 VanDerWaalsContact O-N 3.16Å; W700-G702 VanDerWaalsContact CE3-N 3.3Å; W700-G702 VanDerWaalsContact CZ3-N 3.3Å; G702-N704 PolarHBondContact O-N 3.49Å; G702-N704 VanDerWaalsContact O-N 3.14Å; G702-S705 WeakPolarHBondContact O-CB 2.79Å; G702-S705 PolarHBondContact O-N 2.94Å; G702-S705 PolarHBondContact O-OG 2.87Å
703K87.4Confident88.2Confident161 Ų16140.1 Ų40.170%0.720%0.197SC*.THydrogen-bonded Turntrans-59.8-27.2-173.2-177.6174.9177.4178.70114.6S685 E736S685-K703 PolarHBondContact O-N 3.38Å; K703-E736 HydrophobicContact CB-CB 4.29Å; K703-E736 WeakPolarHBondContact CB-OE2 3.11Å; K703-E736 PolarHBondContact N-OE2 2.72Å
704N84.9Confident88.4Confident111 Ų11145.8 Ų45.859%0.59422%0.219SC*.THydrogen-bonded Turntrans-105.56.5178.9-59.6-25.5000112.3S685 K686 G702S685-N704 CarbonylContact O-C 3.53Å; S685-N704 VanDerWaalsContact O-CA 3.31Å; S685-N704 WeakPolarHBondContact O-CA 3.36Å; S685-N704 WeakPolarHBondContact O-CB 3.49Å; S685-N704 PolarHBondContact O-N 3.02Å; K686-N704 HydrophobicContact CG-CB 4.38Å; G702-N704 PolarHBondContact O-N 3.49Å; G702-N704 VanDerWaalsContact O-N 3.14Å
705S86Confident88.6Confident7 Ų746.4 Ų46.45%0.04922%0.223CC..SBendtrans-69.1144179.468.90000111.7S685 K686 F687 S688 G702 Q710S685-S705 PolarHBondContact O-N 2.62Å; S685-S705 VanDerWaalsContact O-N 3.14Å; K686-S705 WeakPolarHBondContact O-CA 3.31Å; F687-S705 VanDerWaalsContact C-CB 3.47Å; F687-S705 WeakPolarHBondContact O-CB 2.58Å; S688-S705 PolarHBondContact OG-OG 3.17Å; G702-S705 WeakPolarHBondContact O-CB 2.79Å; G702-S705 PolarHBondContact O-N 2.94Å; G702-S705 PolarHBondContact O-OG 2.87Å; S705-Q710 PolarHBondContact O-NE2 3.17Å; S705-Q710 VanDerWaalsContact O-NE2 3.09Å; S705-Q710 PolarHBondContact OG-NE2 3.29Å
706R85.9Confident88.9Confident161 Ų16145.9 Ų45.961%0.60822%0.219SC*.  trans-69.6128.1-177.2-67.5177.9175.7175.4-4.4110.4G666 I708 I709 Q710G666-R706 PolarHBondContact O-NH1 3.1Å; G666-R706 VanDerWaalsContact O-NH1 3.15Å; R706-I708 VanDerWaalsContact C-N 3.26Å; R706-I708 HydrophobicContact CB-CG2 4.43Å; R706-I708 PolarHBondContact O-N 3.04Å; R706-I708 VanDerWaalsContact O-N 3.12Å; R706-I709 HydrophobicContact CB-CB 4.4Å; R706-I709 HydrophobicContact CB-CG1 3.98Å; R706-I709 WeakPolarHBondContact O-CA 3.4Å; R706-I709 WeakPolarHBondContact O-CB 3.43Å; R706-I709 PolarHBondContact O-N 3.17Å; R706-Q710 PolarHBondContact O-N 3.37Å
707P85.2Confident88.9Confident91 Ų9143.5 Ų43.559%0.59121%0.208SC*.Hα-helixtrans-52.2-39-179.2-31.136.6000114.7I709 Q710 T711P707-I709 VanDerWaalsContact C-N 3.26Å; P707-I709 PolarHBondContact O-N 3.15Å; P707-Q710 WeakPolarHBondContact O-CB 3.34Å; P707-Q710 PolarHBondContact O-N 3.48Å; P707-Q710 VanDerWaalsContact O-N 3.14Å; P707-T711 PolarHBondContact O-N 3.4Å; P707-T711 PolarHBondContact O-OG1 3.01Å; P707-T711 VanDerWaalsContact O-OG1 3.14Å
708I81.5Confident88.8Confident35 Ų3546.2 Ų46.218%0.17922%0.221CC..Hα-helixtrans-65.2-26.3176.9-168.3153.1000113.8E668 R706 K712 F948E668-I708 HydrophobicContact CB-CD1 3.91Å; E668-I708 HydrophobicContact CG-CD1 4.14Å; R706-I708 VanDerWaalsContact C-N 3.26Å; R706-I708 HydrophobicContact CB-CG2 4.43Å; R706-I708 PolarHBondContact O-N 3.04Å; R706-I708 VanDerWaalsContact O-N 3.12Å; I708-K712 WeakPolarHBondContact O-CG 3.27Å; I708-K712 PolarHBondContact O-N 2.99Å; I708-F948 HydrophobicContact CD1-CZ 4.17Å
709I86.5Confident88.4Confident6 Ų648.4 Ų48.43%0.03123%0.231CC..Hα-helixtrans-78.3-37.4173.3-59.7-57000110.5L664 L671 R706 P707 K712 G713L664-I709 HydrophobicContact CB-CG2 4.13Å; L664-I709 WeakPolarHBondContact O-CG2 3.16Å; L671-I709 HydrophobicContact CD1-CD1 4.2Å; L671-I709 HydrophobicContact CD1-CG2 4.26Å; R706-I709 HydrophobicContact CB-CB 4.4Å; R706-I709 HydrophobicContact CB-CG1 3.98Å; R706-I709 WeakPolarHBondContact O-CA 3.4Å; R706-I709 WeakPolarHBondContact O-CB 3.43Å; R706-I709 PolarHBondContact O-N 3.17Å; P707-I709 VanDerWaalsContact C-N 3.26Å; P707-I709 PolarHBondContact O-N 3.15Å; I709-K712 PolarHBondContact O-N 3.07Å; I709-G713 PolarHBondContact O-N 3.22Å
710Q89.3Confident88.1Confident49 Ų4948.3 Ų48.323%0.22923%0.23CC..Hα-helixtrans-58.8-49.4172.7-56167.95.500110.6I701 S705 R706 P707 K712 G713 R714I701-Q710 HydrophobicContact CD1-CB 4.13Å; I701-Q710 HydrophobicContact CD1-CG 4.26Å; I701-Q710 HydrophobicContact CG1-CB 4.48Å; I701-Q710 HydrophobicContact CG1-CG 4.26Å; I701-Q710 VanDerWaalsContact CG2-CD 3.47Å; I701-Q710 HydrophobicContact CG2-CG 3.8Å; S705-Q710 PolarHBondContact O-NE2 3.17Å; S705-Q710 VanDerWaalsContact O-NE2 3.09Å; S705-Q710 PolarHBondContact OG-NE2 3.29Å; R706-Q710 PolarHBondContact O-N 3.37Å; P707-Q710 WeakPolarHBondContact O-CB 3.34Å; P707-Q710 PolarHBondContact O-N 3.48Å; P707-Q710 VanDerWaalsContact O-N 3.14Å; Q710-K712 PolarHBondContact O-N 3.42Å; Q710-G713 PolarHBondContact O-N 2.54Å; Q710-R714 PolarHBondContact O-N 2.86Å
711T85.2Confident87.8Confident64 Ų6448.5 Ų48.539%0.39323%0.232SC..Hα-helixtrans-60.1-45.5177.1-50.10000112.1P707 R714 L715 V946P707-T711 PolarHBondContact O-N 3.4Å; P707-T711 PolarHBondContact O-OG1 3.01Å; P707-T711 VanDerWaalsContact O-OG1 3.14Å; T711-R714 PolarHBondContact O-N 3.12Å; T711-L715 HydrophobicContact CG2-CD1 4.19Å; T711-L715 WeakPolarHBondContact O-CG 3.21Å; T711-L715 PolarHBondContact O-N 3.05Å; T711-V946 HydrophobicContact CG2-CG1 4.43Å; T711-V946 HydrophobicContact CG2-CG2 3.83Å
712K85.9Confident87.4Confident10 Ų1051.8 Ų51.84%0.04325%0.253CS..Hα-helixtrans-68.5-33.7178.1-72.5-169.8-176.1-1680113.3E668 K669 L671 I708 I709 Q710 L716 L944 V946E668-K712 PolarHBondContact O-NZ 2.67Å; K669-K712 PolarHBondContact O-NZ 3.24Å; L671-K712 HydrophobicContact CB-CD 4.38Å; L671-K712 HydrophobicContact CD1-CB 4.16Å; L671-K712 HydrophobicContact CD2-CB 4.32Å; I708-K712 WeakPolarHBondContact O-CG 3.27Å; I708-K712 PolarHBondContact O-N 2.99Å; I709-K712 PolarHBondContact O-N 3.07Å; Q710-K712 PolarHBondContact O-N 3.42Å; K712-L716 WeakPolarHBondContact O-CB 3.38Å; K712-L716 PolarHBondContact O-N 2.93Å; K712-L944 HydrophobicContact CB-CD1 4.47Å; K712-L944 HydrophobicContact CD-CB 4.17Å; K712-L944 VanDerWaalsContact CE-O 3.23Å; K712-L944 WeakPolarHBondContact CE-O 3.26Å; K712-L944 HydrophobicContact CG-CB 4.16Å; K712-V946 HydrophobicContact CG-CG2 4.12Å
713G88.9Confident87.1Confident0 Ų057.9 Ų57.90%028%0.276CS..Hα-helixtrans-66.9-38.217400000112.9L664 I709 Q710 L716 A717L664-G713 VanDerWaalsContact CD1-CA 3.49Å; I709-G713 PolarHBondContact O-N 3.22Å; Q710-G713 PolarHBondContact O-N 2.54Å; G713-L716 WeakPolarHBondContact O-CB 3.37Å; G713-L716 PolarHBondContact O-N 3.41Å; G713-A717 PolarHBondContact O-N 3.34Å
714R90.9Very high86.9Confident118 Ų11853 Ų5345%0.44526%0.256SS..Hα-helixtrans-62.7-51.1171.7-178.5-180164.2138.811111.7L699 Q710 T711 L716 A717 E718L699-R714 HydrophobicContact CD2-CB 3.74Å; Q710-R714 PolarHBondContact O-N 2.86Å; T711-R714 PolarHBondContact O-N 3.12Å; R714-L716 PolarHBondContact O-N 2.88Å; R714-A717 PolarHBondContact O-N 3.1Å; R714-A717 VanDerWaalsContact O-N 3.09Å; R714-E718 IonicContact CZ-OE1 3.35Å; R714-E718 IonicContact NE-OE1 2.7Å; R714-E718 PolarHBondContact NE-OE1 2.91Å; R714-E718 IonicContact NH2-OE1 2.89Å; R714-E718 PolarHBondContact NH2-OE1 3.04Å; R714-E718 WeakPolarHBondContact O-CG 3.12Å; R714-E718 PolarHBondContact O-N 2.46Å
715L87.7Confident87Confident59 Ų5948.7 Ų48.731%0.30923%0.231SC..Hα-helixtrans-60.4-32.5177.9-71167.5000112.4T711 K719 L944 V946T711-L715 HydrophobicContact CG2-CD1 4.19Å; T711-L715 WeakPolarHBondContact O-CG 3.21Å; T711-L715 PolarHBondContact O-N 3.05Å; L715-K719 WeakPolarHBondContact O-CG 3.23Å; L715-K719 PolarHBondContact O-N 2.53Å; L715-L944 HydrophobicContact CB-CD2 3.56Å; L715-V946 HydrophobicContact CD1-CG2 4.21Å
716L89.6Confident86.8Confident2 Ų255.8 Ų55.81%0.0126%0.257CS..Hα-helixtrans-65.8-46.6171.8173.566.9000112L664 L671 I673 L690 K712 G713 R714 E718 K719 I720 Q931L664-L716 HydrophobicContact CD2-CD2 3.98Å; L671-L716 HydrophobicContact CD2-CD2 4.17Å; I673-L716 HydrophobicContact CD1-CD1 4.32Å; I673-L716 HydrophobicContact CD1-CD2 3.53Å; I673-L716 HydrophobicContact CG1-CD2 4.41Å; L690-L716 HydrophobicContact CD2-CD2 3.88Å; L690-L716 HydrophobicContact CD2-CG 4.08Å; K712-L716 WeakPolarHBondContact O-CB 3.38Å; K712-L716 PolarHBondContact O-N 2.93Å; G713-L716 WeakPolarHBondContact O-CB 3.37Å; G713-L716 PolarHBondContact O-N 3.41Å; R714-L716 PolarHBondContact O-N 2.88Å; L716-E718 VanDerWaalsContact C-N 3.33Å; L716-E718 PolarHBondContact O-N 3.36Å; L716-K719 PolarHBondContact O-N 2.82Å; L716-I720 HydrophobicContact CD1-CD1 3.96Å; L716-I720 HydrophobicContact CD1-CG1 4.37Å; L716-I720 HydrophobicContact CG-CD1 3.95Å; L716-I720 WeakPolarHBondContact O-CG1 3.31Å; L716-I720 PolarHBondContact O-N 2.98Å; L716-Q931 HydrophobicContact CD1-CB 4.08Å
717A91.5Very high86.6Confident0 Ų050.2 Ų50.20%025%0.25CC..Hα-helixtrans-62.2-41.4176.400000111.6L690 L697 G713 R714 K719 I720 S721 I731L690-A717 HydrophobicContact CD1-CB 3.95Å; L697-A717 HydrophobicContact CB-CB 4.47Å; L697-A717 HydrophobicContact CD1-CB 4.28Å; L697-A717 VanDerWaalsContact CD1-O 3.27Å; L697-A717 WeakPolarHBondContact CD1-O 3.23Å; G713-A717 PolarHBondContact O-N 3.34Å; R714-A717 PolarHBondContact O-N 3.1Å; R714-A717 VanDerWaalsContact O-N 3.09Å; A717-K719 VanDerWaalsContact C-N 3.34Å; A717-K719 PolarHBondContact O-N 3.26Å; A717-I720 PolarHBondContact O-N 3.25Å; A717-S721 PolarHBondContact O-N 2.62Å; A717-I731 HydrophobicContact CB-CD1 4.32Å; A717-I731 HydrophobicContact CB-CG2 4.04Å
718E89.1Confident86.4Confident58 Ų5850.4 Ų50.427%0.27124%0.243SC..Hα-helixtrans-60.6-41.6174.4-71.3169168.500111.2R714 L716 V722 I731R714-E718 IonicContact CZ-OE1 3.35Å; R714-E718 IonicContact NE-OE1 2.7Å; R714-E718 PolarHBondContact NE-OE1 2.91Å; R714-E718 IonicContact NH2-OE1 2.89Å; R714-E718 PolarHBondContact NH2-OE1 3.04Å; R714-E718 WeakPolarHBondContact O-CG 3.12Å; R714-E718 PolarHBondContact O-N 2.46Å; L716-E718 VanDerWaalsContact C-N 3.33Å; L716-E718 PolarHBondContact O-N 3.36Å; E718-V722 WeakPolarHBondContact O-CG2 3.22Å; E718-V722 PolarHBondContact O-N 2.56Å; E718-V722 VanDerWaalsContact O-N 3.12Å; E718-I731 HydrophobicContact CB-CD1 4.2Å; E718-I731 HydrophobicContact CG-CD1 3.63Å
719K87.8Confident86.6Confident49 Ų4948.9 Ų48.921%0.21324%0.235CC..Hα-helixtrans-65.4-42.2172.7-76.4-167.9178.5-149.70113.6L715 L716 A717 R723 Q931 E942L715-K719 WeakPolarHBondContact O-CG 3.23Å; L715-K719 PolarHBondContact O-N 2.53Å; L716-K719 PolarHBondContact O-N 2.82Å; A717-K719 VanDerWaalsContact C-N 3.34Å; A717-K719 PolarHBondContact O-N 3.26Å; K719-R723 WeakPolarHBondContact O-CB 3.47Å; K719-R723 VanDerWaalsContact O-CG 3.31Å; K719-R723 WeakPolarHBondContact O-CG 3.48Å; K719-R723 PolarHBondContact O-N 3.08Å; K719-Q931 HydrophobicContact CB-CG 4.3Å; K719-E942 PolarHBondContact NZ-O 3.13Å; K719-E942 IonicContact NZ-OE2 2.69Å; K719-E942 PolarHBondContact NZ-OE2 3.25Å
720I89.2Confident86.7Confident0 Ų050.6 Ų50.60%025%0.248CC..Hα-helixtrans-65-47.1179.1-70.2163.7000110.2L690 L697 L716 A717 R723 E724 R725 Q931 I932L690-I720 HydrophobicContact CD2-CD1 3.71Å; L697-I720 HydrophobicContact CD1-CB 4.08Å; L697-I720 HydrophobicContact CD1-CG2 3.93Å; L697-I720 HydrophobicContact CD2-CG2 4.2Å; L716-I720 HydrophobicContact CD1-CD1 3.96Å; L716-I720 HydrophobicContact CD1-CG1 4.37Å; L716-I720 HydrophobicContact CG-CD1 3.95Å; L716-I720 WeakPolarHBondContact O-CG1 3.31Å; L716-I720 PolarHBondContact O-N 2.98Å; A717-I720 PolarHBondContact O-N 3.25Å; I720-R723 PolarHBondContact O-N 2.62Å; I720-E724 HydrophobicContact CG2-CB 4.41Å; I720-E724 WeakPolarHBondContact O-CB 3.25Å; I720-E724 PolarHBondContact O-N 2.87Å; I720-R725 HydrophobicContact CG2-CG 4.44Å; I720-R725 PolarHBondContact O-N 2.78Å; I720-Q931 HydrophobicContact CD1-CB 4.43Å; I720-Q931 HydrophobicContact CG1-CB 3.74Å; I720-Q931 HydrophobicContact CG1-CG 3.71Å; I720-I932 HydrophobicContact CD1-CD1 4.03Å
721S89.3Confident86.9Confident8 Ų851 Ų516%0.05625%0.251CS..Hα-helixtrans-56.1-55.4177178.30000111.1A717 R723 R725 R726 G727 A729A717-S721 PolarHBondContact O-N 2.62Å; S721-R723 PolarHBondContact O-N 3.41Å; S721-R725 CarbonylContact O-C 3.56Å; S721-R725 VanDerWaalsContact O-CA 3.28Å; S721-R725 WeakPolarHBondContact O-CA 3.5Å; S721-R725 WeakPolarHBondContact O-CB 3.36Å; S721-R725 PolarHBondContact O-N 3.37Å; S721-R725 VanDerWaalsContact O-N 3.13Å; S721-R726 PolarHBondContact O-N 2.99Å; S721-R726 VanDerWaalsContact O-N 3.13Å; S721-G727 PolarHBondContact O-N 3.39Å; S721-A729 WeakPolarHBondContact CB-O 3.18Å; S721-A729 PolarHBondContact OG-O 2.74Å
722V85Confident87.3Confident98 Ų9850.9 Ų50.959%0.59425%0.246SC*.Hα-helixtrans-63.2-38.9-177.5173.10000112.9E718E718-V722 WeakPolarHBondContact O-CG2 3.22Å; E718-V722 PolarHBondContact O-N 2.56Å; E718-V722 VanDerWaalsContact O-N 3.12Å
723R82.5Confident87.7Confident128 Ų12854 Ų5448%0.48326%0.262SS..Hα-helixtrans-102.6-29.2-165.5-62177.7153.2-133.7-11.7115.6K719 I720 S721 E942K719-R723 WeakPolarHBondContact O-CB 3.47Å; K719-R723 VanDerWaalsContact O-CG 3.31Å; K719-R723 WeakPolarHBondContact O-CG 3.48Å; K719-R723 PolarHBondContact O-N 3.08Å; I720-R723 PolarHBondContact O-N 2.62Å; S721-R723 PolarHBondContact O-N 3.41Å; R723-E942 VanDerWaalsContact CZ-CD 3.48Å; R723-E942 IonicContact CZ-OE1 3.58Å; R723-E942 IonicContact CZ-OE2 3.95Å; R723-E942 IonicContact NE-OE2 3.65Å; R723-E942 IonicContact NH1-OE1 3.51Å; R723-E942 PolarHBondContact NH1-OE1 2.77Å; R723-E942 IonicContact NH1-OE2 3.78Å; R723-E942 PolarHBondContact NH1-OE2 3.05Å; R723-E942 IonicContact NH2-OE1 2.84Å; R723-E942 PolarHBondContact NH2-OE1 3.07Å; R723-E942 IonicContact NH2-OE2 3.82Å; R723-E942 PolarHBondContact NH2-OE2 2.82Å; R723-E942 VanDerWaalsContact NH2-OE2 3.08Å
724E83.8Confident87.9Confident58 Ų5854.5 Ų54.527%0.27126%0.264SS..Hα-helixtrans-105.6-24.1177.4-61.9-180-161.200111.7I720 T930 Q931I720-E724 HydrophobicContact CG2-CB 4.41Å; I720-E724 WeakPolarHBondContact O-CB 3.25Å; I720-E724 PolarHBondContact O-N 2.87Å; E724-T930 VanDerWaalsContact OE1-CA 3.28Å; E724-T930 WeakPolarHBondContact OE1-CA 3.43Å; E724-T930 VanDerWaalsContact OE1-CB 3.25Å; E724-T930 WeakPolarHBondContact OE1-CB 3.46Å; E724-Q931 PolarHBondContact OE1-N 2.64Å
725R85.5Confident87.9Confident22 Ų2251.3 Ų51.38%0.08326%0.259CS..SBendtrans-122.319.6-173-42.1-58.3155.469.85.5113.3D692 Q694 I720 S721 G727 E728 A729 L756D692-R725 IonicContact OD1-CZ 3.26Å; D692-R725 IonicContact OD1-NH1 3.16Å; D692-R725 PolarHBondContact OD1-NH1 3.33Å; D692-R725 IonicContact OD1-NH2 3.68Å; D692-R725 PolarHBondContact OD1-NH2 3.04Å; D692-R725 IonicContact OD2-CZ 3.5Å; D692-R725 IonicContact OD2-NH1 3.92Å; D692-R725 IonicContact OD2-NH2 3.91Å; D692-R725 PolarHBondContact OD2-NH2 3.5Å; Q694-R725 WeakPolarHBondContact O-CD 3.37Å; Q694-R725 PolarHBondContact O-NH1 3.3Å; I720-R725 HydrophobicContact CG2-CG 4.44Å; I720-R725 PolarHBondContact O-N 2.78Å; S721-R725 CarbonylContact O-C 3.56Å; S721-R725 VanDerWaalsContact O-CA 3.28Å; S721-R725 WeakPolarHBondContact O-CA 3.5Å; S721-R725 WeakPolarHBondContact O-CB 3.36Å; S721-R725 PolarHBondContact O-N 3.37Å; S721-R725 VanDerWaalsContact O-N 3.13Å; R725-G727 PolarHBondContact O-N 3.21Å; R725-E728 WeakPolarHBondContact O-CB 3.23Å; R725-E728 PolarHBondContact O-N 2.83Å; R725-A729 HydrophobicContact CB-CB 3.47Å; R725-A729 VanDerWaalsContact CB-CB 3.47Å; R725-A729 HydrophobicContact CG-CB 3.68Å; R725-L756 HydrophobicContact CB-CD1 3.69Å; R725-L756 HydrophobicContact CG-CD1 4.03Å
726R82.5Confident88Confident155 Ų15549.1 Ų49.159%0.58525%0.247SC*.THydrogen-bonded Turntrans57.213.3175.6-51.4177.2-171.8132.52.9115.9S721 E728S721-R726 PolarHBondContact O-N 2.99Å; S721-R726 VanDerWaalsContact O-N 3.13Å; R726-E728 VanDerWaalsContact C-N 3.32Å; R726-E728 HydrophobicContact CB-CG 4.3Å; R726-E728 WeakPolarHBondContact CD-OE1 3.34Å; R726-E728 IonicContact NH1-OE1 2.76Å
727G80.9Confident87.7Confident44 Ų4453.6 Ų53.645%0.45428%0.275SS..THydrogen-bonded Turntrans83.90.1-170.900000114.6S721 R725S721-G727 PolarHBondContact O-N 3.39Å; R725-G727 PolarHBondContact O-N 3.21Å
728E82.7Confident87.6Confident95 Ų9563.1 Ų63.144%0.44431%0.311SS..THydrogen-bonded Turntrans-78.7-25.3-178.8-61.6163.9-15300112.2R725 R726 S730 L756R725-E728 WeakPolarHBondContact O-CB 3.23Å; R725-E728 PolarHBondContact O-N 2.83Å; R726-E728 VanDerWaalsContact C-N 3.32Å; R726-E728 HydrophobicContact CB-CG 4.3Å; R726-E728 WeakPolarHBondContact CD-OE1 3.34Å; R726-E728 IonicContact NH1-OE1 2.76Å; E728-S730 PolarHBondContact O-N 2.63Å; E728-L756 HydrophobicContact CB-CD2 3.79Å
729A85.3Confident87.6Confident3 Ų361.5 Ų61.53%0.02530%0.303CS..SBendtrans-75.4121.5-178.500000112.4Q694 S695 L697 S721 R725Q694-A729 WeakPolarHBondContact O-CB 3.31Å; S695-A729 CarbonylContact O-C 3.51Å; S695-A729 VanDerWaalsContact O-CA 3.26Å; S695-A729 WeakPolarHBondContact O-CA 3.42Å; L697-A729 HydrophobicContact CD1-CB 4.43Å; L697-A729 HydrophobicContact CG-CB 4.28Å; S721-A729 WeakPolarHBondContact CB-O 3.18Å; S721-A729 PolarHBondContact OG-O 2.74Å; R725-A729 HydrophobicContact CB-CB 3.47Å; R725-A729 VanDerWaalsContact CB-CB 3.47Å; R725-A729 HydrophobicContact CG-CB 3.68Å
730S88.9Confident87.8Confident42 Ų4261 Ų6129%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-77.5137.7-17662.30000112.3S695 H696 L697 E728 H732S695-S730 PolarHBondContact O-N 3.28Å; S695-S730 PolarHBondContact O-OG 3.07Å; H696-S730 PolarHBondContact ND1-OG 2.69Å; L697-S730 PolarHBondContact N-O 3.26Å; E728-S730 PolarHBondContact O-N 2.63Å; S730-H732 PolarHBondContact OG-NE2 3.36Å
731I92.6Very high87.7Confident59 Ų5964.1 Ų64.130%0.30332%0.323SS..EExtended strand (participates in β ladder)trans-109.7115.8-174.2-56.2172.6000110.4L697 A717 E718L697-I731 HydrophobicContact CB-CG1 4.34Å; L697-I731 HydrophobicContact CD1-CG1 4.32Å; L697-I731 WeakPolarHBondContact O-CA 3.46Å; A717-I731 HydrophobicContact CB-CD1 4.32Å; A717-I731 HydrophobicContact CB-CG2 4.04Å; E718-I731 HydrophobicContact CB-CD1 4.2Å; E718-I731 HydrophobicContact CG-CD1 3.63Å
732H93Very high87.7Confident61 Ų6164.7 Ų64.728%0.28233%0.328SS..EExtended strand (participates in β ladder)trans-107.5135.1-178.3-55.9-81.3000109.4H696 L697 Y698 L699 S730H696-H732 AromaticContact CE1-NE2 3.99Å; H696-H732 AromaticContact ND1-CD2 3.84Å; H696-H732 AromaticContact ND1-NE2 3.19Å; H696-H732 PolarHBondContact ND1-NE2 2.78Å; H696-H732 VanDerWaalsContact ND1-NE2 3.19Å; L697-H732 PolarHBondContact O-N 3.18Å; Y698-H732 HydrophobicContact CD1-CB 3.46Å; Y698-H732 VanDerWaalsContact CD1-CB 3.46Å; Y698-H732 AromaticContact CD1-CG 3.85Å; Y698-H732 HydrophobicContact CE1-CB 3.85Å; Y698-H732 AromaticContact CE1-CD2 3.74Å; Y698-H732 AromaticContact CE1-CG 3.71Å; Y698-H732 HydrophobicContact CG-CB 4.19Å; Y698-H732 AromaticContact CZ-CD2 3.99Å; L699-H732 PolarHBondContact N-O 3.15Å; S730-H732 PolarHBondContact OG-NE2 3.36Å
733I94.3Very high88Confident75 Ų7560 Ų6039%0.38530%0.299SS..EExtended strand (participates in β ladder)trans-106.3120.3174.2-60.5177.7000107.2I701 P735I701-I733 HydrophobicContact CD1-CG2 3.6Å; I701-I733 HydrophobicContact CG1-CG2 4.38Å; I733-P735 WeakPolarHBondContact O-CD 3.33Å
734E93.8Very high88.3Confident10 Ų1054.1 Ų54.15%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-116.590.9-171.2-59.8-70.4-171.200109.5Y698 L699 W700 I701 E739 S740 F743Y698-E734 HydrophobicContact CD1-CG 3.98Å; Y698-E734 VanDerWaalsContact CD1-OE1 3.31Å; Y698-E734 WeakPolarHBondContact CD1-OE1 3.21Å; L699-E734 PolarHBondContact O-N 3.26Å; W700-E734 CarbonylContact C-O 3.47Å; W700-E734 VanDerWaalsContact CA-O 3.28Å; W700-E734 WeakPolarHBondContact CA-O 3.48Å; W700-E734 HydrophobicContact CB-CB 4.4Å; I701-E734 PolarHBondContact N-O 2.99Å; E734-E739 HydrophobicContact CB-CG 4.42Å; E734-E739 VanDerWaalsContact OE2-CA 3.27Å; E734-E739 WeakPolarHBondContact OE2-CA 3.37Å; E734-S740 WeakPolarHBondContact OE1-CB 3.44Å; E734-S740 PolarHBondContact OE1-OG 3.26Å; E734-S740 PolarHBondContact OE2-N 2.9Å; E734-F743 HydrophobicContact CG-CB 4.04Å; E734-F743 HydrophobicContact CG-CD2 4.1Å; E734-F743 HydrophobicContact CG-CG 4.07Å
735P92Very high88.4Confident52 Ų5251.4 Ų51.434%0.33826%0.264SS..EExtended strand (participates in β ladder)trans-71.3141.6178.4-12.228.1000110.7I733 T737 R738I733-P735 WeakPolarHBondContact O-CD 3.33Å; P735-T737 PolarHBondContact O-N 3.23Å; P735-R738 HydrophobicContact CB-CB 4.32Å; P735-R738 HydrophobicContact CG-CB 4.34Å; P735-R738 CarbonylContact O-C 3.53Å; P735-R738 WeakPolarHBondContact O-CA 3.47Å; P735-R738 PolarHBondContact O-N 3.47Å
736E88.4Confident88.4Confident12 Ų1250.4 Ų50.46%0.05626%0.261CS..THydrogen-bonded Turntrans-51.7129.1173.9-172.9-171.1144.100111.3S685 W700 I701 K703 E739 R798S685-E736 WeakPolarHBondContact CA-OE2 3.46Å; S685-E736 WeakPolarHBondContact CB-OE2 3.44Å; S685-E736 PolarHBondContact OG-OE1 2.83Å; S685-E736 VanDerWaalsContact OG-OE1 3.05Å; S685-E736 PolarHBondContact OG-OE2 3.28Å; W700-E736 HydrophobicContact CH2-CB 4.39Å; W700-E736 HydrophobicContact CH2-CG 4.33Å; W700-E736 HydrophobicContact CZ2-CB 3.87Å; W700-E736 HydrophobicContact CZ2-CG 3.79Å; I701-E736 PolarHBondContact O-N 2.81Å; K703-E736 HydrophobicContact CB-CB 4.29Å; K703-E736 WeakPolarHBondContact CB-OE2 3.11Å; K703-E736 PolarHBondContact N-OE2 2.72Å; E736-E739 WeakPolarHBondContact CA-OE1 3.31Å; E736-R798 IonicContact OE1-CZ 2.68Å; E736-R798 VanDerWaalsContact OE1-CZ 3.27Å; E736-R798 IonicContact OE1-NE 2.61Å; E736-R798 PolarHBondContact OE1-NE 3.07Å; E736-R798 IonicContact OE1-NH2 3.45Å; E736-R798 PolarHBondContact OE1-NH2 2.99Å
737T84.2Confident88.5Confident96 Ų9643 Ų4359%0.58923%0.233SC*.THydrogen-bonded Turntrans73.912.4-172.572.80000116.2P735 E739P735-T737 PolarHBondContact O-N 3.23Å; T737-E739 WeakPolarHBondContact CA-OE2 3.28Å; T737-E739 VanDerWaalsContact N-CD 3.34Å; T737-E739 PolarHBondContact N-OE1 3.49Å; T737-E739 PolarHBondContact N-OE2 3.12Å
738R88.5Confident88.3Confident201 Ų20143.1 Ų43.176%0.75823%0.225SC*.  trans-139.422175-63.6-171.5176.3-168.6-2.1113.5P735P735-R738 HydrophobicContact CB-CB 4.32Å; P735-R738 HydrophobicContact CG-CB 4.34Å; P735-R738 CarbonylContact O-C 3.53Å; P735-R738 WeakPolarHBondContact O-CA 3.47Å; P735-R738 PolarHBondContact O-N 3.47Å
739E89.8Confident87.9Confident23 Ų2340.1 Ų40.111%0.10722%0.219CC..  trans-69.6143.1-175.2-56.490.7154.600113W700 E734 E736 T737 F743 W744W700-E739 PolarHBondContact NE1-OE1 3.12Å; E734-E739 HydrophobicContact CB-CG 4.42Å; E734-E739 VanDerWaalsContact OE2-CA 3.27Å; E734-E739 WeakPolarHBondContact OE2-CA 3.37Å; E736-E739 WeakPolarHBondContact CA-OE1 3.31Å; T737-E739 WeakPolarHBondContact CA-OE2 3.28Å; T737-E739 VanDerWaalsContact N-CD 3.34Å; T737-E739 PolarHBondContact N-OE1 3.49Å; T737-E739 PolarHBondContact N-OE2 3.12Å; E739-F743 HydrophobicContact CB-CD1 3.85Å; E739-F743 HydrophobicContact CB-CE1 4.42Å; E739-F743 HydrophobicContact CG-CD1 4.04Å; E739-F743 HydrophobicContact CG-CE1 4.12Å; E739-W744 HydrophobicContact CB-CZ2 4.25Å; E739-W744 HydrophobicContact CG-CZ2 4.18Å
740S90.8Very high87.7Confident40 Ų4043.3 Ų43.328%0.2824%0.238SC..  trans-71.4154.2176.876.90000113.6E734 A742 F743 W744E734-S740 WeakPolarHBondContact OE1-CB 3.44Å; E734-S740 PolarHBondContact OE1-OG 3.26Å; E734-S740 PolarHBondContact OE2-N 2.9Å; S740-A742 PolarHBondContact O-N 3.42Å; S740-F743 PolarHBondContact O-N 3.29Å; S740-F743 PolarHBondContact OG-N 2.99Å; S740-F743 VanDerWaalsContact OG-N 3.12Å; S740-W744 VanDerWaalsContact O-CD1 3.28Å; S740-W744 PolarHBondContact O-N 2.89Å; S740-W744 VanDerWaalsContact O-N 3.14Å
741N87.6Confident87.3Confident65 Ų6543 Ų4335%0.34823%0.23SC..Hα-helixtrans-57.1-33.5172.1-64.3-16.3000112.1W744 A745N741-W744 PolarHBondContact O-N 3.13Å; N741-A745 WeakPolarHBondContact O-CB 3.49Å; N741-A745 PolarHBondContact O-N 2.89Å
742A89Confident86.6Confident19 Ų1943.3 Ų43.316%0.15724%0.235CC..Hα-helixtrans-69.3-43.8179.200000112Y698 S740 W744 A745 I746 W751 A787Y698-A742 HydrophobicContact CE1-CB 4.27Å; Y698-A742 WeakPolarHBondContact OH-CB 3.46Å; S740-A742 PolarHBondContact O-N 3.42Å; A742-W744 VanDerWaalsContact C-N 3.32Å; A742-W744 PolarHBondContact O-N 3.27Å; A742-A745 PolarHBondContact O-N 3.1Å; A742-I746 WeakPolarHBondContact O-CG1 3.38Å; A742-I746 PolarHBondContact O-N 3.5Å; A742-I746 VanDerWaalsContact O-N 3.14Å; A742-W751 HydrophobicContact CB-CZ3 4.2Å; A742-A787 HydrophobicContact CB-CB 3.64Å
743F91Very high85.9Confident0 Ų040.5 Ų40.50%022%0.223CC..Hα-helixtrans-57-46.4171.9172.9-96.8000111.6L683 L691 Y698 W700 E734 E739 S740 I747L683-F743 HydrophobicContact CD1-CE1 4.11Å; L683-F743 HydrophobicContact CD1-CZ 4.14Å; L683-F743 HydrophobicContact CD2-CZ 4.21Å; L691-F743 HydrophobicContact CD2-CD2 4.23Å; L691-F743 HydrophobicContact CD2-CE2 4.45Å; Y698-F743 HydrophobicContact CD1-CB 3.97Å; Y698-F743 HydrophobicContact CD1-CD2 4.34Å; Y698-F743 HydrophobicContact CE1-CB 4.32Å; Y698-F743 HydrophobicContact CG-CD2 4.15Å; W700-F743 HydrophobicContact CB-CE2 3.9Å; W700-F743 HydrophobicContact CB-CZ 3.82Å; W700-F743 AromaticContact CD1-CE1 3.53Å; W700-F743 AromaticContact CD1-CZ 3.43Å; W700-F743 VanDerWaalsContact CD1-CZ 3.43Å; W700-F743 HydrophobicContact CG-CE1 4.32Å; W700-F743 HydrophobicContact CG-CE2 4.35Å; W700-F743 AromaticContact CG-CZ 3.78Å; W700-F743 HydrophobicContact CG-CZ 3.78Å; E734-F743 HydrophobicContact CG-CB 4.04Å; E734-F743 HydrophobicContact CG-CD2 4.1Å; E734-F743 HydrophobicContact CG-CG 4.07Å; E739-F743 HydrophobicContact CB-CD1 3.85Å; E739-F743 HydrophobicContact CB-CE1 4.42Å; E739-F743 HydrophobicContact CG-CD1 4.04Å; E739-F743 HydrophobicContact CG-CE1 4.12Å; S740-F743 PolarHBondContact O-N 3.29Å; S740-F743 PolarHBondContact OG-N 2.99Å; S740-F743 VanDerWaalsContact OG-N 3.12Å; F743-I747 HydrophobicContact CE1-CG2 4.28Å; F743-I747 HydrophobicContact CE2-CD1 4.47Å; F743-I747 HydrophobicContact CZ-CD1 3.92Å; F743-I747 WeakPolarHBondContact O-CG2 3.38Å; F743-I747 PolarHBondContact O-N 3.25Å; F743-I747 VanDerWaalsContact O-N 3.11Å
744W89.2Confident85Confident5 Ų538.5 Ų38.52%0.01922%0.217CC..Hα-helixtrans-61.3-47.2176.3-75.1116.1000112.5H680 L683 E739 S740 N741 A742 I746 I747 T748 V790 P792 P793 I796H680-W744 HydrophobicContact CB-CZ3 4Å; L683-W744 HydrophobicContact CD1-CH2 4.25Å; L683-W744 HydrophobicContact CD1-CZ3 4.36Å; E739-W744 HydrophobicContact CB-CZ2 4.25Å; E739-W744 HydrophobicContact CG-CZ2 4.18Å; S740-W744 VanDerWaalsContact O-CD1 3.28Å; S740-W744 PolarHBondContact O-N 2.89Å; S740-W744 VanDerWaalsContact O-N 3.14Å; N741-W744 PolarHBondContact O-N 3.13Å; A742-W744 VanDerWaalsContact C-N 3.32Å; A742-W744 PolarHBondContact O-N 3.27Å; W744-I746 VanDerWaalsContact C-N 3.33Å; W744-I746 PolarHBondContact O-N 2.9Å; W744-I747 HydrophobicContact CE3-CG2 3.96Å; W744-I747 HydrophobicContact CZ3-CG2 4.36Å; W744-I747 PolarHBondContact O-N 2.89Å; W744-T748 WeakPolarHBondContact O-CG2 3.1Å; W744-T748 PolarHBondContact O-N 2.85Å; W744-T748 PolarHBondContact O-OG1 2.83Å; W744-T748 VanDerWaalsContact O-OG1 3.04Å; W744-V790 HydrophobicContact CB-CB 3.9Å; W744-V790 HydrophobicContact CB-CG1 3.86Å; W744-P792 HydrophobicContact CD2-CB 4.41Å; W744-P792 HydrophobicContact CH2-CB 4.32Å; W744-P792 HydrophobicContact CZ2-CB 3.66Å; W744-P793 HydrophobicContact CZ3-CG 4.4Å; W744-I796 HydrophobicContact CH2-CD1 4.09Å; W744-I796 HydrophobicContact CZ2-CD1 4.27Å
745A86.4Confident84Confident0 Ų040.1 Ų40.10%023%0.229CC..Hα-helixtrans-62.6-35.7-176.700000113.4N741 A742 T748 G749 V750 W751 P788 V790N741-A745 WeakPolarHBondContact O-CB 3.49Å; N741-A745 PolarHBondContact O-N 2.89Å; A742-A745 PolarHBondContact O-N 3.1Å; A745-T748 PolarHBondContact O-OG1 3.21Å; A745-G749 PolarHBondContact O-N 3.5Å; A745-V750 PolarHBondContact O-N 3.33Å; A745-W751 HydrophobicContact CB-CB 3.64Å; A745-W751 PolarHBondContact O-N 3.45Å; A745-W751 VanDerWaalsContact O-N 3.08Å; A745-P788 HydrophobicContact CB-CG 4.08Å; A745-V790 HydrophobicContact CB-CG2 3.84Å
746I86.2Confident83Confident1 Ų139 Ų391%0.00522%0.219CC..Hα-helixtrans-74.2-44.8175.6-52.3163.5000110.8P659 L678 L691 A693 Y698 A742 W744 T748 G749 W751 P753P659-I746 HydrophobicContact CB-CG2 4.14Å; P659-I746 HydrophobicContact CG-CG2 4.22Å; L678-I746 HydrophobicContact CD1-CG2 4.3Å; L678-I746 HydrophobicContact CD2-CG2 4.41Å; L691-I746 HydrophobicContact CD1-CG2 4.2Å; L691-I746 HydrophobicContact CD2-CB 3.92Å; L691-I746 HydrophobicContact CD2-CD1 4.18Å; L691-I746 HydrophobicContact CD2-CG2 3.84Å; L691-I746 HydrophobicContact CG-CG2 4.47Å; A693-I746 HydrophobicContact CB-CD1 4.14Å; A693-I746 HydrophobicContact CB-CG2 4.44Å; Y698-I746 HydrophobicContact CD2-CD1 4.12Å; Y698-I746 HydrophobicContact CE2-CD1 3.33Å; A742-I746 WeakPolarHBondContact O-CG1 3.38Å; A742-I746 PolarHBondContact O-N 3.5Å; A742-I746 VanDerWaalsContact O-N 3.14Å; W744-I746 VanDerWaalsContact C-N 3.33Å; W744-I746 PolarHBondContact O-N 2.9Å; I746-T748 PolarHBondContact O-N 2.72Å; I746-G749 PolarHBondContact O-N 3.29Å; I746-W751 WeakPolarHBondContact CA-O 3.44Å; I746-W751 HydrophobicContact CD1-CE3 4.12Å; I746-W751 HydrophobicContact CD1-CZ3 4.04Å; I746-W751 HydrophobicContact CG1-CE3 3.68Å; I746-W751 HydrophobicContact CG1-CZ3 4.14Å; I746-P753 HydrophobicContact CD1-CG 3.65Å; I746-P753 HydrophobicContact CG1-CG 4.23Å
747I83Confident81.8Confident0 Ų043 Ų430%025%0.246CC..Hα-helixtrans-75.1-6.3-177.6-148.6179.4000113.5F661 T679 H680 L683 F743 W744F661-I747 HydrophobicContact CD1-CD1 4.48Å; F661-I747 HydrophobicContact CE1-CD1 3.83Å; F661-I747 HydrophobicContact CE2-CD1 3.96Å; F661-I747 HydrophobicContact CZ-CD1 3.55Å; T679-I747 CarbonylContact C-O 3.46Å; T679-I747 VanDerWaalsContact CA-O 3.26Å; T679-I747 WeakPolarHBondContact CA-O 3.49Å; H680-I747 HydrophobicContact CB-CG2 4.31Å; H680-I747 PolarHBondContact N-O 3.24Å; H680-I747 VanDerWaalsContact N-O 3.13Å; L683-I747 HydrophobicContact CD1-CD1 3.97Å; L683-I747 HydrophobicContact CD2-CD1 4.15Å; L683-I747 HydrophobicContact CG-CD1 3.9Å; F743-I747 HydrophobicContact CE1-CG2 4.28Å; F743-I747 HydrophobicContact CE2-CD1 4.47Å; F743-I747 HydrophobicContact CZ-CD1 3.92Å; F743-I747 WeakPolarHBondContact O-CG2 3.38Å; F743-I747 PolarHBondContact O-N 3.25Å; F743-I747 VanDerWaalsContact O-N 3.11Å; W744-I747 HydrophobicContact CE3-CG2 3.96Å; W744-I747 HydrophobicContact CZ3-CG2 4.36Å; W744-I747 PolarHBondContact O-N 2.89Å
748T77.5Confident80.6Confident47 Ų4743.6 Ų43.629%0.28824%0.241SC..THydrogen-bonded Turntrans-104.45.1165.863.50000113.6W744 A745 I746 V750W744-T748 WeakPolarHBondContact O-CG2 3.1Å; W744-T748 PolarHBondContact O-N 2.85Å; W744-T748 PolarHBondContact O-OG1 2.83Å; W744-T748 VanDerWaalsContact O-OG1 3.04Å; A745-T748 PolarHBondContact O-OG1 3.21Å; I746-T748 PolarHBondContact O-N 2.72Å; T748-V750 PolarHBondContact O-N 3.31Å; T748-V750 WeakPolarHBondContact OG1-CG2 3.38Å
749G75Confident78.8Confident31 Ų3137.8 Ų37.832%0.3223%0.229SC..THydrogen-bonded Turntrans69.210.2-179.700000115.3A745 I746A745-G749 PolarHBondContact O-N 3.5Å; I746-G749 PolarHBondContact O-N 3.29Å
750V80.4Confident76.5Confident71 Ų7142.6 Ų42.643%0.4326%0.26SS..SBendtrans-82.7-20-175.7173.50000112A745 T748 P788 V790A745-V750 PolarHBondContact O-N 3.33Å; T748-V750 PolarHBondContact O-N 3.31Å; T748-V750 WeakPolarHBondContact OG1-CG2 3.38Å; V750-P788 HydrophobicContact CG1-CG 3.84Å; V750-V790 HydrophobicContact CG1-CG2 4.38Å
751W80.8Confident73.6Confident34 Ų3447.2 Ų47.213%0.12929%0.287CS..  trans-148.2139180-174.172.7000111.2A742 A745 I746 P753 P785 A787A742-W751 HydrophobicContact CB-CZ3 4.2Å; A745-W751 HydrophobicContact CB-CB 3.64Å; A745-W751 PolarHBondContact O-N 3.45Å; A745-W751 VanDerWaalsContact O-N 3.08Å; I746-W751 WeakPolarHBondContact CA-O 3.44Å; I746-W751 HydrophobicContact CD1-CE3 4.12Å; I746-W751 HydrophobicContact CD1-CZ3 4.04Å; I746-W751 HydrophobicContact CG1-CE3 3.68Å; I746-W751 HydrophobicContact CG1-CZ3 4.14Å; W751-P753 HydrophobicContact CE3-CG 4.25Å; W751-P753 HydrophobicContact CH2-CB 3.98Å; W751-P753 HydrophobicContact CH2-CG 4.09Å; W751-P753 HydrophobicContact CZ3-CB 4.15Å; W751-P753 HydrophobicContact CZ3-CG 3.73Å; W751-P785 PolarHBondContact NE1-O 3.48Å; W751-A787 HydrophobicContact CD2-CB 3.89Å; W751-A787 HydrophobicContact CE3-CB 3.79Å; W751-A787 HydrophobicContact CG-CB 4.5Å; W751-A787 HydrophobicContact CH2-CB 4.23Å; W751-A787 HydrophobicContact CZ2-CB 4.29Å; W751-A787 HydrophobicContact CZ3-CB 3.97Å
752V77.8Confident71Confident67 Ų6751 Ų5141%0.40631%0.307SS..  trans-116.4131.7169.8-177.30000107.2V657 P659V657-V752 HydrophobicContact CB-CG1 3.74Å; V657-V752 HydrophobicContact CG1-CG1 3.62Å; P659-V752 HydrophobicContact CG-CG1 4.27Å
753P78.3Confident68.1Low2 Ų254.4 Ų54.41%0.01333%0.33CS..PPolyproline II helixtrans-62.7158.2177.3-2133.7000111.9A693 H696 I746 W751A693-P753 HydrophobicContact CB-CG 3.76Å; H696-P753 HydrophobicContact CB-CG 4.46Å; I746-P753 HydrophobicContact CD1-CG 3.65Å; I746-P753 HydrophobicContact CG1-CG 4.23Å; W751-P753 HydrophobicContact CE3-CG 4.25Å; W751-P753 HydrophobicContact CH2-CB 3.98Å; W751-P753 HydrophobicContact CH2-CG 4.09Å; W751-P753 HydrophobicContact CZ3-CB 4.15Å; W751-P753 HydrophobicContact CZ3-CG 3.73Å
754A74.9Confident65.3Low32 Ų3260.8 Ų60.826%0.26436%0.364SS..PPolyproline II helixtrans-54.9139.5169.800000110.4S695 Y784S695-A754 WeakPolarHBondContact CB-O 3.1Å; S695-A754 PolarHBondContact OG-O 2.97Å; A754-Y784 HydrophobicContact CB-CD1 3.89Å; A754-Y784 HydrophobicContact CB-CD2 3.61Å; A754-Y784 HydrophobicContact CB-CE1 4.1Å; A754-Y784 HydrophobicContact CB-CE2 3.83Å; A754-Y784 HydrophobicContact CB-CG 3.66Å
755P73Confident62.6Low45 Ų4569.9 Ų69.929%0.29241%0.407SS..PPolyproline II helixtrans-57.1153.3170.324.6-32.1000110.2V657 Y784V657-P755 HydrophobicContact CG2-CB 3.62Å; V657-P755 HydrophobicContact CG2-CG 4.42Å; P755-Y784 VanDerWaalsContact CD-OH 3.27Å; P755-Y784 WeakPolarHBondContact CD-OH 3.3Å
756L70.5Confident59.9Low28 Ų2878.3 Ų78.315%0.14744%0.443CS..PPolyproline II helixtrans-55.6137.2167.3-78.2167.8000109.1Q694 R725 E728 K758Q694-L756 HydrophobicContact CG-CD1 4.08Å; Q694-L756 HydrophobicContact CG-CG 4.37Å; R725-L756 HydrophobicContact CB-CD1 3.69Å; R725-L756 HydrophobicContact CG-CD1 4.03Å; E728-L756 HydrophobicContact CB-CD2 3.79Å; L756-K758 PolarHBondContact O-N 3.32Å; L756-K758 VanDerWaalsContact O-N 3.1Å
757P64.7Low57.2Low95 Ų9582.7 Ų82.762%0.61747%0.467SS*.PPolyproline II helixtrans-52122.7176.4-26.835.2000110.5
758K58.5Low54.8Low110 Ų11091.5 Ų91.548%0.47851%0.507SS..PPolyproline II helixtrans-54133.2168.2-73.3-170.1170.5-165.30107.3D654 D655 L756 T760D654-K758 IonicContact OD1-NZ 3.59Å; D654-K758 PolarHBondContact OD1-NZ 2.91Å; D655-K758 VanDerWaalsContact OD2-CE 3.22Å; D655-K758 WeakPolarHBondContact OD2-CE 3.48Å; D655-K758 IonicContact OD2-NZ 3.79Å; L756-K758 PolarHBondContact O-N 3.32Å; L756-K758 VanDerWaalsContact O-N 3.1Å; K758-T760 PolarHBondContact O-N 2.96Å
759P50.6Low52.5Low79 Ų7995.9 Ų95.951%0.51353%0.528SS..  trans-59110-17625.4-33.9000108.6T761P759-T761 PolarHBondContact O-N 3.14Å
760T41.5Very low50.3Low123 Ų123101.2 Ų101.276%0.75555%0.547SS*.  trans-68.3107.7-177.237.40000108.6K758 N762K758-T760 PolarHBondContact O-N 2.96Å; T760-N762 PolarHBondContact O-N 2.93Å
761T30.5Very low47.8Very low137 Ų137106.2 Ų106.284%0.8456%0.563SS**  trans-75.554.5174.654.80000111.1P759P759-T761 PolarHBondContact O-N 3.14Å
762N31.7Very low45.2Very low145 Ų145110.9 Ų110.978%0.77560%0.598SS**  trans-80.3113.8155-78.16.5000106.5T760T760-N762 PolarHBondContact O-N 2.93Å
763S28.6Very low42.9Very low91 Ų91115 Ų11564%0.63662%0.617SS**  trans-56158.8154.155.60000109.6
764D32Very low40.5Very low134 Ų134122 Ų12272%0.71765%0.654SS**  trans71.763.7165.6-44-48.7000117.4
765Q33.4Very low38.6Very low195 Ų195128 Ų12891%0.91168%0.682SS**  -160.2136.4129.7-109.314586.900113.8
766K29.7Very low36.6Very low177 Ų177134.3 Ų134.377%0.7771%0.707SS**  trans-107.2158.7170.7-71.9-178.6179.91740110.4
767D30Very low34.8Very low94 Ų94141.7 Ų141.750%0.50374%0.741SS.*  trans42.887.8155.3-66.6-59.7000118.7K1103D767-K1103 IonicContact OD1-NZ 3.2Å
768H32.1Very low33.2Very low184 Ų184146 Ų14685%0.85275%0.753SS**  trans-134.7118.5148.7-88.3-59.4000113.5
769I28.7Very low31.9Very low139 Ų139148.3 Ų148.371%0.71377%0.77SS**  trans-78.7136.6152.2-57.9163.5000106.4
770I28.2Very low31.2Very low143 Ų143154.4 Ų154.473%0.73379%0.789SS**  trans-177.6157.4141.3-97152.2000112.6
771K27.7Very low30.9Very low176 Ų176156.4 Ų156.477%0.76579%0.79SS**  trans-40.2161.3179.1-62.3168.9-178.1175.40117.3
772P27.6Very low31.6Very low132 Ų132156.2 Ų156.286%0.85778%0.782SS**  trans-59.6141.7168.128.4-37000111.5
773L27.9Very low32.3Very low154 Ų154155.9 Ų155.981%0.80678%0.78SS**  trans-146.9119.1175.4-105.2160.7000108.1
774D29.7Very low33.8Very low149 Ų149156.6 Ų156.680%0.79777%0.77SS**  trans-68.3128.4170.7-51.6-79.6000109.8
775N33.4Very low35.5Very low159 Ų159154 Ų15485%0.8576%0.761SS**  -175.6149.3129.5-92.7-41.7000111
776H32.4Very low37.2Very low177 Ų177150.1 Ų150.182%0.81975%0.752SS**  trans-75.1146173.2-57.1-93.4000110.7
777E32.4Very low39.3Very low182 Ų182143 Ų14385%0.8573%0.727SS**  -177.5151.1104.1-99.1171.1-177.600113.4
778E31.5Very low41.7Very low187 Ų187141 Ų14187%0.87472%0.719SS**  trans4569.8159.4-56.3-159.2151.800120
779N31.5Very low43.9Very low157 Ų157137.1 Ų137.184%0.8471%0.707SS**  trans-122.1149136.9-110.8-53.3000110E781N779-E781 VanDerWaalsContact C-N 3.25Å; N779-E781 PolarHBondContact O-N 2.69Å
780K34.7Very low46.4Very low207 Ų207131.8 Ų131.890%0.968%0.681SS**  trans-79.773.1-177.1-71-178.5-179.5174.60111I782K780-I782 PolarHBondContact O-N 3.08Å
781E34.8Very low48.3Very low166 Ų166132.1 Ų132.178%0.77668%0.68SS**  trans-57.1119.6171.4-65.9-173.9133.300109.9N779 N783N779-E781 VanDerWaalsContact C-N 3.25Å; N779-E781 PolarHBondContact O-N 2.69Å; E781-N783 VanDerWaalsContact C-N 3.29Å; E781-N783 PolarHBondContact O-N 2.72Å
782I45Very low50.3Low133 Ų133126.9 Ų126.968%0.68266%0.663SS**  trans-64.2102.1158.5-64.2173.9000104.5K780 Y784K780-I782 PolarHBondContact O-N 3.08Å; I782-Y784 HydrophobicContact CB-CD2 4.42Å; I782-Y784 HydrophobicContact CB-CE2 4.12Å; I782-Y784 HydrophobicContact CG2-CD2 4.08Å; I782-Y784 HydrophobicContact CG2-CE2 3.77Å; I782-Y784 WeakPolarHBondContact O-CD2 3.31Å; I782-Y784 PolarHBondContact O-N 2.74Å
783N46.2Very low52.3Low138 Ų138122.3 Ų122.374%0.73863%0.634SS**  trans-76.375.8-167.9-159.5-14.8000109.5E781 P785E781-N783 VanDerWaalsContact C-N 3.29Å; E781-N783 PolarHBondContact O-N 2.72Å; N783-P785 VanDerWaalsContact O-N 3.15Å
784Y62Low53.9Low105 Ų105125.4 Ų125.441%0.41264%0.641SS.*PPolyproline II helixtrans-53.9118.2179.2-83.1-87.1000108.4A754 P755 I782A754-Y784 HydrophobicContact CB-CD1 3.89Å; A754-Y784 HydrophobicContact CB-CD2 3.61Å; A754-Y784 HydrophobicContact CB-CE1 4.1Å; A754-Y784 HydrophobicContact CB-CE2 3.83Å; A754-Y784 HydrophobicContact CB-CG 3.66Å; P755-Y784 VanDerWaalsContact CD-OH 3.27Å; P755-Y784 WeakPolarHBondContact CD-OH 3.3Å; I782-Y784 HydrophobicContact CB-CD2 4.42Å; I782-Y784 HydrophobicContact CB-CE2 4.12Å; I782-Y784 HydrophobicContact CG2-CD2 4.08Å; I782-Y784 HydrophobicContact CG2-CE2 3.77Å; I782-Y784 WeakPolarHBondContact O-CD2 3.31Å; I782-Y784 PolarHBondContact O-N 2.74Å
785P66.3Low55.2Low81 Ų81123.8 Ų123.853%0.52664%0.636SS.*PPolyproline II helixtrans-61.1136.4-170.323.2-33.2000109.5W751 N783W751-P785 PolarHBondContact NE1-O 3.48Å; N783-P785 VanDerWaalsContact O-N 3.15Å
786P69.6Low56.2Low113 Ų113118.7 Ų118.773%0.73461%0.608SS**PPolyproline II helixtrans-60.1142.7174.926.7-34.5000109.3
787A74.3Confident57.2Low28 Ų28112.4 Ų112.423%0.23158%0.584CS.*PPolyproline II helixtrans-53.7125.5-172.500000111.8A742 W751A742-A787 HydrophobicContact CB-CB 3.64Å; W751-A787 HydrophobicContact CD2-CB 3.89Å; W751-A787 HydrophobicContact CE3-CB 3.79Å; W751-A787 HydrophobicContact CG-CB 4.5Å; W751-A787 HydrophobicContact CH2-CB 4.23Å; W751-A787 HydrophobicContact CZ2-CB 4.29Å; W751-A787 HydrophobicContact CZ3-CB 3.97Å
788P80.5Confident58.1Low52 Ų52109 Ų10934%0.33856%0.563SS.*PPolyproline II helixtrans-66156.4-173.224.6-32.6000112A745 V750 V790A745-P788 HydrophobicContact CB-CG 4.08Å; V750-P788 HydrophobicContact CG1-CG 3.84Å; P788-V790 VanDerWaalsContact C-N 3.26Å; P788-V790 HydrophobicContact CG-CG2 4.19Å; P788-V790 PolarHBondContact O-N 2.87Å
789V78.3Confident59.2Low101 Ų101105.6 Ų105.661%0.61255%0.551SS**  trans-74.179.6178.3-174.80000110.2
790V79.7Confident60.3Low28 Ų28101.4 Ų101.417%0.1753%0.526CS..  trans-83.9113.9174-177.60000109W744 A745 V750 P788W744-V790 HydrophobicContact CB-CB 3.9Å; W744-V790 HydrophobicContact CB-CG1 3.86Å; A745-V790 HydrophobicContact CB-CG2 3.84Å; V750-V790 HydrophobicContact CG1-CG2 4.38Å; P788-V790 VanDerWaalsContact C-N 3.26Å; P788-V790 HydrophobicContact CG-CG2 4.19Å; P788-V790 PolarHBondContact O-N 2.87Å
791H68.7Low61.3Low150 Ų15092.4 Ų92.469%0.69449%0.487SS*.PPolyproline II helixtrans-73.6141.7173.3-69.1-39.1000111.1
792P70.4Confident62.3Low65 Ų6587.4 Ų87.442%0.42247%0.469SS..PPolyproline II helixtrans-58.1140.9176.123.1-33.8000111.3W744 K794 I796W744-P792 HydrophobicContact CD2-CB 4.41Å; W744-P792 HydrophobicContact CH2-CB 4.32Å; W744-P792 HydrophobicContact CZ2-CB 3.66Å; P792-K794 PolarHBondContact O-N 3.34Å; P792-I796 HydrophobicContact CB-CD1 4.49Å
793P69.4Low62.8Low37 Ų3788 Ų8824%0.2448%0.479CS..PPolyproline II helixtrans-53.9132.5177.2-27.435.2000112.1W744 V795 I796W744-P793 HydrophobicContact CZ3-CG 4.4Å; P793-V795 PolarHBondContact O-N 3.04Å; P793-I796 PolarHBondContact O-N 3.08Å
794K61.5Low63.3Low218 Ų21887.2 Ų87.295%0.94848%0.475SS*.SBendtrans-58.4-20-178.6-71.3-178.8-180172.80113.8P792P792-K794 PolarHBondContact O-N 3.34Å
795V57Low63.3Low116 Ų11684.9 Ų84.970%0.70347%0.466SS*.  trans-123.384.1173-174.30000108.8P793 S797P793-V795 PolarHBondContact O-N 3.04Å; V795-S797 PolarHBondContact O-N 3.36Å
796I54.9Low63Low51 Ų5188.7 Ų88.726%0.26248%0.476SS..  trans-72.289.7159.3-53.6178.8000106.5W744 P792 P793W744-I796 HydrophobicContact CH2-CD1 4.09Å; W744-I796 HydrophobicContact CZ2-CD1 4.27Å; P792-I796 HydrophobicContact CB-CD1 4.49Å; P793-I796 PolarHBondContact O-N 3.08Å
797S51.4Low62.8Low45 Ų4585.2 Ų85.232%0.31545%0.451SS..  trans-67.5132.9172.7173.60000109.3V795 F800V795-S797 PolarHBondContact O-N 3.36Å; S797-F800 VanDerWaalsContact CB-CE2 3.44Å; S797-F800 VanDerWaalsContact OG-CZ 3.26Å; S797-F800 WeakPolarHBondContact OG-CZ 3.39Å
798R53Low62.3Low110 Ų11086.3 Ų86.342%0.41546%0.456SS..  trans-112.6-2.7-156.7-90.8179.5171.4113.5-2.6116.4E736E736-R798 IonicContact OE1-CZ 2.68Å; E736-R798 VanDerWaalsContact OE1-CZ 3.27Å; E736-R798 IonicContact OE1-NE 2.61Å; E736-R798 PolarHBondContact OE1-NE 3.07Å; E736-R798 IonicContact OE1-NH2 3.45Å; E736-R798 PolarHBondContact OE1-NH2 2.99Å
799D53.1Low61.9Low116 Ų11690.1 Ų90.162%0.6247%0.469SS*.  trans-143.574.3-178.9-80.4-68.1000110.6K686K686-D799 IonicContact NZ-OD1 3.07Å; K686-D799 PolarHBondContact NZ-OD1 3.4Å
800F55.3Low62.1Low69 Ų6986.2 Ų86.230%0.30345%0.446SS..  trans-96.7-26.2178.6-78.7-56.4000114.8L681 S797 P802 L888L681-F800 HydrophobicContact CB-CE2 4.47Å; L681-F800 HydrophobicContact CD2-CE2 3.7Å; L681-F800 HydrophobicContact CD2-CZ 3.93Å; S797-F800 VanDerWaalsContact CB-CE2 3.44Å; S797-F800 VanDerWaalsContact OG-CZ 3.26Å; S797-F800 WeakPolarHBondContact OG-CZ 3.39Å; F800-P802 WeakPolarHBondContact O-CD 3.06Å; F800-L888 HydrophobicContact CB-CD1 3.63Å; F800-L888 HydrophobicContact CB-CG 4.39Å; F800-L888 HydrophobicContact CD1-CD1 3.95Å; F800-L888 HydrophobicContact CD1-CG 4.33Å; F800-L888 HydrophobicContact CD2-CD1 4.14Å; F800-L888 HydrophobicContact CG-CD1 3.69Å; F800-L888 HydrophobicContact CG-CG 4.49Å
801I56.1Low62.3Low18 Ų1886.2 Ų86.29%0.09245%0.445CS..SBendtrans-80.4124.4178.7-46.8159.8000107.5D684 F687 T803 W805D684-I801 HydrophobicContact CB-CD1 4.05Å; D684-I801 WeakPolarHBondContact OD2-CD1 3.26Å; F687-I801 HydrophobicContact CD2-CD1 3.93Å; F687-I801 HydrophobicContact CE2-CD1 3.57Å; I801-T803 PolarHBondContact O-N 3.33Å; I801-W805 HydrophobicContact CG2-CB 3.64Å; I801-W805 HydrophobicContact CG2-CD2 4.26Å; I801-W805 HydrophobicContact CG2-CE3 4.38Å; I801-W805 HydrophobicContact CG2-CG 3.96Å
802P56.1Low63.5Low61 Ų6179.1 Ų79.140%0.39641%0.412SS..  trans-53.8136.7172.1-25.234.5000110.8F800 D804 W805F800-P802 WeakPolarHBondContact O-CD 3.06Å; P802-D804 WeakPolarHBondContact CB-OD1 3.38Å; P802-D804 PolarHBondContact O-N 3.38Å; P802-W805 VanDerWaalsContact O-CB 3.3Å; P802-W805 WeakPolarHBondContact O-CB 3.36Å; P802-W805 PolarHBondContact O-N 3.07Å
803T54.7Low64.5Low145 Ų14576 Ų7689%0.8939%0.392SS*.THydrogen-bonded Turntrans-63.4-15.7-176.446.30000113.7I801I801-T803 PolarHBondContact O-N 3.33Å
804D56Low65.7Low122 Ų12275.1 Ų75.165%0.65239%0.385SS*.THydrogen-bonded Turntrans-98.50.7175.663.1-51.8000113.9P802 Q806P802-D804 WeakPolarHBondContact CB-OD1 3.38Å; P802-D804 PolarHBondContact O-N 3.38Å; D804-Q806 WeakPolarHBondContact O-CG 3.21Å; D804-Q806 PolarHBondContact O-N 3.23Å
805W63.3Low67.2Low57 Ų5764.8 Ų64.822%0.21634%0.34CS..  trans-60.1129.9177-177.685.7000111.4F665 V674 I801 P802 L807F665-W805 HydrophobicContact CZ-CZ3 4.35Å; V674-W805 HydrophobicContact CG1-CH2 4.41Å; V674-W805 HydrophobicContact CG2-CH2 4.34Å; I801-W805 HydrophobicContact CG2-CB 3.64Å; I801-W805 HydrophobicContact CG2-CD2 4.26Å; I801-W805 HydrophobicContact CG2-CE3 4.38Å; I801-W805 HydrophobicContact CG2-CG 3.96Å; P802-W805 VanDerWaalsContact O-CB 3.3Å; P802-W805 WeakPolarHBondContact O-CB 3.36Å; P802-W805 PolarHBondContact O-N 3.07Å; W805-L807 HydrophobicContact CH2-CB 4.31Å; W805-L807 HydrophobicContact CZ3-CB 4.38Å
806Q60.3Low68.7Low161 Ų16162 Ų6275%0.75232%0.319SS*.  trans-117.6134.9179.5-56-17116.900110.4D804 P808D804-Q806 WeakPolarHBondContact O-CG 3.21Å; D804-Q806 PolarHBondContact O-N 3.23Å; Q806-P808 WeakPolarHBondContact O-CD 3.45Å
807L64.6Low70.1Confident40 Ų4064.2 Ų64.221%0.20933%0.33CS..PPolyproline II helixtrans-55.3122.2166.1172.857.5000109.5F665 K672 V674 W805 Q809F665-L807 HydrophobicContact CE2-CD2 4.31Å; F665-L807 HydrophobicContact CZ-CB 4.23Å; F665-L807 HydrophobicContact CZ-CD2 3.98Å; K672-L807 HydrophobicContact CB-CD2 4.45Å; K672-L807 HydrophobicContact CD-CD2 3.71Å; K672-L807 HydrophobicContact CG-CD2 4.35Å; V674-L807 HydrophobicContact CG2-CD1 3.44Å; V674-L807 VanDerWaalsContact CG2-CD1 3.44Å; W805-L807 HydrophobicContact CH2-CB 4.31Å; W805-L807 HydrophobicContact CZ3-CB 4.38Å; L807-Q809 PolarHBondContact O-N 3.32Å
808P64.7Low70.8Confident50 Ų5062.5 Ų62.533%0.32532%0.319SS..PPolyproline II helixtrans-51.7139.5169.1-28.636000111.5Q806Q806-P808 WeakPolarHBondContact O-CD 3.45Å
809Q72.1Confident71.4Confident133 Ų13366.6 Ų66.662%0.62134%0.335SS*.PPolyproline II helixtrans-69.5136172.7-62.7-64.6-12.900108.8L807L807-Q809 PolarHBondContact O-N 3.32Å
810P81.2Confident72.1Confident19 Ų1964 Ų6412%0.12334%0.336CS..PPolyproline II helixtrans-66.2141.2178.528.1-34000110.3L829 L834 L847 D848P810-L829 WeakPolarHBondContact O-CD1 3.48Å; P810-L834 HydrophobicContact CB-CD1 3.83Å; P810-L834 HydrophobicContact CB-CG 4.33Å; P810-L834 HydrophobicContact CG-CD1 3.94Å; P810-L834 HydrophobicContact CG-CG 4.1Å; P810-L847 HydrophobicContact CB-CD1 3.99Å; P810-D848 VanDerWaalsContact CA-O 3.26Å; P810-D848 WeakPolarHBondContact CA-O 3.1Å
811I85.4Confident73.3Confident28 Ų2865 Ų6514%0.14434%0.338CS..EExtended strand (participates in β ladder)trans-116.6128176.2-47.5-179.8000108.5I15 Y813 Q826 L847 D848 M880I15-I811 HydrophobicContact CG1-CD1 4.17Å; I811-Y813 HydrophobicContact CB-CE2 4.08Å; I811-Y813 HydrophobicContact CG2-CD2 4.21Å; I811-Y813 HydrophobicContact CG2-CE1 4.02Å; I811-Y813 HydrophobicContact CG2-CE2 3.58Å; I811-Y813 VanDerWaalsContact CG2-CZ 3.47Å; I811-Q826 HydrophobicContact CG2-CG 3.9Å; I811-L847 WeakPolarHBondContact O-CA 3.2Å; I811-D848 PolarHBondContact N-O 3.3Å; I811-D848 PolarHBondContact O-N 3.3Å; I811-M880 HydrophobicContact CD1-SD 4.19Å
812L92.5Very high74.7Confident1 Ų164.3 Ų64.31%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-111.8124177-172.668.7000108.9V827 L829 L834 L838 L839 Y845 I846 L847L812-V827 HydrophobicContact CB-CB 4.25Å; L812-V827 HydrophobicContact CB-CG2 4.43Å; L812-V827 HydrophobicContact CD2-CB 4.1Å; L812-V827 HydrophobicContact CD2-CG1 4.25Å; L812-V827 HydrophobicContact CD2-CG2 4.05Å; L812-V827 HydrophobicContact CG-CB 4.27Å; L812-V827 HydrophobicContact CG-CG2 4.03Å; L812-V827 PolarHBondContact O-N 3.41Å; L812-L829 HydrophobicContact CB-CD2 4.2Å; L812-L829 HydrophobicContact CD2-CD2 4.36Å; L812-L834 HydrophobicContact CB-CD2 3.96Å; L812-L834 HydrophobicContact CD2-CD2 4.15Å; L812-L834 HydrophobicContact CG-CD2 4.48Å; L812-L838 HydrophobicContact CD2-CB 3.99Å; L812-L838 HydrophobicContact CD2-CD1 4.09Å; L812-L839 HydrophobicContact CD1-CD2 4.41Å; L812-L839 HydrophobicContact CD2-CD2 4.39Å; L812-Y845 HydrophobicContact CD1-CD1 4.44Å; L812-Y845 HydrophobicContact CD1-CG 4.49Å; L812-Y845 HydrophobicContact CG-CD1 4.36Å; L812-I846 WeakPolarHBondContact CA-O 3.49Å; L812-L847 HydrophobicContact CD1-CB 4.02Å
813Y93Very high76.3Confident0 Ų062.3 Ų62.30%032%0.32CS..EExtended strand (participates in β ladder)trans-112.4143.9173.5-55-88.7000110.1I15 I811 L824 Q826 Y845 I846 L876 M880I15-Y813 WeakPolarHBondContact CD1-OH 3.23Å; I811-Y813 HydrophobicContact CB-CE2 4.08Å; I811-Y813 HydrophobicContact CG2-CD2 4.21Å; I811-Y813 HydrophobicContact CG2-CE1 4.02Å; I811-Y813 HydrophobicContact CG2-CE2 3.58Å; I811-Y813 VanDerWaalsContact CG2-CZ 3.47Å; Y813-L824 HydrophobicContact CD1-CD2 4.43Å; Y813-L824 HydrophobicContact CD1-CG 4.2Å; Y813-L824 HydrophobicContact CG-CG 4.48Å; Y813-Q826 HydrophobicContact CD1-CB 4.26Å; Y813-Q826 HydrophobicContact CE1-CB 4.33Å; Y813-Y845 VanDerWaalsContact O-CA 3.28Å; Y813-Y845 WeakPolarHBondContact O-CA 3.33Å; Y813-I846 HydrophobicContact CD2-CB 4.46Å; Y813-I846 PolarHBondContact N-O 3.38Å; Y813-I846 PolarHBondContact O-N 2.89Å; Y813-L876 HydrophobicContact CD2-CD1 4.19Å; Y813-L876 HydrophobicContact CE2-CD1 4.29Å; Y813-M880 HydrophobicContact CE2-CE 4.11Å; Y813-M880 WeakPolarHBondContact OH-CE 3.28Å
814D93.9Very high78.1Confident18 Ų1855.6 Ų55.610%0.09628%0.278CS..EExtended strand (participates in β ladder)trans-106.5127.8174.6-169.8-14.6000109.7P825 V827 H843 Y845D814-P825 HydrophobicContact CB-CG 4.32Å; D814-P825 PolarHBondContact N-O 2.82Å; D814-P825 VanDerWaalsContact N-O 3.08Å; D814-P825 WeakPolarHBondContact O-CD 3.41Å; D814-V827 HydrophobicContact CB-CG2 4.11Å; D814-H843 IonicContact OD1-CE1 3.5Å; D814-H843 IonicContact OD1-CG 2.71Å; D814-H843 IonicContact OD1-ND1 3.69Å; D814-H843 PolarHBondContact OD1-ND1 3.37Å; D814-H843 IonicContact OD2-CE1 3.04Å; D814-H843 IonicContact OD2-CG 2.71Å; D814-H843 IonicContact OD2-ND1 3.52Å; D814-H843 PolarHBondContact OD2-ND1 2.67Å; D814-Y845 HydrophobicContact CB-CD1 3.9Å; D814-Y845 HydrophobicContact CB-CE1 3.68Å; D814-Y845 WeakPolarHBondContact OD2-CE1 3.4Å
815V93.1Very high79.8Confident0 Ų051 Ų510%026%0.255CS..  trans-98.195.8-178-175.80000108.8L822 L824 V844 I846 L865 A868 L872V815-L822 HydrophobicContact CG1-CD1 4.35Å; V815-L824 HydrophobicContact CG2-CD1 3.88Å; V815-V844 HydrophobicContact CB-CB 4.35Å; V815-V844 WeakPolarHBondContact CB-O 3.44Å; V815-V844 WeakPolarHBondContact CG2-O 3.41Å; V815-V844 PolarHBondContact N-O 2.96Å; V815-I846 HydrophobicContact CG2-CD1 3.79Å; V815-I846 HydrophobicContact CG2-CG1 4.02Å; V815-L865 HydrophobicContact CG1-CD2 4.42Å; V815-A868 HydrophobicContact CG1-CB 4.45Å; V815-L872 HydrophobicContact CG1-CD1 3.84Å; V815-L872 HydrophobicContact CG2-CD1 4.3Å
816Q88.3Confident81.1Confident57 Ų5750.2 Ų50.227%0.26625%0.254SS..EExtended strand (participates in β ladder)trans-128.4163.7-169.965.8163.920.900114.3E823 P825Q816-E823 HydrophobicContact CG-CB 4.39Å; Q816-E823 PolarHBondContact N-O 2.65Å; Q816-E823 PolarHBondContact NE2-OE2 3.28Å; Q816-E823 PolarHBondContact O-N 3.06Å; Q816-P825 HydrophobicContact CG-CG 4.14Å
817M83.3Confident82.5Confident98 Ų9844.1 Ų44.148%0.48323%0.227SC..EExtended strand (participates in β ladder)trans-99.294173.2-71.8-65-65.900111.4Y821 L822 F864 L865M817-Y821 CarbonylContact C-O 3.49Å; M817-Y821 VanDerWaalsContact C-O 3.27Å; M817-Y821 WeakPolarHBondContact CA-O 3.39Å; M817-L822 HydrophobicContact SD-CB 4.38Å; M817-L822 HydrophobicContact SD-CD1 4.04Å; M817-F864 HydrophobicContact SD-CE1 4.05Å; M817-L865 HydrophobicContact CG-CD2 4.25Å
818G66Low83.4Confident9 Ų949.6 Ų49.69%0.09325%0.252CS..EExtended strand (participates in β ladder)trans-88.7129.6175.800000113G820 Y821G818-G820 PolarHBondContact O-N 2.77Å; G818-Y821 PolarHBondContact N-O 3.34Å; G818-Y821 PolarHBondContact O-N 2.77Å; G818-Y821 VanDerWaalsContact O-O 3.06Å
819R67Low84.2Confident196 Ų19648.8 Ų48.874%0.7425%0.245SC*.THydrogen-bonded Turntrans53.323.8175.4-58.8179.5173.5-174.5-2.7115.5Y821R819-Y821 HydrophobicContact CB-CD2 4.47Å; R819-Y821 WeakPolarHBondContact O-CD2 3.34Å; R819-Y821 WeakPolarHBondContact O-CE2 3.36Å
820G67.9Low84.2Confident62 Ų6250.2 Ų50.264%0.63925%0.252SS*.THydrogen-bonded Turntrans91.39-176.400000115.3G818G818-G820 PolarHBondContact O-N 2.77Å
821Y80.5Confident83.6Confident90 Ų9056.7 Ų56.735%0.35329%0.285SS..EExtended strand (participates in β ladder)trans-134.5175.7179.3-49.4-89.5000110.7R8 M817 G818 R819R8-Y821 HydrophobicContact CG-CD1 4.06Å; R8-Y821 HydrophobicContact CG-CD2 3.74Å; R8-Y821 HydrophobicContact CG-CG 3.43Å; R8-Y821 VanDerWaalsContact CG-CG 3.43Å; M817-Y821 CarbonylContact C-O 3.49Å; M817-Y821 VanDerWaalsContact C-O 3.27Å; M817-Y821 WeakPolarHBondContact CA-O 3.39Å; G818-Y821 PolarHBondContact N-O 3.34Å; G818-Y821 PolarHBondContact O-N 2.77Å; G818-Y821 VanDerWaalsContact O-O 3.06Å; R819-Y821 HydrophobicContact CB-CD2 4.47Å; R819-Y821 WeakPolarHBondContact O-CD2 3.34Å; R819-Y821 WeakPolarHBondContact O-CE2 3.36Å
822L85.9Confident83Confident3 Ų356.6 Ų56.62%0.01629%0.291CS..EExtended strand (participates in β ladder)trans-81.2139.4177.6-164.467.3000110.6V3 Y6 L7 R8 V815 M817 L872V3-L822 HydrophobicContact CG1-CD2 3.54Å; Y6-L822 PolarHBondContact O-N 2.93Å; L7-L822 CarbonylContact C-O 3.6Å; L7-L822 WeakPolarHBondContact CA-O 3.3Å; L7-L822 HydrophobicContact CD1-CB 4.45Å; L7-L822 HydrophobicContact CD1-CD2 4.47Å; L7-L822 HydrophobicContact CD1-CG 4.25Å; R8-L822 PolarHBondContact N-O 3.46Å; V815-L822 HydrophobicContact CG1-CD1 4.35Å; M817-L822 HydrophobicContact SD-CB 4.38Å; M817-L822 HydrophobicContact SD-CD1 4.04Å; L822-L872 HydrophobicContact CD2-CD1 4.18Å
823E89.5Confident82.2Confident19 Ų1959.5 Ų59.59%0.08931%0.306CS..EExtended strand (participates in β ladder)trans-134.9149.3170.9-65.1-169.414200110.4R8 W64 Q816 P825R8-E823 HydrophobicContact CB-CG 4.4Å; W64-E823 PolarHBondContact NE1-OE1 3.23Å; Q816-E823 HydrophobicContact CG-CB 4.39Å; Q816-E823 PolarHBondContact N-O 2.65Å; Q816-E823 PolarHBondContact NE2-OE2 3.28Å; Q816-E823 PolarHBondContact O-N 3.06Å; E823-P825 VanDerWaalsContact C-CD 3.46Å
824L91.9Very high81.9Confident4 Ų459.5 Ų59.52%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-125.972.6176.4-169.169.5000110.4L7 G9 L10 D11 Y813 V815 L872 L876L7-L824 HydrophobicContact CD1-CB 4.07Å; G9-L824 PolarHBondContact O-N 3.07Å; L10-L824 HydrophobicContact CD1-CB 4.17Å; L10-L824 HydrophobicContact CD1-CD2 4.04Å; L10-L824 HydrophobicContact CD1-CG 4.48Å; D11-L824 PolarHBondContact N-O 3.15Å; Y813-L824 HydrophobicContact CD1-CD2 4.43Å; Y813-L824 HydrophobicContact CD1-CG 4.2Å; Y813-L824 HydrophobicContact CG-CG 4.48Å; V815-L824 HydrophobicContact CG2-CD1 3.88Å; L824-L872 HydrophobicContact CD1-CD1 4.38Å; L824-L876 HydrophobicContact CD2-CD1 4.37Å
825P90.7Very high81.5Confident26 Ų2659.7 Ų59.717%0.16931%0.309CS..PPolyproline II helixtrans-67.3140.9169.229.6-35.9000111.6D814 Q816 E823D814-P825 HydrophobicContact CB-CG 4.32Å; D814-P825 PolarHBondContact N-O 2.82Å; D814-P825 VanDerWaalsContact N-O 3.08Å; D814-P825 WeakPolarHBondContact O-CD 3.41Å; Q816-P825 HydrophobicContact CG-CG 4.14Å; E823-P825 VanDerWaalsContact C-CD 3.46Å
826Q90.6Very high81.2Confident41 Ų4164.7 Ų64.719%0.19233%0.331CS..BIsolated β-bridgetrans-79.3130.3164-178.2-179.8-4.600108.5D11 S13 I811 Y813D11-Q826 HydrophobicContact CB-CB 3.79Å; S13-Q826 PolarHBondContact O-NE2 3.45Å; S13-Q826 PolarHBondContact O-OE1 3.27Å; S13-Q826 VanDerWaalsContact O-OE1 3.09Å; I811-Q826 HydrophobicContact CG2-CG 3.9Å; Y813-Q826 HydrophobicContact CD1-CB 4.26Å; Y813-Q826 HydrophobicContact CE1-CB 4.33Å
827V90.2Very high81.2Confident32 Ų3272.6 Ų72.619%0.19436%0.358CS..PPolyproline II helixtrans-74.4126.7179.3-176.40000109.1L812 D814 L829 L838 Y845L812-V827 HydrophobicContact CB-CB 4.25Å; L812-V827 HydrophobicContact CB-CG2 4.43Å; L812-V827 HydrophobicContact CD2-CB 4.1Å; L812-V827 HydrophobicContact CD2-CG1 4.25Å; L812-V827 HydrophobicContact CD2-CG2 4.05Å; L812-V827 HydrophobicContact CG-CB 4.27Å; L812-V827 HydrophobicContact CG-CG2 4.03Å; L812-V827 PolarHBondContact O-N 3.41Å; D814-V827 HydrophobicContact CB-CG2 4.11Å; V827-L829 HydrophobicContact CG1-CD2 4.35Å; V827-L829 PolarHBondContact O-N 3.09Å; V827-L829 VanDerWaalsContact O-N 3.09Å; V827-L838 HydrophobicContact CG1-CD1 4.37Å; V827-L838 HydrophobicContact CG1-CD2 4.13Å; V827-Y845 HydrophobicContact CG2-CE1 4.5Å
828E83.8Confident81.5Confident156 Ų15670.2 Ų70.273%0.72935%0.347SS*.  trans-72104.4177.9-66.3-164.2173.300110.2E830E828-E830 PolarHBondContact O-N 2.93Å
829L82.5Confident82.7Confident33 Ų3370.8 Ų70.817%0.17335%0.348CS..  trans-80.7115-177.5-58-172.7000111.7P810 L812 V827 N831 G832 L834 L838P810-L829 WeakPolarHBondContact O-CD1 3.48Å; L812-L829 HydrophobicContact CB-CD2 4.2Å; L812-L829 HydrophobicContact CD2-CD2 4.36Å; V827-L829 HydrophobicContact CG1-CD2 4.35Å; V827-L829 PolarHBondContact O-N 3.09Å; V827-L829 VanDerWaalsContact O-N 3.09Å; L829-N831 PolarHBondContact O-N 3.13Å; L829-N831 VanDerWaalsContact O-N 3.12Å; L829-G832 PolarHBondContact O-N 3.07Å; L829-L834 HydrophobicContact CD1-CD2 3.78Å; L829-L834 HydrophobicContact CD1-CG 4.26Å; L829-L834 HydrophobicContact CD2-CD2 3.85Å; L829-L838 HydrophobicContact CD2-CD1 3.51Å
830E70.2Confident83.8Confident163 Ų16364.6 Ų64.676%0.76233%0.329SS*.G310 helixtrans-55.5118.8174.1-68.6-167.7171.900110.9E828 G832 L833E828-E830 PolarHBondContact O-N 2.93Å; E830-G832 PolarHBondContact O-N 3.36Å; E830-G832 VanDerWaalsContact O-N 3.07Å; E830-L833 WeakPolarHBondContact O-CB 3.28Å; E830-L833 PolarHBondContact O-N 3.16Å
831N69.6Low84.9Confident154 Ų15462.7 Ų62.782%0.82431%0.307SS*.G310 helixtrans56.218.2-176.3-52.6-73.3000115.2L829 L833L829-N831 PolarHBondContact O-N 3.13Å; L829-N831 VanDerWaalsContact O-N 3.12Å; N831-L833 VanDerWaalsContact C-N 3.29Å; N831-L833 HydrophobicContact CB-CD1 4.35Å; N831-L833 HydrophobicContact CB-CG 4.25Å
832G72.3Confident85.3Confident26 Ų2664.5 Ų64.527%0.26832%0.316SS..G310 helixtrans70.424.5-172.200000113.5L829 E830L829-G832 PolarHBondContact O-N 3.07Å; E830-G832 PolarHBondContact O-N 3.36Å; E830-G832 VanDerWaalsContact O-N 3.07Å
833L77.1Confident85.6Confident62 Ų6266.6 Ų66.633%0.32533%0.326SS..  trans-106.2135.1177.6-55179.2000110.2E830 N831 C938E830-L833 WeakPolarHBondContact O-CB 3.28Å; E830-L833 PolarHBondContact O-N 3.16Å; N831-L833 VanDerWaalsContact C-N 3.29Å; N831-L833 HydrophobicContact CB-CD1 4.35Å; N831-L833 HydrophobicContact CB-CG 4.25Å; L833-C938 HydrophobicContact CB-CB 4.42Å
834L85.9Confident85.8Confident0 Ų065.7 Ų65.70%032%0.322CS..BIsolated β-bridgetrans-80.7127.3169.7-66.3165.2000109P810 L812 L829 L847 Q936 F937 C938P810-L834 HydrophobicContact CB-CD1 3.83Å; P810-L834 HydrophobicContact CB-CG 4.33Å; P810-L834 HydrophobicContact CG-CD1 3.94Å; P810-L834 HydrophobicContact CG-CG 4.1Å; L812-L834 HydrophobicContact CB-CD2 3.96Å; L812-L834 HydrophobicContact CD2-CD2 4.15Å; L812-L834 HydrophobicContact CG-CD2 4.48Å; L829-L834 HydrophobicContact CD1-CD2 3.78Å; L829-L834 HydrophobicContact CD1-CG 4.26Å; L829-L834 HydrophobicContact CD2-CD2 3.85Å; L834-L847 HydrophobicContact CD1-CD1 3.68Å; L834-L847 HydrophobicContact CD1-CD2 4.07Å; L834-L847 HydrophobicContact CD2-CD1 4.12Å; L834-Q936 HydrophobicContact CD1-CB 3.8Å; L834-F937 HydrophobicContact CB-CB 4.46Å; L834-F937 HydrophobicContact CB-CD1 3.58Å; L834-F937 HydrophobicContact CB-CE1 3.91Å; L834-F937 HydrophobicContact CB-CG 4.03Å; L834-F937 CarbonylContact O-C 3.53Å; L834-F937 VanDerWaalsContact O-CA 3.27Å; L834-F937 WeakPolarHBondContact O-CA 2.84Å; L834-C938 PolarHBondContact O-N 2.74Å; L834-C938 PolarHBondContact O-SG 2.99Å
835S85.6Confident86Confident22 Ų2266 Ų6615%0.15432%0.323CS..  trans-112.3142.4170.2161.40000110.4R837 L838 D939S835-R837 PolarHBondContact O-N 3.37Å; S835-R837 VanDerWaalsContact O-N 3.17Å; S835-R837 WeakPolarHBondContact OG-CB 3.39Å; S835-R837 WeakPolarHBondContact OG-CG 3.08Å; S835-R837 PolarHBondContact OG-N 3.04Å; S835-R837 VanDerWaalsContact OG-N 3.11Å; S835-L838 VanDerWaalsContact O-CB 3.26Å; S835-L838 WeakPolarHBondContact O-CB 3.27Å; S835-L838 VanDerWaalsContact O-CG 3.28Å; S835-L838 WeakPolarHBondContact O-CG 3.26Å; S835-L838 PolarHBondContact O-N 3.06Å; S835-D939 WeakPolarHBondContact CA-OD1 2.92Å; S835-D939 WeakPolarHBondContact CB-OD2 3.41Å; S835-D939 VanDerWaalsContact OG-CG 3.31Å; S835-D939 PolarHBondContact OG-OD1 3.31Å; S835-D939 PolarHBondContact OG-OD2 3.47Å
836K87.3Confident86.1Confident105 Ų10564.8 Ų64.846%0.45732%0.315SS..G310 helixtrans-55.8-28173.4-179.2177.8-177.4-174.10111.7L838 L839 D939 W940K836-L838 PolarHBondContact O-N 3.08Å; K836-L838 VanDerWaalsContact O-N 3.17Å; K836-L839 PolarHBondContact O-N 2.77Å; K836-D939 PolarHBondContact N-OD1 3.06Å; K836-W940 HydrophobicContact CB-CD2 4.22Å; K836-W940 HydrophobicContact CB-CE3 3.74Å; K836-W940 HydrophobicContact CB-CZ3 4.18Å; K836-W940 HydrophobicContact CD-CD2 3.75Å; K836-W940 HydrophobicContact CD-CE3 3.93Å; K836-W940 HydrophobicContact CD-CG 4.24Å; K836-W940 HydrophobicContact CD-CH2 4.26Å; K836-W940 HydrophobicContact CD-CZ2 4.08Å; K836-W940 HydrophobicContact CD-CZ3 4.19Å; K836-W940 HydrophobicContact CG-CD2 4.03Å; K836-W940 HydrophobicContact CG-CE3 3.67Å; K836-W940 HydrophobicContact CG-CH2 4.13Å; K836-W940 HydrophobicContact CG-CZ2 4.46Å; K836-W940 HydrophobicContact CG-CZ3 3.73Å
837R87.1Confident86.1Confident224 Ų22463 Ų6385%0.84531%0.306SS*.G310 helixtrans-65.2-12.1176.8-56.2175.6-176.1-165.3-2.3113.6S835 L839 D939S835-R837 PolarHBondContact O-N 3.37Å; S835-R837 VanDerWaalsContact O-N 3.17Å; S835-R837 WeakPolarHBondContact OG-CB 3.39Å; S835-R837 WeakPolarHBondContact OG-CG 3.08Å; S835-R837 PolarHBondContact OG-N 3.04Å; S835-R837 VanDerWaalsContact OG-N 3.11Å; R837-L839 VanDerWaalsContact C-N 3.32Å; R837-D939 IonicContact NE-OD2 3.31Å
838L89.5Confident85.9Confident48 Ų4861.9 Ų61.925%0.25130%0.299SS..G310 helixtrans-82.2-4.1177.7-56.7175.2000113.7L812 V827 L829 S835 K836 Y845L812-L838 HydrophobicContact CD2-CB 3.99Å; L812-L838 HydrophobicContact CD2-CD1 4.09Å; V827-L838 HydrophobicContact CG1-CD1 4.37Å; V827-L838 HydrophobicContact CG1-CD2 4.13Å; L829-L838 HydrophobicContact CD2-CD1 3.51Å; S835-L838 VanDerWaalsContact O-CB 3.26Å; S835-L838 WeakPolarHBondContact O-CB 3.27Å; S835-L838 VanDerWaalsContact O-CG 3.28Å; S835-L838 WeakPolarHBondContact O-CG 3.26Å; S835-L838 PolarHBondContact O-N 3.06Å; K836-L838 PolarHBondContact O-N 3.08Å; K836-L838 VanDerWaalsContact O-N 3.17Å; L838-Y845 WeakPolarHBondContact O-CE1 3.47Å; L838-Y845 VanDerWaalsContact O-CZ 3.32Å; L838-Y845 PolarHBondContact O-OH 2.64Å
839L91.3Very high85.7Confident21 Ų2155.2 Ų55.211%0.1127%0.27CS..  trans-110.5101.8-175.6-53-179.4000111.9L812 K836 R837 Y845 W856 F933 F937 W940L812-L839 HydrophobicContact CD1-CD2 4.41Å; L812-L839 HydrophobicContact CD2-CD2 4.39Å; K836-L839 PolarHBondContact O-N 2.77Å; R837-L839 VanDerWaalsContact C-N 3.32Å; L839-Y845 HydrophobicContact CB-CD2 4.39Å; L839-Y845 HydrophobicContact CB-CE2 4.2Å; L839-Y845 HydrophobicContact CD2-CD1 4.27Å; L839-Y845 HydrophobicContact CD2-CD2 3.57Å; L839-Y845 HydrophobicContact CD2-CE2 4.05Å; L839-Y845 HydrophobicContact CD2-CG 3.7Å; L839-W856 HydrophobicContact CB-CE3 4.37Å; L839-W856 HydrophobicContact CB-CH2 3.82Å; L839-W856 HydrophobicContact CB-CZ2 4.05Å; L839-W856 HydrophobicContact CB-CZ3 4.01Å; L839-W856 HydrophobicContact CD1-CD2 4.02Å; L839-W856 HydrophobicContact CD1-CG 4.21Å; L839-W856 HydrophobicContact CD1-CZ2 4.2Å; L839-F933 HydrophobicContact CD1-CE1 4.35Å; L839-F933 HydrophobicContact CD1-CZ 4.18Å; L839-F937 HydrophobicContact CD1-CE1 4.07Å; L839-F937 HydrophobicContact CD1-CZ 3.95Å; L839-F937 HydrophobicContact CG-CE1 4.32Å; L839-W940 HydrophobicContact CD1-CH2 4.43Å; L839-W940 HydrophobicContact CD1-CZ3 3.87Å
840D90Very high85Confident65 Ų6554.2 Ų54.235%0.34827%0.267SS..  trans-82.5132.8170.2-171.7-41.1000110.9K842 H843 Y845 W856D840-K842 PolarHBondContact O-N 2.92Å; D840-K842 WeakPolarHBondContact OD1-CB 3.21Å; D840-K842 WeakPolarHBondContact OD1-CG 3.43Å; D840-K842 PolarHBondContact OD1-N 3.09Å; D840-K842 IonicContact OD2-NZ 2.76Å; D840-H843 HydrophobicContact CB-CB 4.48Å; D840-H843 PolarHBondContact O-N 3.07Å; D840-Y845 PolarHBondContact N-OH 2.91Å; D840-W856 WeakPolarHBondContact O-CZ3 2.86Å
841S90.9Very high84.9Confident23 Ų2346.5 Ų46.516%0.16123%0.232CC..THydrogen-bonded Turntrans-49.7-26.4172.7-71.10000115.9G858 E859 K860 S861 Q926S841-G858 CarbonylContact O-C 3.56Å; S841-G858 WeakPolarHBondContact O-CA 3.31Å; S841-E859 PolarHBondContact O-N 2.88Å; S841-K860 CarbonylContact O-C 3.57Å; S841-K860 WeakPolarHBondContact O-CA 3.24Å; S841-K860 WeakPolarHBondContact O-CB 2.97Å; S841-K860 PolarHBondContact O-N 3.01Å; S841-S861 PolarHBondContact O-N 3.41Å; S841-S861 VanDerWaalsContact O-N 3.08Å; S841-Q926 VanDerWaalsContact CA-OE1 3.31Å; S841-Q926 VanDerWaalsContact CB-OE1 3.26Å; S841-Q926 PolarHBondContact OG-NE2 3.18Å; S841-Q926 PolarHBondContact OG-OE1 2.91Å
842K89.9Confident85.3Confident128 Ų12839.7 Ų39.756%0.55720%0.195SC*.THydrogen-bonded Turntrans-82.3-15.2-179.6-58.6160.2-169.2154.10112.8D840 K860 S861D840-K842 PolarHBondContact O-N 2.92Å; D840-K842 WeakPolarHBondContact OD1-CB 3.21Å; D840-K842 WeakPolarHBondContact OD1-CG 3.43Å; D840-K842 PolarHBondContact OD1-N 3.09Å; D840-K842 IonicContact OD2-NZ 2.76Å; K842-K860 HydrophobicContact CG-CB 4.33Å; K842-S861 VanDerWaalsContact O-CA 3.26Å; K842-S861 WeakPolarHBondContact O-CA 3.41Å; K842-S861 WeakPolarHBondContact O-CB 3Å
843H92.4Very high86Confident47 Ų4738.5 Ų38.522%0.21818%0.182CC..SBendtrans-104.4171.4-171.5-77.6-124.2000112.4D814 D840 Y845 G858 S861D814-H843 IonicContact OD1-CE1 3.5Å; D814-H843 IonicContact OD1-CG 2.71Å; D814-H843 IonicContact OD1-ND1 3.69Å; D814-H843 PolarHBondContact OD1-ND1 3.37Å; D814-H843 IonicContact OD2-CE1 3.04Å; D814-H843 IonicContact OD2-CG 2.71Å; D814-H843 IonicContact OD2-ND1 3.52Å; D814-H843 PolarHBondContact OD2-ND1 2.67Å; D840-H843 HydrophobicContact CB-CB 4.48Å; D840-H843 PolarHBondContact O-N 3.07Å; H843-Y845 HydrophobicContact CB-CD2 4.31Å; H843-Y845 HydrophobicContact CB-CE1 4.45Å; H843-Y845 HydrophobicContact CB-CE2 3.47Å; H843-Y845 VanDerWaalsContact CB-CE2 3.47Å; H843-Y845 WeakPolarHBondContact CB-OH 3.43Å; H843-G858 PolarHBondContact O-N 3.42Å; H843-G858 VanDerWaalsContact O-N 3.15Å; H843-S861 WeakPolarHBondContact O-CB 2.98Å
844V93Very high86.6Confident0 Ų035.6 Ų35.60%017%0.167CC..EExtended strand (participates in β ladder)trans-128.9125.6174.51790000107.6V815 L855 M857 L865 R866V815-V844 HydrophobicContact CB-CB 4.35Å; V815-V844 WeakPolarHBondContact CB-O 3.44Å; V815-V844 WeakPolarHBondContact CG2-O 3.41Å; V815-V844 PolarHBondContact N-O 2.96Å; V844-L855 HydrophobicContact CG1-CD1 3.72Å; V844-M857 HydrophobicContact CG1-CG 4.32Å; V844-L865 HydrophobicContact CG2-CB 3.97Å; V844-R866 HydrophobicContact CG2-CG 4.03Å
845Y95.6Very high86.9Confident11 Ų1135.6 Ų35.64%0.04317%0.167CC..EExtended strand (participates in β ladder)trans-117.1141.5-174.3-60.6-88000111.6L812 Y813 D814 V827 L838 L839 D840 H843 W856L812-Y845 HydrophobicContact CD1-CD1 4.44Å; L812-Y845 HydrophobicContact CD1-CG 4.49Å; L812-Y845 HydrophobicContact CG-CD1 4.36Å; Y813-Y845 VanDerWaalsContact O-CA 3.28Å; Y813-Y845 WeakPolarHBondContact O-CA 3.33Å; D814-Y845 HydrophobicContact CB-CD1 3.9Å; D814-Y845 HydrophobicContact CB-CE1 3.68Å; D814-Y845 WeakPolarHBondContact OD2-CE1 3.4Å; V827-Y845 HydrophobicContact CG2-CE1 4.5Å; L838-Y845 WeakPolarHBondContact O-CE1 3.47Å; L838-Y845 VanDerWaalsContact O-CZ 3.32Å; L838-Y845 PolarHBondContact O-OH 2.64Å; L839-Y845 HydrophobicContact CB-CD2 4.39Å; L839-Y845 HydrophobicContact CB-CE2 4.2Å; L839-Y845 HydrophobicContact CD2-CD1 4.27Å; L839-Y845 HydrophobicContact CD2-CD2 3.57Å; L839-Y845 HydrophobicContact CD2-CE2 4.05Å; L839-Y845 HydrophobicContact CD2-CG 3.7Å; D840-Y845 PolarHBondContact N-OH 2.91Å; H843-Y845 HydrophobicContact CB-CD2 4.31Å; H843-Y845 HydrophobicContact CB-CE1 4.45Å; H843-Y845 HydrophobicContact CB-CE2 3.47Å; H843-Y845 VanDerWaalsContact CB-CE2 3.47Å; H843-Y845 WeakPolarHBondContact CB-OH 3.43Å; Y845-W856 AromaticContact CD2-CE3 3.7Å; Y845-W856 HydrophobicContact CD2-CE3 3.7Å; Y845-W856 AromaticContact CD2-CZ3 3.91Å; Y845-W856 HydrophobicContact CD2-CZ3 3.91Å; Y845-W856 HydrophobicContact CE2-CE3 4.3Å; Y845-W856 HydrophobicContact CE2-CZ3 4.04Å; Y845-W856 PolarHBondContact N-O 3.06Å; Y845-W856 PolarHBondContact O-N 2.74Å
846I93Very high87.3Confident0 Ų034.9 Ų34.90%016%0.161CC..EExtended strand (participates in β ladder)trans-110.2117173.9-54171000107.3L812 Y813 V815 L853 L855 L872 A873 L876L812-I846 WeakPolarHBondContact CA-O 3.49Å; Y813-I846 HydrophobicContact CD2-CB 4.46Å; Y813-I846 PolarHBondContact N-O 3.38Å; Y813-I846 PolarHBondContact O-N 2.89Å; V815-I846 HydrophobicContact CG2-CD1 3.79Å; V815-I846 HydrophobicContact CG2-CG1 4.02Å; I846-L853 HydrophobicContact CG2-CD2 3.66Å; I846-L855 HydrophobicContact CG1-CD1 4.01Å; I846-L872 HydrophobicContact CD1-CB 3.98Å; I846-A873 HydrophobicContact CD1-CB 4.03Å; I846-A873 HydrophobicContact CG1-CB 4.27Å; I846-A873 HydrophobicContact CG2-CB 4.09Å; I846-L876 HydrophobicContact CD1-CD1 3.88Å; I846-L876 HydrophobicContact CG2-CD1 4.04Å
847L91.7Very high87.5Confident3 Ų331.3 Ų31.32%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-109.6111.9178167.358.9000109.6P810 I811 L812 L834 F854 F933 Q936 F937P810-L847 HydrophobicContact CB-CD1 3.99Å; I811-L847 WeakPolarHBondContact O-CA 3.2Å; L812-L847 HydrophobicContact CD1-CB 4.02Å; L834-L847 HydrophobicContact CD1-CD1 3.68Å; L834-L847 HydrophobicContact CD1-CD2 4.07Å; L834-L847 HydrophobicContact CD2-CD1 4.12Å; L847-F854 HydrophobicContact CB-CB 4.32Å; L847-F854 HydrophobicContact CD2-CD2 4.32Å; L847-F854 HydrophobicContact CG-CD2 4.33Å; L847-F854 PolarHBondContact N-O 3.48Å; L847-F854 PolarHBondContact O-N 3.17Å; L847-F933 HydrophobicContact CD2-CD2 4.23Å; L847-F933 HydrophobicContact CD2-CE2 3.91Å; L847-Q936 HydrophobicContact CD2-CB 4.29Å; L847-Q936 HydrophobicContact CD2-CG 4.44Å; L847-F937 HydrophobicContact CD2-CE2 4.04Å; L847-F937 HydrophobicContact CD2-CZ 4.17Å
848D85.5Confident87.7Confident9 Ų920.7 Ų20.75%0.04811%0.107CC..EExtended strand (participates in β ladder)trans-91.8122.3166.5-155.1-36.5000109.9P810 I811 G850 L853 M880 R882P810-D848 VanDerWaalsContact CA-O 3.26Å; P810-D848 WeakPolarHBondContact CA-O 3.1Å; I811-D848 PolarHBondContact N-O 3.3Å; I811-D848 PolarHBondContact O-N 3.3Å; D848-G850 WeakPolarHBondContact OD1-CA 3.29Å; D848-G850 PolarHBondContact OD1-N 3.09Å; D848-L853 HydrophobicContact CB-CD2 3.72Å; D848-L853 HydrophobicContact CB-CG 4.39Å; D848-M880 HydrophobicContact CB-CE 4.48Å; D848-R882 IonicContact OD1-NE 3.81Å; D848-R882 PolarHBondContact OD1-NE 3.18Å; D848-R882 IonicContact OD2-CZ 3.01Å; D848-R882 VanDerWaalsContact OD2-CZ 3.3Å; D848-R882 IonicContact OD2-NE 2.68Å; D848-R882 PolarHBondContact OD2-NE 3.23Å; D848-R882 VanDerWaalsContact OD2-NE 3.09Å; D848-R882 IonicContact OD2-NH2 3.34Å; D848-R882 PolarHBondContact OD2-NH2 3.1Å
849S78.7Confident87.6Confident15 Ų1524.5 Ų24.511%0.10512%0.123CC..  trans-98.26.3176.267.50000113.3G851 Q852S849-G851 PolarHBondContact O-N 2.65Å; S849-G851 VanDerWaalsContact O-N 3.13Å; S849-Q852 PolarHBondContact N-O 2.83Å; S849-Q852 PolarHBondContact OG-N 2.79Å; S849-Q852 PolarHBondContact OG-O 3.3Å
850G68.5Low87.4Confident12 Ų1230.6 Ų30.612%0.12415%0.149CC..SBendtrans80-23.5-178.600000115D848 R882D848-G850 WeakPolarHBondContact OD1-CA 3.29Å; D848-G850 PolarHBondContact OD1-N 3.09Å; G850-R882 WeakPolarHBondContact O-CA 3.29Å; G850-R882 VanDerWaalsContact O-CB 3.23Å; G850-R882 WeakPolarHBondContact O-CB 3.33Å; G850-R882 WeakPolarHBondContact O-CG 3.06Å
851G68.4Low87.3Confident2 Ų227.7 Ų27.72%0.02113%0.134CC..SBendtrans-114.2-18.617100000114.4S849S849-G851 PolarHBondContact O-N 2.65Å; S849-G851 VanDerWaalsContact O-N 3.13Å
852Q78Confident87Confident10 Ų1029.3 Ų29.35%0.04715%0.145CC..  trans-153.6141.1-177.2-172174.98.100110.7S849 F854S849-Q852 PolarHBondContact N-O 2.83Å; S849-Q852 PolarHBondContact OG-N 2.79Å; S849-Q852 PolarHBondContact OG-O 3.3Å; Q852-F854 HydrophobicContact CB-CE2 4.1Å; Q852-F854 HydrophobicContact CB-CZ 4.3Å; Q852-F854 HydrophobicContact CG-CE1 4.45Å; Q852-F854 HydrophobicContact CG-CE2 4.09Å; Q852-F854 HydrophobicContact CG-CZ 3.99Å
853L86.2Confident86.3Confident1 Ų131.3 Ų31.31%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-94.4139.1168.8-90.5162.9000110.8I846 D848 M877 L921 Q922I846-L853 HydrophobicContact CG2-CD2 3.66Å; D848-L853 HydrophobicContact CB-CD2 3.72Å; D848-L853 HydrophobicContact CB-CG 4.39Å; L853-M877 HydrophobicContact CD1-CG 3.6Å; L853-M877 HydrophobicContact CD1-SD 4.26Å; L853-L921 HydrophobicContact CB-CD1 3.71Å; L853-Q922 PolarHBondContact O-N 3.01Å
854F89.7Confident85.9Confident1 Ų134.4 Ų34.40%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-119.8134.5171.2-57.5-93.6000109.8L847 Q852 Q922 I932 F933L847-F854 HydrophobicContact CB-CB 4.32Å; L847-F854 HydrophobicContact CD2-CD2 4.32Å; L847-F854 HydrophobicContact CG-CD2 4.33Å; L847-F854 PolarHBondContact N-O 3.48Å; L847-F854 PolarHBondContact O-N 3.17Å; Q852-F854 HydrophobicContact CB-CE2 4.1Å; Q852-F854 HydrophobicContact CB-CZ 4.3Å; Q852-F854 HydrophobicContact CG-CE1 4.45Å; Q852-F854 HydrophobicContact CG-CE2 4.09Å; Q852-F854 HydrophobicContact CG-CZ 3.99Å; F854-Q922 WeakPolarHBondContact CA-O 3.37Å; F854-Q922 HydrophobicContact CD1-CB 3.78Å; F854-Q922 HydrophobicContact CD1-CG 4.04Å; F854-Q922 HydrophobicContact CE1-CB 4.08Å; F854-Q922 HydrophobicContact CE1-CG 4.22Å; F854-I932 HydrophobicContact CZ-CG2 4.24Å; F854-F933 HydrophobicContact CB-CD2 3.75Å; F854-F933 HydrophobicContact CB-CE2 3.93Å; F854-F933 HydrophobicContact CD1-CB 4.23Å; F854-F933 AromaticContact CD1-CD2 3.77Å; F854-F933 HydrophobicContact CD1-CD2 3.77Å; F854-F933 HydrophobicContact CD2-CD2 4.42Å; F854-F933 HydrophobicContact CE1-CB 4.22Å; F854-F933 HydrophobicContact CE1-CD2 4.49Å; F854-F933 AromaticContact CG-CD2 3.74Å; F854-F933 HydrophobicContact CG-CD2 3.74Å; F854-F933 HydrophobicContact CG-CE2 4.39Å
855L92.4Very high85.5Confident1 Ų135.5 Ų35.51%0.00517%0.172CC..EExtended strand (participates in β ladder)trans-106.3104170.7177.871.6000108.2V844 I846 M857 Y870 L921 Q922 C924V844-L855 HydrophobicContact CG1-CD1 3.72Å; I846-L855 HydrophobicContact CG1-CD1 4.01Å; L855-M857 HydrophobicContact CD2-CG 4.31Å; L855-M857 HydrophobicContact CD2-SD 4.26Å; L855-M857 HydrophobicContact CG-CG 4.18Å; L855-Y870 HydrophobicContact CD2-CD2 3.87Å; L855-Y870 HydrophobicContact CD2-CG 4.35Å; L855-L921 HydrophobicContact CB-CD1 4.15Å; L855-Q922 PolarHBondContact N-O 3.38Å; L855-C924 PolarHBondContact O-N 3.01Å
856W94.5Very high85.1Confident6 Ų638.4 Ų38.42%0.02318%0.183CC..EExtended strand (participates in β ladder)trans-90.4120.8175.5-171.495.2000109.9L839 D840 Y845 C924 Q926 E929 F933L839-W856 HydrophobicContact CB-CE3 4.37Å; L839-W856 HydrophobicContact CB-CH2 3.82Å; L839-W856 HydrophobicContact CB-CZ2 4.05Å; L839-W856 HydrophobicContact CB-CZ3 4.01Å; L839-W856 HydrophobicContact CD1-CD2 4.02Å; L839-W856 HydrophobicContact CD1-CG 4.21Å; L839-W856 HydrophobicContact CD1-CZ2 4.2Å; D840-W856 WeakPolarHBondContact O-CZ3 2.86Å; Y845-W856 AromaticContact CD2-CE3 3.7Å; Y845-W856 HydrophobicContact CD2-CE3 3.7Å; Y845-W856 AromaticContact CD2-CZ3 3.91Å; Y845-W856 HydrophobicContact CD2-CZ3 3.91Å; Y845-W856 HydrophobicContact CE2-CE3 4.3Å; Y845-W856 HydrophobicContact CE2-CZ3 4.04Å; Y845-W856 PolarHBondContact N-O 3.06Å; Y845-W856 PolarHBondContact O-N 2.74Å; W856-C924 CarbonylContact C-O 3.12Å; W856-C924 WeakPolarHBondContact CA-O 3.38Å; W856-Q926 HydrophobicContact CH2-CB 4.14Å; W856-Q926 HydrophobicContact CH2-CG 4.23Å; W856-Q926 HydrophobicContact CZ2-CB 3.6Å; W856-Q926 HydrophobicContact CZ2-CG 3.67Å; W856-E929 PolarHBondContact NE1-OE1 3.2Å; W856-E929 VanDerWaalsContact NE1-OE1 3.08Å; W856-F933 HydrophobicContact CB-CE2 4.18Å; W856-F933 HydrophobicContact CB-CZ 3.93Å; W856-F933 AromaticContact CD1-CE1 3.76Å; W856-F933 AromaticContact CD1-CZ 3.47Å; W856-F933 VanDerWaalsContact CD1-CZ 3.47Å; W856-F933 AromaticContact CG-CZ 3.93Å; W856-F933 HydrophobicContact CG-CZ 3.93Å
857M92.2Very high84.5Confident31 Ų3142.1 Ų42.115%0.15320%0.199CC..EExtended strand (participates in β ladder)trans-107.3109.9179.7-67.5178.6-77.600109.6V844 L855 R866 P923 C924 T925 Q926V844-M857 HydrophobicContact CG1-CG 4.32Å; L855-M857 HydrophobicContact CD2-CG 4.31Å; L855-M857 HydrophobicContact CD2-SD 4.26Å; L855-M857 HydrophobicContact CG-CG 4.18Å; M857-R866 HydrophobicContact CB-CG 4.3Å; M857-R866 HydrophobicContact CG-CB 4.44Å; M857-R866 HydrophobicContact CG-CG 4.06Å; M857-R866 HydrophobicContact SD-CB 3.91Å; M857-R866 HydrophobicContact SD-CG 3.94Å; M857-P923 HydrophobicContact CE-CB 3.97Å; M857-C924 PolarHBondContact N-O 3.28Å; M857-T925 HydrophobicContact CE-CG2 4.22Å; M857-Q926 PolarHBondContact O-N 3.43Å; M857-Q926 VanDerWaalsContact O-N 3.07Å
858G89.4Confident84.2Confident0 Ų042 Ų420%020%0.199CC..  trans-62.2142.2175.200000111.4S841 H843 K860 S861 R866S841-G858 CarbonylContact O-C 3.56Å; S841-G858 WeakPolarHBondContact O-CA 3.31Å; H843-G858 PolarHBondContact O-N 3.42Å; H843-G858 VanDerWaalsContact O-N 3.15Å; G858-K860 PolarHBondContact O-N 3.11Å; G858-K860 VanDerWaalsContact O-N 3.15Å; G858-S861 WeakPolarHBondContact O-CB 3.15Å; G858-S861 PolarHBondContact O-N 3.41Å; G858-S861 VanDerWaalsContact O-N 3.09Å; G858-S861 PolarHBondContact O-OG 2.99Å; G858-R866 PolarHBondContact O-NH2 2.69Å
859E88.3Confident84.3Confident129 Ų12941.5 Ų41.560%0.60320%0.196SC*.THydrogen-bonded Turntrans-53.6-38.2-174.7-178.2-172.2-149.500112.9S841 R866 Q926S841-E859 PolarHBondContact O-N 2.88Å; E859-R866 PolarHBondContact O-NH2 3.37Å; E859-Q926 HydrophobicContact CB-CB 4.26Å
860K86.9Confident84.6Confident148 Ų14845 Ų4564%0.64321%0.208SC*.THydrogen-bonded Turntrans-982.9-173.9-56.4179-176.6178.40112.9S841 K842 G858S841-K860 CarbonylContact O-C 3.57Å; S841-K860 WeakPolarHBondContact O-CA 3.24Å; S841-K860 WeakPolarHBondContact O-CB 2.97Å; S841-K860 PolarHBondContact O-N 3.01Å; K842-K860 HydrophobicContact CG-CB 4.33Å; G858-K860 PolarHBondContact O-N 3.11Å; G858-K860 VanDerWaalsContact O-N 3.15Å
861S87.2Confident85.3Confident5 Ų547 Ų474%0.03521%0.213CC..  trans-69.7145.6178.266.60000112.6S841 K842 H843 G858 R866S841-S861 PolarHBondContact O-N 3.41Å; S841-S861 VanDerWaalsContact O-N 3.08Å; K842-S861 VanDerWaalsContact O-CA 3.26Å; K842-S861 WeakPolarHBondContact O-CA 3.41Å; K842-S861 WeakPolarHBondContact O-CB 3Å; H843-S861 WeakPolarHBondContact O-CB 2.98Å; G858-S861 WeakPolarHBondContact O-CB 3.15Å; G858-S861 PolarHBondContact O-N 3.41Å; G858-S861 VanDerWaalsContact O-N 3.09Å; G858-S861 PolarHBondContact O-OG 2.99Å; S861-R866 PolarHBondContact O-NE 2.82Å; S861-R866 PolarHBondContact O-NH2 3.41Å; S861-R866 WeakPolarHBondContact OG-CG 3.48Å; S861-R866 PolarHBondContact OG-NE 3.21Å
862S84.8Confident86.2Confident56 Ų5647.5 Ų47.539%0.39222%0.215SC..  trans-71.9150.6-177.478.60000112.3F864 L865 R866S862-F864 PolarHBondContact O-N 3.35Å; S862-L865 PolarHBondContact O-N 3.01Å; S862-L865 WeakPolarHBondContact OG-CG 3.18Å; S862-L865 PolarHBondContact OG-N 2.67Å; S862-R866 WeakPolarHBondContact O-CG 3.12Å; S862-R866 PolarHBondContact O-N 2.81Å
863K76Confident86.6Confident170 Ų17047 Ų4774%0.73921%0.213SC*.Hα-helixtrans-54.7-37.6175.5-67.9-171.7178.1-174.10112.1R866 F867K863-R866 PolarHBondContact O-N 2.66Å; K863-F867 PolarHBondContact O-N 3.34Å
864F83.2Confident86.2Confident113 Ų11349.4 Ų49.450%0.49623%0.226SC..Hα-helixtrans-60.9-47.4174.3175.7-96.7000112.3M817 S862 R866 F867 A868M817-F864 HydrophobicContact SD-CE1 4.05Å; S862-F864 PolarHBondContact O-N 3.35Å; F864-R866 VanDerWaalsContact C-N 3.35Å; F864-R866 PolarHBondContact O-N 2.78Å; F864-F867 PolarHBondContact O-N 3.04Å; F864-A868 VanDerWaalsContact O-CB 3.24Å; F864-A868 WeakPolarHBondContact O-CB 3.35Å; F864-A868 PolarHBondContact O-N 2.68Å
865L85.5Confident85.7Confident22 Ų2253.3 Ų53.312%0.11524%0.244CC..Hα-helixtrans-66.6-35.1178.2-70.7178.5000112.4V815 M817 V844 S862 G869V815-L865 HydrophobicContact CG1-CD2 4.42Å; M817-L865 HydrophobicContact CG-CD2 4.25Å; V844-L865 HydrophobicContact CG2-CB 3.97Å; S862-L865 PolarHBondContact O-N 3.01Å; S862-L865 WeakPolarHBondContact OG-CG 3.18Å; S862-L865 PolarHBondContact OG-N 2.67Å; L865-G869 PolarHBondContact O-N 3.33Å
866R86.5Confident85.1Confident73 Ų7353.9 Ų53.928%0.27525%0.247SC..Hα-helixtrans-63.1-47.2174.1-63.9179.6-155.2-158.83.4111.4V844 M857 G858 E859 S861 S862 K863 F864 G869 Y870V844-R866 HydrophobicContact CG2-CG 4.03Å; M857-R866 HydrophobicContact CB-CG 4.3Å; M857-R866 HydrophobicContact CG-CB 4.44Å; M857-R866 HydrophobicContact CG-CG 4.06Å; M857-R866 HydrophobicContact SD-CB 3.91Å; M857-R866 HydrophobicContact SD-CG 3.94Å; G858-R866 PolarHBondContact O-NH2 2.69Å; E859-R866 PolarHBondContact O-NH2 3.37Å; S861-R866 PolarHBondContact O-NE 2.82Å; S861-R866 PolarHBondContact O-NH2 3.41Å; S861-R866 WeakPolarHBondContact OG-CG 3.48Å; S861-R866 PolarHBondContact OG-NE 3.21Å; S862-R866 WeakPolarHBondContact O-CG 3.12Å; S862-R866 PolarHBondContact O-N 2.81Å; K863-R866 PolarHBondContact O-N 2.66Å; F864-R866 VanDerWaalsContact C-N 3.35Å; F864-R866 PolarHBondContact O-N 2.78Å; R866-G869 PolarHBondContact O-N 2.89Å; R866-Y870 WeakPolarHBondContact O-CB 3.4Å; R866-Y870 PolarHBondContact O-N 3.05Å
867F81.6Confident84.1Confident77 Ų7756.6 Ų56.634%0.33826%0.26SS..Hα-helixtrans-65.9-44.5176.6179.8-96.5000112.5K863 F864 Y870 K871K863-F867 PolarHBondContact O-N 3.34Å; F864-F867 PolarHBondContact O-N 3.04Å; F867-Y870 PolarHBondContact O-N 3.29Å; F867-K871 HydrophobicContact CD1-CG 4.44Å; F867-K871 HydrophobicContact CE1-CG 4.05Å; F867-K871 HydrophobicContact CE2-CG 4.16Å; F867-K871 HydrophobicContact CZ-CG 3.91Å; F867-K871 PolarHBondContact O-N 3.4Å
868A84.8Confident82.9Confident0 Ų058 Ų580%028%0.283CS..Hα-helixtrans-60.8-45.7176.100000111V3 V815 F864 K871 L872V3-A868 HydrophobicContact CG1-CB 4.18Å; V815-A868 HydrophobicContact CG1-CB 4.45Å; F864-A868 VanDerWaalsContact O-CB 3.24Å; F864-A868 WeakPolarHBondContact O-CB 3.35Å; F864-A868 PolarHBondContact O-N 2.68Å; A868-K871 PolarHBondContact O-N 3.41Å; A868-L872 VanDerWaalsContact O-CB 3.23Å; A868-L872 WeakPolarHBondContact O-CB 3.21Å; A868-L872 WeakPolarHBondContact O-CG 3.26Å; A868-L872 PolarHBondContact O-N 2.63Å
869G87.5Confident82.2Confident0 Ų058.8 Ų58.80%029%0.287CS..Hα-helixtrans-62.8-41.5176.100000113.2L865 R866 L872 A873L865-G869 PolarHBondContact O-N 3.33Å; R866-G869 PolarHBondContact O-N 2.89Å; G869-L872 PolarHBondContact O-N 2.67Å; G869-A873 VanDerWaalsContact O-CB 3.29Å; G869-A873 WeakPolarHBondContact O-CB 3.21Å; G869-A873 PolarHBondContact O-N 3.44Å
870Y84.9Confident81.4Confident87 Ų8753.5 Ų53.534%0.34126%0.263SS..Hα-helixtrans-62-51174.1-177.5-96.5000112.1L855 R866 F867 L872 A873 L874 L921L855-Y870 HydrophobicContact CD2-CD2 3.87Å; L855-Y870 HydrophobicContact CD2-CG 4.35Å; R866-Y870 WeakPolarHBondContact O-CB 3.4Å; R866-Y870 PolarHBondContact O-N 3.05Å; F867-Y870 PolarHBondContact O-N 3.29Å; Y870-L872 PolarHBondContact O-N 3.49Å; Y870-A873 PolarHBondContact O-N 2.99Å; Y870-L874 HydrophobicContact CD1-CD1 4.1Å; Y870-L874 HydrophobicContact CE1-CD1 3.6Å; Y870-L874 HydrophobicContact CE1-CG 4.36Å; Y870-L874 PolarHBondContact O-N 3.36Å; Y870-L874 VanDerWaalsContact O-N 3.08Å; Y870-L921 HydrophobicContact CD2-CD2 3.83Å; Y870-L921 HydrophobicContact CE2-CD2 3.75Å
871K83.3Confident80.2Confident56 Ų5648.3 Ų48.324%0.24325%0.245CC..Hα-helixtrans-67.7-33.6178.9-65.1-62.1-177-177.10112.1E646 F867 A868 L874 Q875E646-K871 IonicContact OE1-NZ 3.87Å; E646-K871 IonicContact OE2-NZ 3.67Å; E646-K871 PolarHBondContact OE2-NZ 2.81Å; F867-K871 HydrophobicContact CD1-CG 4.44Å; F867-K871 HydrophobicContact CE1-CG 4.05Å; F867-K871 HydrophobicContact CE2-CG 4.16Å; F867-K871 HydrophobicContact CZ-CG 3.91Å; F867-K871 PolarHBondContact O-N 3.4Å; A868-K871 PolarHBondContact O-N 3.41Å; K871-L874 HydrophobicContact CD-CD1 4.27Å; K871-Q875 WeakPolarHBondContact O-CG 3.5Å; K871-Q875 PolarHBondContact O-N 3.37Å; K871-Q875 VanDerWaalsContact O-N 3.16Å
872L87.5Confident79.2Confident12 Ų1249.9 Ų49.96%0.06325%0.25CC..Hα-helixtrans-65.7-42.7171.3-77.3171.2000112.2V815 L822 L824 I846 A868 G869 Y870 L874 Q875 L876V815-L872 HydrophobicContact CG1-CD1 3.84Å; V815-L872 HydrophobicContact CG2-CD1 4.3Å; L822-L872 HydrophobicContact CD2-CD1 4.18Å; L824-L872 HydrophobicContact CD1-CD1 4.38Å; I846-L872 HydrophobicContact CD1-CB 3.98Å; A868-L872 VanDerWaalsContact O-CB 3.23Å; A868-L872 WeakPolarHBondContact O-CB 3.21Å; A868-L872 WeakPolarHBondContact O-CG 3.26Å; A868-L872 PolarHBondContact O-N 2.63Å; G869-L872 PolarHBondContact O-N 2.67Å; Y870-L872 PolarHBondContact O-N 3.49Å; L872-L874 VanDerWaalsContact C-N 3.3Å; L872-L874 PolarHBondContact O-N 3.33Å; L872-Q875 PolarHBondContact O-N 3.13Å; L872-Q875 VanDerWaalsContact O-N 3.09Å; L872-L876 WeakPolarHBondContact O-CG 3.5Å; L872-L876 PolarHBondContact O-N 3.22Å
873A85.7Confident77.8Confident0 Ų049.7 Ų49.70%025%0.249CC..Hα-helixtrans-59.6-42.1176.400000111.3I846 G869 Y870 Q875 L876 M877 L921I846-A873 HydrophobicContact CD1-CB 4.03Å; I846-A873 HydrophobicContact CG1-CB 4.27Å; I846-A873 HydrophobicContact CG2-CB 4.09Å; G869-A873 VanDerWaalsContact O-CB 3.29Å; G869-A873 WeakPolarHBondContact O-CB 3.21Å; G869-A873 PolarHBondContact O-N 3.44Å; Y870-A873 PolarHBondContact O-N 2.99Å; A873-Q875 PolarHBondContact O-N 3.09Å; A873-L876 PolarHBondContact O-N 3.29Å; A873-M877 VanDerWaalsContact O-CG 3.26Å; A873-M877 WeakPolarHBondContact O-CG 3.36Å; A873-M877 PolarHBondContact O-N 3.31Å; A873-L921 HydrophobicContact CB-CD1 4.11Å; A873-L921 HydrophobicContact CB-CD2 4.01Å
874L79Confident77.2Confident51 Ų5143.2 Ų43.227%0.26722%0.219SC..Hα-helixtrans-61.3-39173-68178.7000112.8Y870 K871 L872 M877 L921Y870-L874 HydrophobicContact CD1-CD1 4.1Å; Y870-L874 HydrophobicContact CE1-CD1 3.6Å; Y870-L874 HydrophobicContact CE1-CG 4.36Å; Y870-L874 PolarHBondContact O-N 3.36Å; Y870-L874 VanDerWaalsContact O-N 3.08Å; K871-L874 HydrophobicContact CD-CD1 4.27Å; L872-L874 VanDerWaalsContact C-N 3.3Å; L872-L874 PolarHBondContact O-N 3.33Å; L874-M877 HydrophobicContact CD2-CE 3.71Å; L874-M877 HydrophobicContact CD2-SD 4.39Å; L874-M877 WeakPolarHBondContact O-CB 3.1Å; L874-M877 PolarHBondContact O-N 2.86Å; L874-L921 HydrophobicContact CD2-CD2 4.31Å
875Q79.5Confident75.9Confident83 Ų8338 Ų3839%0.38820%0.196SC..Hα-helixtrans-70-37.7174.5-60.8-54.4-99.100112.5I55 K871 L872 A873 M877 G878 V879I55-Q875 HydrophobicContact CD1-CB 4.11Å; K871-Q875 WeakPolarHBondContact O-CG 3.5Å; K871-Q875 PolarHBondContact O-N 3.37Å; K871-Q875 VanDerWaalsContact O-N 3.16Å; L872-Q875 PolarHBondContact O-N 3.13Å; L872-Q875 VanDerWaalsContact O-N 3.09Å; A873-Q875 PolarHBondContact O-N 3.09Å; Q875-M877 PolarHBondContact O-N 2.59Å; Q875-G878 PolarHBondContact O-N 3.37Å; Q875-V879 PolarHBondContact O-N 2.95Å
876L79.8Confident74.3Confident12 Ų1237.2 Ų37.26%0.06319%0.194CC..Hα-helixtrans-62.3-22.9175-73.2170.6000112.8Y813 L824 I846 L872 A873 G878 V879 M880Y813-L876 HydrophobicContact CD2-CD1 4.19Å; Y813-L876 HydrophobicContact CE2-CD1 4.29Å; L824-L876 HydrophobicContact CD2-CD1 4.37Å; I846-L876 HydrophobicContact CD1-CD1 3.88Å; I846-L876 HydrophobicContact CG2-CD1 4.04Å; L872-L876 WeakPolarHBondContact O-CG 3.5Å; L872-L876 PolarHBondContact O-N 3.22Å; A873-L876 PolarHBondContact O-N 3.29Å; L876-G878 VanDerWaalsContact C-N 3.25Å; L876-G878 PolarHBondContact O-N 2.8Å; L876-V879 HydrophobicContact CD2-CB 4.49Å; L876-V879 PolarHBondContact O-N 2.97Å; L876-M880 PolarHBondContact O-N 3.04Å
877M72.8Confident72.6Confident64 Ų6435.2 Ų35.232%0.31520%0.196SC..Hα-helixtrans-61.7-34170.5-51.7-153.1-55.600112.7L853 A873 L874 Q875L853-M877 HydrophobicContact CD1-CG 3.6Å; L853-M877 HydrophobicContact CD1-SD 4.26Å; A873-M877 VanDerWaalsContact O-CG 3.26Å; A873-M877 WeakPolarHBondContact O-CG 3.36Å; A873-M877 PolarHBondContact O-N 3.31Å; L874-M877 HydrophobicContact CD2-CE 3.71Å; L874-M877 HydrophobicContact CD2-SD 4.39Å; L874-M877 WeakPolarHBondContact O-CB 3.1Å; L874-M877 PolarHBondContact O-N 2.86Å; Q875-M877 PolarHBondContact O-N 2.59Å
878G67.6Low71.2Confident61 Ų6132.1 Ų32.163%0.62918%0.183SC*.Hα-helixtrans-82.3-22.6175.300000114.1Q875 L876Q875-G878 PolarHBondContact O-N 3.37Å; L876-G878 VanDerWaalsContact C-N 3.25Å; L876-G878 PolarHBondContact O-N 2.8Å
879V73Confident69.8Low15 Ų1533.7 Ų33.79%0.09119%0.19CC..Hα-helixtrans-78.3-33.5174.9-176.50000111.7P51 S52 I55 Q875 L876P51-V879 WeakPolarHBondContact CA-O 3.43Å; P51-V879 WeakPolarHBondContact CB-O 3.25Å; S52-V879 PolarHBondContact N-O 3.14Å; I55-V879 HydrophobicContact CG2-CG2 3.78Å; Q875-V879 PolarHBondContact O-N 2.95Å; L876-V879 HydrophobicContact CD2-CB 4.49Å; L876-V879 PolarHBondContact O-N 2.97Å
880M71.5Confident67.8Low18 Ų1835.1 Ų35.19%0.08920%0.198CC..SBendtrans-135.3119.6-174.9-65.4-170.8-6500112.6I15 I811 Y813 D848 L876 R882I15-M880 HydrophobicContact CD1-SD 3.79Å; I15-M880 HydrophobicContact CG1-SD 4.01Å; I15-M880 HydrophobicContact CG2-CG 4.31Å; I15-M880 HydrophobicContact CG2-SD 4.19Å; I811-M880 HydrophobicContact CD1-SD 4.19Å; Y813-M880 HydrophobicContact CE2-CE 4.11Å; Y813-M880 WeakPolarHBondContact OH-CE 3.28Å; D848-M880 HydrophobicContact CB-CE 4.48Å; L876-M880 PolarHBondContact O-N 3.04Å; M880-R882 PolarHBondContact O-NH1 3.45Å; M880-R882 PolarHBondContact O-NH2 2.87Å
881P62.1Low66Low40 Ų4034 Ų3426%0.2620%0.198SC..  trans-88.6161.1174.232.7-30.8000113.3I49I49-P881 HydrophobicContact CB-CB 3.61Å; I49-P881 HydrophobicContact CB-CG 4.04Å; I49-P881 HydrophobicContact CG2-CB 3.55Å; I49-P881 HydrophobicContact CG2-CG 3.95Å; I49-P881 WeakPolarHBondContact O-CG 3.48Å
882R65.8Low64.3Low38 Ų3833.9 Ų33.914%0.14320%0.197CC..  trans-126.4108.2-167.1-67.9170.5-162.669.324.5111D848 G850 M880 R884D848-R882 IonicContact OD1-NE 3.81Å; D848-R882 PolarHBondContact OD1-NE 3.18Å; D848-R882 IonicContact OD2-CZ 3.01Å; D848-R882 VanDerWaalsContact OD2-CZ 3.3Å; D848-R882 IonicContact OD2-NE 2.68Å; D848-R882 PolarHBondContact OD2-NE 3.23Å; D848-R882 VanDerWaalsContact OD2-NE 3.09Å; D848-R882 IonicContact OD2-NH2 3.34Å; D848-R882 PolarHBondContact OD2-NH2 3.1Å; G850-R882 WeakPolarHBondContact O-CA 3.29Å; G850-R882 VanDerWaalsContact O-CB 3.23Å; G850-R882 WeakPolarHBondContact O-CB 3.33Å; G850-R882 WeakPolarHBondContact O-CG 3.06Å; M880-R882 PolarHBondContact O-NH1 3.45Å; M880-R882 PolarHBondContact O-NH2 2.87Å; R882-R884 PolarHBondContact O-N 2.58Å
883S57Low62.4Low52 Ų5237.1 Ų37.136%0.36422%0.218SC..  trans-83.6110.4176.163.30000110.6E889S883-E889 WeakPolarHBondContact CA-OE1 3.34Å
884R62.1Low60.3Low33 Ų3339.4 Ų39.413%0.12523%0.228CC..SBendtrans-95-38.9-175.3-63.3172158.3-178.8-16.8112.8M676 P677 R882 G886 E889 F916M676-R884 WeakPolarHBondContact CE-O 3.3Å; M676-R884 VanDerWaalsContact SD-O 3.33Å; P677-R884 HydrophobicContact CG-CB 3.57Å; R882-R884 PolarHBondContact O-N 2.58Å; R884-G886 VanDerWaalsContact C-N 3.35Å; R884-E889 WeakPolarHBondContact CA-OE1 3.05Å; R884-E889 PolarHBondContact N-OE1 2.94Å; R884-F916 PolarHBondContact NH1-O 2.88Å
885L56.2Low58.2Low3 Ų342.3 Ų42.32%0.01625%0.253CS..SBendtrans-84.2-11.5173.5-60176000113.2M676 P677 T679 S682 L888 E889 F892 F916M676-L885 HydrophobicContact CE-CD2 4.31Å; P677-L885 HydrophobicContact CB-CD2 4.38Å; P677-L885 VanDerWaalsContact CD-CD2 3.49Å; P677-L885 HydrophobicContact CG-CD2 3.66Å; P677-L885 HydrophobicContact CG-CG 3.84Å; T679-L885 HydrophobicContact CG2-CD2 3.97Å; S682-L885 VanDerWaalsContact OG-CD2 3.26Å; S682-L885 WeakPolarHBondContact OG-CD2 3.38Å; L885-L888 HydrophobicContact CB-CB 3.42Å; L885-L888 VanDerWaalsContact CB-CB 3.42Å; L885-L888 HydrophobicContact CD1-CB 3.8Å; L885-L888 HydrophobicContact CG-CB 4.22Å; L885-E889 HydrophobicContact CB-CG 4.36Å; L885-E889 HydrophobicContact CD1-CG 4.3Å; L885-E889 HydrophobicContact CG-CG 4.36Å; L885-E889 PolarHBondContact N-OE1 3.01Å; L885-F892 HydrophobicContact CD1-CD2 4.35Å; L885-F892 HydrophobicContact CD1-CE2 3.6Å; L885-F916 HydrophobicContact CD1-CE1 3.72Å; L885-F916 HydrophobicContact CD1-CZ 3.81Å; L885-F916 HydrophobicContact CD2-CZ 4.41Å; L885-F916 HydrophobicContact CG-CE1 4.14Å; L885-F916 HydrophobicContact CG-CZ 4.2Å
886G51.8Low56.2Low7 Ų742.1 Ų42.17%0.07225%0.254CS..SBendtrans8724.5-179.600000114.4R884R884-G886 VanDerWaalsContact C-N 3.35Å
887G52.2Low54.3Low30 Ų3044.2 Ų44.231%0.30927%0.265SS..SBendtrans108.65.2-177.300000113.9E889 L890G887-E889 WeakPolarHBondContact CA-OE2 3.27Å; G887-E889 PolarHBondContact N-OE2 2.77Å; G887-L890 VanDerWaalsContact O-CB 3.3Å; G887-L890 WeakPolarHBondContact O-CB 3.39Å; G887-L890 VanDerWaalsContact O-CG 3.25Å; G887-L890 WeakPolarHBondContact O-CG 3.23Å
888L51.5Low52.8Low13 Ų1344.4 Ų44.47%0.06827%0.271CS..  trans-83.3-21.7176.1-135.6-175.4000111.5F800 L885 L890 L891 F892F800-L888 HydrophobicContact CB-CD1 3.63Å; F800-L888 HydrophobicContact CB-CG 4.39Å; F800-L888 HydrophobicContact CD1-CD1 3.95Å; F800-L888 HydrophobicContact CD1-CG 4.33Å; F800-L888 HydrophobicContact CD2-CD1 4.14Å; F800-L888 HydrophobicContact CG-CD1 3.69Å; F800-L888 HydrophobicContact CG-CG 4.49Å; L885-L888 HydrophobicContact CB-CB 3.42Å; L885-L888 VanDerWaalsContact CB-CB 3.42Å; L885-L888 HydrophobicContact CD1-CB 3.8Å; L885-L888 HydrophobicContact CG-CB 4.22Å; L888-L890 PolarHBondContact O-N 3.32Å; L888-L891 HydrophobicContact CD2-CB 4.3Å; L888-L891 HydrophobicContact CD2-CD1 3.9Å; L888-L891 HydrophobicContact CD2-CG 4.5Å; L888-L891 PolarHBondContact O-N 3.2Å; L888-F892 HydrophobicContact CD2-CE2 3.69Å; L888-F892 HydrophobicContact CD2-CZ 3.71Å; L888-F892 WeakPolarHBondContact O-CD2 3.39Å; L888-F892 WeakPolarHBondContact O-CE2 3.36Å
889E54.6Low51.6Low33 Ų3346.2 Ų46.215%0.15427%0.27CS..G310 helixtrans-50.5-30.1166.8-56.992.615200111.2S883 R884 L885 G887 L891 F916S883-E889 WeakPolarHBondContact CA-OE1 3.34Å; R884-E889 WeakPolarHBondContact CA-OE1 3.05Å; R884-E889 PolarHBondContact N-OE1 2.94Å; L885-E889 HydrophobicContact CB-CG 4.36Å; L885-E889 HydrophobicContact CD1-CG 4.3Å; L885-E889 HydrophobicContact CG-CG 4.36Å; L885-E889 PolarHBondContact N-OE1 3.01Å; G887-E889 WeakPolarHBondContact CA-OE2 3.27Å; G887-E889 PolarHBondContact N-OE2 2.77Å; E889-L891 PolarHBondContact O-N 3.14Å; E889-F916 HydrophobicContact CG-CE1 4.35Å
890L46.7Very low50Low30 Ų3050.3 Ų50.316%0.15729%0.29CS..G310 helixtrans-76.97.1-178.5-40.1-176.8000113.6P45 I46 S48 G887 L888P45-L890 CarbonylContact C-O 3.29Å; P45-L890 WeakPolarHBondContact CA-O 3.45Å; P45-L890 HydrophobicContact CB-CB 3.65Å; P45-L890 WeakPolarHBondContact CB-O 3.43Å; I46-L890 VanDerWaalsContact CD1-C 3.4Å; I46-L890 WeakPolarHBondContact CD1-O 3.4Å; I46-L890 PolarHBondContact N-O 2.95Å; I46-L890 WeakPolarHBondContact O-CD2 3.35Å; S48-L890 VanDerWaalsContact CA-CD2 3.48Å; S48-L890 WeakPolarHBondContact OG-CD1 3.31Å; G887-L890 VanDerWaalsContact O-CB 3.3Å; G887-L890 WeakPolarHBondContact O-CB 3.39Å; G887-L890 VanDerWaalsContact O-CG 3.25Å; G887-L890 WeakPolarHBondContact O-CG 3.23Å; L888-L890 PolarHBondContact O-N 3.32Å
891L46.2Very low48.5Very low64 Ų6452.3 Ų52.334%0.33530%0.304SS..G310 helixtrans-115.7-9175-64.7174.7000113.6P45 L888 E889P45-L891 HydrophobicContact CB-CD2 4.28Å; P45-L891 HydrophobicContact CG-CD2 4.03Å; L888-L891 HydrophobicContact CD2-CB 4.3Å; L888-L891 HydrophobicContact CD2-CD1 3.9Å; L888-L891 HydrophobicContact CD2-CG 4.5Å; L888-L891 PolarHBondContact O-N 3.2Å; E889-L891 PolarHBondContact O-N 3.14Å
892F47.5Very low47.5Very low53 Ų5355.8 Ų55.823%0.23232%0.317CS..THydrogen-bonded Turntrans-95.3-26.4-172.2-63.9-66.6000115L681 L885 L888 E894 W912 W913L681-F892 HydrophobicContact CD1-CE1 3.7Å; L681-F892 HydrophobicContact CD1-CZ 3.5Å; L885-F892 HydrophobicContact CD1-CD2 4.35Å; L885-F892 HydrophobicContact CD1-CE2 3.6Å; L888-F892 HydrophobicContact CD2-CE2 3.69Å; L888-F892 HydrophobicContact CD2-CZ 3.71Å; L888-F892 WeakPolarHBondContact O-CD2 3.39Å; L888-F892 WeakPolarHBondContact O-CE2 3.36Å; F892-E894 PolarHBondContact O-N 2.85Å; F892-W912 AromaticContact CD1-CH2 3.81Å; F892-W912 HydrophobicContact CD1-CH2 3.81Å; F892-W912 HydrophobicContact CD1-CZ3 4.15Å; F892-W912 AromaticContact CE1-CH2 3.59Å; F892-W912 HydrophobicContact CE1-CH2 3.59Å; F892-W912 HydrophobicContact CE1-CZ3 4.25Å; F892-W912 HydrophobicContact CE2-CH2 4.39Å; F892-W912 HydrophobicContact CG-CH2 4.32Å; F892-W912 AromaticContact CZ-CH2 3.9Å; F892-W912 HydrophobicContact CZ-CH2 3.9Å; F892-W913 HydrophobicContact CB-CZ2 3.58Å
893T48.9Very low46.3Very low80 Ų8058.6 Ų58.649%0.49134%0.338SS..SBendtrans-84.324.7179.31.60000112.1I46 W913I46-T893 WeakPolarHBondContact CD1-OG1 3.39Å; T893-W913 HydrophobicContact CG2-CH2 3.7Å; T893-W913 HydrophobicContact CG2-CZ2 3.62Å; T893-W913 HydrophobicContact CG2-CZ3 4.4Å; T893-W913 WeakPolarHBondContact OG1-CH2 3.21Å; T893-W913 WeakPolarHBondContact OG1-CZ2 3.22Å
894E40.3Very low45.5Very low48 Ų4859.6 Ų59.622%0.22434%0.339CS..  trans-118.6126.3-163.7-121.2155.7-134.300114.5S43 L44 P45 I46 F892 N896S43-E894 VanDerWaalsContact CA-OE2 3.29Å; S43-E894 WeakPolarHBondContact CA-OE2 3.19Å; L44-E894 VanDerWaalsContact C-OE1 3.32Å; L44-E894 VanDerWaalsContact C-OE2 3.29Å; L44-E894 PolarHBondContact N-OE2 3.26Å; L44-E894 VanDerWaalsContact O-CD 3.28Å; P45-E894 WeakPolarHBondContact CA-OE1 3.35Å; I46-E894 HydrophobicContact CD1-CB 3.64Å; I46-E894 VanDerWaalsContact CD1-CD 3.49Å; I46-E894 HydrophobicContact CD1-CG 3.7Å; I46-E894 WeakPolarHBondContact CD1-OE1 3.48Å; I46-E894 HydrophobicContact CG1-CB 4.43Å; I46-E894 HydrophobicContact CG1-CG 4.04Å; I46-E894 WeakPolarHBondContact CG1-OE1 3.29Å; I46-E894 PolarHBondContact N-OE1 2.83Å; F892-E894 PolarHBondContact O-N 2.85Å; E894-N896 VanDerWaalsContact C-N 3.3Å; E894-N896 PolarHBondContact O-N 2.96Å
895S36.4Very low44.6Very low112 Ų11263.9 Ų63.978%0.78336%0.363SS*.THydrogen-bonded Turntrans-86.640.3-146.662.60000115
896N37Very low43.9Very low79 Ų7969.4 Ų69.442%0.42239%0.393SS..THydrogen-bonded Turntrans-152.116.9-170.3-103.7-18.7000118.3N41 P42 E894 P898N41-N896 HydrophobicContact CB-CB 4.21Å; N41-N896 WeakPolarHBondContact CB-O 3.42Å; N41-N896 VanDerWaalsContact ND2-CG 3.29Å; N41-N896 PolarHBondContact ND2-O 3.49Å; N41-N896 PolarHBondContact ND2-OD1 2.93Å; N41-N896 PolarHBondContact OD1-ND2 3.5Å; N41-N896 PolarHBondContact OD1-OD1 2.86Å; P42-N896 HydrophobicContact CB-CB 3.56Å; P42-N896 VanDerWaalsContact CB-O 3.3Å; P42-N896 WeakPolarHBondContact CB-O 3.34Å; E894-N896 VanDerWaalsContact C-N 3.3Å; E894-N896 PolarHBondContact O-N 2.96Å; N896-P898 WeakPolarHBondContact O-CD 3.49Å
897M38.7Very low43.1Very low56 Ų5674.6 Ų74.628%0.27642%0.419SS..  trans-105.172.4-177-158.119.6138.200115.6P42 T899 L900 T901P42-M897 HydrophobicContact CB-CB 4.31Å; P42-M897 VanDerWaalsContact CD-CE 3.45Å; P42-M897 HydrophobicContact CG-CB 3.57Å; P42-M897 HydrophobicContact CG-CE 3.69Å; P42-M897 HydrophobicContact CG-CG 3.6Å; P42-M897 HydrophobicContact CG-SD 3.62Å; M897-T899 PolarHBondContact O-N 2.98Å; M897-T899 PolarHBondContact SD-OG1 2.99Å; M897-T899 VanDerWaalsContact SD-OG1 3.34Å; M897-L900 HydrophobicContact CE-CB 3.88Å; M897-L900 HydrophobicContact CE-CD1 4.44Å; M897-L900 HydrophobicContact CG-CB 3.43Å; M897-L900 VanDerWaalsContact CG-CB 3.43Å; M897-L900 HydrophobicContact SD-CB 3.77Å; M897-L900 PolarHBondContact SD-N 2.94Å; M897-L900 VanDerWaalsContact SD-N 3.39Å; M897-T901 WeakPolarHBondContact CB-OG1 3.35Å; M897-T901 WeakPolarHBondContact O-CB 3.22Å; M897-T901 PolarHBondContact O-N 3.13Å; M897-T901 VanDerWaalsContact O-N 3.07Å; M897-T901 PolarHBondContact O-OG1 3.15Å
898P41.1Very low42.3Very low68 Ų6880.3 Ų80.344%0.44244%0.442SS..Hα-helixtrans-52.6-49.4173.5-26.131.5000113N896 Q902N896-P898 WeakPolarHBondContact O-CD 3.49Å; P898-Q902 WeakPolarHBondContact O-CB 3.28Å; P898-Q902 WeakPolarHBondContact O-CG 3.35Å; P898-Q902 PolarHBondContact O-N 2.98Å; P898-Q902 PolarHBondContact O-OE1 3.13Å
899T43.2Very low41.6Very low99 Ų9987.3 Ų87.361%0.60748%0.475SS*.Hα-helixtrans-74.7-49.8-16943.30000113.4M897 T903M897-T899 PolarHBondContact O-N 2.98Å; M897-T899 PolarHBondContact SD-OG1 2.99Å; M897-T899 VanDerWaalsContact SD-OG1 3.34Å; T899-T903 PolarHBondContact O-N 3.13Å; T899-T903 VanDerWaalsContact O-N 3.14Å; T899-T903 PolarHBondContact O-OG1 3.02Å
900L38.9Very low40.7Very low100 Ų10089.7 Ų89.752%0.52449%0.491SS..Hα-helixtrans-72.2-40.5178.3-136.793.8000111.6M897 T903 L904M897-L900 HydrophobicContact CE-CB 3.88Å; M897-L900 HydrophobicContact CE-CD1 4.44Å; M897-L900 HydrophobicContact CG-CB 3.43Å; M897-L900 VanDerWaalsContact CG-CB 3.43Å; M897-L900 HydrophobicContact SD-CB 3.77Å; M897-L900 PolarHBondContact SD-N 2.94Å; M897-L900 VanDerWaalsContact SD-N 3.39Å; L900-T903 WeakPolarHBondContact CA-OG1 3.35Å; L900-T903 CarbonylContact O-C 2.62Å; L900-T903 PolarHBondContact O-N 3.37Å; L900-T903 VanDerWaalsContact O-N 3.12Å; L900-T903 PolarHBondContact O-OG1 2.98Å; L900-L904 HydrophobicContact CD2-CD1 4.28Å; L900-L904 WeakPolarHBondContact O-CG 3.48Å; L900-L904 PolarHBondContact O-N 3.48Å
901T40.7Very low40.6Very low61 Ų6194.6 Ų94.637%0.37452%0.518SS..Hα-helixtrans-74-27.4-178.9-43.70000111.4M897 L904 L905M897-T901 WeakPolarHBondContact CB-OG1 3.35Å; M897-T901 WeakPolarHBondContact O-CB 3.22Å; M897-T901 PolarHBondContact O-N 3.13Å; M897-T901 VanDerWaalsContact O-N 3.07Å; M897-T901 PolarHBondContact O-OG1 3.15Å; T901-L904 PolarHBondContact O-N 2.91Å; T901-L905 HydrophobicContact CG2-CD1 3.63Å; T901-L905 HydrophobicContact CG2-CG 3.87Å; T901-L905 WeakPolarHBondContact O-CB 3.47Å; T901-L905 VanDerWaalsContact O-CG 3.29Å; T901-L905 WeakPolarHBondContact O-CG 3.38Å; T901-L905 PolarHBondContact O-N 2.91Å
902Q41.3Very low40.5Very low113 Ų11395.6 Ų95.653%0.52852%0.517SS..Hα-helixtrans-65.3-41.8163.5-77.3171.4-18.500111.8P898 L904 L905 N906P898-Q902 WeakPolarHBondContact O-CB 3.28Å; P898-Q902 WeakPolarHBondContact O-CG 3.35Å; P898-Q902 PolarHBondContact O-N 2.98Å; P898-Q902 PolarHBondContact O-OE1 3.13Å; Q902-L904 PolarHBondContact O-N 3.11Å; Q902-L904 VanDerWaalsContact O-N 3.13Å; Q902-L905 PolarHBondContact O-N 2.74Å; Q902-N906 WeakPolarHBondContact O-CB 3.29Å; Q902-N906 PolarHBondContact O-N 2.96Å; Q902-N906 PolarHBondContact O-ND2 3.33Å; Q902-N906 PolarHBondContact O-OD1 2.97Å
903T40.4Very low40.2Very low96 Ų9698.1 Ų98.159%0.58953%0.525SS*.Hα-helixtrans-67.1-11.2175.152.50000114.8T899 L900T899-T903 PolarHBondContact O-N 3.13Å; T899-T903 VanDerWaalsContact O-N 3.14Å; T899-T903 PolarHBondContact O-OG1 3.02Å; L900-T903 WeakPolarHBondContact CA-OG1 3.35Å; L900-T903 CarbonylContact O-C 2.62Å; L900-T903 PolarHBondContact O-N 3.37Å; L900-T903 VanDerWaalsContact O-N 3.12Å; L900-T903 PolarHBondContact O-OG1 2.98Å
904L39.9Very low39.8Very low73 Ų7399.6 Ų99.638%0.38253%0.53SS..Hα-helixtrans-104.7-34.5175.8-69.2168000112.9L900 T901 Q902L900-L904 HydrophobicContact CD2-CD1 4.28Å; L900-L904 WeakPolarHBondContact O-CG 3.48Å; L900-L904 PolarHBondContact O-N 3.48Å; T901-L904 PolarHBondContact O-N 2.91Å; Q902-L904 PolarHBondContact O-N 3.11Å; Q902-L904 VanDerWaalsContact O-N 3.13Å
905L44.4Very low40.1Very low123 Ų123102.3 Ų102.364%0.64455%0.546SS*.Hα-helixtrans-85.1-15.6176.8-69.5173.9000114.1T901 Q902 N907T901-L905 HydrophobicContact CG2-CD1 3.63Å; T901-L905 HydrophobicContact CG2-CG 3.87Å; T901-L905 WeakPolarHBondContact O-CB 3.47Å; T901-L905 VanDerWaalsContact O-CG 3.29Å; T901-L905 WeakPolarHBondContact O-CG 3.38Å; T901-L905 PolarHBondContact O-N 2.91Å; Q902-L905 PolarHBondContact O-N 2.74Å; L905-N907 PolarHBondContact O-N 3Å
906N40.3Very low40.6Very low119 Ų11998.3 Ų98.364%0.63652%0.515SS*.SBendtrans-73.620172.4-69.1-0.7000112.9Q902Q902-N906 WeakPolarHBondContact O-CB 3.29Å; Q902-N906 PolarHBondContact O-N 2.96Å; Q902-N906 PolarHBondContact O-ND2 3.33Å; Q902-N906 PolarHBondContact O-OD1 2.97Å
907N35.9Very low41Very low117 Ų11799 Ų9963%0.62652%0.522SS*.SBendtrans-118.7117.1159.3-61.1-71000106.4L905 H909L905-N907 PolarHBondContact O-N 3Å; N907-H909 PolarHBondContact O-N 3.48Å
908D35.7Very low41.5Very low149 Ų149101.8 Ų101.880%0.79754%0.538SS*.  trans-76.337.6-159.5-57.4-75.2000116.6
909H35.8Very low42.1Very low160 Ų16099.6 Ų99.674%0.74152%0.524SS*.  trans-144142.4-174.4-67.1-65.3000117N907N907-H909 PolarHBondContact O-N 3.48Å
910V36.7Very low43.1Very low84 Ų8499 Ų9951%0.50952%0.517SS..  trans89.9124.7159.6-163.40000119.9W912V910-W912 PolarHBondContact O-N 3.4Å
911D44.3Very low44.9Very low133 Ų13395.3 Ų95.371%0.71150%0.498SS*.  trans-73.545.3175.3-81.5-66.9000114.9W913 N914D911-W913 PolarHBondContact O-N 3.19Å; D911-N914 PolarHBondContact O-N 3.39Å
912W43.2Very low46.9Very low84 Ų8493.6 Ų93.632%0.31849%0.485SS..Hα-helixtrans-42.5-26.8-170.7177.436.9000117.8T679 L681 F892 V910 F916T679-W912 HydrophobicContact CG2-CZ2 4.32Å; L681-W912 HydrophobicContact CD1-CH2 4.33Å; F892-W912 AromaticContact CD1-CH2 3.81Å; F892-W912 HydrophobicContact CD1-CH2 3.81Å; F892-W912 HydrophobicContact CD1-CZ3 4.15Å; F892-W912 AromaticContact CE1-CH2 3.59Å; F892-W912 HydrophobicContact CE1-CH2 3.59Å; F892-W912 HydrophobicContact CE1-CZ3 4.25Å; F892-W912 HydrophobicContact CE2-CH2 4.39Å; F892-W912 HydrophobicContact CG-CH2 4.32Å; F892-W912 AromaticContact CZ-CH2 3.9Å; F892-W912 HydrophobicContact CZ-CH2 3.9Å; V910-W912 PolarHBondContact O-N 3.4Å; W912-F916 AromaticContact CD1-CD2 3.92Å; W912-F916 AromaticContact CD1-CE2 3.91Å; W912-F916 AromaticContact CE2-CE2 3.86Å; W912-F916 HydrophobicContact CZ2-CE2 4.21Å; W912-F916 HydrophobicContact CZ2-CZ 4.2Å; W912-F916 AromaticContact NE1-CD2 3.56Å; W912-F916 AromaticContact NE1-CE2 3.11Å; W912-F916 AromaticContact NE1-CZ 3.95Å
913W40.8Very low48.9Very low106 Ų10691.3 Ų91.340%0.40248%0.48SS..Hα-helixtrans-77.9-29.7-172.9-112104.3000115.3F892 T893 D911 F916F892-W913 HydrophobicContact CB-CZ2 3.58Å; T893-W913 HydrophobicContact CG2-CH2 3.7Å; T893-W913 HydrophobicContact CG2-CZ2 3.62Å; T893-W913 HydrophobicContact CG2-CZ3 4.4Å; T893-W913 WeakPolarHBondContact OG1-CH2 3.21Å; T893-W913 WeakPolarHBondContact OG1-CZ2 3.22Å; D911-W913 PolarHBondContact O-N 3.19Å; W913-F916 WeakPolarHBondContact O-CB 3.34Å
914N41.9Very low51Low111 Ų11187 Ų8759%0.59445%0.454SS*.Hα-helixtrans-81-40.8-178.7-69.2-34000111.5D911 F916 T917D911-N914 PolarHBondContact O-N 3.39Å; N914-F916 PolarHBondContact O-N 3.39Å; N914-T917 PolarHBondContact O-N 2.83Å; N914-T917 PolarHBondContact O-OG1 2.86Å
915D46.4Very low53.2Low106 Ų10686.8 Ų86.857%0.56746%0.456SS*.Hα-helixtrans-54.8-26171.8-59.9-25.2000112.6T917D915-T917 VanDerWaalsContact C-N 3.31Å; D915-T917 PolarHBondContact O-N 2.92Å
916F45.5Very low55.2Low28 Ų2884.2 Ų84.212%0.12344%0.44CS..THydrogen-bonded Turntrans-65.4-32.1178.1-117.5-120.8000113.4P677 T679 R884 L885 E889 W912 W913 N914P677-F916 HydrophobicContact CB-CD2 4Å; P677-F916 HydrophobicContact CB-CE1 4.03Å; P677-F916 HydrophobicContact CB-CE2 3.19Å; P677-F916 HydrophobicContact CB-CZ 3.23Å; P677-F916 HydrophobicContact CG-CE1 3.87Å; P677-F916 HydrophobicContact CG-CE2 3.98Å; P677-F916 HydrophobicContact CG-CZ 3.51Å; T679-F916 HydrophobicContact CG2-CZ 4.29Å; R884-F916 PolarHBondContact NH1-O 2.88Å; L885-F916 HydrophobicContact CD1-CE1 3.72Å; L885-F916 HydrophobicContact CD1-CZ 3.81Å; L885-F916 HydrophobicContact CD2-CZ 4.41Å; L885-F916 HydrophobicContact CG-CE1 4.14Å; L885-F916 HydrophobicContact CG-CZ 4.2Å; E889-F916 HydrophobicContact CG-CE1 4.35Å; W912-F916 AromaticContact CD1-CD2 3.92Å; W912-F916 AromaticContact CD1-CE2 3.91Å; W912-F916 AromaticContact CE2-CE2 3.86Å; W912-F916 HydrophobicContact CZ2-CE2 4.21Å; W912-F916 HydrophobicContact CZ2-CZ 4.2Å; W912-F916 AromaticContact NE1-CD2 3.56Å; W912-F916 AromaticContact NE1-CE2 3.11Å; W912-F916 AromaticContact NE1-CZ 3.95Å; W913-F916 WeakPolarHBondContact O-CB 3.34Å; N914-F916 PolarHBondContact O-N 3.39Å
917T46Very low57.1Low92 Ų9281.4 Ų81.456%0.56444%0.439SS*.THydrogen-bonded Turntrans-90.7-21.1-177.433.30000114.7N914 D915 S919N914-T917 PolarHBondContact O-N 2.83Å; N914-T917 PolarHBondContact O-OG1 2.86Å; D915-T917 VanDerWaalsContact C-N 3.31Å; D915-T917 PolarHBondContact O-N 2.92Å; T917-S919 VanDerWaalsContact C-N 3.26Å; T917-S919 PolarHBondContact O-N 2.86Å
918D50Low59.3Low116 Ų11679 Ų7962%0.6244%0.436SS*.  trans-73.881.3179.9-83.9-20.5000112.1L920D918-L920 PolarHBondContact O-N 3.26Å
919S53.4Low61.8Low22 Ų2272.5 Ų72.515%0.15440%0.401CS..  trans-76.475.2169.9177.50000110.5T917 L921T917-S919 VanDerWaalsContact C-N 3.26Å; T917-S919 PolarHBondContact O-N 2.86Å; S919-L921 PolarHBondContact O-N 3.2Å
920L63.2Low64.2Low85 Ų8565.9 Ų65.945%0.44537%0.372SS..  trans-43.5100.6170.1-64.5177.8000111.1V658 D918 Q922V658-L920 HydrophobicContact CB-CD1 4.45Å; V658-L920 HydrophobicContact CG1-CD1 3.98Å; V658-L920 HydrophobicContact CG2-CD1 4.33Å; D918-L920 PolarHBondContact O-N 3.26Å; L920-Q922 PolarHBondContact O-N 3.31Å
921L77.5Confident66.6Low24 Ų2462.7 Ų62.713%0.12635%0.351CS..  trans-54.7118.2167.1171.463.4000106.9L853 L855 Y870 A873 L874 S919 P923L853-L921 HydrophobicContact CB-CD1 3.71Å; L855-L921 HydrophobicContact CB-CD1 4.15Å; Y870-L921 HydrophobicContact CD2-CD2 3.83Å; Y870-L921 HydrophobicContact CE2-CD2 3.75Å; A873-L921 HydrophobicContact CB-CD1 4.11Å; A873-L921 HydrophobicContact CB-CD2 4.01Å; L874-L921 HydrophobicContact CD2-CD2 4.31Å; S919-L921 PolarHBondContact O-N 3.2Å; L921-P923 WeakPolarHBondContact O-CD 3.22Å
922Q81.8Confident68.7Low24 Ų2456.6 Ų56.611%0.11232%0.318CS..EExtended strand (participates in β ladder)trans-92.4102.7-178.1-177.1158.66.100109.7L853 F854 L855 L920 T930L853-Q922 PolarHBondContact O-N 3.01Å; F854-Q922 WeakPolarHBondContact CA-O 3.37Å; F854-Q922 HydrophobicContact CD1-CB 3.78Å; F854-Q922 HydrophobicContact CD1-CG 4.04Å; F854-Q922 HydrophobicContact CE1-CB 4.08Å; F854-Q922 HydrophobicContact CE1-CG 4.22Å; L855-Q922 PolarHBondContact N-O 3.38Å; L920-Q922 PolarHBondContact O-N 3.31Å; Q922-T930 VanDerWaalsContact NE2-CG2 3.29Å
923P83.9Confident70.9Confident66 Ų6652.6 Ų52.643%0.42930%0.304SS..EExtended strand (participates in β ladder)trans-64.6142.2168.429.7-35.5000109.4M857 L921M857-P923 HydrophobicContact CE-CB 3.97Å; L921-P923 WeakPolarHBondContact O-CD 3.22Å
924C84.9Confident73.1Confident4 Ų449.2 Ų49.23%0.02729%0.291CS..EExtended strand (participates in β ladder)trans-135.2120.5170.7-72.10000107.4L855 W856 M857 E929L855-C924 PolarHBondContact O-N 3.01Å; W856-C924 CarbonylContact C-O 3.12Å; W856-C924 WeakPolarHBondContact CA-O 3.38Å; M857-C924 PolarHBondContact N-O 3.28Å; C924-E929 HydrophobicContact CB-CB 4.49Å; C924-E929 HydrophobicContact CB-CG 4.38Å
925T85.5Confident75.1Confident69 Ų6945.4 Ų45.442%0.42327%0.273SS..EExtended strand (participates in β ladder)trans-82.3149.4165.443.70000109.5M857 G927 A928M857-T925 HydrophobicContact CE-CG2 4.22Å; T925-G927 PolarHBondContact O-N 3.03Å; T925-A928 PolarHBondContact O-N 2.88Å; T925-A928 WeakPolarHBondContact OG1-CB 3.46Å
926Q86.4Confident76.9Confident69 Ų6941.3 Ų41.332%0.32225%0.251SS..THydrogen-bonded Turntrans-51132.8173.9178.3166.410.900111.6S841 W856 M857 E859 A928S841-Q926 VanDerWaalsContact CA-OE1 3.31Å; S841-Q926 VanDerWaalsContact CB-OE1 3.26Å; S841-Q926 PolarHBondContact OG-NE2 3.18Å; S841-Q926 PolarHBondContact OG-OE1 2.91Å; W856-Q926 HydrophobicContact CH2-CB 4.14Å; W856-Q926 HydrophobicContact CH2-CG 4.23Å; W856-Q926 HydrophobicContact CZ2-CB 3.6Å; W856-Q926 HydrophobicContact CZ2-CG 3.67Å; M857-Q926 PolarHBondContact O-N 3.43Å; M857-Q926 VanDerWaalsContact O-N 3.07Å; E859-Q926 HydrophobicContact CB-CB 4.26Å; Q926-A928 VanDerWaalsContact C-N 3.25Å; Q926-A928 PolarHBondContact O-N 3.21Å
927G80.3Confident78.9Confident60 Ų6040.4 Ų40.462%0.61925%0.247SC*.THydrogen-bonded Turntrans86.7-29.5-176.400000114.5T925 E929T925-G927 PolarHBondContact O-N 3.03Å; G927-E929 VanDerWaalsContact N-CD 3.33Å; G927-E929 PolarHBondContact N-OE1 3.39Å; G927-E929 PolarHBondContact N-OE2 2.87Å
928A82.3Confident80.3Confident67 Ų6738.3 Ų38.355%0.55424%0.236SC*.  trans-98.321.7-178.500000113.6T925 Q926T925-A928 PolarHBondContact O-N 2.88Å; T925-A928 WeakPolarHBondContact OG1-CB 3.46Å; Q926-A928 VanDerWaalsContact C-N 3.25Å; Q926-A928 PolarHBondContact O-N 3.21Å
929E87.3Confident81.6Confident12 Ų1235.6 Ų35.66%0.05622%0.221CC..  trans-73.7140.7-176.3-37.983.6171.200112.1W856 C924 G927 F933 K934 W940W856-E929 PolarHBondContact NE1-OE1 3.2Å; W856-E929 VanDerWaalsContact NE1-OE1 3.08Å; C924-E929 HydrophobicContact CB-CB 4.49Å; C924-E929 HydrophobicContact CB-CG 4.38Å; G927-E929 VanDerWaalsContact N-CD 3.33Å; G927-E929 PolarHBondContact N-OE1 3.39Å; G927-E929 PolarHBondContact N-OE2 2.87Å; E929-F933 HydrophobicContact CB-CB 4.38Å; E929-F933 HydrophobicContact CB-CD1 3.51Å; E929-F933 HydrophobicContact CB-CE1 4.04Å; E929-F933 HydrophobicContact CB-CG 4.16Å; E929-F933 HydrophobicContact CG-CD1 3.88Å; E929-F933 HydrophobicContact CG-CE1 3.86Å; E929-K934 HydrophobicContact CB-CD 4.41Å; E929-K934 HydrophobicContact CB-CG 4.22Å; E929-K934 WeakPolarHBondContact O-CE 3.44Å; E929-K934 PolarHBondContact O-NZ 3.02Å; E929-K934 WeakPolarHBondContact OE2-CE 3.49Å; E929-K934 IonicContact OE2-NZ 3.14Å; E929-K934 PolarHBondContact OE2-NZ 3.3Å; E929-W940 HydrophobicContact CG-CH2 4.12Å; E929-W940 HydrophobicContact CG-CZ2 4.41Å; E929-W940 WeakPolarHBondContact OE1-CH2 3.36Å
930T87.3Confident82.5Confident21 Ų2136.6 Ų36.613%0.12922%0.221CC..  trans-71.4160.4179.657.40000112.8E724 Q922 I932 F933 K934E724-T930 VanDerWaalsContact OE1-CA 3.28Å; E724-T930 WeakPolarHBondContact OE1-CA 3.43Å; E724-T930 VanDerWaalsContact OE1-CB 3.25Å; E724-T930 WeakPolarHBondContact OE1-CB 3.46Å; Q922-T930 VanDerWaalsContact NE2-CG2 3.29Å; T930-I932 PolarHBondContact O-N 2.72Å; T930-F933 PolarHBondContact O-N 2.61Å; T930-F933 PolarHBondContact OG1-N 2.75Å; T930-K934 WeakPolarHBondContact O-CB 3.49Å; T930-K934 VanDerWaalsContact O-CG 3.29Å; T930-K934 WeakPolarHBondContact O-CG 3.37Å; T930-K934 PolarHBondContact O-N 3.48Å
931Q87.6Confident82.3Confident18 Ų1837.7 Ų37.78%0.08423%0.228CC..Hα-helixtrans-59.7-33173.6-52.6-46.3-71.500110.8L716 K719 I720 E724 K934 C935L716-Q931 HydrophobicContact CD1-CB 4.08Å; K719-Q931 HydrophobicContact CB-CG 4.3Å; I720-Q931 HydrophobicContact CD1-CB 4.43Å; I720-Q931 HydrophobicContact CG1-CB 3.74Å; I720-Q931 HydrophobicContact CG1-CG 3.71Å; E724-Q931 PolarHBondContact OE1-N 2.64Å; Q931-K934 PolarHBondContact O-N 2.9Å; Q931-C935 WeakPolarHBondContact O-CB 3.32Å; Q931-C935 PolarHBondContact O-N 2.82Å; Q931-C935 PolarHBondContact O-SG 2.56Å
932I88.2Confident81.1Confident4 Ų441.2 Ų41.22%0.02124%0.244CC..Hα-helixtrans-65.1-42.7176.7-56.2-62000111.7Y662 I673 I720 F854 T930Y662-I932 HydrophobicContact CD1-CD1 4.5Å; Y662-I932 HydrophobicContact CD1-CG2 4.46Å; Y662-I932 HydrophobicContact CD2-CD1 4.04Å; Y662-I932 HydrophobicContact CE1-CD1 4.34Å; Y662-I932 HydrophobicContact CE1-CG1 4.43Å; Y662-I932 HydrophobicContact CE1-CG2 3.73Å; Y662-I932 HydrophobicContact CE2-CD1 3.84Å; Y662-I932 HydrophobicContact CE2-CG1 4.03Å; Y662-I932 HydrophobicContact CG-CD1 4.35Å; I673-I932 HydrophobicContact CD1-CD1 4.23Å; I673-I932 HydrophobicContact CG2-CD1 4.32Å; I720-I932 HydrophobicContact CD1-CD1 4.03Å; F854-I932 HydrophobicContact CZ-CG2 4.24Å; T930-I932 PolarHBondContact O-N 2.72Å
933F88.4Confident79.2Confident1 Ų142.3 Ų42.30%0.00426%0.256CS..Hα-helixtrans-64-50171.4176.9-90.1000110.7L839 L847 F854 W856 E929 T930 C935 Q936 F937 W940L839-F933 HydrophobicContact CD1-CE1 4.35Å; L839-F933 HydrophobicContact CD1-CZ 4.18Å; L847-F933 HydrophobicContact CD2-CD2 4.23Å; L847-F933 HydrophobicContact CD2-CE2 3.91Å; F854-F933 HydrophobicContact CB-CD2 3.75Å; F854-F933 HydrophobicContact CB-CE2 3.93Å; F854-F933 HydrophobicContact CD1-CB 4.23Å; F854-F933 AromaticContact CD1-CD2 3.77Å; F854-F933 HydrophobicContact CD1-CD2 3.77Å; F854-F933 HydrophobicContact CD2-CD2 4.42Å; F854-F933 HydrophobicContact CE1-CB 4.22Å; F854-F933 HydrophobicContact CE1-CD2 4.49Å; F854-F933 AromaticContact CG-CD2 3.74Å; F854-F933 HydrophobicContact CG-CD2 3.74Å; F854-F933 HydrophobicContact CG-CE2 4.39Å; W856-F933 HydrophobicContact CB-CE2 4.18Å; W856-F933 HydrophobicContact CB-CZ 3.93Å; W856-F933 AromaticContact CD1-CE1 3.76Å; W856-F933 AromaticContact CD1-CZ 3.47Å; W856-F933 VanDerWaalsContact CD1-CZ 3.47Å; W856-F933 AromaticContact CG-CZ 3.93Å; W856-F933 HydrophobicContact CG-CZ 3.93Å; E929-F933 HydrophobicContact CB-CB 4.38Å; E929-F933 HydrophobicContact CB-CD1 3.51Å; E929-F933 HydrophobicContact CB-CE1 4.04Å; E929-F933 HydrophobicContact CB-CG 4.16Å; E929-F933 HydrophobicContact CG-CD1 3.88Å; E929-F933 HydrophobicContact CG-CE1 3.86Å; T930-F933 PolarHBondContact O-N 2.61Å; T930-F933 PolarHBondContact OG1-N 2.75Å; F933-C935 VanDerWaalsContact C-N 3.29Å; F933-C935 PolarHBondContact O-N 3.04Å; F933-Q936 WeakPolarHBondContact O-CB 3.44Å; F933-Q936 WeakPolarHBondContact O-CG 3.49Å; F933-Q936 PolarHBondContact O-N 2.76Å; F933-F937 HydrophobicContact CD1-CD2 4.41Å; F933-F937 AromaticContact CD1-CE2 3.82Å; F933-F937 HydrophobicContact CD1-CE2 3.82Å; F933-F937 HydrophobicContact CD2-CE2 4.44Å; F933-F937 HydrophobicContact CE1-CD2 4.22Å; F933-F937 AromaticContact CE1-CE2 3.37Å; F933-F937 HydrophobicContact CE1-CE2 3.37Å; F933-F937 AromaticContact CE1-CZ 3.87Å; F933-F937 HydrophobicContact CE1-CZ 3.87Å; F933-F937 HydrophobicContact CE2-CE2 4.05Å; F933-F937 HydrophobicContact CE2-CZ 4.36Å; F933-F937 HydrophobicContact CG-CE2 4.36Å; F933-F937 AromaticContact CZ-CE2 3.51Å; F933-F937 HydrophobicContact CZ-CE2 3.51Å; F933-F937 AromaticContact CZ-CZ 3.67Å; F933-F937 HydrophobicContact CZ-CZ 3.67Å; F933-F937 WeakPolarHBondContact O-CD2 3.15Å; F933-W940 HydrophobicContact CE1-CH2 4.25Å; F933-W940 AromaticContact CE1-CZ3 3.89Å; F933-W940 HydrophobicContact CE1-CZ3 3.89Å
934K87.4Confident77.1Confident34 Ų3440.2 Ų40.215%0.14824%0.242CC..Hα-helixtrans-58.1-38.7-177.2-71.5170.7160.9136.90112.1E929 T930 Q931 Q936 F937 W940E929-K934 HydrophobicContact CB-CD 4.41Å; E929-K934 HydrophobicContact CB-CG 4.22Å; E929-K934 WeakPolarHBondContact O-CE 3.44Å; E929-K934 PolarHBondContact O-NZ 3.02Å; E929-K934 WeakPolarHBondContact OE2-CE 3.49Å; E929-K934 IonicContact OE2-NZ 3.14Å; E929-K934 PolarHBondContact OE2-NZ 3.3Å; T930-K934 WeakPolarHBondContact O-CB 3.49Å; T930-K934 VanDerWaalsContact O-CG 3.29Å; T930-K934 WeakPolarHBondContact O-CG 3.37Å; T930-K934 PolarHBondContact O-N 3.48Å; Q931-K934 PolarHBondContact O-N 2.9Å; K934-Q936 PolarHBondContact O-N 2.8Å; K934-F937 PolarHBondContact O-N 3.49Å; K934-F937 VanDerWaalsContact O-N 3.13Å; K934-W940 HydrophobicContact CB-CD2 4.36Å; K934-W940 HydrophobicContact CB-CG 4.09Å; K934-W940 HydrophobicContact CD-CZ2 4.46Å; K934-W940 VanDerWaalsContact CE-CE2 3.48Å; K934-W940 VanDerWaalsContact CE-NE1 3.28Å; K934-W940 HydrophobicContact CG-CD2 3.91Å; K934-W940 HydrophobicContact CG-CG 4.06Å; K934-W940 HydrophobicContact CG-CZ2 4.2Å
935C84Confident74.8Confident31 Ų3143.7 Ų43.721%0.20927%0.271CS..THydrogen-bonded Turntrans-66.6-10.6176.3-720000115.6I673 Q931 F933 F937I673-C935 HydrophobicContact CD1-CB 3.45Å; I673-C935 VanDerWaalsContact CD1-CB 3.45Å; I673-C935 HydrophobicContact CG1-CB 4.25Å; Q931-C935 WeakPolarHBondContact O-CB 3.32Å; Q931-C935 PolarHBondContact O-N 2.82Å; Q931-C935 PolarHBondContact O-SG 2.56Å; F933-C935 VanDerWaalsContact C-N 3.29Å; F933-C935 PolarHBondContact O-N 3.04Å; C935-F937 VanDerWaalsContact C-N 3.31Å
936Q84.5Confident72.3Confident21 Ų2142.3 Ų42.310%0.09826%0.262CS..THydrogen-bonded Turntrans-73.1-28.6171.9-57-57-29.500111.5R670 L834 L847 F933 K934R670-Q936 PolarHBondContact NH2-O 3.09Å; L834-Q936 HydrophobicContact CD1-CB 3.8Å; L847-Q936 HydrophobicContact CD2-CB 4.29Å; L847-Q936 HydrophobicContact CD2-CG 4.44Å; F933-Q936 WeakPolarHBondContact O-CB 3.44Å; F933-Q936 WeakPolarHBondContact O-CG 3.49Å; F933-Q936 PolarHBondContact O-N 2.76Å; K934-Q936 PolarHBondContact O-N 2.8Å
937F86.2Confident69.6Low8 Ų843.2 Ų43.24%0.03527%0.269CS..BIsolated β-bridgetrans-87.5150.8-176.8-62.2-98.8000111.8L834 L839 L847 F933 K934 C935 W940L834-F937 HydrophobicContact CB-CB 4.46Å; L834-F937 HydrophobicContact CB-CD1 3.58Å; L834-F937 HydrophobicContact CB-CE1 3.91Å; L834-F937 HydrophobicContact CB-CG 4.03Å; L834-F937 CarbonylContact O-C 3.53Å; L834-F937 VanDerWaalsContact O-CA 3.27Å; L834-F937 WeakPolarHBondContact O-CA 2.84Å; L839-F937 HydrophobicContact CD1-CE1 4.07Å; L839-F937 HydrophobicContact CD1-CZ 3.95Å; L839-F937 HydrophobicContact CG-CE1 4.32Å; L847-F937 HydrophobicContact CD2-CE2 4.04Å; L847-F937 HydrophobicContact CD2-CZ 4.17Å; F933-F937 HydrophobicContact CD1-CD2 4.41Å; F933-F937 AromaticContact CD1-CE2 3.82Å; F933-F937 HydrophobicContact CD1-CE2 3.82Å; F933-F937 HydrophobicContact CD2-CE2 4.44Å; F933-F937 HydrophobicContact CE1-CD2 4.22Å; F933-F937 AromaticContact CE1-CE2 3.37Å; F933-F937 HydrophobicContact CE1-CE2 3.37Å; F933-F937 AromaticContact CE1-CZ 3.87Å; F933-F937 HydrophobicContact CE1-CZ 3.87Å; F933-F937 HydrophobicContact CE2-CE2 4.05Å; F933-F937 HydrophobicContact CE2-CZ 4.36Å; F933-F937 HydrophobicContact CG-CE2 4.36Å; F933-F937 AromaticContact CZ-CE2 3.51Å; F933-F937 HydrophobicContact CZ-CE2 3.51Å; F933-F937 AromaticContact CZ-CZ 3.67Å; F933-F937 HydrophobicContact CZ-CZ 3.67Å; F933-F937 WeakPolarHBondContact O-CD2 3.15Å; K934-F937 PolarHBondContact O-N 3.49Å; K934-F937 VanDerWaalsContact O-N 3.13Å; C935-F937 VanDerWaalsContact C-N 3.31Å; F937-W940 HydrophobicContact CB-CB 3.8Å; F937-W940 HydrophobicContact CB-CE3 4.22Å; F937-W940 HydrophobicContact CD1-CE3 4.3Å; F937-W940 AromaticContact CD2-CE3 3.93Å; F937-W940 HydrophobicContact CD2-CE3 3.93Å; F937-W940 HydrophobicContact CD2-CZ3 4.43Å; F937-W940 HydrophobicContact CE2-CE3 4.43Å; F937-W940 HydrophobicContact CE2-CZ3 4.49Å; F937-W940 AromaticContact CG-CE3 3.89Å; F937-W940 HydrophobicContact CG-CE3 3.89Å
938C77.3Confident67.4Low49 Ų4947.7 Ų47.733%0.33127%0.272SS..SBendtrans-96.2-15.6-17566.70000115.1L833 L834L833-C938 HydrophobicContact CB-CB 4.42Å; L834-C938 PolarHBondContact O-N 2.74Å; L834-C938 PolarHBondContact O-SG 2.99Å
939D75.8Confident65Low59 Ų5950.1 Ų50.132%0.31628%0.28SS..SBendtrans-121.57.6178.867.1-18.6000112.2S835 K836 R837 D941S835-D939 WeakPolarHBondContact CA-OD1 2.92Å; S835-D939 WeakPolarHBondContact CB-OD2 3.41Å; S835-D939 VanDerWaalsContact OG-CG 3.31Å; S835-D939 PolarHBondContact OG-OD1 3.31Å; S835-D939 PolarHBondContact OG-OD2 3.47Å; K836-D939 PolarHBondContact N-OD1 3.06Å; R837-D939 IonicContact NE-OD2 3.31Å; D939-D941 PolarHBondContact O-N 3.23Å; D939-D941 VanDerWaalsContact O-N 3.1Å
940W73.6Confident62.7Low43 Ų4358.6 Ų58.616%0.16331%0.311CS..  trans-78.627.9162.4-141.9-49.2000111.5K836 L839 E929 F933 K934 F937 E942K836-W940 HydrophobicContact CB-CD2 4.22Å; K836-W940 HydrophobicContact CB-CE3 3.74Å; K836-W940 HydrophobicContact CB-CZ3 4.18Å; K836-W940 HydrophobicContact CD-CD2 3.75Å; K836-W940 HydrophobicContact CD-CE3 3.93Å; K836-W940 HydrophobicContact CD-CG 4.24Å; K836-W940 HydrophobicContact CD-CH2 4.26Å; K836-W940 HydrophobicContact CD-CZ2 4.08Å; K836-W940 HydrophobicContact CD-CZ3 4.19Å; K836-W940 HydrophobicContact CG-CD2 4.03Å; K836-W940 HydrophobicContact CG-CE3 3.67Å; K836-W940 HydrophobicContact CG-CH2 4.13Å; K836-W940 HydrophobicContact CG-CZ2 4.46Å; K836-W940 HydrophobicContact CG-CZ3 3.73Å; L839-W940 HydrophobicContact CD1-CH2 4.43Å; L839-W940 HydrophobicContact CD1-CZ3 3.87Å; E929-W940 HydrophobicContact CG-CH2 4.12Å; E929-W940 HydrophobicContact CG-CZ2 4.41Å; E929-W940 WeakPolarHBondContact OE1-CH2 3.36Å; F933-W940 HydrophobicContact CE1-CH2 4.25Å; F933-W940 AromaticContact CE1-CZ3 3.89Å; F933-W940 HydrophobicContact CE1-CZ3 3.89Å; K934-W940 HydrophobicContact CB-CD2 4.36Å; K934-W940 HydrophobicContact CB-CG 4.09Å; K934-W940 HydrophobicContact CD-CZ2 4.46Å; K934-W940 VanDerWaalsContact CE-CE2 3.48Å; K934-W940 VanDerWaalsContact CE-NE1 3.28Å; K934-W940 HydrophobicContact CG-CD2 3.91Å; K934-W940 HydrophobicContact CG-CG 4.06Å; K934-W940 HydrophobicContact CG-CZ2 4.2Å; F937-W940 HydrophobicContact CB-CB 3.8Å; F937-W940 HydrophobicContact CB-CE3 4.22Å; F937-W940 HydrophobicContact CD1-CE3 4.3Å; F937-W940 AromaticContact CD2-CE3 3.93Å; F937-W940 HydrophobicContact CD2-CE3 3.93Å; F937-W940 HydrophobicContact CD2-CZ3 4.43Å; F937-W940 HydrophobicContact CE2-CE3 4.43Å; F937-W940 HydrophobicContact CE2-CZ3 4.49Å; F937-W940 AromaticContact CG-CE3 3.89Å; F937-W940 HydrophobicContact CG-CE3 3.89Å; W940-E942 PolarHBondContact O-N 3.08Å
941D57.6Low60.5Low107 Ų10762.6 Ų62.657%0.57234%0.336SS*.  trans-76.885.5179-106.1-2.6000109.3D939 A943D939-D941 PolarHBondContact O-N 3.23Å; D939-D941 VanDerWaalsContact O-N 3.1Å; D941-A943 HydrophobicContact CB-CB 3.98Å; D941-A943 PolarHBondContact O-N 2.97Å; D941-A943 VanDerWaalsContact O-N 3.15Å; D941-A943 WeakPolarHBondContact OD1-CA 3.11Å
942E52.6Low58.2Low99 Ų9965.4 Ų65.446%0.46336%0.362SS..SBend-68.285.3122.6-72.7-179.2-166.900107.2K719 R723 W940 L944K719-E942 PolarHBondContact NZ-O 3.13Å; K719-E942 IonicContact NZ-OE2 2.69Å; K719-E942 PolarHBondContact NZ-OE2 3.25Å; R723-E942 VanDerWaalsContact CZ-CD 3.48Å; R723-E942 IonicContact CZ-OE1 3.58Å; R723-E942 IonicContact CZ-OE2 3.95Å; R723-E942 IonicContact NE-OE2 3.65Å; R723-E942 IonicContact NH1-OE1 3.51Å; R723-E942 PolarHBondContact NH1-OE1 2.77Å; R723-E942 IonicContact NH1-OE2 3.78Å; R723-E942 PolarHBondContact NH1-OE2 3.05Å; R723-E942 IonicContact NH2-OE1 2.84Å; R723-E942 PolarHBondContact NH2-OE1 3.07Å; R723-E942 IonicContact NH2-OE2 3.82Å; R723-E942 PolarHBondContact NH2-OE2 2.82Å; R723-E942 VanDerWaalsContact NH2-OE2 3.08Å; W940-E942 PolarHBondContact O-N 3.08Å; E942-L944 PolarHBondContact O-N 2.78Å
943A42.1Very low55.9Low46 Ų4670.4 Ų70.438%0.3839%0.389SS..  trans-53.6139.4-160.200000113.1D941 A945D941-A943 HydrophobicContact CB-CB 3.98Å; D941-A943 PolarHBondContact O-N 2.97Å; D941-A943 VanDerWaalsContact O-N 3.15Å; D941-A943 WeakPolarHBondContact OD1-CA 3.11Å; A943-A945 HydrophobicContact CB-CB 3.68Å; A943-A945 PolarHBondContact O-N 3.15Å
944L40Very low53.7Low23 Ų2373.6 Ų73.612%0.1241%0.411CS..  trans-73.251.7156.5-66.8169000108.9L671 K712 L715 E942 V946L671-L944 HydrophobicContact CB-CD1 4.37Å; L671-L944 HydrophobicContact CD2-CD1 3.74Å; K712-L944 HydrophobicContact CB-CD1 4.47Å; K712-L944 HydrophobicContact CD-CB 4.17Å; K712-L944 VanDerWaalsContact CE-O 3.23Å; K712-L944 WeakPolarHBondContact CE-O 3.26Å; K712-L944 HydrophobicContact CG-CB 4.16Å; L715-L944 HydrophobicContact CB-CD2 3.56Å; E942-L944 PolarHBondContact O-N 2.78Å; L944-V946 PolarHBondContact O-N 3.02Å
945A36Very low51.5Low77 Ų7777.4 Ų77.464%0.63644%0.437SS*.  trans-75.590.8179.700000108.4A943 D947A943-A945 HydrophobicContact CB-CB 3.68Å; A943-A945 PolarHBondContact O-N 3.15Å; A945-D947 PolarHBondContact O-N 3.01Å
946V34Very low49.6Very low39 Ų3979.8 Ų79.824%0.23646%0.459CS..  trans-61123.2166177.70000107.5T711 K712 L715 L944 F948T711-V946 HydrophobicContact CG2-CG1 4.43Å; T711-V946 HydrophobicContact CG2-CG2 3.83Å; K712-V946 HydrophobicContact CG-CG2 4.12Å; L715-V946 HydrophobicContact CD1-CG2 4.21Å; L944-V946 PolarHBondContact O-N 3.02Å; V946-F948 WeakPolarHBondContact O-CD2 3.47Å; V946-F948 PolarHBondContact O-N 3.12Å
947D29.3Very low47.7Very low88 Ų8888.5 Ų88.547%0.47149%0.491SS..  trans-64.9119.5-172.6-179.25.3000112.4A945 T949A945-D947 PolarHBondContact O-N 3.01Å; D947-T949 VanDerWaalsContact CG-OG1 3.23Å; D947-T949 VanDerWaalsContact OD1-CB 3.31Å; D947-T949 WeakPolarHBondContact OD1-CB 3.06Å; D947-T949 WeakPolarHBondContact OD1-CG2 3.25Å; D947-T949 PolarHBondContact OD1-N 2.69Å; D947-T949 PolarHBondContact OD1-OG1 3.21Å; D947-T949 PolarHBondContact OD2-OG1 3.07Å; D947-T949 VanDerWaalsContact OD2-OG1 3.14Å
948F33.1Very low45.5Very low154 Ų15498.1 Ų98.168%0.67553%0.527SS*.  trans-107.219-179.6-77.3-71.4000113.8I708 V946 R950I708-F948 HydrophobicContact CD1-CZ 4.17Å; V946-F948 WeakPolarHBondContact O-CD2 3.47Å; V946-F948 PolarHBondContact O-N 3.12Å; F948-R950 PolarHBondContact O-N 2.85Å
949T33.1Very low43.3Very low119 Ų11999.5 Ų99.573%0.7355%0.549SS*.  trans-63.919.6169.956.10000114.6D947 T951D947-T949 VanDerWaalsContact CG-OG1 3.23Å; D947-T949 VanDerWaalsContact OD1-CB 3.31Å; D947-T949 WeakPolarHBondContact OD1-CB 3.06Å; D947-T949 WeakPolarHBondContact OD1-CG2 3.25Å; D947-T949 PolarHBondContact OD1-N 2.69Å; D947-T949 PolarHBondContact OD1-OG1 3.21Å; D947-T949 PolarHBondContact OD2-OG1 3.07Å; D947-T949 VanDerWaalsContact OD2-OG1 3.14Å; T949-T951 PolarHBondContact O-N 2.99Å
950R38.3Very low41.4Very low189 Ų189101.8 Ų101.871%0.71357%0.565SS**  trans-9590.9-162.5-66.5-172.9173.9-149.2-6.1114.2F948F948-R950 PolarHBondContact O-N 2.85Å
951T42.5Very low39.9Very low106 Ų106102.7 Ų102.765%0.6557%0.573SS**  trans68.3132146.366.80000120.4T949 D953 S954T949-T951 PolarHBondContact O-N 2.99Å; T951-D953 VanDerWaalsContact C-N 3.31Å; T951-D953 PolarHBondContact O-N 3.38Å; T951-S954 VanDerWaalsContact O-CB 3.31Å; T951-S954 WeakPolarHBondContact O-CB 3.42Å; T951-S954 PolarHBondContact O-N 3.47Å; T951-S954 VanDerWaalsContact O-N 3.16Å
952A37.6Very low38.9Very low76 Ų76101.1 Ų101.163%0.62856%0.564SS**Hα-helixtrans-62-28.3-176.300000114.9S954 V955 A956A952-S954 PolarHBondContact O-N 2.75Å; A952-S954 VanDerWaalsContact O-N 3.16Å; A952-V955 WeakPolarHBondContact O-CB 3.44Å; A952-V955 PolarHBondContact O-N 2.97Å; A952-A956 PolarHBondContact O-N 3.45Å
953D40.3Very low38.4Very low110 Ų11099.2 Ų99.259%0.58856%0.557SS**Hα-helixtrans-64.3-16.8177.2-83-17000114T951 R957T951-D953 VanDerWaalsContact C-N 3.31Å; T951-D953 PolarHBondContact O-N 3.38Å; D953-R957 PolarHBondContact O-NE 2.96Å
954S42.5Very low38.6Very low68 Ų68102 Ų10248%0.47656%0.561SS.*Hα-helixtrans-73-44.1170.2-172.30000110.9T951 A952T951-S954 VanDerWaalsContact O-CB 3.31Å; T951-S954 WeakPolarHBondContact O-CB 3.42Å; T951-S954 PolarHBondContact O-N 3.47Å; T951-S954 VanDerWaalsContact O-N 3.16Å; A952-S954 PolarHBondContact O-N 2.75Å; A952-S954 VanDerWaalsContact O-N 3.16Å
955V40.7Very low38.6Very low113 Ų113105.6 Ų105.669%0.68558%0.579SS**Hα-helixtrans-66.6-47.4179.2-174.30000110.6A952 R957 R958A952-V955 WeakPolarHBondContact O-CB 3.44Å; A952-V955 PolarHBondContact O-N 2.97Å; V955-R957 VanDerWaalsContact C-N 3.26Å; V955-R957 PolarHBondContact O-N 3.12Å; V955-R958 PolarHBondContact O-N 3.23Å
956A44.1Very low38.8Very low82 Ų82104.1 Ų104.168%0.67856%0.56SS**Hα-helixtrans-59.3-33-178.400000113.6A952A952-A956 PolarHBondContact O-N 3.45Å
957R44.4Very low39.2Very low204 Ų204103.3 Ų103.377%0.7755%0.554SS**Hα-helixtrans-82.9-15.1-178.1-86.7-178.8-81.7-168.6-11.6115.1D953 V955D953-R957 PolarHBondContact O-NE 2.96Å; V955-R957 VanDerWaalsContact C-N 3.26Å; V955-R957 PolarHBondContact O-N 3.12Å
958R40.3Very low39.8Very low210 Ų210106.7 Ų106.779%0.79256%0.564SS**Hα-helixtrans-103.4-14.1-166.6-133.7175.7-1721802.5116.2V955 V960V955-R958 PolarHBondContact O-N 3.23Å; R958-V960 PolarHBondContact O-N 2.81Å
959G32.1Very low40.3Very low77 Ų77105 Ų10579%0.79456%0.563SS**  trans57.237.4158.400000117.5
960V34.4Very low40.7Very low107 Ų107103.6 Ų103.665%0.64855%0.546SS*.  trans-120.3113.5177.21750000111.5R958 I962R958-V960 PolarHBondContact O-N 2.81Å; V960-I962 PolarHBondContact O-N 3.06Å
961D43.6Very low40.9Very low62 Ų6296.3 Ų96.333%0.33252%0.523SS..  trans5.598.4159-161.8-9.5000117.9N963 K964D961-N963 PolarHBondContact O-N 2.92Å; D961-N963 WeakPolarHBondContact OD1-CB 3.46Å; D961-N963 PolarHBondContact OD1-N 3.33Å; D961-N963 VanDerWaalsContact OD1-N 3.1Å; D961-K964 HydrophobicContact CB-CB 4.45Å; D961-K964 HydrophobicContact CB-CD 4.08Å; D961-K964 HydrophobicContact CB-CG 4.19Å; D961-K964 PolarHBondContact O-N 2.86Å; D961-K964 VanDerWaalsContact OD2-CE 3.27Å; D961-K964 WeakPolarHBondContact OD2-CE 3.49Å
962I35.7Very low41.2Very low74 Ų7494.3 Ų94.338%0.37952%0.517SS..Hα-helixtrans-56.2-30.4175.5-71.1168.3000112.5V960 I965 L966V960-I962 PolarHBondContact O-N 3.06Å; I962-I965 PolarHBondContact O-N 2.88Å; I962-L966 HydrophobicContact CG2-CD1 3.88Å; I962-L966 PolarHBondContact O-N 3.31Å
963N42.8Very low42.4Very low59 Ų5992 Ų9232%0.31650%0.496SS..Hα-helixtrans-69.5-38.7-176.7-64.8-9.4000110.5P408 D961 I965 L966 E967P408-N963 PolarHBondContact O-ND2 2.9Å; D961-N963 PolarHBondContact O-N 2.92Å; D961-N963 WeakPolarHBondContact OD1-CB 3.46Å; D961-N963 PolarHBondContact OD1-N 3.33Å; D961-N963 VanDerWaalsContact OD1-N 3.1Å; N963-I965 PolarHBondContact O-N 2.82Å; N963-L966 PolarHBondContact O-N 3.26Å; N963-E967 WeakPolarHBondContact O-CB 3.39Å; N963-E967 WeakPolarHBondContact O-CG 3.31Å; N963-E967 PolarHBondContact O-N 3.25Å
964K46.1Very low44Very low106 Ų10688.3 Ų88.346%0.46148%0.476SS..Hα-helixtrans-64.3-22.4176.8-69.6-179.5-176.3175.90114.4D961 K968D961-K964 HydrophobicContact CB-CB 4.45Å; D961-K964 HydrophobicContact CB-CD 4.08Å; D961-K964 HydrophobicContact CB-CG 4.19Å; D961-K964 PolarHBondContact O-N 2.86Å; D961-K964 VanDerWaalsContact OD2-CE 3.27Å; D961-K964 WeakPolarHBondContact OD2-CE 3.49Å; K964-K968 WeakPolarHBondContact O-CB 3.46Å; K964-K968 PolarHBondContact O-N 3.16Å
965I39.6Very low46Very low98 Ų9885.3 Ų85.350%0.50345%0.454SS..Hα-helixtrans-80.9-53.3175.4-58.9173.6000109.1I962 N963 E967 K968 D969I962-I965 PolarHBondContact O-N 2.88Å; N963-I965 PolarHBondContact O-N 2.82Å; I965-E967 PolarHBondContact O-N 3.36Å; I965-E967 VanDerWaalsContact O-N 3.15Å; I965-K968 PolarHBondContact O-N 3.03Å; I965-D969 PolarHBondContact O-N 3.01Å
966L39.5Very low47.9Very low46 Ų4684.6 Ų84.624%0.24144%0.439CS..Hα-helixtrans-55-31.5175.6-82.4167.5000114I962 N963 V1331 K1334I962-L966 HydrophobicContact CG2-CD1 3.88Å; I962-L966 PolarHBondContact O-N 3.31Å; N963-L966 PolarHBondContact O-N 3.26Å; L966-V1331 HydrophobicContact CD2-CB 4.32Å; L966-V1331 HydrophobicContact CD2-CG1 3.81Å; L966-V1331 HydrophobicContact CD2-CG2 3.89Å; L966-V1331 HydrophobicContact CG-CG2 4.42Å; L966-K1334 HydrophobicContact CD1-CD 4.37Å
967E43.6Very low49.9Very low21 Ų2181.7 Ų81.710%0.09842%0.415CS..Hα-helixtrans-80.6-44-177.4-83.5178.5148.400113.8D405 N406 N407 N963 I965 K970D405-E967 HydrophobicContact CB-CB 4.09Å; N406-E967 WeakPolarHBondContact CA-OE2 3.38Å; N406-E967 PolarHBondContact N-OE2 3.14Å; N407-E967 VanDerWaalsContact CA-OE1 3.24Å; N407-E967 WeakPolarHBondContact CA-OE1 3.19Å; N407-E967 PolarHBondContact N-OE1 2.93Å; N407-E967 PolarHBondContact N-OE2 2.89Å; N963-E967 WeakPolarHBondContact O-CB 3.39Å; N963-E967 WeakPolarHBondContact O-CG 3.31Å; N963-E967 PolarHBondContact O-N 3.25Å; I965-E967 PolarHBondContact O-N 3.36Å; I965-E967 VanDerWaalsContact O-N 3.15Å; E967-K970 WeakPolarHBondContact O-CG 3.33Å
968K41.6Very low51.9Low159 Ų15972 Ų7269%0.69138%0.379SS*.Hα-helixtrans-84.9-34.4-170.1-160-178.8-173-174.10112.5K964 I965K964-K968 WeakPolarHBondContact O-CB 3.46Å; K964-K968 PolarHBondContact O-N 3.16Å; I965-K968 PolarHBondContact O-N 3.03Å
969D42.9Very low54.1Low120 Ų12062.1 Ų62.164%0.64234%0.342SS*.SBendtrans-103.154178.6-58.8-44.6000109.4I965 P971I965-D969 PolarHBondContact O-N 3.01Å; D969-P971 VanDerWaalsContact O-CD 3.25Å; D969-P971 WeakPolarHBondContact O-CD 3.35Å
970K41.5Very low56.6Low89 Ų8960.2 Ų60.239%0.38732%0.318SS..  trans-46.9111.7-175.3-64.3174.1-156.3150.40110.1F402 D405 E967 A972F402-K970 VanDerWaalsContact O-CE 3.26Å; F402-K970 WeakPolarHBondContact O-CE 3.44Å; F402-K970 PolarHBondContact O-NZ 3.08Å; D405-K970 WeakPolarHBondContact OD1-CE 3.39Å; D405-K970 IonicContact OD1-NZ 3.14Å; D405-K970 PolarHBondContact OD1-NZ 3.21Å; D405-K970 IonicContact OD2-NZ 3.49Å; E967-K970 WeakPolarHBondContact O-CG 3.33Å; K970-A972 PolarHBondContact O-N 3.01Å; K970-A972 VanDerWaalsContact O-N 3.14Å
971P42.1Very low58.9Low35 Ų3560.2 Ų60.223%0.22732%0.321CS..  trans-63.2125.8172.625.6-31.4000106.7D969 T973 F1292 L1335D969-P971 VanDerWaalsContact O-CD 3.25Å; D969-P971 WeakPolarHBondContact O-CD 3.35Å; P971-T973 WeakPolarHBondContact O-CG2 3.27Å; P971-F1292 HydrophobicContact CB-CB 4.33Å; P971-L1335 HydrophobicContact CG-CD1 4.17Å
972A50.2Low60.7Low64 Ų6460.3 Ų60.353%0.52932%0.317SS..  trans-56.7152159.300000107.7K970 Y1291 F1292K970-A972 PolarHBondContact O-N 3.01Å; K970-A972 VanDerWaalsContact O-N 3.14Å; A972-Y1291 HydrophobicContact CB-CD2 4.21Å; A972-Y1291 HydrophobicContact CB-CG 4.15Å; A972-Y1291 CarbonylContact O-C 3.57Å; A972-Y1291 VanDerWaalsContact O-CB 3.24Å; A972-Y1291 WeakPolarHBondContact O-CB 3.35Å; A972-Y1291 WeakPolarHBondContact O-CD2 3.14Å; A972-F1292 PolarHBondContact O-N 3.49Å
973T61.5Low62.6Low29 Ų2963 Ų6318%0.17833%0.327CS..EExtended strand (participates in β ladder)trans-138.1118-170.759.60000111.6M484 P971 F1292M484-T973 HydrophobicContact CE-CG2 4.33Å; M484-T973 WeakPolarHBondContact CE-OG1 3.3Å; P971-T973 WeakPolarHBondContact O-CG2 3.27Å; T973-F1292 VanDerWaalsContact CA-O 3.24Å; T973-F1292 WeakPolarHBondContact CA-O 3.4Å; T973-F1292 HydrophobicContact CG2-CB 4.31Å
974D75.3Confident64.2Low32 Ų3266.3 Ų66.317%0.17135%0.35CS..EExtended strand (participates in β ladder)trans-121.595.8-179.1-172.2-6.1000110.1R976 Y1291 F1292 C1293 A1294D974-R976 VanDerWaalsContact CG-NE 3.31Å; D974-R976 VanDerWaalsContact OD1-CB 3.3Å; D974-R976 WeakPolarHBondContact OD1-CB 3.48Å; D974-R976 WeakPolarHBondContact OD1-CG 3.44Å; D974-R976 IonicContact OD1-CZ 3.24Å; D974-R976 PolarHBondContact OD1-N 3.1Å; D974-R976 VanDerWaalsContact OD1-N 3.12Å; D974-R976 IonicContact OD1-NE 2.73Å; D974-R976 PolarHBondContact OD1-NE 3.08Å; D974-R976 IonicContact OD1-NH2 2.68Å; D974-R976 IonicContact OD2-CZ 2.77Å; D974-R976 VanDerWaalsContact OD2-CZ 3.29Å; D974-R976 IonicContact OD2-NE 2.62Å; D974-R976 PolarHBondContact OD2-NE 3.28Å; D974-R976 IonicContact OD2-NH2 3.97Å; D974-R976 PolarHBondContact OD2-NH2 3.15Å; D974-Y1291 HydrophobicContact CB-CE2 3.87Å; D974-F1292 PolarHBondContact N-O 2.96Å; D974-F1292 VanDerWaalsContact N-O 3.17Å; D974-C1293 HydrophobicContact CB-CB 4.22Å; D974-C1293 CarbonylContact O-C 3.4Å; D974-C1293 WeakPolarHBondContact O-CA 3.46Å; D974-A1294 PolarHBondContact O-N 2.91Å
975L83.2Confident65.5Low4 Ų464.2 Ų64.22%0.02135%0.348CS..  trans-107.125.7174.9-57.6-179.6000111.9L481 M484 A977 L978 L1285 F1292 A1294 A1339L481-L975 HydrophobicContact CD2-CB 3.43Å; L481-L975 VanDerWaalsContact CD2-CB 3.43Å; L481-L975 HydrophobicContact CD2-CD1 4.14Å; L481-L975 HydrophobicContact CD2-CG 4.42Å; M484-L975 HydrophobicContact CE-CB 4.11Å; M484-L975 HydrophobicContact CE-CD1 3.51Å; M484-L975 HydrophobicContact CE-CG 3.5Å; M484-L975 HydrophobicContact SD-CB 3.74Å; M484-L975 HydrophobicContact SD-CD1 3.68Å; M484-L975 HydrophobicContact SD-CG 3.77Å; L975-A977 PolarHBondContact O-N 2.91Å; L975-L978 HydrophobicContact CB-CD1 4.14Å; L975-L978 HydrophobicContact CD1-CD1 4.16Å; L975-L978 HydrophobicContact CD2-CD1 4.21Å; L975-L978 HydrophobicContact CG-CD1 4.4Å; L975-L978 WeakPolarHBondContact O-CB 3.5Å; L975-L978 PolarHBondContact O-N 3.4Å; L975-L1285 HydrophobicContact CD2-CD2 4.26Å; L975-F1292 HydrophobicContact CD2-CD1 4.23Å; L975-F1292 HydrophobicContact CD2-CE1 3.93Å; L975-A1294 HydrophobicContact CB-CB 4.39Å; L975-A1294 HydrophobicContact CD2-CB 3.55Å; L975-A1339 HydrophobicContact CD1-CB 3.84Å
976R81Confident67.6Low98 Ų9862.4 Ų62.437%0.3734%0.339SS..G310 helixtrans-56.3-36.1-177.7-71.2177.9-63146.93.6112.7M484 A488 D974 L978 L979 A980M484-R976 VanDerWaalsContact O-CG 3.27Å; M484-R976 WeakPolarHBondContact O-CG 3.32Å; A488-R976 HydrophobicContact CB-CG 3.86Å; D974-R976 VanDerWaalsContact CG-NE 3.31Å; D974-R976 VanDerWaalsContact OD1-CB 3.3Å; D974-R976 WeakPolarHBondContact OD1-CB 3.48Å; D974-R976 WeakPolarHBondContact OD1-CG 3.44Å; D974-R976 IonicContact OD1-CZ 3.24Å; D974-R976 PolarHBondContact OD1-N 3.1Å; D974-R976 VanDerWaalsContact OD1-N 3.12Å; D974-R976 IonicContact OD1-NE 2.73Å; D974-R976 PolarHBondContact OD1-NE 3.08Å; D974-R976 IonicContact OD1-NH2 2.68Å; D974-R976 IonicContact OD2-CZ 2.77Å; D974-R976 VanDerWaalsContact OD2-CZ 3.29Å; D974-R976 IonicContact OD2-NE 2.62Å; D974-R976 PolarHBondContact OD2-NE 3.28Å; D974-R976 IonicContact OD2-NH2 3.97Å; D974-R976 PolarHBondContact OD2-NH2 3.15Å; R976-L978 VanDerWaalsContact C-N 3.29Å; R976-L978 PolarHBondContact O-N 2.72Å; R976-L979 PolarHBondContact O-N 2.65Å; R976-A980 PolarHBondContact O-N 3.37Å; R976-A980 VanDerWaalsContact O-N 3.12Å
977A86Confident69.8Low21 Ų2163.8 Ų63.817%0.17435%0.349CS..G310 helixtrans-58-36.6175.600000113.4L975 L979 R1281 F1283 A1294 E1296L975-A977 PolarHBondContact O-N 2.91Å; A977-L979 PolarHBondContact O-N 2.84Å; A977-R1281 PolarHBondContact O-NH2 3.45Å; A977-F1283 HydrophobicContact CB-CD1 4.37Å; A977-F1283 WeakPolarHBondContact O-CE1 3.41Å; A977-A1294 HydrophobicContact CB-CB 4.45Å; A977-A1294 WeakPolarHBondContact CB-O 3.31Å; A977-E1296 HydrophobicContact CB-CB 4.2Å
978L87.3Confident71.8Confident0 Ų066.3 Ų66.30%036%0.363CS..G310 helixtrans-67.1-14.2177.1-70.6179.3000113.4L481 L975 R976 F1283 L1285 A1294 L1313 A1339 Y1343L481-L978 HydrophobicContact CD1-CB 4.01Å; L481-L978 HydrophobicContact CD2-CB 4.38Å; L975-L978 HydrophobicContact CB-CD1 4.14Å; L975-L978 HydrophobicContact CD1-CD1 4.16Å; L975-L978 HydrophobicContact CD2-CD1 4.21Å; L975-L978 HydrophobicContact CG-CD1 4.4Å; L975-L978 WeakPolarHBondContact O-CB 3.5Å; L975-L978 PolarHBondContact O-N 3.4Å; R976-L978 VanDerWaalsContact C-N 3.29Å; R976-L978 PolarHBondContact O-N 2.72Å; L978-F1283 HydrophobicContact CD2-CB 4Å; L978-F1283 HydrophobicContact CD2-CD1 3.61Å; L978-F1283 HydrophobicContact CD2-CD2 3.51Å; L978-F1283 HydrophobicContact CD2-CE1 3.86Å; L978-F1283 HydrophobicContact CD2-CE2 3.75Å; L978-F1283 HydrophobicContact CD2-CG 3.42Å; L978-F1283 VanDerWaalsContact CD2-CG 3.42Å; L978-F1283 HydrophobicContact CD2-CZ 3.9Å; L978-F1283 HydrophobicContact CG-CD1 4.38Å; L978-L1285 HydrophobicContact CD1-CD2 4.26Å; L978-A1294 HydrophobicContact CD1-CB 4.31Å; L978-A1294 HydrophobicContact CG-CB 3.93Å; L978-L1313 HydrophobicContact CD1-CD1 4.34Å; L978-L1313 HydrophobicContact CD2-CD1 3.96Å; L978-L1313 HydrophobicContact CD2-CD2 4.25Å; L978-A1339 HydrophobicContact CD1-CB 3.96Å; L978-Y1343 HydrophobicContact CB-CD2 3.98Å; L978-Y1343 HydrophobicContact CD2-CD2 3.85Å; L978-Y1343 HydrophobicContact CD2-CE2 4.38Å; L978-Y1343 HydrophobicContact CD2-CG 4.22Å; L978-Y1343 HydrophobicContact CG-CD2 4.46Å; L978-Y1343 WeakPolarHBondContact O-CD2 3.45Å; L978-Y1343 WeakPolarHBondContact O-CE2 3.45Å
979L86.7Confident74Confident3 Ų366.5 Ų66.52%0.01637%0.366CS..THydrogen-bonded Turntrans-104.7-32.5-178-74.4167.9000113.6E418 L481 Q485 R976 A977 H1346E418-L979 HydrophobicContact CB-CD2 4.35Å; E418-L979 WeakPolarHBondContact OE1-CB 3.32Å; L481-L979 HydrophobicContact CB-CD1 4.23Å; L481-L979 HydrophobicContact CB-CD2 4.1Å; L481-L979 HydrophobicContact CB-CG 4.33Å; L481-L979 HydrophobicContact CD1-CD2 3.76Å; L481-L979 HydrophobicContact CD1-CG 3.91Å; L481-L979 HydrophobicContact CD2-CD1 3.75Å; L481-L979 HydrophobicContact CD2-CD2 4.41Å; L481-L979 HydrophobicContact CD2-CG 3.79Å; L481-L979 HydrophobicContact CG-CD1 4.4Å; L481-L979 HydrophobicContact CG-CD2 4.3Å; L481-L979 HydrophobicContact CG-CG 4.22Å; Q485-L979 HydrophobicContact CB-CD1 3.9Å; Q485-L979 HydrophobicContact CG-CD1 4.16Å; Q485-L979 VanDerWaalsContact NE2-CD1 3.25Å; R976-L979 PolarHBondContact O-N 2.65Å; A977-L979 PolarHBondContact O-N 2.84Å; L979-H1346 HydrophobicContact CD2-CB 4.41Å; L979-H1346 PolarHBondContact O-NE2 3.43Å
980A84.2Confident76.2Confident37 Ų3765.4 Ų65.431%0.30636%0.357SS..SBendtrans-48143.4179.100000111R976 R1281R976-A980 PolarHBondContact O-N 3.37Å; R976-A980 VanDerWaalsContact O-N 3.12Å; A980-R1281 VanDerWaalsContact O-CZ 3.25Å; A980-R1281 PolarHBondContact O-NH1 2.88Å; A980-R1281 PolarHBondContact O-NH2 3.35Å
981P82.1Confident78.5Confident108 Ų10861.2 Ų61.270%0.70134%0.339SS*.PPolyproline II helixtrans-57.1145.7170.726.6-34.3000109.5E983P981-E983 PolarHBondContact O-N 2.66Å
982R82.1Confident80.8Confident64 Ų6463.6 Ų63.624%0.24235%0.349CS..PPolyproline II helixtrans-59.4132.5173.3-171.7-175.1172.3-82.921.3108.4T984 L1277 T1278 G1280 R1281R982-T984 PolarHBondContact O-N 2.89Å; R982-L1277 PolarHBondContact NH2-O 3.32Å; R982-T1278 PolarHBondContact NE-O 3.25Å; R982-G1280 PolarHBondContact NE-O 2.8Å; R982-R1281 HydrophobicContact CB-CG 4.47Å; R982-R1281 HydrophobicContact CG-CG 3.9Å
983E76.4Confident82.8Confident129 Ų12966.1 Ų66.160%0.60335%0.35SS*.PPolyproline II helixtrans-51.7131.5171.3-64.5177.7157.500110.2P981P981-E983 PolarHBondContact O-N 2.66Å
984T74.8Confident84.1Confident130 Ų13066.6 Ų66.680%0.79835%0.351SS*.PPolyproline II helixtrans-72.2125.1169.640.70000108.2R982R982-T984 PolarHBondContact O-N 2.89Å
985P74.6Confident84.9Confident62 Ų6265.8 Ų65.840%0.40335%0.346SS..PPolyproline II helixtrans-66.5150.8173.231.2-32.6000109.3G1172P985-G1172 WeakPolarHBondContact CB-O 3.48Å
986L82.4Confident85.2Confident60 Ų6067.8 Ų67.831%0.31436%0.364SS..PPolyproline II helixtrans-55.1141.1167-6496.9000109.5E990 A991 M994 N1173L986-E990 HydrophobicContact CB-CB 4.19Å; L986-E990 HydrophobicContact CD2-CB 4.06Å; L986-A991 HydrophobicContact CB-CB 4.28Å; L986-M994 HydrophobicContact CD1-CE 4.26Å; L986-M994 HydrophobicContact CD2-CE 3.63Å; L986-M994 HydrophobicContact CD2-SD 4.07Å; L986-N1173 HydrophobicContact CB-CB 4.26Å; L986-N1173 HydrophobicContact CD1-CB 4.43Å; L986-N1173 WeakPolarHBondContact CD1-ND2 3.27Å
987T86.1Confident85.6Confident74 Ų7467.6 Ų67.645%0.45437%0.367SS..PPolyproline II helixtrans-62.7163.3170.262.20000110.9E989 E990 A991T987-E989 PolarHBondContact O-N 3.26Å; T987-E990 VanDerWaalsContact CB-OE2 3.29Å; T987-E990 WeakPolarHBondContact CB-OE2 3.42Å; T987-E990 VanDerWaalsContact CG2-OE2 3.32Å; T987-E990 WeakPolarHBondContact CG2-OE2 3.34Å; T987-E990 PolarHBondContact N-OE2 3.41Å; T987-E990 PolarHBondContact O-N 3.32Å; T987-E990 VanDerWaalsContact OG1-CD 3.24Å; T987-E990 VanDerWaalsContact OG1-CG 3.28Å; T987-E990 WeakPolarHBondContact OG1-CG 3.43Å; T987-E990 PolarHBondContact OG1-N 3.05Å; T987-E990 PolarHBondContact OG1-OE2 3Å; T987-A991 WeakPolarHBondContact O-CB 3.47Å; T987-A991 PolarHBondContact O-N 2.83Å
988N86.7Confident85.8Confident74 Ų7469 Ų6940%0.39637%0.368SS..Hα-helixtrans-58.9-34.4176.5-7323.6000111.9L992 L1174 E1228N988-L992 WeakPolarHBondContact O-CB 3.41Å; N988-L992 WeakPolarHBondContact O-CD1 3.33Å; N988-L992 VanDerWaalsContact O-CG 3.22Å; N988-L992 WeakPolarHBondContact O-CG 3.37Å; N988-L992 PolarHBondContact O-N 2.9Å; N988-L992 VanDerWaalsContact O-N 3.07Å; N988-L1174 HydrophobicContact CB-CD1 3.67Å; N988-L1174 HydrophobicContact CB-CG 4.28Å; N988-E1228 PolarHBondContact ND2-OE1 3.19Å
989E87.6Confident85.9Confident163 Ų16369.5 Ų69.576%0.76237%0.371SS*.Hα-helixtrans-69.7-52.8179.7-66.8173-170.400111T987 A991 L992 Q993T987-E989 PolarHBondContact O-N 3.26Å; E989-A991 VanDerWaalsContact C-N 3.29Å; E989-A991 PolarHBondContact O-N 3.44Å; E989-L992 PolarHBondContact O-N 3.18Å; E989-L992 VanDerWaalsContact O-N 3.15Å; E989-Q993 PolarHBondContact O-N 3.02Å
990E89.5Confident85.9Confident98 Ų9874.4 Ų74.446%0.45840%0.397SS..Hα-helixtrans-60-37.9175.6-64.9159.713600112L986 T987 L992 Q993 M994L986-E990 HydrophobicContact CB-CB 4.19Å; L986-E990 HydrophobicContact CD2-CB 4.06Å; T987-E990 VanDerWaalsContact CB-OE2 3.29Å; T987-E990 WeakPolarHBondContact CB-OE2 3.42Å; T987-E990 VanDerWaalsContact CG2-OE2 3.32Å; T987-E990 WeakPolarHBondContact CG2-OE2 3.34Å; T987-E990 PolarHBondContact N-OE2 3.41Å; T987-E990 PolarHBondContact O-N 3.32Å; T987-E990 VanDerWaalsContact OG1-CD 3.24Å; T987-E990 VanDerWaalsContact OG1-CG 3.28Å; T987-E990 WeakPolarHBondContact OG1-CG 3.43Å; T987-E990 PolarHBondContact OG1-N 3.05Å; T987-E990 PolarHBondContact OG1-OE2 3Å; E990-L992 VanDerWaalsContact C-N 3.34Å; E990-L992 PolarHBondContact O-N 2.9Å; E990-Q993 PolarHBondContact O-N 2.94Å; E990-M994 WeakPolarHBondContact O-CB 3.48Å; E990-M994 PolarHBondContact O-N 2.67Å
991A89.6Confident86.1Confident0 Ų076.2 Ų76.20%040%0.399CS..Hα-helixtrans-72.3-23.8178.800000113.6L986 T987 E989 M995 N1173 L1174 I1175L986-A991 HydrophobicContact CB-CB 4.28Å; T987-A991 WeakPolarHBondContact O-CB 3.47Å; T987-A991 PolarHBondContact O-N 2.83Å; E989-A991 VanDerWaalsContact C-N 3.29Å; E989-A991 PolarHBondContact O-N 3.44Å; A991-M995 WeakPolarHBondContact O-CB 3.43Å; A991-N1173 HydrophobicContact CB-CB 4.24Å; A991-L1174 HydrophobicContact CB-CB 4.15Å; A991-I1175 HydrophobicContact CB-CD1 4.43Å; A991-I1175 HydrophobicContact CB-CG1 4.36Å; A991-I1175 WeakPolarHBondContact O-CD1 3.48Å; A991-I1175 WeakPolarHBondContact O-CG1 3.4Å
992L89.6Confident86.4Confident85 Ų8571.1 Ų71.145%0.44537%0.366SS..Hα-helixtrans-83-39.7170.9-73.8168.1000111.1N988 E989 E990 M995 A996 L1174N988-L992 WeakPolarHBondContact O-CB 3.41Å; N988-L992 WeakPolarHBondContact O-CD1 3.33Å; N988-L992 VanDerWaalsContact O-CG 3.22Å; N988-L992 WeakPolarHBondContact O-CG 3.37Å; N988-L992 PolarHBondContact O-N 2.9Å; N988-L992 VanDerWaalsContact O-N 3.07Å; E989-L992 PolarHBondContact O-N 3.18Å; E989-L992 VanDerWaalsContact O-N 3.15Å; E990-L992 VanDerWaalsContact C-N 3.34Å; E990-L992 PolarHBondContact O-N 2.9Å; L992-M995 WeakPolarHBondContact O-CB 3.2Å; L992-M995 PolarHBondContact O-N 2.84Å; L992-A996 PolarHBondContact O-N 3.03Å; L992-L1174 HydrophobicContact CD1-CD1 4.34Å; L992-L1174 HydrophobicContact CD2-CD1 4.46Å; L992-L1174 HydrophobicContact CG-CD1 4.13Å
993Q91.3Very high86.6Confident117 Ų11770.7 Ų70.755%0.54737%0.368SS..Hα-helixtrans-60.7-52.4175.5178.6176.3-17.600111.6E989 E990 M995 A996 E997E989-Q993 PolarHBondContact O-N 3.02Å; E990-Q993 PolarHBondContact O-N 2.94Å; Q993-M995 PolarHBondContact O-N 2.71Å; Q993-A996 WeakPolarHBondContact O-CA 3.49Å; Q993-A996 WeakPolarHBondContact O-CB 3.31Å; Q993-A996 PolarHBondContact O-N 3.49Å; Q993-E997 HydrophobicContact CG-CG 4.35Å; Q993-E997 VanDerWaalsContact CG-OE1 3.31Å; Q993-E997 WeakPolarHBondContact CG-OE1 3.08Å; Q993-E997 PolarHBondContact NE2-OE1 2.84Å; Q993-E997 WeakPolarHBondContact O-CG 3.27Å; Q993-E997 PolarHBondContact O-N 3.49Å
994M90.9Very high87Confident40 Ų4068.5 Ų68.520%0.19736%0.357CS..Hα-helixtrans-63.8-24178.3-169174.265.800112.6L986 E990 W998 I1175L986-M994 HydrophobicContact CD1-CE 4.26Å; L986-M994 HydrophobicContact CD2-CE 3.63Å; L986-M994 HydrophobicContact CD2-SD 4.07Å; E990-M994 WeakPolarHBondContact O-CB 3.48Å; E990-M994 PolarHBondContact O-N 2.67Å; M994-W998 HydrophobicContact CE-CH2 3.49Å; M994-W998 VanDerWaalsContact CE-CH2 3.49Å; M994-W998 HydrophobicContact CE-CZ2 4.26Å; M994-W998 HydrophobicContact CE-CZ3 3.83Å; M994-W998 HydrophobicContact CG-CD2 4.1Å; M994-W998 HydrophobicContact CG-CE3 4.12Å; M994-W998 HydrophobicContact CG-CH2 3.73Å; M994-W998 HydrophobicContact CG-CZ2 3.7Å; M994-W998 HydrophobicContact CG-CZ3 3.95Å; M994-W998 PolarHBondContact O-N 3.16Å; M994-W998 HydrophobicContact SD-CH2 3.49Å; M994-W998 WeakPolarHBondContact SD-CH2 3.19Å; M994-W998 HydrophobicContact SD-CZ2 3.62Å; M994-W998 HydrophobicContact SD-CZ3 4.18Å; M994-I1175 HydrophobicContact CE-CD1 3.33Å
995M91.7Very high87.3Confident14 Ų1465.7 Ų65.77%0.06934%0.341CS..Hα-helixtrans-75.6-29.8171.7-177-178.4-59.600112.5A991 L992 Q993 N999 A1138 R1142 I1175A991-M995 WeakPolarHBondContact O-CB 3.43Å; L992-M995 WeakPolarHBondContact O-CB 3.2Å; L992-M995 PolarHBondContact O-N 2.84Å; Q993-M995 PolarHBondContact O-N 2.71Å; M995-N999 WeakPolarHBondContact O-CB 3.21Å; M995-N999 PolarHBondContact O-ND2 2.56Å; M995-A1138 HydrophobicContact CB-CB 4.37Å; M995-A1138 HydrophobicContact CG-CB 3.97Å; M995-R1142 HydrophobicContact CE-CG 4.23Å; M995-I1175 HydrophobicContact CB-CG1 4.41Å; M995-I1175 HydrophobicContact CE-CB 4.16Å; M995-I1175 HydrophobicContact CE-CG1 3.63Å; M995-I1175 HydrophobicContact CE-CG2 4.46Å
996A89.1Confident87.5Confident47 Ų4763.7 Ų63.739%0.38833%0.328SS..Hα-helixtrans-73.2-51.5170.700000110.5L992 Q993 W998 N999 D1000L992-A996 PolarHBondContact O-N 3.03Å; Q993-A996 WeakPolarHBondContact O-CA 3.49Å; Q993-A996 WeakPolarHBondContact O-CB 3.31Å; Q993-A996 PolarHBondContact O-N 3.49Å; A996-W998 PolarHBondContact O-N 2.76Å; A996-N999 CarbonylContact O-C 3.57Å; A996-N999 WeakPolarHBondContact O-CA 3.44Å; A996-N999 WeakPolarHBondContact O-CB 3.3Å; A996-N999 PolarHBondContact O-N 3.12Å; A996-D1000 PolarHBondContact O-N 2.89Å
997E90Very high87.2Confident93 Ų9368.8 Ų68.844%0.43535%0.351SS..Hα-helixtrans-54.1-46.6-176.8-69.2167.9168.800112.8Q993 N999 D1000 E1001Q993-E997 HydrophobicContact CG-CG 4.35Å; Q993-E997 VanDerWaalsContact CG-OE1 3.31Å; Q993-E997 WeakPolarHBondContact CG-OE1 3.08Å; Q993-E997 PolarHBondContact NE2-OE1 2.84Å; Q993-E997 WeakPolarHBondContact O-CG 3.27Å; Q993-E997 PolarHBondContact O-N 3.49Å; E997-N999 VanDerWaalsContact C-N 3.29Å; E997-N999 PolarHBondContact O-N 3.48Å; E997-D1000 PolarHBondContact O-N 3.46Å; E997-E1001 PolarHBondContact O-N 2.94Å
998W88.7Confident86.2Confident51 Ų5173.4 Ų73.419%0.19337%0.367CS..Hα-helixtrans-72.1-17.4175.7-69.3-27.3000115M994 A996 T1134 M1135 A1138 H1139 I1175M994-W998 HydrophobicContact CE-CH2 3.49Å; M994-W998 VanDerWaalsContact CE-CH2 3.49Å; M994-W998 HydrophobicContact CE-CZ2 4.26Å; M994-W998 HydrophobicContact CE-CZ3 3.83Å; M994-W998 HydrophobicContact CG-CD2 4.1Å; M994-W998 HydrophobicContact CG-CE3 4.12Å; M994-W998 HydrophobicContact CG-CH2 3.73Å; M994-W998 HydrophobicContact CG-CZ2 3.7Å; M994-W998 HydrophobicContact CG-CZ3 3.95Å; M994-W998 PolarHBondContact O-N 3.16Å; M994-W998 HydrophobicContact SD-CH2 3.49Å; M994-W998 WeakPolarHBondContact SD-CH2 3.19Å; M994-W998 HydrophobicContact SD-CZ2 3.62Å; M994-W998 HydrophobicContact SD-CZ3 4.18Å; A996-W998 PolarHBondContact O-N 2.76Å; W998-T1134 WeakPolarHBondContact CH2-OG1 3.37Å; W998-M1135 HydrophobicContact CB-CE 4.42Å; W998-M1135 HydrophobicContact CB-CG 4.2Å; W998-M1135 HydrophobicContact CD2-CB 4.37Å; W998-M1135 HydrophobicContact CD2-CG 4.18Å; W998-M1135 HydrophobicContact CE3-CB 4.28Å; W998-M1135 HydrophobicContact CE3-CG 4.44Å; W998-M1135 HydrophobicContact CG-CE 4.39Å; W998-M1135 HydrophobicContact CG-CG 4.1Å; W998-A1138 HydrophobicContact CE3-CB 3.82Å; W998-A1138 HydrophobicContact CZ3-CB 4.47Å; W998-H1139 PolarHBondContact O-CE1 3.01Å; W998-I1175 HydrophobicContact CZ3-CD1 4.19Å
999N89.3Confident85.3Confident11 Ų1173.2 Ų73.26%0.05937%0.366CS..Hα-helixtrans-85.9-30.8173.4-82.5-43.8000111.2M995 A996 E997 E1001 L1002 P1005 P1006 A1138 H1139M995-N999 WeakPolarHBondContact O-CB 3.21Å; M995-N999 PolarHBondContact O-ND2 2.56Å; A996-N999 CarbonylContact O-C 3.57Å; A996-N999 WeakPolarHBondContact O-CA 3.44Å; A996-N999 WeakPolarHBondContact O-CB 3.3Å; A996-N999 PolarHBondContact O-N 3.12Å; E997-N999 VanDerWaalsContact C-N 3.29Å; E997-N999 PolarHBondContact O-N 3.48Å; N999-E1001 VanDerWaalsContact C-N 3.27Å; N999-E1001 PolarHBondContact O-N 2.91Å; N999-L1002 WeakPolarHBondContact O-CB 3.32Å; N999-L1002 PolarHBondContact O-N 2.95Å; N999-P1005 WeakPolarHBondContact O-CB 3.29Å; N999-P1006 HydrophobicContact CB-CG 4.33Å; N999-P1006 WeakPolarHBondContact OD1-CG 3.25Å; N999-A1138 PolarHBondContact ND2-O 3.43Å; N999-H1139 PolarHBondContact OD1-ND1 2.71Å
1000D87.3Confident84.3Confident105 Ų10566.1 Ų66.156%0.56133%0.333SS*.Hα-helixtrans-68.8-21.8172.1-65.8-27.4000112.7A996 E997 L1002A996-D1000 PolarHBondContact O-N 2.89Å; E997-D1000 PolarHBondContact O-N 3.46Å; D1000-L1002 PolarHBondContact O-N 3.18Å
1001E87.7Confident83.2Confident75 Ų7566 Ų6635%0.3534%0.339SS..THydrogen-bonded Turntrans-66-19.5169.5-74.3-177.2-144.600113.7E997 N999 Y1050 W1051 M1135E997-E1001 PolarHBondContact O-N 2.94Å; N999-E1001 VanDerWaalsContact C-N 3.27Å; N999-E1001 PolarHBondContact O-N 2.91Å; E1001-Y1050 HydrophobicContact CB-CD1 3.94Å; E1001-Y1050 VanDerWaalsContact O-CA 3.22Å; E1001-Y1050 WeakPolarHBondContact O-CA 3.15Å; E1001-Y1050 WeakPolarHBondContact O-CB 3.35Å; E1001-W1051 PolarHBondContact O-N 3.03Å; E1001-W1051 VanDerWaalsContact O-N 3.15Å; E1001-M1135 VanDerWaalsContact OE2-CE 3.22Å; E1001-M1135 WeakPolarHBondContact OE2-CE 3.47Å
1002L88.3Confident82.5Confident1 Ų171.2 Ų71.21%0.00536%0.363CS..BIsolated β-bridgetrans-73.1151.4178.3-66.7167.3000111N999 D1000 E1004 P1006 A1016 A1048 R1049 Y1050 W1051N999-L1002 WeakPolarHBondContact O-CB 3.32Å; N999-L1002 PolarHBondContact O-N 2.95Å; D1000-L1002 PolarHBondContact O-N 3.18Å; L1002-E1004 PolarHBondContact O-N 2.93Å; L1002-P1006 HydrophobicContact CD1-CG 4.46Å; L1002-A1016 HydrophobicContact CB-CB 4.4Å; L1002-A1048 HydrophobicContact CD2-CB 4.29Å; L1002-R1049 WeakPolarHBondContact CA-O 3.4Å; L1002-R1049 VanDerWaalsContact CD2-O 3.31Å; L1002-R1049 WeakPolarHBondContact CD2-O 3.47Å; L1002-Y1050 HydrophobicContact CD2-CD1 3.66Å; L1002-Y1050 HydrophobicContact CD2-CE1 3.47Å; L1002-Y1050 VanDerWaalsContact CD2-CE1 3.47Å; L1002-Y1050 HydrophobicContact CD2-CG 4.29Å; L1002-Y1050 HydrophobicContact CG-CD1 4.19Å; L1002-Y1050 HydrophobicContact CG-CE1 4.1Å; L1002-W1051 PolarHBondContact O-NE1 3.33Å
1003I86.3Confident81.9Confident55 Ų5568.5 Ų68.528%0.28235%0.351SS..SBendtrans-59.7-32.1173.9-59.7172.3000111.5A1016 R1049 W1051 T1077I1003-A1016 HydrophobicContact CB-CB 4.38Å; I1003-R1049 HydrophobicContact CD1-CB 3.62Å; I1003-R1049 HydrophobicContact CG1-CB 4.24Å; I1003-R1049 PolarHBondContact N-O 3.1Å; I1003-W1051 HydrophobicContact CB-CZ2 4.32Å; I1003-W1051 HydrophobicContact CG1-CD2 4.44Å; I1003-W1051 HydrophobicContact CG2-CH2 4.21Å; I1003-W1051 HydrophobicContact CG2-CZ2 3.91Å; I1003-T1077 HydrophobicContact CD1-CG2 3.42Å; I1003-T1077 VanDerWaalsContact CD1-CG2 3.42Å; I1003-T1077 HydrophobicContact CG1-CG2 3.99Å
1004E85.3Confident81.5Confident83 Ų8364.5 Ų64.539%0.38834%0.336SS..SBendtrans-139.598.1-179.1-179-178.8-145.200107.3L1002 S1014 S1015 A1016L1002-E1004 PolarHBondContact O-N 2.93Å; E1004-S1014 VanDerWaalsContact OE2-CB 3.31Å; E1004-S1014 WeakPolarHBondContact OE2-CB 3.46Å; E1004-S1015 WeakPolarHBondContact OE2-CA 3.43Å; E1004-S1015 VanDerWaalsContact OE2-CB 3.22Å; E1004-S1015 WeakPolarHBondContact OE2-CB 3.27Å; E1004-S1015 PolarHBondContact OE2-N 3.28Å; E1004-S1015 PolarHBondContact OE2-OG 3.18Å; E1004-A1016 HydrophobicContact CB-CB 3.76Å; E1004-A1016 PolarHBondContact OE2-N 3.12Å
1005P81.9Confident81Confident71 Ų7165.5 Ų65.546%0.46135%0.348SS..PPolyproline II helixtrans-64.5138.8-178.724.1-33.1000110.9N999N999-P1005 WeakPolarHBondContact O-CB 3.29Å
1006P78.4Confident80.8Confident20 Ų2064.9 Ų64.913%0.1335%0.345CS..PPolyproline II helixtrans-71.6133.7-173.926.7-35.2000113.4N999 L1002 I1010 Q1141N999-P1006 HydrophobicContact CB-CG 4.33Å; N999-P1006 WeakPolarHBondContact OD1-CG 3.25Å; L1002-P1006 HydrophobicContact CD1-CG 4.46Å; P1006-I1010 HydrophobicContact CB-CD1 3.64Å; P1006-I1010 HydrophobicContact CB-CG1 3.95Å; P1006-I1010 HydrophobicContact CG-CD1 4.13Å; P1006-Q1141 PolarHBondContact O-NE2 3.13Å
1007E76Confident80.9Confident167 Ų16762.8 Ų62.878%0.7833%0.327SS*.PPolyproline II helixtrans-56.8153.7177.7-63-169.8153.900113.8N1009 I1010 Q1141E1007-N1009 PolarHBondContact O-N 3.48Å; E1007-I1010 WeakPolarHBondContact O-CG1 3.28Å; E1007-I1010 PolarHBondContact O-N 3.18Å; E1007-Q1141 PolarHBondContact O-NE2 3.37Å; E1007-Q1141 PolarHBondContact O-OE1 3.25Å
1008E64.8Low81.1Confident172 Ų17260.9 Ų60.980%0.80432%0.318SS*.THydrogen-bonded Turntrans-60119.9171.2-68-167.6154.400111
1009N67.2Low81.4Confident70 Ų7058.4 Ų58.437%0.37431%0.309SS..THydrogen-bonded Turntrans80.635.7-176.7-49.2-89.6000116E1007 V1011 R1235E1007-N1009 PolarHBondContact O-N 3.48Å; N1009-V1011 WeakPolarHBondContact O-CG2 3.44Å; N1009-V1011 PolarHBondContact O-N 3.47Å; N1009-R1235 PolarHBondContact OD1-NH1 3Å
1010I66.5Low81.6Confident13 Ų1359.3 Ų59.37%0.06731%0.312CS..  trans-22.2104.1174.7-33.6176.6000115.1P1006 E1007 E1012 F1035 H1139 Q1141 K1239P1006-I1010 HydrophobicContact CB-CD1 3.64Å; P1006-I1010 HydrophobicContact CB-CG1 3.95Å; P1006-I1010 HydrophobicContact CG-CD1 4.13Å; E1007-I1010 WeakPolarHBondContact O-CG1 3.28Å; E1007-I1010 PolarHBondContact O-N 3.18Å; I1010-E1012 WeakPolarHBondContact CG2-O 3.47Å; I1010-F1035 HydrophobicContact CB-CE1 4.48Å; I1010-F1035 HydrophobicContact CG2-CD1 3.92Å; I1010-F1035 HydrophobicContact CG2-CE1 3.57Å; I1010-F1035 HydrophobicContact CG2-CZ 4.49Å; I1010-H1139 WeakPolarHBondContact CD1-O 3.3Å; I1010-Q1141 HydrophobicContact CD1-CB 4.39Å; I1010-Q1141 HydrophobicContact CD1-CG 3.95Å; I1010-Q1141 HydrophobicContact CG1-CG 4.38Å; I1010-K1239 PolarHBondContact O-NZ 2.96Å
1011V66.7Low81.9Confident96 Ų9654.5 Ų54.558%0.58229%0.286SS*.  trans-98.6-22.3179.3-166.40000111.9N1009 N1032N1009-V1011 WeakPolarHBondContact O-CG2 3.44Å; N1009-V1011 PolarHBondContact O-N 3.47Å; V1011-N1032 CarbonylContact O-C 3.56Å
1012E75.9Confident82.1Confident109 Ų10951.2 Ų51.251%0.50927%0.271SS..SBendtrans-150.4172.8-171.759.8-172.3-162.200114I1010 N1032I1010-E1012 WeakPolarHBondContact CG2-O 3.47Å; E1012-N1032 HydrophobicContact CB-CB 3.7Å; E1012-N1032 WeakPolarHBondContact CB-ND2 3.48Å; E1012-N1032 PolarHBondContact OE2-ND2 2.8Å
1013S76.8Confident81.9Confident28 Ų2852.9 Ų52.920%0.19628%0.281CS..  trans-79.1135.6175.9-70.20000111.8L1017 Q1019 F1035S1013-L1017 CarbonylContact C-O 3.56Å; S1013-L1017 WeakPolarHBondContact CA-O 3.38Å; S1013-L1017 WeakPolarHBondContact CB-O 3.39Å; S1013-Q1019 PolarHBondContact OG-N 2.93Å; S1013-F1035 WeakPolarHBondContact OG-CD2 3.31Å; S1013-F1035 WeakPolarHBondContact OG-CE2 3.29Å
1014S81.9Confident81.4Confident33 Ų3356.3 Ų56.323%0.23130%0.3CS..  trans-94-174.1176.875.10000112.2E1004 A1016 L1017 Q1018E1004-S1014 VanDerWaalsContact OE2-CB 3.31Å; E1004-S1014 WeakPolarHBondContact OE2-CB 3.46Å; S1014-A1016 VanDerWaalsContact C-N 3.32Å; S1014-A1016 PolarHBondContact OG-N 3.13Å; S1014-L1017 PolarHBondContact N-O 3.41Å; S1014-L1017 PolarHBondContact OG-N 3.39Å; S1014-Q1018 VanDerWaalsContact O-CG 3.24Å; S1014-Q1018 WeakPolarHBondContact O-CG 3.44Å
1015S81Confident80.9Confident62 Ų6254 Ų5443%0.43430%0.299SS..SBendtrans-73.4-26.5171.779.50000112.5E1004 R1049E1004-S1015 WeakPolarHBondContact OE2-CA 3.43Å; E1004-S1015 VanDerWaalsContact OE2-CB 3.22Å; E1004-S1015 WeakPolarHBondContact OE2-CB 3.27Å; E1004-S1015 PolarHBondContact OE2-N 3.28Å; E1004-S1015 PolarHBondContact OE2-OG 3.18Å; S1015-R1049 PolarHBondContact O-NH1 3.36Å
1016A88.1Confident80.9Confident1 Ų157.6 Ų57.61%0.00831%0.307CS..SBendtrans-90-25.2176.200000114.3L1002 I1003 E1004 S1014 A1048 R1049L1002-A1016 HydrophobicContact CB-CB 4.4Å; I1003-A1016 HydrophobicContact CB-CB 4.38Å; E1004-A1016 HydrophobicContact CB-CB 3.76Å; E1004-A1016 PolarHBondContact OE2-N 3.12Å; S1014-A1016 VanDerWaalsContact C-N 3.32Å; S1014-A1016 PolarHBondContact OG-N 3.13Å; A1016-A1048 CarbonylContact O-C 3.57Å; A1016-A1048 VanDerWaalsContact O-CA 3.25Å; A1016-A1048 WeakPolarHBondContact O-CA 3.41Å; A1016-R1049 HydrophobicContact CB-CB 4.45Å; A1016-R1049 PolarHBondContact O-N 3.09Å
1017L91.5Very high81.3Confident3 Ų360.3 Ų60.32%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-134.1107.3-173.8-169.168.6000112.8S1013 S1014 F1035 L1046 I1047 A1048 H1139S1013-L1017 CarbonylContact C-O 3.56Å; S1013-L1017 WeakPolarHBondContact CA-O 3.38Å; S1013-L1017 WeakPolarHBondContact CB-O 3.39Å; S1014-L1017 PolarHBondContact N-O 3.41Å; S1014-L1017 PolarHBondContact OG-N 3.39Å; L1017-F1035 HydrophobicContact CD2-CZ 3.96Å; L1017-F1035 HydrophobicContact CG-CZ 4.19Å; L1017-L1046 HydrophobicContact CD1-CD1 4Å; L1017-L1046 HydrophobicContact CD1-CD2 4.05Å; L1017-L1046 HydrophobicContact CD1-CG 4.03Å; L1017-L1046 HydrophobicContact CG-CD1 4.28Å; L1017-I1047 WeakPolarHBondContact CA-O 3.35Å; L1017-A1048 HydrophobicContact CD1-CB 4.02Å; L1017-H1139 HydrophobicContact CD1-CB 4.33Å; L1017-H1139 HydrophobicContact CD2-CB 3.97Å
1018Q92.6Very high82Confident52 Ų5256.6 Ų56.624%0.24330%0.299CS..EExtended strand (participates in β ladder)trans-127.6128-170.7-60.6-173.7-23.600113.9S1014 F1020 L1046 I1047S1014-Q1018 VanDerWaalsContact O-CG 3.24Å; S1014-Q1018 WeakPolarHBondContact O-CG 3.44Å; Q1018-F1020 HydrophobicContact CB-CD2 4.5Å; Q1018-F1020 HydrophobicContact CB-CE2 3.75Å; Q1018-L1046 CarbonylContact O-C 3.44Å; Q1018-L1046 WeakPolarHBondContact O-CA 3.29Å; Q1018-I1047 HydrophobicContact CB-CB 4.42Å; Q1018-I1047 PolarHBondContact N-O 2.66Å; Q1018-I1047 PolarHBondContact O-N 3.32Å
1019Q95Very high83.3Confident0 Ų052.6 Ų52.60%028%0.283CS..EExtended strand (participates in β ladder)trans-106.3126.3-179.4-170.5-174.7-14.700112.9S1013 L1029 V1030 F1035 F1038 Y1044 L1046S1013-Q1019 PolarHBondContact OG-N 2.93Å; Q1019-L1029 WeakPolarHBondContact O-CD1 3.09Å; Q1019-V1030 HydrophobicContact CG-CB 4.34Å; Q1019-V1030 HydrophobicContact CG-CG2 3.95Å; Q1019-V1030 PolarHBondContact O-N 3.45Å; Q1019-F1035 HydrophobicContact CB-CD2 3.72Å; Q1019-F1035 HydrophobicContact CB-CE2 3.7Å; Q1019-F1038 HydrophobicContact CG-CZ 4.4Å; Q1019-Y1044 HydrophobicContact CG-CD1 4.28Å; Q1019-L1046 HydrophobicContact CB-CD1 4.1Å
1020F94.6Very high84.5Confident29 Ų2949.4 Ų49.413%0.12727%0.266CS..EExtended strand (participates in β ladder)trans-121.1157.1176.1-60.7-101.1000111Q1018 W1027 I1028 L1029 Y1044 I1045 I1047Q1018-F1020 HydrophobicContact CB-CD2 4.5Å; Q1018-F1020 HydrophobicContact CB-CE2 3.75Å; F1020-W1027 HydrophobicContact CB-CB 4.48Å; F1020-W1027 AromaticContact CD1-CD1 3.86Å; F1020-I1028 CarbonylContact C-O 3.56Å; F1020-I1028 WeakPolarHBondContact CA-O 3.35Å; F1020-I1028 WeakPolarHBondContact CB-O 3.2Å; F1020-L1029 HydrophobicContact CD1-CB 4.13Å; F1020-L1029 HydrophobicContact CD1-CD1 4.12Å; F1020-L1029 HydrophobicContact CD2-CD1 4.41Å; F1020-L1029 HydrophobicContact CE1-CB 4.06Å; F1020-L1029 HydrophobicContact CE1-CD1 3.75Å; F1020-L1029 HydrophobicContact CE2-CD1 4.07Å; F1020-L1029 HydrophobicContact CG-CD1 4.42Å; F1020-L1029 HydrophobicContact CZ-CD1 3.72Å; F1020-Y1044 CarbonylContact O-C 3.52Å; F1020-Y1044 WeakPolarHBondContact O-CA 3.43Å; F1020-Y1044 WeakPolarHBondContact O-CB 3.37Å; F1020-Y1044 WeakPolarHBondContact O-CD1 3.48Å; F1020-I1045 HydrophobicContact CB-CB 4.32Å; F1020-I1045 PolarHBondContact N-O 3.34Å; F1020-I1045 PolarHBondContact O-N 2.87Å; F1020-I1047 HydrophobicContact CD2-CD1 4.27Å; F1020-I1047 HydrophobicContact CD2-CG1 4.39Å; F1020-I1047 HydrophobicContact CE2-CD1 3.62Å; F1020-I1047 HydrophobicContact CE2-CG1 4.11Å; F1020-I1047 HydrophobicContact CZ-CD1 4.34Å
1021I93.6Very high85.6Confident4 Ų452.7 Ų52.72%0.02128%0.281CS..EExtended strand (participates in β ladder)trans-117.5141.5172.5-170.6174000110.7V1023 W1027 I1028 V1030 D1042 Y1044 Y1151I1021-V1023 HydrophobicContact CD1-CG2 4.33Å; I1021-V1023 HydrophobicContact CG1-CG2 4.18Å; I1021-V1023 HydrophobicContact CG2-CG2 4.19Å; I1021-W1027 WeakPolarHBondContact O-CA 3.36Å; I1021-I1028 HydrophobicContact CG2-CB 4.36Å; I1021-I1028 PolarHBondContact N-O 3.22Å; I1021-I1028 PolarHBondContact O-N 2.85Å; I1021-V1030 HydrophobicContact CB-CG2 4.05Å; I1021-V1030 HydrophobicContact CG2-CG2 4.23Å; I1021-D1042 HydrophobicContact CD1-CB 4.04Å; I1021-D1042 HydrophobicContact CG1-CB 4.42Å; I1021-Y1044 HydrophobicContact CB-CD1 3.91Å; I1021-Y1044 HydrophobicContact CB-CE1 3.93Å; I1021-Y1044 HydrophobicContact CD1-CE1 3.97Å; I1021-Y1044 HydrophobicContact CD1-CE2 4.36Å; I1021-Y1044 HydrophobicContact CG1-CD1 4.15Å; I1021-Y1044 HydrophobicContact CG1-CE1 3.97Å; I1021-Y1044 HydrophobicContact CG1-CE2 4.44Å; I1021-Y1044 HydrophobicContact CG1-CG 4.49Å; I1021-Y1151 VanDerWaalsContact CD1-CB 3.46Å; I1021-Y1151 HydrophobicContact CD1-CD1 3.56Å; I1021-Y1151 HydrophobicContact CD1-CD2 4.45Å; I1021-Y1151 HydrophobicContact CD1-CE1 4.42Å; I1021-Y1151 HydrophobicContact CD1-CG 3.58Å
1022M90.8Very high86.6Confident6 Ų651.5 Ų51.53%0.0327%0.272CS..EExtended strand (participates in β ladder)trans-89.4115.6174.5-76.9-71.1-70.300110.6K1026 W1027 S1043 I1045 F1083 Q1096 V1101M1022-K1026 WeakPolarHBondContact CA-O 3.37Å; M1022-W1027 HydrophobicContact SD-CB 3.98Å; M1022-S1043 PolarHBondContact N-O 2.91Å; M1022-I1045 HydrophobicContact CG-CD1 3.93Å; M1022-I1045 HydrophobicContact CG-CG1 4.27Å; M1022-I1045 HydrophobicContact SD-CD1 3.79Å; M1022-F1083 HydrophobicContact CG-CE2 4.07Å; M1022-Q1096 HydrophobicContact CE-CB 4.33Å; M1022-V1101 HydrophobicContact CE-CG2 3.93Å; M1022-V1101 HydrophobicContact SD-CG2 4.28Å
1023V85.3Confident87.1Confident36 Ų3652.6 Ų52.622%0.21827%0.271CS..EExtended strand (participates in β ladder)trans-133.5124177.7-176.60000109.2I1021 G1025 K1026 I1028I1021-V1023 HydrophobicContact CD1-CG2 4.33Å; I1021-V1023 HydrophobicContact CG1-CG2 4.18Å; I1021-V1023 HydrophobicContact CG2-CG2 4.19Å; V1023-G1025 VanDerWaalsContact C-N 3.27Å; V1023-G1025 PolarHBondContact O-N 3.29Å; V1023-G1025 VanDerWaalsContact O-N 3.14Å; V1023-K1026 PolarHBondContact N-O 3.27Å; V1023-K1026 PolarHBondContact O-N 2.97Å; V1023-I1028 HydrophobicContact CB-CD1 4.37Å
1024D76.4Confident87.8Confident127 Ų12752 Ų5268%0.67927%0.265SS*.THydrogen-bonded Turntrans48.443.7171.9-51.6-21.4000114
1025G73.4Confident88.2Confident36 Ų3650.6 Ų50.637%0.37125%0.254SS..THydrogen-bonded Turntrans82.74.9179.400000115.9V1023V1023-G1025 VanDerWaalsContact C-N 3.27Å; V1023-G1025 PolarHBondContact O-N 3.29Å; V1023-G1025 VanDerWaalsContact O-N 3.14Å
1026K81.4Confident88.7Confident145 Ų14547.7 Ų47.763%0.6323%0.234SC*.EExtended strand (participates in β ladder)trans-119.5148.8178.2-61.1176.8-177.5175.80111M1022 V1023M1022-K1026 WeakPolarHBondContact CA-O 3.37Å; V1023-K1026 PolarHBondContact N-O 3.27Å; V1023-K1026 PolarHBondContact O-N 2.97Å
1027W87Confident89Confident78 Ų7847.9 Ų47.930%0.29524%0.235SC..EExtended strand (participates in β ladder)trans-94.5135.9164.562.898.4000110.2F1020 I1021 M1022 I1045 V1101 D1104F1020-W1027 HydrophobicContact CB-CB 4.48Å; F1020-W1027 AromaticContact CD1-CD1 3.86Å; I1021-W1027 WeakPolarHBondContact O-CA 3.36Å; M1022-W1027 HydrophobicContact SD-CB 3.98Å; W1027-I1045 HydrophobicContact CB-CD1 3.92Å; W1027-V1101 HydrophobicContact CD2-CG1 4.2Å; W1027-V1101 HydrophobicContact CE3-CB 4.18Å; W1027-V1101 HydrophobicContact CE3-CG1 3.53Å; W1027-V1101 HydrophobicContact CE3-CG2 3.72Å; W1027-V1101 HydrophobicContact CH2-CG1 4.05Å; W1027-V1101 HydrophobicContact CZ3-CB 3.94Å; W1027-V1101 HydrophobicContact CZ3-CG1 3.47Å; W1027-V1101 VanDerWaalsContact CZ3-CG1 3.47Å; W1027-V1101 HydrophobicContact CZ3-CG2 3.72Å; W1027-D1104 WeakPolarHBondContact CH2-OD2 3.32Å
1028I90.5Very high89.2Confident88 Ų8847.8 Ų47.845%0.45123%0.234SC..EExtended strand (participates in β ladder)trans-131.3136.4-177.4-53.4177.7000107.9F1020 I1021 V1023 V1030F1020-I1028 CarbonylContact C-O 3.56Å; F1020-I1028 WeakPolarHBondContact CA-O 3.35Å; F1020-I1028 WeakPolarHBondContact CB-O 3.2Å; I1021-I1028 HydrophobicContact CG2-CB 4.36Å; I1021-I1028 PolarHBondContact N-O 3.22Å; I1021-I1028 PolarHBondContact O-N 2.85Å; V1023-I1028 HydrophobicContact CB-CD1 4.37Å; I1028-V1030 PolarHBondContact O-N 3.27Å
1029L92.9Very high89.3Confident89 Ų8945.3 Ų45.347%0.46622%0.223SC..EExtended strand (participates in β ladder)trans-62135.9176.9-169.574.1000109.8Q1019 F1020Q1019-L1029 WeakPolarHBondContact O-CD1 3.09Å; F1020-L1029 HydrophobicContact CD1-CB 4.13Å; F1020-L1029 HydrophobicContact CD1-CD1 4.12Å; F1020-L1029 HydrophobicContact CD2-CD1 4.41Å; F1020-L1029 HydrophobicContact CE1-CB 4.06Å; F1020-L1029 HydrophobicContact CE1-CD1 3.75Å; F1020-L1029 HydrophobicContact CE2-CD1 4.07Å; F1020-L1029 HydrophobicContact CG-CD1 4.42Å; F1020-L1029 HydrophobicContact CZ-CD1 3.72Å
1030V93Very high89.2Confident3 Ų345.9 Ų45.92%0.01823%0.226CC..PPolyproline II helixtrans-74.1134.2175.5177.20000109Q1019 I1021 I1028 N1032 W1034 Y1044 Y1151Q1019-V1030 HydrophobicContact CG-CB 4.34Å; Q1019-V1030 HydrophobicContact CG-CG2 3.95Å; Q1019-V1030 PolarHBondContact O-N 3.45Å; I1021-V1030 HydrophobicContact CB-CG2 4.05Å; I1021-V1030 HydrophobicContact CG2-CG2 4.23Å; I1028-V1030 PolarHBondContact O-N 3.27Å; V1030-N1032 PolarHBondContact O-N 3.22Å; V1030-W1034 HydrophobicContact CG1-CB 3.71Å; V1030-Y1044 HydrophobicContact CG2-CD1 4.02Å; V1030-Y1044 HydrophobicContact CG2-CE1 3.93Å; V1030-Y1151 HydrophobicContact CG1-CE2 4.32Å
1031E89.4Confident89.1Confident81 Ų8147.2 Ų47.238%0.37923%0.232SC..PPolyproline II helixtrans-51.8129.6171.4-68.9166.1-14500110.8R1033 W1034 R1154E1031-R1033 HydrophobicContact CB-CG 4.5Å; E1031-R1033 PolarHBondContact O-N 3.41Å; E1031-W1034 WeakPolarHBondContact O-CA 3.28Å; E1031-W1034 PolarHBondContact O-N 2.91Å; E1031-W1034 VanDerWaalsContact OE2-CD1 3.27Å; E1031-W1034 PolarHBondContact OE2-NE1 3.46Å; E1031-R1154 IonicContact OE1-CZ 3.19Å; E1031-R1154 IonicContact OE1-NE 2.8Å; E1031-R1154 PolarHBondContact OE1-NE 2.83Å; E1031-R1154 IonicContact OE1-NH2 2.75Å; E1031-R1154 PolarHBondContact OE1-NH2 2.77Å
1032N87.7Confident89.1Confident71 Ų7147.4 Ų47.438%0.3823%0.233SC..G310 helixtrans-42.3-46.4-175.2-63.225.2000113.6V1011 E1012 V1030 W1034 F1035V1011-N1032 CarbonylContact O-C 3.56Å; E1012-N1032 HydrophobicContact CB-CB 3.7Å; E1012-N1032 WeakPolarHBondContact CB-ND2 3.48Å; E1012-N1032 PolarHBondContact OE2-ND2 2.8Å; V1030-N1032 PolarHBondContact O-N 3.22Å; N1032-W1034 PolarHBondContact O-N 2.88Å; N1032-F1035 WeakPolarHBondContact O-CB 3.08Å; N1032-F1035 PolarHBondContact O-N 2.76Å
1033R86.7Confident89.3Confident132 Ų13247.1 Ų47.150%0.49823%0.232SC..G310 helixtrans-58.7-22.4179.479.8-164.9-41.3-162.38.9115.5E1031 Q1037 W1243E1031-R1033 HydrophobicContact CB-CG 4.5Å; E1031-R1033 PolarHBondContact O-N 3.41Å; R1033-Q1037 PolarHBondContact O-NE2 2.86Å; R1033-W1243 VanDerWaalsContact NH2-CB 3.33Å
1034W90.5Very high89.8Confident16 Ų1645.4 Ų45.46%0.06122%0.222CC..G310 helixtrans-100.58.6176.4-63.899.1000112.5V1030 E1031 N1032 G1036 Q1037 F1039 H1147 Y1151 R1154 W1243V1030-W1034 HydrophobicContact CG1-CB 3.71Å; E1031-W1034 WeakPolarHBondContact O-CA 3.28Å; E1031-W1034 PolarHBondContact O-N 2.91Å; E1031-W1034 VanDerWaalsContact OE2-CD1 3.27Å; E1031-W1034 PolarHBondContact OE2-NE1 3.46Å; N1032-W1034 PolarHBondContact O-N 2.88Å; W1034-G1036 PolarHBondContact O-N 2.81Å; W1034-Q1037 HydrophobicContact CE3-CB 4Å; W1034-Q1037 HydrophobicContact CE3-CG 4.45Å; W1034-Q1037 WeakPolarHBondContact O-CA 3.37Å; W1034-Q1037 VanDerWaalsContact O-CB 3.31Å; W1034-Q1037 WeakPolarHBondContact O-CB 3.5Å; W1034-Q1037 PolarHBondContact O-N 2.9Å; W1034-F1039 AromaticContact CE3-CE2 3.95Å; W1034-F1039 HydrophobicContact CE3-CE2 3.95Å; W1034-F1039 HydrophobicContact CE3-CZ 4.4Å; W1034-F1039 HydrophobicContact CH2-CZ 4.38Å; W1034-F1039 AromaticContact CZ3-CE2 3.88Å; W1034-F1039 HydrophobicContact CZ3-CE2 3.88Å; W1034-F1039 AromaticContact CZ3-CZ 3.88Å; W1034-F1039 HydrophobicContact CZ3-CZ 3.88Å; W1034-H1147 AromaticContact CZ3-NE2 3.79Å; W1034-Y1151 HydrophobicContact CB-CE2 3.88Å; W1034-Y1151 HydrophobicContact CD2-CE2 4.23Å; W1034-Y1151 AromaticContact CG-CE2 3.81Å; W1034-Y1151 HydrophobicContact CG-CE2 3.81Å; W1034-R1154 HydrophobicContact CH2-CB 3.88Å; W1034-R1154 HydrophobicContact CH2-CG 4.44Å; W1034-R1154 HydrophobicContact CZ2-CB 3.84Å; W1034-R1154 HydrophobicContact CZ2-CG 3.87Å; W1034-R1154 HydrophobicContact CZ3-CB 4.48Å; W1034-W1243 HydrophobicContact CH2-CZ2 4.25Å; W1034-W1243 HydrophobicContact CZ2-CZ2 4.2Å
1035F91.7Very high90.7Very high4 Ų439.4 Ų39.42%0.01819%0.19CC..THydrogen-bonded Turntrans-61.4133.6172.1-172.9-93.1000111.1I1010 S1013 L1017 Q1019 N1032 Q1037 F1140I1010-F1035 HydrophobicContact CB-CE1 4.48Å; I1010-F1035 HydrophobicContact CG2-CD1 3.92Å; I1010-F1035 HydrophobicContact CG2-CE1 3.57Å; I1010-F1035 HydrophobicContact CG2-CZ 4.49Å; S1013-F1035 WeakPolarHBondContact OG-CD2 3.31Å; S1013-F1035 WeakPolarHBondContact OG-CE2 3.29Å; L1017-F1035 HydrophobicContact CD2-CZ 3.96Å; L1017-F1035 HydrophobicContact CG-CZ 4.19Å; Q1019-F1035 HydrophobicContact CB-CD2 3.72Å; Q1019-F1035 HydrophobicContact CB-CE2 3.7Å; N1032-F1035 WeakPolarHBondContact O-CB 3.08Å; N1032-F1035 PolarHBondContact O-N 2.76Å; F1035-Q1037 PolarHBondContact O-N 2.88Å; F1035-F1140 HydrophobicContact CE1-CD1 4.27Å; F1035-F1140 HydrophobicContact CE1-CE1 4.09Å; F1035-F1140 HydrophobicContact CZ-CE1 4.1Å
1036G91.2Very high91.7Very high1 Ų137.8 Ų37.81%0.0117%0.172CC..THydrogen-bonded Turntrans73.91-171.100000114.7W1034 I1145W1034-G1036 PolarHBondContact O-N 2.81Å; G1036-I1145 PolarHBondContact O-N 2.82Å
1037Q94Very high92.3Very high4 Ų431.3 Ų31.32%0.01915%0.145CC..EExtended strand (participates in β ladder)trans-107.1117.5178.2-49.6-16463.600110.5R1033 W1034 F1035 I1145 H1147R1033-Q1037 PolarHBondContact O-NE2 2.86Å; W1034-Q1037 HydrophobicContact CE3-CB 4Å; W1034-Q1037 HydrophobicContact CE3-CG 4.45Å; W1034-Q1037 WeakPolarHBondContact O-CA 3.37Å; W1034-Q1037 VanDerWaalsContact O-CB 3.31Å; W1034-Q1037 WeakPolarHBondContact O-CB 3.5Å; W1034-Q1037 PolarHBondContact O-N 2.9Å; F1035-Q1037 PolarHBondContact O-N 2.88Å; Q1037-I1145 HydrophobicContact CB-CB 4.49Å; Q1037-I1145 HydrophobicContact CG-CB 4.24Å; Q1037-I1145 HydrophobicContact CG-CD1 3.85Å; Q1037-H1147 PolarHBondContact OE1-NE2 3.46Å
1038F95.8Very high92.6Very high1 Ų127.6 Ų27.60%0.00413%0.131CC..EExtended strand (participates in β ladder)trans-115.7149-174.4-66.6-99.4000111Q1019 Y1044 W1084 F1140 F1144 I1145 I1146 H1147Q1019-F1038 HydrophobicContact CG-CZ 4.4Å; F1038-Y1044 HydrophobicContact CB-CE2 4.34Å; F1038-Y1044 HydrophobicContact CD1-CD1 4.06Å; F1038-Y1044 AromaticContact CD1-CD2 3.64Å; F1038-Y1044 HydrophobicContact CD1-CD2 3.64Å; F1038-Y1044 HydrophobicContact CD1-CE1 4.36Å; F1038-Y1044 AromaticContact CD1-CE2 4Å; F1038-Y1044 HydrophobicContact CD1-CE2 4Å; F1038-Y1044 AromaticContact CD1-CG 3.67Å; F1038-Y1044 HydrophobicContact CD1-CG 3.67Å; F1038-Y1044 HydrophobicContact CE1-CD1 4.14Å; F1038-Y1044 HydrophobicContact CE1-CD2 4.27Å; F1038-Y1044 AromaticContact CE1-CG 3.84Å; F1038-Y1044 HydrophobicContact CE1-CG 3.84Å; F1038-W1084 HydrophobicContact CB-CE3 4.48Å; F1038-W1084 HydrophobicContact CB-CH2 3.73Å; F1038-W1084 HydrophobicContact CB-CZ2 4.21Å; F1038-W1084 HydrophobicContact CB-CZ3 3.89Å; F1038-W1084 AromaticContact CD1-CD2 3.87Å; F1038-W1084 HydrophobicContact CD1-CD2 3.87Å; F1038-W1084 AromaticContact CD1-CE3 3.65Å; F1038-W1084 HydrophobicContact CD1-CE3 3.65Å; F1038-W1084 HydrophobicContact CD1-CG 4.42Å; F1038-W1084 HydrophobicContact CD1-CH2 4.36Å; F1038-W1084 AromaticContact CD1-CZ3 3.92Å; F1038-W1084 HydrophobicContact CD1-CZ3 3.92Å; F1038-W1084 HydrophobicContact CE1-CD2 4.29Å; F1038-W1084 HydrophobicContact CE1-CE3 4.37Å; F1038-W1084 HydrophobicContact CE1-CG 4.38Å; F1038-W1084 HydrophobicContact CG-CE3 4.43Å; F1038-W1084 HydrophobicContact CG-CH2 4.36Å; F1038-W1084 HydrophobicContact CG-CZ3 4.32Å; F1038-F1140 HydrophobicContact CE2-CE1 4.12Å; F1038-F1140 HydrophobicContact CE2-CZ 4.02Å; F1038-F1140 HydrophobicContact CZ-CE1 4.32Å; F1038-F1140 AromaticContact CZ-CZ 3.87Å; F1038-F1140 HydrophobicContact CZ-CZ 3.87Å; F1038-F1144 HydrophobicContact CD2-CD2 4.08Å; F1038-F1144 AromaticContact CD2-CE2 3.53Å; F1038-F1144 HydrophobicContact CD2-CE2 3.53Å; F1038-F1144 AromaticContact CD2-CZ 3.88Å; F1038-F1144 HydrophobicContact CD2-CZ 3.88Å; F1038-F1144 AromaticContact CE2-CD2 3.79Å; F1038-F1144 HydrophobicContact CE2-CD2 3.79Å; F1038-F1144 AromaticContact CE2-CE2 3.22Å; F1038-F1144 HydrophobicContact CE2-CE2 3.22Å; F1038-F1144 AromaticContact CE2-CZ 3.99Å; F1038-F1144 HydrophobicContact CE2-CZ 3.99Å; F1038-F1144 HydrophobicContact CG-CE2 4.34Å; F1038-F1144 HydrophobicContact CG-CZ 4.31Å; F1038-F1144 AromaticContact CZ-CE2 3.81Å; F1038-F1144 HydrophobicContact CZ-CE2 3.81Å; F1038-F1144 HydrophobicContact CZ-CZ 4.47Å; F1038-I1145 PolarHBondContact N-O 3.49Å; F1038-I1146 CarbonylContact O-C 3.55Å; F1038-I1146 WeakPolarHBondContact O-CA 3.45Å; F1038-H1147 PolarHBondContact O-N 3.33Å
1039F94.8Very high92.7Very high0 Ų027.4 Ų27.40%012%0.124CC..EExtended strand (participates in β ladder)trans-116.2128.7179.7-81.5-103.7000110.3W1034 Q1041 D1042 Y1044 H1147 G1149 H1150 Y1151 R1154W1034-F1039 AromaticContact CE3-CE2 3.95Å; W1034-F1039 HydrophobicContact CE3-CE2 3.95Å; W1034-F1039 HydrophobicContact CE3-CZ 4.4Å; W1034-F1039 HydrophobicContact CH2-CZ 4.38Å; W1034-F1039 AromaticContact CZ3-CE2 3.88Å; W1034-F1039 HydrophobicContact CZ3-CE2 3.88Å; W1034-F1039 AromaticContact CZ3-CZ 3.88Å; W1034-F1039 HydrophobicContact CZ3-CZ 3.88Å; F1039-Q1041 PolarHBondContact O-N 3.02Å; F1039-Q1041 VanDerWaalsContact O-N 3.15Å; F1039-D1042 PolarHBondContact O-N 3.43Å; F1039-D1042 VanDerWaalsContact O-N 3.17Å; F1039-Y1044 WeakPolarHBondContact CD2-OH 3.34Å; F1039-Y1044 PolarHBondContact N-OH 3.31Å; F1039-H1147 HydrophobicContact CD1-CB 3.73Å; F1039-H1147 HydrophobicContact CD2-CB 4.3Å; F1039-H1147 AromaticContact CD2-CD2 3.83Å; F1039-H1147 HydrophobicContact CE1-CB 3.71Å; F1039-H1147 HydrophobicContact CE2-CB 4.27Å; F1039-H1147 AromaticContact CE2-CD2 3.38Å; F1039-H1147 WeakPolarHBondContact CE2-CD2 3.43Å; F1039-H1147 HydrophobicContact CG-CB 4.05Å; F1039-H1147 HydrophobicContact CZ-CB 3.99Å; F1039-H1147 AromaticContact CZ-CD2 3.62Å; F1039-H1147 AromaticContact CZ-CG 3.87Å; F1039-G1149 WeakPolarHBondContact CB-O 3.42Å; F1039-H1150 VanDerWaalsContact CD1-O 3.27Å; F1039-H1150 WeakPolarHBondContact CD1-O 3.37Å; F1039-H1150 WeakPolarHBondContact CE1-O 3.4Å; F1039-Y1151 AromaticContact CD2-CD2 3.82Å; F1039-Y1151 HydrophobicContact CD2-CD2 3.82Å; F1039-Y1151 HydrophobicContact CD2-CG 4.36Å; F1039-Y1151 AromaticContact CE2-CD2 3.81Å; F1039-Y1151 HydrophobicContact CE2-CD2 3.81Å; F1039-R1154 HydrophobicContact CE1-CB 4.23Å; F1039-R1154 HydrophobicContact CE2-CB 4.35Å; F1039-R1154 HydrophobicContact CZ-CB 3.65Å
1040N92.5Very high92.5Very high12 Ų1223.4 Ų23.46%0.06410%0.103CC..THydrogen-bonded Turntrans-69.7-13.2-167.282.1-29.9000115.2G1086 R1087 E1088 A1089 I1146 H1147 S1148 G1149N1040-G1086 CarbonylContact O-C 3.44Å; N1040-G1086 VanDerWaalsContact O-CA 3.3Å; N1040-G1086 WeakPolarHBondContact O-CA 3.34Å; N1040-R1087 PolarHBondContact O-N 3.18Å; N1040-R1087 VanDerWaalsContact O-N 3.07Å; N1040-E1088 VanDerWaalsContact ND2-CD 3.27Å; N1040-E1088 PolarHBondContact ND2-OE1 3.5Å; N1040-E1088 CarbonylContact O-C 3.59Å; N1040-E1088 WeakPolarHBondContact O-CA 3.13Å; N1040-E1088 PolarHBondContact O-N 3.5Å; N1040-A1089 PolarHBondContact O-N 3.48Å; N1040-I1146 HydrophobicContact CB-CG2 4.39Å; N1040-H1147 WeakPolarHBondContact CB-O 3.14Å; N1040-H1147 PolarHBondContact N-O 3.37Å; N1040-S1148 VanDerWaalsContact OD1-CA 3.31Å; N1040-S1148 WeakPolarHBondContact OD1-CA 3.42Å; N1040-G1149 PolarHBondContact OD1-N 3.12Å
1041Q92.2Very high92Very high57 Ų5727 Ų2727%0.26612%0.116SC..THydrogen-bonded Turntrans-97.81.1176.6-69.8171.7-6.600113.8F1039 E1088 A1089 G1149 H1150F1039-Q1041 PolarHBondContact O-N 3.02Å; F1039-Q1041 VanDerWaalsContact O-N 3.15Å; Q1041-E1088 HydrophobicContact CB-CB 4.49Å; Q1041-E1088 HydrophobicContact CG-CB 3.53Å; Q1041-E1088 PolarHBondContact NE2-OE2 3.48Å; Q1041-A1089 VanDerWaalsContact C-CB 3.49Å; Q1041-A1089 WeakPolarHBondContact O-CA 3.26Å; Q1041-A1089 WeakPolarHBondContact O-CB 3.31Å; Q1041-G1149 PolarHBondContact N-O 3.04Å; Q1041-G1149 VanDerWaalsContact OE1-CA 3.31Å; Q1041-H1150 PolarHBondContact O-CE1 3.15Å; Q1041-H1150 PolarHBondContact O-ND1 2.79Å; Q1041-H1150 PolarHBondContact OE1-CD2 3.12Å; Q1041-H1150 VanDerWaalsContact OE1-CD2 3.29Å
1042D93.9Very high91.4Very high8 Ų824.4 Ų24.44%0.04311%0.105CC..SBendtrans-119170.4179.8-65.3-50.9000113.1I1021 F1039 Y1044 G1086 A1089 H1150 Y1151I1021-D1042 HydrophobicContact CD1-CB 4.04Å; I1021-D1042 HydrophobicContact CG1-CB 4.42Å; F1039-D1042 PolarHBondContact O-N 3.43Å; F1039-D1042 VanDerWaalsContact O-N 3.17Å; D1042-Y1044 HydrophobicContact CB-CE2 4.07Å; D1042-G1086 WeakPolarHBondContact O-CA 3.43Å; D1042-G1086 PolarHBondContact O-N 2.71Å; D1042-A1089 VanDerWaalsContact O-CB 3.25Å; D1042-A1089 WeakPolarHBondContact O-CB 3.47Å; D1042-H1150 IonicContact OD1-CE1 2.67Å; D1042-H1150 IonicContact OD1-CG 2.72Å; D1042-H1150 IonicContact OD1-ND1 3.47Å; D1042-H1150 PolarHBondContact OD1-ND1 3.3Å; D1042-H1150 VanDerWaalsContact OD2-CA 3.24Å; D1042-H1150 WeakPolarHBondContact OD2-CA 3.47Å; D1042-H1150 WeakPolarHBondContact OD2-CB 3.4Å; D1042-H1150 IonicContact OD2-CG 2.69Å; D1042-H1150 IonicContact OD2-ND1 3.6Å; D1042-Y1151 WeakPolarHBondContact OD2-CB 3.16Å; D1042-Y1151 PolarHBondContact OD2-N 2.86Å
1043S94.8Very high90.3Very high0 Ų029.1 Ų29.10%012%0.119CC..EExtended strand (participates in β ladder)trans-121.6147.8174.8-56.60000111M1022 F1083 W1084M1022-S1043 PolarHBondContact N-O 2.91Å; S1043-F1083 VanDerWaalsContact CB-CZ 3.49Å; S1043-W1084 CarbonylContact C-O 3.58Å; S1043-W1084 WeakPolarHBondContact CA-O 3.42Å
1044Y96Very high88.7Confident1 Ų126.4 Ų26.40%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-130.1158-172-68.1-103.2000110.9Q1019 F1020 I1021 V1030 F1038 F1039 D1042 F1083 W1084Q1019-Y1044 HydrophobicContact CG-CD1 4.28Å; F1020-Y1044 CarbonylContact O-C 3.52Å; F1020-Y1044 WeakPolarHBondContact O-CA 3.43Å; F1020-Y1044 WeakPolarHBondContact O-CB 3.37Å; F1020-Y1044 WeakPolarHBondContact O-CD1 3.48Å; I1021-Y1044 HydrophobicContact CB-CD1 3.91Å; I1021-Y1044 HydrophobicContact CB-CE1 3.93Å; I1021-Y1044 HydrophobicContact CD1-CE1 3.97Å; I1021-Y1044 HydrophobicContact CD1-CE2 4.36Å; I1021-Y1044 HydrophobicContact CG1-CD1 4.15Å; I1021-Y1044 HydrophobicContact CG1-CE1 3.97Å; I1021-Y1044 HydrophobicContact CG1-CE2 4.44Å; I1021-Y1044 HydrophobicContact CG1-CG 4.49Å; V1030-Y1044 HydrophobicContact CG2-CD1 4.02Å; V1030-Y1044 HydrophobicContact CG2-CE1 3.93Å; F1038-Y1044 HydrophobicContact CB-CE2 4.34Å; F1038-Y1044 HydrophobicContact CD1-CD1 4.06Å; F1038-Y1044 AromaticContact CD1-CD2 3.64Å; F1038-Y1044 HydrophobicContact CD1-CD2 3.64Å; F1038-Y1044 HydrophobicContact CD1-CE1 4.36Å; F1038-Y1044 AromaticContact CD1-CE2 4Å; F1038-Y1044 HydrophobicContact CD1-CE2 4Å; F1038-Y1044 AromaticContact CD1-CG 3.67Å; F1038-Y1044 HydrophobicContact CD1-CG 3.67Å; F1038-Y1044 HydrophobicContact CE1-CD1 4.14Å; F1038-Y1044 HydrophobicContact CE1-CD2 4.27Å; F1038-Y1044 AromaticContact CE1-CG 3.84Å; F1038-Y1044 HydrophobicContact CE1-CG 3.84Å; F1039-Y1044 WeakPolarHBondContact CD2-OH 3.34Å; F1039-Y1044 PolarHBondContact N-OH 3.31Å; D1042-Y1044 HydrophobicContact CB-CE2 4.07Å; Y1044-F1083 CarbonylContact O-C 3.56Å; Y1044-F1083 WeakPolarHBondContact O-CA 3.44Å; Y1044-W1084 AromaticContact CD2-CE3 3.82Å; Y1044-W1084 HydrophobicContact CD2-CE3 3.82Å; Y1044-W1084 HydrophobicContact CD2-CZ3 4.01Å; Y1044-W1084 HydrophobicContact CE2-CZ3 4.28Å; Y1044-W1084 PolarHBondContact N-O 2.91Å; Y1044-W1084 PolarHBondContact O-N 3.18Å
1045I94.8Very high86.4Confident1 Ų130.6 Ų30.61%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-125125.9172.4-55.6158.3000107.9F1020 M1022 W1027 V1081 Y1082 F1083 F1097 M1105F1020-I1045 HydrophobicContact CB-CB 4.32Å; F1020-I1045 PolarHBondContact N-O 3.34Å; F1020-I1045 PolarHBondContact O-N 2.87Å; M1022-I1045 HydrophobicContact CG-CD1 3.93Å; M1022-I1045 HydrophobicContact CG-CG1 4.27Å; M1022-I1045 HydrophobicContact SD-CD1 3.79Å; W1027-I1045 HydrophobicContact CB-CD1 3.92Å; I1045-V1081 HydrophobicContact CG2-CG1 3.5Å; I1045-Y1082 CarbonylContact C-O 3.17Å; I1045-Y1082 WeakPolarHBondContact CA-O 3.36Å; I1045-F1083 HydrophobicContact CG1-CD2 3.97Å; I1045-F1097 HydrophobicContact CD1-CD2 3.74Å; I1045-F1097 HydrophobicContact CD1-CE2 3.63Å; I1045-F1097 HydrophobicContact CG1-CD2 4.18Å; I1045-F1097 HydrophobicContact CG1-CE2 3.95Å; I1045-M1105 HydrophobicContact CG2-CE 3.86Å; I1045-M1105 HydrophobicContact CG2-SD 4.36Å
1046L94.8Very high84.2Confident2 Ų238.8 Ų38.81%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-111.1123.6173.8-174.576.7000108.4L1017 Q1018 Q1019 Y1082 F1136 F1140L1017-L1046 HydrophobicContact CD1-CD1 4Å; L1017-L1046 HydrophobicContact CD1-CD2 4.05Å; L1017-L1046 HydrophobicContact CD1-CG 4.03Å; L1017-L1046 HydrophobicContact CG-CD1 4.28Å; Q1018-L1046 CarbonylContact O-C 3.44Å; Q1018-L1046 WeakPolarHBondContact O-CA 3.29Å; Q1019-L1046 HydrophobicContact CB-CD1 4.1Å; L1046-Y1082 PolarHBondContact N-O 2.68Å; L1046-Y1082 PolarHBondContact O-N 3.22Å; L1046-F1136 HydrophobicContact CB-CE2 4.19Å; L1046-F1136 HydrophobicContact CD2-CD2 3.77Å; L1046-F1136 HydrophobicContact CD2-CE2 3.49Å; L1046-F1136 VanDerWaalsContact CD2-CE2 3.49Å; L1046-F1136 HydrophobicContact CD2-CZ 4.25Å; L1046-F1140 HydrophobicContact CD1-CZ 4.1Å; L1046-F1140 HydrophobicContact CD2-CE2 3.97Å; L1046-F1140 HydrophobicContact CD2-CZ 3.81Å
1047I94.3Very high81.7Confident9 Ų944 Ų445%0.04620%0.203CC..EExtended strand (participates in β ladder)trans-100.1123.6173.6-49.4178.7000107.4L1017 Q1018 F1020 T1079 M1105 L1109L1017-I1047 WeakPolarHBondContact CA-O 3.35Å; Q1018-I1047 HydrophobicContact CB-CB 4.42Å; Q1018-I1047 PolarHBondContact N-O 2.66Å; Q1018-I1047 PolarHBondContact O-N 3.32Å; F1020-I1047 HydrophobicContact CD2-CD1 4.27Å; F1020-I1047 HydrophobicContact CD2-CG1 4.39Å; F1020-I1047 HydrophobicContact CE2-CD1 3.62Å; F1020-I1047 HydrophobicContact CE2-CG1 4.11Å; F1020-I1047 HydrophobicContact CZ-CD1 4.34Å; I1047-T1079 HydrophobicContact CG2-CG2 3.57Å; I1047-M1105 HydrophobicContact CD1-CE 3.44Å; I1047-M1105 VanDerWaalsContact CD1-CE 3.44Å; I1047-M1105 HydrophobicContact CG1-CE 3.74Å; I1047-L1109 HydrophobicContact CD1-CD1 4.48Å
1048A93.2Very high79.2Confident0 Ų051.1 Ų51.10%023%0.234CC..EExtended strand (participates in β ladder)trans-118.6140.4173.300000109.9L1002 A1016 L1017 Y1050 T1079 V1080 Y1082L1002-A1048 HydrophobicContact CD2-CB 4.29Å; A1016-A1048 CarbonylContact O-C 3.57Å; A1016-A1048 VanDerWaalsContact O-CA 3.25Å; A1016-A1048 WeakPolarHBondContact O-CA 3.41Å; L1017-A1048 HydrophobicContact CD1-CB 4.02Å; A1048-Y1050 HydrophobicContact CB-CE2 3.63Å; A1048-Y1050 WeakPolarHBondContact CB-OH 3.41Å; A1048-T1079 CarbonylContact O-C 3.55Å; A1048-T1079 WeakPolarHBondContact O-CA 3.38Å; A1048-V1080 PolarHBondContact N-O 2.79Å; A1048-V1080 PolarHBondContact O-N 2.94Å; A1048-Y1082 HydrophobicContact CB-CE2 4.11Å
1049R91.4Very high76.3Confident83 Ų8360.3 Ų60.331%0.31328%0.277SS..EExtended strand (participates in β ladder)trans-126.2125.2-178.8-62.8176.3163.3155.5-15111.7L1002 I1003 S1015 A1016 T1079L1002-R1049 WeakPolarHBondContact CA-O 3.4Å; L1002-R1049 VanDerWaalsContact CD2-O 3.31Å; L1002-R1049 WeakPolarHBondContact CD2-O 3.47Å; I1003-R1049 HydrophobicContact CD1-CB 3.62Å; I1003-R1049 HydrophobicContact CG1-CB 4.24Å; I1003-R1049 PolarHBondContact N-O 3.1Å; S1015-R1049 PolarHBondContact O-NH1 3.36Å; A1016-R1049 HydrophobicContact CB-CB 4.45Å; A1016-R1049 PolarHBondContact O-N 3.09Å; R1049-T1079 HydrophobicContact CG-CG2 4.34Å
1050Y90Very high73.5Confident6 Ų667.7 Ų67.72%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-121.4161.8-174.8-48.3-93.3000110.9E1001 L1002 A1048 T1077 K1078 V1080 Y1082 M1135 H1139E1001-Y1050 HydrophobicContact CB-CD1 3.94Å; E1001-Y1050 VanDerWaalsContact O-CA 3.22Å; E1001-Y1050 WeakPolarHBondContact O-CA 3.15Å; E1001-Y1050 WeakPolarHBondContact O-CB 3.35Å; L1002-Y1050 HydrophobicContact CD2-CD1 3.66Å; L1002-Y1050 HydrophobicContact CD2-CE1 3.47Å; L1002-Y1050 VanDerWaalsContact CD2-CE1 3.47Å; L1002-Y1050 HydrophobicContact CD2-CG 4.29Å; L1002-Y1050 HydrophobicContact CG-CD1 4.19Å; L1002-Y1050 HydrophobicContact CG-CE1 4.1Å; A1048-Y1050 HydrophobicContact CB-CE2 3.63Å; A1048-Y1050 WeakPolarHBondContact CB-OH 3.41Å; Y1050-T1077 WeakPolarHBondContact O-CA 3.29Å; Y1050-K1078 PolarHBondContact N-O 3Å; Y1050-K1078 PolarHBondContact O-N 3.34Å; Y1050-V1080 HydrophobicContact CD2-CG2 3.94Å; Y1050-V1080 HydrophobicContact CE2-CB 3.89Å; Y1050-V1080 HydrophobicContact CE2-CG2 3.54Å; Y1050-Y1082 PolarHBondContact OH-OH 2.82Å; Y1050-M1135 HydrophobicContact CD1-CE 4.14Å; Y1050-M1135 HydrophobicContact CE1-CE 3.54Å; Y1050-M1135 HydrophobicContact CE1-SD 4.36Å; Y1050-H1139 AromaticContact CE1-CE1 3.79Å; Y1050-H1139 AromaticContact CE1-NE2 3.65Å; Y1050-H1139 AromaticContact CZ-NE2 3.61Å; Y1050-H1139 PolarHBondContact OH-NE2 2.94Å
1051W83.2Confident70.6Confident79 Ų7971.9 Ų71.930%0.29935%0.346SS..EExtended strand (participates in β ladder)trans-69.7143.3164.6-57.9104.3000110.7E1001 L1002 I1003 Y1053 N1075 T1077E1001-W1051 PolarHBondContact O-N 3.03Å; E1001-W1051 VanDerWaalsContact O-N 3.15Å; L1002-W1051 PolarHBondContact O-NE1 3.33Å; I1003-W1051 HydrophobicContact CB-CZ2 4.32Å; I1003-W1051 HydrophobicContact CG1-CD2 4.44Å; I1003-W1051 HydrophobicContact CG2-CH2 4.21Å; I1003-W1051 HydrophobicContact CG2-CZ2 3.91Å; W1051-Y1053 HydrophobicContact CB-CD1 4.46Å; W1051-Y1053 HydrophobicContact CB-CD2 4.19Å; W1051-Y1053 HydrophobicContact CB-CE1 3.9Å; W1051-Y1053 HydrophobicContact CB-CE2 3.6Å; W1051-Y1053 VanDerWaalsContact CB-CZ 3.43Å; W1051-Y1053 HydrophobicContact CG-CE2 4.39Å; W1051-Y1053 AromaticContact CG-CZ 3.96Å; W1051-Y1053 PolarHBondContact O-N 3.37Å; W1051-N1075 HydrophobicContact CZ3-CB 4.14Å; W1051-T1077 HydrophobicContact CE3-CG2 4.19Å; W1051-T1077 HydrophobicContact CZ3-CG2 4.35Å
1052D75.5Confident67.8Low26 Ų2678.9 Ų78.914%0.13938%0.379CS..  trans-102.672.3-174.8-157.424.9000112.5D1054 L1076 K1078 K1121D1052-D1054 PolarHBondContact O-N 3.47Å; D1052-L1076 HydrophobicContact CB-CB 4.15Å; D1052-L1076 PolarHBondContact N-O 3.09Å; D1052-K1078 HydrophobicContact CB-CB 3.95Å; D1052-K1078 VanDerWaalsContact OD1-CD 3.31Å; D1052-K1078 WeakPolarHBondContact OD1-CD 3.44Å; D1052-K1121 WeakPolarHBondContact OD1-CD 3.34Å; D1052-K1121 IonicContact OD1-NZ 3.87Å; D1052-K1121 PolarHBondContact OD1-NZ 2.88Å; D1052-K1121 WeakPolarHBondContact OD2-CD 3.32Å; D1052-K1121 IonicContact OD2-NZ 2.8Å; D1052-K1121 PolarHBondContact OD2-NZ 3.28Å
1053Y64Low64.9Low170 Ų17083.7 Ų83.767%0.66741%0.413SS*.  trans-74.655.5179.9-52.1-62.6000113.5W1051 D1055W1051-Y1053 HydrophobicContact CB-CD1 4.46Å; W1051-Y1053 HydrophobicContact CB-CD2 4.19Å; W1051-Y1053 HydrophobicContact CB-CE1 3.9Å; W1051-Y1053 HydrophobicContact CB-CE2 3.6Å; W1051-Y1053 VanDerWaalsContact CB-CZ 3.43Å; W1051-Y1053 HydrophobicContact CG-CE2 4.39Å; W1051-Y1053 AromaticContact CG-CZ 3.96Å; W1051-Y1053 PolarHBondContact O-N 3.37Å; Y1053-D1055 PolarHBondContact O-N 2.71Å
1054D53Low62Low74 Ų7490.8 Ų90.840%0.39645%0.451SS..  trans-66.898.1177.9-88.7-9.9000111.9D1052 E1056 K1121D1052-D1054 PolarHBondContact O-N 3.47Å; D1054-E1056 PolarHBondContact O-N 3.19Å; D1054-E1056 VanDerWaalsContact O-N 3.11Å; D1054-K1121 IonicContact OD1-NZ 3.4Å; D1054-K1121 PolarHBondContact OD1-NZ 3Å; D1054-K1121 IonicContact OD2-NZ 3.94Å; D1054-K1121 PolarHBondContact OD2-NZ 2.81Å
1055D44.1Very low58.9Low104 Ų10496.5 Ų96.556%0.55648%0.482SS*.G310 helixtrans-59.9-16.9178.3-92.4-28.8000114.5Y1053 N1057 K1058Y1053-D1055 PolarHBondContact O-N 2.71Å; D1055-N1057 PolarHBondContact O-N 3.17Å; D1055-K1058 PolarHBondContact O-N 2.75Å; D1055-K1058 WeakPolarHBondContact OD1-CD 3.15Å; D1055-K1058 WeakPolarHBondContact OD1-CE 3.37Å; D1055-K1058 IonicContact OD1-NZ 3.72Å; D1055-K1058 PolarHBondContact OD1-NZ 3.34Å
1056E44.6Very low55.9Low176 Ų176105.4 Ų105.482%0.82252%0.523SS*.G310 helixtrans-60.2-10.9-178-62.2-169.3161.300114.3D1054D1054-E1056 PolarHBondContact O-N 3.19Å; D1054-E1056 VanDerWaalsContact O-N 3.11Å
1057N39.7Very low52.8Low110 Ų110108.9 Ų108.959%0.58856%0.56SS**G310 helixtrans-89.9-7.2175.2-65-77.8000114.5D1055 E1059D1055-N1057 PolarHBondContact O-N 3.17Å; N1057-E1059 PolarHBondContact O-N 2.77Å
1058K39.5Very low49.7Very low155 Ų155115.6 Ų115.667%0.67460%0.596SS**THydrogen-bonded Turntrans-78.8-10.1-173.2-74.3178.7-179.6163.20115.6D1055D1055-K1058 PolarHBondContact O-N 2.75Å; D1055-K1058 WeakPolarHBondContact OD1-CD 3.15Å; D1055-K1058 WeakPolarHBondContact OD1-CE 3.37Å; D1055-K1058 IonicContact OD1-NZ 3.72Å; D1055-K1058 PolarHBondContact OD1-NZ 3.34Å
1059E36.1Very low46.7Very low194 Ų194123 Ų12391%0.90764%0.635SS**THydrogen-bonded Turntrans-88.99.9179.9-62.9-161.4142.500114.6N1057N1057-E1059 PolarHBondContact O-N 2.77Å
1060L35.9Very low43.8Very low154 Ų154127.1 Ų127.181%0.80666%0.662SS**SBendtrans-119.49-170.4-79169.5000116.2
1061S31.4Very low41Very low101 Ų101133.9 Ų133.971%0.70670%0.698SS**  trans-132.353.7-172.867.90000115.6
1062E32.6Very low38.7Very low204 Ų204138.6 Ų138.695%0.95372%0.724SS**  trans-118.967.6166.1-73.4-158.6147.700112.3
1063S34.7Very low36.8Very low109 Ų109145.3 Ų145.376%0.76276%0.76SS**  trans-156.4106.316464.50000114.2
1064D32.6Very low36Very low148 Ų148139.1 Ų139.179%0.79174%0.741SS**  trans40.9109.8148.9-70.3-38.7000122.3
1065N31.7Very low36.1Very low122 Ų122140 Ų14065%0.65275%0.745SS**  72122.6128.2-72.2-69.7000122.7
1066Q31.5Very low37.1Very low187 Ų187137.8 Ų137.887%0.87473%0.733SS**  trans68.7113140-61.4171.620.300119
1067G30.7Very low38.8Very low75 Ų75130.4 Ų130.477%0.77370%0.7SS**  trans162.485.1166.400000115
1068D29.5Very low41Very low150 Ų150128.5 Ų128.580%0.80269%0.687SS**  trans7.1129.6155.9-46.5-19.7000121.1
1069D30.1Very low43.5Very low157 Ų157121.3 Ų121.384%0.8466%0.656SS**  trans35.294.9142.7-56.7-11.2000120.6
1070I30.4Very low46.3Very low168 Ų168112.5 Ų112.586%0.86262%0.616SS**  trans-141.9141.9142.4-82.6110.1000108.9
1071D29.4Very low49.1Very low148 Ų148105.2 Ų105.279%0.79158%0.577SS**  trans-77.2175.3-172.3-65.6-78.9000116.5
1072E34.8Very low52.1Low179 Ų179100.4 Ų100.484%0.83654%0.544SS*.  trans75.682.4158.3-72.8171.2-165.100119S1074E1072-S1074 PolarHBondContact O-N 3.39Å
1073D37Very low55.1Low167 Ų16790.7 Ų90.789%0.89350%0.498SS*.  trans-5879.7143.3-89.9-44.4000110N1075D1073-N1075 PolarHBondContact O-N 3.31Å
1074S46.6Very low58.1Low39 Ų3985.6 Ų85.627%0.27346%0.462SS..  trans-59.7131.1-179.462.90000111.4E1072 L1076E1072-S1074 PolarHBondContact O-N 3.39Å; S1074-L1076 PolarHBondContact O-N 3.02Å
1075N54.5Low60.9Low92 Ų9279 Ų7949%0.49243%0.427SS..  trans-6888.3-167.4-71.9-70.9000113.3W1051 D1073 T1077W1051-N1075 HydrophobicContact CZ3-CB 4.14Å; D1073-N1075 PolarHBondContact O-N 3.31Å; N1075-T1077 PolarHBondContact O-N 3.19Å
1076L66.7Low63.8Low58 Ų5873.3 Ų73.330%0.30440%0.397SS..  trans-70.1123.4177-67.8171.8000111.4D1052 S1074D1052-L1076 HydrophobicContact CB-CB 4.15Å; D1052-L1076 PolarHBondContact N-O 3.09Å; S1074-L1076 PolarHBondContact O-N 3.02Å
1077T78.5Confident66.4Low21 Ų2165.2 Ų65.213%0.12936%0.358CS..EExtended strand (participates in β ladder)trans-131.9145.2-174.352.90000111.9I1003 Y1050 W1051 N1075I1003-T1077 HydrophobicContact CD1-CG2 3.42Å; I1003-T1077 VanDerWaalsContact CD1-CG2 3.42Å; I1003-T1077 HydrophobicContact CG1-CG2 3.99Å; Y1050-T1077 WeakPolarHBondContact O-CA 3.29Å; W1051-T1077 HydrophobicContact CE3-CG2 4.19Å; W1051-T1077 HydrophobicContact CZ3-CG2 4.35Å; N1075-T1077 PolarHBondContact O-N 3.19Å
1078K87.5Confident69.2Low71 Ų7165.2 Ų65.231%0.30934%0.339SS..EExtended strand (participates in β ladder)trans-119.1118.6-172.4173.9177.3171.4-174.10109Y1050 D1052 K1121Y1050-K1078 PolarHBondContact N-O 3Å; Y1050-K1078 PolarHBondContact O-N 3.34Å; D1052-K1078 HydrophobicContact CB-CB 3.95Å; D1052-K1078 VanDerWaalsContact OD1-CD 3.31Å; D1052-K1078 WeakPolarHBondContact OD1-CD 3.44Å; K1078-K1121 WeakPolarHBondContact CA-O 3.39Å; K1078-K1121 HydrophobicContact CD-CD 4.35Å; K1078-K1121 HydrophobicContact CG-CD 4.29Å; K1078-K1121 HydrophobicContact CG-CG 4.48Å
1079T91.9Very high72Confident3 Ų358.1 Ų58.12%0.01830%0.301CS..EExtended strand (participates in β ladder)trans-99.8127.9179-59.90000110.3I1047 A1048 R1049 V1081 L1109 K1121 V1122 V1123I1047-T1079 HydrophobicContact CG2-CG2 3.57Å; A1048-T1079 CarbonylContact O-C 3.55Å; A1048-T1079 WeakPolarHBondContact O-CA 3.38Å; R1049-T1079 HydrophobicContact CG-CG2 4.34Å; T1079-V1081 HydrophobicContact CG2-CG2 4.26Å; T1079-L1109 HydrophobicContact CG2-CD1 4.12Å; T1079-L1109 HydrophobicContact CG2-CD2 4.48Å; T1079-K1121 PolarHBondContact N-O 2.99Å; T1079-V1122 CarbonylContact O-C 3.46Å; T1079-V1122 WeakPolarHBondContact O-CA 3.42Å; T1079-V1123 PolarHBondContact O-N 3.25Å
1080V93.8Very high74.5Confident10 Ų1054 Ų546%0.06128%0.284CS..EExtended strand (participates in β ladder)trans-111.1125.6171.2-172.20000109.4A1048 Y1050 Y1082 V1123 K1125A1048-V1080 PolarHBondContact N-O 2.79Å; A1048-V1080 PolarHBondContact O-N 2.94Å; Y1050-V1080 HydrophobicContact CD2-CG2 3.94Å; Y1050-V1080 HydrophobicContact CE2-CB 3.89Å; Y1050-V1080 HydrophobicContact CE2-CG2 3.54Å; V1080-Y1082 HydrophobicContact CB-CD2 4.42Å; V1080-Y1082 HydrophobicContact CB-CE2 3.88Å; V1080-Y1082 HydrophobicContact CG1-CD2 3.9Å; V1080-Y1082 HydrophobicContact CG1-CE1 4.43Å; V1080-Y1082 HydrophobicContact CG1-CE2 3.49Å; V1080-Y1082 VanDerWaalsContact CG1-CE2 3.49Å; V1080-Y1082 HydrophobicContact CG1-CG 4.49Å; V1080-V1123 CarbonylContact C-O 3.56Å; V1080-V1123 WeakPolarHBondContact CA-O 3.41Å; V1080-V1123 HydrophobicContact CG2-CB 4.38Å; V1080-K1125 HydrophobicContact CG1-CD 3.92Å; V1080-K1125 HydrophobicContact CG1-CG 4.2Å
1081V95.3Very high77Confident0 Ų048.3 Ų48.30%026%0.255CS..EExtended strand (participates in β ladder)trans-106.7107.3178-176.60000108.5I1045 T1079 F1097 M1105 L1109 V1122 V1123 F1124 K1125I1045-V1081 HydrophobicContact CG2-CG1 3.5Å; T1079-V1081 HydrophobicContact CG2-CG2 4.26Å; V1081-F1097 HydrophobicContact CG1-CZ 4.17Å; V1081-M1105 HydrophobicContact CG1-CE 3.89Å; V1081-M1105 HydrophobicContact CG1-SD 3.95Å; V1081-M1105 HydrophobicContact CG2-CE 4.45Å; V1081-L1109 HydrophobicContact CG2-CD1 3.53Å; V1081-V1122 HydrophobicContact CG2-CG1 4.25Å; V1081-V1123 PolarHBondContact N-O 3.35Å; V1081-F1124 HydrophobicContact CB-CD1 3.68Å; V1081-F1124 HydrophobicContact CB-CE1 3.86Å; V1081-F1124 HydrophobicContact CB-CG 4.4Å; V1081-F1124 HydrophobicContact CG1-CD1 3.88Å; V1081-F1124 HydrophobicContact CG1-CE1 3.92Å; V1081-F1124 HydrophobicContact CG2-CD1 4.3Å; V1081-F1124 HydrophobicContact CG2-CE1 4.03Å; V1081-F1124 HydrophobicContact CG2-CZ 4.49Å; V1081-F1124 WeakPolarHBondContact O-CA 3.49Å; V1081-K1125 PolarHBondContact O-N 3.27Å
1082Y95.5Very high79.6Confident1 Ų146.1 Ų46.10%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-93120.4176.1-61.5-102000109.8I1045 L1046 A1048 Y1050 V1080 K1125 V1127 F1136I1045-Y1082 CarbonylContact C-O 3.17Å; I1045-Y1082 WeakPolarHBondContact CA-O 3.36Å; L1046-Y1082 PolarHBondContact N-O 2.68Å; L1046-Y1082 PolarHBondContact O-N 3.22Å; A1048-Y1082 HydrophobicContact CB-CE2 4.11Å; Y1050-Y1082 PolarHBondContact OH-OH 2.82Å; V1080-Y1082 HydrophobicContact CB-CD2 4.42Å; V1080-Y1082 HydrophobicContact CB-CE2 3.88Å; V1080-Y1082 HydrophobicContact CG1-CD2 3.9Å; V1080-Y1082 HydrophobicContact CG1-CE1 4.43Å; V1080-Y1082 HydrophobicContact CG1-CE2 3.49Å; V1080-Y1082 VanDerWaalsContact CG1-CE2 3.49Å; V1080-Y1082 HydrophobicContact CG1-CG 4.49Å; Y1082-K1125 CarbonylContact C-O 3.56Å; Y1082-K1125 WeakPolarHBondContact CA-O 3.45Å; Y1082-K1125 HydrophobicContact CD1-CB 3.94Å; Y1082-K1125 HydrophobicContact CD1-CD 3.6Å; Y1082-K1125 HydrophobicContact CD1-CG 4.44Å; Y1082-K1125 HydrophobicContact CE1-CB 4.4Å; Y1082-K1125 HydrophobicContact CE1-CD 3.19Å; Y1082-K1125 HydrophobicContact CE1-CG 4.42Å; Y1082-K1125 HydrophobicContact CG-CB 4.47Å; Y1082-K1125 PolarHBondContact OH-NZ 2.74Å; Y1082-V1127 HydrophobicContact CD1-CG2 3.9Å; Y1082-F1136 HydrophobicContact CD1-CB 4.3Å; Y1082-F1136 AromaticContact CD1-CD2 3.55Å; Y1082-F1136 HydrophobicContact CD1-CD2 3.55Å; Y1082-F1136 HydrophobicContact CD1-CE2 4.34Å; Y1082-F1136 HydrophobicContact CD1-CG 4.34Å; Y1082-F1136 HydrophobicContact CD2-CD2 4.26Å; Y1082-F1136 HydrophobicContact CE1-CB 3.93Å; Y1082-F1136 AromaticContact CE1-CD2 3.98Å; Y1082-F1136 HydrophobicContact CE1-CD2 3.98Å; Y1082-F1136 HydrophobicContact CE1-CG 4.44Å; Y1082-F1136 AromaticContact CG-CD2 3.7Å; Y1082-F1136 HydrophobicContact CG-CD2 3.7Å; Y1082-F1136 HydrophobicContact CG-CE2 4.19Å
1083F95.6Very high82Confident0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-91.8110.3166.6-176.1-82.3000109.2M1022 S1043 Y1044 I1045 Q1085 W1094 F1097 K1125 R1126 V1127M1022-F1083 HydrophobicContact CG-CE2 4.07Å; S1043-F1083 VanDerWaalsContact CB-CZ 3.49Å; Y1044-F1083 CarbonylContact O-C 3.56Å; Y1044-F1083 WeakPolarHBondContact O-CA 3.44Å; I1045-F1083 HydrophobicContact CG1-CD2 3.97Å; F1083-Q1085 HydrophobicContact CE1-CB 4.1Å; F1083-W1094 HydrophobicContact CB-CE3 4.32Å; F1083-W1094 HydrophobicContact CB-CZ3 4.01Å; F1083-W1094 AromaticContact CD1-CE3 3.58Å; F1083-W1094 HydrophobicContact CD1-CE3 3.58Å; F1083-W1094 HydrophobicContact CD1-CZ3 4.14Å; F1083-W1094 HydrophobicContact CD2-CE3 4.3Å; F1083-W1094 HydrophobicContact CE1-CB 4.05Å; F1083-W1094 AromaticContact CE1-CE3 3.87Å; F1083-W1094 HydrophobicContact CE1-CE3 3.87Å; F1083-W1094 AromaticContact CG-CE3 3.81Å; F1083-W1094 HydrophobicContact CG-CE3 3.81Å; F1083-W1094 HydrophobicContact CG-CZ3 4.01Å; F1083-W1094 HydrophobicContact CZ-CB 4.21Å; F1083-W1094 HydrophobicContact CZ-CE3 4.35Å; F1083-F1097 HydrophobicContact CB-CD1 4.43Å; F1083-F1097 HydrophobicContact CB-CE1 4.29Å; F1083-F1097 HydrophobicContact CD2-CB 3.77Å; F1083-F1097 AromaticContact CD2-CD1 3.81Å; F1083-F1097 HydrophobicContact CD2-CD1 3.81Å; F1083-F1097 AromaticContact CD2-CD2 3.66Å; F1083-F1097 HydrophobicContact CD2-CD2 3.66Å; F1083-F1097 HydrophobicContact CD2-CE1 4.3Å; F1083-F1097 HydrophobicContact CD2-CE2 4.18Å; F1083-F1097 AromaticContact CD2-CG 3.45Å; F1083-F1097 HydrophobicContact CD2-CG 3.45Å; F1083-F1097 VanDerWaalsContact CD2-CG 3.45Å; F1083-F1097 HydrophobicContact CD2-CZ 4.47Å; F1083-F1097 HydrophobicContact CE2-CB 3.51Å; F1083-F1097 HydrophobicContact CE2-CD1 4.42Å; F1083-F1097 HydrophobicContact CE2-CD2 4.06Å; F1083-F1097 AromaticContact CE2-CG 3.74Å; F1083-F1097 HydrophobicContact CE2-CG 3.74Å; F1083-F1097 HydrophobicContact CG-CD1 4.33Å; F1083-F1097 HydrophobicContact CG-CG 4.39Å; F1083-F1097 HydrophobicContact CZ-CB 4.35Å; F1083-K1125 PolarHBondContact N-O 2.99Å; F1083-R1126 HydrophobicContact CD1-CG 4.37Å; F1083-V1127 PolarHBondContact O-N 3.32Å; F1083-V1127 VanDerWaalsContact O-O 3.1Å
1084W96.1Very high84.5Confident1 Ų132.9 Ų32.90%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-96.6127.4176.5-174.998.1000110.5F1038 S1043 Y1044 G1086 V1127 Q1129 E1132 F1136 F1144 I1146F1038-W1084 HydrophobicContact CB-CE3 4.48Å; F1038-W1084 HydrophobicContact CB-CH2 3.73Å; F1038-W1084 HydrophobicContact CB-CZ2 4.21Å; F1038-W1084 HydrophobicContact CB-CZ3 3.89Å; F1038-W1084 AromaticContact CD1-CD2 3.87Å; F1038-W1084 HydrophobicContact CD1-CD2 3.87Å; F1038-W1084 AromaticContact CD1-CE3 3.65Å; F1038-W1084 HydrophobicContact CD1-CE3 3.65Å; F1038-W1084 HydrophobicContact CD1-CG 4.42Å; F1038-W1084 HydrophobicContact CD1-CH2 4.36Å; F1038-W1084 AromaticContact CD1-CZ3 3.92Å; F1038-W1084 HydrophobicContact CD1-CZ3 3.92Å; F1038-W1084 HydrophobicContact CE1-CD2 4.29Å; F1038-W1084 HydrophobicContact CE1-CE3 4.37Å; F1038-W1084 HydrophobicContact CE1-CG 4.38Å; F1038-W1084 HydrophobicContact CG-CE3 4.43Å; F1038-W1084 HydrophobicContact CG-CH2 4.36Å; F1038-W1084 HydrophobicContact CG-CZ3 4.32Å; S1043-W1084 CarbonylContact C-O 3.58Å; S1043-W1084 WeakPolarHBondContact CA-O 3.42Å; Y1044-W1084 AromaticContact CD2-CE3 3.82Å; Y1044-W1084 HydrophobicContact CD2-CE3 3.82Å; Y1044-W1084 HydrophobicContact CD2-CZ3 4.01Å; Y1044-W1084 HydrophobicContact CE2-CZ3 4.28Å; Y1044-W1084 PolarHBondContact N-O 2.91Å; Y1044-W1084 PolarHBondContact O-N 3.18Å; W1084-G1086 VanDerWaalsContact CZ3-CA 3.41Å; W1084-G1086 VanDerWaalsContact CZ3-N 3.34Å; W1084-V1127 WeakPolarHBondContact CA-O 3.47Å; W1084-Q1129 HydrophobicContact CH2-CB 3.96Å; W1084-Q1129 HydrophobicContact CH2-CG 4.31Å; W1084-Q1129 HydrophobicContact CZ2-CB 3.5Å; W1084-Q1129 HydrophobicContact CZ2-CG 3.89Å; W1084-E1132 PolarHBondContact NE1-OE1 2.97Å; W1084-F1136 HydrophobicContact CB-CZ 4.32Å; W1084-F1136 AromaticContact CD1-CZ 3.78Å; W1084-F1136 HydrophobicContact CG-CZ 4.31Å; W1084-F1144 HydrophobicContact CZ2-CZ 4.34Å; W1084-F1144 AromaticContact NE1-CZ 3.68Å; W1084-I1146 HydrophobicContact CZ2-CD1 4.5Å
1085Q93Very high86.4Confident9 Ų935 Ų354%0.04218%0.184CC..EExtended strand (participates in β ladder)trans-110.3123.8179-174.1178.70.500111.4F1083 A1089 D1091 V1127 K1128 Q1129F1083-Q1085 HydrophobicContact CE1-CB 4.1Å; Q1085-A1089 HydrophobicContact CG-CB 4.13Å; Q1085-A1089 PolarHBondContact NE2-O 3.36Å; Q1085-A1089 VanDerWaalsContact NE2-O 3.11Å; Q1085-D1091 PolarHBondContact NE2-OD1 3.13Å; Q1085-V1127 PolarHBondContact N-O 2.71Å; Q1085-K1128 HydrophobicContact CB-CG 4.49Å; Q1085-Q1129 PolarHBondContact O-N 3.04Å
1086G91.7Very high88Confident3 Ų333.5 Ų33.53%0.03118%0.175CC..  trans-63.2150.9171.600000112.6N1040 D1042 W1084 E1088 A1089N1040-G1086 CarbonylContact O-C 3.44Å; N1040-G1086 VanDerWaalsContact O-CA 3.3Å; N1040-G1086 WeakPolarHBondContact O-CA 3.34Å; D1042-G1086 WeakPolarHBondContact O-CA 3.43Å; D1042-G1086 PolarHBondContact O-N 2.71Å; W1084-G1086 VanDerWaalsContact CZ3-CA 3.41Å; W1084-G1086 VanDerWaalsContact CZ3-N 3.34Å; G1086-E1088 VanDerWaalsContact C-N 3.27Å; G1086-E1088 PolarHBondContact O-N 3.19Å; G1086-A1089 WeakPolarHBondContact O-CB 3.35Å; G1086-A1089 PolarHBondContact O-N 3.29Å
1087R87Confident89.1Confident17 Ų1730.9 Ų30.96%0.06416%0.161CC..THydrogen-bonded Turntrans-65.6-24.3-171.3-171.1162.2-166.5-109.3-28.5115.5N1040 Q1129 Q1303 D1304 G1376 P1379N1040-R1087 PolarHBondContact O-N 3.18Å; N1040-R1087 VanDerWaalsContact O-N 3.07Å; R1087-Q1129 HydrophobicContact CB-CB 4.08Å; R1087-Q1129 VanDerWaalsContact CB-CD 3.49Å; R1087-Q1129 HydrophobicContact CB-CG 4.1Å; R1087-Q1303 VanDerWaalsContact NH2-CG 3.32Å; R1087-D1304 VanDerWaalsContact CD-OD2 3.31Å; R1087-D1304 WeakPolarHBondContact CD-OD2 3.46Å; R1087-D1304 WeakPolarHBondContact CG-OD2 3.15Å; R1087-D1304 IonicContact CZ-OD1 2.75Å; R1087-D1304 VanDerWaalsContact CZ-OD1 3.31Å; R1087-D1304 IonicContact CZ-OD2 3.96Å; R1087-D1304 IonicContact NE-OD1 3.81Å; R1087-D1304 PolarHBondContact NE-OD1 2.65Å; R1087-D1304 IonicContact NE-OD2 2.73Å; R1087-D1304 PolarHBondContact NE-OD2 3.44Å; R1087-D1304 IonicContact NH2-OD1 3.89Å; R1087-D1304 PolarHBondContact NH2-OD1 3Å; R1087-D1304 IonicContact NH2-OD2 3.22Å; R1087-G1376 PolarHBondContact NH1-O 3.29Å; R1087-P1379 PolarHBondContact NH2-O 2.75Å
1088E87.8Confident89.6Confident76 Ų7632.6 Ų32.636%0.35517%0.167SC..THydrogen-bonded Turntrans-108.57174.6-66.7175.6-14100111.5N1040 Q1041 G1086N1040-E1088 VanDerWaalsContact ND2-CD 3.27Å; N1040-E1088 PolarHBondContact ND2-OE1 3.5Å; N1040-E1088 CarbonylContact O-C 3.59Å; N1040-E1088 WeakPolarHBondContact O-CA 3.13Å; N1040-E1088 PolarHBondContact O-N 3.5Å; Q1041-E1088 HydrophobicContact CB-CB 4.49Å; Q1041-E1088 HydrophobicContact CG-CB 3.53Å; Q1041-E1088 PolarHBondContact NE2-OE2 3.48Å; G1086-E1088 VanDerWaalsContact C-N 3.27Å; G1086-E1088 PolarHBondContact O-N 3.19Å
1089A88.5Confident89.6Confident1 Ų136.9 Ų36.91%0.00819%0.186CC..  trans-82.8134.6-175.800000112.8N1040 Q1041 D1042 Q1085 G1086 D1091N1040-A1089 PolarHBondContact O-N 3.48Å; Q1041-A1089 VanDerWaalsContact C-CB 3.49Å; Q1041-A1089 WeakPolarHBondContact O-CA 3.26Å; Q1041-A1089 WeakPolarHBondContact O-CB 3.31Å; D1042-A1089 VanDerWaalsContact O-CB 3.25Å; D1042-A1089 WeakPolarHBondContact O-CB 3.47Å; Q1085-A1089 HydrophobicContact CG-CB 4.13Å; Q1085-A1089 PolarHBondContact NE2-O 3.36Å; Q1085-A1089 VanDerWaalsContact NE2-O 3.11Å; G1086-A1089 WeakPolarHBondContact O-CB 3.35Å; G1086-A1089 PolarHBondContact O-N 3.29Å; A1089-D1091 PolarHBondContact O-N 3.36Å
1090S82Confident89.2Confident69 Ų6941.1 Ų41.148%0.48322%0.216SC..  trans-62.4132.2-175.3-169.40000113.2L1092 S1093S1090-L1092 PolarHBondContact O-N 3.17Å; S1090-L1092 WeakPolarHBondContact OG-CB 3.32Å; S1090-L1092 PolarHBondContact OG-N 3.2Å; S1090-S1093 PolarHBondContact O-N 3.47Å
1091D83.2Confident88.8Confident50 Ų5040.8 Ų40.827%0.26721%0.214SC..Hα-helixtrans-58.1-15.6169.7-76.4-55.9000113.4Q1085 A1089 S1093 W1094 L1095 R1126 H1381Q1085-D1091 PolarHBondContact NE2-OD1 3.13Å; A1089-D1091 PolarHBondContact O-N 3.36Å; D1091-S1093 PolarHBondContact O-N 2.92Å; D1091-W1094 WeakPolarHBondContact O-CB 3.38Å; D1091-W1094 PolarHBondContact O-N 3.15Å; D1091-W1094 VanDerWaalsContact O-N 3.13Å; D1091-L1095 WeakPolarHBondContact O-CG 3.18Å; D1091-L1095 PolarHBondContact O-N 2.81Å; D1091-R1126 IonicContact OD1-NH2 3.41Å; D1091-R1126 PolarHBondContact OD1-NH2 2.67Å; D1091-H1381 IonicContact OD2-CE1 3.08Å
1092L85.7Confident88.6Confident101 Ų10144.2 Ų44.253%0.52923%0.227SC..Hα-helixtrans-56.4-37.4170.5-177.563.2000112S1090 W1094 L1095 Q1096S1090-L1092 PolarHBondContact O-N 3.17Å; S1090-L1092 WeakPolarHBondContact OG-CB 3.32Å; S1090-L1092 PolarHBondContact OG-N 3.2Å; L1092-W1094 VanDerWaalsContact C-N 3.31Å; L1092-W1094 PolarHBondContact O-N 3.09Å; L1092-L1095 PolarHBondContact O-N 2.95Å; L1092-Q1096 HydrophobicContact CD1-CG 4.48Å; L1092-Q1096 HydrophobicContact CG-CG 4.48Å; L1092-Q1096 WeakPolarHBondContact O-CB 3.46Å; L1092-Q1096 WeakPolarHBondContact O-CG 3.18Å; L1092-Q1096 PolarHBondContact O-N 3.15Å
1093S85.2Confident88.3Confident24 Ų2450.7 Ų50.717%0.16826%0.255CS..Hα-helixtrans-66-34.4178-57.30000112.1S1090 D1091 F1097S1090-S1093 PolarHBondContact O-N 3.47Å; D1091-S1093 PolarHBondContact O-N 2.92Å; S1093-F1097 WeakPolarHBondContact O-CB 3.4Å; S1093-F1097 PolarHBondContact O-N 3.27Å; S1093-F1097 VanDerWaalsContact O-N 3.09Å
1094W88.8Confident87.8Confident44 Ų4453.5 Ų53.517%0.16727%0.27CS..Hα-helixtrans-70.6-43173.1168.1-103000111.6F1083 D1091 L1092 Q1096 F1097 E1098 R1126F1083-W1094 HydrophobicContact CB-CE3 4.32Å; F1083-W1094 HydrophobicContact CB-CZ3 4.01Å; F1083-W1094 AromaticContact CD1-CE3 3.58Å; F1083-W1094 HydrophobicContact CD1-CE3 3.58Å; F1083-W1094 HydrophobicContact CD1-CZ3 4.14Å; F1083-W1094 HydrophobicContact CD2-CE3 4.3Å; F1083-W1094 HydrophobicContact CE1-CB 4.05Å; F1083-W1094 AromaticContact CE1-CE3 3.87Å; F1083-W1094 HydrophobicContact CE1-CE3 3.87Å; F1083-W1094 AromaticContact CG-CE3 3.81Å; F1083-W1094 HydrophobicContact CG-CE3 3.81Å; F1083-W1094 HydrophobicContact CG-CZ3 4.01Å; F1083-W1094 HydrophobicContact CZ-CB 4.21Å; F1083-W1094 HydrophobicContact CZ-CE3 4.35Å; D1091-W1094 WeakPolarHBondContact O-CB 3.38Å; D1091-W1094 PolarHBondContact O-N 3.15Å; D1091-W1094 VanDerWaalsContact O-N 3.13Å; L1092-W1094 VanDerWaalsContact C-N 3.31Å; L1092-W1094 PolarHBondContact O-N 3.09Å; W1094-Q1096 PolarHBondContact O-N 2.88Å; W1094-F1097 HydrophobicContact CE3-CD1 4.11Å; W1094-F1097 HydrophobicContact CH2-CD1 4.36Å; W1094-F1097 AromaticContact CZ3-CD1 3.69Å; W1094-F1097 HydrophobicContact CZ3-CD1 3.69Å; W1094-F1097 HydrophobicContact CZ3-CE1 4.15Å; W1094-F1097 WeakPolarHBondContact O-CB 3.48Å; W1094-F1097 PolarHBondContact O-N 3.41Å; W1094-F1097 VanDerWaalsContact O-N 3.15Å; W1094-E1098 WeakPolarHBondContact CH2-OE2 3.38Å; W1094-E1098 HydrophobicContact CZ2-CB 4.1Å; W1094-E1098 HydrophobicContact CZ2-CG 4.21Å; W1094-E1098 PolarHBondContact O-N 2.67Å; W1094-R1126 VanDerWaalsContact CD1-NH1 3.26Å; W1094-R1126 HydrophobicContact CD2-CG 4.37Å; W1094-R1126 HydrophobicContact CE3-CB 4.41Å; W1094-R1126 HydrophobicContact CE3-CG 3.88Å; W1094-R1126 VanDerWaalsContact CG-CZ 3.45Å; W1094-R1126 HydrophobicContact CH2-CB 3.95Å; W1094-R1126 HydrophobicContact CH2-CG 4.25Å; W1094-R1126 HydrophobicContact CZ3-CB 3.83Å; W1094-R1126 HydrophobicContact CZ3-CG 3.81Å
1095L87Confident87.6Confident84 Ų8453.9 Ų53.944%0.4427%0.272SS..Hα-helixtrans-63.5-41.6177.5-66169.4000111.5D1091 L1092 F1097 F1099D1091-L1095 WeakPolarHBondContact O-CG 3.18Å; D1091-L1095 PolarHBondContact O-N 2.81Å; L1092-L1095 PolarHBondContact O-N 2.95Å; L1095-F1097 VanDerWaalsContact C-N 3.31Å; L1095-F1097 PolarHBondContact O-N 3.49Å; L1095-F1099 HydrophobicContact CB-CD2 4.49Å; L1095-F1099 HydrophobicContact CD2-CD2 4.33Å; L1095-F1099 HydrophobicContact CD2-CE2 3.91Å; L1095-F1099 WeakPolarHBondContact O-CB 3.41Å; L1095-F1099 WeakPolarHBondContact O-CD2 3.49Å; L1095-F1099 PolarHBondContact O-N 3.45Å
1096Q87Confident87.5Confident61 Ų6157.5 Ų57.529%0.28529%0.289SS..Hα-helixtrans-60.9-40171.8-74.4175.8-700111.8M1022 L1092 W1094 S1100 V1101M1022-Q1096 HydrophobicContact CE-CB 4.33Å; L1092-Q1096 HydrophobicContact CD1-CG 4.48Å; L1092-Q1096 HydrophobicContact CG-CG 4.48Å; L1092-Q1096 WeakPolarHBondContact O-CB 3.46Å; L1092-Q1096 WeakPolarHBondContact O-CG 3.18Å; L1092-Q1096 PolarHBondContact O-N 3.15Å; W1094-Q1096 PolarHBondContact O-N 2.88Å; Q1096-S1100 WeakPolarHBondContact O-CA 3.41Å; Q1096-S1100 VanDerWaalsContact O-CB 3.31Å; Q1096-S1100 WeakPolarHBondContact O-CB 3.39Å; Q1096-S1100 PolarHBondContact O-N 2.79Å; Q1096-V1101 PolarHBondContact O-N 2.98Å
1097F90.7Very high87.3Confident2 Ų259.2 Ų59.21%0.00930%0.303CS..Iπ-helixtrans-63-57.5176.6-178.6-97.9000112I1045 V1081 F1083 S1093 W1094 L1095 F1099 V1101 R1102 M1105 F1124I1045-F1097 HydrophobicContact CD1-CD2 3.74Å; I1045-F1097 HydrophobicContact CD1-CE2 3.63Å; I1045-F1097 HydrophobicContact CG1-CD2 4.18Å; I1045-F1097 HydrophobicContact CG1-CE2 3.95Å; V1081-F1097 HydrophobicContact CG1-CZ 4.17Å; F1083-F1097 HydrophobicContact CB-CD1 4.43Å; F1083-F1097 HydrophobicContact CB-CE1 4.29Å; F1083-F1097 HydrophobicContact CD2-CB 3.77Å; F1083-F1097 AromaticContact CD2-CD1 3.81Å; F1083-F1097 HydrophobicContact CD2-CD1 3.81Å; F1083-F1097 AromaticContact CD2-CD2 3.66Å; F1083-F1097 HydrophobicContact CD2-CD2 3.66Å; F1083-F1097 HydrophobicContact CD2-CE1 4.3Å; F1083-F1097 HydrophobicContact CD2-CE2 4.18Å; F1083-F1097 AromaticContact CD2-CG 3.45Å; F1083-F1097 HydrophobicContact CD2-CG 3.45Å; F1083-F1097 VanDerWaalsContact CD2-CG 3.45Å; F1083-F1097 HydrophobicContact CD2-CZ 4.47Å; F1083-F1097 HydrophobicContact CE2-CB 3.51Å; F1083-F1097 HydrophobicContact CE2-CD1 4.42Å; F1083-F1097 HydrophobicContact CE2-CD2 4.06Å; F1083-F1097 AromaticContact CE2-CG 3.74Å; F1083-F1097 HydrophobicContact CE2-CG 3.74Å; F1083-F1097 HydrophobicContact CG-CD1 4.33Å; F1083-F1097 HydrophobicContact CG-CG 4.39Å; F1083-F1097 HydrophobicContact CZ-CB 4.35Å; S1093-F1097 WeakPolarHBondContact O-CB 3.4Å; S1093-F1097 PolarHBondContact O-N 3.27Å; S1093-F1097 VanDerWaalsContact O-N 3.09Å; W1094-F1097 HydrophobicContact CE3-CD1 4.11Å; W1094-F1097 HydrophobicContact CH2-CD1 4.36Å; W1094-F1097 AromaticContact CZ3-CD1 3.69Å; W1094-F1097 HydrophobicContact CZ3-CD1 3.69Å; W1094-F1097 HydrophobicContact CZ3-CE1 4.15Å; W1094-F1097 WeakPolarHBondContact O-CB 3.48Å; W1094-F1097 PolarHBondContact O-N 3.41Å; W1094-F1097 VanDerWaalsContact O-N 3.15Å; L1095-F1097 VanDerWaalsContact C-N 3.31Å; L1095-F1097 PolarHBondContact O-N 3.49Å; F1097-F1099 PolarHBondContact O-N 2.71Å; F1097-V1101 HydrophobicContact CD2-CB 3.72Å; F1097-V1101 HydrophobicContact CD2-CG1 3.61Å; F1097-V1101 HydrophobicContact CD2-CG2 4.23Å; F1097-V1101 HydrophobicContact CE2-CB 4.23Å; F1097-V1101 HydrophobicContact CE2-CG1 3.69Å; F1097-V1101 HydrophobicContact CG-CB 4.34Å; F1097-V1101 WeakPolarHBondContact O-CA 3.44Å; F1097-V1101 WeakPolarHBondContact O-CB 3.42Å; F1097-V1101 PolarHBondContact O-N 2.88Å; F1097-R1102 PolarHBondContact O-N 3.49Å; F1097-M1105 HydrophobicContact CE2-SD 4.04Å; F1097-M1105 HydrophobicContact CZ-SD 4.49Å; F1097-F1124 HydrophobicContact CE1-CD1 4.1Å; F1097-F1124 AromaticContact CZ-CD1 3.83Å; F1097-F1124 HydrophobicContact CZ-CD1 3.83Å; F1097-F1124 HydrophobicContact CZ-CE1 4Å
1098E89.1Confident87.3Confident58 Ų5865.5 Ų65.527%0.27133%0.327SS..Iπ-helixtrans-65.2-39.3-173.8-169.862.5-156.600112.4W1094 R1102W1094-E1098 WeakPolarHBondContact CH2-OE2 3.38Å; W1094-E1098 HydrophobicContact CZ2-CB 4.1Å; W1094-E1098 HydrophobicContact CZ2-CG 4.21Å; W1094-E1098 PolarHBondContact O-N 2.67Å; E1098-R1102 VanDerWaalsContact CD-NH1 3.27Å; E1098-R1102 VanDerWaalsContact OE1-CD 3.25Å; E1098-R1102 WeakPolarHBondContact OE1-CD 3.31Å; E1098-R1102 IonicContact OE1-CZ 2.71Å; E1098-R1102 IonicContact OE1-NE 3.32Å; E1098-R1102 IonicContact OE1-NH1 2.77Å; E1098-R1102 PolarHBondContact OE1-NH1 2.76Å; E1098-R1102 WeakPolarHBondContact OE2-CD 3.44Å; E1098-R1102 IonicContact OE2-CZ 2.89Å; E1098-R1102 IonicContact OE2-NH1 3.15Å; E1098-R1102 PolarHBondContact OE2-NH1 2.91Å
1099F86.2Confident87.4Confident160 Ų16063 Ų6370%0.70232%0.316SS*.Iπ-helixtrans-94-14.1-176.2-67.5-66.8000115.6L1095 F1097L1095-F1099 HydrophobicContact CB-CD2 4.49Å; L1095-F1099 HydrophobicContact CD2-CD2 4.33Å; L1095-F1099 HydrophobicContact CD2-CE2 3.91Å; L1095-F1099 WeakPolarHBondContact O-CB 3.41Å; L1095-F1099 WeakPolarHBondContact O-CD2 3.49Å; L1095-F1099 PolarHBondContact O-N 3.45Å; F1097-F1099 PolarHBondContact O-N 2.71Å
1100S83.9Confident87.3Confident93 Ų9364.4 Ų64.465%0.6533%0.325SS*.Iπ-helixtrans-133.9-28.5-176.6-55.80000115.3Q1096Q1096-S1100 WeakPolarHBondContact O-CA 3.41Å; Q1096-S1100 VanDerWaalsContact O-CB 3.31Å; Q1096-S1100 WeakPolarHBondContact O-CB 3.39Å; Q1096-S1100 PolarHBondContact O-N 2.79Å
1101V86.6Confident87.3Confident3 Ų367.5 Ų67.52%0.01833%0.332CS..Iπ-helixtrans-90-46.9178.2176.40000111.7M1022 W1027 Q1096 F1097 K1103 D1104 M1105M1022-V1101 HydrophobicContact CE-CG2 3.93Å; M1022-V1101 HydrophobicContact SD-CG2 4.28Å; W1027-V1101 HydrophobicContact CD2-CG1 4.2Å; W1027-V1101 HydrophobicContact CE3-CB 4.18Å; W1027-V1101 HydrophobicContact CE3-CG1 3.53Å; W1027-V1101 HydrophobicContact CE3-CG2 3.72Å; W1027-V1101 HydrophobicContact CH2-CG1 4.05Å; W1027-V1101 HydrophobicContact CZ3-CB 3.94Å; W1027-V1101 HydrophobicContact CZ3-CG1 3.47Å; W1027-V1101 VanDerWaalsContact CZ3-CG1 3.47Å; W1027-V1101 HydrophobicContact CZ3-CG2 3.72Å; Q1096-V1101 PolarHBondContact O-N 2.98Å; F1097-V1101 HydrophobicContact CD2-CB 3.72Å; F1097-V1101 HydrophobicContact CD2-CG1 3.61Å; F1097-V1101 HydrophobicContact CD2-CG2 4.23Å; F1097-V1101 HydrophobicContact CE2-CB 4.23Å; F1097-V1101 HydrophobicContact CE2-CG1 3.69Å; F1097-V1101 HydrophobicContact CG-CB 4.34Å; F1097-V1101 WeakPolarHBondContact O-CA 3.44Å; F1097-V1101 WeakPolarHBondContact O-CB 3.42Å; F1097-V1101 PolarHBondContact O-N 2.88Å; V1101-K1103 PolarHBondContact O-N 2.89Å; V1101-D1104 PolarHBondContact O-N 3.45Å; V1101-M1105 HydrophobicContact CG1-CB 4.15Å; V1101-M1105 HydrophobicContact CG1-SD 4.08Å; V1101-M1105 WeakPolarHBondContact O-CB 3.26Å; V1101-M1105 PolarHBondContact O-N 2.76Å
1102R90.7Very high87Confident71 Ų7165.8 Ų65.827%0.26832%0.323SS..Hα-helixtrans-52.7-47-163.4-177.8178.2-179.1136.23.8114F1097 E1098 M1105 Q1106 F1124F1097-R1102 PolarHBondContact O-N 3.49Å; E1098-R1102 VanDerWaalsContact CD-NH1 3.27Å; E1098-R1102 VanDerWaalsContact OE1-CD 3.25Å; E1098-R1102 WeakPolarHBondContact OE1-CD 3.31Å; E1098-R1102 IonicContact OE1-CZ 2.71Å; E1098-R1102 IonicContact OE1-NE 3.32Å; E1098-R1102 IonicContact OE1-NH1 2.77Å; E1098-R1102 PolarHBondContact OE1-NH1 2.76Å; E1098-R1102 WeakPolarHBondContact OE2-CD 3.44Å; E1098-R1102 IonicContact OE2-CZ 2.89Å; E1098-R1102 IonicContact OE2-NH1 3.15Å; E1098-R1102 PolarHBondContact OE2-NH1 2.91Å; R1102-M1105 PolarHBondContact O-N 3.32Å; R1102-Q1106 VanDerWaalsContact O-CB 3.27Å; R1102-Q1106 WeakPolarHBondContact O-CB 3.33Å; R1102-Q1106 PolarHBondContact O-N 3.3Å; R1102-F1124 HydrophobicContact CG-CD1 4.31Å; R1102-F1124 HydrophobicContact CG-CD2 4.49Å; R1102-F1124 HydrophobicContact CG-CE1 4.1Å; R1102-F1124 HydrophobicContact CG-CE2 4.28Å; R1102-F1124 HydrophobicContact CG-CZ 4.08Å
1103K87.6Confident86.3Confident137 Ų13766.6 Ų66.660%0.59633%0.334SS*.Hα-helixtrans-64.1-49.2-178.2-75.6-163.8169.7-158.70112.7D767 V1101 M1105 Q1106 A1107D767-K1103 IonicContact OD1-NZ 3.2Å; V1101-K1103 PolarHBondContact O-N 2.89Å; K1103-M1105 VanDerWaalsContact C-N 3.33Å; K1103-M1105 PolarHBondContact O-N 2.92Å; K1103-Q1106 PolarHBondContact O-N 3.03Å; K1103-A1107 WeakPolarHBondContact O-CB 3.47Å; K1103-A1107 PolarHBondContact O-N 2.84Å
1104D87.1Confident85.6Confident60 Ų6071.8 Ų71.832%0.32136%0.356SS..Hα-helixtrans-62.6-42.7178.2-178.529.1000110.7W1027 V1101 Q1106 A1107 R1108W1027-D1104 WeakPolarHBondContact CH2-OD2 3.32Å; V1101-D1104 PolarHBondContact O-N 3.45Å; D1104-Q1106 PolarHBondContact O-N 3.33Å; D1104-A1107 PolarHBondContact O-N 3.5Å; D1104-R1108 VanDerWaalsContact CG-NH2 3.3Å; D1104-R1108 VanDerWaalsContact O-CG 3.31Å; D1104-R1108 WeakPolarHBondContact O-CG 3.43Å; D1104-R1108 PolarHBondContact O-N 3.32Å; D1104-R1108 IonicContact OD1-CZ 3.85Å; D1104-R1108 IonicContact OD1-NE 3.08Å; D1104-R1108 PolarHBondContact OD1-NE 3.46Å; D1104-R1108 IonicContact OD1-NH2 2.93Å; D1104-R1108 PolarHBondContact OD1-NH2 3Å; D1104-R1108 VanDerWaalsContact OD1-NH2 3.08Å; D1104-R1108 IonicContact OD2-CZ 3.1Å; D1104-R1108 IonicContact OD2-NE 2.68Å; D1104-R1108 PolarHBondContact OD2-NE 3.34Å; D1104-R1108 IonicContact OD2-NH2 2.96Å; D1104-R1108 PolarHBondContact OD2-NH2 3.42Å
1105M90.5Very high84.5Confident8 Ų872.6 Ų72.64%0.03936%0.363CS..Hα-helixtrans-64.2-41.3176.2-162.6168.6-167.600112.4I1045 I1047 V1081 F1097 V1101 R1102 K1103 L1109I1045-M1105 HydrophobicContact CG2-CE 3.86Å; I1045-M1105 HydrophobicContact CG2-SD 4.36Å; I1047-M1105 HydrophobicContact CD1-CE 3.44Å; I1047-M1105 VanDerWaalsContact CD1-CE 3.44Å; I1047-M1105 HydrophobicContact CG1-CE 3.74Å; V1081-M1105 HydrophobicContact CG1-CE 3.89Å; V1081-M1105 HydrophobicContact CG1-SD 3.95Å; V1081-M1105 HydrophobicContact CG2-CE 4.45Å; F1097-M1105 HydrophobicContact CE2-SD 4.04Å; F1097-M1105 HydrophobicContact CZ-SD 4.49Å; V1101-M1105 HydrophobicContact CG1-CB 4.15Å; V1101-M1105 HydrophobicContact CG1-SD 4.08Å; V1101-M1105 WeakPolarHBondContact O-CB 3.26Å; V1101-M1105 PolarHBondContact O-N 2.76Å; R1102-M1105 PolarHBondContact O-N 3.32Å; K1103-M1105 VanDerWaalsContact C-N 3.33Å; K1103-M1105 PolarHBondContact O-N 2.92Å; M1105-L1109 HydrophobicContact CE-CD1 4.14Å; M1105-L1109 HydrophobicContact CG-CD1 3.81Å; M1105-L1109 HydrophobicContact CG-CG 4.48Å; M1105-L1109 WeakPolarHBondContact O-CB 3.45Å; M1105-L1109 VanDerWaalsContact O-CG 3.27Å; M1105-L1109 WeakPolarHBondContact O-CG 3.4Å; M1105-L1109 PolarHBondContact O-N 2.89Å
1106Q91.6Very high83.5Confident85 Ų8575 Ų7540%0.39738%0.381SS..Hα-helixtrans-64.9-45.4174.5-171.9170.3-11.100111.4R1102 K1103 D1104 R1108 L1109 S1110 F1124R1102-Q1106 VanDerWaalsContact O-CB 3.27Å; R1102-Q1106 WeakPolarHBondContact O-CB 3.33Å; R1102-Q1106 PolarHBondContact O-N 3.3Å; K1103-Q1106 PolarHBondContact O-N 3.03Å; D1104-Q1106 PolarHBondContact O-N 3.33Å; Q1106-R1108 VanDerWaalsContact C-N 3.28Å; Q1106-R1108 PolarHBondContact O-N 3.03Å; Q1106-L1109 PolarHBondContact O-N 3.05Å; Q1106-S1110 WeakPolarHBondContact O-CB 3.4Å; Q1106-S1110 PolarHBondContact O-N 3.03Å; Q1106-S1110 PolarHBondContact O-OG 2.88Å; Q1106-F1124 HydrophobicContact CB-CE2 3.82Å; Q1106-F1124 HydrophobicContact CB-CZ 3.81Å; Q1106-F1124 HydrophobicContact CG-CE2 4.01Å; Q1106-F1124 HydrophobicContact CG-CZ 4.47Å
1107A86.8Confident82.4Confident39 Ų3977 Ų7732%0.32240%0.402SS..Hα-helixtrans-63.8-30.3-179.900000113.3K1103 D1104 Q1111K1103-A1107 WeakPolarHBondContact O-CB 3.47Å; K1103-A1107 PolarHBondContact O-N 2.84Å; D1104-A1107 PolarHBondContact O-N 3.5Å; A1107-Q1111 WeakPolarHBondContact O-CG 3.48Å; A1107-Q1111 PolarHBondContact O-NE2 3Å
1108R88Confident81.4Confident149 Ų14982.5 Ų82.556%0.56242%0.423SS*.Hα-helixtrans-80.2-42.9173.4-66.8175.8-160.8-144.311.9112.7D1104 Q1106 Q1111D1104-R1108 VanDerWaalsContact CG-NH2 3.3Å; D1104-R1108 VanDerWaalsContact O-CG 3.31Å; D1104-R1108 WeakPolarHBondContact O-CG 3.43Å; D1104-R1108 PolarHBondContact O-N 3.32Å; D1104-R1108 IonicContact OD1-CZ 3.85Å; D1104-R1108 IonicContact OD1-NE 3.08Å; D1104-R1108 PolarHBondContact OD1-NE 3.46Å; D1104-R1108 IonicContact OD1-NH2 2.93Å; D1104-R1108 PolarHBondContact OD1-NH2 3Å; D1104-R1108 VanDerWaalsContact OD1-NH2 3.08Å; D1104-R1108 IonicContact OD2-CZ 3.1Å; D1104-R1108 IonicContact OD2-NE 2.68Å; D1104-R1108 PolarHBondContact OD2-NE 3.34Å; D1104-R1108 IonicContact OD2-NH2 2.96Å; D1104-R1108 PolarHBondContact OD2-NH2 3.42Å; Q1106-R1108 VanDerWaalsContact C-N 3.28Å; Q1106-R1108 PolarHBondContact O-N 3.03Å; R1108-Q1111 PolarHBondContact O-N 3.29Å
1109L89.2Confident80.7Confident25 Ų2583.7 Ų83.713%0.13144%0.436CS..Hα-helixtrans-78.7-20.2-175.8-67.9173.8000114I1047 T1079 V1081 M1105 Q1106 Q1111 V1122I1047-L1109 HydrophobicContact CD1-CD1 4.48Å; T1079-L1109 HydrophobicContact CG2-CD1 4.12Å; T1079-L1109 HydrophobicContact CG2-CD2 4.48Å; V1081-L1109 HydrophobicContact CG2-CD1 3.53Å; M1105-L1109 HydrophobicContact CE-CD1 4.14Å; M1105-L1109 HydrophobicContact CG-CD1 3.81Å; M1105-L1109 HydrophobicContact CG-CG 4.48Å; M1105-L1109 WeakPolarHBondContact O-CB 3.45Å; M1105-L1109 VanDerWaalsContact O-CG 3.27Å; M1105-L1109 WeakPolarHBondContact O-CG 3.4Å; M1105-L1109 PolarHBondContact O-N 2.89Å; Q1106-L1109 PolarHBondContact O-N 3.05Å; L1109-Q1111 VanDerWaalsContact C-N 3.33Å; L1109-V1122 HydrophobicContact CB-CG1 4.21Å; L1109-V1122 HydrophobicContact CB-CG2 3.79Å; L1109-V1122 HydrophobicContact CD1-CG1 4.41Å
1110S87.3Confident80.5Confident29 Ų2977.6 Ų77.620%0.20341%0.41CS..THydrogen-bonded Turntrans-85.9-1.5174.468.40000113.8Q1106 N1112 P1119 L1120Q1106-S1110 WeakPolarHBondContact O-CB 3.4Å; Q1106-S1110 PolarHBondContact O-N 3.03Å; Q1106-S1110 PolarHBondContact O-OG 2.88Å; S1110-N1112 PolarHBondContact O-N 2.93Å; S1110-P1119 CarbonylContact O-C 3.37Å; S1110-P1119 VanDerWaalsContact O-CA 3.23Å; S1110-P1119 WeakPolarHBondContact O-CA 3.49Å; S1110-P1119 WeakPolarHBondContact O-CB 3.44Å; S1110-L1120 WeakPolarHBondContact CB-O 3.31Å; S1110-L1120 PolarHBondContact O-N 2.87Å
1111Q81.6Confident80.6Confident134 Ų13476.2 Ų76.263%0.62639%0.393SS*.  trans-72111.5174.5-74.5169.532.800109.5A1107 R1108 L1109 P1113A1107-Q1111 WeakPolarHBondContact O-CG 3.48Å; A1107-Q1111 PolarHBondContact O-NE2 3Å; R1108-Q1111 PolarHBondContact O-N 3.29Å; L1109-Q1111 VanDerWaalsContact C-N 3.33Å; Q1111-P1113 WeakPolarHBondContact O-CD 3.38Å
1112N77.4Confident80.8Confident15 Ų1577.2 Ų77.28%0.0840%0.399CS..  trans-82.3116.7168.5-178.4-16.3000108.4S1110 E1114 N1115 R1118 L1120S1110-N1112 PolarHBondContact O-N 2.93Å; N1112-E1114 VanDerWaalsContact C-N 3.35Å; N1112-E1114 PolarHBondContact OD1-N 3.15Å; N1112-N1115 WeakPolarHBondContact CB-O 3.25Å; N1112-N1115 PolarHBondContact ND2-O 3.48Å; N1112-N1115 PolarHBondContact OD1-N 3.09Å; N1112-R1118 WeakPolarHBondContact CB-O 3.44Å; N1112-R1118 PolarHBondContact ND2-O 3.13Å; N1112-L1120 HydrophobicContact CB-CD2 4.06Å; N1112-L1120 HydrophobicContact CB-CG 3.93Å
1113P70.9Confident80.9Confident117 Ų11776.7 Ų76.776%0.7640%0.403SS*.SBendtrans-75.5-22.3-178.231.6-35.2000113.4Q1111Q1111-P1113 WeakPolarHBondContact O-CD 3.38Å
1114E69.1Low81.2Confident133 Ų13371.6 Ų71.662%0.62138%0.381SS*.SBendtrans-86.2-40.8178.7-63.8176.8173.100110.9N1112N1112-E1114 VanDerWaalsContact C-N 3.35Å; N1112-E1114 PolarHBondContact OD1-N 3.15Å
1115N66Low81.5Confident61 Ų6172 Ų7233%0.32638%0.38SS..  trans-138.794.2-178.5-170.7-16.5000113.2N1112 S1117 R1118N1112-N1115 WeakPolarHBondContact CB-O 3.25Å; N1112-N1115 PolarHBondContact ND2-O 3.48Å; N1112-N1115 PolarHBondContact OD1-N 3.09Å; N1115-S1117 PolarHBondContact O-N 3.22Å; N1115-S1117 WeakPolarHBondContact OD1-CB 3.36Å; N1115-S1117 PolarHBondContact OD1-N 3.45Å; N1115-S1117 PolarHBondContact OD1-OG 3.11Å; N1115-R1118 PolarHBondContact O-N 3Å
1116V66.3Low81.6Confident134 Ų13476.2 Ų76.281%0.81240%0.395SS*.THydrogen-bonded Turntrans-54.6-25.6178.7-177.90000113.4
1117S63.9Low81.6Confident104 Ų10472.5 Ų72.573%0.72738%0.379SS*.THydrogen-bonded Turntrans-77.4-19178.675.70000114.1N1115 P1119N1115-S1117 PolarHBondContact O-N 3.22Å; N1115-S1117 WeakPolarHBondContact OD1-CB 3.36Å; N1115-S1117 PolarHBondContact OD1-N 3.45Å; N1115-S1117 PolarHBondContact OD1-OG 3.11Å; S1117-P1119 WeakPolarHBondContact O-CD 3.2Å
1118R68.9Low81.8Confident117 Ų11774.8 Ų74.844%0.44238%0.381SS..SBendtrans-120.783.1-176-166.4176.5-170.1-179.53.8110.7N1112 N1115N1112-R1118 WeakPolarHBondContact CB-O 3.44Å; N1112-R1118 PolarHBondContact ND2-O 3.13Å; N1115-R1118 PolarHBondContact O-N 3Å
1119P74.7Confident82Confident84 Ų8468 Ų6855%0.54536%0.356SS..PPolyproline II helixtrans-64.4148.4-175.127-35.4000112.8S1110 S1117S1110-P1119 CarbonylContact O-C 3.37Å; S1110-P1119 VanDerWaalsContact O-CA 3.23Å; S1110-P1119 WeakPolarHBondContact O-CA 3.49Å; S1110-P1119 WeakPolarHBondContact O-CB 3.44Å; S1117-P1119 WeakPolarHBondContact O-CD 3.2Å
1120L81.3Confident81.9Confident31 Ų3167 Ų6716%0.16235%0.35CS..PPolyproline II helixtrans-72.3149.5179.7-59.3179.7000112S1110 N1112 V1122S1110-L1120 WeakPolarHBondContact CB-O 3.31Å; S1110-L1120 PolarHBondContact O-N 2.87Å; N1112-L1120 HydrophobicContact CB-CD2 4.06Å; N1112-L1120 HydrophobicContact CB-CG 3.93Å; L1120-V1122 PolarHBondContact O-N 2.84Å
1121K85.9Confident82Confident65 Ų6569.2 Ų69.228%0.28336%0.358SS..EExtended strand (participates in β ladder)trans-81.7116-175.5-170.9177.2-179.1-179.80110.2D1052 D1054 K1078 T1079D1052-K1121 WeakPolarHBondContact OD1-CD 3.34Å; D1052-K1121 IonicContact OD1-NZ 3.87Å; D1052-K1121 PolarHBondContact OD1-NZ 2.88Å; D1052-K1121 WeakPolarHBondContact OD2-CD 3.32Å; D1052-K1121 IonicContact OD2-NZ 2.8Å; D1052-K1121 PolarHBondContact OD2-NZ 3.28Å; D1054-K1121 IonicContact OD1-NZ 3.4Å; D1054-K1121 PolarHBondContact OD1-NZ 3Å; D1054-K1121 IonicContact OD2-NZ 3.94Å; D1054-K1121 PolarHBondContact OD2-NZ 2.81Å; K1078-K1121 WeakPolarHBondContact CA-O 3.39Å; K1078-K1121 HydrophobicContact CD-CD 4.35Å; K1078-K1121 HydrophobicContact CG-CD 4.29Å; K1078-K1121 HydrophobicContact CG-CG 4.48Å; T1079-K1121 PolarHBondContact N-O 2.99Å
1122V91.3Very high82.4Confident24 Ų2463.6 Ų63.615%0.14533%0.331CS..EExtended strand (participates in β ladder)trans-118.1122.4-177.1-171.50000110.9T1079 V1081 L1109 L1120 F1124T1079-V1122 CarbonylContact O-C 3.46Å; T1079-V1122 WeakPolarHBondContact O-CA 3.42Å; V1081-V1122 HydrophobicContact CG2-CG1 4.25Å; L1109-V1122 HydrophobicContact CB-CG1 4.21Å; L1109-V1122 HydrophobicContact CB-CG2 3.79Å; L1109-V1122 HydrophobicContact CD1-CG1 4.41Å; L1120-V1122 PolarHBondContact O-N 2.84Å; V1122-F1124 HydrophobicContact CG1-CD2 4.36Å; V1122-F1124 HydrophobicContact CG1-CE2 3.7Å; V1122-F1124 HydrophobicContact CG1-CZ 3.98Å
1123V92.4Very high83Confident60 Ų6065.5 Ų65.536%0.36434%0.341SS..EExtended strand (participates in β ladder)trans-116.3137.9-179.8-177.50000109.8T1079 V1080 V1081T1079-V1123 PolarHBondContact O-N 3.25Å; V1080-V1123 CarbonylContact C-O 3.56Å; V1080-V1123 WeakPolarHBondContact CA-O 3.41Å; V1080-V1123 HydrophobicContact CG2-CB 4.38Å; V1081-V1123 PolarHBondContact N-O 3.35Å
1124F94.3Very high83.9Confident30 Ų3063 Ų6313%0.13232%0.324CS..EExtended strand (participates in β ladder)trans-113.6127.6177.9-67.3-95000110.8V1081 F1097 R1102 Q1106 V1122V1081-F1124 HydrophobicContact CB-CD1 3.68Å; V1081-F1124 HydrophobicContact CB-CE1 3.86Å; V1081-F1124 HydrophobicContact CB-CG 4.4Å; V1081-F1124 HydrophobicContact CG1-CD1 3.88Å; V1081-F1124 HydrophobicContact CG1-CE1 3.92Å; V1081-F1124 HydrophobicContact CG2-CD1 4.3Å; V1081-F1124 HydrophobicContact CG2-CE1 4.03Å; V1081-F1124 HydrophobicContact CG2-CZ 4.49Å; V1081-F1124 WeakPolarHBondContact O-CA 3.49Å; F1097-F1124 HydrophobicContact CE1-CD1 4.1Å; F1097-F1124 AromaticContact CZ-CD1 3.83Å; F1097-F1124 HydrophobicContact CZ-CD1 3.83Å; F1097-F1124 HydrophobicContact CZ-CE1 4Å; R1102-F1124 HydrophobicContact CG-CD1 4.31Å; R1102-F1124 HydrophobicContact CG-CD2 4.49Å; R1102-F1124 HydrophobicContact CG-CE1 4.1Å; R1102-F1124 HydrophobicContact CG-CE2 4.28Å; R1102-F1124 HydrophobicContact CG-CZ 4.08Å; Q1106-F1124 HydrophobicContact CB-CE2 3.82Å; Q1106-F1124 HydrophobicContact CB-CZ 3.81Å; Q1106-F1124 HydrophobicContact CG-CE2 4.01Å; Q1106-F1124 HydrophobicContact CG-CZ 4.47Å; V1122-F1124 HydrophobicContact CG1-CD2 4.36Å; V1122-F1124 HydrophobicContact CG1-CE2 3.7Å; V1122-F1124 HydrophobicContact CG1-CZ 3.98Å
1125K93.6Very high84.9Confident67 Ų6758.2 Ų58.229%0.29130%0.302SS..EExtended strand (participates in β ladder)trans-117.1141.6174.4-74.6176.5171.1-174.20109.9V1080 V1081 Y1082 F1083 D1133V1080-K1125 HydrophobicContact CG1-CD 3.92Å; V1080-K1125 HydrophobicContact CG1-CG 4.2Å; V1081-K1125 PolarHBondContact O-N 3.27Å; Y1082-K1125 CarbonylContact C-O 3.56Å; Y1082-K1125 WeakPolarHBondContact CA-O 3.45Å; Y1082-K1125 HydrophobicContact CD1-CB 3.94Å; Y1082-K1125 HydrophobicContact CD1-CD 3.6Å; Y1082-K1125 HydrophobicContact CD1-CG 4.44Å; Y1082-K1125 HydrophobicContact CE1-CB 4.4Å; Y1082-K1125 HydrophobicContact CE1-CD 3.19Å; Y1082-K1125 HydrophobicContact CE1-CG 4.42Å; Y1082-K1125 HydrophobicContact CG-CB 4.47Å; Y1082-K1125 PolarHBondContact OH-NZ 2.74Å; F1083-K1125 PolarHBondContact N-O 2.99Å; K1125-D1133 IonicContact NZ-OD1 3Å; K1125-D1133 IonicContact NZ-OD2 2.68Å; K1125-D1133 PolarHBondContact NZ-OD2 2.92Å
1126R93.9Very high86.2Confident97 Ų9755.3 Ų55.337%0.36629%0.287SS..EExtended strand (participates in β ladder)trans-104.2132.7166.3-174.9-176179.8-179.30.1109.1F1083 D1091 W1094F1083-R1126 HydrophobicContact CD1-CG 4.37Å; D1091-R1126 IonicContact OD1-NH2 3.41Å; D1091-R1126 PolarHBondContact OD1-NH2 2.67Å; W1094-R1126 VanDerWaalsContact CD1-NH1 3.26Å; W1094-R1126 HydrophobicContact CD2-CG 4.37Å; W1094-R1126 HydrophobicContact CE3-CB 4.41Å; W1094-R1126 HydrophobicContact CE3-CG 3.88Å; W1094-R1126 VanDerWaalsContact CG-CZ 3.45Å; W1094-R1126 HydrophobicContact CH2-CB 3.95Å; W1094-R1126 HydrophobicContact CH2-CG 4.25Å; W1094-R1126 HydrophobicContact CZ3-CB 3.83Å; W1094-R1126 HydrophobicContact CZ3-CG 3.81Å
1127V91.4Very high87.5Confident8 Ų849.1 Ų49.15%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-126.5148.6-179.2-1780000108.6Y1082 F1083 W1084 Q1085 E1132Y1082-V1127 HydrophobicContact CD1-CG2 3.9Å; F1083-V1127 PolarHBondContact O-N 3.32Å; F1083-V1127 VanDerWaalsContact O-O 3.1Å; W1084-V1127 WeakPolarHBondContact CA-O 3.47Å; Q1085-V1127 PolarHBondContact N-O 2.71Å; V1127-E1132 HydrophobicContact CG1-CB 4.15Å; V1127-E1132 HydrophobicContact CG1-CG 3.87Å
1128K90.5Very high88.9Confident86 Ų8644.2 Ų44.237%0.37421%0.214SC..EExtended strand (participates in β ladder)trans-120.4155.5171.6-66-175.8176.3-175.40110Q1085 Q1130 Q1131Q1085-K1128 HydrophobicContact CB-CG 4.49Å; K1128-Q1130 PolarHBondContact O-N 3.3Å; K1128-Q1131 HydrophobicContact CB-CB 4.27Å; K1128-Q1131 CarbonylContact O-C 3.56Å; K1128-Q1131 WeakPolarHBondContact O-CA 3.02Å; K1128-Q1131 PolarHBondContact O-N 3.38Å
1129Q91.4Very high89.9Confident7 Ų738.6 Ų38.63%0.03319%0.193CC..THydrogen-bonded Turntrans-49.1122.7173174170.2-16.100112.2W1084 Q1085 R1087 Q1131 E1132 I1146W1084-Q1129 HydrophobicContact CH2-CB 3.96Å; W1084-Q1129 HydrophobicContact CH2-CG 4.31Å; W1084-Q1129 HydrophobicContact CZ2-CB 3.5Å; W1084-Q1129 HydrophobicContact CZ2-CG 3.89Å; Q1085-Q1129 PolarHBondContact O-N 3.04Å; R1087-Q1129 HydrophobicContact CB-CB 4.08Å; R1087-Q1129 VanDerWaalsContact CB-CD 3.49Å; R1087-Q1129 HydrophobicContact CB-CG 4.1Å; Q1129-Q1131 PolarHBondContact O-N 3.12Å; Q1129-E1132 WeakPolarHBondContact CA-OE1 3.27Å; Q1129-I1146 HydrophobicContact CG-CD1 4.04Å
1130Q87.9Confident90.7Very high4 Ų434.8 Ų34.82%0.01917%0.168CC..THydrogen-bonded Turntrans65.216.6-176-53.4172.312400114.5K1128 E1132 I1180 C1302 H1375 G1376K1128-Q1130 PolarHBondContact O-N 3.3Å; Q1130-E1132 WeakPolarHBondContact CA-OE2 3.45Å; Q1130-E1132 VanDerWaalsContact N-CD 3.3Å; Q1130-E1132 PolarHBondContact N-OE1 3.18Å; Q1130-E1132 PolarHBondContact N-OE2 3.25Å; Q1130-E1132 VanDerWaalsContact N-OE2 3.14Å; Q1130-I1180 HydrophobicContact CG-CD1 4.21Å; Q1130-C1302 HydrophobicContact CB-CB 3.48Å; Q1130-C1302 VanDerWaalsContact CB-CB 3.48Å; Q1130-C1302 WeakPolarHBondContact O-CB 3.36Å; Q1130-H1375 PolarHBondContact NE2-O 3.2Å; Q1130-H1375 VanDerWaalsContact OE1-CB 3.23Å; Q1130-H1375 PolarHBondContact OE1-O 3.29Å; Q1130-H1375 VanDerWaalsContact OE1-O 3.07Å; Q1130-G1376 VanDerWaalsContact OE1-N 3.13Å
1131Q88.2Confident91.1Very high76 Ų7635.4 Ų35.436%0.35517%0.17SC..  trans-12635.1166.5-61.6-174.8-39.600109.8K1128 Q1129 C1302 D1305K1128-Q1131 HydrophobicContact CB-CB 4.27Å; K1128-Q1131 CarbonylContact O-C 3.56Å; K1128-Q1131 WeakPolarHBondContact O-CA 3.02Å; K1128-Q1131 PolarHBondContact O-N 3.38Å; Q1129-Q1131 PolarHBondContact O-N 3.12Å; Q1131-C1302 VanDerWaalsContact CG-SG 3.58Å; Q1131-D1305 PolarHBondContact NE2-OD1 3.5Å; Q1131-D1305 VanDerWaalsContact NE2-OD1 3.13Å
1132E91.5Very high91.4Very high16 Ų1633.9 Ų33.98%0.07516%0.163CC..  trans-70.6142.6171.8-57.280.9-164.100111.6W1084 V1127 Q1129 Q1130 F1136 L1137 F1144 R1178W1084-E1132 PolarHBondContact NE1-OE1 2.97Å; V1127-E1132 HydrophobicContact CG1-CB 4.15Å; V1127-E1132 HydrophobicContact CG1-CG 3.87Å; Q1129-E1132 WeakPolarHBondContact CA-OE1 3.27Å; Q1130-E1132 WeakPolarHBondContact CA-OE2 3.45Å; Q1130-E1132 VanDerWaalsContact N-CD 3.3Å; Q1130-E1132 PolarHBondContact N-OE1 3.18Å; Q1130-E1132 PolarHBondContact N-OE2 3.25Å; Q1130-E1132 VanDerWaalsContact N-OE2 3.14Å; E1132-F1136 HydrophobicContact CB-CD1 3.72Å; E1132-F1136 HydrophobicContact CB-CE1 4.22Å; E1132-F1136 HydrophobicContact CG-CD1 3.65Å; E1132-F1136 HydrophobicContact CG-CE1 3.6Å; E1132-L1137 HydrophobicContact CB-CD1 4.02Å; E1132-L1137 HydrophobicContact CB-CD2 3.75Å; E1132-L1137 HydrophobicContact CB-CG 3.66Å; E1132-L1137 HydrophobicContact CG-CD2 3.9Å; E1132-L1137 HydrophobicContact CG-CG 4.38Å; E1132-F1144 HydrophobicContact CG-CE1 4.37Å; E1132-F1144 HydrophobicContact CG-CZ 4.23Å; E1132-R1178 IonicContact OE2-CZ 3.99Å; E1132-R1178 VanDerWaalsContact OE2-CZ 3.24Å; E1132-R1178 IonicContact OE2-NE 2.88Å; E1132-R1178 PolarHBondContact OE2-NE 3.08Å; E1132-R1178 IonicContact OE2-NH2 3.83Å; E1132-R1178 PolarHBondContact OE2-NH2 3.44Å
1133D89.4Confident91.4Very high54 Ų5433.3 Ų33.329%0.28916%0.158SC..  trans-77.4159168.474.745.2000111.2K1125 M1135 F1136 L1137K1125-D1133 IonicContact NZ-OD1 3Å; K1125-D1133 IonicContact NZ-OD2 2.68Å; K1125-D1133 PolarHBondContact NZ-OD2 2.92Å; D1133-M1135 VanDerWaalsContact C-N 3.27Å; D1133-M1135 PolarHBondContact O-N 2.84Å; D1133-M1135 WeakPolarHBondContact OD1-CB 3.32Å; D1133-M1135 PolarHBondContact OD1-N 3.31Å; D1133-F1136 PolarHBondContact O-N 2.98Å; D1133-F1136 WeakPolarHBondContact OD1-CB 3.27Å; D1133-F1136 PolarHBondContact OD1-N 3.41Å; D1133-L1137 PolarHBondContact O-N 3.31Å; D1133-L1137 VanDerWaalsContact O-N 3.16Å
1134T89.1Confident91.5Very high64 Ų6430.5 Ų30.539%0.39314%0.142SC..Hα-helixtrans-67-28-173.448.10000113W998 A1138 I1175W998-T1134 WeakPolarHBondContact CH2-OG1 3.37Å; T1134-A1138 WeakPolarHBondContact O-CB 3.46Å; T1134-A1138 PolarHBondContact O-N 3.12Å; T1134-I1175 VanDerWaalsContact O-CG2 3.26Å; T1134-I1175 WeakPolarHBondContact O-CG2 3.43Å
1135M91.6Very high91.5Very high33 Ų3329.1 Ų29.116%0.16314%0.135CC..Hα-helixtrans-70-46.7176.7-163.2-170.6-156.500110.3W998 E1001 Y1050 D1133 L1137 A1138 H1139W998-M1135 HydrophobicContact CB-CE 4.42Å; W998-M1135 HydrophobicContact CB-CG 4.2Å; W998-M1135 HydrophobicContact CD2-CB 4.37Å; W998-M1135 HydrophobicContact CD2-CG 4.18Å; W998-M1135 HydrophobicContact CE3-CB 4.28Å; W998-M1135 HydrophobicContact CE3-CG 4.44Å; W998-M1135 HydrophobicContact CG-CE 4.39Å; W998-M1135 HydrophobicContact CG-CG 4.1Å; E1001-M1135 VanDerWaalsContact OE2-CE 3.22Å; E1001-M1135 WeakPolarHBondContact OE2-CE 3.47Å; Y1050-M1135 HydrophobicContact CD1-CE 4.14Å; Y1050-M1135 HydrophobicContact CE1-CE 3.54Å; Y1050-M1135 HydrophobicContact CE1-SD 4.36Å; D1133-M1135 VanDerWaalsContact C-N 3.27Å; D1133-M1135 PolarHBondContact O-N 2.84Å; D1133-M1135 WeakPolarHBondContact OD1-CB 3.32Å; D1133-M1135 PolarHBondContact OD1-N 3.31Å; M1135-L1137 VanDerWaalsContact C-N 3.28Å; M1135-L1137 PolarHBondContact O-N 2.88Å; M1135-A1138 PolarHBondContact O-N 3.32Å; M1135-H1139 PolarHBondContact O-CD2 2.77Å; M1135-H1139 PolarHBondContact O-N 3.35Å
1136F93.6Very high91.6Very high0 Ų026 Ų260%012%0.122CC..Hα-helixtrans-55.2-41.9173.4177.5-85000112.3L1046 Y1082 W1084 E1132 D1133 F1140 F1144L1046-F1136 HydrophobicContact CB-CE2 4.19Å; L1046-F1136 HydrophobicContact CD2-CD2 3.77Å; L1046-F1136 HydrophobicContact CD2-CE2 3.49Å; L1046-F1136 VanDerWaalsContact CD2-CE2 3.49Å; L1046-F1136 HydrophobicContact CD2-CZ 4.25Å; Y1082-F1136 HydrophobicContact CD1-CB 4.3Å; Y1082-F1136 AromaticContact CD1-CD2 3.55Å; Y1082-F1136 HydrophobicContact CD1-CD2 3.55Å; Y1082-F1136 HydrophobicContact CD1-CE2 4.34Å; Y1082-F1136 HydrophobicContact CD1-CG 4.34Å; Y1082-F1136 HydrophobicContact CD2-CD2 4.26Å; Y1082-F1136 HydrophobicContact CE1-CB 3.93Å; Y1082-F1136 AromaticContact CE1-CD2 3.98Å; Y1082-F1136 HydrophobicContact CE1-CD2 3.98Å; Y1082-F1136 HydrophobicContact CE1-CG 4.44Å; Y1082-F1136 AromaticContact CG-CD2 3.7Å; Y1082-F1136 HydrophobicContact CG-CD2 3.7Å; Y1082-F1136 HydrophobicContact CG-CE2 4.19Å; W1084-F1136 HydrophobicContact CB-CZ 4.32Å; W1084-F1136 AromaticContact CD1-CZ 3.78Å; W1084-F1136 HydrophobicContact CG-CZ 4.31Å; E1132-F1136 HydrophobicContact CB-CD1 3.72Å; E1132-F1136 HydrophobicContact CB-CE1 4.22Å; E1132-F1136 HydrophobicContact CG-CD1 3.65Å; E1132-F1136 HydrophobicContact CG-CE1 3.6Å; D1133-F1136 PolarHBondContact O-N 2.98Å; D1133-F1136 WeakPolarHBondContact OD1-CB 3.27Å; D1133-F1136 PolarHBondContact OD1-N 3.41Å; F1136-F1140 HydrophobicContact CD1-CE2 4.09Å; F1136-F1140 HydrophobicContact CE1-CD2 4.39Å; F1136-F1140 AromaticContact CE1-CE2 3.71Å; F1136-F1140 HydrophobicContact CE1-CE2 3.71Å; F1136-F1140 HydrophobicContact CE2-CE2 4.35Å; F1136-F1140 AromaticContact CZ-CE2 3.86Å; F1136-F1140 HydrophobicContact CZ-CE2 3.86Å; F1136-F1140 HydrophobicContact CZ-CZ 4.41Å; F1136-F1140 WeakPolarHBondContact O-CD2 3.31Å; F1136-F1140 WeakPolarHBondContact O-CE2 3.49Å; F1136-F1144 AromaticContact CE1-CE2 3.65Å; F1136-F1144 HydrophobicContact CE1-CE2 3.65Å; F1136-F1144 AromaticContact CE1-CZ 3.89Å; F1136-F1144 HydrophobicContact CE1-CZ 3.89Å; F1136-F1144 HydrophobicContact CZ-CE2 4.22Å
1137L93Very high91.6Very high5 Ų521.7 Ų21.73%0.02611%0.106CC..Hα-helixtrans-73.3-34.4178.6-68.8176.1000113.4E1132 D1133 M1135 H1139 F1140 F1144 I1175E1132-L1137 HydrophobicContact CB-CD1 4.02Å; E1132-L1137 HydrophobicContact CB-CD2 3.75Å; E1132-L1137 HydrophobicContact CB-CG 3.66Å; E1132-L1137 HydrophobicContact CG-CD2 3.9Å; E1132-L1137 HydrophobicContact CG-CG 4.38Å; D1133-L1137 PolarHBondContact O-N 3.31Å; D1133-L1137 VanDerWaalsContact O-N 3.16Å; M1135-L1137 VanDerWaalsContact C-N 3.28Å; M1135-L1137 PolarHBondContact O-N 2.88Å; L1137-H1139 VanDerWaalsContact C-N 3.27Å; L1137-H1139 PolarHBondContact O-N 2.95Å; L1137-F1140 PolarHBondContact O-N 3.29Å; L1137-F1144 HydrophobicContact CD2-CD1 4.24Å; L1137-F1144 HydrophobicContact CD2-CE1 4.5Å; L1137-F1144 HydrophobicContact CD2-CG 4.24Å; L1137-I1175 HydrophobicContact CB-CG2 3.89Å
1138A92.4Very high91.7Very high0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-60.1-36.3177.900000112.5M995 W998 N999 T1134 M1135 F1140 Q1141 I1175M995-A1138 HydrophobicContact CB-CB 4.37Å; M995-A1138 HydrophobicContact CG-CB 3.97Å; W998-A1138 HydrophobicContact CE3-CB 3.82Å; W998-A1138 HydrophobicContact CZ3-CB 4.47Å; N999-A1138 PolarHBondContact ND2-O 3.43Å; T1134-A1138 WeakPolarHBondContact O-CB 3.46Å; T1134-A1138 PolarHBondContact O-N 3.12Å; M1135-A1138 PolarHBondContact O-N 3.32Å; A1138-F1140 PolarHBondContact O-N 3.33Å; A1138-F1140 VanDerWaalsContact O-N 3.1Å; A1138-Q1141 PolarHBondContact O-N 3.19Å; A1138-Q1141 VanDerWaalsContact O-N 3.13Å; A1138-I1175 HydrophobicContact CB-CG2 4.25Å
1139H91.4Very high91.7Very high0 Ų019.4 Ų19.40%010%0.103CC..THydrogen-bonded Turntrans-64.2-10.1175.4-59-38.6000114.7W998 N999 I1010 L1017 Y1050 M1135 L1137W998-H1139 PolarHBondContact O-CE1 3.01Å; N999-H1139 PolarHBondContact OD1-ND1 2.71Å; I1010-H1139 WeakPolarHBondContact CD1-O 3.3Å; L1017-H1139 HydrophobicContact CD1-CB 4.33Å; L1017-H1139 HydrophobicContact CD2-CB 3.97Å; Y1050-H1139 AromaticContact CE1-CE1 3.79Å; Y1050-H1139 AromaticContact CE1-NE2 3.65Å; Y1050-H1139 AromaticContact CZ-NE2 3.61Å; Y1050-H1139 PolarHBondContact OH-NE2 2.94Å; M1135-H1139 PolarHBondContact O-CD2 2.77Å; M1135-H1139 PolarHBondContact O-N 3.35Å; L1137-H1139 VanDerWaalsContact C-N 3.27Å; L1137-H1139 PolarHBondContact O-N 2.95Å
1140F91.5Very high91.7Very high4 Ų421.6 Ų21.62%0.01811%0.113CC..THydrogen-bonded Turntrans-103.61.1175.1-66.3-75.6000114.3F1035 F1038 L1046 F1136 L1137 A1138 R1142 Q1143 F1144F1035-F1140 HydrophobicContact CE1-CD1 4.27Å; F1035-F1140 HydrophobicContact CE1-CE1 4.09Å; F1035-F1140 HydrophobicContact CZ-CE1 4.1Å; F1038-F1140 HydrophobicContact CE2-CE1 4.12Å; F1038-F1140 HydrophobicContact CE2-CZ 4.02Å; F1038-F1140 HydrophobicContact CZ-CE1 4.32Å; F1038-F1140 AromaticContact CZ-CZ 3.87Å; F1038-F1140 HydrophobicContact CZ-CZ 3.87Å; L1046-F1140 HydrophobicContact CD1-CZ 4.1Å; L1046-F1140 HydrophobicContact CD2-CE2 3.97Å; L1046-F1140 HydrophobicContact CD2-CZ 3.81Å; F1136-F1140 HydrophobicContact CD1-CE2 4.09Å; F1136-F1140 HydrophobicContact CE1-CD2 4.39Å; F1136-F1140 AromaticContact CE1-CE2 3.71Å; F1136-F1140 HydrophobicContact CE1-CE2 3.71Å; F1136-F1140 HydrophobicContact CE2-CE2 4.35Å; F1136-F1140 AromaticContact CZ-CE2 3.86Å; F1136-F1140 HydrophobicContact CZ-CE2 3.86Å; F1136-F1140 HydrophobicContact CZ-CZ 4.41Å; F1136-F1140 WeakPolarHBondContact O-CD2 3.31Å; F1136-F1140 WeakPolarHBondContact O-CE2 3.49Å; L1137-F1140 PolarHBondContact O-N 3.29Å; A1138-F1140 PolarHBondContact O-N 3.33Å; A1138-F1140 VanDerWaalsContact O-N 3.1Å; F1140-R1142 VanDerWaalsContact C-N 3.33Å; F1140-R1142 PolarHBondContact O-N 3.14Å; F1140-Q1143 WeakPolarHBondContact O-CB 3.25Å; F1140-Q1143 PolarHBondContact O-N 3.3Å; F1140-F1144 HydrophobicContact CB-CB 4.42Å; F1140-F1144 HydrophobicContact CB-CD2 4.41Å; F1140-F1144 HydrophobicContact CD1-CD2 4.35Å; F1140-F1144 AromaticContact CD2-CD2 3.66Å; F1140-F1144 HydrophobicContact CD2-CD2 3.66Å; F1140-F1144 HydrophobicContact CD2-CE2 4.07Å; F1140-F1144 AromaticContact CE2-CD2 3.96Å; F1140-F1144 HydrophobicContact CE2-CD2 3.96Å; F1140-F1144 AromaticContact CE2-CE2 3.91Å; F1140-F1144 HydrophobicContact CE2-CE2 3.91Å; F1140-F1144 AromaticContact CG-CD2 3.87Å; F1140-F1144 HydrophobicContact CG-CD2 3.87Å; F1140-F1144 HydrophobicContact CZ-CD2 4.43Å; F1140-F1144 HydrophobicContact CZ-CE2 4.32Å
1141Q89.4Confident92Very high44 Ų4422.2 Ų22.221%0.20612%0.115CC..THydrogen-bonded Turntrans46.848.2175.6-63.5174.12.100114P1006 E1007 I1010 A1138 Q1143P1006-Q1141 PolarHBondContact O-NE2 3.13Å; E1007-Q1141 PolarHBondContact O-NE2 3.37Å; E1007-Q1141 PolarHBondContact O-OE1 3.25Å; I1010-Q1141 HydrophobicContact CD1-CB 4.39Å; I1010-Q1141 HydrophobicContact CD1-CG 3.95Å; I1010-Q1141 HydrophobicContact CG1-CG 4.38Å; A1138-Q1141 PolarHBondContact O-N 3.19Å; A1138-Q1141 VanDerWaalsContact O-N 3.13Å; Q1141-Q1143 PolarHBondContact O-N 2.83Å
1142R92Very high92.1Very high32 Ų3224.8 Ų24.812%0.12112%0.122CC..THydrogen-bonded Turntrans655.5-175-56.6165.967.4171.12.2116.3M995 F1140 F1144 T1177 E1228 D1229 L1232M995-R1142 HydrophobicContact CE-CG 4.23Å; F1140-R1142 VanDerWaalsContact C-N 3.33Å; F1140-R1142 PolarHBondContact O-N 3.14Å; R1142-F1144 PolarHBondContact O-N 3.49Å; R1142-T1177 HydrophobicContact CB-CG2 4.07Å; R1142-T1177 HydrophobicContact CG-CG2 4.49Å; R1142-E1228 IonicContact CZ-OE2 3.62Å; R1142-E1228 VanDerWaalsContact CZ-OE2 3.31Å; R1142-E1228 IonicContact NH1-OE2 3.04Å; R1142-E1228 PolarHBondContact NH1-OE2 2.96Å; R1142-E1228 IonicContact NH2-OE2 2.87Å; R1142-E1228 PolarHBondContact NH2-OE2 3.21Å; R1142-D1229 IonicContact CZ-OD1 3.98Å; R1142-D1229 IonicContact NH2-OD1 3.35Å; R1142-D1229 PolarHBondContact NH2-OD1 2.95Å; R1142-L1232 HydrophobicContact CB-CD2 4.05Å
1143Q91.2Very high92.1Very high12 Ų1226.1 Ų26.16%0.05613%0.129CC..  trans-95.126.6-176.9-58.3-179.266.800114.7F1140 Q1141 I1145 L1236F1140-Q1143 WeakPolarHBondContact O-CB 3.25Å; F1140-Q1143 PolarHBondContact O-N 3.3Å; Q1141-Q1143 PolarHBondContact O-N 2.83Å; Q1143-I1145 PolarHBondContact O-N 2.85Å; Q1143-L1236 HydrophobicContact CB-CD2 4.13Å; Q1143-L1236 HydrophobicContact CG-CD2 4.28Å
1144F93.6Very high92.1Very high2 Ų226.2 Ų26.21%0.00913%0.125CC..EExtended strand (participates in β ladder)trans-79.7109.5-177.5-163-107.7000111.5F1038 W1084 E1132 F1136 L1137 F1140 R1142 I1146 R1178 C1179F1038-F1144 HydrophobicContact CD2-CD2 4.08Å; F1038-F1144 AromaticContact CD2-CE2 3.53Å; F1038-F1144 HydrophobicContact CD2-CE2 3.53Å; F1038-F1144 AromaticContact CD2-CZ 3.88Å; F1038-F1144 HydrophobicContact CD2-CZ 3.88Å; F1038-F1144 AromaticContact CE2-CD2 3.79Å; F1038-F1144 HydrophobicContact CE2-CD2 3.79Å; F1038-F1144 AromaticContact CE2-CE2 3.22Å; F1038-F1144 HydrophobicContact CE2-CE2 3.22Å; F1038-F1144 AromaticContact CE2-CZ 3.99Å; F1038-F1144 HydrophobicContact CE2-CZ 3.99Å; F1038-F1144 HydrophobicContact CG-CE2 4.34Å; F1038-F1144 HydrophobicContact CG-CZ 4.31Å; F1038-F1144 AromaticContact CZ-CE2 3.81Å; F1038-F1144 HydrophobicContact CZ-CE2 3.81Å; F1038-F1144 HydrophobicContact CZ-CZ 4.47Å; W1084-F1144 HydrophobicContact CZ2-CZ 4.34Å; W1084-F1144 AromaticContact NE1-CZ 3.68Å; E1132-F1144 HydrophobicContact CG-CE1 4.37Å; E1132-F1144 HydrophobicContact CG-CZ 4.23Å; F1136-F1144 AromaticContact CE1-CE2 3.65Å; F1136-F1144 HydrophobicContact CE1-CE2 3.65Å; F1136-F1144 AromaticContact CE1-CZ 3.89Å; F1136-F1144 HydrophobicContact CE1-CZ 3.89Å; F1136-F1144 HydrophobicContact CZ-CE2 4.22Å; L1137-F1144 HydrophobicContact CD2-CD1 4.24Å; L1137-F1144 HydrophobicContact CD2-CE1 4.5Å; L1137-F1144 HydrophobicContact CD2-CG 4.24Å; F1140-F1144 HydrophobicContact CB-CB 4.42Å; F1140-F1144 HydrophobicContact CB-CD2 4.41Å; F1140-F1144 HydrophobicContact CD1-CD2 4.35Å; F1140-F1144 AromaticContact CD2-CD2 3.66Å; F1140-F1144 HydrophobicContact CD2-CD2 3.66Å; F1140-F1144 HydrophobicContact CD2-CE2 4.07Å; F1140-F1144 AromaticContact CE2-CD2 3.96Å; F1140-F1144 HydrophobicContact CE2-CD2 3.96Å; F1140-F1144 AromaticContact CE2-CE2 3.91Å; F1140-F1144 HydrophobicContact CE2-CE2 3.91Å; F1140-F1144 AromaticContact CG-CD2 3.87Å; F1140-F1144 HydrophobicContact CG-CD2 3.87Å; F1140-F1144 HydrophobicContact CZ-CD2 4.43Å; F1140-F1144 HydrophobicContact CZ-CE2 4.32Å; R1142-F1144 PolarHBondContact O-N 3.49Å; F1144-I1146 HydrophobicContact CD1-CD1 4.26Å; F1144-I1146 HydrophobicContact CD1-CG1 4.21Å; F1144-I1146 HydrophobicContact CE1-CD1 3.9Å; F1144-I1146 HydrophobicContact CE1-CG1 3.99Å; F1144-R1178 HydrophobicContact CB-CG 4.5Å; F1144-R1178 HydrophobicContact CD1-CB 4.26Å; F1144-R1178 HydrophobicContact CD1-CG 3.84Å; F1144-R1178 WeakPolarHBondContact O-CA 3.41Å; F1144-C1179 PolarHBondContact O-N 2.76Å
1145I95.1Very high92Very high0 Ų026.1 Ų26.10%013%0.131CC..EExtended strand (participates in β ladder)trans-107.9134.1-176.1-62.4158.1000110.6G1036 Q1037 F1038 Q1143 C1179 L1236 M1240G1036-I1145 PolarHBondContact O-N 2.82Å; Q1037-I1145 HydrophobicContact CB-CB 4.49Å; Q1037-I1145 HydrophobicContact CG-CB 4.24Å; Q1037-I1145 HydrophobicContact CG-CD1 3.85Å; F1038-I1145 PolarHBondContact N-O 3.49Å; Q1143-I1145 PolarHBondContact O-N 2.85Å; I1145-C1179 CarbonylContact C-O 3.09Å; I1145-C1179 WeakPolarHBondContact CA-O 3.24Å; I1145-C1179 HydrophobicContact CG1-CB 4.2Å; I1145-L1236 HydrophobicContact CD1-CD2 3.95Å; I1145-L1236 HydrophobicContact CG1-CD2 4.19Å; I1145-M1240 HydrophobicContact CD1-CG 3.79Å; I1145-M1240 HydrophobicContact CD1-SD 4.05Å; I1145-M1240 HydrophobicContact CG1-SD 4.37Å; I1145-M1240 HydrophobicContact CG2-CE 4.2Å; I1145-M1240 HydrophobicContact CG2-SD 4.19Å
1146I95.2Very high91.8Very high1 Ų129.1 Ų29.11%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-123.7120175.2-51.5168.9000111.3F1038 N1040 W1084 Q1129 F1144 C1179 I1180 E1181F1038-I1146 CarbonylContact O-C 3.55Å; F1038-I1146 WeakPolarHBondContact O-CA 3.45Å; N1040-I1146 HydrophobicContact CB-CG2 4.39Å; W1084-I1146 HydrophobicContact CZ2-CD1 4.5Å; Q1129-I1146 HydrophobicContact CG-CD1 4.04Å; F1144-I1146 HydrophobicContact CD1-CD1 4.26Å; F1144-I1146 HydrophobicContact CD1-CG1 4.21Å; F1144-I1146 HydrophobicContact CE1-CD1 3.9Å; F1144-I1146 HydrophobicContact CE1-CG1 3.99Å; I1146-C1179 PolarHBondContact N-O 3.48Å; I1146-I1180 HydrophobicContact CB-CG1 4.26Å; I1146-I1180 HydrophobicContact CD1-CD1 3.85Å; I1146-I1180 HydrophobicContact CD1-CG1 4.02Å; I1146-I1180 HydrophobicContact CG1-CG1 4.46Å; I1146-E1181 PolarHBondContact O-N 3.29Å
1147H94.9Very high91.4Very high7 Ų733 Ų333%0.03217%0.17CC..EExtended strand (participates in β ladder)trans-96157172.7-56.7-73000112.2W1034 Q1037 F1038 F1039 N1040 Y1166W1034-H1147 AromaticContact CZ3-NE2 3.79Å; Q1037-H1147 PolarHBondContact OE1-NE2 3.46Å; F1038-H1147 PolarHBondContact O-N 3.33Å; F1039-H1147 HydrophobicContact CD1-CB 3.73Å; F1039-H1147 HydrophobicContact CD2-CB 4.3Å; F1039-H1147 AromaticContact CD2-CD2 3.83Å; F1039-H1147 HydrophobicContact CE1-CB 3.71Å; F1039-H1147 HydrophobicContact CE2-CB 4.27Å; F1039-H1147 AromaticContact CE2-CD2 3.38Å; F1039-H1147 WeakPolarHBondContact CE2-CD2 3.43Å; F1039-H1147 HydrophobicContact CG-CB 4.05Å; F1039-H1147 HydrophobicContact CZ-CB 3.99Å; F1039-H1147 AromaticContact CZ-CD2 3.62Å; F1039-H1147 AromaticContact CZ-CG 3.87Å; N1040-H1147 WeakPolarHBondContact CB-O 3.14Å; N1040-H1147 PolarHBondContact N-O 3.37Å; H1147-Y1166 AromaticContact ND1-CE1 3.5Å; H1147-Y1166 AromaticContact ND1-CZ 3.63Å; H1147-Y1166 PolarHBondContact ND1-OH 2.84Å
1148S91.9Very high91.2Very high36 Ų3636 Ų3625%0.25219%0.191SC..SBendtrans-98.7131.417262.70000112.2N1040 R1159 R1162 E1181N1040-S1148 VanDerWaalsContact OD1-CA 3.31Å; N1040-S1148 WeakPolarHBondContact OD1-CA 3.42Å; S1148-R1159 PolarHBondContact O-NH1 2.77Å; S1148-R1162 PolarHBondContact O-NH2 3.13Å; S1148-R1162 PolarHBondContact OG-NH2 3.07Å; S1148-E1181 PolarHBondContact N-OE2 3.19Å; S1148-E1181 VanDerWaalsContact OG-CD 3.23Å; S1148-E1181 PolarHBondContact OG-OE2 2.87Å
1149G91Very high91.1Very high10 Ų1036.5 Ų36.510%0.10319%0.193CC..SBendtrans109.1-168.9-172.300000112.6F1039 N1040 Q1041F1039-G1149 WeakPolarHBondContact CB-O 3.42Å; N1040-G1149 PolarHBondContact OD1-N 3.12Å; Q1041-G1149 PolarHBondContact N-O 3.04Å; Q1041-G1149 VanDerWaalsContact OE1-CA 3.31Å
1150H92.8Very high90.9Very high54 Ų5438.6 Ų38.625%0.2520%0.204CC..  trans-93.5150.5174.3-68.5-81.1000113.3F1039 Q1041 D1042 R1152 D1153F1039-H1150 VanDerWaalsContact CD1-O 3.27Å; F1039-H1150 WeakPolarHBondContact CD1-O 3.37Å; F1039-H1150 WeakPolarHBondContact CE1-O 3.4Å; Q1041-H1150 PolarHBondContact O-CE1 3.15Å; Q1041-H1150 PolarHBondContact O-ND1 2.79Å; Q1041-H1150 PolarHBondContact OE1-CD2 3.12Å; Q1041-H1150 VanDerWaalsContact OE1-CD2 3.29Å; D1042-H1150 IonicContact OD1-CE1 2.67Å; D1042-H1150 IonicContact OD1-CG 2.72Å; D1042-H1150 IonicContact OD1-ND1 3.47Å; D1042-H1150 PolarHBondContact OD1-ND1 3.3Å; D1042-H1150 VanDerWaalsContact OD2-CA 3.24Å; D1042-H1150 WeakPolarHBondContact OD2-CA 3.47Å; D1042-H1150 WeakPolarHBondContact OD2-CB 3.4Å; D1042-H1150 IonicContact OD2-CG 2.69Å; D1042-H1150 IonicContact OD2-ND1 3.6Å; H1150-R1152 HydrophobicContact CB-CG 3.89Å; H1150-R1152 PolarHBondContact O-N 3.17Å; H1150-D1153 WeakPolarHBondContact CB-OD2 3.1Å; H1150-D1153 IonicContact CD2-OD2 2.61Å; H1150-D1153 PolarHBondContact N-OD2 2.95Å; H1150-D1153 PolarHBondContact O-N 2.79Å; H1150-D1153 VanDerWaalsContact O-N 3.1Å
1151Y93.3Very high90.9Very high17 Ų1744 Ų447%0.06723%0.229CC..G310 helixtrans-60.4-29.7167.8179.2-98.5000112I1021 V1030 W1034 F1039 D1042 D1153 R1154I1021-Y1151 VanDerWaalsContact CD1-CB 3.46Å; I1021-Y1151 HydrophobicContact CD1-CD1 3.56Å; I1021-Y1151 HydrophobicContact CD1-CD2 4.45Å; I1021-Y1151 HydrophobicContact CD1-CE1 4.42Å; I1021-Y1151 HydrophobicContact CD1-CG 3.58Å; V1030-Y1151 HydrophobicContact CG1-CE2 4.32Å; W1034-Y1151 HydrophobicContact CB-CE2 3.88Å; W1034-Y1151 HydrophobicContact CD2-CE2 4.23Å; W1034-Y1151 AromaticContact CG-CE2 3.81Å; W1034-Y1151 HydrophobicContact CG-CE2 3.81Å; F1039-Y1151 AromaticContact CD2-CD2 3.82Å; F1039-Y1151 HydrophobicContact CD2-CD2 3.82Å; F1039-Y1151 HydrophobicContact CD2-CG 4.36Å; F1039-Y1151 AromaticContact CE2-CD2 3.81Å; F1039-Y1151 HydrophobicContact CE2-CD2 3.81Å; D1042-Y1151 WeakPolarHBondContact OD2-CB 3.16Å; D1042-Y1151 PolarHBondContact OD2-N 2.86Å; Y1151-D1153 PolarHBondContact O-N 3.07Å; Y1151-R1154 VanDerWaalsContact CE1-CZ 3.49Å; Y1151-R1154 VanDerWaalsContact CE2-CD 3.46Å; Y1151-R1154 VanDerWaalsContact O-CB 3.24Å; Y1151-R1154 WeakPolarHBondContact O-CB 3.47Å; Y1151-R1154 WeakPolarHBondContact O-CD 3.47Å; Y1151-R1154 WeakPolarHBondContact O-CG 3.41Å; Y1151-R1154 PolarHBondContact O-N 2.81Å; Y1151-R1154 PolarHBondContact O-NH1 2.84Å
1152R90.3Very high91Very high130 Ų13046.1 Ų46.149%0.49124%0.236SC..G310 helixtrans-61-31174.684.4-174.569.6-143.9-1.2111.8H1150H1150-R1152 HydrophobicContact CB-CG 3.89Å; H1150-R1152 PolarHBondContact O-N 3.17Å
1153D91Very high91.1Very high44 Ų4446.4 Ų46.424%0.23524%0.239CC..G310 helixtrans-90.14.7-178.6-40.1-32.4000113H1150 Y1151 A1155 E1156 R1159H1150-D1153 WeakPolarHBondContact CB-OD2 3.1Å; H1150-D1153 IonicContact CD2-OD2 2.61Å; H1150-D1153 PolarHBondContact N-OD2 2.95Å; H1150-D1153 PolarHBondContact O-N 2.79Å; H1150-D1153 VanDerWaalsContact O-N 3.1Å; Y1151-D1153 PolarHBondContact O-N 3.07Å; D1153-A1155 PolarHBondContact O-N 2.98Å; D1153-E1156 HydrophobicContact CB-CB 4.28Å; D1153-E1156 WeakPolarHBondContact O-CB 3.46Å; D1153-E1156 PolarHBondContact O-N 2.94Å; D1153-R1159 WeakPolarHBondContact O-CD 2.98Å
1154R89.8Confident91.3Very high55 Ų5546 Ų4621%0.20824%0.237CC..THydrogen-bonded Turntrans-55.3-28.6-171.170.1-165.6174.4-72.52.6114.7E1031 W1034 F1039 Y1151E1031-R1154 IonicContact OE1-CZ 3.19Å; E1031-R1154 IonicContact OE1-NE 2.8Å; E1031-R1154 PolarHBondContact OE1-NE 2.83Å; E1031-R1154 IonicContact OE1-NH2 2.75Å; E1031-R1154 PolarHBondContact OE1-NH2 2.77Å; W1034-R1154 HydrophobicContact CH2-CB 3.88Å; W1034-R1154 HydrophobicContact CH2-CG 4.44Å; W1034-R1154 HydrophobicContact CZ2-CB 3.84Å; W1034-R1154 HydrophobicContact CZ2-CG 3.87Å; W1034-R1154 HydrophobicContact CZ3-CB 4.48Å; F1039-R1154 HydrophobicContact CE1-CB 4.23Å; F1039-R1154 HydrophobicContact CE2-CB 4.35Å; F1039-R1154 HydrophobicContact CZ-CB 3.65Å; Y1151-R1154 VanDerWaalsContact CE1-CZ 3.49Å; Y1151-R1154 VanDerWaalsContact CE2-CD 3.46Å; Y1151-R1154 VanDerWaalsContact O-CB 3.24Å; Y1151-R1154 WeakPolarHBondContact O-CB 3.47Å; Y1151-R1154 WeakPolarHBondContact O-CD 3.47Å; Y1151-R1154 WeakPolarHBondContact O-CG 3.41Å; Y1151-R1154 PolarHBondContact O-N 2.81Å; Y1151-R1154 PolarHBondContact O-NH1 2.84Å
1155A86.4Confident91.3Very high62 Ų6246 Ų4651%0.51224%0.237SC..THydrogen-bonded Turntrans-112.77.8178.200000113.7D1153D1153-A1155 PolarHBondContact O-N 2.98Å
1156E88.5Confident91.3Very high96 Ų9646 Ų4645%0.44924%0.237SC..  trans-72.2137.7-176.1-162.7178.1-111.400111.2D1153 S1158 R1159 L1160D1153-E1156 HydrophobicContact CB-CB 4.28Å; D1153-E1156 WeakPolarHBondContact O-CB 3.46Å; D1153-E1156 PolarHBondContact O-N 2.94Å; E1156-S1158 WeakPolarHBondContact CG-OG 3.42Å; E1156-S1158 PolarHBondContact O-N 2.83Å; E1156-S1158 VanDerWaalsContact O-N 3.17Å; E1156-S1158 WeakPolarHBondContact OE2-CB 3.46Å; E1156-S1158 PolarHBondContact OE2-OG 2.81Å; E1156-R1159 WeakPolarHBondContact O-CB 3.18Å; E1156-R1159 PolarHBondContact O-N 2.62Å; E1156-L1160 PolarHBondContact O-N 2.88Å
1157P85.7Confident91.2Very high82 Ų8247 Ų4753%0.53224%0.241SC..Hα-helixtrans-54.1-37.5-179.8-29.336.3000113.5R1159 L1160 E1161P1157-R1159 VanDerWaalsContact C-N 3.25Å; P1157-R1159 PolarHBondContact O-N 2.87Å; P1157-L1160 PolarHBondContact O-N 2.85Å; P1157-E1161 VanDerWaalsContact O-CB 3.28Å; P1157-E1161 WeakPolarHBondContact O-CB 3.34Å; P1157-E1161 WeakPolarHBondContact O-CG 3.17Å; P1157-E1161 PolarHBondContact O-N 3.25Å
1158S87.9Confident91.2Very high67 Ų6746.8 Ų46.847%0.46924%0.24SC..Hα-helixtrans-50.5-40.917465.70000113.4E1156E1156-S1158 WeakPolarHBondContact CG-OG 3.42Å; E1156-S1158 PolarHBondContact O-N 2.83Å; E1156-S1158 VanDerWaalsContact O-N 3.17Å; E1156-S1158 WeakPolarHBondContact OE2-CB 3.46Å; E1156-S1158 PolarHBondContact OE2-OG 2.81Å
1159R90.9Very high91.1Very high12 Ų1245.5 Ų45.55%0.04523%0.23CC..Hα-helixtrans-77.3-37.8178.1-178.9179.2-173.970.218.2111.5S1148 D1153 E1156 P1157 R1162 Q1164 Y1166 E1181S1148-R1159 PolarHBondContact O-NH1 2.77Å; D1153-R1159 WeakPolarHBondContact O-CD 2.98Å; E1156-R1159 WeakPolarHBondContact O-CB 3.18Å; E1156-R1159 PolarHBondContact O-N 2.62Å; P1157-R1159 VanDerWaalsContact C-N 3.25Å; P1157-R1159 PolarHBondContact O-N 2.87Å; R1159-R1162 WeakPolarHBondContact O-CG 3.46Å; R1159-Q1164 PolarHBondContact O-NE2 2.79Å; R1159-Y1166 PolarHBondContact NH2-OH 3.24Å; R1159-E1181 IonicContact CZ-OE2 3.94Å; R1159-E1181 IonicContact NH1-OE2 3.63Å; R1159-E1181 IonicContact NH2-OE1 3.72Å; R1159-E1181 IonicContact NH2-OE2 3.75Å; R1159-E1181 PolarHBondContact NH2-OE2 2.68Å
1160L87.2Confident91Very high44 Ų4446.2 Ų46.223%0.2324%0.235CC..Hα-helixtrans-78.2-26.9-176.6-63.8176.2000112.7E1156 P1157 K1198 W1243E1156-L1160 PolarHBondContact O-N 2.88Å; P1157-L1160 PolarHBondContact O-N 2.85Å; L1160-K1198 PolarHBondContact O-NZ 2.73Å; L1160-W1243 HydrophobicContact CD1-CH2 4.26Å; L1160-W1243 HydrophobicContact CD2-CH2 3.91Å; L1160-W1243 HydrophobicContact CD2-CZ2 4.29Å
1161E89.8Confident90.5Very high117 Ų11744 Ų4455%0.54722%0.224SC..SBendtrans-85.5-3.4179-74-178.1174.500114.3P1157 P1200 H1202P1157-E1161 VanDerWaalsContact O-CB 3.28Å; P1157-E1161 WeakPolarHBondContact O-CB 3.34Å; P1157-E1161 WeakPolarHBondContact O-CG 3.17Å; P1157-E1161 PolarHBondContact O-N 3.25Å; E1161-P1200 VanDerWaalsContact C-CG 3.46Å; E1161-P1200 VanDerWaalsContact O-CG 3.27Å; E1161-P1200 WeakPolarHBondContact O-CG 3.42Å; E1161-H1202 PolarHBondContact O-CE1 2.8Å
1162R92Very high89.9Confident89 Ų8944.7 Ų44.734%0.33624%0.237SC..SBendtrans-93.1150172.688.6-164.3-169.9-178.95.7112.2S1148 R1159 Q1164 E1181 P1200S1148-R1162 PolarHBondContact O-NH2 3.13Å; S1148-R1162 PolarHBondContact OG-NH2 3.07Å; R1159-R1162 WeakPolarHBondContact O-CG 3.46Å; R1162-Q1164 HydrophobicContact CG-CG 3.95Å; R1162-Q1164 PolarHBondContact O-N 3.17Å; R1162-E1181 IonicContact CZ-OE1 2.74Å; R1162-E1181 IonicContact NE-OE1 2.58Å; R1162-E1181 IonicContact NH2-OE1 2.74Å; R1162-E1181 PolarHBondContact NH2-OE1 3.44Å; R1162-E1181 IonicContact NH2-OE2 3.82Å; R1162-E1181 PolarHBondContact NH2-OE2 3.14Å; R1162-P1200 VanDerWaalsContact C-CG 3.49Å; R1162-P1200 WeakPolarHBondContact O-CG 3.5Å
1163I94.7Very high89.7Confident37 Ų3739.7 Ų39.719%0.1922%0.22CC..  trans-67.5127.8166.2-58.8155.7000107.8P1184 I1197 K1198 I1203 V1263I1163-P1184 HydrophobicContact CB-CB 4.34Å; I1163-P1184 HydrophobicContact CB-CG 4.01Å; I1163-P1184 HydrophobicContact CG2-CB 3.64Å; I1163-P1184 HydrophobicContact CG2-CG 3.87Å; I1163-I1197 HydrophobicContact CG2-CG2 4.39Å; I1163-K1198 WeakPolarHBondContact CA-O 3.19Å; I1163-I1203 HydrophobicContact CD1-CD1 3.92Å; I1163-I1203 HydrophobicContact CG1-CD1 3.7Å; I1163-V1263 HydrophobicContact CD1-CG1 3.9Å; I1163-V1263 HydrophobicContact CG1-CG1 4.17Å; I1163-V1263 HydrophobicContact CG2-CG1 3.65Å
1164Q94.4Very high89.6Confident5 Ų538.2 Ų38.22%0.02321%0.212CC..EExtended strand (participates in β ladder)trans-114.5139.5175.2-52.9-178.812.500109.2R1159 R1162 Y1166 E1181 I1197 K1198R1159-Q1164 PolarHBondContact O-NE2 2.79Å; R1162-Q1164 HydrophobicContact CG-CG 3.95Å; R1162-Q1164 PolarHBondContact O-N 3.17Å; Q1164-Y1166 HydrophobicContact CB-CD2 4.48Å; Q1164-Y1166 HydrophobicContact CB-CE2 3.69Å; Q1164-Y1166 PolarHBondContact OE1-OH 2.86Å; Q1164-E1181 WeakPolarHBondContact CG-OE1 3.48Å; Q1164-I1197 CarbonylContact O-C 3.54Å; Q1164-I1197 WeakPolarHBondContact O-CA 3.04Å; Q1164-K1198 HydrophobicContact CB-CB 4.44Å; Q1164-K1198 PolarHBondContact N-O 2.82Å; Q1164-K1198 PolarHBondContact O-N 3.38Å
1165M95.4Very high89.7Confident0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-132.1131.2178.2176.8175.9178.100107.7E1181 V1182 P1184 N1188 L1189 Y1195 I1196 I1197 L1264M1165-E1181 CarbonylContact O-C 3.58Å; M1165-E1181 WeakPolarHBondContact O-CA 3.19Å; M1165-V1182 HydrophobicContact CB-CG2 4.25Å; M1165-V1182 HydrophobicContact CG-CG2 3.85Å; M1165-V1182 WeakPolarHBondContact O-CG2 3.37Å; M1165-V1182 PolarHBondContact O-N 3Å; M1165-V1182 VanDerWaalsContact O-O 3.09Å; M1165-V1182 HydrophobicContact SD-CG2 4.32Å; M1165-P1184 HydrophobicContact CB-CB 4.21Å; M1165-N1188 HydrophobicContact CE-CB 4.03Å; M1165-L1189 HydrophobicContact CE-CD2 3.64Å; M1165-L1189 HydrophobicContact CE-CG 4.07Å; M1165-Y1195 HydrophobicContact CE-CD1 3.39Å; M1165-Y1195 HydrophobicContact CE-CE1 3.62Å; M1165-Y1195 HydrophobicContact CE-CG 4.34Å; M1165-I1196 CarbonylContact C-O 3.44Å; M1165-I1196 WeakPolarHBondContact CA-O 3.41Å; M1165-I1197 HydrophobicContact CB-CG2 4.45Å; M1165-I1197 HydrophobicContact CE-CD1 4.39Å; M1165-I1197 HydrophobicContact CG-CD1 4.25Å; M1165-I1197 HydrophobicContact CG-CG1 4.13Å; M1165-I1197 HydrophobicContact SD-CD1 4.33Å; M1165-L1264 HydrophobicContact SD-CD2 3.92Å
1166Y95.1Very high89.9Confident1 Ų132.9 Ų32.90%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-125.6156.6177.9-60.5-106.2000109.1H1147 R1159 Q1164 I1180 E1181 Y1195 I1196 M1240 F1241H1147-Y1166 AromaticContact ND1-CE1 3.5Å; H1147-Y1166 AromaticContact ND1-CZ 3.63Å; H1147-Y1166 PolarHBondContact ND1-OH 2.84Å; R1159-Y1166 PolarHBondContact NH2-OH 3.24Å; Q1164-Y1166 HydrophobicContact CB-CD2 4.48Å; Q1164-Y1166 HydrophobicContact CB-CE2 3.69Å; Q1164-Y1166 PolarHBondContact OE1-OH 2.86Å; Y1166-I1180 WeakPolarHBondContact CA-O 3.43Å; Y1166-E1181 HydrophobicContact CD1-CB 3.74Å; Y1166-E1181 HydrophobicContact CD1-CG 4.19Å; Y1166-E1181 HydrophobicContact CD2-CG 4.48Å; Y1166-E1181 HydrophobicContact CE1-CB 3.42Å; Y1166-E1181 VanDerWaalsContact CE1-CB 3.42Å; Y1166-E1181 HydrophobicContact CE1-CG 3.73Å; Y1166-E1181 HydrophobicContact CE2-CG 4.02Å; Y1166-E1181 HydrophobicContact CG-CB 4.45Å; Y1166-Y1195 CarbonylContact O-C 3.55Å; Y1166-Y1195 VanDerWaalsContact O-CA 3.24Å; Y1166-Y1195 WeakPolarHBondContact O-CA 3.37Å; Y1166-Y1195 WeakPolarHBondContact O-CB 3.43Å; Y1166-I1196 PolarHBondContact N-O 3.36Å; Y1166-I1196 PolarHBondContact O-N 2.71Å; Y1166-M1240 HydrophobicContact CD1-CE 3.48Å; Y1166-M1240 VanDerWaalsContact CD1-CE 3.48Å; Y1166-M1240 HydrophobicContact CD2-CE 3.78Å; Y1166-M1240 HydrophobicContact CE1-CE 3.32Å; Y1166-M1240 HydrophobicContact CE2-CE 3.67Å; Y1166-M1240 HydrophobicContact CG-CE 3.72Å; Y1166-M1240 VanDerWaalsContact CZ-CE 3.45Å; Y1166-F1241 HydrophobicContact CD2-CZ 4.45Å; Y1166-F1241 HydrophobicContact CE2-CE2 4.42Å; Y1166-F1241 AromaticContact CE2-CZ 3.79Å; Y1166-F1241 HydrophobicContact CE2-CZ 3.79Å
1167Y93.1Very high90Very high21 Ų2128.4 Ų28.48%0.08216%0.159CC..EExtended strand (participates in β ladder)trans-138.7147.3172.178-75.9000111.4R1169 C1179 I1180 V1182 F1193 Y1195 H1375 G1376Y1167-R1169 HydrophobicContact CD2-CB 4.03Å; Y1167-R1169 HydrophobicContact CE2-CB 3.91Å; Y1167-C1179 WeakPolarHBondContact O-CA 3.47Å; Y1167-I1180 HydrophobicContact CE1-CB 4.37Å; Y1167-I1180 PolarHBondContact N-O 2.94Å; Y1167-I1180 PolarHBondContact O-N 2.77Å; Y1167-I1180 VanDerWaalsContact O-N 3.08Å; Y1167-V1182 HydrophobicContact CD1-CG1 3.65Å; Y1167-V1182 HydrophobicContact CD1-CG2 4.07Å; Y1167-V1182 HydrophobicContact CE1-CG1 3.39Å; Y1167-F1193 HydrophobicContact CD2-CD2 4.49Å; Y1167-Y1195 VanDerWaalsContact CB-CD1 3.45Å; Y1167-Y1195 HydrophobicContact CG-CE1 4.22Å; Y1167-H1375 AromaticContact CE2-CE1 3.66Å; Y1167-H1375 AromaticContact CE2-ND1 3.46Å; Y1167-H1375 WeakPolarHBondContact CE2-ND1 3.22Å; Y1167-H1375 AromaticContact CZ-CE1 3.64Å; Y1167-H1375 AromaticContact CZ-ND1 3.21Å; Y1167-H1375 PolarHBondContact OH-ND1 3.19Å; Y1167-G1376 PolarHBondContact OH-N 3.24Å; Y1167-G1376 VanDerWaalsContact OH-N 3.13Å
1168I93.7Very high90.4Very high3 Ų324.6 Ų24.62%0.01513%0.134CC..EExtended strand (participates in β ladder)trans-106.4130.1-179-66.1154.3000108.3T1177 C1179 T1194 I1196 D1229 L1232 A1233 L1236I1168-T1177 HydrophobicContact CG2-CG2 4.05Å; I1168-C1179 HydrophobicContact CG1-CB 3.96Å; I1168-T1194 PolarHBondContact N-O 2.93Å; I1168-I1196 HydrophobicContact CD1-CD1 4.24Å; I1168-D1229 HydrophobicContact CG2-CB 4.39Å; I1168-L1232 HydrophobicContact CG2-CD2 4.12Å; I1168-A1233 VanDerWaalsContact CD1-CA 3.46Å; I1168-A1233 HydrophobicContact CD1-CB 3.45Å; I1168-A1233 VanDerWaalsContact CD1-CB 3.45Å; I1168-L1236 HydrophobicContact CD1-CD1 3.96Å; I1168-L1236 HydrophobicContact CG1-CD1 4.14Å
1169R90Very high90.8Very high9 Ų921.5 Ų21.53%0.03411%0.112CC..EExtended strand (participates in β ladder)trans-155.8146.7-176.5176.4177.3164.2178.8-8.4110.9Y1167 N1171 T1177 R1178 F1193 Q1372 C1373Y1167-R1169 HydrophobicContact CD2-CB 4.03Å; Y1167-R1169 HydrophobicContact CE2-CB 3.91Å; R1169-N1171 PolarHBondContact NE-OD1 2.74Å; R1169-N1171 PolarHBondContact NH2-OD1 3.01Å; R1169-T1177 WeakPolarHBondContact O-CA 3.43Å; R1169-R1178 PolarHBondContact N-O 2.73Å; R1169-R1178 VanDerWaalsContact N-O 3.17Å; R1169-R1178 PolarHBondContact O-N 2.76Å; R1169-F1193 HydrophobicContact CG-CE1 4.28Å; R1169-F1193 HydrophobicContact CG-CZ 4.33Å; R1169-Q1372 PolarHBondContact NH1-O 3.14Å; R1169-C1373 PolarHBondContact NH2-O 2.86Å
1170A88.3Confident90.9Very high25 Ų2521.2 Ų21.221%0.20711%0.111CC..  trans-118.9149165.700000109.1S1176A1170-S1176 WeakPolarHBondContact CA-OG 3.41Å; A1170-S1176 WeakPolarHBondContact CB-OG 3.4Å
1171N83.9Confident91.3Very high7 Ų720 Ų204%0.03710%0.104CC..SBendtrans-121.4121.9172.8-57.8-52000109.3R1169 N1173 S1176 L1277 A1299 D1300R1169-N1171 PolarHBondContact NE-OD1 2.74Å; R1169-N1171 PolarHBondContact NH2-OD1 3.01Å; N1171-N1173 PolarHBondContact O-N 3.11Å; N1171-S1176 PolarHBondContact N-OG 2.95Å; N1171-S1176 WeakPolarHBondContact O-CB 3.31Å; N1171-S1176 PolarHBondContact O-OG 2.7Å; N1171-L1277 WeakPolarHBondContact OD1-CD2 3.47Å; N1171-A1299 WeakPolarHBondContact CB-O 3.13Å; N1171-D1300 HydrophobicContact CB-CB 3.96Å; N1171-D1300 WeakPolarHBondContact CB-OD1 3.2Å; N1171-D1300 PolarHBondContact ND2-OD1 3.28Å
1172G79.7Confident91.4Very high32 Ų3215.6 Ų15.633%0.339%0.086SC..SBendtrans82.6-86.8-172.500000111.8P985P985-G1172 WeakPolarHBondContact CB-O 3.48Å
1173N86.5Confident91.3Very high25 Ų2519.2 Ų19.213%0.13410%0.104CC..SBendtrans-123.7169.6-171.368.541.3000113L986 A991 N1171 I1175 S1176L986-N1173 HydrophobicContact CB-CB 4.26Å; L986-N1173 HydrophobicContact CD1-CB 4.43Å; L986-N1173 WeakPolarHBondContact CD1-ND2 3.27Å; A991-N1173 HydrophobicContact CB-CB 4.24Å; N1171-N1173 PolarHBondContact O-N 3.11Å; N1173-I1175 VanDerWaalsContact C-N 3.3Å; N1173-I1175 PolarHBondContact O-N 3.27Å; N1173-I1175 WeakPolarHBondContact OD1-CB 3.33Å; N1173-I1175 PolarHBondContact OD1-N 3.15Å; N1173-S1176 PolarHBondContact O-N 3.03Å; N1173-S1176 PolarHBondContact O-OG 3.17Å; N1173-S1176 PolarHBondContact OD1-N 3.11Å
1174L89.5Confident91.1Very high13 Ų1319.4 Ų19.47%0.06811%0.107CC..G310 helixtrans-62.2-28.3-178-70.1-175.5000114.9N988 A991 L992 S1176 T1177N988-L1174 HydrophobicContact CB-CD1 3.67Å; N988-L1174 HydrophobicContact CB-CG 4.28Å; A991-L1174 HydrophobicContact CB-CB 4.15Å; L992-L1174 HydrophobicContact CD1-CD1 4.34Å; L992-L1174 HydrophobicContact CD2-CD1 4.46Å; L992-L1174 HydrophobicContact CG-CD1 4.13Å; L1174-S1176 PolarHBondContact O-N 2.89Å; L1174-T1177 WeakPolarHBondContact O-CB 3.27Å; L1174-T1177 PolarHBondContact O-N 2.75Å; L1174-T1177 PolarHBondContact O-OG1 2.74Å
1175I90.9Very high90.9Very high1 Ų120.8 Ų20.81%0.00512%0.118CC..G310 helixtrans-64.6-32-179-59.3162.9000110.6A991 M994 M995 W998 T1134 L1137 A1138 N1173 T1177A991-I1175 HydrophobicContact CB-CD1 4.43Å; A991-I1175 HydrophobicContact CB-CG1 4.36Å; A991-I1175 WeakPolarHBondContact O-CD1 3.48Å; A991-I1175 WeakPolarHBondContact O-CG1 3.4Å; M994-I1175 HydrophobicContact CE-CD1 3.33Å; M995-I1175 HydrophobicContact CB-CG1 4.41Å; M995-I1175 HydrophobicContact CE-CB 4.16Å; M995-I1175 HydrophobicContact CE-CG1 3.63Å; M995-I1175 HydrophobicContact CE-CG2 4.46Å; W998-I1175 HydrophobicContact CZ3-CD1 4.19Å; T1134-I1175 VanDerWaalsContact O-CG2 3.26Å; T1134-I1175 WeakPolarHBondContact O-CG2 3.43Å; L1137-I1175 HydrophobicContact CB-CG2 3.89Å; A1138-I1175 HydrophobicContact CB-CG2 4.25Å; N1173-I1175 VanDerWaalsContact C-N 3.3Å; N1173-I1175 PolarHBondContact O-N 3.27Å; N1173-I1175 WeakPolarHBondContact OD1-CB 3.33Å; N1173-I1175 PolarHBondContact OD1-N 3.15Å; I1175-T1177 PolarHBondContact O-N 2.93Å; I1175-T1177 VanDerWaalsContact O-N 3.08Å
1176S89.7Confident90.8Very high5 Ų520.9 Ų20.94%0.03512%0.118CC..G310 helixtrans-68.30.7176.973.20000116A1170 N1171 N1173 L1174 R1178A1170-S1176 WeakPolarHBondContact CA-OG 3.41Å; A1170-S1176 WeakPolarHBondContact CB-OG 3.4Å; N1171-S1176 PolarHBondContact N-OG 2.95Å; N1171-S1176 WeakPolarHBondContact O-CB 3.31Å; N1171-S1176 PolarHBondContact O-OG 2.7Å; N1173-S1176 PolarHBondContact O-N 3.03Å; N1173-S1176 PolarHBondContact O-OG 3.17Å; N1173-S1176 PolarHBondContact OD1-N 3.11Å; L1174-S1176 PolarHBondContact O-N 2.89Å; S1176-R1178 PolarHBondContact O-N 3Å; S1176-R1178 PolarHBondContact O-NH1 3.13Å
1177T92.5Very high90.4Very high2 Ų223.8 Ų23.81%0.01214%0.136CC..  trans-63.2122.9-174.2-560000111.9R1142 I1168 R1169 L1174 I1175 L1232R1142-T1177 HydrophobicContact CB-CG2 4.07Å; R1142-T1177 HydrophobicContact CG-CG2 4.49Å; I1168-T1177 HydrophobicContact CG2-CG2 4.05Å; R1169-T1177 WeakPolarHBondContact O-CA 3.43Å; L1174-T1177 WeakPolarHBondContact O-CB 3.27Å; L1174-T1177 PolarHBondContact O-N 2.75Å; L1174-T1177 PolarHBondContact O-OG1 2.74Å; I1175-T1177 PolarHBondContact O-N 2.93Å; I1175-T1177 VanDerWaalsContact O-N 3.08Å; T1177-L1232 HydrophobicContact CG2-CD2 3.85Å
1178R93.2Very high90.2Very high2 Ų225.4 Ų25.41%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-133.4158.1171.5-45.7174.5-17376.4-15.4111.4E1132 F1144 R1169 S1176 I1180 D1300E1132-R1178 IonicContact OE2-CZ 3.99Å; E1132-R1178 VanDerWaalsContact OE2-CZ 3.24Å; E1132-R1178 IonicContact OE2-NE 2.88Å; E1132-R1178 PolarHBondContact OE2-NE 3.08Å; E1132-R1178 IonicContact OE2-NH2 3.83Å; E1132-R1178 PolarHBondContact OE2-NH2 3.44Å; F1144-R1178 HydrophobicContact CB-CG 4.5Å; F1144-R1178 HydrophobicContact CD1-CB 4.26Å; F1144-R1178 HydrophobicContact CD1-CG 3.84Å; F1144-R1178 WeakPolarHBondContact O-CA 3.41Å; R1169-R1178 PolarHBondContact N-O 2.73Å; R1169-R1178 VanDerWaalsContact N-O 3.17Å; R1169-R1178 PolarHBondContact O-N 2.76Å; S1176-R1178 PolarHBondContact O-N 3Å; S1176-R1178 PolarHBondContact O-NH1 3.13Å; R1178-I1180 HydrophobicContact CB-CG1 4.32Å; R1178-D1300 IonicContact CZ-OD2 3.87Å; R1178-D1300 IonicContact NH1-OD1 3.46Å; R1178-D1300 PolarHBondContact NH1-OD1 3.32Å; R1178-D1300 IonicContact NH1-OD2 2.62Å; R1178-D1300 PolarHBondContact NH1-OD2 2.81Å; R1178-D1300 IonicContact NH2-OD2 3.43Å; R1178-D1300 PolarHBondContact NH2-OD2 2.75Å
1179C95.3Very high90.1Very high1 Ų125.3 Ų25.31%0.00715%0.146CC..EExtended strand (participates in β ladder)trans-116.9115.7174.7-1770000109.6F1144 I1145 I1146 Y1167 I1168 L1236F1144-C1179 PolarHBondContact O-N 2.76Å; I1145-C1179 CarbonylContact C-O 3.09Å; I1145-C1179 WeakPolarHBondContact CA-O 3.24Å; I1145-C1179 HydrophobicContact CG1-CB 4.2Å; I1146-C1179 PolarHBondContact N-O 3.48Å; Y1167-C1179 WeakPolarHBondContact O-CA 3.47Å; I1168-C1179 HydrophobicContact CG1-CB 3.96Å; C1179-L1236 HydrophobicContact CB-CD1 3.88Å
1180I94Very high90.3Very high6 Ų625.2 Ų25.23%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-124.7133.3-169.5-55.2-169.4000112.4Q1130 I1146 Y1166 Y1167 R1178 H1375Q1130-I1180 HydrophobicContact CG-CD1 4.21Å; I1146-I1180 HydrophobicContact CB-CG1 4.26Å; I1146-I1180 HydrophobicContact CD1-CD1 3.85Å; I1146-I1180 HydrophobicContact CD1-CG1 4.02Å; I1146-I1180 HydrophobicContact CG1-CG1 4.46Å; Y1166-I1180 WeakPolarHBondContact CA-O 3.43Å; Y1167-I1180 HydrophobicContact CE1-CB 4.37Å; Y1167-I1180 PolarHBondContact N-O 2.94Å; Y1167-I1180 PolarHBondContact O-N 2.77Å; Y1167-I1180 VanDerWaalsContact O-N 3.08Å; R1178-I1180 HydrophobicContact CB-CG1 4.32Å; I1180-H1375 VanDerWaalsContact CD1-CD2 3.5Å; I1180-H1375 WeakPolarHBondContact CD1-CD2 3.37Å; I1180-H1375 WeakPolarHBondContact CD1-NE2 3.32Å
1181E94.8Very high90.6Very high18 Ų1824.1 Ų24.18%0.08414%0.136CC..EExtended strand (participates in β ladder)trans-66.7130.4172.5-158.5177.8-176.100111.5I1146 S1148 R1159 R1162 Q1164 M1165 Y1166I1146-E1181 PolarHBondContact O-N 3.29Å; S1148-E1181 PolarHBondContact N-OE2 3.19Å; S1148-E1181 VanDerWaalsContact OG-CD 3.23Å; S1148-E1181 PolarHBondContact OG-OE2 2.87Å; R1159-E1181 IonicContact CZ-OE2 3.94Å; R1159-E1181 IonicContact NH1-OE2 3.63Å; R1159-E1181 IonicContact NH2-OE1 3.72Å; R1159-E1181 IonicContact NH2-OE2 3.75Å; R1159-E1181 PolarHBondContact NH2-OE2 2.68Å; R1162-E1181 IonicContact CZ-OE1 2.74Å; R1162-E1181 IonicContact NE-OE1 2.58Å; R1162-E1181 IonicContact NH2-OE1 2.74Å; R1162-E1181 PolarHBondContact NH2-OE1 3.44Å; R1162-E1181 IonicContact NH2-OE2 3.82Å; R1162-E1181 PolarHBondContact NH2-OE2 3.14Å; Q1164-E1181 WeakPolarHBondContact CG-OE1 3.48Å; M1165-E1181 CarbonylContact O-C 3.58Å; M1165-E1181 WeakPolarHBondContact O-CA 3.19Å; Y1166-E1181 HydrophobicContact CD1-CB 3.74Å; Y1166-E1181 HydrophobicContact CD1-CG 4.19Å; Y1166-E1181 HydrophobicContact CD2-CG 4.48Å; Y1166-E1181 HydrophobicContact CE1-CB 3.42Å; Y1166-E1181 VanDerWaalsContact CE1-CB 3.42Å; Y1166-E1181 HydrophobicContact CE1-CG 3.73Å; Y1166-E1181 HydrophobicContact CE2-CG 4.02Å; Y1166-E1181 HydrophobicContact CG-CB 4.45Å
1182V91.9Very high91Very high26 Ų2625.3 Ų25.316%0.15815%0.145CC..EExtended strand (participates in β ladder)trans-130.1161.7176.8-710000111.4M1165 Y1167M1165-V1182 HydrophobicContact CB-CG2 4.25Å; M1165-V1182 HydrophobicContact CG-CG2 3.85Å; M1165-V1182 WeakPolarHBondContact O-CG2 3.37Å; M1165-V1182 PolarHBondContact O-N 3Å; M1165-V1182 VanDerWaalsContact O-O 3.09Å; M1165-V1182 HydrophobicContact SD-CG2 4.32Å; Y1167-V1182 HydrophobicContact CD1-CG1 3.65Å; Y1167-V1182 HydrophobicContact CD1-CG2 4.07Å; Y1167-V1182 HydrophobicContact CE1-CG1 3.39Å
1183K90.2Very high91.7Very high165 Ų16524.7 Ų24.772%0.71713%0.133SC*.  trans-61129.2174.3-173.6171.8-175.5170.60110.5S1185 N1188K1183-S1185 PolarHBondContact O-N 2.88Å; K1183-S1185 VanDerWaalsContact O-N 3.16Å; K1183-N1188 PolarHBondContact O-ND2 3.08Å
1184P91.6Very high92.1Very high40 Ų4023.5 Ų23.526%0.2613%0.127SC..  trans-63116.8174.324.5-33.3000110.8I1163 M1165 L1264I1163-P1184 HydrophobicContact CB-CB 4.34Å; I1163-P1184 HydrophobicContact CB-CG 4.01Å; I1163-P1184 HydrophobicContact CG2-CB 3.64Å; I1163-P1184 HydrophobicContact CG2-CG 3.87Å; M1165-P1184 HydrophobicContact CB-CB 4.21Å; P1184-L1264 HydrophobicContact CB-CD2 3.99Å
1185S90.6Very high92.4Very high35 Ų3523.1 Ų23.125%0.24513%0.125CC..  trans-168137.2-178177.30000110K1183 V1187 N1188K1183-S1185 PolarHBondContact O-N 2.88Å; K1183-S1185 VanDerWaalsContact O-N 3.16Å; S1185-V1187 PolarHBondContact O-N 2.87Å; S1185-V1187 VanDerWaalsContact O-N 3.15Å; S1185-V1187 PolarHBondContact OG-N 2.75Å; S1185-N1188 PolarHBondContact O-N 2.59Å
1186V91.7Very high92.6Very high1 Ų123.1 Ų23.11%0.00612%0.124CC..G310 helixtrans-56.1-30.5172.7176.40000112.1N1188 L1189 W1261 L1264 G1266 K1268 Y1270V1186-N1188 PolarHBondContact O-N 2.93Å; V1186-N1188 VanDerWaalsContact O-N 3.11Å; V1186-L1189 HydrophobicContact CG1-CD1 4.49Å; V1186-L1189 PolarHBondContact O-N 3.13Å; V1186-L1189 VanDerWaalsContact O-N 3.1Å; V1186-W1261 HydrophobicContact CG1-CZ3 4.09Å; V1186-W1261 HydrophobicContact CG2-CE3 3.94Å; V1186-W1261 HydrophobicContact CG2-CZ3 3.96Å; V1186-L1264 HydrophobicContact CG2-CB 3.54Å; V1186-L1264 HydrophobicContact CG2-CD1 4.35Å; V1186-L1264 PolarHBondContact N-O 3.37Å; V1186-G1266 WeakPolarHBondContact CG2-O 3.31Å; V1186-K1268 HydrophobicContact CB-CB 4.21Å; V1186-K1268 HydrophobicContact CG1-CB 3.89Å; V1186-K1268 WeakPolarHBondContact CG1-O 3.22Å; V1186-Y1270 HydrophobicContact CG1-CD1 3.88Å; V1186-Y1270 HydrophobicContact CG1-CG 4.42Å; V1186-Y1270 VanDerWaalsContact O-CB 3.29Å; V1186-Y1270 WeakPolarHBondContact O-CB 3.36Å
1187V87Confident92.9Very high63 Ų6322.9 Ų22.938%0.38212%0.123SC..G310 helixtrans-62.4-18.7178.8-178.80000112.7S1185 H1368S1185-V1187 PolarHBondContact O-N 2.87Å; S1185-V1187 VanDerWaalsContact O-N 3.15Å; S1185-V1187 PolarHBondContact OG-N 2.75Å; V1187-H1368 PolarHBondContact O-CE1 3.43Å
1188N88.8Confident93.1Very high55 Ų5523 Ų2329%0.29412%0.123SC..G310 helixtrans-93.7-4.2179.4-67.9-11.9000113.7M1165 K1183 S1185 V1186 Y1195M1165-N1188 HydrophobicContact CE-CB 4.03Å; K1183-N1188 PolarHBondContact O-ND2 3.08Å; S1185-N1188 PolarHBondContact O-N 2.59Å; V1186-N1188 PolarHBondContact O-N 2.93Å; V1186-N1188 VanDerWaalsContact O-N 3.11Å; N1188-Y1195 WeakPolarHBondContact O-CE1 3.49Å; N1188-Y1195 VanDerWaalsContact O-CZ 3.24Å; N1188-Y1195 PolarHBondContact O-OH 2.71Å
1189L92.6Very high93.2Very high1 Ų122.9 Ų22.91%0.00512%0.123CC..  trans-77.4146.2176.1-69.7173.8000111.6M1165 V1186 Y1195 W1220 F1260 W1261 L1264 Y1270M1165-L1189 HydrophobicContact CE-CD2 3.64Å; M1165-L1189 HydrophobicContact CE-CG 4.07Å; V1186-L1189 HydrophobicContact CG1-CD1 4.49Å; V1186-L1189 PolarHBondContact O-N 3.13Å; V1186-L1189 VanDerWaalsContact O-N 3.1Å; L1189-Y1195 HydrophobicContact CD2-CD1 4.17Å; L1189-Y1195 HydrophobicContact CD2-CD2 4.16Å; L1189-Y1195 HydrophobicContact CD2-CE1 4.35Å; L1189-Y1195 HydrophobicContact CD2-CE2 4.33Å; L1189-Y1195 HydrophobicContact CD2-CG 4.07Å; L1189-W1220 HydrophobicContact CD2-CD2 4.26Å; L1189-W1220 HydrophobicContact CD2-CE3 4.09Å; L1189-W1220 HydrophobicContact CD2-CZ3 4.28Å; L1189-F1260 HydrophobicContact CD1-CE1 4Å; L1189-F1260 HydrophobicContact CD1-CZ 4.01Å; L1189-F1260 HydrophobicContact CD2-CZ 4.37Å; L1189-W1261 HydrophobicContact CD1-CZ3 4.22Å; L1189-L1264 HydrophobicContact CD1-CD1 3.87Å; L1189-L1264 HydrophobicContact CG-CD1 4.42Å; L1189-Y1270 HydrophobicContact CB-CD2 4.08Å; L1189-Y1270 HydrophobicContact CB-CG 4.01Å
1190N93.2Very high93.1Very high7 Ų723 Ų234%0.03712%0.123CC..BIsolated β-bridgetrans-146.6129.5173.6-167.7-59.4000111.3C1192 F1193 Y1195 D1271 S1273N1190-C1192 PolarHBondContact O-N 2.75Å; N1190-C1192 WeakPolarHBondContact OD1-CB 3.34Å; N1190-C1192 PolarHBondContact OD1-N 3.35Å; N1190-F1193 HydrophobicContact CB-CD2 3.78Å; N1190-F1193 HydrophobicContact CB-CE2 4.15Å; N1190-F1193 PolarHBondContact O-N 2.87Å; N1190-Y1195 WeakPolarHBondContact CB-OH 3.18Å; N1190-Y1195 PolarHBondContact N-OH 3.41Å; N1190-D1271 WeakPolarHBondContact CA-O 3.45Å; N1190-S1273 PolarHBondContact ND2-O 2.91Å
1191S94.8Very high93Very high1 Ų123.5 Ų23.51%0.00713%0.129CC..THydrogen-bonded Turntrans-57.6-17.1-179.7-490000114.6G1222 S1223 K1224 S1225 E1253 D1271 T1272S1191-G1222 CarbonylContact O-C 3.59Å; S1191-G1222 WeakPolarHBondContact O-CA 3.33Å; S1191-S1223 PolarHBondContact O-N 3.34Å; S1191-K1224 CarbonylContact O-C 3.59Å; S1191-K1224 WeakPolarHBondContact O-CA 3.19Å; S1191-K1224 WeakPolarHBondContact O-CB 3.46Å; S1191-K1224 PolarHBondContact O-N 2.92Å; S1191-S1225 PolarHBondContact O-N 3.36Å; S1191-E1253 WeakPolarHBondContact CB-OE1 3.23Å; S1191-E1253 WeakPolarHBondContact CB-OE2 3.43Å; S1191-E1253 PolarHBondContact OG-OE1 3.01Å; S1191-E1253 PolarHBondContact OG-OE2 3.34Å; S1191-D1271 PolarHBondContact N-O 3.34Å; S1191-D1271 VanDerWaalsContact N-O 3.17Å; S1191-T1272 WeakPolarHBondContact OG-CA 3.45Å; S1191-T1272 WeakPolarHBondContact OG-CB 3.32Å; S1191-T1272 WeakPolarHBondContact OG-CG2 3.41Å
1192C92.5Very high92.8Very high32 Ų3227 Ų2722%0.21615%0.145CC..THydrogen-bonded Turntrans-87.7-8.7177.5-71.70000115N1190 K1224 S1225 A1274N1190-C1192 PolarHBondContact O-N 2.75Å; N1190-C1192 WeakPolarHBondContact OD1-CB 3.34Å; N1190-C1192 PolarHBondContact OD1-N 3.35Å; C1192-K1224 HydrophobicContact CB-CB 4.49Å; C1192-S1225 WeakPolarHBondContact O-CA 3.49Å; C1192-A1274 HydrophobicContact CB-CB 3.56Å
1193F93.7Very high92.8Very high19 Ų1927.3 Ų27.38%0.08315%0.145CC..SBendtrans-120.1166.3-175.1-53.2-38.5000112.9Y1167 R1169 N1190 Y1195 G1222 A1274 F1276 L1277Y1167-F1193 HydrophobicContact CD2-CD2 4.49Å; R1169-F1193 HydrophobicContact CG-CE1 4.28Å; R1169-F1193 HydrophobicContact CG-CZ 4.33Å; N1190-F1193 HydrophobicContact CB-CD2 3.78Å; N1190-F1193 HydrophobicContact CB-CE2 4.15Å; N1190-F1193 PolarHBondContact O-N 2.87Å; F1193-Y1195 HydrophobicContact CB-CD2 4.39Å; F1193-Y1195 HydrophobicContact CB-CE2 3.66Å; F1193-G1222 PolarHBondContact O-N 2.98Å; F1193-A1274 HydrophobicContact CE1-CB 3.85Å; F1193-A1274 HydrophobicContact CE2-CB 4.33Å; F1193-A1274 HydrophobicContact CZ-CB 3.54Å; F1193-F1276 HydrophobicContact CE2-CZ 4.1Å; F1193-F1276 HydrophobicContact CZ-CE2 4.17Å; F1193-F1276 AromaticContact CZ-CZ 3.94Å; F1193-F1276 HydrophobicContact CZ-CZ 3.94Å; F1193-L1277 HydrophobicContact CE1-CD1 3.68Å; F1193-L1277 HydrophobicContact CZ-CD1 3.99Å
1194T94.9Very high92.9Very high1 Ų119.4 Ų19.41%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-109.1140.4173.5-50.10000110I1168 V1219 W1220 T1221 A1233I1168-T1194 PolarHBondContact N-O 2.93Å; T1194-V1219 HydrophobicContact CG2-CG1 4.11Å; T1194-W1220 WeakPolarHBondContact CG2-O 3.48Å; T1194-T1221 HydrophobicContact CG2-CG2 3.95Å; T1194-A1233 HydrophobicContact CG2-CB 3.29Å
1195Y95.8Very high92.9Very high5 Ų518.2 Ų18.22%0.0210%0.103CC..EExtended strand (participates in β ladder)trans-129.6146.8-172.1-66.5-102.6000111.6M1165 Y1166 Y1167 N1188 L1189 N1190 F1193 V1219 W1220M1165-Y1195 HydrophobicContact CE-CD1 3.39Å; M1165-Y1195 HydrophobicContact CE-CE1 3.62Å; M1165-Y1195 HydrophobicContact CE-CG 4.34Å; Y1166-Y1195 CarbonylContact O-C 3.55Å; Y1166-Y1195 VanDerWaalsContact O-CA 3.24Å; Y1166-Y1195 WeakPolarHBondContact O-CA 3.37Å; Y1166-Y1195 WeakPolarHBondContact O-CB 3.43Å; Y1167-Y1195 VanDerWaalsContact CB-CD1 3.45Å; Y1167-Y1195 HydrophobicContact CG-CE1 4.22Å; N1188-Y1195 WeakPolarHBondContact O-CE1 3.49Å; N1188-Y1195 VanDerWaalsContact O-CZ 3.24Å; N1188-Y1195 PolarHBondContact O-OH 2.71Å; L1189-Y1195 HydrophobicContact CD2-CD1 4.17Å; L1189-Y1195 HydrophobicContact CD2-CD2 4.16Å; L1189-Y1195 HydrophobicContact CD2-CE1 4.35Å; L1189-Y1195 HydrophobicContact CD2-CE2 4.33Å; L1189-Y1195 HydrophobicContact CD2-CG 4.07Å; N1190-Y1195 WeakPolarHBondContact CB-OH 3.18Å; N1190-Y1195 PolarHBondContact N-OH 3.41Å; F1193-Y1195 HydrophobicContact CB-CD2 4.39Å; F1193-Y1195 HydrophobicContact CB-CE2 3.66Å; Y1195-V1219 CarbonylContact O-C 3.56Å; Y1195-V1219 WeakPolarHBondContact O-CA 3.35Å; Y1195-W1220 AromaticContact CD2-CE3 3.58Å; Y1195-W1220 HydrophobicContact CD2-CE3 3.58Å; Y1195-W1220 AromaticContact CD2-CZ3 3.81Å; Y1195-W1220 HydrophobicContact CD2-CZ3 3.81Å; Y1195-W1220 HydrophobicContact CE2-CE3 4.19Å; Y1195-W1220 AromaticContact CE2-CZ3 3.93Å; Y1195-W1220 HydrophobicContact CE2-CZ3 3.93Å; Y1195-W1220 HydrophobicContact CG-CE3 4.39Å; Y1195-W1220 PolarHBondContact N-O 3.49Å; Y1195-W1220 PolarHBondContact O-N 3.16Å
1196I96.6Very high92.8Very high0 Ų021.7 Ų21.70%012%0.123CC..EExtended strand (participates in β ladder)trans-118.9118.8174.5-53.7167.2000107.9M1165 Y1166 I1168 V1217 Y1218 A1233 L1236 M1240 F1241M1165-I1196 CarbonylContact C-O 3.44Å; M1165-I1196 WeakPolarHBondContact CA-O 3.41Å; Y1166-I1196 PolarHBondContact N-O 3.36Å; Y1166-I1196 PolarHBondContact O-N 2.71Å; I1168-I1196 HydrophobicContact CD1-CD1 4.24Å; I1196-V1217 HydrophobicContact CG2-CG1 3.82Å; I1196-Y1218 CarbonylContact C-O 3.51Å; I1196-Y1218 WeakPolarHBondContact CA-O 3.49Å; I1196-A1233 HydrophobicContact CG1-CB 4.46Å; I1196-L1236 HydrophobicContact CD1-CB 4.1Å; I1196-M1240 HydrophobicContact CD1-SD 4.38Å; I1196-F1241 HydrophobicContact CG2-CD2 4.37Å; I1196-F1241 HydrophobicContact CG2-CE2 3.94Å
1197I96.3Very high92.6Very high1 Ų124.7 Ų24.71%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-123.8111.3-174.2-42.9-168.8000110.4I1163 Q1164 M1165 V1217 Y1218 F1260 L1264I1163-I1197 HydrophobicContact CG2-CG2 4.39Å; Q1164-I1197 CarbonylContact O-C 3.54Å; Q1164-I1197 WeakPolarHBondContact O-CA 3.04Å; M1165-I1197 HydrophobicContact CB-CG2 4.45Å; M1165-I1197 HydrophobicContact CE-CD1 4.39Å; M1165-I1197 HydrophobicContact CG-CD1 4.25Å; M1165-I1197 HydrophobicContact CG-CG1 4.13Å; M1165-I1197 HydrophobicContact SD-CD1 4.33Å; I1197-V1217 WeakPolarHBondContact O-CA 3.31Å; I1197-Y1218 PolarHBondContact N-O 3.1Å; I1197-Y1218 PolarHBondContact O-N 3.46Å; I1197-F1260 HydrophobicContact CD1-CD2 4.39Å; I1197-F1260 HydrophobicContact CD1-CE2 3.6Å; I1197-F1260 HydrophobicContact CD1-CZ 4.07Å; I1197-L1264 HydrophobicContact CD1-CD1 4.05Å; I1197-L1264 HydrophobicContact CD1-CD2 4.23Å
1198K95.6Very high92.6Very high3 Ų325.6 Ų25.61%0.01314%0.139CC..EExtended strand (participates in β ladder)trans-98.3119.6-179.9-175.7-102.4173159.60111.1L1160 I1163 Q1164 C1215 H1216 V1217 F1241L1160-K1198 PolarHBondContact O-NZ 2.73Å; I1163-K1198 WeakPolarHBondContact CA-O 3.19Å; Q1164-K1198 HydrophobicContact CB-CB 4.44Å; Q1164-K1198 PolarHBondContact N-O 2.82Å; Q1164-K1198 PolarHBondContact O-N 3.38Å; K1198-C1215 WeakPolarHBondContact CE-SG 3.45Å; K1198-H1216 CarbonylContact C-O 3.55Å; K1198-H1216 WeakPolarHBondContact CA-O 3.48Å; K1198-V1217 HydrophobicContact CB-CG2 4.24Å; K1198-V1217 HydrophobicContact CG-CG2 3.96Å; K1198-F1241 HydrophobicContact CB-CE1 4.07Å; K1198-F1241 HydrophobicContact CB-CE2 4.21Å; K1198-F1241 HydrophobicContact CB-CZ 3.88Å; K1198-F1241 HydrophobicContact CD-CE1 4.36Å; K1198-F1241 HydrophobicContact CG-CD1 4.15Å; K1198-F1241 HydrophobicContact CG-CE1 3.99Å; K1198-F1241 HydrophobicContact CG-CZ 4.31Å
1199V95.4Very high92.4Very high0 Ų032.2 Ų32.20%017%0.165CC..EExtended strand (participates in β ladder)trans-106.5120.1179.5-169.20000109.8I1203 V1204 C1215 H1216 Y1218 V1263V1199-I1203 HydrophobicContact CG1-CB 4.1Å; V1199-I1203 HydrophobicContact CG1-CG2 3.99Å; V1199-V1204 HydrophobicContact CB-CG2 4.16Å; V1199-V1204 HydrophobicContact CG1-CG2 3.77Å; V1199-C1215 CarbonylContact O-C 3.51Å; V1199-C1215 VanDerWaalsContact O-CA 3.22Å; V1199-C1215 WeakPolarHBondContact O-CA 3.32Å; V1199-C1215 VanDerWaalsContact O-CB 3.23Å; V1199-C1215 WeakPolarHBondContact O-CB 3.38Å; V1199-H1216 HydrophobicContact CB-CB 4.43Å; V1199-H1216 PolarHBondContact N-O 2.85Å; V1199-H1216 PolarHBondContact O-N 2.85Å; V1199-Y1218 HydrophobicContact CG2-CD2 4.07Å; V1199-Y1218 HydrophobicContact CG2-CE2 3.89Å; V1199-V1263 HydrophobicContact CG1-CG2 3.76Å; V1199-V1263 HydrophobicContact CG2-CG1 3.92Å; V1199-V1263 HydrophobicContact CG2-CG2 4.04Å
1200P94.2Very high92.1Very high3 Ų338.6 Ų38.62%0.01919%0.192CC..  trans-58.9142.4175.7-23.731.4000113.9E1161 R1162 H1202 I1203 V1204E1161-P1200 VanDerWaalsContact C-CG 3.46Å; E1161-P1200 VanDerWaalsContact O-CG 3.27Å; E1161-P1200 WeakPolarHBondContact O-CG 3.42Å; R1162-P1200 VanDerWaalsContact C-CG 3.49Å; R1162-P1200 WeakPolarHBondContact O-CG 3.5Å; P1200-H1202 VanDerWaalsContact C-N 3.26Å; P1200-H1202 PolarHBondContact O-N 3.32Å; P1200-H1202 VanDerWaalsContact O-N 3.16Å; P1200-I1203 HydrophobicContact CB-CD1 4.47Å; P1200-I1203 HydrophobicContact CB-CG1 4.3Å; P1200-I1203 HydrophobicContact CG-CD1 4.1Å; P1200-I1203 HydrophobicContact CG-CG1 4.47Å; P1200-I1203 WeakPolarHBondContact O-CB 3.46Å; P1200-I1203 PolarHBondContact O-N 3.5Å; P1200-V1204 PolarHBondContact O-N 2.9Å; P1200-V1204 VanDerWaalsContact O-N 3.13Å
1201A91.8Very high91.7Very high17 Ų1746.6 Ų46.614%0.1423%0.23CC..Hα-helixtrans-54.1-35.9-177.600000114.7I1203 V1204 S1205 D1213 K1214A1201-I1203 VanDerWaalsContact C-N 3.34Å; A1201-V1204 PolarHBondContact O-N 2.96Å; A1201-S1205 WeakPolarHBondContact O-CB 3.49Å; A1201-S1205 PolarHBondContact O-N 2.74Å; A1201-S1205 PolarHBondContact O-OG 2.85Å; A1201-D1213 VanDerWaalsContact CB-C 3.46Å; A1201-D1213 VanDerWaalsContact CB-O 3.23Å; A1201-D1213 WeakPolarHBondContact CB-O 3.22Å; A1201-K1214 VanDerWaalsContact CA-O 3.31Å; A1201-K1214 WeakPolarHBondContact CA-O 3.19Å; A1201-K1214 VanDerWaalsContact CB-C 3.47Å; A1201-K1214 VanDerWaalsContact CB-O 3.25Å; A1201-K1214 WeakPolarHBondContact CB-O 3.22Å
1202H90.7Very high91.3Very high92 Ų9247.7 Ų47.743%0.42624%0.236SC..Hα-helixtrans-68.8-32.7177.376.5-108.5000112.3E1161 P1200 S1205 V1206E1161-H1202 PolarHBondContact O-CE1 2.8Å; P1200-H1202 VanDerWaalsContact C-N 3.26Å; P1200-H1202 PolarHBondContact O-N 3.32Å; P1200-H1202 VanDerWaalsContact O-N 3.16Å; H1202-S1205 PolarHBondContact O-N 3Å; H1202-V1206 WeakPolarHBondContact O-CB 3.46Å; H1202-V1206 VanDerWaalsContact O-CG2 3.29Å; H1202-V1206 WeakPolarHBondContact O-CG2 3.32Å; H1202-V1206 PolarHBondContact O-N 2.93Å
1203I91.4Very high91.1Very high32 Ų3252.4 Ų52.416%0.16426%0.259CS..Hα-helixtrans-73.2-42.8176.9-59.6-172.7000110.1I1163 V1199 P1200 A1201 S1205 V1206 L1207 V1263I1163-I1203 HydrophobicContact CD1-CD1 3.92Å; I1163-I1203 HydrophobicContact CG1-CD1 3.7Å; V1199-I1203 HydrophobicContact CG1-CB 4.1Å; V1199-I1203 HydrophobicContact CG1-CG2 3.99Å; P1200-I1203 HydrophobicContact CB-CD1 4.47Å; P1200-I1203 HydrophobicContact CB-CG1 4.3Å; P1200-I1203 HydrophobicContact CG-CD1 4.1Å; P1200-I1203 HydrophobicContact CG-CG1 4.47Å; P1200-I1203 WeakPolarHBondContact O-CB 3.46Å; P1200-I1203 PolarHBondContact O-N 3.5Å; A1201-I1203 VanDerWaalsContact C-N 3.34Å; I1203-S1205 VanDerWaalsContact C-N 3.32Å; I1203-S1205 PolarHBondContact O-N 3.23Å; I1203-V1206 PolarHBondContact O-N 2.99Å; I1203-L1207 HydrophobicContact CG2-CD1 3.7Å; I1203-L1207 HydrophobicContact CG2-CG 4.28Å; I1203-L1207 WeakPolarHBondContact O-CB 3.13Å; I1203-L1207 WeakPolarHBondContact O-CG 3.43Å; I1203-L1207 PolarHBondContact O-N 3.19Å; I1203-V1263 HydrophobicContact CG2-CG2 4.39Å
1204V91.8Very high91Very high0 Ų055.3 Ų55.30%027%0.272CS..Hα-helixtrans-56.2-49.4171.3-1750000109.7V1199 P1200 A1201 V1206 L1207 E1208 T1212 H1216 L1259V1199-V1204 HydrophobicContact CB-CG2 4.16Å; V1199-V1204 HydrophobicContact CG1-CG2 3.77Å; P1200-V1204 PolarHBondContact O-N 2.9Å; P1200-V1204 VanDerWaalsContact O-N 3.13Å; A1201-V1204 PolarHBondContact O-N 2.96Å; V1204-V1206 PolarHBondContact O-N 2.92Å; V1204-L1207 PolarHBondContact O-N 2.83Å; V1204-E1208 HydrophobicContact CG1-CG 4.07Å; V1204-E1208 WeakPolarHBondContact O-CB 3.26Å; V1204-E1208 PolarHBondContact O-N 2.62Å; V1204-T1212 HydrophobicContact CB-CG2 3.82Å; V1204-T1212 HydrophobicContact CG1-CG2 3.72Å; V1204-H1216 HydrophobicContact CG2-CB 4.24Å; V1204-L1259 HydrophobicContact CB-CD2 4.49Å; V1204-L1259 HydrophobicContact CG1-CD2 4.06Å; V1204-L1259 HydrophobicContact CG2-CD2 4.27Å
1205S90.7Very high90.9Very high14 Ų1455.9 Ų55.910%0.09828%0.276CS..Hα-helixtrans-58.2-43.2-179.8-63.70000113.6A1201 H1202 I1203 K1209 K1210 T1212A1201-S1205 WeakPolarHBondContact O-CB 3.49Å; A1201-S1205 PolarHBondContact O-N 2.74Å; A1201-S1205 PolarHBondContact O-OG 2.85Å; H1202-S1205 PolarHBondContact O-N 3Å; I1203-S1205 VanDerWaalsContact C-N 3.32Å; I1203-S1205 PolarHBondContact O-N 3.23Å; S1205-K1209 VanDerWaalsContact O-CA 3.29Å; S1205-K1209 WeakPolarHBondContact O-CA 3.47Å; S1205-K1209 PolarHBondContact O-N 2.83Å; S1205-K1209 VanDerWaalsContact O-N 3.13Å; S1205-K1210 WeakPolarHBondContact CA-O 3.4Å; S1205-K1210 PolarHBondContact O-N 3.02Å; S1205-T1212 WeakPolarHBondContact OG-CG2 3.21Å; S1205-T1212 PolarHBondContact OG-N 3.21Å; S1205-T1212 PolarHBondContact OG-O 2.69Å; S1205-T1212 VanDerWaalsContact OG-O 3.08Å
1206V88.8Confident90.9Very high108 Ų10856.3 Ų56.366%0.65528%0.278SS*.Hα-helixtrans-70.8-42.5179.8167.10000112.2H1202 I1203 V1204H1202-V1206 WeakPolarHBondContact O-CB 3.46Å; H1202-V1206 VanDerWaalsContact O-CG2 3.29Å; H1202-V1206 WeakPolarHBondContact O-CG2 3.32Å; H1202-V1206 PolarHBondContact O-N 2.93Å; I1203-V1206 PolarHBondContact O-N 2.99Å; V1204-V1206 PolarHBondContact O-N 2.92Å
1207L87.5Confident90.8Very high64 Ų6456.3 Ų56.334%0.33528%0.278SS..Hα-helixtrans-82.1-39.7-173.5-68.5-179.3000113.1I1203 V1204 K1209 L1259 Q1262 V1263I1203-L1207 HydrophobicContact CG2-CD1 3.7Å; I1203-L1207 HydrophobicContact CG2-CG 4.28Å; I1203-L1207 WeakPolarHBondContact O-CB 3.13Å; I1203-L1207 WeakPolarHBondContact O-CG 3.43Å; I1203-L1207 PolarHBondContact O-N 3.19Å; V1204-L1207 PolarHBondContact O-N 2.83Å; L1207-K1209 VanDerWaalsContact C-N 3.32Å; L1207-L1259 HydrophobicContact CB-CD1 3.48Å; L1207-L1259 VanDerWaalsContact CB-CD1 3.48Å; L1207-L1259 HydrophobicContact CD1-CD1 3.53Å; L1207-L1259 HydrophobicContact CG-CD1 4.14Å; L1207-Q1262 HydrophobicContact CD1-CB 4.07Å; L1207-V1263 HydrophobicContact CD1-CG2 4.19Å
1208E88.1Confident90.8Very high83 Ų8356.5 Ų56.539%0.38828%0.279SS..Hα-helixtrans-80.5-12.7173.7-58.5-154.8147.600113.4V1204 K1210 L1259V1204-E1208 HydrophobicContact CG1-CG 4.07Å; V1204-E1208 WeakPolarHBondContact O-CB 3.26Å; V1204-E1208 PolarHBondContact O-N 2.62Å; E1208-K1210 HydrophobicContact CB-CB 4.31Å; E1208-K1210 PolarHBondContact O-N 2.89Å; E1208-L1259 HydrophobicContact CG-CD2 3.96Å
1209K84.8Confident90.8Very high193 Ų19356.6 Ų56.684%0.83928%0.28SS*.THydrogen-bonded Turntrans59.633.5-174.8-51175.7-175.6174.80113.1S1205 L1207S1205-K1209 VanDerWaalsContact O-CA 3.29Å; S1205-K1209 WeakPolarHBondContact O-CA 3.47Å; S1205-K1209 PolarHBondContact O-N 2.83Å; S1205-K1209 VanDerWaalsContact O-N 3.13Å; L1207-K1209 VanDerWaalsContact C-N 3.32Å
1210K84.8Confident90.9Very high135 Ų13556.6 Ų56.659%0.58728%0.28SS*.SBendtrans-135.9113.5-174.8175.8-167.6169-161.20108.7S1205 E1208 T1212S1205-K1210 WeakPolarHBondContact CA-O 3.4Å; S1205-K1210 PolarHBondContact O-N 3.02Å; E1208-K1210 HydrophobicContact CB-CB 4.31Å; E1208-K1210 PolarHBondContact O-N 2.89Å; K1210-T1212 PolarHBondContact O-N 2.82Å
1211Q84.8Confident90.9Very high175 Ų17557.3 Ų57.382%0.81828%0.284SS*.  trans-57.4125.1-179.4-169.366.430.900111.1
1212T87.8Confident90.9Very high24 Ų2456.5 Ų56.515%0.14728%0.278CS..  trans-142.7143174.6-178.80000110.5V1204 S1205 K1210 K1214V1204-T1212 HydrophobicContact CB-CG2 3.82Å; V1204-T1212 HydrophobicContact CG1-CG2 3.72Å; S1205-T1212 WeakPolarHBondContact OG-CG2 3.21Å; S1205-T1212 PolarHBondContact OG-N 3.21Å; S1205-T1212 PolarHBondContact OG-O 2.69Å; S1205-T1212 VanDerWaalsContact OG-O 3.08Å; K1210-T1212 PolarHBondContact O-N 2.82Å; T1212-K1214 PolarHBondContact OG1-N 2.84Å; T1212-K1214 VanDerWaalsContact OG1-N 3.13Å; T1212-K1214 PolarHBondContact OG1-O 2.7Å
1213D87.7Confident91.1Very high131 Ų13156.1 Ų56.170%0.70129%0.285SS*.SBendtrans-91.1-17.417061.6-27.3000112.3A1201A1201-D1213 VanDerWaalsContact CB-C 3.46Å; A1201-D1213 VanDerWaalsContact CB-O 3.23Å; A1201-D1213 WeakPolarHBondContact CB-O 3.22Å
1214K91.6Very high91.1Very high80 Ų8060.5 Ų60.535%0.34830%0.303SS..  trans-84140.8179-64.5-174.1173.7-173.80113.7A1201 T1212 P1245 D1247A1201-K1214 VanDerWaalsContact CA-O 3.31Å; A1201-K1214 WeakPolarHBondContact CA-O 3.19Å; A1201-K1214 VanDerWaalsContact CB-C 3.47Å; A1201-K1214 VanDerWaalsContact CB-O 3.25Å; A1201-K1214 WeakPolarHBondContact CB-O 3.22Å; T1212-K1214 PolarHBondContact OG1-N 2.84Å; T1212-K1214 VanDerWaalsContact OG1-N 3.13Å; T1212-K1214 PolarHBondContact OG1-O 2.7Å; K1214-P1245 WeakPolarHBondContact CA-O 3.46Å; K1214-P1245 HydrophobicContact CG-CB 4.29Å; K1214-D1247 VanDerWaalsContact CD-CG 3.44Å; K1214-D1247 WeakPolarHBondContact CD-OD1 3.29Å; K1214-D1247 VanDerWaalsContact CD-OD2 3.22Å; K1214-D1247 WeakPolarHBondContact CD-OD2 3.5Å; K1214-D1247 IonicContact NZ-OD1 2.76Å; K1214-D1247 PolarHBondContact NZ-OD1 2.82Å; K1214-D1247 IonicContact NZ-OD2 3.2Å
1215C92.9Very high91Very high14 Ų1461 Ų6110%0.09531%0.306CS..EExtended strand (participates in β ladder)trans-72165162.7-61.40000111.1K1198 V1199 P1245 A1246 D1247K1198-C1215 WeakPolarHBondContact CE-SG 3.45Å; V1199-C1215 CarbonylContact O-C 3.51Å; V1199-C1215 VanDerWaalsContact O-CA 3.22Å; V1199-C1215 WeakPolarHBondContact O-CA 3.32Å; V1199-C1215 VanDerWaalsContact O-CB 3.23Å; V1199-C1215 WeakPolarHBondContact O-CB 3.38Å; C1215-P1245 PolarHBondContact N-O 2.81Å; C1215-A1246 HydrophobicContact CB-CB 4.27Å; C1215-A1246 WeakPolarHBondContact O-CA 3.22Å; C1215-D1247 PolarHBondContact O-N 2.97Å
1216H94.7Very high90.9Very high14 Ų1462.3 Ų62.37%0.06532%0.315CS..EExtended strand (participates in β ladder)trans-115.3129.9166-74.4-6.7000110K1198 V1199 V1204 Y1218 D1247 H1249K1198-H1216 CarbonylContact C-O 3.55Å; K1198-H1216 WeakPolarHBondContact CA-O 3.48Å; V1199-H1216 HydrophobicContact CB-CB 4.43Å; V1199-H1216 PolarHBondContact N-O 2.85Å; V1199-H1216 PolarHBondContact O-N 2.85Å; V1204-H1216 HydrophobicContact CG2-CB 4.24Å; H1216-Y1218 HydrophobicContact CB-CE2 4Å; H1216-D1247 WeakPolarHBondContact CA-O 3.44Å; H1216-D1247 IonicContact CE1-OD2 2.64Å; H1216-D1247 PolarHBondContact CE1-OD2 2.98Å; H1216-D1247 IonicContact ND1-OD2 3.58Å; H1216-H1249 AromaticContact CD2-NE2 3.76Å; H1216-H1249 AromaticContact CE1-NE2 3.71Å; H1216-H1249 AromaticContact CG-NE2 3.57Å; H1216-H1249 AromaticContact ND1-NE2 3.54Å; H1216-H1249 AromaticContact NE2-NE2 3.84Å
1217V95.8Very high90.8Very high0 Ų061.6 Ų61.60%032%0.315CS..EExtended strand (participates in β ladder)trans-114.5105.4177.2178.50000108.1I1196 I1197 K1198 F1241 A1246 D1247 F1248 H1249I1196-V1217 HydrophobicContact CG2-CG1 3.82Å; I1197-V1217 WeakPolarHBondContact O-CA 3.31Å; K1198-V1217 HydrophobicContact CB-CG2 4.24Å; K1198-V1217 HydrophobicContact CG-CG2 3.96Å; V1217-F1241 HydrophobicContact CG1-CD2 4.05Å; V1217-F1241 HydrophobicContact CG2-CB 4.16Å; V1217-F1241 HydrophobicContact CG2-CD2 4.2Å; V1217-F1241 HydrophobicContact CG2-CG 4.2Å; V1217-A1246 HydrophobicContact CG2-CB 3.99Å; V1217-D1247 PolarHBondContact N-O 3.23Å; V1217-F1248 HydrophobicContact CB-CD1 3.79Å; V1217-F1248 HydrophobicContact CB-CE1 3.99Å; V1217-F1248 HydrophobicContact CB-CG 4.39Å; V1217-F1248 HydrophobicContact CG1-CD1 3.77Å; V1217-F1248 HydrophobicContact CG1-CE1 3.87Å; V1217-F1248 HydrophobicContact CG2-CD1 4.47Å; V1217-F1248 HydrophobicContact CG2-CE1 4.22Å; V1217-F1248 WeakPolarHBondContact O-CA 3.42Å; V1217-H1249 PolarHBondContact O-N 2.89Å
1218Y96Very high90.7Very high5 Ų561.6 Ų61.62%0.0231%0.314CS..EExtended strand (participates in β ladder)trans-90.3119.3177.9-63.1-70.7000110.5I1196 I1197 V1199 H1216 W1220 H1249 V1251 P1257 F1260I1196-Y1218 CarbonylContact C-O 3.51Å; I1196-Y1218 WeakPolarHBondContact CA-O 3.49Å; I1197-Y1218 PolarHBondContact N-O 3.1Å; I1197-Y1218 PolarHBondContact O-N 3.46Å; V1199-Y1218 HydrophobicContact CG2-CD2 4.07Å; V1199-Y1218 HydrophobicContact CG2-CE2 3.89Å; H1216-Y1218 HydrophobicContact CB-CE2 4Å; Y1218-W1220 PolarHBondContact O-N 2.76Å; Y1218-H1249 CarbonylContact C-O 3.55Å; Y1218-H1249 WeakPolarHBondContact CA-O 3.41Å; Y1218-H1249 HydrophobicContact CD1-CB 3.52Å; Y1218-H1249 HydrophobicContact CE1-CB 3.76Å; Y1218-H1249 AromaticContact CE1-CD2 3.95Å; Y1218-H1249 AromaticContact CE1-CG 3.83Å; Y1218-V1251 HydrophobicContact CD1-CG2 3.67Å; Y1218-V1251 HydrophobicContact CE1-CG2 4.39Å; Y1218-P1257 HydrophobicContact CE1-CG 3.93Å; Y1218-F1260 HydrophobicContact CD2-CD2 4.4Å; Y1218-F1260 HydrophobicContact CG-CD2 4.35Å
1219V96.1Very high90.8Very high5 Ų559.1 Ų59.13%0.0330%0.303CS..EExtended strand (participates in β ladder)trans-90.393.7163.7-179.10000107T1194 Y1195 T1221 A1233 H1249 V1251T1194-V1219 HydrophobicContact CG2-CG1 4.11Å; Y1195-V1219 CarbonylContact O-C 3.56Å; Y1195-V1219 WeakPolarHBondContact O-CA 3.35Å; V1219-T1221 HydrophobicContact CG1-CG2 4.24Å; V1219-A1233 HydrophobicContact CG1-CB 3.75Å; V1219-H1249 PolarHBondContact N-O 3.05Å; V1219-V1251 PolarHBondContact O-N 3.46Å
1220W96.2Very high91Very high0 Ų053.5 Ų53.50%028%0.279CS..EExtended strand (participates in β ladder)trans-86.5124.3179.4-175.993.7000109.9L1189 T1194 Y1195 Y1218 V1251 E1253 E1256 F1260 Y1270L1189-W1220 HydrophobicContact CD2-CD2 4.26Å; L1189-W1220 HydrophobicContact CD2-CE3 4.09Å; L1189-W1220 HydrophobicContact CD2-CZ3 4.28Å; T1194-W1220 WeakPolarHBondContact CG2-O 3.48Å; Y1195-W1220 AromaticContact CD2-CE3 3.58Å; Y1195-W1220 HydrophobicContact CD2-CE3 3.58Å; Y1195-W1220 AromaticContact CD2-CZ3 3.81Å; Y1195-W1220 HydrophobicContact CD2-CZ3 3.81Å; Y1195-W1220 HydrophobicContact CE2-CE3 4.19Å; Y1195-W1220 AromaticContact CE2-CZ3 3.93Å; Y1195-W1220 HydrophobicContact CE2-CZ3 3.93Å; Y1195-W1220 HydrophobicContact CG-CE3 4.39Å; Y1195-W1220 PolarHBondContact N-O 3.49Å; Y1195-W1220 PolarHBondContact O-N 3.16Å; Y1218-W1220 PolarHBondContact O-N 2.76Å; W1220-V1251 CarbonylContact C-O 3.56Å; W1220-V1251 WeakPolarHBondContact CA-O 3.5Å; W1220-E1253 HydrophobicContact CH2-CB 4.31Å; W1220-E1253 HydrophobicContact CH2-CG 4.28Å; W1220-E1253 HydrophobicContact CZ2-CB 3.76Å; W1220-E1253 HydrophobicContact CZ2-CG 3.74Å; W1220-E1256 PolarHBondContact NE1-OE1 3.2Å; W1220-F1260 HydrophobicContact CB-CE2 3.91Å; W1220-F1260 HydrophobicContact CB-CZ 4.2Å; W1220-F1260 AromaticContact CD1-CE2 3.62Å; W1220-F1260 AromaticContact CD1-CZ 3.34Å; W1220-F1260 HydrophobicContact CD2-CZ 4.4Å; W1220-F1260 AromaticContact CG-CE2 3.92Å; W1220-F1260 HydrophobicContact CG-CE2 3.92Å; W1220-F1260 AromaticContact CG-CZ 3.74Å; W1220-F1260 HydrophobicContact CG-CZ 3.74Å; W1220-F1260 AromaticContact NE1-CZ 3.77Å; W1220-Y1270 HydrophobicContact CH2-CE2 4.3Å; W1220-Y1270 HydrophobicContact CZ2-CE2 4.37Å
1221T94.4Very high91.2Very high17 Ų1753.5 Ų53.510%0.10428%0.281CS..EExtended strand (participates in β ladder)trans-113.3111.8-173.457.90000109.9T1194 V1219 K1230 I1250 V1251 P1252 E1253T1194-T1221 HydrophobicContact CG2-CG2 3.95Å; V1219-T1221 HydrophobicContact CG1-CG2 4.24Å; T1221-K1230 HydrophobicContact CG2-CB 4.31Å; T1221-K1230 HydrophobicContact CG2-CD 4.38Å; T1221-K1230 HydrophobicContact CG2-CG 3.79Å; T1221-I1250 HydrophobicContact CG2-CG2 4.5Å; T1221-V1251 PolarHBondContact N-O 3.19Å; T1221-V1251 PolarHBondContact OG1-O 3.19Å; T1221-P1252 WeakPolarHBondContact OG1-CA 3.46Å; T1221-E1253 PolarHBondContact O-N 2.94Å
1222G93.2Very high91.6Very high1 Ų145.2 Ų45.21%0.0124%0.242CC..  trans-65.3143.2176.900000111.8S1191 F1193 K1224 S1225S1191-G1222 CarbonylContact O-C 3.59Å; S1191-G1222 WeakPolarHBondContact O-CA 3.33Å; F1193-G1222 PolarHBondContact O-N 2.98Å; G1222-K1224 PolarHBondContact O-N 3.31Å; G1222-S1225 PolarHBondContact N-OG 3.08Å; G1222-S1225 WeakPolarHBondContact O-CB 3.43Å; G1222-S1225 PolarHBondContact O-N 3.2Å; G1222-S1225 PolarHBondContact O-OG 3.16Å
1223S93.5Very high91.9Very high84 Ų8444.1 Ų44.159%0.58724%0.235SC*.THydrogen-bonded Turntrans-57.6-18.4-178570000114.8S1191 E1253S1191-S1223 PolarHBondContact O-N 3.34Å; S1223-E1253 WeakPolarHBondContact CB-OE2 3.27Å; S1223-E1253 PolarHBondContact N-OE2 3.03Å; S1223-E1253 PolarHBondContact OG-OE2 3.28Å
1224K92.1Very high92Very high124 Ų12438.9 Ų38.954%0.53921%0.212SC..THydrogen-bonded Turntrans-115.46.4178.7-57.3176.3-177175.80113.4S1191 C1192 G1222 T1272S1191-K1224 CarbonylContact O-C 3.59Å; S1191-K1224 WeakPolarHBondContact O-CA 3.19Å; S1191-K1224 WeakPolarHBondContact O-CB 3.46Å; S1191-K1224 PolarHBondContact O-N 2.92Å; C1192-K1224 HydrophobicContact CB-CB 4.49Å; G1222-K1224 PolarHBondContact O-N 3.31Å; K1224-T1272 PolarHBondContact NZ-O 2.97Å
1225S90.4Very high92Very high9 Ų939.5 Ų39.56%0.06321%0.212CC..SBendtrans-71.3150.7173.659.50000111.3S1191 C1192 G1222 K1230S1191-S1225 PolarHBondContact O-N 3.36Å; C1192-S1225 WeakPolarHBondContact O-CA 3.49Å; G1222-S1225 PolarHBondContact N-OG 3.08Å; G1222-S1225 WeakPolarHBondContact O-CB 3.43Å; G1222-S1225 PolarHBondContact O-N 3.2Å; G1222-S1225 PolarHBondContact O-OG 3.16Å; S1225-K1230 VanDerWaalsContact O-CE 3.31Å; S1225-K1230 WeakPolarHBondContact O-CE 3.32Å; S1225-K1230 PolarHBondContact O-NZ 3.29Å; S1225-K1230 WeakPolarHBondContact OG-CE 3.29Å
1226S86.9Confident92Very high42 Ų4238.9 Ų38.929%0.29421%0.208SC..  trans-64.7166.6-178.780.40000111.9E1228 D1229 K1230S1226-E1228 PolarHBondContact OG-N 3.2Å; S1226-D1229 WeakPolarHBondContact CB-OD2 3.45Å; S1226-D1229 WeakPolarHBondContact OG-CB 3.32Å; S1226-D1229 PolarHBondContact OG-N 3.42Å; S1226-D1229 PolarHBondContact OG-OD2 2.91Å; S1226-K1230 WeakPolarHBondContact O-CD 3.39Å; S1226-K1230 WeakPolarHBondContact O-CE 3.28Å; S1226-K1230 VanDerWaalsContact O-CG 3.27Å; S1226-K1230 WeakPolarHBondContact O-CG 3.42Å; S1226-K1230 PolarHBondContact O-NZ 2.77Å
1227S86.7Confident92Very high93 Ų9338.3 Ų38.365%0.6521%0.206SC*.SBendtrans-69.3-44.4169.837.70000111.5D1229 K1230 E1231S1227-D1229 PolarHBondContact O-N 2.78Å; S1227-K1230 WeakPolarHBondContact O-CB 3.17Å; S1227-K1230 PolarHBondContact O-N 3.48Å; S1227-E1231 PolarHBondContact O-N 3.43Å
1228E86.5Confident91.8Very high64 Ų6443.8 Ų43.830%0.29923%0.232SC..Hα-helixtrans-59.6-44.8-177.3-56.6166.9-148.200112.2N988 R1142 S1226 K1230 E1231 L1232N988-E1228 PolarHBondContact ND2-OE1 3.19Å; R1142-E1228 IonicContact CZ-OE2 3.62Å; R1142-E1228 VanDerWaalsContact CZ-OE2 3.31Å; R1142-E1228 IonicContact NH1-OE2 3.04Å; R1142-E1228 PolarHBondContact NH1-OE2 2.96Å; R1142-E1228 IonicContact NH2-OE2 2.87Å; R1142-E1228 PolarHBondContact NH2-OE2 3.21Å; S1226-E1228 PolarHBondContact OG-N 3.2Å; E1228-K1230 PolarHBondContact O-N 3.43Å; E1228-E1231 PolarHBondContact O-N 3.34Å; E1228-L1232 WeakPolarHBondContact O-CB 3.44Å; E1228-L1232 PolarHBondContact O-N 2.7Å
1229D89.2Confident91.5Very high32 Ų3245.7 Ų45.717%0.17124%0.24CC..Hα-helixtrans-74.2-15.1-176.6-56.3-46.2000112.5R1142 I1168 S1226 S1227 A1233R1142-D1229 IonicContact CZ-OD1 3.98Å; R1142-D1229 IonicContact NH2-OD1 3.35Å; R1142-D1229 PolarHBondContact NH2-OD1 2.95Å; I1168-D1229 HydrophobicContact CG2-CB 4.39Å; S1226-D1229 WeakPolarHBondContact CB-OD2 3.45Å; S1226-D1229 WeakPolarHBondContact OG-CB 3.32Å; S1226-D1229 PolarHBondContact OG-N 3.42Å; S1226-D1229 PolarHBondContact OG-OD2 2.91Å; S1227-D1229 PolarHBondContact O-N 2.78Å; D1229-A1233 VanDerWaalsContact O-CB 3.23Å; D1229-A1233 WeakPolarHBondContact O-CB 3.43Å; D1229-A1233 PolarHBondContact O-N 3.01Å; D1229-A1233 VanDerWaalsContact O-N 3.08Å
1230K89.7Confident91.3Very high75 Ų7545.7 Ų45.733%0.32624%0.239SC..Hα-helixtrans-77.1-43.2171.6-65.8164.9-169.1152.30110.8T1221 S1225 S1226 S1227 E1228 A1233 G1234T1221-K1230 HydrophobicContact CG2-CB 4.31Å; T1221-K1230 HydrophobicContact CG2-CD 4.38Å; T1221-K1230 HydrophobicContact CG2-CG 3.79Å; S1225-K1230 VanDerWaalsContact O-CE 3.31Å; S1225-K1230 WeakPolarHBondContact O-CE 3.32Å; S1225-K1230 PolarHBondContact O-NZ 3.29Å; S1225-K1230 WeakPolarHBondContact OG-CE 3.29Å; S1226-K1230 WeakPolarHBondContact O-CD 3.39Å; S1226-K1230 WeakPolarHBondContact O-CE 3.28Å; S1226-K1230 VanDerWaalsContact O-CG 3.27Å; S1226-K1230 WeakPolarHBondContact O-CG 3.42Å; S1226-K1230 PolarHBondContact O-NZ 2.77Å; S1227-K1230 WeakPolarHBondContact O-CB 3.17Å; S1227-K1230 PolarHBondContact O-N 3.48Å; E1228-K1230 PolarHBondContact O-N 3.43Å; K1230-A1233 PolarHBondContact O-N 3.22Å; K1230-G1234 PolarHBondContact O-N 3.33Å; K1230-G1234 VanDerWaalsContact O-N 3.12Å
1231E89.9Confident91.1Very high134 Ų13446.1 Ų46.163%0.62624%0.241SC*.Hα-helixtrans-67.6-43.3175.3-175.4176.917100111.5S1227 E1228 A1233 G1234 R1235S1227-E1231 PolarHBondContact O-N 3.43Å; E1228-E1231 PolarHBondContact O-N 3.34Å; E1231-A1233 VanDerWaalsContact C-N 3.33Å; E1231-A1233 PolarHBondContact O-N 3.08Å; E1231-G1234 PolarHBondContact O-N 3.29Å; E1231-R1235 PolarHBondContact O-N 3.28Å; E1231-R1235 VanDerWaalsContact O-N 3.13Å
1232L91.6Very high90.7Very high2 Ų249.2 Ų49.21%0.0126%0.264CS..Hα-helixtrans-58.1-43.7171.5-177.760.4000111.3R1142 I1168 T1177 E1228 G1234 R1235 L1236R1142-L1232 HydrophobicContact CB-CD2 4.05Å; I1168-L1232 HydrophobicContact CG2-CD2 4.12Å; T1177-L1232 HydrophobicContact CG2-CD2 3.85Å; E1228-L1232 WeakPolarHBondContact O-CB 3.44Å; E1228-L1232 PolarHBondContact O-N 2.7Å; L1232-G1234 VanDerWaalsContact C-N 3.32Å; L1232-G1234 PolarHBondContact O-N 3.17Å; L1232-R1235 PolarHBondContact O-N 3.3Å; L1232-L1236 HydrophobicContact CD1-CD1 4Å; L1232-L1236 HydrophobicContact CD1-CD2 4.24Å; L1232-L1236 HydrophobicContact CD1-CG 3.9Å; L1232-L1236 HydrophobicContact CD2-CD1 4.49Å; L1232-L1236 HydrophobicContact CG-CD1 3.86Å; L1232-L1236 HydrophobicContact CG-CG 4.16Å; L1232-L1236 WeakPolarHBondContact O-CB 3.37Å; L1232-L1236 VanDerWaalsContact O-CG 3.28Å; L1232-L1236 WeakPolarHBondContact O-CG 3.28Å; L1232-L1236 PolarHBondContact O-N 2.64Å
1233A93.7Very high90.5Very high0 Ų053 Ų530%028%0.278CS..Hα-helixtrans-62.5-36.3177.300000113.8I1168 T1194 I1196 V1219 D1229 K1230 E1231 S1237I1168-A1233 VanDerWaalsContact CD1-CA 3.46Å; I1168-A1233 HydrophobicContact CD1-CB 3.45Å; I1168-A1233 VanDerWaalsContact CD1-CB 3.45Å; T1194-A1233 HydrophobicContact CG2-CB 3.29Å; I1196-A1233 HydrophobicContact CG1-CB 4.46Å; V1219-A1233 HydrophobicContact CG1-CB 3.75Å; D1229-A1233 VanDerWaalsContact O-CB 3.23Å; D1229-A1233 WeakPolarHBondContact O-CB 3.43Å; D1229-A1233 PolarHBondContact O-N 3.01Å; D1229-A1233 VanDerWaalsContact O-N 3.08Å; K1230-A1233 PolarHBondContact O-N 3.22Å; E1231-A1233 VanDerWaalsContact C-N 3.33Å; E1231-A1233 PolarHBondContact O-N 3.08Å; A1233-S1237 VanDerWaalsContact O-CB 3.29Å; A1233-S1237 WeakPolarHBondContact O-CB 3.44Å; A1233-S1237 PolarHBondContact O-N 2.95Å; A1233-S1237 PolarHBondContact O-OG 2.63Å
1234G91.7Very high90.2Very high21 Ų2150 Ų5022%0.21626%0.255CS..Hα-helixtrans-56.9-61.4170.600000110.9K1230 E1231 L1232 L1236 S1237 E1238K1230-G1234 PolarHBondContact O-N 3.33Å; K1230-G1234 VanDerWaalsContact O-N 3.12Å; E1231-G1234 PolarHBondContact O-N 3.29Å; L1232-G1234 VanDerWaalsContact C-N 3.32Å; L1232-G1234 PolarHBondContact O-N 3.17Å; G1234-L1236 PolarHBondContact O-N 3.1Å; G1234-S1237 PolarHBondContact O-N 2.83Å; G1234-S1237 VanDerWaalsContact O-N 3.07Å; G1234-S1237 PolarHBondContact O-OG 3.04Å; G1234-E1238 PolarHBondContact O-N 3.28Å; G1234-E1238 VanDerWaalsContact O-N 3.14Å
1235R90.7Very high90.2Very high93 Ų9348 Ų4835%0.35126%0.255SS..Hα-helixtrans-55.1-44.9-179.9-70-173-72141.1-1.6113.1N1009 E1231 L1232 E1238 K1239N1009-R1235 PolarHBondContact OD1-NH1 3Å; E1231-R1235 PolarHBondContact O-N 3.28Å; E1231-R1235 VanDerWaalsContact O-N 3.13Å; L1232-R1235 PolarHBondContact O-N 3.3Å; R1235-E1238 PolarHBondContact O-N 3.17Å; R1235-K1239 WeakPolarHBondContact O-CB 3.5Å; R1235-K1239 PolarHBondContact O-N 2.58Å
1236L93.6Very high90.2Very high1 Ų148.4 Ų48.41%0.00526%0.259CS..Hα-helixtrans-66.3-38.2177.8-64.4-179.2000112Q1143 I1145 I1168 C1179 I1196 L1232 G1234 E1238 K1239 M1240Q1143-L1236 HydrophobicContact CB-CD2 4.13Å; Q1143-L1236 HydrophobicContact CG-CD2 4.28Å; I1145-L1236 HydrophobicContact CD1-CD2 3.95Å; I1145-L1236 HydrophobicContact CG1-CD2 4.19Å; I1168-L1236 HydrophobicContact CD1-CD1 3.96Å; I1168-L1236 HydrophobicContact CG1-CD1 4.14Å; C1179-L1236 HydrophobicContact CB-CD1 3.88Å; I1196-L1236 HydrophobicContact CD1-CB 4.1Å; L1232-L1236 HydrophobicContact CD1-CD1 4Å; L1232-L1236 HydrophobicContact CD1-CD2 4.24Å; L1232-L1236 HydrophobicContact CD1-CG 3.9Å; L1232-L1236 HydrophobicContact CD2-CD1 4.49Å; L1232-L1236 HydrophobicContact CG-CD1 3.86Å; L1232-L1236 HydrophobicContact CG-CG 4.16Å; L1232-L1236 WeakPolarHBondContact O-CB 3.37Å; L1232-L1236 VanDerWaalsContact O-CG 3.28Å; L1232-L1236 WeakPolarHBondContact O-CG 3.28Å; L1232-L1236 PolarHBondContact O-N 2.64Å; G1234-L1236 PolarHBondContact O-N 3.1Å; L1236-E1238 VanDerWaalsContact C-N 3.32Å; L1236-E1238 PolarHBondContact O-N 3.05Å; L1236-K1239 PolarHBondContact O-N 2.99Å; L1236-M1240 HydrophobicContact CB-SD 4.42Å; L1236-M1240 WeakPolarHBondContact O-CB 3.24Å; L1236-M1240 WeakPolarHBondContact O-CG 3.19Å; L1236-M1240 PolarHBondContact O-N 2.74Å; L1236-M1240 VanDerWaalsContact O-SD 3.41Å
1237S93.9Very high90.6Very high3 Ų348.9 Ų48.92%0.02126%0.258CS..Hα-helixtrans-63.1-38.9177.577.20000112.3A1233 G1234 F1241A1233-S1237 VanDerWaalsContact O-CB 3.29Å; A1233-S1237 WeakPolarHBondContact O-CB 3.44Å; A1233-S1237 PolarHBondContact O-N 2.95Å; A1233-S1237 PolarHBondContact O-OG 2.63Å; G1234-S1237 PolarHBondContact O-N 2.83Å; G1234-S1237 VanDerWaalsContact O-N 3.07Å; G1234-S1237 PolarHBondContact O-OG 3.04Å; S1237-F1241 WeakPolarHBondContact O-CB 3.14Å; S1237-F1241 PolarHBondContact O-N 2.65Å
1238E90.9Very high90.9Very high115 Ų11548.2 Ų48.254%0.53724%0.244SC..Hα-helixtrans-69.4-45.4175-67179.4173.800111.3G1234 R1235 L1236 M1240 F1241 S1242G1234-E1238 PolarHBondContact O-N 3.28Å; G1234-E1238 VanDerWaalsContact O-N 3.14Å; R1235-E1238 PolarHBondContact O-N 3.17Å; L1236-E1238 VanDerWaalsContact C-N 3.32Å; L1236-E1238 PolarHBondContact O-N 3.05Å; E1238-M1240 PolarHBondContact O-N 2.78Å; E1238-F1241 PolarHBondContact O-N 2.53Å; E1238-S1242 WeakPolarHBondContact O-CB 3.44Å; E1238-S1242 PolarHBondContact O-N 3.5Å; E1238-S1242 PolarHBondContact O-OG 3.27Å
1239K89.7Confident91.3Very high44 Ų4448.2 Ų48.219%0.19124%0.243CC..Hα-helixtrans-56.5-37.7175.5-163.5174.5-164.9173.90112.3I1010 R1235 L1236I1010-K1239 PolarHBondContact O-NZ 2.96Å; R1235-K1239 WeakPolarHBondContact O-CB 3.5Å; R1235-K1239 PolarHBondContact O-N 2.58Å; L1236-K1239 PolarHBondContact O-N 2.99Å
1240M91.8Very high91.5Very high5 Ų553.2 Ų53.23%0.02527%0.268CS..Hα-helixtrans-84-34.7-177.5-67.3163.36900114.3I1145 Y1166 I1196 L1236 E1238 W1243I1145-M1240 HydrophobicContact CD1-CG 3.79Å; I1145-M1240 HydrophobicContact CD1-SD 4.05Å; I1145-M1240 HydrophobicContact CG1-SD 4.37Å; I1145-M1240 HydrophobicContact CG2-CE 4.2Å; I1145-M1240 HydrophobicContact CG2-SD 4.19Å; Y1166-M1240 HydrophobicContact CD1-CE 3.48Å; Y1166-M1240 VanDerWaalsContact CD1-CE 3.48Å; Y1166-M1240 HydrophobicContact CD2-CE 3.78Å; Y1166-M1240 HydrophobicContact CE1-CE 3.32Å; Y1166-M1240 HydrophobicContact CE2-CE 3.67Å; Y1166-M1240 HydrophobicContact CG-CE 3.72Å; Y1166-M1240 VanDerWaalsContact CZ-CE 3.45Å; I1196-M1240 HydrophobicContact CD1-SD 4.38Å; L1236-M1240 HydrophobicContact CB-SD 4.42Å; L1236-M1240 WeakPolarHBondContact O-CB 3.24Å; L1236-M1240 WeakPolarHBondContact O-CG 3.19Å; L1236-M1240 PolarHBondContact O-N 2.74Å; L1236-M1240 VanDerWaalsContact O-SD 3.41Å; E1238-M1240 PolarHBondContact O-N 2.78Å; M1240-W1243 PolarHBondContact O-NE1 3.03Å
1241F92.2Very high91.7Very high9 Ų950 Ų504%0.03926%0.256CS..Hα-helixtrans-126.5-4.3-166.2-60.2-63.3000116.6Y1166 I1196 K1198 V1217 S1237 E1238 W1243 I1244 F1248Y1166-F1241 HydrophobicContact CD2-CZ 4.45Å; Y1166-F1241 HydrophobicContact CE2-CE2 4.42Å; Y1166-F1241 AromaticContact CE2-CZ 3.79Å; Y1166-F1241 HydrophobicContact CE2-CZ 3.79Å; I1196-F1241 HydrophobicContact CG2-CD2 4.37Å; I1196-F1241 HydrophobicContact CG2-CE2 3.94Å; K1198-F1241 HydrophobicContact CB-CE1 4.07Å; K1198-F1241 HydrophobicContact CB-CE2 4.21Å; K1198-F1241 HydrophobicContact CB-CZ 3.88Å; K1198-F1241 HydrophobicContact CD-CE1 4.36Å; K1198-F1241 HydrophobicContact CG-CD1 4.15Å; K1198-F1241 HydrophobicContact CG-CE1 3.99Å; K1198-F1241 HydrophobicContact CG-CZ 4.31Å; V1217-F1241 HydrophobicContact CG1-CD2 4.05Å; V1217-F1241 HydrophobicContact CG2-CB 4.16Å; V1217-F1241 HydrophobicContact CG2-CD2 4.2Å; V1217-F1241 HydrophobicContact CG2-CG 4.2Å; S1237-F1241 WeakPolarHBondContact O-CB 3.14Å; S1237-F1241 PolarHBondContact O-N 2.65Å; E1238-F1241 PolarHBondContact O-N 2.53Å; F1241-W1243 PolarHBondContact O-N 3.05Å; F1241-I1244 HydrophobicContact CB-CG1 4.36Å; F1241-I1244 HydrophobicContact CD1-CD1 4.04Å; F1241-I1244 WeakPolarHBondContact O-CG1 3.2Å; F1241-I1244 PolarHBondContact O-N 2.81Å; F1241-I1244 VanDerWaalsContact O-N 3.14Å; F1241-F1248 HydrophobicContact CB-CE1 4.19Å; F1241-F1248 HydrophobicContact CB-CZ 4.02Å
1242S87.3Confident92Very high83 Ų8346.8 Ų46.858%0.5825%0.246SC*.THydrogen-bonded Turntrans-56.9-20.2178.151.70000115.1E1238E1238-S1242 WeakPolarHBondContact O-CB 3.44Å; E1238-S1242 PolarHBondContact O-N 3.5Å; E1238-S1242 PolarHBondContact O-OG 3.27Å
1243W87.6Confident92.1Very high79 Ų7948.6 Ų48.630%0.29925%0.254SS..THydrogen-bonded Turntrans-86-2.1-17967.2-86.1000114.9R1033 W1034 L1160 M1240 F1241R1033-W1243 VanDerWaalsContact NH2-CB 3.33Å; W1034-W1243 HydrophobicContact CH2-CZ2 4.25Å; W1034-W1243 HydrophobicContact CZ2-CZ2 4.2Å; L1160-W1243 HydrophobicContact CD1-CH2 4.26Å; L1160-W1243 HydrophobicContact CD2-CH2 3.91Å; L1160-W1243 HydrophobicContact CD2-CZ2 4.29Å; M1240-W1243 PolarHBondContact O-NE1 3.03Å; F1241-W1243 PolarHBondContact O-N 3.05Å
1244I88.4Confident92Very high23 Ų2351.6 Ų51.612%0.11829%0.285CS..SBendtrans-118151.8172.555.3166.6000111.1F1241 A1246F1241-I1244 HydrophobicContact CB-CG1 4.36Å; F1241-I1244 HydrophobicContact CD1-CD1 4.04Å; F1241-I1244 WeakPolarHBondContact O-CG1 3.2Å; F1241-I1244 PolarHBondContact O-N 2.81Å; F1241-I1244 VanDerWaalsContact O-N 3.14Å; I1244-A1246 PolarHBondContact O-N 3.05Å
1245P91.4Very high92.1Very high82 Ų8254.5 Ų54.553%0.53230%0.302SS..  trans-59.9110171.7-23.834.8000111.2K1214 C1215K1214-P1245 WeakPolarHBondContact CA-O 3.46Å; K1214-P1245 HydrophobicContact CG-CB 4.29Å; C1215-P1245 PolarHBondContact N-O 2.81Å
1246A91.9Very high92.3Very high17 Ų1751.3 Ų51.314%0.1429%0.291CS..EExtended strand (participates in β ladder)trans-144.2145.7-178.200000111.3C1215 V1217 I1244 F1248C1215-A1246 HydrophobicContact CB-CB 4.27Å; C1215-A1246 WeakPolarHBondContact O-CA 3.22Å; V1217-A1246 HydrophobicContact CG2-CB 3.99Å; I1244-A1246 PolarHBondContact O-N 3.05Å; A1246-F1248 HydrophobicContact CB-CD2 4.48Å; A1246-F1248 HydrophobicContact CB-CE2 3.96Å; A1246-F1248 HydrophobicContact CB-CZ 4.3Å
1247D93.8Very high92.2Very high51 Ų5153.2 Ų53.227%0.27330%0.304SS..EExtended strand (participates in β ladder)trans-98.9130.2159.6-61.1-51000108.6K1214 C1215 H1216 V1217 H1249K1214-D1247 VanDerWaalsContact CD-CG 3.44Å; K1214-D1247 WeakPolarHBondContact CD-OD1 3.29Å; K1214-D1247 VanDerWaalsContact CD-OD2 3.22Å; K1214-D1247 WeakPolarHBondContact CD-OD2 3.5Å; K1214-D1247 IonicContact NZ-OD1 2.76Å; K1214-D1247 PolarHBondContact NZ-OD1 2.82Å; K1214-D1247 IonicContact NZ-OD2 3.2Å; C1215-D1247 PolarHBondContact O-N 2.97Å; H1216-D1247 WeakPolarHBondContact CA-O 3.44Å; H1216-D1247 IonicContact CE1-OD2 2.64Å; H1216-D1247 PolarHBondContact CE1-OD2 2.98Å; H1216-D1247 IonicContact ND1-OD2 3.58Å; V1217-D1247 PolarHBondContact N-O 3.23Å; D1247-H1249 PolarHBondContact O-CD2 3.17Å; D1247-H1249 VanDerWaalsContact O-CD2 3.27Å
1248F94.4Very high92.1Very high80 Ų8057.7 Ų57.735%0.35133%0.333SS..EExtended strand (participates in β ladder)trans-97.1133.4179.5-66.7-99000110.1V1217 F1241 A1246V1217-F1248 HydrophobicContact CB-CD1 3.79Å; V1217-F1248 HydrophobicContact CB-CE1 3.99Å; V1217-F1248 HydrophobicContact CB-CG 4.39Å; V1217-F1248 HydrophobicContact CG1-CD1 3.77Å; V1217-F1248 HydrophobicContact CG1-CE1 3.87Å; V1217-F1248 HydrophobicContact CG2-CD1 4.47Å; V1217-F1248 HydrophobicContact CG2-CE1 4.22Å; V1217-F1248 WeakPolarHBondContact O-CA 3.42Å; F1241-F1248 HydrophobicContact CB-CE1 4.19Å; F1241-F1248 HydrophobicContact CB-CZ 4.02Å; A1246-F1248 HydrophobicContact CB-CD2 4.48Å; A1246-F1248 HydrophobicContact CB-CE2 3.96Å; A1246-F1248 HydrophobicContact CB-CZ 4.3Å
1249H94.1Very high92.1Very high64 Ų6452.6 Ų52.630%0.29631%0.309SS..EExtended strand (participates in β ladder)trans-133.2113.1-172.3-62.1-92.8000110H1216 V1217 Y1218 V1219 D1247 V1251H1216-H1249 AromaticContact CD2-NE2 3.76Å; H1216-H1249 AromaticContact CE1-NE2 3.71Å; H1216-H1249 AromaticContact CG-NE2 3.57Å; H1216-H1249 AromaticContact ND1-NE2 3.54Å; H1216-H1249 AromaticContact NE2-NE2 3.84Å; V1217-H1249 PolarHBondContact O-N 2.89Å; Y1218-H1249 CarbonylContact C-O 3.55Å; Y1218-H1249 WeakPolarHBondContact CA-O 3.41Å; Y1218-H1249 HydrophobicContact CD1-CB 3.52Å; Y1218-H1249 HydrophobicContact CE1-CB 3.76Å; Y1218-H1249 AromaticContact CE1-CD2 3.95Å; Y1218-H1249 AromaticContact CE1-CG 3.83Å; V1219-H1249 PolarHBondContact N-O 3.05Å; D1247-H1249 PolarHBondContact O-CD2 3.17Å; D1247-H1249 VanDerWaalsContact O-CD2 3.27Å; H1249-V1251 HydrophobicContact CB-CG2 4.4Å
1250I93.4Very high92.3Very high136 Ų13650.6 Ų50.670%0.69730%0.3SS*.EExtended strand (participates in β ladder)trans-82.2124171.1-55.7178.1000108.3T1221T1221-I1250 HydrophobicContact CG2-CG2 4.5Å
1251V94.7Very high92.4Very high9 Ų951.6 Ų51.66%0.05530%0.304CS..EExtended strand (participates in β ladder)trans-125.7113.5-175-178.10000109.8Y1218 V1219 W1220 T1221 H1249 E1256Y1218-V1251 HydrophobicContact CD1-CG2 3.67Å; Y1218-V1251 HydrophobicContact CE1-CG2 4.39Å; V1219-V1251 PolarHBondContact O-N 3.46Å; W1220-V1251 CarbonylContact C-O 3.56Å; W1220-V1251 WeakPolarHBondContact CA-O 3.5Å; T1221-V1251 PolarHBondContact N-O 3.19Å; T1221-V1251 PolarHBondContact OG1-O 3.19Å; H1249-V1251 HydrophobicContact CB-CG2 4.4Å; V1251-E1256 HydrophobicContact CG1-CB 4.26Å; V1251-E1256 HydrophobicContact CG1-CG 3.9Å
1252P94.3Very high92.3Very high65 Ų6555.8 Ų55.842%0.42232%0.324SS..EExtended strand (participates in β ladder)trans-77.6147.3169.429.9-30.6000111.3T1221 G1254 S1255T1221-P1252 WeakPolarHBondContact OG1-CA 3.46Å; P1252-G1254 PolarHBondContact O-N 2.82Å; P1252-S1255 WeakPolarHBondContact O-CB 3.36Å; P1252-S1255 PolarHBondContact O-N 2.8Å
1253E94.5Very high92.5Very high40 Ų4052.5 Ų52.519%0.18730%0.3CS..THydrogen-bonded Turntrans-49.6130.5174.8179.1172.7-167.100112.1S1191 W1220 T1221 S1223 E1256 Y1270S1191-E1253 WeakPolarHBondContact CB-OE1 3.23Å; S1191-E1253 WeakPolarHBondContact CB-OE2 3.43Å; S1191-E1253 PolarHBondContact OG-OE1 3.01Å; S1191-E1253 PolarHBondContact OG-OE2 3.34Å; W1220-E1253 HydrophobicContact CH2-CB 4.31Å; W1220-E1253 HydrophobicContact CH2-CG 4.28Å; W1220-E1253 HydrophobicContact CZ2-CB 3.76Å; W1220-E1253 HydrophobicContact CZ2-CG 3.74Å; T1221-E1253 PolarHBondContact O-N 2.94Å; S1223-E1253 WeakPolarHBondContact CB-OE2 3.27Å; S1223-E1253 PolarHBondContact N-OE2 3.03Å; S1223-E1253 PolarHBondContact OG-OE2 3.28Å; E1253-E1256 WeakPolarHBondContact CA-OE1 3.45Å; E1253-Y1270 WeakPolarHBondContact OE1-CE2 3.38Å; E1253-Y1270 PolarHBondContact OE1-OH 2.85Å; E1253-Y1270 VanDerWaalsContact OE1-OH 3.12Å
1254G91.8Very high92.7Very high63 Ų6349 Ų4965%0.64929%0.288SS*.THydrogen-bonded Turntrans86.2-1.7-176.100000115.5P1252 E1256P1252-G1254 PolarHBondContact O-N 2.82Å; G1254-E1256 VanDerWaalsContact C-OE2 3.27Å; G1254-E1256 VanDerWaalsContact CA-OE2 3.24Å; G1254-E1256 WeakPolarHBondContact CA-OE2 3.38Å; G1254-E1256 VanDerWaalsContact N-CD 3.27Å; G1254-E1256 PolarHBondContact N-OE1 3.49Å; G1254-E1256 PolarHBondContact N-OE2 2.93Å
1255S94.1Very high92.6Very high83 Ų8350.2 Ų50.258%0.5831%0.305SS*.  trans-115.123.7176.9-55.30000113.1P1252P1252-S1255 WeakPolarHBondContact O-CB 3.36Å; P1252-S1255 PolarHBondContact O-N 2.8Å
1256E94.4Very high92.5Very high25 Ų2547.7 Ų47.712%0.11729%0.294CS..  trans-76.6133.5-171.3-52.185.1172.300113.1W1220 V1251 E1253 G1254 F1260 W1261W1220-E1256 PolarHBondContact NE1-OE1 3.2Å; V1251-E1256 HydrophobicContact CG1-CB 4.26Å; V1251-E1256 HydrophobicContact CG1-CG 3.9Å; E1253-E1256 WeakPolarHBondContact CA-OE1 3.45Å; G1254-E1256 VanDerWaalsContact C-OE2 3.27Å; G1254-E1256 VanDerWaalsContact CA-OE2 3.24Å; G1254-E1256 WeakPolarHBondContact CA-OE2 3.38Å; G1254-E1256 VanDerWaalsContact N-CD 3.27Å; G1254-E1256 PolarHBondContact N-OE1 3.49Å; G1254-E1256 PolarHBondContact N-OE2 2.93Å; E1256-F1260 HydrophobicContact CB-CB 4.21Å; E1256-F1260 HydrophobicContact CB-CD1 3.67Å; E1256-F1260 HydrophobicContact CB-CE1 4.17Å; E1256-F1260 HydrophobicContact CB-CG 4Å; E1256-F1260 HydrophobicContact CG-CD1 3.78Å; E1256-F1260 HydrophobicContact CG-CE1 3.73Å; E1256-F1260 HydrophobicContact CG-CG 4.3Å; E1256-F1260 HydrophobicContact CG-CZ 4.2Å; E1256-W1261 HydrophobicContact CB-CZ2 4.09Å; E1256-W1261 VanDerWaalsContact CD-CZ2 3.49Å; E1256-W1261 HydrophobicContact CG-CZ2 3.89Å; E1256-W1261 WeakPolarHBondContact OE2-CZ2 3.44Å
1257P92.7Very high92.4Very high42 Ų4253.6 Ų53.627%0.27332%0.319SS..  trans-68.7155.5177.928.9-34.8000111.6Y1218 L1259 F1260Y1218-P1257 HydrophobicContact CE1-CG 3.93Å; P1257-L1259 PolarHBondContact O-N 2.99Å; P1257-F1260 HydrophobicContact CG-CB 4.12Å; P1257-F1260 VanDerWaalsContact O-CB 3.31Å; P1257-F1260 WeakPolarHBondContact O-CB 3.5Å; P1257-F1260 PolarHBondContact O-N 3.03Å
1258P90.8Very high92.2Very high97 Ų9756.9 Ų56.963%0.6333%0.331SS*.Hα-helixtrans-54.1-32.6-179.6-28.235.8000114.6F1260 W1261 Q1262P1258-F1260 PolarHBondContact O-N 2.78Å; P1258-W1261 PolarHBondContact O-N 3.46Å; P1258-Q1262 VanDerWaalsContact O-CG 3.32Å; P1258-Q1262 WeakPolarHBondContact O-CG 3.43Å; P1258-Q1262 PolarHBondContact O-N 2.9Å; P1258-Q1262 VanDerWaalsContact O-N 3.14Å
1259L91.6Very high91.9Very high7 Ų762.6 Ų62.64%0.03736%0.355CS..Hα-helixtrans-60.3-41.4176.4-179.560.4000112.6V1204 L1207 E1208 P1257 W1261 Q1262 V1263V1204-L1259 HydrophobicContact CB-CD2 4.49Å; V1204-L1259 HydrophobicContact CG1-CD2 4.06Å; V1204-L1259 HydrophobicContact CG2-CD2 4.27Å; L1207-L1259 HydrophobicContact CB-CD1 3.48Å; L1207-L1259 VanDerWaalsContact CB-CD1 3.48Å; L1207-L1259 HydrophobicContact CD1-CD1 3.53Å; L1207-L1259 HydrophobicContact CG-CD1 4.14Å; E1208-L1259 HydrophobicContact CG-CD2 3.96Å; P1257-L1259 PolarHBondContact O-N 2.99Å; L1259-W1261 VanDerWaalsContact C-N 3.34Å; L1259-W1261 PolarHBondContact O-N 3.36Å; L1259-Q1262 PolarHBondContact O-N 3.31Å; L1259-V1263 HydrophobicContact CD1-CG2 3.94Å; L1259-V1263 HydrophobicContact CG-CG2 4.21Å; L1259-V1263 WeakPolarHBondContact O-CB 3.45Å; L1259-V1263 VanDerWaalsContact O-CG2 3.26Å; L1259-V1263 WeakPolarHBondContact O-CG2 3.37Å; L1259-V1263 PolarHBondContact O-N 2.85Å
1260F93.1Very high91.8Very high2 Ų262 Ų621%0.00935%0.351CS..Hα-helixtrans-56.9-47.9178.7176.2-85.6000111.1L1189 I1197 Y1218 W1220 E1256 P1257 P1258 V1263 L1264L1189-F1260 HydrophobicContact CD1-CE1 4Å; L1189-F1260 HydrophobicContact CD1-CZ 4.01Å; L1189-F1260 HydrophobicContact CD2-CZ 4.37Å; I1197-F1260 HydrophobicContact CD1-CD2 4.39Å; I1197-F1260 HydrophobicContact CD1-CE2 3.6Å; I1197-F1260 HydrophobicContact CD1-CZ 4.07Å; Y1218-F1260 HydrophobicContact CD2-CD2 4.4Å; Y1218-F1260 HydrophobicContact CG-CD2 4.35Å; W1220-F1260 HydrophobicContact CB-CE2 3.91Å; W1220-F1260 HydrophobicContact CB-CZ 4.2Å; W1220-F1260 AromaticContact CD1-CE2 3.62Å; W1220-F1260 AromaticContact CD1-CZ 3.34Å; W1220-F1260 HydrophobicContact CD2-CZ 4.4Å; W1220-F1260 AromaticContact CG-CE2 3.92Å; W1220-F1260 HydrophobicContact CG-CE2 3.92Å; W1220-F1260 AromaticContact CG-CZ 3.74Å; W1220-F1260 HydrophobicContact CG-CZ 3.74Å; W1220-F1260 AromaticContact NE1-CZ 3.77Å; E1256-F1260 HydrophobicContact CB-CB 4.21Å; E1256-F1260 HydrophobicContact CB-CD1 3.67Å; E1256-F1260 HydrophobicContact CB-CE1 4.17Å; E1256-F1260 HydrophobicContact CB-CG 4Å; E1256-F1260 HydrophobicContact CG-CD1 3.78Å; E1256-F1260 HydrophobicContact CG-CE1 3.73Å; E1256-F1260 HydrophobicContact CG-CG 4.3Å; E1256-F1260 HydrophobicContact CG-CZ 4.2Å; P1257-F1260 HydrophobicContact CG-CB 4.12Å; P1257-F1260 VanDerWaalsContact O-CB 3.31Å; P1257-F1260 WeakPolarHBondContact O-CB 3.5Å; P1257-F1260 PolarHBondContact O-N 3.03Å; P1258-F1260 PolarHBondContact O-N 2.78Å; F1260-V1263 PolarHBondContact O-N 3.3Å; F1260-L1264 HydrophobicContact CD1-CD1 4.09Å; F1260-L1264 HydrophobicContact CE1-CD1 3.62Å; F1260-L1264 HydrophobicContact CE2-CD1 4.29Å; F1260-L1264 HydrophobicContact CZ-CD1 3.74Å; F1260-L1264 WeakPolarHBondContact O-CG 3.35Å; F1260-L1264 PolarHBondContact O-N 2.89Å
1261W93.4Very high91.7Very high26 Ų2657.7 Ų57.710%0.09833%0.329CS..Hα-helixtrans-67.9-35.4178-65117.7000113.1V1186 L1189 E1256 P1258 L1259 G1265 G1266 Q1267 Y1270V1186-W1261 HydrophobicContact CG1-CZ3 4.09Å; V1186-W1261 HydrophobicContact CG2-CE3 3.94Å; V1186-W1261 HydrophobicContact CG2-CZ3 3.96Å; L1189-W1261 HydrophobicContact CD1-CZ3 4.22Å; E1256-W1261 HydrophobicContact CB-CZ2 4.09Å; E1256-W1261 VanDerWaalsContact CD-CZ2 3.49Å; E1256-W1261 HydrophobicContact CG-CZ2 3.89Å; E1256-W1261 WeakPolarHBondContact OE2-CZ2 3.44Å; P1258-W1261 PolarHBondContact O-N 3.46Å; L1259-W1261 VanDerWaalsContact C-N 3.34Å; L1259-W1261 PolarHBondContact O-N 3.36Å; W1261-G1265 PolarHBondContact O-N 3.46Å; W1261-G1266 VanDerWaalsContact O-CA 3.22Å; W1261-G1266 WeakPolarHBondContact O-CA 3.25Å; W1261-G1266 PolarHBondContact O-N 2.96Å; W1261-Q1267 HydrophobicContact CB-CB 4.19Å; W1261-Q1267 HydrophobicContact CD2-CB 3.84Å; W1261-Q1267 HydrophobicContact CD2-CG 3.73Å; W1261-Q1267 HydrophobicContact CE3-CB 3.97Å; W1261-Q1267 HydrophobicContact CE3-CG 3.87Å; W1261-Q1267 HydrophobicContact CG-CB 3.95Å; W1261-Q1267 HydrophobicContact CG-CG 4.24Å; W1261-Q1267 HydrophobicContact CH2-CG 4.41Å; W1261-Q1267 HydrophobicContact CZ2-CG 4.25Å; W1261-Q1267 HydrophobicContact CZ3-CG 4.21Å; W1261-Y1270 HydrophobicContact CH2-CD1 4.39Å; W1261-Y1270 AromaticContact CH2-CE1 3.76Å; W1261-Y1270 HydrophobicContact CH2-CE1 3.76Å; W1261-Y1270 HydrophobicContact CZ3-CE1 4.35Å
1262Q90.5Very high91.5Very high97 Ų9761.1 Ų61.145%0.45335%0.35SS..Hα-helixtrans-65.5-47.5176.2-69.6168.811.200111.3L1207 P1258 L1259 L1264 G1265L1207-Q1262 HydrophobicContact CD1-CB 4.07Å; P1258-Q1262 VanDerWaalsContact O-CG 3.32Å; P1258-Q1262 WeakPolarHBondContact O-CG 3.43Å; P1258-Q1262 PolarHBondContact O-N 2.9Å; P1258-Q1262 VanDerWaalsContact O-N 3.14Å; L1259-Q1262 PolarHBondContact O-N 3.31Å; Q1262-L1264 VanDerWaalsContact C-N 3.28Å; Q1262-L1264 PolarHBondContact O-N 2.91Å; Q1262-G1265 PolarHBondContact O-N 3.05Å
1263V91.7Very high91.3Very high14 Ų1460.3 Ų60.39%0.08535%0.346CS..Hα-helixtrans-57.4-37.2178.1163.40000112.4I1163 V1199 I1203 L1207 L1259 F1260 G1265I1163-V1263 HydrophobicContact CD1-CG1 3.9Å; I1163-V1263 HydrophobicContact CG1-CG1 4.17Å; I1163-V1263 HydrophobicContact CG2-CG1 3.65Å; V1199-V1263 HydrophobicContact CG1-CG2 3.76Å; V1199-V1263 HydrophobicContact CG2-CG1 3.92Å; V1199-V1263 HydrophobicContact CG2-CG2 4.04Å; I1203-V1263 HydrophobicContact CG2-CG2 4.39Å; L1207-V1263 HydrophobicContact CD1-CG2 4.19Å; L1259-V1263 HydrophobicContact CD1-CG2 3.94Å; L1259-V1263 HydrophobicContact CG-CG2 4.21Å; L1259-V1263 WeakPolarHBondContact O-CB 3.45Å; L1259-V1263 VanDerWaalsContact O-CG2 3.26Å; L1259-V1263 WeakPolarHBondContact O-CG2 3.37Å; L1259-V1263 PolarHBondContact O-N 2.85Å; F1260-V1263 PolarHBondContact O-N 3.3Å; V1263-G1265 VanDerWaalsContact C-N 3.31Å; V1263-G1265 PolarHBondContact O-N 2.78Å
1264L91.5Very high91Very high7 Ų758.9 Ų58.94%0.03734%0.341CS..THydrogen-bonded Turntrans-87.69.4178.6-61.7178.4000114.5M1165 P1184 V1186 L1189 I1197 F1260 Q1262M1165-L1264 HydrophobicContact SD-CD2 3.92Å; P1184-L1264 HydrophobicContact CB-CD2 3.99Å; V1186-L1264 HydrophobicContact CG2-CB 3.54Å; V1186-L1264 HydrophobicContact CG2-CD1 4.35Å; V1186-L1264 PolarHBondContact N-O 3.37Å; L1189-L1264 HydrophobicContact CD1-CD1 3.87Å; L1189-L1264 HydrophobicContact CG-CD1 4.42Å; I1197-L1264 HydrophobicContact CD1-CD1 4.05Å; I1197-L1264 HydrophobicContact CD1-CD2 4.23Å; F1260-L1264 HydrophobicContact CD1-CD1 4.09Å; F1260-L1264 HydrophobicContact CE1-CD1 3.62Å; F1260-L1264 HydrophobicContact CE2-CD1 4.29Å; F1260-L1264 HydrophobicContact CZ-CD1 3.74Å; F1260-L1264 WeakPolarHBondContact O-CG 3.35Å; F1260-L1264 PolarHBondContact O-N 2.89Å; Q1262-L1264 VanDerWaalsContact C-N 3.28Å; Q1262-L1264 PolarHBondContact O-N 2.91Å
1265G86.7Confident90.8Very high47 Ų4758.2 Ų58.249%0.48532%0.323SS..THydrogen-bonded Turntrans85.930.4174.600000115W1261 Q1262 V1263 K1268W1261-G1265 PolarHBondContact O-N 3.46Å; Q1262-G1265 PolarHBondContact O-N 3.05Å; V1263-G1265 VanDerWaalsContact C-N 3.31Å; V1263-G1265 PolarHBondContact O-N 2.78Å; G1265-K1268 WeakPolarHBondContact O-CE 3.39Å; G1265-K1268 PolarHBondContact O-NZ 2.82Å
1266G88.4Confident90.5Very high29 Ų2954.9 Ų54.930%0.29930%0.298SS..SBendtrans91.7142.9178.100000113.7V1186 W1261 K1268V1186-G1266 WeakPolarHBondContact CG2-O 3.31Å; W1261-G1266 VanDerWaalsContact O-CA 3.22Å; W1261-G1266 WeakPolarHBondContact O-CA 3.25Å; W1261-G1266 PolarHBondContact O-N 2.96Å; G1266-K1268 WeakPolarHBondContact O-CG 3.39Å; G1266-K1268 PolarHBondContact O-N 3.17Å
1267Q89.5Confident90.1Very high142 Ų14255.9 Ų55.966%0.66430%0.304SS*.  trans-59.1123.9179.5-167.8178.835.500111.1W1261W1261-Q1267 HydrophobicContact CB-CB 4.19Å; W1261-Q1267 HydrophobicContact CD2-CB 3.84Å; W1261-Q1267 HydrophobicContact CD2-CG 3.73Å; W1261-Q1267 HydrophobicContact CE3-CB 3.97Å; W1261-Q1267 HydrophobicContact CE3-CG 3.87Å; W1261-Q1267 HydrophobicContact CG-CB 3.95Å; W1261-Q1267 HydrophobicContact CG-CG 4.24Å; W1261-Q1267 HydrophobicContact CH2-CG 4.41Å; W1261-Q1267 HydrophobicContact CZ2-CG 4.25Å; W1261-Q1267 HydrophobicContact CZ3-CG 4.21Å
1268K89.6Confident89.8Confident119 Ų11958.2 Ų58.252%0.51732%0.317SS..  trans-141.4171.9-174.9-75161-176.5158.80109V1186 G1265 G1266V1186-K1268 HydrophobicContact CB-CB 4.21Å; V1186-K1268 HydrophobicContact CG1-CB 3.89Å; V1186-K1268 WeakPolarHBondContact CG1-O 3.22Å; G1265-K1268 WeakPolarHBondContact O-CE 3.39Å; G1265-K1268 PolarHBondContact O-NZ 2.82Å; G1266-K1268 WeakPolarHBondContact O-CG 3.39Å; G1266-K1268 PolarHBondContact O-N 3.17Å
1269K89.9Confident89.6Confident200 Ų20056.3 Ų56.387%0.8730%0.298SS*.  trans-71.6142.1169.1-63.4-171.9178.1-172.70110.1
1270Y91.4Very high89.5Confident53 Ų5356.2 Ų56.221%0.20830%0.298CS..  trans-135.3172.3173.757.1-91.8000108.3V1186 L1189 W1220 E1253 W1261 T1272V1186-Y1270 HydrophobicContact CG1-CD1 3.88Å; V1186-Y1270 HydrophobicContact CG1-CG 4.42Å; V1186-Y1270 VanDerWaalsContact O-CB 3.29Å; V1186-Y1270 WeakPolarHBondContact O-CB 3.36Å; L1189-Y1270 HydrophobicContact CB-CD2 4.08Å; L1189-Y1270 HydrophobicContact CB-CG 4.01Å; W1220-Y1270 HydrophobicContact CH2-CE2 4.3Å; W1220-Y1270 HydrophobicContact CZ2-CE2 4.37Å; E1253-Y1270 WeakPolarHBondContact OE1-CE2 3.38Å; E1253-Y1270 PolarHBondContact OE1-OH 2.85Å; E1253-Y1270 VanDerWaalsContact OE1-OH 3.12Å; W1261-Y1270 HydrophobicContact CH2-CD1 4.39Å; W1261-Y1270 AromaticContact CH2-CE1 3.76Å; W1261-Y1270 HydrophobicContact CH2-CE1 3.76Å; W1261-Y1270 HydrophobicContact CZ3-CE1 4.35Å; Y1270-T1272 HydrophobicContact CE2-CG2 4.4Å
1271D90.5Very high89.4Confident45 Ų4556.7 Ų56.724%0.24130%0.3CS..BIsolated β-bridgetrans-82.5138-173.1-65-65.7000111.7N1190 S1191 H1368N1190-D1271 WeakPolarHBondContact CA-O 3.45Å; S1191-D1271 PolarHBondContact N-O 3.34Å; S1191-D1271 VanDerWaalsContact N-O 3.17Å; D1271-H1368 IonicContact OD2-CD2 2.76Å; D1271-H1368 PolarHBondContact OD2-CD2 3.02Å; D1271-H1368 IonicContact OD2-CE1 3.06Å; D1271-H1368 IonicContact OD2-NE2 2.81Å; D1271-H1368 PolarHBondContact OD2-NE2 3.27Å
1272T91.9Very high89.5Confident81 Ų8155.5 Ų55.550%0.49730%0.296SS..  trans-112.415.9-17664.80000113.7S1191 K1224 Y1270S1191-T1272 WeakPolarHBondContact OG-CA 3.45Å; S1191-T1272 WeakPolarHBondContact OG-CB 3.32Å; S1191-T1272 WeakPolarHBondContact OG-CG2 3.41Å; K1224-T1272 PolarHBondContact NZ-O 2.97Å; Y1270-T1272 HydrophobicContact CE2-CG2 4.4Å
1273S90Very high89.7Confident48 Ų4850.9 Ų50.934%0.33627%0.274SS..  trans-153.3159170.183.90000112.1N1190 D1275N1190-S1273 PolarHBondContact ND2-O 2.91Å; S1273-D1275 WeakPolarHBondContact CB-OD1 3.44Å; S1273-D1275 PolarHBondContact OG-OD1 3.03Å
1274A88.5Confident89.9Confident9 Ų953.2 Ų53.27%0.07428%0.281CS..  trans-12536.3179.500000112C1192 F1193 F1276 L1277C1192-A1274 HydrophobicContact CB-CB 3.56Å; F1193-A1274 HydrophobicContact CE1-CB 3.85Å; F1193-A1274 HydrophobicContact CE2-CB 4.33Å; F1193-A1274 HydrophobicContact CZ-CB 3.54Å; A1274-F1276 HydrophobicContact CB-CE1 4.21Å; A1274-F1276 HydrophobicContact CB-CE2 4.41Å; A1274-F1276 HydrophobicContact CB-CZ 3.94Å; A1274-F1276 PolarHBondContact O-N 3Å; A1274-L1277 HydrophobicContact CB-CD1 4.3Å; A1274-L1277 HydrophobicContact CB-CG 4.47Å; A1274-L1277 WeakPolarHBondContact O-CB 3.41Å; A1274-L1277 PolarHBondContact O-N 3.15Å
1275D87.3Confident89.9Confident50 Ų5052.9 Ų52.927%0.26728%0.279SS..THydrogen-bonded Turntrans-51-26.9-177.6-61.140.8000113.7S1273 L1277 T1278 Y1279 R1354S1273-D1275 WeakPolarHBondContact CB-OD1 3.44Å; S1273-D1275 PolarHBondContact OG-OD1 3.03Å; D1275-L1277 PolarHBondContact O-N 2.88Å; D1275-L1277 VanDerWaalsContact O-N 3.13Å; D1275-T1278 PolarHBondContact O-N 3.19Å; D1275-Y1279 HydrophobicContact CB-CD2 4.17Å; D1275-Y1279 HydrophobicContact CB-CE2 4.44Å; D1275-Y1279 VanDerWaalsContact O-CD2 3.27Å; D1275-Y1279 WeakPolarHBondContact O-CD2 3.11Å; D1275-Y1279 PolarHBondContact O-N 2.92Å; D1275-R1354 VanDerWaalsContact CB-NH2 3.25Å; D1275-R1354 IonicContact OD2-CZ 3.42Å; D1275-R1354 IonicContact OD2-NH1 3.31Å; D1275-R1354 PolarHBondContact OD2-NH1 2.85Å; D1275-R1354 IonicContact OD2-NH2 3.54Å; D1275-R1354 PolarHBondContact OD2-NH2 3.04Å
1276F87.4Confident89.8Confident13 Ų1350.8 Ų50.86%0.05726%0.258CS..Hα-helixtrans-60.3-16.2174.758.2-104.6000113.5F1193 A1274 G1280 Q1372F1193-F1276 HydrophobicContact CE2-CZ 4.1Å; F1193-F1276 HydrophobicContact CZ-CE2 4.17Å; F1193-F1276 AromaticContact CZ-CZ 3.94Å; F1193-F1276 HydrophobicContact CZ-CZ 3.94Å; A1274-F1276 HydrophobicContact CB-CE1 4.21Å; A1274-F1276 HydrophobicContact CB-CE2 4.41Å; A1274-F1276 HydrophobicContact CB-CZ 3.94Å; A1274-F1276 PolarHBondContact O-N 3Å; F1276-G1280 WeakPolarHBondContact O-CA 3.47Å; F1276-G1280 PolarHBondContact O-N 3.48Å; F1276-Q1372 HydrophobicContact CD1-CG 4.04Å; F1276-Q1372 HydrophobicContact CE1-CB 4.29Å; F1276-Q1372 HydrophobicContact CE1-CG 3.9Å
1277L86.6Confident89.2Confident46 Ų4652.3 Ų52.324%0.24126%0.259CS..Hα-helixtrans-72.7-43.8169-66.5-177.7000111.6R982 N1171 F1193 A1274 D1275R982-L1277 PolarHBondContact NH2-O 3.32Å; N1171-L1277 WeakPolarHBondContact OD1-CD2 3.47Å; F1193-L1277 HydrophobicContact CE1-CD1 3.68Å; F1193-L1277 HydrophobicContact CZ-CD1 3.99Å; A1274-L1277 HydrophobicContact CB-CD1 4.3Å; A1274-L1277 HydrophobicContact CB-CG 4.47Å; A1274-L1277 WeakPolarHBondContact O-CB 3.41Å; A1274-L1277 PolarHBondContact O-N 3.15Å; D1275-L1277 PolarHBondContact O-N 2.88Å; D1275-L1277 VanDerWaalsContact O-N 3.13Å
1278T84.5Confident88.4Confident90 Ų9051.8 Ų51.855%0.55226%0.257SS*.Hα-helixtrans-71.5-37.4-178.9-44.30000112.3R982 D1275R982-T1278 PolarHBondContact NE-O 3.25Å; D1275-T1278 PolarHBondContact O-N 3.19Å
1279Y87.3Confident87.3Confident58 Ų5851.9 Ų51.923%0.22726%0.259CS..Hα-helixtrans-113.5-3.5-173.6-57.8-80.3000114.4D1275 R1281D1275-Y1279 HydrophobicContact CB-CD2 4.17Å; D1275-Y1279 HydrophobicContact CB-CE2 4.44Å; D1275-Y1279 VanDerWaalsContact O-CD2 3.27Å; D1275-Y1279 WeakPolarHBondContact O-CD2 3.11Å; D1275-Y1279 PolarHBondContact O-N 2.92Å; Y1279-R1281 PolarHBondContact O-N 2.82Å
1280G89.1Confident85.8Confident5 Ų545.7 Ų45.75%0.05225%0.252CS..  trans-63.9132.8-177.900000112.3R982 F1276 D1315R982-G1280 PolarHBondContact NE-O 2.8Å; F1276-G1280 WeakPolarHBondContact O-CA 3.47Å; F1276-G1280 PolarHBondContact O-N 3.48Å; G1280-D1315 WeakPolarHBondContact CA-O 3.32Å
1281R92.5Very high84.7Confident12 Ų1246.5 Ų46.55%0.04526%0.255CS..EExtended strand (participates in β ladder)trans-148.3129.3174.3-63.8-179.374.2-1802.8108.4A977 A980 R982 Y1279 F1283 E1296 L1314 D1315 Y1343A977-R1281 PolarHBondContact O-NH2 3.45Å; A980-R1281 VanDerWaalsContact O-CZ 3.25Å; A980-R1281 PolarHBondContact O-NH1 2.88Å; A980-R1281 PolarHBondContact O-NH2 3.35Å; R982-R1281 HydrophobicContact CB-CG 4.47Å; R982-R1281 HydrophobicContact CG-CG 3.9Å; Y1279-R1281 PolarHBondContact O-N 2.82Å; R1281-F1283 HydrophobicContact CB-CE2 3.6Å; R1281-F1283 HydrophobicContact CB-CZ 3.76Å; R1281-E1296 WeakPolarHBondContact CB-OE1 3.32Å; R1281-E1296 WeakPolarHBondContact CG-OE1 3.48Å; R1281-E1296 IonicContact CZ-OE1 2.85Å; R1281-E1296 IonicContact CZ-OE2 2.64Å; R1281-E1296 IonicContact NE-OE1 3.56Å; R1281-E1296 PolarHBondContact NE-OE1 3.02Å; R1281-E1296 IonicContact NE-OE2 3.56Å; R1281-E1296 IonicContact NH2-OE1 3.79Å; R1281-E1296 PolarHBondContact NH2-OE1 3.17Å; R1281-E1296 IonicContact NH2-OE2 3.02Å; R1281-E1296 PolarHBondContact NH2-OE2 2.87Å; R1281-L1314 WeakPolarHBondContact O-CA 3.34Å; R1281-D1315 PolarHBondContact N-O 2.84Å; R1281-D1315 PolarHBondContact O-N 3.01Å; R1281-Y1343 WeakPolarHBondContact CD-OH 3.49Å
1282L94.2Very high84.2Confident0 Ų044.6 Ų44.60%024%0.244CC..EExtended strand (participates in β ladder)trans-116.4136177.4-179.873.6000109.3K1297 F1301 D1305 L1306 M1312 L1313 L1314 F1374L1282-K1297 HydrophobicContact CB-CB 4.29Å; L1282-K1297 HydrophobicContact CD2-CB 4.32Å; L1282-K1297 HydrophobicContact CD2-CG 4.18Å; L1282-K1297 HydrophobicContact CG-CG 4.48Å; L1282-K1297 PolarHBondContact O-N 3.48Å; L1282-F1301 HydrophobicContact CB-CB 4.1Å; L1282-F1301 HydrophobicContact CB-CD1 3.58Å; L1282-F1301 HydrophobicContact CB-CD2 3.84Å; L1282-F1301 HydrophobicContact CB-CE1 3.9Å; L1282-F1301 HydrophobicContact CB-CE2 4.15Å; L1282-F1301 HydrophobicContact CB-CG 3.55Å; L1282-F1301 HydrophobicContact CB-CZ 4.18Å; L1282-F1301 HydrophobicContact CD2-CB 3.64Å; L1282-F1301 HydrophobicContact CD2-CD2 3.78Å; L1282-F1301 HydrophobicContact CD2-CG 3.78Å; L1282-F1301 HydrophobicContact CG-CD2 4.34Å; L1282-F1301 HydrophobicContact CG-CG 4.29Å; L1282-D1305 HydrophobicContact CD2-CB 3.96Å; L1282-L1306 HydrophobicContact CD1-CD2 3.91Å; L1282-L1306 HydrophobicContact CD2-CD2 4.35Å; L1282-M1312 HydrophobicContact CD1-CB 4.43Å; L1282-M1312 HydrophobicContact CD1-CE 4.01Å; L1282-M1312 HydrophobicContact CD2-CE 3.91Å; L1282-M1312 HydrophobicContact CG-CE 3.87Å; L1282-L1313 CarbonylContact C-O 3.32Å; L1282-L1313 WeakPolarHBondContact CA-O 3.13Å; L1282-L1314 HydrophobicContact CB-CD1 4.29Å; L1282-L1314 HydrophobicContact CD1-CB 4.01Å; L1282-L1314 HydrophobicContact CD1-CD1 4.14Å; L1282-F1374 HydrophobicContact CD1-CE1 4.31Å; L1282-F1374 HydrophobicContact CD1-CZ 4.26Å; L1282-F1374 HydrophobicContact CD2-CE1 4.08Å
1283F95.6Very high83.8Confident0 Ų041.3 Ų41.30%023%0.225CC..EExtended strand (participates in β ladder)trans-130.3135179-48.9-97.4000110.5A977 L978 R1281 L1285 S1295 E1296 M1312 L1313 Y1343A977-F1283 HydrophobicContact CB-CD1 4.37Å; A977-F1283 WeakPolarHBondContact O-CE1 3.41Å; L978-F1283 HydrophobicContact CD2-CB 4Å; L978-F1283 HydrophobicContact CD2-CD1 3.61Å; L978-F1283 HydrophobicContact CD2-CD2 3.51Å; L978-F1283 HydrophobicContact CD2-CE1 3.86Å; L978-F1283 HydrophobicContact CD2-CE2 3.75Å; L978-F1283 HydrophobicContact CD2-CG 3.42Å; L978-F1283 VanDerWaalsContact CD2-CG 3.42Å; L978-F1283 HydrophobicContact CD2-CZ 3.9Å; L978-F1283 HydrophobicContact CG-CD1 4.38Å; R1281-F1283 HydrophobicContact CB-CE2 3.6Å; R1281-F1283 HydrophobicContact CB-CZ 3.76Å; F1283-L1285 HydrophobicContact CB-CD2 4.41Å; F1283-S1295 CarbonylContact C-O 3.5Å; F1283-S1295 VanDerWaalsContact CA-O 3.31Å; F1283-S1295 WeakPolarHBondContact CA-O 3.24Å; F1283-E1296 HydrophobicContact CD1-CB 3.61Å; F1283-E1296 HydrophobicContact CD1-CG 4Å; F1283-E1296 HydrophobicContact CE1-CB 3.69Å; F1283-E1296 VanDerWaalsContact CE1-CD 3.47Å; F1283-E1296 HydrophobicContact CE1-CG 3.79Å; F1283-E1296 HydrophobicContact CZ-CG 4.5Å; F1283-M1312 WeakPolarHBondContact O-CA 3.48Å; F1283-L1313 HydrophobicContact CB-CB 4.39Å; F1283-L1313 HydrophobicContact CD2-CB 4.5Å; F1283-L1313 HydrophobicContact CD2-CD2 3.68Å; F1283-L1313 HydrophobicContact CE2-CD2 4.08Å; F1283-L1313 PolarHBondContact N-O 2.62Å; F1283-L1313 PolarHBondContact O-N 3.39Å; F1283-Y1343 HydrophobicContact CE2-CE1 4.43Å; F1283-Y1343 AromaticContact CE2-CE2 3.85Å; F1283-Y1343 HydrophobicContact CE2-CE2 3.85Å; F1283-Y1343 AromaticContact CE2-CZ 3.81Å; F1283-Y1343 AromaticContact CZ-CE2 3.77Å; F1283-Y1343 HydrophobicContact CZ-CE2 3.77Å
1284R94.7Very high83.8Confident63 Ų6339.5 Ų39.524%0.23821%0.213CC..EExtended strand (participates in β ladder)trans-83.5129.7164.6-176.5-174.2-175.3-142.6-4.5108.1E1288 A1294 S1295 D1310 M1312R1284-E1288 IonicContact CZ-OE2 2.71Å; R1284-E1288 IonicContact NH1-OE2 3.51Å; R1284-E1288 PolarHBondContact NH1-OE2 3.17Å; R1284-E1288 IonicContact NH2-OE2 3.65Å; R1284-E1288 PolarHBondContact NH2-OE2 3.18Å; R1284-A1294 VanDerWaalsContact O-CA 3.31Å; R1284-A1294 WeakPolarHBondContact O-CA 3.44Å; R1284-S1295 PolarHBondContact N-O 2.84Å; R1284-S1295 PolarHBondContact O-N 3.2Å; R1284-D1310 HydrophobicContact CG-CB 4.31Å; R1284-D1310 IonicContact CZ-OD1 2.74Å; R1284-D1310 IonicContact CZ-OD2 3.75Å; R1284-D1310 VanDerWaalsContact NE-CG 3.33Å; R1284-D1310 IonicContact NE-OD1 3.17Å; R1284-D1310 IonicContact NE-OD2 3.63Å; R1284-D1310 PolarHBondContact NE-OD2 2.59Å; R1284-D1310 VanDerWaalsContact NH2-CG 3.3Å; R1284-D1310 IonicContact NH2-OD1 3.41Å; R1284-D1310 PolarHBondContact NH2-OD1 3.12Å; R1284-D1310 IonicContact NH2-OD2 3.91Å; R1284-D1310 PolarHBondContact NH2-OD2 3.28Å; R1284-M1312 HydrophobicContact CB-CE 4.04Å; R1284-M1312 HydrophobicContact CB-SD 3.92Å; R1284-M1312 HydrophobicContact CG-SD 4.01Å
1285L91.4Very high84Confident0 Ų041.7 Ų41.70%023%0.227CC..EExtended strand (participates in β ladder)trans-118.4101.6177.9-56.4-176.6000108.4L975 L978 F1283 F1292 C1293 A1294 V1311 L1313 L1322 A1339L975-L1285 HydrophobicContact CD2-CD2 4.26Å; L978-L1285 HydrophobicContact CD1-CD2 4.26Å; F1283-L1285 HydrophobicContact CB-CD2 4.41Å; L1285-F1292 HydrophobicContact CB-CE2 4.15Å; L1285-F1292 HydrophobicContact CB-CZ 3.85Å; L1285-C1293 WeakPolarHBondContact CA-O 3.49Å; L1285-A1294 HydrophobicContact CD2-CB 3.4Å; L1285-V1311 WeakPolarHBondContact CA-O 3.31Å; L1285-V1311 HydrophobicContact CB-CB 4.15Å; L1285-V1311 WeakPolarHBondContact CB-O 3.47Å; L1285-V1311 HydrophobicContact CD1-CG1 4.32Å; L1285-V1311 PolarHBondContact N-O 2.98Å; L1285-V1311 PolarHBondContact O-N 3.46Å; L1285-L1313 HydrophobicContact CD1-CB 3.86Å; L1285-L1313 HydrophobicContact CD1-CD1 4.01Å; L1285-L1313 HydrophobicContact CG-CB 4.24Å; L1285-L1322 HydrophobicContact CD1-CD2 4.25Å; L1285-A1339 HydrophobicContact CD1-CB 3.88Å
1286S85.8Confident84.2Confident4 Ų441.8 Ų41.83%0.02823%0.226CC..EExtended strand (participates in β ladder)trans-129.5152.9-165-176.30000111.9E1288 F1292 C1293 D1310S1286-E1288 VanDerWaalsContact OG-CB 3.25Å; S1286-E1288 WeakPolarHBondContact OG-CB 3.35Å; S1286-E1288 PolarHBondContact OG-N 2.85Å; S1286-F1292 CarbonylContact O-C 3.56Å; S1286-F1292 VanDerWaalsContact O-CA 3.28Å; S1286-F1292 WeakPolarHBondContact O-CA 3.47Å; S1286-C1293 PolarHBondContact N-O 3.13Å; S1286-C1293 PolarHBondContact O-N 3.07Å; S1286-D1310 WeakPolarHBondContact CB-OD1 3.5Å; S1286-D1310 PolarHBondContact OG-OD1 2.72Å
1287N75Confident84.3Confident61 Ų6144.2 Ų44.233%0.32624%0.237SC..  trans-102.23.1165.669.634.5000114.7Q1289 G1290 Y1291 E1332N1287-Q1289 PolarHBondContact O-N 3.35Å; N1287-G1290 PolarHBondContact O-N 3.1Å; N1287-Y1291 WeakPolarHBondContact CA-O 3.48Å; N1287-Y1291 PolarHBondContact O-N 3.35Å; N1287-E1332 HydrophobicContact CB-CG 4.24Å; N1287-E1332 PolarHBondContact N-OE1 2.78Å; N1287-E1332 VanDerWaalsContact N-OE1 3.09Å; N1287-E1332 WeakPolarHBondContact ND2-CG 3.33Å; N1287-E1332 PolarHBondContact ND2-OE1 3.02Å; N1287-E1332 PolarHBondContact ND2-OE2 3.23Å
1288E72.9Confident84Confident131 Ų13145.7 Ų45.761%0.61225%0.25SS*.THydrogen-bonded Turntrans-52.9-33.9-170.4-179.5177.9-154.100114.2R1284 S1286 G1290R1284-E1288 IonicContact CZ-OE2 2.71Å; R1284-E1288 IonicContact NH1-OE2 3.51Å; R1284-E1288 PolarHBondContact NH1-OE2 3.17Å; R1284-E1288 IonicContact NH2-OE2 3.65Å; R1284-E1288 PolarHBondContact NH2-OE2 3.18Å; S1286-E1288 VanDerWaalsContact OG-CB 3.25Å; S1286-E1288 WeakPolarHBondContact OG-CB 3.35Å; S1286-E1288 PolarHBondContact OG-N 2.85Å; E1288-G1290 PolarHBondContact O-N 3.37Å
1289Q65.9Low83.9Confident120 Ų12043 Ų4356%0.56124%0.237SC*.THydrogen-bonded Turntrans-75.110.9179.9-59.8-175.5-2.500113.5N1287 Y1291N1287-Q1289 PolarHBondContact O-N 3.35Å; Q1289-Y1291 HydrophobicContact CB-CD1 3.73Å; Q1289-Y1291 HydrophobicContact CB-CE1 3.54Å; Q1289-Y1291 VanDerWaalsContact O-CD1 3.27Å; Q1289-Y1291 WeakPolarHBondContact O-CD1 3.46Å; Q1289-Y1291 PolarHBondContact O-N 3.4Å; Q1289-Y1291 VanDerWaalsContact OE1-CZ 3.23Å; Q1289-Y1291 PolarHBondContact OE1-OH 3.14Å
1290G58.7Low83.7Confident70 Ų7041.6 Ų41.672%0.72223%0.233SC*.SBendtrans77.65.5-169.800000113.3N1287 E1288N1287-G1290 PolarHBondContact O-N 3.1Å; E1288-G1290 PolarHBondContact O-N 3.37Å
1291Y68.5Low83.7Confident71 Ų7141.9 Ų41.928%0.27823%0.233SC..SBendtrans-156.7151.8-174.980.3-97.2000109.9A972 D974 N1287 Q1289 C1293A972-Y1291 HydrophobicContact CB-CD2 4.21Å; A972-Y1291 HydrophobicContact CB-CG 4.15Å; A972-Y1291 CarbonylContact O-C 3.57Å; A972-Y1291 VanDerWaalsContact O-CB 3.24Å; A972-Y1291 WeakPolarHBondContact O-CB 3.35Å; A972-Y1291 WeakPolarHBondContact O-CD2 3.14Å; D974-Y1291 HydrophobicContact CB-CE2 3.87Å; N1287-Y1291 WeakPolarHBondContact CA-O 3.48Å; N1287-Y1291 PolarHBondContact O-N 3.35Å; Q1289-Y1291 HydrophobicContact CB-CD1 3.73Å; Q1289-Y1291 HydrophobicContact CB-CE1 3.54Å; Q1289-Y1291 VanDerWaalsContact O-CD1 3.27Å; Q1289-Y1291 WeakPolarHBondContact O-CD1 3.46Å; Q1289-Y1291 PolarHBondContact O-N 3.4Å; Q1289-Y1291 VanDerWaalsContact OE1-CZ 3.23Å; Q1289-Y1291 PolarHBondContact OE1-OH 3.14Å; Y1291-C1293 HydrophobicContact CD2-CB 4.34Å; Y1291-C1293 HydrophobicContact CE2-CB 3.85Å; Y1291-C1293 PolarHBondContact O-N 3.41Å
1292F79.1Confident83.5Confident4 Ų441.3 Ų41.32%0.01823%0.231CC..EExtended strand (participates in β ladder)trans-88.3104.6-168.2-178.1-101.1000112.2P971 A972 T973 D974 L975 L1285 S1286 E1332 L1335P971-F1292 HydrophobicContact CB-CB 4.33Å; A972-F1292 PolarHBondContact O-N 3.49Å; T973-F1292 VanDerWaalsContact CA-O 3.24Å; T973-F1292 WeakPolarHBondContact CA-O 3.4Å; T973-F1292 HydrophobicContact CG2-CB 4.31Å; D974-F1292 PolarHBondContact N-O 2.96Å; D974-F1292 VanDerWaalsContact N-O 3.17Å; L975-F1292 HydrophobicContact CD2-CD1 4.23Å; L975-F1292 HydrophobicContact CD2-CE1 3.93Å; L1285-F1292 HydrophobicContact CB-CE2 4.15Å; L1285-F1292 HydrophobicContact CB-CZ 3.85Å; S1286-F1292 CarbonylContact O-C 3.56Å; S1286-F1292 VanDerWaalsContact O-CA 3.28Å; S1286-F1292 WeakPolarHBondContact O-CA 3.47Å; F1292-E1332 HydrophobicContact CD2-CG 4.16Å; F1292-E1332 HydrophobicContact CE2-CB 4.22Å; F1292-E1332 HydrophobicContact CE2-CG 4.04Å; F1292-L1335 HydrophobicContact CB-CD1 3.75Å; F1292-L1335 HydrophobicContact CD1-CB 3.72Å; F1292-L1335 HydrophobicContact CD1-CD1 4.04Å; F1292-L1335 HydrophobicContact CD1-CG 4.44Å; F1292-L1335 HydrophobicContact CD2-CB 4.07Å; F1292-L1335 HydrophobicContact CD2-CD1 3.96Å; F1292-L1335 HydrophobicContact CE1-CB 3.51Å; F1292-L1335 HydrophobicContact CE2-CB 3.88Å; F1292-L1335 HydrophobicContact CG-CB 3.99Å; F1292-L1335 HydrophobicContact CG-CD1 3.64Å; F1292-L1335 HydrophobicContact CG-CG 4.44Å; F1292-L1335 HydrophobicContact CZ-CB 3.58Å
1293C84.7Confident83.2Confident13 Ų1341.3 Ų41.39%0.08823%0.231CC..EExtended strand (participates in β ladder)trans-115.7158.4-175.964.10000113.5D974 L1285 S1286 Y1291D974-C1293 HydrophobicContact CB-CB 4.22Å; D974-C1293 CarbonylContact O-C 3.4Å; D974-C1293 WeakPolarHBondContact O-CA 3.46Å; L1285-C1293 WeakPolarHBondContact CA-O 3.49Å; S1286-C1293 PolarHBondContact N-O 3.13Å; S1286-C1293 PolarHBondContact O-N 3.07Å; Y1291-C1293 HydrophobicContact CD2-CB 4.34Å; Y1291-C1293 HydrophobicContact CE2-CB 3.85Å; Y1291-C1293 PolarHBondContact O-N 3.41Å
1294A89.8Confident82.7Confident10 Ų1043.7 Ų43.78%0.08324%0.244CC..EExtended strand (participates in β ladder)trans-110.8128164.500000110D974 L975 A977 L978 R1284 L1285D974-A1294 PolarHBondContact O-N 2.91Å; L975-A1294 HydrophobicContact CB-CB 4.39Å; L975-A1294 HydrophobicContact CD2-CB 3.55Å; A977-A1294 HydrophobicContact CB-CB 4.45Å; A977-A1294 WeakPolarHBondContact CB-O 3.31Å; L978-A1294 HydrophobicContact CD1-CB 4.31Å; L978-A1294 HydrophobicContact CG-CB 3.93Å; R1284-A1294 VanDerWaalsContact O-CA 3.31Å; R1284-A1294 WeakPolarHBondContact O-CA 3.44Å; L1285-A1294 HydrophobicContact CD2-CB 3.4Å
1295S91.8Very high82.4Confident54 Ų5441.4 Ų41.438%0.37824%0.236SC..EExtended strand (participates in β ladder)trans-114.9127.3164.160.90000109.1F1283 R1284F1283-S1295 CarbonylContact C-O 3.5Å; F1283-S1295 VanDerWaalsContact CA-O 3.31Å; F1283-S1295 WeakPolarHBondContact CA-O 3.24Å; R1284-S1295 PolarHBondContact N-O 2.84Å; R1284-S1295 PolarHBondContact O-N 3.2Å
1296E92.2Very high82.3Confident52 Ų5241.5 Ų41.524%0.24324%0.237CC..EExtended strand (participates in β ladder)trans-68.5148.7168.1-174.9151.6-15200110.5A977 R1281 F1283A977-E1296 HydrophobicContact CB-CB 4.2Å; R1281-E1296 WeakPolarHBondContact CB-OE1 3.32Å; R1281-E1296 WeakPolarHBondContact CG-OE1 3.48Å; R1281-E1296 IonicContact CZ-OE1 2.85Å; R1281-E1296 IonicContact CZ-OE2 2.64Å; R1281-E1296 IonicContact NE-OE1 3.56Å; R1281-E1296 PolarHBondContact NE-OE1 3.02Å; R1281-E1296 IonicContact NE-OE2 3.56Å; R1281-E1296 IonicContact NH2-OE1 3.79Å; R1281-E1296 PolarHBondContact NH2-OE1 3.17Å; R1281-E1296 IonicContact NH2-OE2 3.02Å; R1281-E1296 PolarHBondContact NH2-OE2 2.87Å; F1283-E1296 HydrophobicContact CD1-CB 3.61Å; F1283-E1296 HydrophobicContact CD1-CG 4Å; F1283-E1296 HydrophobicContact CE1-CB 3.69Å; F1283-E1296 VanDerWaalsContact CE1-CD 3.47Å; F1283-E1296 HydrophobicContact CE1-CG 3.79Å; F1283-E1296 HydrophobicContact CZ-CG 4.5Å
1297K89.7Confident82.4Confident64 Ų6442.4 Ų42.428%0.27825%0.245SC..EExtended strand (participates in β ladder)trans-99.1146.3166.2-72.1-77.2-174163.50108.2L1282 F1301 D1305L1282-K1297 HydrophobicContact CB-CB 4.29Å; L1282-K1297 HydrophobicContact CD2-CB 4.32Å; L1282-K1297 HydrophobicContact CD2-CG 4.18Å; L1282-K1297 HydrophobicContact CG-CG 4.48Å; L1282-K1297 PolarHBondContact O-N 3.48Å; K1297-F1301 HydrophobicContact CB-CB 4.08Å; K1297-D1305 HydrophobicContact CD-CB 4.16Å; K1297-D1305 WeakPolarHBondContact CE-OD1 3.19Å; K1297-D1305 HydrophobicContact CG-CB 4.37Å; K1297-D1305 IonicContact NZ-OD1 2.74Å; K1297-D1305 PolarHBondContact NZ-OD1 2.93Å
1298C81.4Confident82.8Confident78 Ų7841.3 Ų41.353%0.52724%0.241SC..PPolyproline II helixtrans-54.6163.2177.260.80000112.2D1300 F1301C1298-D1300 PolarHBondContact O-N 3.38Å; C1298-F1301 WeakPolarHBondContact O-CD1 3.44Å; C1298-F1301 PolarHBondContact O-N 3.3Å
1299A80.9Confident83.3Confident34 Ų3438.7 Ų38.728%0.28123%0.231SC..THydrogen-bonded Turntrans-58.7-18.7-174.700000115.2N1171N1171-A1299 WeakPolarHBondContact CB-O 3.13Å
1300D83.8Confident84.3Confident27 Ų2733.4 Ų33.414%0.14421%0.207CC..THydrogen-bonded Turntrans-101.846.8178.2-17131.7000112.9N1171 R1178 C1298N1171-D1300 HydrophobicContact CB-CB 3.96Å; N1171-D1300 WeakPolarHBondContact CB-OD1 3.2Å; N1171-D1300 PolarHBondContact ND2-OD1 3.28Å; R1178-D1300 IonicContact CZ-OD2 3.87Å; R1178-D1300 IonicContact NH1-OD1 3.46Å; R1178-D1300 PolarHBondContact NH1-OD1 3.32Å; R1178-D1300 IonicContact NH1-OD2 2.62Å; R1178-D1300 PolarHBondContact NH1-OD2 2.81Å; R1178-D1300 IonicContact NH2-OD2 3.43Å; R1178-D1300 PolarHBondContact NH2-OD2 2.75Å; C1298-D1300 PolarHBondContact O-N 3.38Å
1301F88.4Confident85.9Confident11 Ų1130 Ų305%0.04817%0.172CC..  trans-70.2142.7179.857.4-100.3000113.3L1282 K1297 C1298 L1314 F1374L1282-F1301 HydrophobicContact CB-CB 4.1Å; L1282-F1301 HydrophobicContact CB-CD1 3.58Å; L1282-F1301 HydrophobicContact CB-CD2 3.84Å; L1282-F1301 HydrophobicContact CB-CE1 3.9Å; L1282-F1301 HydrophobicContact CB-CE2 4.15Å; L1282-F1301 HydrophobicContact CB-CG 3.55Å; L1282-F1301 HydrophobicContact CB-CZ 4.18Å; L1282-F1301 HydrophobicContact CD2-CB 3.64Å; L1282-F1301 HydrophobicContact CD2-CD2 3.78Å; L1282-F1301 HydrophobicContact CD2-CG 3.78Å; L1282-F1301 HydrophobicContact CG-CD2 4.34Å; L1282-F1301 HydrophobicContact CG-CG 4.29Å; K1297-F1301 HydrophobicContact CB-CB 4.08Å; C1298-F1301 WeakPolarHBondContact O-CD1 3.44Å; C1298-F1301 PolarHBondContact O-N 3.3Å; F1301-L1314 HydrophobicContact CE1-CD1 4.46Å; F1301-L1314 HydrophobicContact CE2-CD1 3.57Å; F1301-L1314 HydrophobicContact CZ-CD1 3.5Å; F1301-L1314 VanDerWaalsContact CZ-CD1 3.5Å; F1301-F1374 AromaticContact CD2-CD1 3.79Å; F1301-F1374 HydrophobicContact CD2-CD1 3.79Å; F1301-F1374 AromaticContact CD2-CE1 3.7Å; F1301-F1374 HydrophobicContact CD2-CE1 3.7Å; F1301-F1374 HydrophobicContact CE2-CD1 4.06Å; F1301-F1374 AromaticContact CE2-CE1 3.91Å; F1301-F1374 HydrophobicContact CE2-CE1 3.91Å; F1301-F1374 HydrophobicContact CE2-CZ 4.39Å
1302C88.3Confident87.2Confident1 Ų126.8 Ų26.81%0.00716%0.159CC..BIsolated β-bridgetrans-111.4173.1-177.7770000112.9Q1130 Q1131 D1304 D1305 F1374Q1130-C1302 HydrophobicContact CB-CB 3.48Å; Q1130-C1302 VanDerWaalsContact CB-CB 3.48Å; Q1130-C1302 WeakPolarHBondContact O-CB 3.36Å; Q1131-C1302 VanDerWaalsContact CG-SG 3.58Å; C1302-D1304 PolarHBondContact O-N 2.58Å; C1302-D1304 PolarHBondContact SG-N 2.88Å; C1302-D1304 VanDerWaalsContact SG-N 3.36Å; C1302-D1305 PolarHBondContact N-OD2 3.19Å; C1302-D1305 WeakPolarHBondContact O-CB 3.4Å; C1302-D1305 PolarHBondContact O-N 3.15Å; C1302-D1305 PolarHBondContact SG-N 3.07Å; C1302-D1305 PolarHBondContact SG-OD2 3.34Å; C1302-F1374 WeakPolarHBondContact O-CD1 3.46Å
1303Q88.5Confident88Confident0 Ų026.6 Ų26.60%016%0.159CC..G310 helixtrans-66.6-24.7176.6-175-173.3-1900112.3R1087 D1305 L1306 F1374 W1377 G1378 Y1380R1087-Q1303 VanDerWaalsContact NH2-CG 3.32Å; Q1303-D1305 VanDerWaalsContact C-N 3.3Å; Q1303-D1305 PolarHBondContact O-N 2.83Å; Q1303-L1306 HydrophobicContact CG-CD1 4.19Å; Q1303-L1306 VanDerWaalsContact O-CB 3.26Å; Q1303-L1306 WeakPolarHBondContact O-CB 3.46Å; Q1303-L1306 WeakPolarHBondContact O-CG 3.43Å; Q1303-L1306 PolarHBondContact O-N 3.22Å; Q1303-F1374 HydrophobicContact CB-CB 4.43Å; Q1303-W1377 HydrophobicContact CB-CE3 4.24Å; Q1303-W1377 HydrophobicContact CB-CZ3 4.37Å; Q1303-W1377 HydrophobicContact CG-CD2 4.21Å; Q1303-W1377 HydrophobicContact CG-CE3 3.79Å; Q1303-W1377 HydrophobicContact CG-CH2 3.92Å; Q1303-W1377 HydrophobicContact CG-CZ2 4.33Å; Q1303-W1377 HydrophobicContact CG-CZ3 3.64Å; Q1303-W1377 VanDerWaalsContact OE1-CA 3.31Å; Q1303-W1377 VanDerWaalsContact OE1-CD2 3.27Å; Q1303-G1378 PolarHBondContact NE2-O 3.24Å; Q1303-G1378 PolarHBondContact OE1-O 3.12Å; Q1303-Y1380 HydrophobicContact CG-CE1 4.16Å
1304D84.9Confident88.5Confident49 Ų4926 Ų2626%0.26216%0.155SC..G310 helixtrans-83.9-4.1178.7-59.7-35.2000113.5R1087 C1302 L1306R1087-D1304 VanDerWaalsContact CD-OD2 3.31Å; R1087-D1304 WeakPolarHBondContact CD-OD2 3.46Å; R1087-D1304 WeakPolarHBondContact CG-OD2 3.15Å; R1087-D1304 IonicContact CZ-OD1 2.75Å; R1087-D1304 VanDerWaalsContact CZ-OD1 3.31Å; R1087-D1304 IonicContact CZ-OD2 3.96Å; R1087-D1304 IonicContact NE-OD1 3.81Å; R1087-D1304 PolarHBondContact NE-OD1 2.65Å; R1087-D1304 IonicContact NE-OD2 2.73Å; R1087-D1304 PolarHBondContact NE-OD2 3.44Å; R1087-D1304 IonicContact NH2-OD1 3.89Å; R1087-D1304 PolarHBondContact NH2-OD1 3Å; R1087-D1304 IonicContact NH2-OD2 3.22Å; C1302-D1304 PolarHBondContact O-N 2.58Å; C1302-D1304 PolarHBondContact SG-N 2.88Å; C1302-D1304 VanDerWaalsContact SG-N 3.36Å; D1304-L1306 PolarHBondContact O-N 3.26Å
1305D87.9Confident88.8Confident15 Ų1525.6 Ų25.68%0.0815%0.151CC..G310 helixtrans-74-10.2162-67.1-60.1000112.6Q1131 L1282 K1297 C1302 Q1303 A1307 M1312Q1131-D1305 PolarHBondContact NE2-OD1 3.5Å; Q1131-D1305 VanDerWaalsContact NE2-OD1 3.13Å; L1282-D1305 HydrophobicContact CD2-CB 3.96Å; K1297-D1305 HydrophobicContact CD-CB 4.16Å; K1297-D1305 WeakPolarHBondContact CE-OD1 3.19Å; K1297-D1305 HydrophobicContact CG-CB 4.37Å; K1297-D1305 IonicContact NZ-OD1 2.74Å; K1297-D1305 PolarHBondContact NZ-OD1 2.93Å; C1302-D1305 PolarHBondContact N-OD2 3.19Å; C1302-D1305 WeakPolarHBondContact O-CB 3.4Å; C1302-D1305 PolarHBondContact O-N 3.15Å; C1302-D1305 PolarHBondContact SG-N 3.07Å; C1302-D1305 PolarHBondContact SG-OD2 3.34Å; Q1303-D1305 VanDerWaalsContact C-N 3.3Å; Q1303-D1305 PolarHBondContact O-N 2.83Å; D1305-A1307 VanDerWaalsContact C-N 3.29Å; D1305-A1307 PolarHBondContact O-N 2.93Å; D1305-M1312 WeakPolarHBondContact O-CE 3.09Å
1306L89.5Confident88.7Confident3 Ų323.2 Ų23.22%0.01613%0.134CC..SBendtrans-8076.6177.6-60174.3000111.2L1282 Q1303 D1304 P1308 M1312 W1323 F1370 F1374 W1377 Y1380L1282-L1306 HydrophobicContact CD1-CD2 3.91Å; L1282-L1306 HydrophobicContact CD2-CD2 4.35Å; Q1303-L1306 HydrophobicContact CG-CD1 4.19Å; Q1303-L1306 VanDerWaalsContact O-CB 3.26Å; Q1303-L1306 WeakPolarHBondContact O-CB 3.46Å; Q1303-L1306 WeakPolarHBondContact O-CG 3.43Å; Q1303-L1306 PolarHBondContact O-N 3.22Å; D1304-L1306 PolarHBondContact O-N 3.26Å; L1306-P1308 WeakPolarHBondContact O-CD 3.44Å; L1306-M1312 HydrophobicContact CB-CG 4.31Å; L1306-M1312 HydrophobicContact CD2-CB 3.65Å; L1306-M1312 HydrophobicContact CD2-CE 4.22Å; L1306-M1312 HydrophobicContact CD2-CG 3.67Å; L1306-W1323 HydrophobicContact CB-CE3 4.45Å; L1306-W1323 HydrophobicContact CB-CH2 4.19Å; L1306-W1323 HydrophobicContact CB-CZ2 4.37Å; L1306-W1323 HydrophobicContact CB-CZ3 4.24Å; L1306-F1370 HydrophobicContact CD1-CE1 3.86Å; L1306-F1370 HydrophobicContact CD1-CZ 3.96Å; L1306-F1370 HydrophobicContact CD2-CZ 4.22Å; L1306-F1374 HydrophobicContact CD1-CD1 4.41Å; L1306-F1374 HydrophobicContact CD1-CE1 3.82Å; L1306-F1374 HydrophobicContact CD1-CE2 4.22Å; L1306-F1374 HydrophobicContact CD1-CZ 3.73Å; L1306-F1374 HydrophobicContact CD2-CE1 3.88Å; L1306-F1374 HydrophobicContact CD2-CZ 3.83Å; L1306-F1374 HydrophobicContact CG-CE1 3.91Å; L1306-F1374 HydrophobicContact CG-CZ 4.14Å; L1306-W1377 HydrophobicContact CD1-CH2 4.06Å; L1306-W1377 HydrophobicContact CD1-CZ3 3.85Å; L1306-Y1380 HydrophobicContact CB-CE1 4.34Å; L1306-Y1380 WeakPolarHBondContact CD1-OH 3.2Å
1307A87.7Confident88.5Confident23 Ų2320.7 Ų20.719%0.1912%0.123CC..  trans-57.7117-179.700000111.3D1305 D1309 D1310 M1312 W1323D1305-A1307 VanDerWaalsContact C-N 3.29Å; D1305-A1307 PolarHBondContact O-N 2.93Å; A1307-D1309 PolarHBondContact O-N 2.93Å; A1307-D1310 HydrophobicContact CB-CB 4.44Å; A1307-D1310 WeakPolarHBondContact CB-OD2 3.33Å; A1307-D1310 PolarHBondContact O-N 2.76Å; A1307-M1312 HydrophobicContact CB-SD 4.34Å; A1307-W1323 WeakPolarHBondContact O-CZ3 3.23Å
1308P84.4Confident88.5Confident37 Ų3720.1 Ų20.124%0.2413%0.127CC..THydrogen-bonded Turntrans-77.8-7-17233.2-37.2000113.6L1306 W1323 S1325L1306-P1308 WeakPolarHBondContact O-CD 3.44Å; P1308-W1323 HydrophobicContact CB-CH2 4.32Å; P1308-S1325 WeakPolarHBondContact O-CB 3.15Å; P1308-S1325 PolarHBondContact O-OG 2.85Å
1309D83.1Confident89Confident76 Ų7617.7 Ų17.741%0.40611%0.108SC..THydrogen-bonded Turntrans-93.6-22.5-179.8-53.9-69.7000111.4A1307 R1327 T1328A1307-D1309 PolarHBondContact O-N 2.93Å; D1309-R1327 WeakPolarHBondContact OD1-CD 3.35Å; D1309-R1327 IonicContact OD1-CZ 3.86Å; D1309-R1327 IonicContact OD1-NE 3.92Å; D1309-R1327 IonicContact OD1-NH1 3.53Å; D1309-R1327 PolarHBondContact OD1-NH1 3.4Å; D1309-R1327 IonicContact OD2-NH1 3.91Å; D1309-T1328 WeakPolarHBondContact O-CA 3.47Å
1310D87.4Confident89.7Confident9 Ų916.1 Ų16.15%0.0489%0.094CC..SBendtrans-101.1-163.3-179.5-49.3-79.7000112.9R1284 S1286 A1307 T1328R1284-D1310 HydrophobicContact CG-CB 4.31Å; R1284-D1310 IonicContact CZ-OD1 2.74Å; R1284-D1310 IonicContact CZ-OD2 3.75Å; R1284-D1310 VanDerWaalsContact NE-CG 3.33Å; R1284-D1310 IonicContact NE-OD1 3.17Å; R1284-D1310 IonicContact NE-OD2 3.63Å; R1284-D1310 PolarHBondContact NE-OD2 2.59Å; R1284-D1310 VanDerWaalsContact NH2-CG 3.3Å; R1284-D1310 IonicContact NH2-OD1 3.41Å; R1284-D1310 PolarHBondContact NH2-OD1 3.12Å; R1284-D1310 IonicContact NH2-OD2 3.91Å; R1284-D1310 PolarHBondContact NH2-OD2 3.28Å; S1286-D1310 WeakPolarHBondContact CB-OD1 3.5Å; S1286-D1310 PolarHBondContact OG-OD1 2.72Å; A1307-D1310 HydrophobicContact CB-CB 4.44Å; A1307-D1310 WeakPolarHBondContact CB-OD2 3.33Å; A1307-D1310 PolarHBondContact O-N 2.76Å; D1310-T1328 WeakPolarHBondContact O-CG2 3.29Å; D1310-T1328 PolarHBondContact O-OG1 2.82Å
1311V92.3Very high90.3Very high0 Ų015.2 Ų15.20%09%0.089CC..EExtended strand (participates in β ladder)trans-110.1144160.3176.90000110.9L1285 L1322 T1328 E1332 S1336L1285-V1311 WeakPolarHBondContact CA-O 3.31Å; L1285-V1311 HydrophobicContact CB-CB 4.15Å; L1285-V1311 WeakPolarHBondContact CB-O 3.47Å; L1285-V1311 HydrophobicContact CD1-CG1 4.32Å; L1285-V1311 PolarHBondContact N-O 2.98Å; L1285-V1311 PolarHBondContact O-N 3.46Å; V1311-L1322 HydrophobicContact CG1-CD2 3.75Å; V1311-T1328 HydrophobicContact CG2-CG2 3.26Å; V1311-E1332 HydrophobicContact CG2-CB 3.9Å; V1311-S1336 VanDerWaalsContact CG1-CB 3.4Å
1312M95.6Very high90.6Very high2 Ų214.8 Ų14.81%0.019%0.087CC..EExtended strand (participates in β ladder)trans-112.2139.2171.3-54.7-62.9-57.500111.2L1282 F1283 R1284 D1305 L1306 A1307 W1323L1282-M1312 HydrophobicContact CD1-CB 4.43Å; L1282-M1312 HydrophobicContact CD1-CE 4.01Å; L1282-M1312 HydrophobicContact CD2-CE 3.91Å; L1282-M1312 HydrophobicContact CG-CE 3.87Å; F1283-M1312 WeakPolarHBondContact O-CA 3.48Å; R1284-M1312 HydrophobicContact CB-CE 4.04Å; R1284-M1312 HydrophobicContact CB-SD 3.92Å; R1284-M1312 HydrophobicContact CG-SD 4.01Å; D1305-M1312 WeakPolarHBondContact O-CE 3.09Å; L1306-M1312 HydrophobicContact CB-CG 4.31Å; L1306-M1312 HydrophobicContact CD2-CB 3.65Å; L1306-M1312 HydrophobicContact CD2-CE 4.22Å; L1306-M1312 HydrophobicContact CD2-CG 3.67Å; A1307-M1312 HydrophobicContact CB-SD 4.34Å; M1312-W1323 HydrophobicContact CB-CB 4.3Å; M1312-W1323 HydrophobicContact CB-CE3 4.19Å; M1312-W1323 HydrophobicContact CG-CE3 3.89Å; M1312-W1323 HydrophobicContact CG-CZ3 4.28Å; M1312-W1323 PolarHBondContact N-O 2.86Å; M1312-W1323 VanDerWaalsContact N-O 3.13Å; M1312-W1323 PolarHBondContact O-N 2.72Å
1313L96.1Very high91Very high0 Ų014.7 Ų14.70%09%0.087CC..EExtended strand (participates in β ladder)trans-117.1123.6175-173.2163.8000109.2L978 L1282 F1283 L1285 I1320 Y1321 L1322 A1340 Y1343L978-L1313 HydrophobicContact CD1-CD1 4.34Å; L978-L1313 HydrophobicContact CD2-CD1 3.96Å; L978-L1313 HydrophobicContact CD2-CD2 4.25Å; L1282-L1313 CarbonylContact C-O 3.32Å; L1282-L1313 WeakPolarHBondContact CA-O 3.13Å; F1283-L1313 HydrophobicContact CB-CB 4.39Å; F1283-L1313 HydrophobicContact CD2-CB 4.5Å; F1283-L1313 HydrophobicContact CD2-CD2 3.68Å; F1283-L1313 HydrophobicContact CE2-CD2 4.08Å; F1283-L1313 PolarHBondContact N-O 2.62Å; F1283-L1313 PolarHBondContact O-N 3.39Å; L1285-L1313 HydrophobicContact CD1-CB 3.86Å; L1285-L1313 HydrophobicContact CD1-CD1 4.01Å; L1285-L1313 HydrophobicContact CG-CB 4.24Å; L1313-I1320 HydrophobicContact CD2-CG2 3.82Å; L1313-I1320 HydrophobicContact CG-CG2 3.98Å; L1313-Y1321 CarbonylContact C-O 3.26Å; L1313-Y1321 WeakPolarHBondContact CA-O 3.39Å; L1313-L1322 HydrophobicContact CB-CD2 4.2Å; L1313-L1322 HydrophobicContact CD1-CD2 4.42Å; L1313-L1322 HydrophobicContact CG-CD2 4.34Å; L1313-A1340 HydrophobicContact CD1-CB 3.66Å; L1313-A1340 HydrophobicContact CG-CB 4.29Å; L1313-Y1343 HydrophobicContact CD2-CD1 3.82Å; L1313-Y1343 HydrophobicContact CD2-CE1 4.15Å; L1313-Y1343 HydrophobicContact CD2-CG 4.29Å
1314L95.7Very high91.1Very high1 Ų116.5 Ų16.51%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-120.7123.8178.8174.574.8000110.5R1281 L1282 F1301 T1316 I1320 Y1321 F1370 C1373 F1374R1281-L1314 WeakPolarHBondContact O-CA 3.34Å; L1282-L1314 HydrophobicContact CB-CD1 4.29Å; L1282-L1314 HydrophobicContact CD1-CB 4.01Å; L1282-L1314 HydrophobicContact CD1-CD1 4.14Å; F1301-L1314 HydrophobicContact CE1-CD1 4.46Å; F1301-L1314 HydrophobicContact CE2-CD1 3.57Å; F1301-L1314 HydrophobicContact CZ-CD1 3.5Å; F1301-L1314 VanDerWaalsContact CZ-CD1 3.5Å; L1314-T1316 HydrophobicContact CD2-CG2 4Å; L1314-T1316 HydrophobicContact CG-CG2 4.26Å; L1314-I1320 CarbonylContact O-C 3.54Å; L1314-I1320 VanDerWaalsContact O-CA 3.29Å; L1314-I1320 WeakPolarHBondContact O-CA 3.42Å; L1314-Y1321 PolarHBondContact N-O 3.49Å; L1314-Y1321 PolarHBondContact O-N 3.34Å; L1314-F1370 HydrophobicContact CB-CD2 4.43Å; L1314-F1370 HydrophobicContact CB-CE2 3.99Å; L1314-F1370 HydrophobicContact CD2-CD2 3.46Å; L1314-F1370 VanDerWaalsContact CD2-CD2 3.46Å; L1314-F1370 HydrophobicContact CD2-CE2 3.65Å; L1314-F1370 HydrophobicContact CD2-CG 4.16Å; L1314-F1370 HydrophobicContact CD2-CZ 4.47Å; L1314-F1370 HydrophobicContact CG-CE2 4.49Å; L1314-C1373 HydrophobicContact CD1-CB 4.3Å; L1314-C1373 HydrophobicContact CD2-CB 3.85Å; L1314-F1374 HydrophobicContact CD1-CZ 4.28Å; L1314-F1374 HydrophobicContact CD2-CE2 3.76Å; L1314-F1374 HydrophobicContact CD2-CZ 3.93Å
1315D94.5Very high91.1Very high1 Ų115 Ų151%0.0059%0.086CC..EExtended strand (participates in β ladder)trans-85135.1158.4-164.58.6000110.4G1280 R1281 G1317 Y1343 L1347 R1356G1280-D1315 WeakPolarHBondContact CA-O 3.32Å; R1281-D1315 PolarHBondContact N-O 2.84Å; R1281-D1315 PolarHBondContact O-N 3.01Å; D1315-G1317 PolarHBondContact OD1-N 3.28Å; D1315-Y1343 HydrophobicContact CB-CE1 3.82Å; D1315-L1347 WeakPolarHBondContact OD2-CD1 3.37Å; D1315-R1356 VanDerWaalsContact CG-NE 3.32Å; D1315-R1356 WeakPolarHBondContact OD1-CD 3.22Å; D1315-R1356 IonicContact OD1-CZ 2.91Å; D1315-R1356 IonicContact OD1-NE 3.53Å; D1315-R1356 PolarHBondContact OD1-NE 2.76Å; D1315-R1356 IonicContact OD2-CZ 2.82Å; D1315-R1356 VanDerWaalsContact OD2-CZ 3.26Å; D1315-R1356 IonicContact OD2-NE 2.66Å; D1315-R1356 PolarHBondContact OD2-NE 3.47Å; D1315-R1356 IonicContact OD2-NH2 3.5Å; D1315-R1356 PolarHBondContact OD2-NH2 2.97Å
1316T91.1Very high90.6Very high4 Ų424.6 Ų24.63%0.02513%0.127CC..  trans-104.65171.773.90000112.5L1314 S1318 Q1319 Y1321 C1373L1314-T1316 HydrophobicContact CD2-CG2 4Å; L1314-T1316 HydrophobicContact CG-CG2 4.26Å; T1316-S1318 PolarHBondContact O-N 3.21Å; T1316-S1318 PolarHBondContact OG1-N 3.33Å; T1316-S1318 PolarHBondContact OG1-OG 2.92Å; T1316-Q1319 PolarHBondContact N-O 2.68Å; T1316-Q1319 PolarHBondContact OG1-N 3.44Å; T1316-Q1319 PolarHBondContact OG1-O 3.43Å; T1316-Y1321 HydrophobicContact CG2-CD2 3.86Å; T1316-Y1321 HydrophobicContact CG2-CE2 4.01Å; T1316-C1373 VanDerWaalsContact CG2-SG 3.56Å
1317G88.1Confident90.1Very high0 Ų031.2 Ų31.20%015%0.152CC..SBendtrans79.3-9.5-16900000114D1315 R1354 R1356D1315-G1317 PolarHBondContact OD1-N 3.28Å; G1317-R1354 WeakPolarHBondContact O-CG 3.17Å; G1317-R1354 PolarHBondContact O-NE 2.9Å; G1317-R1354 PolarHBondContact O-NH2 3.27Å; G1317-R1356 VanDerWaalsContact C-CD 3.43Å; G1317-R1356 VanDerWaalsContact C-NE 3.26Å; G1317-R1356 WeakPolarHBondContact O-CD 3.24Å; G1317-R1356 PolarHBondContact O-NE 3.44Å
1318S88.2Confident89.7Confident52 Ų5230.4 Ų30.436%0.36415%0.145SC..SBendtrans-136.9-25176.764.40000112.9T1316 R1356 Q1357T1316-S1318 PolarHBondContact O-N 3.21Å; T1316-S1318 PolarHBondContact OG1-N 3.33Å; T1316-S1318 PolarHBondContact OG1-OG 2.92Å; S1318-R1356 WeakPolarHBondContact O-CA 3.45Å; S1318-Q1357 PolarHBondContact O-N 2.87Å
1319Q93Very high89.4Confident27 Ų2730.3 Ų30.313%0.12615%0.145CC..EExtended strand (participates in β ladder)trans-136.1141.1-180-55.6-175.68.400109T1316 Y1321 Q1357 K1359T1316-Q1319 PolarHBondContact N-O 2.68Å; T1316-Q1319 PolarHBondContact OG1-N 3.44Å; T1316-Q1319 PolarHBondContact OG1-O 3.43Å; Q1319-Y1321 HydrophobicContact CB-CD2 4.31Å; Q1319-Y1321 HydrophobicContact CB-CE2 3.95Å; Q1319-Y1321 PolarHBondContact OE1-OH 3.04Å; Q1319-Q1357 CarbonylContact C-O 3.59Å; Q1319-Q1357 WeakPolarHBondContact CA-O 3.38Å; Q1319-Q1357 HydrophobicContact CG-CB 4.39Å; Q1319-K1359 HydrophobicContact CB-CG 4.26Å
1320I95Very high89.1Confident0 Ų031 Ų310%015%0.149CC..EExtended strand (participates in β ladder)trans-104.2119.9169.1-67.5152.8000106.4L1313 L1314 A1340 Y1343 Q1344 L1347 R1356 Q1357 L1358 K1359L1313-I1320 HydrophobicContact CD2-CG2 3.82Å; L1313-I1320 HydrophobicContact CG-CG2 3.98Å; L1314-I1320 CarbonylContact O-C 3.54Å; L1314-I1320 VanDerWaalsContact O-CA 3.29Å; L1314-I1320 WeakPolarHBondContact O-CA 3.42Å; I1320-A1340 HydrophobicContact CG2-CB 4.22Å; I1320-Y1343 HydrophobicContact CD1-CD1 3.58Å; I1320-Y1343 HydrophobicContact CD1-CE1 4.05Å; I1320-Y1343 HydrophobicContact CG1-CD1 3.86Å; I1320-Y1343 HydrophobicContact CG1-CE1 4.02Å; I1320-Y1343 HydrophobicContact CG2-CD1 4.29Å; I1320-Q1344 HydrophobicContact CD1-CB 3.43Å; I1320-Q1344 VanDerWaalsContact CD1-CB 3.43Å; I1320-Q1344 HydrophobicContact CD1-CG 3.98Å; I1320-L1347 HydrophobicContact CD1-CD1 4.34Å; I1320-R1356 HydrophobicContact CD1-CB 3.57Å; I1320-R1356 HydrophobicContact CD1-CG 3.88Å; I1320-R1356 HydrophobicContact CG1-CB 3.98Å; I1320-R1356 HydrophobicContact CG1-CG 4.21Å; I1320-Q1357 PolarHBondContact N-O 3.37Å; I1320-L1358 HydrophobicContact CB-CD1 4.13Å; I1320-L1358 HydrophobicContact CG2-CD1 3.84Å; I1320-L1358 CarbonylContact O-C 3.56Å; I1320-L1358 WeakPolarHBondContact O-CA 3.29Å; I1320-K1359 PolarHBondContact O-N 3.16Å
1321Y96.3Very high88.4Confident9 Ų932.6 Ų32.64%0.03516%0.159CC..EExtended strand (participates in β ladder)trans-99.4129.7174.9-78-84.4000110.2L1313 L1314 T1316 Q1319 K1359 T1361 P1367 F1370L1313-Y1321 CarbonylContact C-O 3.26Å; L1313-Y1321 WeakPolarHBondContact CA-O 3.39Å; L1314-Y1321 PolarHBondContact N-O 3.49Å; L1314-Y1321 PolarHBondContact O-N 3.34Å; T1316-Y1321 HydrophobicContact CG2-CD2 3.86Å; T1316-Y1321 HydrophobicContact CG2-CE2 4.01Å; Q1319-Y1321 HydrophobicContact CB-CD2 4.31Å; Q1319-Y1321 HydrophobicContact CB-CE2 3.95Å; Q1319-Y1321 PolarHBondContact OE1-OH 3.04Å; Y1321-K1359 WeakPolarHBondContact CA-O 3.34Å; Y1321-K1359 HydrophobicContact CD1-CB 3.48Å; Y1321-K1359 VanDerWaalsContact CD1-CB 3.48Å; Y1321-K1359 HydrophobicContact CD1-CG 4.29Å; Y1321-K1359 HydrophobicContact CE1-CB 3.45Å; Y1321-K1359 VanDerWaalsContact CE1-CB 3.45Å; Y1321-K1359 HydrophobicContact CE1-CG 3.88Å; Y1321-K1359 HydrophobicContact CG-CB 4.16Å; Y1321-T1361 HydrophobicContact CD1-CG2 3.89Å; Y1321-P1367 HydrophobicContact CE1-CG 3.48Å; Y1321-P1367 VanDerWaalsContact CE1-CG 3.48Å; Y1321-P1367 WeakPolarHBondContact OH-CG 3.31Å; Y1321-F1370 VanDerWaalsContact CB-CD2 3.49Å; Y1321-F1370 HydrophobicContact CD1-CB 4.42Å; Y1321-F1370 HydrophobicContact CD1-CD2 4.08Å; Y1321-F1370 HydrophobicContact CD2-CB 4.13Å; Y1321-F1370 AromaticContact CD2-CD2 3.8Å; Y1321-F1370 HydrophobicContact CD2-CD2 3.8Å; Y1321-F1370 HydrophobicContact CD2-CG 4.49Å; Y1321-F1370 HydrophobicContact CE1-CB 4.32Å; Y1321-F1370 HydrophobicContact CE2-CB 4Å; Y1321-F1370 HydrophobicContact CG-CB 4.32Å; Y1321-F1370 AromaticContact CG-CD2 3.53Å; Y1321-F1370 HydrophobicContact CG-CD2 3.53Å; Y1321-F1370 HydrophobicContact CG-CE2 4.32Å; Y1321-F1370 HydrophobicContact CG-CG 4.39Å
1322L95.8Very high87.9Confident1 Ų132.9 Ų32.91%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-86.9130.3150.8-74.6176.2000108.8L1285 V1311 L1313 W1324 L1337 A1340 K1359 L1360 T1361L1285-L1322 HydrophobicContact CD1-CD2 4.25Å; V1311-L1322 HydrophobicContact CG1-CD2 3.75Å; L1313-L1322 HydrophobicContact CB-CD2 4.2Å; L1313-L1322 HydrophobicContact CD1-CD2 4.42Å; L1313-L1322 HydrophobicContact CG-CD2 4.34Å; L1322-W1324 HydrophobicContact CD1-CZ2 4.45Å; L1322-L1337 HydrophobicContact CD1-CB 4.23Å; L1322-L1337 HydrophobicContact CD1-CD1 4.12Å; L1322-A1340 HydrophobicContact CD1-CB 3.7Å; L1322-A1340 HydrophobicContact CD2-CB 3.64Å; L1322-A1340 HydrophobicContact CG-CB 3.54Å; L1322-K1359 PolarHBondContact N-O 3.14Å; L1322-L1360 HydrophobicContact CB-CD1 3.95Å; L1322-T1361 WeakPolarHBondContact O-CG2 3.35Å; L1322-T1361 PolarHBondContact O-N 2.91Å
1323W95.2Very high87.4Confident0 Ų035.3 Ų35.30%017%0.171CC..EExtended strand (participates in β ladder)trans-113.2120.2172.4179.8101.5000108.6L1306 A1307 P1308 M1312 T1361 K1363 E1366 F1370 Y1380L1306-W1323 HydrophobicContact CB-CE3 4.45Å; L1306-W1323 HydrophobicContact CB-CH2 4.19Å; L1306-W1323 HydrophobicContact CB-CZ2 4.37Å; L1306-W1323 HydrophobicContact CB-CZ3 4.24Å; A1307-W1323 WeakPolarHBondContact O-CZ3 3.23Å; P1308-W1323 HydrophobicContact CB-CH2 4.32Å; M1312-W1323 HydrophobicContact CB-CB 4.3Å; M1312-W1323 HydrophobicContact CB-CE3 4.19Å; M1312-W1323 HydrophobicContact CG-CE3 3.89Å; M1312-W1323 HydrophobicContact CG-CZ3 4.28Å; M1312-W1323 PolarHBondContact N-O 2.86Å; M1312-W1323 VanDerWaalsContact N-O 3.13Å; M1312-W1323 PolarHBondContact O-N 2.72Å; W1323-T1361 WeakPolarHBondContact CA-O 3.4Å; W1323-T1361 HydrophobicContact CB-CG2 3.82Å; W1323-T1361 HydrophobicContact CG-CG2 4.15Å; W1323-K1363 HydrophobicContact CH2-CB 4.18Å; W1323-K1363 HydrophobicContact CH2-CD 4.3Å; W1323-K1363 HydrophobicContact CH2-CG 4.33Å; W1323-K1363 HydrophobicContact CZ2-CB 3.52Å; W1323-K1363 HydrophobicContact CZ2-CD 4.13Å; W1323-K1363 HydrophobicContact CZ2-CG 3.69Å; W1323-E1366 PolarHBondContact NE1-OE1 3.28Å; W1323-F1370 HydrophobicContact CB-CE2 4Å; W1323-F1370 HydrophobicContact CB-CZ 3.75Å; W1323-F1370 AromaticContact CD1-CE1 3.65Å; W1323-F1370 AromaticContact CD1-CZ 3.49Å; W1323-F1370 VanDerWaalsContact CD1-CZ 3.49Å; W1323-F1370 HydrophobicContact CG-CE1 4.38Å; W1323-F1370 HydrophobicContact CG-CE2 4.49Å; W1323-F1370 AromaticContact CG-CZ 3.79Å; W1323-F1370 HydrophobicContact CG-CZ 3.79Å; W1323-Y1380 HydrophobicContact CZ2-CE1 4.24Å; W1323-Y1380 HydrophobicContact CZ2-CE2 4.11Å; W1323-Y1380 AromaticContact CZ2-CZ 3.57Å; W1323-Y1380 WeakPolarHBondContact CZ2-OH 3.48Å
1324W92Very high86.5Confident38 Ų3839.6 Ų39.614%0.14419%0.19CC..EExtended strand (participates in β ladder)trans-114.5155.9178.1-61.2-16.4000111.2L1322 Q1333 S1336 L1360 T1361 V1362 K1363L1322-W1324 HydrophobicContact CD1-CZ2 4.45Å; W1324-Q1333 HydrophobicContact CD2-CB 4.29Å; W1324-Q1333 HydrophobicContact CD2-CG 3.81Å; W1324-Q1333 HydrophobicContact CE3-CB 4.38Å; W1324-Q1333 HydrophobicContact CE3-CG 3.91Å; W1324-Q1333 HydrophobicContact CG-CG 4.27Å; W1324-Q1333 HydrophobicContact CH2-CB 4Å; W1324-Q1333 HydrophobicContact CH2-CG 4.43Å; W1324-Q1333 HydrophobicContact CZ2-CB 3.87Å; W1324-Q1333 HydrophobicContact CZ2-CG 4.33Å; W1324-Q1333 VanDerWaalsContact CZ2-O 3.26Å; W1324-Q1333 WeakPolarHBondContact CZ2-O 3.37Å; W1324-Q1333 HydrophobicContact CZ3-CB 4.25Å; W1324-Q1333 HydrophobicContact CZ3-CG 4.23Å; W1324-S1336 PolarHBondContact NE1-OG 3.47Å; W1324-L1360 HydrophobicContact CD2-CD1 3.49Å; W1324-L1360 VanDerWaalsContact CD2-CD1 3.49Å; W1324-L1360 HydrophobicContact CE3-CD1 3.7Å; W1324-L1360 HydrophobicContact CE3-CD2 3.99Å; W1324-L1360 HydrophobicContact CE3-CG 4.45Å; W1324-L1360 HydrophobicContact CG-CD1 3.97Å; W1324-L1360 HydrophobicContact CH2-CD1 4.14Å; W1324-L1360 HydrophobicContact CH2-CD2 4.03Å; W1324-L1360 HydrophobicContact CZ2-CD1 3.95Å; W1324-L1360 HydrophobicContact CZ3-CD1 4.03Å; W1324-L1360 HydrophobicContact CZ3-CD2 3.68Å; W1324-T1361 PolarHBondContact N-O 3.02Å; W1324-T1361 VanDerWaalsContact N-O 3.08Å; W1324-V1362 HydrophobicContact CB-CG1 4.38Å; W1324-V1362 CarbonylContact O-C 3.37Å; W1324-V1362 WeakPolarHBondContact O-CA 3.22Å; W1324-K1363 PolarHBondContact O-N 2.96Å
1325S83.8Confident85.9Confident16 Ų1641 Ų4111%0.11220%0.197CC..  trans-118.2174.6176.1159.40000110.5P1308 R1327 T1328P1308-S1325 WeakPolarHBondContact O-CB 3.15Å; P1308-S1325 PolarHBondContact O-OG 2.85Å; S1325-R1327 PolarHBondContact O-N 2.99Å; S1325-R1327 PolarHBondContact OG-N 2.99Å; S1325-T1328 PolarHBondContact N-OG1 2.79Å; S1325-T1328 PolarHBondContact O-OG1 3.06Å
1326K77.3Confident85.7Confident217 Ų21740.9 Ų40.994%0.94320%0.197SC*.SBendtrans-69.9-15.3172.6-70.8-177177.8177.90113.5
1327R80.6Confident85.5Confident143 Ų14343.3 Ų43.354%0.5421%0.209SC..SBendtrans-98.1-26.1-179-58.3-176.8176-175.6-6.6113.2D1309 S1325 S1329 D1385D1309-R1327 WeakPolarHBondContact OD1-CD 3.35Å; D1309-R1327 IonicContact OD1-CZ 3.86Å; D1309-R1327 IonicContact OD1-NE 3.92Å; D1309-R1327 IonicContact OD1-NH1 3.53Å; D1309-R1327 PolarHBondContact OD1-NH1 3.4Å; D1309-R1327 IonicContact OD2-NH1 3.91Å; S1325-R1327 PolarHBondContact O-N 2.99Å; S1325-R1327 PolarHBondContact OG-N 2.99Å; R1327-S1329 PolarHBondContact O-N 3.4Å; R1327-D1385 IonicContact NH2-OD2 2.88Å
1328T77.8Confident85.2Confident6 Ų645.4 Ų45.44%0.03722%0.219CC..SBendtrans-47124.2174-52.70000112.8D1309 D1310 V1311 S1325 E1332 Q1333D1309-T1328 WeakPolarHBondContact O-CA 3.47Å; D1310-T1328 WeakPolarHBondContact O-CG2 3.29Å; D1310-T1328 PolarHBondContact O-OG1 2.82Å; V1311-T1328 HydrophobicContact CG2-CG2 3.26Å; S1325-T1328 PolarHBondContact N-OG1 2.79Å; S1325-T1328 PolarHBondContact O-OG1 3.06Å; T1328-E1332 HydrophobicContact CG2-CB 4.25Å; T1328-Q1333 HydrophobicContact CG2-CG 3.8Å; T1328-Q1333 PolarHBondContact O-NE2 3.27Å
1329S79.4Confident85.2Confident35 Ų3543 Ų4325%0.24520%0.202CC..  trans-70.3152.2-175.974.10000114R1327 V1331 E1332 Q1333R1327-S1329 PolarHBondContact O-N 3.4Å; S1329-V1331 PolarHBondContact O-N 3.38Å; S1329-V1331 VanDerWaalsContact O-N 3.07Å; S1329-E1332 VanDerWaalsContact CB-OE2 3.24Å; S1329-E1332 WeakPolarHBondContact CB-OE2 3.26Å; S1329-E1332 PolarHBondContact N-OE2 3.33Å; S1329-E1332 VanDerWaalsContact N-OE2 3.16Å; S1329-E1332 PolarHBondContact O-N 2.99Å; S1329-E1332 VanDerWaalsContact O-N 3.07Å; S1329-E1332 WeakPolarHBondContact OG-CG 3.46Å; S1329-E1332 PolarHBondContact OG-N 3.13Å; S1329-E1332 PolarHBondContact OG-OE2 3.49Å; S1329-Q1333 WeakPolarHBondContact O-CG 3.42Å; S1329-Q1333 PolarHBondContact O-N 2.83Å
1330D74.9Confident85.1Confident90 Ų9041.7 Ų41.748%0.48120%0.196SC..Hα-helixtrans-53.7-25.7170.4-86.217000113.4K1334D1330-K1334 VanDerWaalsContact O-CD 3.27Å; D1330-K1334 WeakPolarHBondContact O-CD 3.28Å; D1330-K1334 VanDerWaalsContact O-CG 3.23Å; D1330-K1334 WeakPolarHBondContact O-CG 3.43Å; D1330-K1334 PolarHBondContact O-N 3.47Å
1331V73.9Confident84.7Confident42 Ų4242.6 Ų42.626%0.25520%0.2SC..Hα-helixtrans-71.4-51.7176.6172.90000109.6L966 S1329 K1334 L1335L966-V1331 HydrophobicContact CD2-CB 4.32Å; L966-V1331 HydrophobicContact CD2-CG1 3.81Å; L966-V1331 HydrophobicContact CD2-CG2 3.89Å; L966-V1331 HydrophobicContact CG-CG2 4.42Å; S1329-V1331 PolarHBondContact O-N 3.38Å; S1329-V1331 VanDerWaalsContact O-N 3.07Å; V1331-K1334 PolarHBondContact O-N 2.93Å; V1331-L1335 HydrophobicContact CG1-CD1 3.72Å; V1331-L1335 HydrophobicContact CG1-CG 4.43Å; V1331-L1335 WeakPolarHBondContact O-CG 3.45Å; V1331-L1335 PolarHBondContact O-N 3Å
1332E81.7Confident84.3Confident7 Ų742.2 Ų42.23%0.03320%0.198CC..Hα-helixtrans-70.9-34.8-178.9-65.8156.7123.800112.1N1287 F1292 V1311 T1328 S1329 K1334 L1335 S1336N1287-E1332 HydrophobicContact CB-CG 4.24Å; N1287-E1332 PolarHBondContact N-OE1 2.78Å; N1287-E1332 VanDerWaalsContact N-OE1 3.09Å; N1287-E1332 WeakPolarHBondContact ND2-CG 3.33Å; N1287-E1332 PolarHBondContact ND2-OE1 3.02Å; N1287-E1332 PolarHBondContact ND2-OE2 3.23Å; F1292-E1332 HydrophobicContact CD2-CG 4.16Å; F1292-E1332 HydrophobicContact CE2-CB 4.22Å; F1292-E1332 HydrophobicContact CE2-CG 4.04Å; V1311-E1332 HydrophobicContact CG2-CB 3.9Å; T1328-E1332 HydrophobicContact CG2-CB 4.25Å; S1329-E1332 VanDerWaalsContact CB-OE2 3.24Å; S1329-E1332 WeakPolarHBondContact CB-OE2 3.26Å; S1329-E1332 PolarHBondContact N-OE2 3.33Å; S1329-E1332 VanDerWaalsContact N-OE2 3.16Å; S1329-E1332 PolarHBondContact O-N 2.99Å; S1329-E1332 VanDerWaalsContact O-N 3.07Å; S1329-E1332 WeakPolarHBondContact OG-CG 3.46Å; S1329-E1332 PolarHBondContact OG-N 3.13Å; S1329-E1332 PolarHBondContact OG-OE2 3.49Å; E1332-K1334 VanDerWaalsContact C-N 3.27Å; E1332-K1334 PolarHBondContact O-N 2.85Å; E1332-L1335 PolarHBondContact O-N 3.07Å; E1332-S1336 WeakPolarHBondContact O-CB 3.31Å; E1332-S1336 PolarHBondContact O-N 2.78Å; E1332-S1336 PolarHBondContact O-OG 3.32Å
1333Q84.3Confident84.1Confident52 Ų5242.1 Ų42.124%0.24320%0.198CC..Hα-helixtrans-56.9-41.3171.3-68.7175.444.700111.6W1324 T1328 S1329 S1336 L1337W1324-Q1333 HydrophobicContact CD2-CB 4.29Å; W1324-Q1333 HydrophobicContact CD2-CG 3.81Å; W1324-Q1333 HydrophobicContact CE3-CB 4.38Å; W1324-Q1333 HydrophobicContact CE3-CG 3.91Å; W1324-Q1333 HydrophobicContact CG-CG 4.27Å; W1324-Q1333 HydrophobicContact CH2-CB 4Å; W1324-Q1333 HydrophobicContact CH2-CG 4.43Å; W1324-Q1333 HydrophobicContact CZ2-CB 3.87Å; W1324-Q1333 HydrophobicContact CZ2-CG 4.33Å; W1324-Q1333 VanDerWaalsContact CZ2-O 3.26Å; W1324-Q1333 WeakPolarHBondContact CZ2-O 3.37Å; W1324-Q1333 HydrophobicContact CZ3-CB 4.25Å; W1324-Q1333 HydrophobicContact CZ3-CG 4.23Å; T1328-Q1333 HydrophobicContact CG2-CG 3.8Å; T1328-Q1333 PolarHBondContact O-NE2 3.27Å; S1329-Q1333 WeakPolarHBondContact O-CG 3.42Å; S1329-Q1333 PolarHBondContact O-N 2.83Å; Q1333-S1336 PolarHBondContact O-OG 3.44Å; Q1333-L1337 WeakPolarHBondContact O-CB 3.23Å; Q1333-L1337 PolarHBondContact O-N 3.49Å
1334K78.7Confident83.9Confident91 Ų9144.8 Ų44.840%0.39621%0.211SC..Hα-helixtrans-71.6-50.6176.5-70.1166.4-170.1167.80112.1L966 D1330 V1331 E1332 L1337 Q1338L966-K1334 HydrophobicContact CD1-CD 4.37Å; D1330-K1334 VanDerWaalsContact O-CD 3.27Å; D1330-K1334 WeakPolarHBondContact O-CD 3.28Å; D1330-K1334 VanDerWaalsContact O-CG 3.23Å; D1330-K1334 WeakPolarHBondContact O-CG 3.43Å; D1330-K1334 PolarHBondContact O-N 3.47Å; V1331-K1334 PolarHBondContact O-N 2.93Å; E1332-K1334 VanDerWaalsContact C-N 3.27Å; E1332-K1334 PolarHBondContact O-N 2.85Å; K1334-L1337 PolarHBondContact O-N 2.99Å; K1334-Q1338 PolarHBondContact O-N 2.82Å; K1334-Q1338 VanDerWaalsContact O-N 3.09Å
1335L83Confident83.6Confident29 Ų2943.1 Ų43.115%0.15220%0.204CC..Hα-helixtrans-68.9-34.1-175.7-65.8175.5000112.1P971 F1292 V1331 E1332 Q1338 A1339P971-L1335 HydrophobicContact CG-CD1 4.17Å; F1292-L1335 HydrophobicContact CB-CD1 3.75Å; F1292-L1335 HydrophobicContact CD1-CB 3.72Å; F1292-L1335 HydrophobicContact CD1-CD1 4.04Å; F1292-L1335 HydrophobicContact CD1-CG 4.44Å; F1292-L1335 HydrophobicContact CD2-CB 4.07Å; F1292-L1335 HydrophobicContact CD2-CD1 3.96Å; F1292-L1335 HydrophobicContact CE1-CB 3.51Å; F1292-L1335 HydrophobicContact CE2-CB 3.88Å; F1292-L1335 HydrophobicContact CG-CB 3.99Å; F1292-L1335 HydrophobicContact CG-CD1 3.64Å; F1292-L1335 HydrophobicContact CG-CG 4.44Å; F1292-L1335 HydrophobicContact CZ-CB 3.58Å; V1331-L1335 HydrophobicContact CG1-CD1 3.72Å; V1331-L1335 HydrophobicContact CG1-CG 4.43Å; V1331-L1335 WeakPolarHBondContact O-CG 3.45Å; V1331-L1335 PolarHBondContact O-N 3Å; E1332-L1335 PolarHBondContact O-N 3.07Å; L1335-Q1338 CarbonylContact O-C 3.52Å; L1335-Q1338 WeakPolarHBondContact O-CB 3.48Å; L1335-Q1338 PolarHBondContact O-N 2.98Å; L1335-A1339 WeakPolarHBondContact O-CB 3.33Å; L1335-A1339 PolarHBondContact O-N 3.33Å
1336S89.2Confident83.8Confident0 Ų042.7 Ų42.70%020%0.201CC..Hα-helixtrans-69.2-37172.764.80000113.1V1311 W1324 E1332 Q1333 Q1338 A1339 A1340V1311-S1336 VanDerWaalsContact CG1-CB 3.4Å; W1324-S1336 PolarHBondContact NE1-OG 3.47Å; E1332-S1336 WeakPolarHBondContact O-CB 3.31Å; E1332-S1336 PolarHBondContact O-N 2.78Å; E1332-S1336 PolarHBondContact O-OG 3.32Å; Q1333-S1336 PolarHBondContact O-OG 3.44Å; S1336-Q1338 PolarHBondContact O-N 3.06Å; S1336-A1339 CarbonylContact O-C 2.96Å; S1336-A1339 WeakPolarHBondContact O-CA 3.37Å; S1336-A1339 WeakPolarHBondContact O-CB 3.38Å; S1336-A1339 PolarHBondContact O-N 3.42Å; S1336-A1340 WeakPolarHBondContact O-CB 3.35Å; S1336-A1340 PolarHBondContact O-N 3.18Å
1337L87.3Confident84.4Confident55 Ų5532.9 Ų32.929%0.28816%0.159SC..Hα-helixtrans-65.9-30.2172.6-175.661000112.3L1322 Q1333 K1334 K1341 L1358L1322-L1337 HydrophobicContact CD1-CB 4.23Å; L1322-L1337 HydrophobicContact CD1-CD1 4.12Å; Q1333-L1337 WeakPolarHBondContact O-CB 3.23Å; Q1333-L1337 PolarHBondContact O-N 3.49Å; K1334-L1337 PolarHBondContact O-N 2.99Å; L1337-K1341 HydrophobicContact CD1-CG 4.4Å; L1337-K1341 WeakPolarHBondContact O-CD 3.45Å; L1337-K1341 WeakPolarHBondContact O-CG 3.39Å; L1337-L1358 HydrophobicContact CD1-CD2 4.08Å
1338Q82.8Confident84.7Confident44 Ų4432.3 Ų32.321%0.20616%0.156CC..Hα-helixtrans-69.8-42165.5-71.4-175.3-31.700111.2D476 V480 K1334 L1335 S1336 A1340 L1342D476-Q1338 HydrophobicContact CB-CG 4.38Å; V480-Q1338 HydrophobicContact CG1-CB 4.31Å; K1334-Q1338 PolarHBondContact O-N 2.82Å; K1334-Q1338 VanDerWaalsContact O-N 3.09Å; L1335-Q1338 CarbonylContact O-C 3.52Å; L1335-Q1338 WeakPolarHBondContact O-CB 3.48Å; L1335-Q1338 PolarHBondContact O-N 2.98Å; S1336-Q1338 PolarHBondContact O-N 3.06Å; Q1338-A1340 PolarHBondContact O-N 3.48Å; Q1338-L1342 WeakPolarHBondContact O-CB 3.4Å; Q1338-L1342 WeakPolarHBondContact O-CD2 3.42Å
1339A88.1Confident85Confident0 Ų035.9 Ų35.90%017%0.173CC..Hα-helixtrans-64.2-30.817900000115.2L975 L978 L1285 L1335 S1336 L1342 Y1343L975-A1339 HydrophobicContact CD1-CB 3.84Å; L978-A1339 HydrophobicContact CD1-CB 3.96Å; L1285-A1339 HydrophobicContact CD1-CB 3.88Å; L1335-A1339 WeakPolarHBondContact O-CB 3.33Å; L1335-A1339 PolarHBondContact O-N 3.33Å; S1336-A1339 CarbonylContact O-C 2.96Å; S1336-A1339 WeakPolarHBondContact O-CA 3.37Å; S1336-A1339 WeakPolarHBondContact O-CB 3.38Å; S1336-A1339 PolarHBondContact O-N 3.42Å; A1339-L1342 WeakPolarHBondContact O-CB 3.32Å; A1339-Y1343 WeakPolarHBondContact O-CB 3.48Å; A1339-Y1343 PolarHBondContact O-N 2.86Å; A1339-Y1343 VanDerWaalsContact O-N 3.15Å
1340A89.8Confident85.3Confident0 Ų038.5 Ų38.50%018%0.182CC..Hα-helixtrans-95.7-40.6-167.200000116.8L1313 I1320 L1322 S1336 Q1338 L1342 Q1344 L1358L1313-A1340 HydrophobicContact CD1-CB 3.66Å; L1313-A1340 HydrophobicContact CG-CB 4.29Å; I1320-A1340 HydrophobicContact CG2-CB 4.22Å; L1322-A1340 HydrophobicContact CD1-CB 3.7Å; L1322-A1340 HydrophobicContact CD2-CB 3.64Å; L1322-A1340 HydrophobicContact CG-CB 3.54Å; S1336-A1340 WeakPolarHBondContact O-CB 3.35Å; S1336-A1340 PolarHBondContact O-N 3.18Å; Q1338-A1340 PolarHBondContact O-N 3.48Å; A1340-L1342 PolarHBondContact O-N 3.38Å; A1340-Q1344 WeakPolarHBondContact O-CB 2.9Å; A1340-Q1344 PolarHBondContact O-N 2.85Å; A1340-L1358 HydrophobicContact CB-CD1 3.5Å
1341K87.6Confident85.8Confident20 Ų2036.7 Ų36.79%0.08717%0.171CC..Hα-helixtrans-56.4-13.4167.9-59.7163.6-177.8154.50112.6D476 S477 L1337 Q1344 S1345 L1358D476-K1341 HydrophobicContact CB-CD 4.04Å; D476-K1341 IonicContact OD2-NZ 3.72Å; D476-K1341 PolarHBondContact OD2-NZ 3.45Å; S477-K1341 WeakPolarHBondContact CB-O 3.49Å; S477-K1341 WeakPolarHBondContact OG-CB 3.46Å; S477-K1341 PolarHBondContact OG-O 2.95Å; L1337-K1341 HydrophobicContact CD1-CG 4.4Å; L1337-K1341 WeakPolarHBondContact O-CD 3.45Å; L1337-K1341 WeakPolarHBondContact O-CG 3.39Å; K1341-Q1344 WeakPolarHBondContact O-CB 3.06Å; K1341-S1345 PolarHBondContact O-N 2.85Å; K1341-L1358 HydrophobicContact CB-CD2 4.16Å; K1341-L1358 HydrophobicContact CG-CD2 3.38Å
1342L87.6Confident86.3Confident0 Ų039.1 Ų39.10%019%0.187CC..Hα-helixtrans-105.1-53.3-160.1162.158000110.7K415 S477 V480 L481 Q1338 A1339 A1340 Q1344 S1345 H1346K415-L1342 HydrophobicContact CB-CD1 3.11Å; K415-L1342 HydrophobicContact CB-CG 4.48Å; K415-L1342 HydrophobicContact CG-CD1 4.47Å; S477-L1342 WeakPolarHBondContact OG-CA 3.28Å; S477-L1342 VanDerWaalsContact OG-CB 3.29Å; S477-L1342 WeakPolarHBondContact OG-CB 3.34Å; S477-L1342 PolarHBondContact OG-N 2.73Å; S477-L1342 VanDerWaalsContact OG-N 3.11Å; V480-L1342 HydrophobicContact CB-CD1 4.18Å; V480-L1342 HydrophobicContact CB-CD2 3.53Å; V480-L1342 HydrophobicContact CB-CG 4.42Å; V480-L1342 HydrophobicContact CG1-CD2 3.38Å; L481-L1342 HydrophobicContact CB-CD1 3.56Å; L481-L1342 HydrophobicContact CB-CD2 3.9Å; L481-L1342 HydrophobicContact CB-CG 3.79Å; L481-L1342 HydrophobicContact CD1-CD1 4.14Å; L481-L1342 HydrophobicContact CD1-CD2 4.13Å; L481-L1342 HydrophobicContact CD1-CG 3.65Å; L481-L1342 HydrophobicContact CG-CD1 3.89Å; L481-L1342 HydrophobicContact CG-CD2 3.48Å; L481-L1342 VanDerWaalsContact CG-CD2 3.48Å; L481-L1342 HydrophobicContact CG-CG 3.5Å; L481-L1342 VanDerWaalsContact CG-CG 3.5Å; Q1338-L1342 WeakPolarHBondContact O-CB 3.4Å; Q1338-L1342 WeakPolarHBondContact O-CD2 3.42Å; A1339-L1342 WeakPolarHBondContact O-CB 3.32Å; A1340-L1342 PolarHBondContact O-N 3.38Å; L1342-Q1344 PolarHBondContact O-N 3.27Å; L1342-S1345 CarbonylContact O-C 3.13Å; L1342-S1345 WeakPolarHBondContact O-CA 3.22Å; L1342-S1345 WeakPolarHBondContact O-CB 3.24Å; L1342-S1345 PolarHBondContact O-N 3.08Å; L1342-H1346 PolarHBondContact O-N 3.31Å
1343Y91.2Very high86.6Confident0 Ų044.8 Ų44.80%022%0.218CC..Hα-helixtrans-50-40.6158.7-179.8-100.2000111.1L978 R1281 F1283 L1313 D1315 I1320 A1339 S1345 H1346 L1347L978-Y1343 HydrophobicContact CB-CD2 3.98Å; L978-Y1343 HydrophobicContact CD2-CD2 3.85Å; L978-Y1343 HydrophobicContact CD2-CE2 4.38Å; L978-Y1343 HydrophobicContact CD2-CG 4.22Å; L978-Y1343 HydrophobicContact CG-CD2 4.46Å; L978-Y1343 WeakPolarHBondContact O-CD2 3.45Å; L978-Y1343 WeakPolarHBondContact O-CE2 3.45Å; R1281-Y1343 WeakPolarHBondContact CD-OH 3.49Å; F1283-Y1343 HydrophobicContact CE2-CE1 4.43Å; F1283-Y1343 AromaticContact CE2-CE2 3.85Å; F1283-Y1343 HydrophobicContact CE2-CE2 3.85Å; F1283-Y1343 AromaticContact CE2-CZ 3.81Å; F1283-Y1343 AromaticContact CZ-CE2 3.77Å; F1283-Y1343 HydrophobicContact CZ-CE2 3.77Å; L1313-Y1343 HydrophobicContact CD2-CD1 3.82Å; L1313-Y1343 HydrophobicContact CD2-CE1 4.15Å; L1313-Y1343 HydrophobicContact CD2-CG 4.29Å; D1315-Y1343 HydrophobicContact CB-CE1 3.82Å; I1320-Y1343 HydrophobicContact CD1-CD1 3.58Å; I1320-Y1343 HydrophobicContact CD1-CE1 4.05Å; I1320-Y1343 HydrophobicContact CG1-CD1 3.86Å; I1320-Y1343 HydrophobicContact CG1-CE1 4.02Å; I1320-Y1343 HydrophobicContact CG2-CD1 4.29Å; A1339-Y1343 WeakPolarHBondContact O-CB 3.48Å; A1339-Y1343 PolarHBondContact O-N 2.86Å; A1339-Y1343 VanDerWaalsContact O-N 3.15Å; Y1343-S1345 VanDerWaalsContact C-N 3.33Å; Y1343-S1345 PolarHBondContact O-N 3.39Å; Y1343-H1346 PolarHBondContact O-N 2.89Å; Y1343-H1346 VanDerWaalsContact O-N 3.09Å; Y1343-L1347 HydrophobicContact CD1-CD1 3.99Å; Y1343-L1347 HydrophobicContact CE1-CD1 3.29Å; Y1343-L1347 HydrophobicContact CE1-CG 4.16Å; Y1343-L1347 HydrophobicContact CE2-CD1 4.42Å; Y1343-L1347 PolarHBondContact O-N 2.85Å
1344Q91.1Very high86.7Confident56 Ų5644.8 Ų44.826%0.26222%0.216SC..Hα-helixtrans-56.4-40.3169.2-173.1-166.41700113.3I1320 A1340 K1341 L1342 R1348 R1356I1320-Q1344 HydrophobicContact CD1-CB 3.43Å; I1320-Q1344 VanDerWaalsContact CD1-CB 3.43Å; I1320-Q1344 HydrophobicContact CD1-CG 3.98Å; A1340-Q1344 WeakPolarHBondContact O-CB 2.9Å; A1340-Q1344 PolarHBondContact O-N 2.85Å; K1341-Q1344 WeakPolarHBondContact O-CB 3.06Å; L1342-Q1344 PolarHBondContact O-N 3.27Å; Q1344-R1348 WeakPolarHBondContact O-CB 3.41Å; Q1344-R1348 PolarHBondContact O-N 2.68Å; Q1344-R1356 HydrophobicContact CG-CB 4.2Å; Q1344-R1356 WeakPolarHBondContact CG-O 3.31Å; Q1344-R1356 PolarHBondContact NE2-O 2.88Å
1345S84.7Confident87Confident2 Ų244.7 Ų44.71%0.01422%0.224CC..Hα-helixtrans-74.5-29.1175.2-168.70000112.9K415 P417 K1341 L1342 Y1343 R1348K415-S1345 WeakPolarHBondContact O-CB 3.5Å; K415-S1345 PolarHBondContact O-OG 3.46Å; P417-S1345 WeakPolarHBondContact CG-O 3.21Å; K1341-S1345 PolarHBondContact O-N 2.85Å; L1342-S1345 CarbonylContact O-C 3.13Å; L1342-S1345 WeakPolarHBondContact O-CA 3.22Å; L1342-S1345 WeakPolarHBondContact O-CB 3.24Å; L1342-S1345 PolarHBondContact O-N 3.08Å; Y1343-S1345 VanDerWaalsContact C-N 3.33Å; Y1343-S1345 PolarHBondContact O-N 3.39Å; S1345-R1348 PolarHBondContact O-N 2.89Å; S1345-R1348 PolarHBondContact OG-NH2 3.18Å
1346H89.3Confident87.4Confident8 Ų843.9 Ų43.94%0.03722%0.219CC..Hα-helixtrans-63-55.8174.1172.861.1000111.3P417 E418 L979 L1342 Y1343 R1348 Q1349 M1350P417-H1346 HydrophobicContact CB-CB 4.1Å; P417-H1346 WeakPolarHBondContact CB-ND1 3.27Å; P417-H1346 HydrophobicContact CG-CB 4.48Å; E418-H1346 PolarHBondContact N-ND1 3.16Å; L979-H1346 HydrophobicContact CD2-CB 4.41Å; L979-H1346 PolarHBondContact O-NE2 3.43Å; L1342-H1346 PolarHBondContact O-N 3.31Å; Y1343-H1346 PolarHBondContact O-N 2.89Å; Y1343-H1346 VanDerWaalsContact O-N 3.09Å; H1346-R1348 PolarHBondContact O-N 3.03Å; H1346-Q1349 PolarHBondContact O-N 3.21Å; H1346-M1350 VanDerWaalsContact CE1-CG 3.44Å; H1346-M1350 WeakPolarHBondContact CE1-CG 3.25Å; H1346-M1350 PolarHBondContact O-N 3.3Å
1347L88.7Confident87.5Confident11 Ų1149 Ų496%0.05824%0.243CC..Hα-helixtrans-59.2-30.3175.9-66.5174.7000113D1315 I1320 Y1343 Q1349 M1350 Q1351 R1356D1315-L1347 WeakPolarHBondContact OD2-CD1 3.37Å; I1320-L1347 HydrophobicContact CD1-CD1 4.34Å; Y1343-L1347 HydrophobicContact CD1-CD1 3.99Å; Y1343-L1347 HydrophobicContact CE1-CD1 3.29Å; Y1343-L1347 HydrophobicContact CE1-CG 4.16Å; Y1343-L1347 HydrophobicContact CE2-CD1 4.42Å; Y1343-L1347 PolarHBondContact O-N 2.85Å; L1347-Q1349 VanDerWaalsContact C-N 3.28Å; L1347-Q1349 PolarHBondContact O-N 3.44Å; L1347-M1350 PolarHBondContact O-N 2.96Å; L1347-Q1351 CarbonylContact O-C 2.96Å; L1347-Q1351 WeakPolarHBondContact O-CA 3.27Å; L1347-Q1351 PolarHBondContact O-N 3.28Å; L1347-R1356 HydrophobicContact CB-CG 4.19Å; L1347-R1356 HydrophobicContact CD1-CG 3.75Å
1348R88.2Confident87.8Confident131 Ų13148.4 Ų48.449%0.49424%0.24SC..Hα-helixtrans-65.9-20.9175.6-179.4178.158.2173.5-7.7114.6Q1344 S1345 H1346 P1352Q1344-R1348 WeakPolarHBondContact O-CB 3.41Å; Q1344-R1348 PolarHBondContact O-N 2.68Å; S1345-R1348 PolarHBondContact O-N 2.89Å; S1345-R1348 PolarHBondContact OG-NH2 3.18Å; H1346-R1348 PolarHBondContact O-N 3.03Å; R1348-P1352 WeakPolarHBondContact O-CA 3.23Å
1349Q83.8Confident88.4Confident80 Ų8049.8 Ų49.837%0.37425%0.246SC..Hα-helixtrans-95.7-34.3169.6-72.5-171.2-19.100113P417 H1346 L1347P417-Q1349 HydrophobicContact CB-CB 4.19Å; P417-Q1349 HydrophobicContact CG-CB 3.75Å; P417-Q1349 HydrophobicContact CG-CG 3.69Å; H1346-Q1349 PolarHBondContact O-N 3.21Å; L1347-Q1349 VanDerWaalsContact C-N 3.28Å; L1347-Q1349 PolarHBondContact O-N 3.44Å
1350M84.7Confident88.6Confident91 Ų9154.5 Ų54.545%0.44827%0.27SS..Hα-helixtrans-76.5-28.7179.4-58.7-55.1-72.800113.1H1346 L1347H1346-M1350 VanDerWaalsContact CE1-CG 3.44Å; H1346-M1350 WeakPolarHBondContact CE1-CG 3.25Å; H1346-M1350 PolarHBondContact O-N 3.3Å; L1347-M1350 PolarHBondContact O-N 2.96Å
1351Q86Confident88.7Confident52 Ų5254.8 Ų54.824%0.24327%0.272CS..  trans-137.266.9-179.8-64.2-179.2-11.800109.7L1347 D1353 R1354 R1356L1347-Q1351 CarbonylContact O-C 2.96Å; L1347-Q1351 WeakPolarHBondContact O-CA 3.27Å; L1347-Q1351 PolarHBondContact O-N 3.28Å; Q1351-D1353 WeakPolarHBondContact CA-OD1 3.31Å; Q1351-D1353 PolarHBondContact O-N 3.03Å; Q1351-R1354 HydrophobicContact CB-CB 4.29Å; Q1351-R1354 CarbonylContact O-C 3.58Å; Q1351-R1354 PolarHBondContact O-N 3.39Å; Q1351-R1356 VanDerWaalsContact OE1-CZ 3.32Å
1352P84.5Confident88.9Confident93 Ų9357 Ų5760%0.60429%0.287SS*.THydrogen-bonded Turntrans-68-21.2-174.929.9-36000113.4R1348 R1354R1348-P1352 WeakPolarHBondContact O-CA 3.23Å; P1352-R1354 VanDerWaalsContact C-N 3.3Å
1353D88Confident88.9Confident125 Ų12558.6 Ų58.667%0.66829%0.294SS*.THydrogen-bonded Turntrans-67.4-26.2170.262.5-56.4000113.1Q1351 P1355Q1351-D1353 WeakPolarHBondContact CA-OD1 3.31Å; Q1351-D1353 PolarHBondContact O-N 3.03Å; D1353-P1355 VanDerWaalsContact O-CD 3.26Å; D1353-P1355 WeakPolarHBondContact O-CD 3.18Å
1354R85.8Confident88.7Confident53 Ų5363.7 Ų63.720%0.232%0.321CS..SBendtrans-124.560.3-168.2-159.4173.9174.4106.817.9113D1275 G1317 Q1351 P1352 R1356D1275-R1354 VanDerWaalsContact CB-NH2 3.25Å; D1275-R1354 IonicContact OD2-CZ 3.42Å; D1275-R1354 IonicContact OD2-NH1 3.31Å; D1275-R1354 PolarHBondContact OD2-NH1 2.85Å; D1275-R1354 IonicContact OD2-NH2 3.54Å; D1275-R1354 PolarHBondContact OD2-NH2 3.04Å; G1317-R1354 WeakPolarHBondContact O-CG 3.17Å; G1317-R1354 PolarHBondContact O-NE 2.9Å; G1317-R1354 PolarHBondContact O-NH2 3.27Å; Q1351-R1354 HydrophobicContact CB-CB 4.29Å; Q1351-R1354 CarbonylContact O-C 3.58Å; Q1351-R1354 PolarHBondContact O-N 3.39Å; P1352-R1354 VanDerWaalsContact C-N 3.3Å; R1354-R1356 PolarHBondContact O-N 3.29Å; R1354-R1356 PolarHBondContact O-NH1 3.08Å
1355P86.3Confident88.5Confident89 Ų8964.1 Ų64.158%0.57833%0.334SS*.PPolyproline II helixtrans-65.4124.3-173.327.6-36000112.6D1353D1353-P1355 VanDerWaalsContact O-CD 3.26Å; D1353-P1355 WeakPolarHBondContact O-CD 3.18Å
1356R90.8Very high88.9Confident11 Ų1164.3 Ų64.34%0.04234%0.335CS..PPolyproline II helixtrans-78.6142.2179.3-52.5-55-160.2-91.5-6.3112.5D1315 G1317 S1318 I1320 Q1344 L1347 Q1351 R1354D1315-R1356 VanDerWaalsContact CG-NE 3.32Å; D1315-R1356 WeakPolarHBondContact OD1-CD 3.22Å; D1315-R1356 IonicContact OD1-CZ 2.91Å; D1315-R1356 IonicContact OD1-NE 3.53Å; D1315-R1356 PolarHBondContact OD1-NE 2.76Å; D1315-R1356 IonicContact OD2-CZ 2.82Å; D1315-R1356 VanDerWaalsContact OD2-CZ 3.26Å; D1315-R1356 IonicContact OD2-NE 2.66Å; D1315-R1356 PolarHBondContact OD2-NE 3.47Å; D1315-R1356 IonicContact OD2-NH2 3.5Å; D1315-R1356 PolarHBondContact OD2-NH2 2.97Å; G1317-R1356 VanDerWaalsContact C-CD 3.43Å; G1317-R1356 VanDerWaalsContact C-NE 3.26Å; G1317-R1356 WeakPolarHBondContact O-CD 3.24Å; G1317-R1356 PolarHBondContact O-NE 3.44Å; S1318-R1356 WeakPolarHBondContact O-CA 3.45Å; I1320-R1356 HydrophobicContact CD1-CB 3.57Å; I1320-R1356 HydrophobicContact CD1-CG 3.88Å; I1320-R1356 HydrophobicContact CG1-CB 3.98Å; I1320-R1356 HydrophobicContact CG1-CG 4.21Å; Q1344-R1356 HydrophobicContact CG-CB 4.2Å; Q1344-R1356 WeakPolarHBondContact CG-O 3.31Å; Q1344-R1356 PolarHBondContact NE2-O 2.88Å; L1347-R1356 HydrophobicContact CB-CG 4.19Å; L1347-R1356 HydrophobicContact CD1-CG 3.75Å; Q1351-R1356 VanDerWaalsContact OE1-CZ 3.32Å; R1354-R1356 PolarHBondContact O-N 3.29Å; R1354-R1356 PolarHBondContact O-NH1 3.08Å
1357Q92Very high89Confident107 Ų10766.4 Ų66.450%0.535%0.349SS..EExtended strand (participates in β ladder)trans-96.4123.3166.8-59.9-174.613.100111.1S1318 Q1319 I1320S1318-Q1357 PolarHBondContact O-N 2.87Å; Q1319-Q1357 CarbonylContact C-O 3.59Å; Q1319-Q1357 WeakPolarHBondContact CA-O 3.38Å; Q1319-Q1357 HydrophobicContact CG-CB 4.39Å; I1320-Q1357 PolarHBondContact N-O 3.37Å
1358L93Very high89Confident44 Ų4469.1 Ų69.123%0.2336%0.361CS..EExtended strand (participates in β ladder)trans-68.5138.7169.3-173.968.6000111.2I1320 L1337 A1340 K1341I1320-L1358 HydrophobicContact CB-CD1 4.13Å; I1320-L1358 HydrophobicContact CG2-CD1 3.84Å; I1320-L1358 CarbonylContact O-C 3.56Å; I1320-L1358 WeakPolarHBondContact O-CA 3.29Å; L1337-L1358 HydrophobicContact CD1-CD2 4.08Å; A1340-L1358 HydrophobicContact CB-CD1 3.5Å; K1341-L1358 HydrophobicContact CB-CD2 4.16Å; K1341-L1358 HydrophobicContact CG-CD2 3.38Å
1359K94.7Very high89Confident73 Ų7365.7 Ų65.732%0.31735%0.352SS..EExtended strand (participates in β ladder)trans-134.8153.4174.7-58.1-64175.8-170.20109.5Q1319 I1320 Y1321 L1322Q1319-K1359 HydrophobicContact CB-CG 4.26Å; I1320-K1359 PolarHBondContact O-N 3.16Å; Y1321-K1359 WeakPolarHBondContact CA-O 3.34Å; Y1321-K1359 HydrophobicContact CD1-CB 3.48Å; Y1321-K1359 VanDerWaalsContact CD1-CB 3.48Å; Y1321-K1359 HydrophobicContact CD1-CG 4.29Å; Y1321-K1359 HydrophobicContact CE1-CB 3.45Å; Y1321-K1359 VanDerWaalsContact CE1-CB 3.45Å; Y1321-K1359 HydrophobicContact CE1-CG 3.88Å; Y1321-K1359 HydrophobicContact CG-CB 4.16Å; L1322-K1359 PolarHBondContact N-O 3.14Å
1360L92.6Very high89.4Confident98 Ų9861.9 Ų61.951%0.51334%0.335SS..EExtended strand (participates in β ladder)trans-110.8141.5165.5176.763.6000108.5L1322 W1324L1322-L1360 HydrophobicContact CB-CD1 3.95Å; W1324-L1360 HydrophobicContact CD2-CD1 3.49Å; W1324-L1360 VanDerWaalsContact CD2-CD1 3.49Å; W1324-L1360 HydrophobicContact CE3-CD1 3.7Å; W1324-L1360 HydrophobicContact CE3-CD2 3.99Å; W1324-L1360 HydrophobicContact CE3-CG 4.45Å; W1324-L1360 HydrophobicContact CG-CD1 3.97Å; W1324-L1360 HydrophobicContact CH2-CD1 4.14Å; W1324-L1360 HydrophobicContact CH2-CD2 4.03Å; W1324-L1360 HydrophobicContact CZ2-CD1 3.95Å; W1324-L1360 HydrophobicContact CZ3-CD1 4.03Å; W1324-L1360 HydrophobicContact CZ3-CD2 3.68Å
1361T92.9Very high89.7Confident7 Ų761.5 Ų61.54%0.04333%0.328CS..EExtended strand (participates in β ladder)trans-137.5160.4168.1-175.80000109.6Y1321 L1322 W1323 W1324 E1366 F1370Y1321-T1361 HydrophobicContact CD1-CG2 3.89Å; L1322-T1361 WeakPolarHBondContact O-CG2 3.35Å; L1322-T1361 PolarHBondContact O-N 2.91Å; W1323-T1361 WeakPolarHBondContact CA-O 3.4Å; W1323-T1361 HydrophobicContact CB-CG2 3.82Å; W1323-T1361 HydrophobicContact CG-CG2 4.15Å; W1324-T1361 PolarHBondContact N-O 3.02Å; W1324-T1361 VanDerWaalsContact N-O 3.08Å; T1361-E1366 VanDerWaalsContact OG1-CA 3.31Å; T1361-E1366 WeakPolarHBondContact OG1-CA 3.47Å; T1361-F1370 HydrophobicContact CG2-CD2 4.09Å; T1361-F1370 HydrophobicContact CG2-CE2 4.11Å; T1361-F1370 HydrophobicContact CG2-CG 4.42Å; T1361-F1370 HydrophobicContact CG2-CZ 4.45Å
1362V90.2Very high89.8Confident65 Ų6560.6 Ų60.639%0.39432%0.324SS..EExtended strand (participates in β ladder)trans-125.9158.5174-58.20000111.1W1324 N1364 A1365W1324-V1362 HydrophobicContact CB-CG1 4.38Å; W1324-V1362 CarbonylContact O-C 3.37Å; W1324-V1362 WeakPolarHBondContact O-CA 3.22Å; V1362-N1364 PolarHBondContact O-N 2.73Å; V1362-A1365 HydrophobicContact CG2-CB 3.6Å; V1362-A1365 PolarHBondContact O-N 3.13Å
1363K88.7Confident90.1Very high35 Ų3556.3 Ų56.315%0.15230%0.296CS..THydrogen-bonded Turntrans-47.5129.8176-174.9172.9-169.4-167.50111.1W1323 W1324 A1365 E1366 Y1380 E1382W1323-K1363 HydrophobicContact CH2-CB 4.18Å; W1323-K1363 HydrophobicContact CH2-CD 4.3Å; W1323-K1363 HydrophobicContact CH2-CG 4.33Å; W1323-K1363 HydrophobicContact CZ2-CB 3.52Å; W1323-K1363 HydrophobicContact CZ2-CD 4.13Å; W1323-K1363 HydrophobicContact CZ2-CG 3.69Å; W1324-K1363 PolarHBondContact O-N 2.96Å; K1363-A1365 PolarHBondContact O-N 3.35Å; K1363-E1366 WeakPolarHBondContact CA-OE1 3.08Å; K1363-Y1380 HydrophobicContact CD-CD2 4.46Å; K1363-Y1380 HydrophobicContact CG-CD2 4.12Å; K1363-Y1380 HydrophobicContact CG-CE2 4.02Å; K1363-E1382 IonicContact NZ-OE1 2.73Å; K1363-E1382 PolarHBondContact NZ-OE1 3.24Å
1364N86.1Confident90.1Very high107 Ų10750.5 Ų50.557%0.57227%0.265SS*.THydrogen-bonded Turntrans71.2-2.8-177.1-51.7-31.9000116V1362 E1366 R1371V1362-N1364 PolarHBondContact O-N 2.73Å; N1364-E1366 VanDerWaalsContact C-OE2 3.28Å; N1364-E1366 VanDerWaalsContact CA-OE2 3.28Å; N1364-E1366 WeakPolarHBondContact CA-OE2 3.49Å; N1364-E1366 VanDerWaalsContact N-CD 3.33Å; N1364-E1366 PolarHBondContact N-OE1 2.89Å; N1364-E1366 PolarHBondContact N-OE2 2.77Å; N1364-R1371 PolarHBondContact O-NH2 2.58Å
1365A88.5Confident90.1Very high64 Ų6448 Ų4853%0.52926%0.255SS..  trans-110.519177.800000113.4V1362 K1363V1362-A1365 HydrophobicContact CG2-CB 3.6Å; V1362-A1365 PolarHBondContact O-N 3.13Å; K1363-A1365 PolarHBondContact O-N 3.35Å
1366E91.5Very high89.8Confident7 Ų744.3 Ų44.33%0.03323%0.233CC..  trans-72.3132.7-170-47.484.3170.900113.3W1323 T1361 K1363 N1364 F1370 R1371 W1377W1323-E1366 PolarHBondContact NE1-OE1 3.28Å; T1361-E1366 VanDerWaalsContact OG1-CA 3.31Å; T1361-E1366 WeakPolarHBondContact OG1-CA 3.47Å; K1363-E1366 WeakPolarHBondContact CA-OE1 3.08Å; N1364-E1366 VanDerWaalsContact C-OE2 3.28Å; N1364-E1366 VanDerWaalsContact CA-OE2 3.28Å; N1364-E1366 WeakPolarHBondContact CA-OE2 3.49Å; N1364-E1366 VanDerWaalsContact N-CD 3.33Å; N1364-E1366 PolarHBondContact N-OE1 2.89Å; N1364-E1366 PolarHBondContact N-OE2 2.77Å; E1366-F1370 HydrophobicContact CB-CB 4.46Å; E1366-F1370 HydrophobicContact CB-CD1 3.63Å; E1366-F1370 HydrophobicContact CB-CE1 4.23Å; E1366-F1370 HydrophobicContact CB-CG 4.32Å; E1366-F1370 HydrophobicContact CG-CD1 3.76Å; E1366-F1370 HydrophobicContact CG-CE1 3.82Å; E1366-R1371 HydrophobicContact CB-CG 3.88Å; E1366-R1371 PolarHBondContact O-NE 2.86Å; E1366-R1371 VanDerWaalsContact O-NE 3.17Å; E1366-R1371 PolarHBondContact O-NH1 2.76Å; E1366-R1371 PolarHBondContact O-NH2 3.39Å; E1366-R1371 IonicContact OE2-CZ 3.6Å; E1366-R1371 IonicContact OE2-NE 3.58Å; E1366-R1371 PolarHBondContact OE2-NE 2.9Å; E1366-R1371 IonicContact OE2-NH2 3.85Å; E1366-R1371 PolarHBondContact OE2-NH2 2.95Å; E1366-W1377 HydrophobicContact CB-CH2 4.3Å; E1366-W1377 HydrophobicContact CB-CZ2 4.33Å; E1366-W1377 HydrophobicContact CG-CH2 3.82Å; E1366-W1377 HydrophobicContact CG-CZ2 4.05Å
1367P92.1Very high89.6Confident51 Ų5146.6 Ų46.633%0.33124%0.242SC..  trans-74.6159176.731.5-35.3000111.5Y1321 L1369 F1370 R1371Y1321-P1367 HydrophobicContact CE1-CG 3.48Å; Y1321-P1367 VanDerWaalsContact CE1-CG 3.48Å; Y1321-P1367 WeakPolarHBondContact OH-CG 3.31Å; P1367-L1369 VanDerWaalsContact C-N 3.27Å; P1367-L1369 PolarHBondContact O-N 2.91Å; P1367-F1370 HydrophobicContact CG-CB 4.12Å; P1367-F1370 WeakPolarHBondContact O-CB 3.2Å; P1367-F1370 PolarHBondContact O-N 2.86Å; P1367-R1371 PolarHBondContact O-N 3.47Å; P1367-R1371 VanDerWaalsContact O-N 3.09Å
1368H88.1Confident89Confident68 Ų6842.7 Ų42.732%0.31523%0.23SC..Hα-helixtrans-49.4-44.8178-177.165.5000113.5V1187 D1271 F1370 R1371 Q1372V1187-H1368 PolarHBondContact O-CE1 3.43Å; D1271-H1368 IonicContact OD2-CD2 2.76Å; D1271-H1368 PolarHBondContact OD2-CD2 3.02Å; D1271-H1368 IonicContact OD2-CE1 3.06Å; D1271-H1368 IonicContact OD2-NE2 2.81Å; D1271-H1368 PolarHBondContact OD2-NE2 3.27Å; H1368-F1370 PolarHBondContact O-N 2.71Å; H1368-F1370 VanDerWaalsContact O-N 3.15Å; H1368-R1371 PolarHBondContact O-N 3.06Å; H1368-R1371 VanDerWaalsContact O-N 3.08Å; H1368-Q1372 PolarHBondContact O-N 2.99Å
1369L89.1Confident88.2Confident59 Ų5944.7 Ų44.731%0.30925%0.246SC..Hα-helixtrans-63.9-18179.7-66.6176.5000114.9P1367 Q1372P1367-L1369 VanDerWaalsContact C-N 3.27Å; P1367-L1369 PolarHBondContact O-N 2.91Å; L1369-Q1372 PolarHBondContact O-NE2 2.95Å
1370F92.2Very high86.9Confident1 Ų142.8 Ų42.80%0.00424%0.237CC..Hα-helixtrans-86.7-50.1168.2179.9-92.2000110.2L1306 L1314 Y1321 W1323 T1361 E1366 P1367 H1368 Q1372 C1373 F1374 W1377L1306-F1370 HydrophobicContact CD1-CE1 3.86Å; L1306-F1370 HydrophobicContact CD1-CZ 3.96Å; L1306-F1370 HydrophobicContact CD2-CZ 4.22Å; L1314-F1370 HydrophobicContact CB-CD2 4.43Å; L1314-F1370 HydrophobicContact CB-CE2 3.99Å; L1314-F1370 HydrophobicContact CD2-CD2 3.46Å; L1314-F1370 VanDerWaalsContact CD2-CD2 3.46Å; L1314-F1370 HydrophobicContact CD2-CE2 3.65Å; L1314-F1370 HydrophobicContact CD2-CG 4.16Å; L1314-F1370 HydrophobicContact CD2-CZ 4.47Å; L1314-F1370 HydrophobicContact CG-CE2 4.49Å; Y1321-F1370 VanDerWaalsContact CB-CD2 3.49Å; Y1321-F1370 HydrophobicContact CD1-CB 4.42Å; Y1321-F1370 HydrophobicContact CD1-CD2 4.08Å; Y1321-F1370 HydrophobicContact CD2-CB 4.13Å; Y1321-F1370 AromaticContact CD2-CD2 3.8Å; Y1321-F1370 HydrophobicContact CD2-CD2 3.8Å; Y1321-F1370 HydrophobicContact CD2-CG 4.49Å; Y1321-F1370 HydrophobicContact CE1-CB 4.32Å; Y1321-F1370 HydrophobicContact CE2-CB 4Å; Y1321-F1370 HydrophobicContact CG-CB 4.32Å; Y1321-F1370 AromaticContact CG-CD2 3.53Å; Y1321-F1370 HydrophobicContact CG-CD2 3.53Å; Y1321-F1370 HydrophobicContact CG-CE2 4.32Å; Y1321-F1370 HydrophobicContact CG-CG 4.39Å; W1323-F1370 HydrophobicContact CB-CE2 4Å; W1323-F1370 HydrophobicContact CB-CZ 3.75Å; W1323-F1370 AromaticContact CD1-CE1 3.65Å; W1323-F1370 AromaticContact CD1-CZ 3.49Å; W1323-F1370 VanDerWaalsContact CD1-CZ 3.49Å; W1323-F1370 HydrophobicContact CG-CE1 4.38Å; W1323-F1370 HydrophobicContact CG-CE2 4.49Å; W1323-F1370 AromaticContact CG-CZ 3.79Å; W1323-F1370 HydrophobicContact CG-CZ 3.79Å; T1361-F1370 HydrophobicContact CG2-CD2 4.09Å; T1361-F1370 HydrophobicContact CG2-CE2 4.11Å; T1361-F1370 HydrophobicContact CG2-CG 4.42Å; T1361-F1370 HydrophobicContact CG2-CZ 4.45Å; E1366-F1370 HydrophobicContact CB-CB 4.46Å; E1366-F1370 HydrophobicContact CB-CD1 3.63Å; E1366-F1370 HydrophobicContact CB-CE1 4.23Å; E1366-F1370 HydrophobicContact CB-CG 4.32Å; E1366-F1370 HydrophobicContact CG-CD1 3.76Å; E1366-F1370 HydrophobicContact CG-CE1 3.82Å; P1367-F1370 HydrophobicContact CG-CB 4.12Å; P1367-F1370 WeakPolarHBondContact O-CB 3.2Å; P1367-F1370 PolarHBondContact O-N 2.86Å; H1368-F1370 PolarHBondContact O-N 2.71Å; H1368-F1370 VanDerWaalsContact O-N 3.15Å; F1370-Q1372 VanDerWaalsContact C-N 3.33Å; F1370-Q1372 PolarHBondContact O-N 3.41Å; F1370-C1373 WeakPolarHBondContact O-CB 3.49Å; F1370-C1373 PolarHBondContact O-N 3.33Å; F1370-C1373 VanDerWaalsContact O-N 3.12Å; F1370-F1374 HydrophobicContact CD1-CD2 4.34Å; F1370-F1374 AromaticContact CD1-CE2 3.66Å; F1370-F1374 HydrophobicContact CD1-CE2 3.66Å; F1370-F1374 HydrophobicContact CD2-CE2 4.33Å; F1370-F1374 HydrophobicContact CE1-CD2 4.25Å; F1370-F1374 AromaticContact CE1-CE2 3.37Å; F1370-F1374 HydrophobicContact CE1-CE2 3.37Å; F1370-F1374 AromaticContact CE1-CZ 3.88Å; F1370-F1374 HydrophobicContact CE1-CZ 3.88Å; F1370-F1374 HydrophobicContact CE2-CE2 4.09Å; F1370-F1374 HydrophobicContact CE2-CZ 4.22Å; F1370-F1374 HydrophobicContact CG-CE2 4.15Å; F1370-F1374 AromaticContact CZ-CE2 3.61Å; F1370-F1374 HydrophobicContact CZ-CE2 3.61Å; F1370-F1374 AromaticContact CZ-CZ 3.69Å; F1370-F1374 HydrophobicContact CZ-CZ 3.69Å; F1370-F1374 VanDerWaalsContact O-CD2 3.32Å; F1370-F1374 WeakPolarHBondContact O-CD2 3.29Å; F1370-F1374 WeakPolarHBondContact O-CE2 3.42Å; F1370-W1377 HydrophobicContact CD1-CH2 4.1Å; F1370-W1377 AromaticContact CD1-CZ3 3.92Å; F1370-W1377 HydrophobicContact CD1-CZ3 3.92Å; F1370-W1377 AromaticContact CE1-CH2 3.77Å; F1370-W1377 HydrophobicContact CE1-CH2 3.77Å; F1370-W1377 AromaticContact CE1-CZ3 3.66Å; F1370-W1377 HydrophobicContact CE1-CZ3 3.66Å
1371R90.1Very high85.5Confident82 Ų8241.6 Ų41.631%0.30923%0.229SC..Hα-helixtrans-60.5-38-174.6-65.5-173.2168.8150.63.7113.2N1364 E1366 P1367 H1368 C1373 F1374 W1377N1364-R1371 PolarHBondContact O-NH2 2.58Å; E1366-R1371 HydrophobicContact CB-CG 3.88Å; E1366-R1371 PolarHBondContact O-NE 2.86Å; E1366-R1371 VanDerWaalsContact O-NE 3.17Å; E1366-R1371 PolarHBondContact O-NH1 2.76Å; E1366-R1371 PolarHBondContact O-NH2 3.39Å; E1366-R1371 IonicContact OE2-CZ 3.6Å; E1366-R1371 IonicContact OE2-NE 3.58Å; E1366-R1371 PolarHBondContact OE2-NE 2.9Å; E1366-R1371 IonicContact OE2-NH2 3.85Å; E1366-R1371 PolarHBondContact OE2-NH2 2.95Å; P1367-R1371 PolarHBondContact O-N 3.47Å; P1367-R1371 VanDerWaalsContact O-N 3.09Å; H1368-R1371 PolarHBondContact O-N 3.06Å; H1368-R1371 VanDerWaalsContact O-N 3.08Å; R1371-C1373 PolarHBondContact O-N 3.27Å; R1371-F1374 PolarHBondContact O-N 2.89Å; R1371-W1377 HydrophobicContact CB-CB 4.47Å; R1371-W1377 HydrophobicContact CB-CD2 3.82Å; R1371-W1377 HydrophobicContact CB-CE3 4.06Å; R1371-W1377 HydrophobicContact CB-CG 3.94Å; R1371-W1377 HydrophobicContact CG-CD2 3.61Å; R1371-W1377 HydrophobicContact CG-CE3 3.95Å; R1371-W1377 HydrophobicContact CG-CG 4.06Å; R1371-W1377 HydrophobicContact CG-CH2 4.31Å; R1371-W1377 HydrophobicContact CG-CZ2 3.99Å; R1371-W1377 HydrophobicContact CG-CZ3 4.28Å
1372Q88.9Confident83.7Confident34 Ų3447.1 Ų47.116%0.15925%0.254CS..THydrogen-bonded Turntrans-58.7-26.3177.469175.5-9.800114.1R1169 F1276 H1368 L1369 F1370 F1374R1169-Q1372 PolarHBondContact NH1-O 3.14Å; F1276-Q1372 HydrophobicContact CD1-CG 4.04Å; F1276-Q1372 HydrophobicContact CE1-CB 4.29Å; F1276-Q1372 HydrophobicContact CE1-CG 3.9Å; H1368-Q1372 PolarHBondContact O-N 2.99Å; L1369-Q1372 PolarHBondContact O-NE2 2.95Å; F1370-Q1372 VanDerWaalsContact C-N 3.33Å; F1370-Q1372 PolarHBondContact O-N 3.41Å; Q1372-F1374 VanDerWaalsContact C-N 3.27Å; Q1372-F1374 PolarHBondContact O-N 3.31Å
1373C89.8Confident81.8Confident3 Ų347.8 Ų47.82%0.0226%0.26CS..THydrogen-bonded Turntrans-72.3-26-176.3-63.60000111.7R1169 L1314 T1316 F1370 R1371R1169-C1373 PolarHBondContact NH2-O 2.86Å; L1314-C1373 HydrophobicContact CD1-CB 4.3Å; L1314-C1373 HydrophobicContact CD2-CB 3.85Å; T1316-C1373 VanDerWaalsContact CG2-SG 3.56Å; F1370-C1373 WeakPolarHBondContact O-CB 3.49Å; F1370-C1373 PolarHBondContact O-N 3.33Å; F1370-C1373 VanDerWaalsContact O-N 3.12Å; R1371-C1373 PolarHBondContact O-N 3.27Å
1374F89.6Confident79.7Confident2 Ų253.9 Ų53.91%0.00929%0.286CS..SBendtrans-90.5141.6177.2-54.3-89000110.2L1282 F1301 C1302 Q1303 L1306 L1314 F1370 R1371 Q1372 W1377L1282-F1374 HydrophobicContact CD1-CE1 4.31Å; L1282-F1374 HydrophobicContact CD1-CZ 4.26Å; L1282-F1374 HydrophobicContact CD2-CE1 4.08Å; F1301-F1374 AromaticContact CD2-CD1 3.79Å; F1301-F1374 HydrophobicContact CD2-CD1 3.79Å; F1301-F1374 AromaticContact CD2-CE1 3.7Å; F1301-F1374 HydrophobicContact CD2-CE1 3.7Å; F1301-F1374 HydrophobicContact CE2-CD1 4.06Å; F1301-F1374 AromaticContact CE2-CE1 3.91Å; F1301-F1374 HydrophobicContact CE2-CE1 3.91Å; F1301-F1374 HydrophobicContact CE2-CZ 4.39Å; C1302-F1374 WeakPolarHBondContact O-CD1 3.46Å; Q1303-F1374 HydrophobicContact CB-CB 4.43Å; L1306-F1374 HydrophobicContact CD1-CD1 4.41Å; L1306-F1374 HydrophobicContact CD1-CE1 3.82Å; L1306-F1374 HydrophobicContact CD1-CE2 4.22Å; L1306-F1374 HydrophobicContact CD1-CZ 3.73Å; L1306-F1374 HydrophobicContact CD2-CE1 3.88Å; L1306-F1374 HydrophobicContact CD2-CZ 3.83Å; L1306-F1374 HydrophobicContact CG-CE1 3.91Å; L1306-F1374 HydrophobicContact CG-CZ 4.14Å; L1314-F1374 HydrophobicContact CD1-CZ 4.28Å; L1314-F1374 HydrophobicContact CD2-CE2 3.76Å; L1314-F1374 HydrophobicContact CD2-CZ 3.93Å; F1370-F1374 HydrophobicContact CD1-CD2 4.34Å; F1370-F1374 AromaticContact CD1-CE2 3.66Å; F1370-F1374 HydrophobicContact CD1-CE2 3.66Å; F1370-F1374 HydrophobicContact CD2-CE2 4.33Å; F1370-F1374 HydrophobicContact CE1-CD2 4.25Å; F1370-F1374 AromaticContact CE1-CE2 3.37Å; F1370-F1374 HydrophobicContact CE1-CE2 3.37Å; F1370-F1374 AromaticContact CE1-CZ 3.88Å; F1370-F1374 HydrophobicContact CE1-CZ 3.88Å; F1370-F1374 HydrophobicContact CE2-CE2 4.09Å; F1370-F1374 HydrophobicContact CE2-CZ 4.22Å; F1370-F1374 HydrophobicContact CG-CE2 4.15Å; F1370-F1374 AromaticContact CZ-CE2 3.61Å; F1370-F1374 HydrophobicContact CZ-CE2 3.61Å; F1370-F1374 AromaticContact CZ-CZ 3.69Å; F1370-F1374 HydrophobicContact CZ-CZ 3.69Å; F1370-F1374 VanDerWaalsContact O-CD2 3.32Å; F1370-F1374 WeakPolarHBondContact O-CD2 3.29Å; F1370-F1374 WeakPolarHBondContact O-CE2 3.42Å; R1371-F1374 PolarHBondContact O-N 2.89Å; Q1372-F1374 VanDerWaalsContact C-N 3.27Å; Q1372-F1374 PolarHBondContact O-N 3.31Å; F1374-W1377 HydrophobicContact CB-CE3 4.03Å; F1374-W1377 AromaticContact CD2-CE3 3.64Å; F1374-W1377 HydrophobicContact CD2-CE3 3.64Å; F1374-W1377 AromaticContact CD2-CZ3 3.58Å; F1374-W1377 HydrophobicContact CD2-CZ3 3.58Å; F1374-W1377 HydrophobicContact CE2-CE3 4.45Å; F1374-W1377 AromaticContact CE2-CZ3 3.96Å; F1374-W1377 HydrophobicContact CE2-CZ3 3.96Å; F1374-W1377 AromaticContact CG-CE3 3.98Å; F1374-W1377 HydrophobicContact CG-CE3 3.98Å; F1374-W1377 HydrophobicContact CG-CZ3 4.1Å
1375H84.5Confident77.4Confident1 Ų154.8 Ų54.81%0.00529%0.291CS..BIsolated β-bridgetrans-71.9151.7167.4-157.423.3000109.6Q1130 Y1167 I1180 W1377Q1130-H1375 PolarHBondContact NE2-O 3.2Å; Q1130-H1375 VanDerWaalsContact OE1-CB 3.23Å; Q1130-H1375 PolarHBondContact OE1-O 3.29Å; Q1130-H1375 VanDerWaalsContact OE1-O 3.07Å; Y1167-H1375 AromaticContact CE2-CE1 3.66Å; Y1167-H1375 AromaticContact CE2-ND1 3.46Å; Y1167-H1375 WeakPolarHBondContact CE2-ND1 3.22Å; Y1167-H1375 AromaticContact CZ-CE1 3.64Å; Y1167-H1375 AromaticContact CZ-ND1 3.21Å; Y1167-H1375 PolarHBondContact OH-ND1 3.19Å; I1180-H1375 VanDerWaalsContact CD1-CD2 3.5Å; I1180-H1375 WeakPolarHBondContact CD1-CD2 3.37Å; I1180-H1375 WeakPolarHBondContact CD1-NE2 3.32Å; H1375-W1377 PolarHBondContact O-N 3Å; H1375-W1377 VanDerWaalsContact O-N 3.17Å
1376G80.9Confident75Confident11 Ų1163 Ų6311%0.11331%0.309CS..THydrogen-bonded Turntrans50.939.7174.900000117.4R1087 Q1130 Y1167 G1378R1087-G1376 PolarHBondContact NH1-O 3.29Å; Q1130-G1376 VanDerWaalsContact OE1-N 3.13Å; Y1167-G1376 PolarHBondContact OH-N 3.24Å; Y1167-G1376 VanDerWaalsContact OH-N 3.13Å; G1376-G1378 PolarHBondContact O-N 3.13Å
1377W85.6Confident72Confident59 Ų5967.3 Ų67.322%0.22334%0.34CS..  trans-59.5128.7-178.7-172.7-73.3000112.1Q1303 L1306 E1366 F1370 R1371 F1374 H1375 Y1380Q1303-W1377 HydrophobicContact CB-CE3 4.24Å; Q1303-W1377 HydrophobicContact CB-CZ3 4.37Å; Q1303-W1377 HydrophobicContact CG-CD2 4.21Å; Q1303-W1377 HydrophobicContact CG-CE3 3.79Å; Q1303-W1377 HydrophobicContact CG-CH2 3.92Å; Q1303-W1377 HydrophobicContact CG-CZ2 4.33Å; Q1303-W1377 HydrophobicContact CG-CZ3 3.64Å; Q1303-W1377 VanDerWaalsContact OE1-CA 3.31Å; Q1303-W1377 VanDerWaalsContact OE1-CD2 3.27Å; L1306-W1377 HydrophobicContact CD1-CH2 4.06Å; L1306-W1377 HydrophobicContact CD1-CZ3 3.85Å; E1366-W1377 HydrophobicContact CB-CH2 4.3Å; E1366-W1377 HydrophobicContact CB-CZ2 4.33Å; E1366-W1377 HydrophobicContact CG-CH2 3.82Å; E1366-W1377 HydrophobicContact CG-CZ2 4.05Å; F1370-W1377 HydrophobicContact CD1-CH2 4.1Å; F1370-W1377 AromaticContact CD1-CZ3 3.92Å; F1370-W1377 HydrophobicContact CD1-CZ3 3.92Å; F1370-W1377 AromaticContact CE1-CH2 3.77Å; F1370-W1377 HydrophobicContact CE1-CH2 3.77Å; F1370-W1377 AromaticContact CE1-CZ3 3.66Å; F1370-W1377 HydrophobicContact CE1-CZ3 3.66Å; R1371-W1377 HydrophobicContact CB-CB 4.47Å; R1371-W1377 HydrophobicContact CB-CD2 3.82Å; R1371-W1377 HydrophobicContact CB-CE3 4.06Å; R1371-W1377 HydrophobicContact CB-CG 3.94Å; R1371-W1377 HydrophobicContact CG-CD2 3.61Å; R1371-W1377 HydrophobicContact CG-CE3 3.95Å; R1371-W1377 HydrophobicContact CG-CG 4.06Å; R1371-W1377 HydrophobicContact CG-CH2 4.31Å; R1371-W1377 HydrophobicContact CG-CZ2 3.99Å; R1371-W1377 HydrophobicContact CG-CZ3 4.28Å; F1374-W1377 HydrophobicContact CB-CE3 4.03Å; F1374-W1377 AromaticContact CD2-CE3 3.64Å; F1374-W1377 HydrophobicContact CD2-CE3 3.64Å; F1374-W1377 AromaticContact CD2-CZ3 3.58Å; F1374-W1377 HydrophobicContact CD2-CZ3 3.58Å; F1374-W1377 HydrophobicContact CE2-CE3 4.45Å; F1374-W1377 AromaticContact CE2-CZ3 3.96Å; F1374-W1377 HydrophobicContact CE2-CZ3 3.96Å; F1374-W1377 AromaticContact CG-CE3 3.98Å; F1374-W1377 HydrophobicContact CG-CE3 3.98Å; F1374-W1377 HydrophobicContact CG-CZ3 4.1Å; H1375-W1377 PolarHBondContact O-N 3Å; H1375-W1377 VanDerWaalsContact O-N 3.17Å; W1377-Y1380 HydrophobicContact CH2-CE2 4.25Å; W1377-Y1380 HydrophobicContact CZ2-CE2 4.13Å
1378G80.5Confident69Low25 Ų2572 Ų7226%0.25840%0.398SS..  trans-156.3-163.1-17300000113Q1303 G1376Q1303-G1378 PolarHBondContact NE2-O 3.24Å; Q1303-G1378 PolarHBondContact OE1-O 3.12Å; G1376-G1378 PolarHBondContact O-N 3.13Å
1379P75.8Confident68Low86 Ų8672.3 Ų72.356%0.55840%0.402SS*.  trans-55.7152.3171.4-21.733.8000111.7R1087R1087-P1379 PolarHBondContact NH2-O 2.75Å
1380Y67.4Low66.9Low33 Ų3372.9 Ų72.913%0.12941%0.407CS..  trans-80.5130.5165.5-88.7-79.6000109.7Q1303 L1306 W1323 K1363 W1377 E1382Q1303-Y1380 HydrophobicContact CG-CE1 4.16Å; L1306-Y1380 HydrophobicContact CB-CE1 4.34Å; L1306-Y1380 WeakPolarHBondContact CD1-OH 3.2Å; W1323-Y1380 HydrophobicContact CZ2-CE1 4.24Å; W1323-Y1380 HydrophobicContact CZ2-CE2 4.11Å; W1323-Y1380 AromaticContact CZ2-CZ 3.57Å; W1323-Y1380 WeakPolarHBondContact CZ2-OH 3.48Å; K1363-Y1380 HydrophobicContact CD-CD2 4.46Å; K1363-Y1380 HydrophobicContact CG-CD2 4.12Å; K1363-Y1380 HydrophobicContact CG-CE2 4.02Å; W1377-Y1380 HydrophobicContact CH2-CE2 4.25Å; W1377-Y1380 HydrophobicContact CZ2-CE2 4.13Å; Y1380-E1382 PolarHBondContact O-N 3.37Å
1381H62.9Low65.5Low74 Ų7476.9 Ų76.934%0.34343%0.429SS..  trans-69.4108.8163.3-173.4-89.6000108.7D1091D1091-H1381 IonicContact OD2-CE1 3.08Å
1382E54.9Low64Low122 Ų12276.6 Ų76.657%0.5744%0.436SS*.  trans-99.2107.2168.4-62.5-165.1149.600107.4K1363 Y1380 K1384K1363-E1382 IonicContact NZ-OE1 2.73Å; K1363-E1382 PolarHBondContact NZ-OE1 3.24Å; Y1380-E1382 PolarHBondContact O-N 3.37Å; E1382-K1384 PolarHBondContact O-N 3.13Å
1383P50.1Low62.5Low79 Ų7979.3 Ų79.351%0.51345%0.454SS..  trans-60.8132.1176.326.6-33.2000108.4D1385P1383-D1385 PolarHBondContact O-N 3.41Å
1384K45.8Very low60.7Low164 Ų16484.4 Ų84.471%0.71348%0.482SS*.  trans-66.2117.8179.3-68.8177.2179.4174.60108.9E1382 W1386E1382-K1384 PolarHBondContact O-N 3.13Å; K1384-W1386 PolarHBondContact O-N 3.01Å; K1384-W1386 VanDerWaalsContact O-N 3.13Å; K1384-W1386 PolarHBondContact O-NE1 3.35Å
1385D37.1Very low58.6Low126 Ų12690.3 Ų90.367%0.67452%0.516SS*.  trans-61112166.2-81.5-52.4000108.6R1327 P1383R1327-D1385 IonicContact NH2-OD2 2.88Å; P1383-D1385 PolarHBondContact O-N 3.41Å
1386W37.6Very low56.6Low235 Ų23597.2 Ų97.289%0.8956%0.556SS**  trans-88.19175.8-66.894.7000112.6K1384 G1388K1384-W1386 PolarHBondContact O-N 3.01Å; K1384-W1386 VanDerWaalsContact O-N 3.13Å; K1384-W1386 PolarHBondContact O-NE1 3.35Å; W1386-G1388 PolarHBondContact O-N 2.64Å; W1386-G1388 VanDerWaalsContact O-N 3.13Å
1387S28.7Very low54.6Low99 Ų99104.3 Ų104.369%0.69259%0.593SS**  trans-80.480.6178.534.70000111.8
1388G28.8Very low51.8Low150 Ų150108.5 Ų108.5100%1.54663%0.626SS**  trans-80.20161.200000113W1386W1386-G1388 PolarHBondContact O-N 2.64Å; W1386-G1388 VanDerWaalsContact O-N 3.13Å

Retrieved 1,388 of 1,388 residues in 2796.5 ms (Link to these results)

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