A0A067XG53_MOUSE Loading...

Peripheral plasma membrane protein CASK

AlphaFold DB , UniProt , Accession A0A067XG53, Species MOUSE (Mus musculus, Mouse), Gene Cask, Length 871 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
1R84.3Confident90.6Very high220 Ų220121.6 Ų121.683%0.8357%0.569SS**  0154.50-67-175179.2-178.6-0.1108.2A13 V14R1-A13 CarbonylContact O-C 3.5Å; R1-A13 WeakPolarHBondContact O-CA 3.16Å; R1-V14 HydrophobicContact CB-CG1 4.3Å; R1-V14 PolarHBondContact N-O 3.03Å; R1-V14 PolarHBondContact O-N 3.19Å
2R90.4Very high90.9Very high155 Ų155113.3 Ų113.359%0.58553%0.529SS*.EExtended strand (participates in β ladder)trans-77.6140.8171.2-174.517468.6170.8-4.2110.2Q11 F12 F67R2-Q11 VanDerWaalsContact CD-OE1 3.29Å; R2-F12 WeakPolarHBondContact CA-O 3Å; R2-F67 HydrophobicContact CB-CE2 4.11Å; R2-F67 HydrophobicContact CG-CD2 4.02Å; R2-F67 HydrophobicContact CG-CE2 3.81Å
3C91.3Very high91.1Very high38 Ų38106.8 Ų106.826%0.25751%0.506SS..EExtended strand (participates in β ladder)trans-134.5173.2170.251.40000110F12 V14C3-F12 PolarHBondContact N-O 2.98Å; C3-F12 PolarHBondContact O-N 2.73Å; C3-F12 VanDerWaalsContact SG-CB 3.58Å; C3-V14 HydrophobicContact CB-CG1 4.02Å
4I92.8Very high91.2Very high95 Ų95100.1 Ų100.149%0.48748%0.476SS..EExtended strand (participates in β ladder)trans-141134.2-176.2-52.9-176.7000108.5G9 Q10 Q11I4-G9 WeakPolarHBondContact CG2-O 3.46Å; I4-Q10 CarbonylContact C-O 3.52Å; I4-Q10 WeakPolarHBondContact CA-O 3.36Å; I4-Q11 HydrophobicContact CG1-CG 4.32Å
5N89.8Confident91.1Very high63 Ų6398.1 Ų98.134%0.33747%0.465SS..  trans-70.4128.1169.6175.7-50.2000109.3E7 T8 G9 Q10 F12N5-E7 VanDerWaalsContact C-N 3.33Å; N5-E7 PolarHBondContact O-N 3.29Å; N5-E7 PolarHBondContact OD1-N 3.47Å; N5-T8 WeakPolarHBondContact CB-OG1 3.32Å; N5-T8 PolarHBondContact OD1-N 2.99Å; N5-T8 PolarHBondContact OD1-OG1 3.21Å; N5-G9 WeakPolarHBondContact O-CA 3.09Å; N5-G9 PolarHBondContact O-N 3.47Å; N5-Q10 PolarHBondContact N-O 2.83Å; N5-F12 HydrophobicContact CB-CD2 4.27Å; N5-F12 HydrophobicContact CB-CE2 3.78Å
6R89.8Confident90.9Very high251 Ų25195.9 Ų95.995%0.94746%0.456SS*.THydrogen-bonded Turntrans-69.8-24.7-172.1-68.4-175.9177-1750114.5
7E91.1Very high90.3Very high185 Ų18591.2 Ų91.286%0.86444%0.435SS*.THydrogen-bonded Turntrans-92.8-43.2-176.8-60.4-178.1168.500111.4N5N5-E7 VanDerWaalsContact C-N 3.33Å; N5-E7 PolarHBondContact O-N 3.29Å; N5-E7 PolarHBondContact OD1-N 3.47Å
8T91.6Very high89.9Confident90 Ų9089.5 Ų89.555%0.55243%0.428SS*.THydrogen-bonded Turntrans-93.8-15.2-176.267.50000114.1N5 Q10N5-T8 WeakPolarHBondContact CB-OG1 3.32Å; N5-T8 PolarHBondContact OD1-N 2.99Å; N5-T8 PolarHBondContact OD1-OG1 3.21Å; T8-Q10 PolarHBondContact O-N 3.28Å; T8-Q10 WeakPolarHBondContact OG1-CB 3.5Å; T8-Q10 PolarHBondContact OG1-N 3.43Å
9G90.4Very high89.3Confident48 Ų4886.9 Ų86.950%0.49542%0.419SS..  trans68.93.4-172.600000114.6I4 N5I4-G9 WeakPolarHBondContact CG2-O 3.46Å; N5-G9 WeakPolarHBondContact O-CA 3.09Å; N5-G9 PolarHBondContact O-N 3.47Å
10Q91.3Very high88.6Confident113 Ų11385.4 Ų85.453%0.52842%0.421SS..  trans-70.1138.3-177.4-175176.90.900111.6I4 N5 T8 F12I4-Q10 CarbonylContact C-O 3.52Å; I4-Q10 WeakPolarHBondContact CA-O 3.36Å; N5-Q10 PolarHBondContact N-O 2.83Å; T8-Q10 PolarHBondContact O-N 3.28Å; T8-Q10 WeakPolarHBondContact OG1-CB 3.5Å; T8-Q10 PolarHBondContact OG1-N 3.43Å; Q10-F12 HydrophobicContact CB-CE2 3.76Å; Q10-F12 HydrophobicContact CB-CZ 4.17Å; Q10-F12 VanDerWaalsContact CD-CZ 3.41Å; Q10-F12 HydrophobicContact CG-CD2 4.5Å; Q10-F12 HydrophobicContact CG-CE1 4.47Å; Q10-F12 HydrophobicContact CG-CE2 3.69Å; Q10-F12 HydrophobicContact CG-CZ 3.69Å; Q10-F12 VanDerWaalsContact O-CD2 3.3Å; Q10-F12 WeakPolarHBondContact O-CD2 3.41Å; Q10-F12 WeakPolarHBondContact O-CE2 3.5Å
11Q94Very high87.7Confident80 Ų8086.6 Ų86.637%0.37442%0.424SS..EExtended strand (participates in β ladder)trans-88.6141-178.3-56.7-174.125.400111.5R2 I4 F67R2-Q11 VanDerWaalsContact CD-OE1 3.29Å; I4-Q11 HydrophobicContact CG1-CG 4.32Å; Q11-F67 HydrophobicContact CB-CB 4.29Å; Q11-F67 HydrophobicContact CB-CD1 4.36Å; Q11-F67 HydrophobicContact CB-CG 4.25Å; Q11-F67 WeakPolarHBondContact O-CB 3.43Å
12F93.8Very high87Confident22 Ų2278.4 Ų78.410%0.09639%0.394CS..EExtended strand (participates in β ladder)trans-136.6167.4-178.3-67-81.1000111.2R2 C3 N5 Q10 L52 V64R2-F12 WeakPolarHBondContact CA-O 3Å; C3-F12 PolarHBondContact N-O 2.98Å; C3-F12 PolarHBondContact O-N 2.73Å; C3-F12 VanDerWaalsContact SG-CB 3.58Å; N5-F12 HydrophobicContact CB-CD2 4.27Å; N5-F12 HydrophobicContact CB-CE2 3.78Å; Q10-F12 HydrophobicContact CB-CE2 3.76Å; Q10-F12 HydrophobicContact CB-CZ 4.17Å; Q10-F12 VanDerWaalsContact CD-CZ 3.41Å; Q10-F12 HydrophobicContact CG-CD2 4.5Å; Q10-F12 HydrophobicContact CG-CE1 4.47Å; Q10-F12 HydrophobicContact CG-CE2 3.69Å; Q10-F12 HydrophobicContact CG-CZ 3.69Å; Q10-F12 VanDerWaalsContact O-CD2 3.3Å; Q10-F12 WeakPolarHBondContact O-CD2 3.41Å; Q10-F12 WeakPolarHBondContact O-CE2 3.5Å; F12-L52 HydrophobicContact CD1-CD1 3.96Å; F12-L52 HydrophobicContact CE1-CD1 3.98Å; F12-L52 HydrophobicContact CE1-CD2 3.77Å; F12-V64 HydrophobicContact CB-CG1 3.82Å; F12-V64 HydrophobicContact CD1-CG1 4.25Å; F12-V64 HydrophobicContact CG-CG1 4.12Å
13A93.8Very high86.1Confident28 Ų2873.8 Ų73.823%0.23138%0.384CS..EExtended strand (participates in β ladder)trans-118.9104177.900000111R1 F65 F67R1-A13 CarbonylContact O-C 3.5Å; R1-A13 WeakPolarHBondContact O-CA 3.16Å; A13-F65 HydrophobicContact CB-CB 4.49Å; A13-F65 PolarHBondContact N-O 3.18Å; A13-F65 WeakPolarHBondContact O-CB 3.31Å; A13-F65 PolarHBondContact O-N 3.34Å; A13-F67 HydrophobicContact CB-CD2 4.36Å
14V92.7Very high84.8Confident13 Ų1376.2 Ų76.28%0.07940%0.401CS..EExtended strand (participates in β ladder)trans-90.8122177.664.80000112R1 C3 I16 Y62 M63 V64R1-V14 HydrophobicContact CB-CG1 4.3Å; R1-V14 PolarHBondContact N-O 3.03Å; R1-V14 PolarHBondContact O-N 3.19Å; C3-V14 HydrophobicContact CB-CG1 4.02Å; V14-I16 HydrophobicContact CG1-CD1 4.34Å; V14-I16 HydrophobicContact CG1-CG1 4.23Å; V14-I16 HydrophobicContact CG2-CG1 4.01Å; V14-Y62 HydrophobicContact CG2-CD1 4.06Å; V14-M63 CarbonylContact C-O 3.57Å; V14-M63 WeakPolarHBondContact CA-O 3.23Å; V14-V64 HydrophobicContact CG2-CG2 4.22Å
15K89.6Confident83Confident71 Ų7174 Ų7431%0.30939%0.394SS..EExtended strand (participates in β ladder)trans-81.6132.4160-173.1-172.6-177.4-175.10107.3V17 E36 Y62 M63 F65K15-V17 HydrophobicContact CD-CG2 4.25Å; K15-V17 HydrophobicContact CG-CG2 4.18Å; K15-E36 IonicContact NZ-OE1 3.4Å; K15-E36 PolarHBondContact NZ-OE1 3.44Å; K15-E36 IonicContact NZ-OE2 3.51Å; K15-E36 PolarHBondContact NZ-OE2 3.22Å; K15-Y62 WeakPolarHBondContact O-CA 3.37Å; K15-M63 HydrophobicContact CB-CB 4.26Å; K15-M63 HydrophobicContact CD-SD 4.05Å; K15-M63 PolarHBondContact N-O 2.82Å; K15-M63 PolarHBondContact O-N 3.42Å; K15-F65 HydrophobicContact CB-CE2 4.08Å
16I88.5Confident80.9Confident63 Ų6377.5 Ų77.532%0.32342%0.42SS..EExtended strand (participates in β ladder)trans-121.9128.2177.9-49.3175.9000106.4V14 M60 L61 Y62V14-I16 HydrophobicContact CG1-CD1 4.34Å; V14-I16 HydrophobicContact CG1-CG1 4.23Å; V14-I16 HydrophobicContact CG2-CG1 4.01Å; I16-M60 HydrophobicContact CG2-CB 4.27Å; I16-M60 HydrophobicContact CG2-SD 4.11Å; I16-L61 CarbonylContact C-O 3.45Å; I16-L61 WeakPolarHBondContact CA-O 3.36Å; I16-Y62 HydrophobicContact CB-CD1 4.47Å; I16-Y62 HydrophobicContact CD1-CD1 4.25Å; I16-Y62 HydrophobicContact CD1-CE1 4Å; I16-Y62 HydrophobicContact CG1-CD1 3.85Å; I16-Y62 HydrophobicContact CG1-CE1 4.03Å; I16-Y62 HydrophobicContact CG2-CD1 4.09Å; I16-Y62 HydrophobicContact CG2-CE1 3.81Å
17V79.4Confident79.3Confident16 Ų1669.4 Ų69.410%0.09742%0.415CS..EExtended strand (participates in β ladder)trans-127.3119.5-179.9-175.60000109K15 V19 F22 L33 M60 L61K15-V17 HydrophobicContact CD-CG2 4.25Å; K15-V17 HydrophobicContact CG-CG2 4.18Å; V17-V19 PolarHBondContact O-N 2.91Å; V17-F22 HydrophobicContact CG1-CB 3.86Å; V17-F22 HydrophobicContact CG1-CD2 3.89Å; V17-F22 HydrophobicContact CG1-CG 4.04Å; V17-L33 HydrophobicContact CG1-CD1 3.93Å; V17-L33 HydrophobicContact CG1-CD2 3.96Å; V17-L33 HydrophobicContact CG2-CD2 4.43Å; V17-M60 CarbonylContact O-C 3.58Å; V17-M60 WeakPolarHBondContact O-CA 3.46Å; V17-L61 HydrophobicContact CB-CB 4.47Å; V17-L61 PolarHBondContact N-O 3.17Å; V17-L61 PolarHBondContact O-N 3Å
18D84.3Confident78.2Confident60 Ų6064.2 Ų64.232%0.32139%0.392SS..EExtended strand (participates in β ladder)trans-67.2111.7165-178.5-39.2000107.9A20 K21 F22 M60D18-A20 PolarHBondContact OD1-N 3.47Å; D18-A20 VanDerWaalsContact OD1-N 3.14Å; D18-K21 HydrophobicContact CB-CB 3.98Å; D18-K21 WeakPolarHBondContact OD1-CB 3.1Å; D18-K21 PolarHBondContact OD1-N 3.26Å; D18-F22 VanDerWaalsContact O-CB 3.26Å; D18-F22 WeakPolarHBondContact O-CB 3.4Å; D18-F22 PolarHBondContact O-N 2.84Å; D18-M60 VanDerWaalsContact CA-SD 3.57Å; D18-M60 HydrophobicContact CB-CE 3.71Å; D18-M60 HydrophobicContact CB-SD 3.81Å; D18-M60 WeakPolarHBondContact OD2-CE 3.28Å
19V78.8Confident77.4Confident40 Ų4061.8 Ų61.824%0.24238%0.379CS..Hα-helixtrans-68.2-40.3-172.5179.10000110.5V17 F22 T23 T30 L33 G59 L61V17-V19 PolarHBondContact O-N 2.91Å; V19-F22 PolarHBondContact O-N 3.39Å; V19-T23 WeakPolarHBondContact O-CG2 3.45Å; V19-T23 PolarHBondContact O-N 3.19Å; V19-T23 PolarHBondContact O-OG1 2.62Å; V19-T30 HydrophobicContact CG1-CG2 4.03Å; V19-L33 HydrophobicContact CG2-CD1 4.37Å; V19-G59 WeakPolarHBondContact CB-O 3.31Å; V19-G59 WeakPolarHBondContact CG2-O 3.4Å; V19-G59 PolarHBondContact N-O 3.02Å; V19-L61 HydrophobicContact CG2-CB 3.98Å
20A73.7Confident76.6Confident56 Ų5662.3 Ų62.346%0.46337%0.373SS..Hα-helixtrans-64.6-49.2-179.600000111.2D18 F22 T23 S24D18-A20 PolarHBondContact OD1-N 3.47Å; D18-A20 VanDerWaalsContact OD1-N 3.14Å; A20-F22 VanDerWaalsContact C-N 3.29Å; A20-F22 PolarHBondContact O-N 2.86Å; A20-T23 PolarHBondContact O-N 3.15Å; A20-T23 PolarHBondContact O-OG1 3.07Å; A20-S24 PolarHBondContact O-N 3.47Å
21K71.1Confident76Confident111 Ų11163.4 Ų63.448%0.48338%0.378SS..Hα-helixtrans-66.3-29.4177.2-172.4172.5-179.3174.90112.9D18 S24 S25 H289D18-K21 HydrophobicContact CB-CB 3.98Å; D18-K21 WeakPolarHBondContact OD1-CB 3.1Å; D18-K21 PolarHBondContact OD1-N 3.26Å; K21-S24 PolarHBondContact O-OG 2.77Å; K21-S24 VanDerWaalsContact O-OG 3.08Å; K21-S25 PolarHBondContact O-OG 3.22Å; K21-H289 PolarHBondContact NZ-NE2 2.96Å
22F68.7Low75.2Confident48 Ų4861.2 Ų61.221%0.21137%0.369CS..Hα-helixtrans-68.2-46.9172.1-170.1-90.7000110.9V17 D18 V19 A20 S24 S25 L28 S29 D32 L33V17-F22 HydrophobicContact CG1-CB 3.86Å; V17-F22 HydrophobicContact CG1-CD2 3.89Å; V17-F22 HydrophobicContact CG1-CG 4.04Å; D18-F22 VanDerWaalsContact O-CB 3.26Å; D18-F22 WeakPolarHBondContact O-CB 3.4Å; D18-F22 PolarHBondContact O-N 2.84Å; V19-F22 PolarHBondContact O-N 3.39Å; A20-F22 VanDerWaalsContact C-N 3.29Å; A20-F22 PolarHBondContact O-N 2.86Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 3.19Å; F22-S25 WeakPolarHBondContact O-CB 3.45Å; F22-S25 PolarHBondContact O-N 3.29Å; F22-L28 HydrophobicContact CD1-CB 4.09Å; F22-L28 HydrophobicContact CD2-CD1 4.39Å; F22-L28 HydrophobicContact CE1-CB 3.74Å; F22-L28 HydrophobicContact CE1-CD1 4.36Å; F22-L28 HydrophobicContact CE1-CD2 4.36Å; F22-L28 HydrophobicContact CE1-CG 4.38Å; F22-L28 HydrophobicContact CE2-CD1 3.95Å; F22-L28 HydrophobicContact CZ-CB 4.13Å; F22-L28 HydrophobicContact CZ-CD1 3.94Å; F22-L28 HydrophobicContact CZ-CD2 4.02Å; F22-L28 HydrophobicContact CZ-CG 4.26Å; F22-S29 WeakPolarHBondContact CE1-O 3.49Å; F22-D32 HydrophobicContact CE1-CB 4.25Å; F22-L33 HydrophobicContact CB-CD1 4.27Å; F22-L33 HydrophobicContact CD1-CD1 3.69Å; F22-L33 HydrophobicContact CD1-CD2 3.91Å; F22-L33 HydrophobicContact CD1-CG 3.65Å; F22-L33 HydrophobicContact CD2-CD2 4.03Å; F22-L33 HydrophobicContact CE1-CD1 4.17Å; F22-L33 HydrophobicContact CE1-CD2 3.67Å; F22-L33 HydrophobicContact CE1-CG 3.57Å; F22-L33 HydrophobicContact CE2-CD2 3.79Å; F22-L33 HydrophobicContact CG-CD1 3.97Å; F22-L33 HydrophobicContact CG-CD2 4.08Å; F22-L33 HydrophobicContact CG-CG 4.19Å; F22-L33 HydrophobicContact CZ-CD2 3.6Å; F22-L33 HydrophobicContact CZ-CG 4.06Å
23T71.9Confident74.5Confident59 Ų5960.5 Ų60.536%0.36237%0.366SS..Hα-helixtrans-72.2-19.6178.651.10000115V19 A20 S25 T30V19-T23 WeakPolarHBondContact O-CG2 3.45Å; V19-T23 PolarHBondContact O-N 3.19Å; V19-T23 PolarHBondContact O-OG1 2.62Å; A20-T23 PolarHBondContact O-N 3.15Å; A20-T23 PolarHBondContact O-OG1 3.07Å; T23-S25 PolarHBondContact O-N 2.86Å; T23-T30 HydrophobicContact CG2-CG2 3.58Å
24S64.1Low74Confident88 Ų8865.5 Ų65.562%0.61538%0.382SS*.THydrogen-bonded Turntrans-77.3-3.7173.872.80000113.2A20 K21 F22A20-S24 PolarHBondContact O-N 3.47Å; K21-S24 PolarHBondContact O-OG 2.77Å; K21-S24 VanDerWaalsContact O-OG 3.08Å; F22-S24 VanDerWaalsContact C-N 3.33Å; F22-S24 PolarHBondContact O-N 3.19Å
25S55.2Low73.7Confident50 Ų5068.3 Ų68.335%0.3539%0.392SS..SBendtrans-89124.3176.5-61.10000109.9K21 F22 T23 G27 L28K21-S25 PolarHBondContact O-OG 3.22Å; F22-S25 WeakPolarHBondContact O-CB 3.45Å; F22-S25 PolarHBondContact O-N 3.29Å; T23-S25 PolarHBondContact O-N 2.86Å; S25-G27 PolarHBondContact O-N 2.95Å; S25-L28 PolarHBondContact O-N 3.38Å
26P46.4Very low73.8Confident136 Ų13665.5 Ų65.588%0.88338%0.38SS*.THydrogen-bonded Turntrans-53.3123.7-176.1-29.635.9000113.6
27G55.9Low73.7Confident81 Ų8163.3 Ų63.384%0.83537%0.371SS*.THydrogen-bonded Turntrans82.48.3179.200000115.9S25S25-G27 PolarHBondContact O-N 2.95Å
28L67.4Low74.2Confident75 Ų7566 Ų6639%0.39339%0.39SS..  trans-111.7135.2172-66.9-178.7000111.3F22 S25F22-L28 HydrophobicContact CD1-CB 4.09Å; F22-L28 HydrophobicContact CD2-CD1 4.39Å; F22-L28 HydrophobicContact CE1-CB 3.74Å; F22-L28 HydrophobicContact CE1-CD1 4.36Å; F22-L28 HydrophobicContact CE1-CD2 4.36Å; F22-L28 HydrophobicContact CE1-CG 4.38Å; F22-L28 HydrophobicContact CE2-CD1 3.95Å; F22-L28 HydrophobicContact CZ-CB 4.13Å; F22-L28 HydrophobicContact CZ-CD1 3.94Å; F22-L28 HydrophobicContact CZ-CD2 4.02Å; F22-L28 HydrophobicContact CZ-CG 4.26Å; S25-L28 PolarHBondContact O-N 3.38Å
29S73.6Confident74.6Confident39 Ų3963.3 Ų63.327%0.27338%0.376SS..  trans-130.4167.9-171.375.60000113.4F22 E31 D32F22-S29 WeakPolarHBondContact CE1-O 3.49Å; S29-E31 PolarHBondContact O-N 3.49Å; S29-E31 WeakPolarHBondContact OG-CB 3.24Å; S29-E31 PolarHBondContact OG-N 3.29Å; S29-E31 VanDerWaalsContact OG-N 3.15Å; S29-D32 WeakPolarHBondContact CA-OD2 3.4Å; S29-D32 WeakPolarHBondContact CB-OD2 3.46Å; S29-D32 PolarHBondContact N-OD2 3.48Å; S29-D32 PolarHBondContact O-N 2.97Å; S29-D32 PolarHBondContact OG-N 3.15Å; S29-D32 PolarHBondContact OG-OD2 2.89Å
30T74.6Confident75.3Confident59 Ų5961.6 Ų61.636%0.36237%0.366SS..Hα-helixtrans-65.1-20.6169.671.60000112.6V19 T23 K34V19-T30 HydrophobicContact CG1-CG2 4.03Å; T23-T30 HydrophobicContact CG2-CG2 3.58Å; T30-K34 VanDerWaalsContact O-CG 3.28Å; T30-K34 WeakPolarHBondContact O-CG 3.34Å; T30-K34 PolarHBondContact O-N 2.69Å; T30-K34 VanDerWaalsContact O-N 3.1Å
31E77.9Confident76.1Confident137 Ų13764.2 Ų64.264%0.6437%0.368SS*.Hα-helixtrans-72.3-33.5176.1-54.6-166.115600111.7S29 K34 R35S29-E31 PolarHBondContact O-N 3.49Å; S29-E31 WeakPolarHBondContact OG-CB 3.24Å; S29-E31 PolarHBondContact OG-N 3.29Å; S29-E31 VanDerWaalsContact OG-N 3.15Å; E31-K34 PolarHBondContact O-N 3.4Å; E31-R35 VanDerWaalsContact O-CB 3.26Å; E31-R35 WeakPolarHBondContact O-CB 3.15Å; E31-R35 PolarHBondContact O-N 2.96Å
32D77.1Confident77.1Confident34 Ų3462.8 Ų62.818%0.18236%0.364CS..Hα-helixtrans-65.4-41.7176.1-58.9-68000111.5F22 S29 R35 E36F22-D32 HydrophobicContact CE1-CB 4.25Å; S29-D32 WeakPolarHBondContact CA-OD2 3.4Å; S29-D32 WeakPolarHBondContact CB-OD2 3.46Å; S29-D32 PolarHBondContact N-OD2 3.48Å; S29-D32 PolarHBondContact O-N 2.97Å; S29-D32 PolarHBondContact OG-N 3.15Å; S29-D32 PolarHBondContact OG-OD2 2.89Å; D32-R35 PolarHBondContact O-N 2.7Å; D32-R35 IonicContact OD1-CZ 3.82Å; D32-R35 IonicContact OD1-NH1 3.8Å; D32-R35 PolarHBondContact OD1-NH1 3.18Å; D32-R35 IonicContact OD1-NH2 3.91Å; D32-R35 PolarHBondContact OD1-NH2 3.18Å; D32-E36 PolarHBondContact O-N 3.18Å
33L79.6Confident78.3Confident6 Ų660.5 Ų60.53%0.03135%0.354CS..Hα-helixtrans-65.8-42.7174.3-64179.9000112.2V17 V19 F22 R35 E36 A37 L61V17-L33 HydrophobicContact CG1-CD1 3.93Å; V17-L33 HydrophobicContact CG1-CD2 3.96Å; V17-L33 HydrophobicContact CG2-CD2 4.43Å; V19-L33 HydrophobicContact CG2-CD1 4.37Å; F22-L33 HydrophobicContact CB-CD1 4.27Å; F22-L33 HydrophobicContact CD1-CD1 3.69Å; F22-L33 HydrophobicContact CD1-CD2 3.91Å; F22-L33 HydrophobicContact CD1-CG 3.65Å; F22-L33 HydrophobicContact CD2-CD2 4.03Å; F22-L33 HydrophobicContact CE1-CD1 4.17Å; F22-L33 HydrophobicContact CE1-CD2 3.67Å; F22-L33 HydrophobicContact CE1-CG 3.57Å; F22-L33 HydrophobicContact CE2-CD2 3.79Å; F22-L33 HydrophobicContact CG-CD1 3.97Å; F22-L33 HydrophobicContact CG-CD2 4.08Å; F22-L33 HydrophobicContact CG-CG 4.19Å; F22-L33 HydrophobicContact CZ-CD2 3.6Å; F22-L33 HydrophobicContact CZ-CG 4.06Å; L33-R35 VanDerWaalsContact C-N 3.31Å; L33-R35 PolarHBondContact O-N 3.3Å; L33-E36 PolarHBondContact O-N 3.17Å; L33-A37 WeakPolarHBondContact O-CB 3.29Å; L33-A37 PolarHBondContact O-N 3.44Å; L33-L61 HydrophobicContact CB-CD2 3.97Å; L33-L61 HydrophobicContact CD1-CD2 4.37Å
34K82.7Confident79.4Confident133 Ų13361.6 Ų61.658%0.57835%0.354SS*.Hα-helixtrans-60.7-41.2173.1-72.5167.1-176.1169.10111.1T30 E31 A37 S38T30-K34 VanDerWaalsContact O-CG 3.28Å; T30-K34 WeakPolarHBondContact O-CG 3.34Å; T30-K34 PolarHBondContact O-N 2.69Å; T30-K34 VanDerWaalsContact O-N 3.1Å; E31-K34 PolarHBondContact O-N 3.4Å; K34-A37 PolarHBondContact O-N 3.12Å; K34-S38 WeakPolarHBondContact O-CB 3.18Å; K34-S38 PolarHBondContact O-N 2.71Å; K34-S38 PolarHBondContact O-OG 3.25Å; K34-S38 VanDerWaalsContact O-OG 3.1Å
35R88Confident81Confident72 Ų7259 Ų5927%0.27233%0.332SS..Hα-helixtrans-64.6-45.7178.4-161.1-170.7-46.5113.45.3112E31 D32 L33 I39E31-R35 VanDerWaalsContact O-CB 3.26Å; E31-R35 WeakPolarHBondContact O-CB 3.15Å; E31-R35 PolarHBondContact O-N 2.96Å; D32-R35 PolarHBondContact O-N 2.7Å; D32-R35 IonicContact OD1-CZ 3.82Å; D32-R35 IonicContact OD1-NH1 3.8Å; D32-R35 PolarHBondContact OD1-NH1 3.18Å; D32-R35 IonicContact OD1-NH2 3.91Å; D32-R35 PolarHBondContact OD1-NH2 3.18Å; L33-R35 VanDerWaalsContact C-N 3.31Å; L33-R35 PolarHBondContact O-N 3.3Å; R35-I39 HydrophobicContact CG-CD1 4Å; R35-I39 WeakPolarHBondContact O-CB 3.18Å; R35-I39 VanDerWaalsContact O-CG1 3.32Å; R35-I39 WeakPolarHBondContact O-CG1 3.22Å; R35-I39 PolarHBondContact O-N 2.83Å
36E89.9Confident82.9Confident13 Ų1360.8 Ų60.86%0.06134%0.342CS..Hα-helixtrans-60.3-45.4174.3-175.8-173.8-160.900111.1K15 D32 L33 C40 M63 G138K15-E36 IonicContact NZ-OE1 3.4Å; K15-E36 PolarHBondContact NZ-OE1 3.44Å; K15-E36 IonicContact NZ-OE2 3.51Å; K15-E36 PolarHBondContact NZ-OE2 3.22Å; D32-E36 PolarHBondContact O-N 3.18Å; L33-E36 PolarHBondContact O-N 3.17Å; E36-C40 VanDerWaalsContact O-CB 3.24Å; E36-C40 WeakPolarHBondContact O-CB 3.3Å; E36-C40 PolarHBondContact O-N 2.77Å; E36-C40 PolarHBondContact O-SG 2.91Å; E36-M63 HydrophobicContact CG-CE 4.08Å; E36-G138 VanDerWaalsContact CD-CA 3.49Å; E36-G138 WeakPolarHBondContact OE1-CA 3.33Å
37A87.3Confident85.4Confident17 Ų1755.9 Ų55.914%0.1431%0.307CS..Hα-helixtrans-63-48.2178.800000112.3L33 K34 C40 H41 T54 M63L33-A37 WeakPolarHBondContact O-CB 3.29Å; L33-A37 PolarHBondContact O-N 3.44Å; K34-A37 PolarHBondContact O-N 3.12Å; A37-C40 PolarHBondContact O-N 3.49Å; A37-H41 VanDerWaalsContact O-CB 3.25Å; A37-H41 WeakPolarHBondContact O-CB 3.36Å; A37-H41 PolarHBondContact O-N 3.46Å; A37-T54 HydrophobicContact CB-CG2 4.38Å; A37-M63 HydrophobicContact CB-CE 4.05Å
38S90.4Very high87.4Confident71 Ų7152.1 Ų52.150%0.49727%0.268SS..Hα-helixtrans-61.2-46.4177.1-64.30000112.3K34 H41 M42K34-S38 WeakPolarHBondContact O-CB 3.18Å; K34-S38 PolarHBondContact O-N 2.71Å; K34-S38 PolarHBondContact O-OG 3.25Å; K34-S38 VanDerWaalsContact O-OG 3.1Å; S38-H41 PolarHBondContact O-N 2.74Å; S38-M42 VanDerWaalsContact O-CG 3.27Å; S38-M42 WeakPolarHBondContact O-CG 3.5Å; S38-M42 PolarHBondContact O-N 3.43Å
39I93.1Very high88.8Confident4 Ų449.2 Ų49.22%0.02125%0.254CS..Hα-helixtrans-62.1-49.7177.8-74.4173000110.8R35 H41 M42 L43 I111 F137 A140R35-I39 HydrophobicContact CG-CD1 4Å; R35-I39 WeakPolarHBondContact O-CB 3.18Å; R35-I39 VanDerWaalsContact O-CG1 3.32Å; R35-I39 WeakPolarHBondContact O-CG1 3.22Å; R35-I39 PolarHBondContact O-N 2.83Å; I39-H41 VanDerWaalsContact C-N 3.26Å; I39-H41 PolarHBondContact O-N 3.25Å; I39-M42 PolarHBondContact O-N 3.01Å; I39-L43 HydrophobicContact CG2-CD1 3.7Å; I39-L43 HydrophobicContact CG2-CG 4.4Å; I39-L43 VanDerWaalsContact O-CG 3.28Å; I39-L43 WeakPolarHBondContact O-CG 3.26Å; I39-L43 PolarHBondContact O-N 3.45Å; I39-L43 VanDerWaalsContact O-N 3.1Å; I39-I111 HydrophobicContact CD1-CG2 4.5Å; I39-I111 HydrophobicContact CG1-CD1 4.5Å; I39-I111 HydrophobicContact CG2-CD1 4.26Å; I39-I111 HydrophobicContact CG2-CG2 3.9Å; I39-F137 HydrophobicContact CG2-CB 4.27Å; I39-F137 HydrophobicContact CG2-CD1 4.34Å; I39-F137 HydrophobicContact CG2-CG 4.46Å; I39-A140 HydrophobicContact CD1-CB 4.07Å; I39-A140 HydrophobicContact CG2-CB 4.15Å
40C91.9Very high89.8Confident4 Ų451 Ų513%0.02726%0.257CS..Hα-helixtrans-62.2-32.8178.4-69.40000112.7E36 A37 L51 F65E36-C40 VanDerWaalsContact O-CB 3.24Å; E36-C40 WeakPolarHBondContact O-CB 3.3Å; E36-C40 PolarHBondContact O-N 2.77Å; E36-C40 PolarHBondContact O-SG 2.91Å; A37-C40 PolarHBondContact O-N 3.49Å; C40-L51 HydrophobicContact CB-CB 3.78Å; C40-L51 HydrophobicContact CB-CD2 3.38Å; C40-L51 HydrophobicContact CB-CG 4.22Å; C40-F65 HydrophobicContact CB-CE1 4.17Å; C40-F65 HydrophobicContact CB-CZ 4.48Å
41H91.6Very high90.8Very high112 Ų11248.1 Ų48.152%0.51924%0.24SC..Hα-helixtrans-73.7-37177.8-175.485.4000112.3A37 S38 I39 K44 L51A37-H41 VanDerWaalsContact O-CB 3.25Å; A37-H41 WeakPolarHBondContact O-CB 3.36Å; A37-H41 PolarHBondContact O-N 3.46Å; S38-H41 PolarHBondContact O-N 2.74Å; I39-H41 VanDerWaalsContact C-N 3.26Å; I39-H41 PolarHBondContact O-N 3.25Å; H41-K44 VanDerWaalsContact O-CE 3.31Å; H41-K44 WeakPolarHBondContact O-CE 3.48Å; H41-L51 HydrophobicContact CB-CD2 4.42Å
42M91.7Very high91.5Very high81 Ų8144.9 Ų44.940%0.39923%0.227SC..Hα-helixtrans-68.7-32.3175.2-71.4168.363.100113S38 I39 K44 I111S38-M42 VanDerWaalsContact O-CG 3.27Å; S38-M42 WeakPolarHBondContact O-CG 3.5Å; S38-M42 PolarHBondContact O-N 3.43Å; I39-M42 PolarHBondContact O-N 3.01Å; M42-K44 PolarHBondContact O-N 2.72Å; M42-I111 HydrophobicContact CE-CD1 4.49Å
43L94.5Very high92.1Very high0 Ų049 Ų490%025%0.245CC..  trans-82.696.3-172.1-70.1172.9000112.7I39 I48 Y105 I111 F137I39-L43 HydrophobicContact CG2-CD1 3.7Å; I39-L43 HydrophobicContact CG2-CG 4.4Å; I39-L43 VanDerWaalsContact O-CG 3.28Å; I39-L43 WeakPolarHBondContact O-CG 3.26Å; I39-L43 PolarHBondContact O-N 3.45Å; I39-L43 VanDerWaalsContact O-N 3.1Å; L43-I48 HydrophobicContact CB-CD1 4.16Å; L43-I48 HydrophobicContact CB-CG2 4.16Å; L43-I48 HydrophobicContact CD1-CD1 4.44Å; L43-I48 HydrophobicContact CD2-CD1 4.13Å; L43-I48 HydrophobicContact CG-CD1 4.49Å; L43-Y105 HydrophobicContact CB-CE1 4.49Å; L43-Y105 HydrophobicContact CD2-CD1 3.87Å; L43-Y105 HydrophobicContact CD2-CE1 3.71Å; L43-I111 HydrophobicContact CD1-CD1 4.45Å; L43-I111 HydrophobicContact CD2-CD1 3.81Å; L43-I111 HydrophobicContact CG-CD1 4.07Å; L43-F137 HydrophobicContact CD1-CD1 3.82Å; L43-F137 HydrophobicContact CD1-CD2 4.44Å; L43-F137 HydrophobicContact CD1-CE1 3.54Å; L43-F137 HydrophobicContact CD1-CE2 4.22Å; L43-F137 HydrophobicContact CD1-CG 4.27Å; L43-F137 HydrophobicContact CD1-CZ 3.78Å
44K94.6Very high92.6Very high82 Ų8252 Ų5236%0.35726%0.263SS..  trans-115.195.3178-58.2-62-171.6171.50111.1H41 M42 E50 L51 Y105H41-K44 VanDerWaalsContact O-CE 3.31Å; H41-K44 WeakPolarHBondContact O-CE 3.48Å; M42-K44 PolarHBondContact O-N 2.72Å; K44-E50 HydrophobicContact CD-CG 4.02Å; K44-E50 WeakPolarHBondContact CD-OE1 3.33Å; K44-E50 WeakPolarHBondContact CE-OE1 3.41Å; K44-E50 IonicContact NZ-OE1 2.68Å; K44-E50 PolarHBondContact NZ-OE1 2.75Å; K44-L51 PolarHBondContact NZ-O 3.44Å; K44-Y105 PolarHBondContact N-OH 2.76Å; K44-Y105 PolarHBondContact O-OH 3.05Å
45H96.9Very high92.8Very high34 Ų3450.9 Ų50.916%0.15726%0.257CS..  trans-149.9140.9-175.9-175-102.9000111.4H47 I48 E101 Y105H45-H47 PolarHBondContact ND1-N 3.18Å; H45-H47 PolarHBondContact O-N 3.33Å; H45-I48 HydrophobicContact CB-CB 4.2Å; H45-I48 HydrophobicContact CB-CD1 3.9Å; H45-I48 HydrophobicContact CB-CG1 4.01Å; H45-I48 PolarHBondContact O-N 3.04Å; H45-E101 PolarHBondContact CE1-O 3.43Å; H45-Y105 HydrophobicContact CB-CD1 3.72Å; H45-Y105 HydrophobicContact CB-CD2 4.32Å; H45-Y105 HydrophobicContact CB-CE1 3.96Å; H45-Y105 HydrophobicContact CB-CG 3.9Å; H45-Y105 AromaticContact CD2-CD2 3.76Å; H45-Y105 AromaticContact CD2-CG 3.73Å; H45-Y105 AromaticContact CG-CG 3.87Å
46P96.8Very high92.6Very high87 Ų8752.2 Ų52.257%0.56528%0.277SS*.THydrogen-bonded Turntrans-62.3-15.2-175.524-36.4000115.6K133P46-K133 WeakPolarHBondContact O-CE 3.45Å
47H98Very high92.2Very high32 Ų3254.1 Ų54.115%0.14829%0.292CS..THydrogen-bonded Turntrans-10918.3174.2-62.7-58000113.5H45 Q98 A102 V132 K133 L134H45-H47 PolarHBondContact ND1-N 3.18Å; H45-H47 PolarHBondContact O-N 3.33Å; H47-Q98 PolarHBondContact CE1-OE1 3.03Å; H47-Q98 PolarHBondContact ND1-OE1 2.88Å; H47-A102 HydrophobicContact CB-CB 3.82Å; H47-A102 WeakPolarHBondContact O-CB 3.33Å; H47-V132 PolarHBondContact ND1-O 3.37Å; H47-K133 WeakPolarHBondContact O-CA 3.47Å; H47-L134 PolarHBondContact O-N 2.85Å
48I98Very high92.1Very high2 Ų258.8 Ų58.81%0.0131%0.314CS..BIsolated β-bridgetrans-118144171-65.9-179.8000108.5L43 H45 E50 A102 Y105 L134 F137L43-I48 HydrophobicContact CB-CD1 4.16Å; L43-I48 HydrophobicContact CB-CG2 4.16Å; L43-I48 HydrophobicContact CD1-CD1 4.44Å; L43-I48 HydrophobicContact CD2-CD1 4.13Å; L43-I48 HydrophobicContact CG-CD1 4.49Å; H45-I48 HydrophobicContact CB-CB 4.2Å; H45-I48 HydrophobicContact CB-CD1 3.9Å; H45-I48 HydrophobicContact CB-CG1 4.01Å; H45-I48 PolarHBondContact O-N 3.04Å; I48-E50 PolarHBondContact O-N 2.87Å; I48-A102 HydrophobicContact CG1-CB 3.9Å; I48-Y105 HydrophobicContact CD1-CD1 3.74Å; I48-Y105 HydrophobicContact CD1-CE1 4.37Å; I48-L134 CarbonylContact C-O 3.59Å; I48-L134 WeakPolarHBondContact CA-O 3.36Å; I48-F137 HydrophobicContact CD1-CZ 4.44Å; I48-F137 HydrophobicContact CG2-CE2 3.76Å; I48-F137 HydrophobicContact CG2-CZ 3.96Å
49V96.4Very high91.5Very high15 Ų1557.4 Ų57.49%0.09131%0.311CS..  trans-73.5109173.7-1790000108.9F65 E66 M68 L122 K133 L134V49-F65 HydrophobicContact CG1-CB 4.15Å; V49-F65 HydrophobicContact CG1-CD1 4.13Å; V49-E66 WeakPolarHBondContact CA-OE1 3.38Å; V49-E66 HydrophobicContact CG1-CG 3.97Å; V49-M68 HydrophobicContact CG2-CG 4.42Å; V49-M68 HydrophobicContact CG2-SD 4.19Å; V49-L122 HydrophobicContact CG2-CD1 4.49Å; V49-K133 HydrophobicContact CG2-CB 3.66Å; V49-L134 PolarHBondContact N-O 3.06Å
50E95Very high91.1Very high75 Ų7558.7 Ų58.735%0.3532%0.317SS..  trans-71.1128.7-174.7-178.6168.8-173.900112.6K44 I48 F65 E66K44-E50 HydrophobicContact CD-CG 4.02Å; K44-E50 WeakPolarHBondContact CD-OE1 3.33Å; K44-E50 WeakPolarHBondContact CE-OE1 3.41Å; K44-E50 IonicContact NZ-OE1 2.68Å; K44-E50 PolarHBondContact NZ-OE1 2.75Å; I48-E50 PolarHBondContact O-N 2.87Å; E50-F65 VanDerWaalsContact O-CA 3.24Å; E50-F65 WeakPolarHBondContact O-CA 3.4Å; E50-E66 HydrophobicContact CB-CG 4.33Å; E50-E66 PolarHBondContact N-OE1 3.39Å; E50-E66 PolarHBondContact O-N 2.78Å
51L95Very high90.7Very high0 Ų059.9 Ų59.90%032%0.323CS..EExtended strand (participates in β ladder)trans-83.6121.4161.1177.861.7000108.9C40 H41 K44 E53 T54 M63 F65C40-L51 HydrophobicContact CB-CB 3.78Å; C40-L51 HydrophobicContact CB-CD2 3.38Å; C40-L51 HydrophobicContact CB-CG 4.22Å; H41-L51 HydrophobicContact CB-CD2 4.42Å; K44-L51 PolarHBondContact NZ-O 3.44Å; L51-E53 WeakPolarHBondContact CD1-O 3.25Å; L51-T54 HydrophobicContact CD1-CG2 4.02Å; L51-T54 HydrophobicContact CD2-CG2 3.72Å; L51-T54 HydrophobicContact CG-CG2 4.2Å; L51-M63 HydrophobicContact CD1-CB 3.82Å; L51-M63 HydrophobicContact CD2-CE 3.94Å; L51-F65 HydrophobicContact CB-CD1 3.9Å; L51-F65 HydrophobicContact CB-CE1 3.77Å; L51-F65 HydrophobicContact CB-CZ 4.46Å; L51-F65 HydrophobicContact CD1-CD1 4.25Å; L51-F65 HydrophobicContact CD1-CD2 4.28Å; L51-F65 HydrophobicContact CD1-CE1 4.13Å; L51-F65 HydrophobicContact CD1-CE2 4.15Å; L51-F65 HydrophobicContact CD1-CG 4.34Å; L51-F65 HydrophobicContact CD1-CZ 4.08Å; L51-F65 HydrophobicContact CG-CE1 4.43Å
52L92.4Very high90.7Very high68 Ų6856.7 Ų56.736%0.35631%0.307SS..EExtended strand (participates in β ladder)trans-90.8-54.1177.6-60.697.5000110.9F12 V64 E66F12-L52 HydrophobicContact CD1-CD1 3.96Å; F12-L52 HydrophobicContact CE1-CD1 3.98Å; F12-L52 HydrophobicContact CE1-CD2 3.77Å; L52-V64 PolarHBondContact N-O 2.97Å; L52-E66 HydrophobicContact CD1-CB 4.23Å; L52-E66 VanDerWaalsContact CD1-N 3.27Å
53E89.6Confident90.6Very high121 Ų12152.9 Ų52.957%0.56529%0.288SS*.EExtended strand (participates in β ladder)trans-135.2151.5-170.6-60.2-178.6155.600112.3L51 V64L51-E53 WeakPolarHBondContact CD1-O 3.25Å; E53-V64 HydrophobicContact CB-CB 4.21Å; E53-V64 HydrophobicContact CB-CG2 4.41Å; E53-V64 PolarHBondContact N-O 2.7Å; E53-V64 PolarHBondContact O-N 2.81Å
54T90.1Very high90.6Very high68 Ų6853.4 Ų53.442%0.41729%0.292SS..EExtended strand (participates in β ladder)trans-135.9132.3170.454.20000110.2A37 L51 Y62 M63A37-T54 HydrophobicContact CB-CG2 4.38Å; L51-T54 HydrophobicContact CD1-CG2 4.02Å; L51-T54 HydrophobicContact CD2-CG2 3.72Å; L51-T54 HydrophobicContact CG-CG2 4.2Å; T54-Y62 VanDerWaalsContact CA-O 3.31Å; T54-Y62 WeakPolarHBondContact CA-O 3.13Å; T54-M63 HydrophobicContact CG2-CB 4.4Å; T54-M63 HydrophobicContact CG2-CG 4.19Å
55Y87.8Confident90.6Very high111 Ų11151 Ų5144%0.43528%0.281SS..EExtended strand (participates in β ladder)trans-145158.3175.561.4-90.9000111Y62 V64Y55-Y62 AromaticContact CD2-CD2 3.63Å; Y55-Y62 HydrophobicContact CD2-CD2 3.63Å; Y55-Y62 HydrophobicContact CD2-CE2 4.44Å; Y55-Y62 AromaticContact CD2-CG 3.89Å; Y55-Y62 HydrophobicContact CD2-CG 3.89Å; Y55-Y62 HydrophobicContact CE1-CG 4.39Å; Y55-Y62 VanDerWaalsContact CE2-CB 3.45Å; Y55-Y62 AromaticContact CE2-CD1 3.88Å; Y55-Y62 HydrophobicContact CE2-CD1 3.88Å; Y55-Y62 AromaticContact CE2-CD2 3.33Å; Y55-Y62 HydrophobicContact CE2-CD2 3.33Å; Y55-Y62 HydrophobicContact CE2-CE1 4.48Å; Y55-Y62 AromaticContact CE2-CE2 4Å; Y55-Y62 HydrophobicContact CE2-CE2 4Å; Y55-Y62 AromaticContact CE2-CG 3.27Å; Y55-Y62 HydrophobicContact CE2-CG 3.27Å; Y55-Y62 AromaticContact CZ-CD1 3.93Å; Y55-Y62 AromaticContact CZ-CG 3.56Å; Y55-Y62 PolarHBondContact N-O 3.24Å; Y55-Y62 PolarHBondContact O-N 3.48Å; Y55-V64 HydrophobicContact CE1-CG2 3.79Å
56S84.6Confident90.5Very high100 Ų10051.1 Ų51.170%0.69928%0.282SS*.EExtended strand (participates in β ladder)trans-125.4132.2179.655.60000110.5M60S56-M60 VanDerWaalsContact CA-O 3.32Å; S56-M60 WeakPolarHBondContact CA-O 3.42Å
57S81.3Confident90.4Very high53 Ų5349.9 Ų49.937%0.37127%0.268SS..EExtended strand (participates in β ladder)trans-148.2143.6176.3-161.70000108.7G59 M60S57-G59 VanDerWaalsContact C-N 3.28Å; S57-G59 PolarHBondContact O-N 3.15Å; S57-G59 VanDerWaalsContact O-N 3.12Å; S57-M60 PolarHBondContact N-O 3.48Å; S57-M60 WeakPolarHBondContact O-CA 3.44Å; S57-M60 WeakPolarHBondContact O-CB 3.39Å; S57-M60 PolarHBondContact O-N 3.47Å; S57-M60 VanDerWaalsContact O-O 3.12Å
58D83.6Confident90.2Very high114 Ų11449.5 Ų49.561%0.6127%0.266SS*.THydrogen-bonded Turntrans54.737.5166.8-42.4-64000115M60D58-M60 PolarHBondContact O-N 3.31Å
59G78.8Confident89.8Confident42 Ų4252.7 Ų52.743%0.43328%0.283SS..THydrogen-bonded Turntrans74.21.7-17600000115.3V19 S57V19-G59 WeakPolarHBondContact CB-O 3.31Å; V19-G59 WeakPolarHBondContact CG2-O 3.4Å; V19-G59 PolarHBondContact N-O 3.02Å; S57-G59 VanDerWaalsContact C-N 3.28Å; S57-G59 PolarHBondContact O-N 3.15Å; S57-G59 VanDerWaalsContact O-N 3.12Å
60M85.6Confident89.3Confident31 Ų3152.4 Ų52.415%0.15328%0.283CS..EExtended strand (participates in β ladder)trans-104.7135-179-59.5-79.8156.400111I16 V17 D18 S56 S57 D58 Y62 P434I16-M60 HydrophobicContact CG2-CB 4.27Å; I16-M60 HydrophobicContact CG2-SD 4.11Å; V17-M60 CarbonylContact O-C 3.58Å; V17-M60 WeakPolarHBondContact O-CA 3.46Å; D18-M60 VanDerWaalsContact CA-SD 3.57Å; D18-M60 HydrophobicContact CB-CE 3.71Å; D18-M60 HydrophobicContact CB-SD 3.81Å; D18-M60 WeakPolarHBondContact OD2-CE 3.28Å; S56-M60 VanDerWaalsContact CA-O 3.32Å; S56-M60 WeakPolarHBondContact CA-O 3.42Å; S57-M60 PolarHBondContact N-O 3.48Å; S57-M60 WeakPolarHBondContact O-CA 3.44Å; S57-M60 WeakPolarHBondContact O-CB 3.39Å; S57-M60 PolarHBondContact O-N 3.47Å; S57-M60 VanDerWaalsContact O-O 3.12Å; D58-M60 PolarHBondContact O-N 3.31Å; M60-Y62 HydrophobicContact CB-CD2 4.28Å; M60-Y62 HydrophobicContact CB-CE2 3.51Å; M60-P434 HydrophobicContact CE-CB 4.46Å
61L83.8Confident89.1Confident29 Ų2950.9 Ų50.915%0.15228%0.284CS..EExtended strand (participates in β ladder)trans-95.7127.1167.2178.164.8000109.6I16 V17 V19 L33 M63I16-L61 CarbonylContact C-O 3.45Å; I16-L61 WeakPolarHBondContact CA-O 3.36Å; V17-L61 HydrophobicContact CB-CB 4.47Å; V17-L61 PolarHBondContact N-O 3.17Å; V17-L61 PolarHBondContact O-N 3Å; V19-L61 HydrophobicContact CG2-CB 3.98Å; L33-L61 HydrophobicContact CB-CD2 3.97Å; L33-L61 HydrophobicContact CD1-CD2 4.37Å; L61-M63 HydrophobicContact CD2-SD 4.5Å; L61-M63 HydrophobicContact CG-CG 4.3Å
62Y90.2Very high89Confident46 Ų4651.8 Ų51.818%0.1829%0.288CS..EExtended strand (participates in β ladder)trans-110.9129.4177.6-59-99.7000109.5V14 K15 I16 T54 Y55 M60V14-Y62 HydrophobicContact CG2-CD1 4.06Å; K15-Y62 WeakPolarHBondContact O-CA 3.37Å; I16-Y62 HydrophobicContact CB-CD1 4.47Å; I16-Y62 HydrophobicContact CD1-CD1 4.25Å; I16-Y62 HydrophobicContact CD1-CE1 4Å; I16-Y62 HydrophobicContact CG1-CD1 3.85Å; I16-Y62 HydrophobicContact CG1-CE1 4.03Å; I16-Y62 HydrophobicContact CG2-CD1 4.09Å; I16-Y62 HydrophobicContact CG2-CE1 3.81Å; T54-Y62 VanDerWaalsContact CA-O 3.31Å; T54-Y62 WeakPolarHBondContact CA-O 3.13Å; Y55-Y62 AromaticContact CD2-CD2 3.63Å; Y55-Y62 HydrophobicContact CD2-CD2 3.63Å; Y55-Y62 HydrophobicContact CD2-CE2 4.44Å; Y55-Y62 AromaticContact CD2-CG 3.89Å; Y55-Y62 HydrophobicContact CD2-CG 3.89Å; Y55-Y62 HydrophobicContact CE1-CG 4.39Å; Y55-Y62 VanDerWaalsContact CE2-CB 3.45Å; Y55-Y62 AromaticContact CE2-CD1 3.88Å; Y55-Y62 HydrophobicContact CE2-CD1 3.88Å; Y55-Y62 AromaticContact CE2-CD2 3.33Å; Y55-Y62 HydrophobicContact CE2-CD2 3.33Å; Y55-Y62 HydrophobicContact CE2-CE1 4.48Å; Y55-Y62 AromaticContact CE2-CE2 4Å; Y55-Y62 HydrophobicContact CE2-CE2 4Å; Y55-Y62 AromaticContact CE2-CG 3.27Å; Y55-Y62 HydrophobicContact CE2-CG 3.27Å; Y55-Y62 AromaticContact CZ-CD1 3.93Å; Y55-Y62 AromaticContact CZ-CG 3.56Å; Y55-Y62 PolarHBondContact N-O 3.24Å; Y55-Y62 PolarHBondContact O-N 3.48Å; M60-Y62 HydrophobicContact CB-CD2 4.28Å; M60-Y62 HydrophobicContact CB-CE2 3.51Å
63M90.9Very high89Confident0 Ų048.7 Ų48.70%027%0.272CS..EExtended strand (participates in β ladder)trans-125.4113.6176.7-52.817369.500108.2V14 K15 E36 A37 L51 T54 L61 F65V14-M63 CarbonylContact C-O 3.57Å; V14-M63 WeakPolarHBondContact CA-O 3.23Å; K15-M63 HydrophobicContact CB-CB 4.26Å; K15-M63 HydrophobicContact CD-SD 4.05Å; K15-M63 PolarHBondContact N-O 2.82Å; K15-M63 PolarHBondContact O-N 3.42Å; E36-M63 HydrophobicContact CG-CE 4.08Å; A37-M63 HydrophobicContact CB-CE 4.05Å; L51-M63 HydrophobicContact CD1-CB 3.82Å; L51-M63 HydrophobicContact CD2-CE 3.94Å; T54-M63 HydrophobicContact CG2-CB 4.4Å; T54-M63 HydrophobicContact CG2-CG 4.19Å; L61-M63 HydrophobicContact CD2-SD 4.5Å; L61-M63 HydrophobicContact CG-CG 4.3Å; M63-F65 HydrophobicContact CB-CD2 4.36Å; M63-F65 HydrophobicContact CB-CE2 3.7Å; M63-F65 HydrophobicContact CB-CZ 4.37Å; M63-F65 HydrophobicContact CE-CE2 4.37Å; M63-F65 HydrophobicContact CE-CZ 4Å; M63-F65 WeakPolarHBondContact O-CD2 3.33Å
64V94.1Very high89.2Confident12 Ų1243 Ų437%0.07325%0.246CC..EExtended strand (participates in β ladder)trans-98.1103.4-173.3-174.50000109.6F12 V14 L52 E53 Y55F12-V64 HydrophobicContact CB-CG1 3.82Å; F12-V64 HydrophobicContact CD1-CG1 4.25Å; F12-V64 HydrophobicContact CG-CG1 4.12Å; V14-V64 HydrophobicContact CG2-CG2 4.22Å; L52-V64 PolarHBondContact N-O 2.97Å; E53-V64 HydrophobicContact CB-CB 4.21Å; E53-V64 HydrophobicContact CB-CG2 4.41Å; E53-V64 PolarHBondContact N-O 2.7Å; E53-V64 PolarHBondContact O-N 2.81Å; Y55-V64 HydrophobicContact CE1-CG2 3.79Å
65F94.9Very high89.3Confident30 Ų3043.2 Ų43.213%0.13224%0.241CC..EExtended strand (participates in β ladder)trans-93.4162.4174.4-61.5-94.6000111.3A13 K15 C40 V49 E50 L51 M63A13-F65 HydrophobicContact CB-CB 4.49Å; A13-F65 PolarHBondContact N-O 3.18Å; A13-F65 WeakPolarHBondContact O-CB 3.31Å; A13-F65 PolarHBondContact O-N 3.34Å; K15-F65 HydrophobicContact CB-CE2 4.08Å; C40-F65 HydrophobicContact CB-CE1 4.17Å; C40-F65 HydrophobicContact CB-CZ 4.48Å; V49-F65 HydrophobicContact CG1-CB 4.15Å; V49-F65 HydrophobicContact CG1-CD1 4.13Å; E50-F65 VanDerWaalsContact O-CA 3.24Å; E50-F65 WeakPolarHBondContact O-CA 3.4Å; L51-F65 HydrophobicContact CB-CD1 3.9Å; L51-F65 HydrophobicContact CB-CE1 3.77Å; L51-F65 HydrophobicContact CB-CZ 4.46Å; L51-F65 HydrophobicContact CD1-CD1 4.25Å; L51-F65 HydrophobicContact CD1-CD2 4.28Å; L51-F65 HydrophobicContact CD1-CE1 4.13Å; L51-F65 HydrophobicContact CD1-CE2 4.15Å; L51-F65 HydrophobicContact CD1-CG 4.34Å; L51-F65 HydrophobicContact CD1-CZ 4.08Å; L51-F65 HydrophobicContact CG-CE1 4.43Å; M63-F65 HydrophobicContact CB-CD2 4.36Å; M63-F65 HydrophobicContact CB-CE2 3.7Å; M63-F65 HydrophobicContact CB-CZ 4.37Å; M63-F65 HydrophobicContact CE-CE2 4.37Å; M63-F65 HydrophobicContact CE-CZ 4Å; M63-F65 WeakPolarHBondContact O-CD2 3.33Å
66E94.3Very high89.5Confident37 Ų3738.1 Ų38.117%0.17322%0.221CC..EExtended strand (participates in β ladder)trans-58.8150.2166.659173.2142.700112V49 E50 L52 M68 K133V49-E66 WeakPolarHBondContact CA-OE1 3.38Å; V49-E66 HydrophobicContact CG1-CG 3.97Å; E50-E66 HydrophobicContact CB-CG 4.33Å; E50-E66 PolarHBondContact N-OE1 3.39Å; E50-E66 PolarHBondContact O-N 2.78Å; L52-E66 HydrophobicContact CD1-CB 4.23Å; L52-E66 VanDerWaalsContact CD1-N 3.27Å; E66-M68 HydrophobicContact CB-CE 4.47Å; E66-M68 HydrophobicContact CG-CE 3.78Å; E66-M68 VanDerWaalsContact OE2-CE 3.31Å; E66-M68 WeakPolarHBondContact OE2-CE 3.32Å; E66-K133 WeakPolarHBondContact OE1-CD 3.44Å; E66-K133 IonicContact OE1-NZ 2.71Å; E66-K133 PolarHBondContact OE1-NZ 2.88Å; E66-K133 IonicContact OE2-NZ 3.68Å; E66-K133 PolarHBondContact OE2-NZ 2.7Å
67F93.9Very high90Very high62 Ų6233.5 Ų33.527%0.27219%0.189SC..PPolyproline II helixtrans-87.1120.4-180-175-101.5000111.9R2 Q11 A13 D69R2-F67 HydrophobicContact CB-CE2 4.11Å; R2-F67 HydrophobicContact CG-CD2 4.02Å; R2-F67 HydrophobicContact CG-CE2 3.81Å; Q11-F67 HydrophobicContact CB-CB 4.29Å; Q11-F67 HydrophobicContact CB-CD1 4.36Å; Q11-F67 HydrophobicContact CB-CG 4.25Å; Q11-F67 WeakPolarHBondContact O-CB 3.43Å; A13-F67 HydrophobicContact CB-CD2 4.36Å; F67-D69 HydrophobicContact CD1-CB 4.29Å; F67-D69 HydrophobicContact CE1-CB 3.93Å
68M93.8Very high90.5Very high24 Ų2431.5 Ų31.512%0.11817%0.174CC..PPolyproline II helixtrans-88.9122169.4-53.7-70.780.200109.6V49 E66 L122 A124 K133V49-M68 HydrophobicContact CG2-CG 4.42Å; V49-M68 HydrophobicContact CG2-SD 4.19Å; E66-M68 HydrophobicContact CB-CE 4.47Å; E66-M68 HydrophobicContact CG-CE 3.78Å; E66-M68 VanDerWaalsContact OE2-CE 3.31Å; E66-M68 WeakPolarHBondContact OE2-CE 3.32Å; M68-L122 HydrophobicContact CB-CB 4.4Å; M68-L122 HydrophobicContact CB-CD1 4.32Å; M68-L122 HydrophobicContact CG-CB 4.09Å; M68-L122 HydrophobicContact CG-CD1 3.85Å; M68-A124 HydrophobicContact CE-CB 3.97Å; M68-A124 HydrophobicContact SD-CB 4.13Å; M68-K133 HydrophobicContact CE-CD 4.03Å; M68-K133 HydrophobicContact SD-CB 4.06Å; M68-K133 HydrophobicContact SD-CD 3.82Å; M68-K133 HydrophobicContact SD-CG 4.25Å
69D89.9Confident90.9Very high69 Ų6930.5 Ų30.537%0.36916%0.164SC..  trans-93.2-12.6-179.3179.964.8000113.3F67 A124 K126F67-D69 HydrophobicContact CD1-CB 4.29Å; F67-D69 HydrophobicContact CE1-CB 3.93Å; D69-A124 PolarHBondContact N-O 2.89Å; D69-K126 VanDerWaalsContact O-CE 3.23Å; D69-K126 WeakPolarHBondContact O-CE 3.2Å; D69-K126 WeakPolarHBondContact O-CG 3.48Å; D69-K126 PolarHBondContact O-NZ 3.07Å; D69-K126 VanDerWaalsContact O-NZ 3.16Å; D69-K126 IonicContact OD1-NZ 3.1Å; D69-K126 PolarHBondContact OD1-NZ 3.43Å; D69-K126 IonicContact OD2-NZ 2.74Å; D69-K126 PolarHBondContact OD2-NZ 2.92Å
70G86.8Confident91.5Very high9 Ų929 Ų299%0.09315%0.146CC..SBendtrans-89.3155165.500000112.6L123G70-L123 VanDerWaalsContact CA-O 3.28Å; G70-L123 WeakPolarHBondContact CA-O 3.43Å; G70-L123 PolarHBondContact N-O 3.45Å; G70-L123 VanDerWaalsContact N-O 3.13Å
71A89.3Confident91.7Very high43 Ų4328.4 Ų28.436%0.35515%0.145SC..  trans-76.5-172.8170.100000112.1F75 E76 L123A71-F75 HydrophobicContact CB-CB 4.15Å; A71-E76 HydrophobicContact CB-CG 4.1Å; A71-E76 PolarHBondContact N-OE1 2.98Å; A71-L123 PolarHBondContact O-N 3.49Å
72D92.8Very high91.9Very high18 Ų1831.7 Ų31.710%0.09616%0.163CC..BIsolated β-bridgetrans-65.2150.3170.482.271.6000112.4C74 F75 E76 P118 V121 L122 R276D72-C74 PolarHBondContact O-N 3.13Å; D72-C74 VanDerWaalsContact O-N 3.11Å; D72-C74 PolarHBondContact OD1-N 2.88Å; D72-F75 PolarHBondContact O-N 2.81Å; D72-F75 WeakPolarHBondContact OD2-CD2 3.24Å; D72-E76 PolarHBondContact O-N 2.85Å; D72-E76 VanDerWaalsContact O-N 3.1Å; D72-P118 WeakPolarHBondContact CB-O 3.31Å; D72-V121 WeakPolarHBondContact CA-O 3.48Å; D72-L122 HydrophobicContact CB-CD2 3.9Å; D72-R276 VanDerWaalsContact CG-NH2 3.32Å; D72-R276 IonicContact OD1-CZ 3.83Å; D72-R276 IonicContact OD1-NH1 3.05Å; D72-R276 PolarHBondContact OD1-NH1 3.15Å; D72-R276 IonicContact OD1-NH2 2.88Å; D72-R276 PolarHBondContact OD1-NH2 3.18Å; D72-R276 IonicContact OD2-CZ 2.8Å; D72-R276 IonicContact OD2-NH1 3.16Å; D72-R276 PolarHBondContact OD2-NH1 3.12Å; D72-R276 IonicContact OD2-NH2 2.7Å; D72-R276 PolarHBondContact OD2-NH2 2.98Å
73L94.1Very high91.8Very high3 Ų333.7 Ų33.72%0.01619%0.189CC..Hα-helixtrans-54.8-37.6-166-17760.7000113F75 E76 I77 Y95 I99 V121 L123 V132 L186L73-F75 PolarHBondContact O-N 3.29Å; L73-E76 PolarHBondContact O-N 2.8Å; L73-I77 HydrophobicContact CD1-CD1 4.18Å; L73-I77 HydrophobicContact CD1-CG1 4.32Å; L73-I77 HydrophobicContact CG-CD1 3.89Å; L73-I77 HydrophobicContact CG-CG1 4.49Å; L73-I77 WeakPolarHBondContact O-CB 3.33Å; L73-I77 WeakPolarHBondContact O-CD1 3.31Å; L73-I77 WeakPolarHBondContact O-CG1 3.31Å; L73-I77 PolarHBondContact O-N 3.01Å; L73-Y95 HydrophobicContact CD1-CD1 4.17Å; L73-Y95 HydrophobicContact CD1-CD2 3.7Å; L73-Y95 HydrophobicContact CD1-CE1 4.18Å; L73-Y95 HydrophobicContact CD1-CE2 3.69Å; L73-Y95 HydrophobicContact CD1-CG 3.93Å; L73-Y95 HydrophobicContact CD2-CD2 4.07Å; L73-Y95 HydrophobicContact CD2-CG 4.06Å; L73-Y95 HydrophobicContact CG-CD2 4.29Å; L73-I99 HydrophobicContact CD2-CD1 4.27Å; L73-V121 HydrophobicContact CB-CB 4.45Å; L73-V121 HydrophobicContact CB-CG1 3.87Å; L73-V121 HydrophobicContact CD2-CG1 3.77Å; L73-V121 HydrophobicContact CG-CG1 4.46Å; L73-V121 PolarHBondContact N-O 3.32Å; L73-L123 HydrophobicContact CD1-CD1 3.69Å; L73-L123 HydrophobicContact CD1-CD2 4.43Å; L73-L123 HydrophobicContact CD1-CG 4.08Å; L73-V132 HydrophobicContact CD1-CG2 4.31Å; L73-L186 HydrophobicContact CD2-CD1 4.24Å; L73-L186 HydrophobicContact CD2-CD2 3.99Å; L73-L186 HydrophobicContact CG-CD2 4.3Å
74C93.8Very high91.6Very high3 Ų336.8 Ų36.82%0.0222%0.221CC..Hα-helixtrans-67.4-35.4179.5-66.40000112.3D72 L269 N273D72-C74 PolarHBondContact O-N 3.13Å; D72-C74 VanDerWaalsContact O-N 3.11Å; D72-C74 PolarHBondContact OD1-N 2.88Å; C74-L269 HydrophobicContact CB-CD2 4.21Å; C74-N273 VanDerWaalsContact CB-OD1 3.3Å; C74-N273 WeakPolarHBondContact CB-OD1 3.14Å; C74-N273 PolarHBondContact O-ND2 3.23Å
75F91.4Very high91.4Very high71 Ų7138.6 Ų38.631%0.31123%0.228SC..Hα-helixtrans-72.5-43.6174.9-82.2-92.3000111.9A71 D72 L73 I77 V78 K79 N273A71-F75 HydrophobicContact CB-CB 4.15Å; D72-F75 PolarHBondContact O-N 2.81Å; D72-F75 WeakPolarHBondContact OD2-CD2 3.24Å; L73-F75 PolarHBondContact O-N 3.29Å; F75-I77 VanDerWaalsContact C-N 3.35Å; F75-I77 PolarHBondContact O-N 3.11Å; F75-V78 PolarHBondContact O-N 2.88Å; F75-K79 VanDerWaalsContact O-CB 3.31Å; F75-K79 WeakPolarHBondContact O-CB 3.4Å; F75-K79 PolarHBondContact O-N 3.42Å; F75-N273 HydrophobicContact CD1-CB 4.04Å; F75-N273 HydrophobicContact CD2-CB 4.29Å; F75-N273 HydrophobicContact CE1-CB 3.71Å; F75-N273 HydrophobicContact CE2-CB 3.99Å; F75-N273 HydrophobicContact CG-CB 4.33Å; F75-N273 HydrophobicContact CZ-CB 3.69Å; F75-N273 WeakPolarHBondContact CZ-O 3.43Å
76E93Very high91.3Very high5 Ų541 Ų412%0.02325%0.245CC..Hα-helixtrans-65.8-34.1178.9-73.5-62.715100112.7A71 D72 L73 K79 R80 L123A71-E76 HydrophobicContact CB-CG 4.1Å; A71-E76 PolarHBondContact N-OE1 2.98Å; D72-E76 PolarHBondContact O-N 2.85Å; D72-E76 VanDerWaalsContact O-N 3.1Å; L73-E76 PolarHBondContact O-N 2.8Å; E76-K79 PolarHBondContact O-N 3.01Å; E76-K79 IonicContact OE1-NZ 3.26Å; E76-K79 PolarHBondContact OE1-NZ 3.14Å; E76-K79 IonicContact OE2-NZ 3.72Å; E76-K79 PolarHBondContact OE2-NZ 3.14Å; E76-R80 VanDerWaalsContact O-CB 3.26Å; E76-R80 WeakPolarHBondContact O-CB 3.22Å; E76-R80 WeakPolarHBondContact O-CD 2.97Å; E76-R80 WeakPolarHBondContact O-CG 3.2Å; E76-R80 PolarHBondContact O-N 3.5Å; E76-R80 IonicContact OE2-NE 2.67Å; E76-L123 HydrophobicContact CB-CD1 3.51Å; E76-L123 HydrophobicContact CG-CD1 3.84Å
77I94.4Very high91.4Very high3 Ų339.3 Ų39.32%0.01524%0.237CC..Hα-helixtrans-58.1-49.8173.6-74.8161.6000111.2L73 F75 R80 A81 Y87 Y95 L186 L269L73-I77 HydrophobicContact CD1-CD1 4.18Å; L73-I77 HydrophobicContact CD1-CG1 4.32Å; L73-I77 HydrophobicContact CG-CD1 3.89Å; L73-I77 HydrophobicContact CG-CG1 4.49Å; L73-I77 WeakPolarHBondContact O-CB 3.33Å; L73-I77 WeakPolarHBondContact O-CD1 3.31Å; L73-I77 WeakPolarHBondContact O-CG1 3.31Å; L73-I77 PolarHBondContact O-N 3.01Å; F75-I77 VanDerWaalsContact C-N 3.35Å; F75-I77 PolarHBondContact O-N 3.11Å; I77-R80 PolarHBondContact O-N 3.49Å; I77-A81 WeakPolarHBondContact O-CB 3.5Å; I77-A81 PolarHBondContact O-N 2.97Å; I77-Y87 HydrophobicContact CB-CD2 4.4Å; I77-Y87 HydrophobicContact CB-CE2 4.39Å; I77-Y87 HydrophobicContact CD1-CD2 4.38Å; I77-Y87 HydrophobicContact CD1-CE2 3.56Å; I77-Y87 HydrophobicContact CG1-CD2 3.99Å; I77-Y87 HydrophobicContact CG1-CE2 3.64Å; I77-Y87 HydrophobicContact CG2-CD1 3.87Å; I77-Y87 HydrophobicContact CG2-CD2 3.6Å; I77-Y87 HydrophobicContact CG2-CE1 4.04Å; I77-Y87 HydrophobicContact CG2-CE2 3.8Å; I77-Y87 HydrophobicContact CG2-CG 3.64Å; I77-Y95 HydrophobicContact CD1-CD2 4.39Å; I77-Y95 HydrophobicContact CD1-CE2 4.21Å; I77-Y95 HydrophobicContact CG1-CE2 4.02Å; I77-L186 HydrophobicContact CD1-CD2 3.5Å; I77-L269 HydrophobicContact CB-CD1 4.29Å; I77-L269 HydrophobicContact CD1-CD1 4.48Å; I77-L269 HydrophobicContact CG2-CD1 3.6Å
78V92.2Very high91.5Very high10 Ų1036.7 Ų36.76%0.06123%0.227CC..Hα-helixtrans-64.7-48.6179.6176.90000110.5F75 R80 A81 D82 L269 R270F75-V78 PolarHBondContact O-N 2.88Å; V78-R80 VanDerWaalsContact C-N 3.31Å; V78-R80 PolarHBondContact O-N 3.32Å; V78-A81 PolarHBondContact O-N 2.87Å; V78-A81 VanDerWaalsContact O-N 3.12Å; V78-D82 WeakPolarHBondContact CG1-OD2 3.42Å; V78-D82 WeakPolarHBondContact O-CB 3.47Å; V78-D82 VanDerWaalsContact O-CG 3.31Å; V78-D82 PolarHBondContact O-N 3.37Å; V78-L269 HydrophobicContact CG2-CB 3.58Å; V78-R270 HydrophobicContact CG1-CB 3.87Å; V78-R270 HydrophobicContact CG1-CG 3.86Å; V78-R270 HydrophobicContact CG2-CB 4.33Å
79K90.6Very high91.6Very high93 Ų9335.7 Ų35.740%0.40422%0.222SC..Hα-helixtrans-59.5-36.3178.9169.9171.1158.8-103.80113.3F75 E76 A83F75-K79 VanDerWaalsContact O-CB 3.31Å; F75-K79 WeakPolarHBondContact O-CB 3.4Å; F75-K79 PolarHBondContact O-N 3.42Å; E76-K79 PolarHBondContact O-N 3.01Å; E76-K79 IonicContact OE1-NZ 3.26Å; E76-K79 PolarHBondContact OE1-NZ 3.14Å; E76-K79 IonicContact OE2-NZ 3.72Å; E76-K79 PolarHBondContact OE2-NZ 3.14Å; K79-A83 PolarHBondContact O-N 3.41Å
80R91.4Very high91.8Very high12 Ų1232.9 Ų32.95%0.04521%0.208CC..Hα-helixtrans-72-43.3173.9-71.1167.9-171.1-149.6-11.9111E76 I77 V78 A83 G84 F85 Y95 S125 K126 E127E76-R80 VanDerWaalsContact O-CB 3.26Å; E76-R80 WeakPolarHBondContact O-CB 3.22Å; E76-R80 WeakPolarHBondContact O-CD 2.97Å; E76-R80 WeakPolarHBondContact O-CG 3.2Å; E76-R80 PolarHBondContact O-N 3.5Å; E76-R80 IonicContact OE2-NE 2.67Å; I77-R80 PolarHBondContact O-N 3.49Å; V78-R80 VanDerWaalsContact C-N 3.31Å; V78-R80 PolarHBondContact O-N 3.32Å; R80-A83 CarbonylContact O-C 3.51Å; R80-A83 WeakPolarHBondContact O-CA 3.4Å; R80-A83 WeakPolarHBondContact O-CB 3.25Å; R80-A83 PolarHBondContact O-N 3.43Å; R80-A83 VanDerWaalsContact O-N 3.08Å; R80-G84 PolarHBondContact O-N 3.35Å; R80-F85 HydrophobicContact CB-CB 3.78Å; R80-F85 HydrophobicContact CB-CD1 4.27Å; R80-F85 HydrophobicContact CB-CG 4.1Å; R80-F85 WeakPolarHBondContact O-CB 3.47Å; R80-F85 PolarHBondContact O-N 2.97Å; R80-Y95 PolarHBondContact NH1-OH 3.31Å; R80-S125 PolarHBondContact NH2-O 3.48Å; R80-K126 PolarHBondContact NH2-O 2.7Å; R80-E127 VanDerWaalsContact CZ-O 3.28Å; R80-E127 PolarHBondContact NH1-O 2.65Å; R80-E127 PolarHBondContact NH2-O 3.36Å
81A90.1Very high92.3Very high17 Ų1733.7 Ų33.714%0.1421%0.211CC..Hα-helixtrans-65.3-40.5178.500000112.7I77 V78 A83 G84 F85 V266I77-A81 WeakPolarHBondContact O-CB 3.5Å; I77-A81 PolarHBondContact O-N 2.97Å; V78-A81 PolarHBondContact O-N 2.87Å; V78-A81 VanDerWaalsContact O-N 3.12Å; A81-A83 PolarHBondContact O-N 3.05Å; A81-G84 WeakPolarHBondContact O-CA 3.22Å; A81-G84 PolarHBondContact O-N 2.94Å; A81-F85 WeakPolarHBondContact CA-O 3.3Å; A81-V266 HydrophobicContact CB-CB 4.38Å; A81-V266 HydrophobicContact CB-CG1 3.6Å; A81-V266 HydrophobicContact CB-CG2 3.82Å
82D87.4Confident92.6Very high98 Ų9831.6 Ų31.652%0.52419%0.194SC..Hα-helixtrans-62.8-21.8172.1-68.5-20.6000112.1V78 R270V78-D82 WeakPolarHBondContact CG1-OD2 3.42Å; V78-D82 WeakPolarHBondContact O-CB 3.47Å; V78-D82 VanDerWaalsContact O-CG 3.31Å; V78-D82 PolarHBondContact O-N 3.37Å; D82-R270 IonicContact OD1-CZ 2.86Å; D82-R270 IonicContact OD1-NE 2.75Å; D82-R270 IonicContact OD1-NH2 3.33Å; D82-R270 PolarHBondContact OD1-NH2 3.3Å; D82-R270 IonicContact OD2-NE 2.81Å
83A88.1Confident92.9Very high88 Ų8830.9 Ų30.973%0.72719%0.19SC*.THydrogen-bonded Turntrans-93.211.5170.600000114.1K79 R80 A81K79-A83 PolarHBondContact O-N 3.41Å; R80-A83 CarbonylContact O-C 3.51Å; R80-A83 WeakPolarHBondContact O-CA 3.4Å; R80-A83 WeakPolarHBondContact O-CB 3.25Å; R80-A83 PolarHBondContact O-N 3.43Å; R80-A83 VanDerWaalsContact O-N 3.08Å; A81-A83 PolarHBondContact O-N 3.05Å
84G87.3Confident93Very high65 Ų6534.6 Ų34.667%0.6721%0.208SC*.THydrogen-bonded Turntrans92.88175.500000116.3R80 A81R80-G84 PolarHBondContact O-N 3.35Å; A81-G84 WeakPolarHBondContact O-CA 3.22Å; A81-G84 PolarHBondContact O-N 2.94Å
85F90.3Very high93.2Very high51 Ų5134.8 Ų34.822%0.22421%0.208CC..  trans-75.9130.6178.8-179-90000113R80 A81 Y87 V91 N128R80-F85 HydrophobicContact CB-CB 3.78Å; R80-F85 HydrophobicContact CB-CD1 4.27Å; R80-F85 HydrophobicContact CB-CG 4.1Å; R80-F85 WeakPolarHBondContact O-CB 3.47Å; R80-F85 PolarHBondContact O-N 2.97Å; A81-F85 WeakPolarHBondContact CA-O 3.3Å; F85-Y87 PolarHBondContact O-N 3.23Å; F85-V91 HydrophobicContact CE1-CG1 4.1Å; F85-V91 HydrophobicContact CE1-CG2 4.08Å; F85-V91 HydrophobicContact CZ-CG1 4.29Å; F85-V91 HydrophobicContact CZ-CG2 3.98Å; F85-N128 HydrophobicContact CE2-CB 4.24Å
86V92.3Very high93.5Very high81 Ų8131.4 Ų31.449%0.49119%0.193SC..  trans-76.989.5177.5178.90000111.3H261V86-H261 HydrophobicContact CG1-CB 3.91Å
87Y96.1Very high93.7Very high0 Ų034.4 Ų34.40%020%0.204CC..  trans-69.6131.7167.5-170.9-110.4000111.2I77 F85 V91 Y95 L186 H261 L262 T265 V266 L269I77-Y87 HydrophobicContact CB-CD2 4.4Å; I77-Y87 HydrophobicContact CB-CE2 4.39Å; I77-Y87 HydrophobicContact CD1-CD2 4.38Å; I77-Y87 HydrophobicContact CD1-CE2 3.56Å; I77-Y87 HydrophobicContact CG1-CD2 3.99Å; I77-Y87 HydrophobicContact CG1-CE2 3.64Å; I77-Y87 HydrophobicContact CG2-CD1 3.87Å; I77-Y87 HydrophobicContact CG2-CD2 3.6Å; I77-Y87 HydrophobicContact CG2-CE1 4.04Å; I77-Y87 HydrophobicContact CG2-CE2 3.8Å; I77-Y87 HydrophobicContact CG2-CG 3.64Å; F85-Y87 PolarHBondContact O-N 3.23Å; Y87-V91 HydrophobicContact CD2-CB 4.23Å; Y87-V91 HydrophobicContact CD2-CG1 3.82Å; Y87-V91 HydrophobicContact CE2-CB 4.33Å; Y87-V91 HydrophobicContact CE2-CG1 3.87Å; Y87-Y95 HydrophobicContact CE2-CD2 4.42Å; Y87-Y95 HydrophobicContact CE2-CE2 4.12Å; Y87-L186 WeakPolarHBondContact CE1-O 3.33Å; Y87-L186 PolarHBondContact OH-O 2.9Å; Y87-H261 PolarHBondContact N-ND1 3.31Å; Y87-H261 WeakPolarHBondContact O-CA 3.33Å; Y87-H261 PolarHBondContact O-ND1 3.24Å; Y87-L262 PolarHBondContact O-N 3.27Å; Y87-T265 HydrophobicContact CD1-CG2 4.46Å; Y87-T265 HydrophobicContact CE1-CG2 3.98Å; Y87-V266 HydrophobicContact CD1-CG2 4.15Å; Y87-V266 HydrophobicContact CG-CG2 4.41Å; Y87-L269 HydrophobicContact CE1-CD1 4.46Å
88S95.9Very high93.9Very high8 Ų834.8 Ų34.86%0.05621%0.206CC..  trans-153.9167.9-171.457.80000111.9A90 V91 A92 I260S88-A90 VanDerWaalsContact C-N 3.26Å; S88-A90 PolarHBondContact O-N 3.09Å; S88-V91 WeakPolarHBondContact O-CB 3.5Å; S88-V91 PolarHBondContact O-N 3.47Å; S88-A92 PolarHBondContact O-N 3.32Å; S88-I260 WeakPolarHBondContact CA-O 3.4Å; S88-I260 WeakPolarHBondContact CB-O 3.26Å
89E96.1Very high94.2Very high2 Ų234.4 Ų34.41%0.00920%0.204CC..Hα-helixtrans-55.1-39.7174.6-86.1-174.5-118.200112.5V91 A92 S93 L187 I219 S220 W249 A257 Y258 L262E89-V91 PolarHBondContact O-N 2.92Å; E89-A92 PolarHBondContact O-N 3.16Å; E89-S93 VanDerWaalsContact O-CB 3.26Å; E89-S93 WeakPolarHBondContact O-CB 3.2Å; E89-S93 PolarHBondContact O-N 2.99Å; E89-L187 HydrophobicContact CG-CD2 3.92Å; E89-I219 HydrophobicContact CG-CD1 4.15Å; E89-I219 WeakPolarHBondContact OE1-CA 3.35Å; E89-S220 PolarHBondContact OE1-N 2.74Å; E89-S220 WeakPolarHBondContact OE2-CB 3.5Å; E89-S220 PolarHBondContact OE2-OG 2.81Å; E89-W249 HydrophobicContact CB-CZ2 4.14Å; E89-W249 HydrophobicContact CG-CZ2 4.29Å; E89-W249 WeakPolarHBondContact O-CZ2 3.37Å; E89-W249 PolarHBondContact OE2-NE1 2.79Å; E89-A257 HydrophobicContact CB-CB 4.22Å; E89-Y258 WeakPolarHBondContact CB-O 3.31Å; E89-Y258 PolarHBondContact N-O 3.17Å; E89-Y258 VanDerWaalsContact OE1-CD2 3.25Å; E89-Y258 WeakPolarHBondContact OE1-CD2 3.45Å; E89-L262 HydrophobicContact CG-CD1 4.38Å
90A95.6Very high94.6Very high11 Ų1130 Ų309%0.09118%0.184CC..Hα-helixtrans-62-30.6177.600000112.7S88 H94 R253 A257 Y258 K259S88-A90 VanDerWaalsContact C-N 3.26Å; S88-A90 PolarHBondContact O-N 3.09Å; A90-H94 PolarHBondContact O-N 2.86Å; A90-R253 HydrophobicContact CB-CG 4.41Å; A90-R253 WeakPolarHBondContact O-CD 3.46Å; A90-A257 HydrophobicContact CB-CB 4.42Å; A90-Y258 PolarHBondContact N-O 3Å; A90-K259 HydrophobicContact CB-CG 3.8Å
91V95.6Very high94.9Very high25 Ų2531.1 Ų31.115%0.15219%0.19CC..Hα-helixtrans-76.6-44.3173.3176.40000110.7F85 Y87 S88 E89 S93 H94 Y95F85-V91 HydrophobicContact CE1-CG1 4.1Å; F85-V91 HydrophobicContact CE1-CG2 4.08Å; F85-V91 HydrophobicContact CZ-CG1 4.29Å; F85-V91 HydrophobicContact CZ-CG2 3.98Å; Y87-V91 HydrophobicContact CD2-CB 4.23Å; Y87-V91 HydrophobicContact CD2-CG1 3.82Å; Y87-V91 HydrophobicContact CE2-CB 4.33Å; Y87-V91 HydrophobicContact CE2-CG1 3.87Å; S88-V91 WeakPolarHBondContact O-CB 3.5Å; S88-V91 PolarHBondContact O-N 3.47Å; E89-V91 PolarHBondContact O-N 2.92Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-S93 PolarHBondContact O-N 3.19Å; V91-H94 PolarHBondContact O-N 3.38Å; V91-Y95 HydrophobicContact CG1-CD2 3.93Å; V91-Y95 HydrophobicContact CG1-CE2 3.34Å; V91-Y95 WeakPolarHBondContact O-CD2 3.35Å; V91-Y95 PolarHBondContact O-N 3.42Å
92A97.2Very high95.3Very high0 Ų030.3 Ų30.30%018%0.183CC..Hα-helixtrans-58.3-44.4174.900000112S88 E89 H94 Y95 M96 L186 L187 W249S88-A92 PolarHBondContact O-N 3.32Å; E89-A92 PolarHBondContact O-N 3.16Å; A92-H94 PolarHBondContact O-N 3.12Å; A92-Y95 PolarHBondContact O-N 3.46Å; A92-M96 VanDerWaalsContact O-CB 3.28Å; A92-M96 WeakPolarHBondContact O-CB 3.43Å; A92-M96 PolarHBondContact O-N 2.78Å; A92-L186 HydrophobicContact CB-CB 4.42Å; A92-L187 HydrophobicContact CB-CD2 4.28Å; A92-W249 HydrophobicContact CB-CH2 4.04Å; A92-W249 HydrophobicContact CB-CZ2 4.38Å
93S97.9Very high95.8Very high2 Ų225.7 Ų25.71%0.01416%0.159CC..Hα-helixtrans-59.3-42.1174.2169.60000112E89 V91 M96 R97 W249 L250 R253E89-S93 VanDerWaalsContact O-CB 3.26Å; E89-S93 WeakPolarHBondContact O-CB 3.2Å; E89-S93 PolarHBondContact O-N 2.99Å; V91-S93 VanDerWaalsContact C-N 3.34Å; V91-S93 PolarHBondContact O-N 3.19Å; S93-M96 PolarHBondContact O-N 3.42Å; S93-R97 WeakPolarHBondContact O-CB 3.44Å; S93-R97 PolarHBondContact O-N 3.15Å; S93-W249 VanDerWaalsContact CA-CH2 3.42Å; S93-W249 VanDerWaalsContact N-CH2 3.29Å; S93-W249 PolarHBondContact OG-O 3.27Å; S93-L250 WeakPolarHBondContact O-CD2 3.2Å; S93-R253 WeakPolarHBondContact OG-CG 3.46Å
94H96.1Very high96.3Very high82 Ų8225.4 Ų25.438%0.3814%0.139SC..Hα-helixtrans-64.7-42.8176.8-176.846.4000113.1A90 V91 A92 Q98A90-H94 PolarHBondContact O-N 2.86Å; V91-H94 PolarHBondContact O-N 3.38Å; A92-H94 PolarHBondContact O-N 3.12Å; H94-Q98 PolarHBondContact CE1-NE2 2.9Å; H94-Q98 PolarHBondContact NE2-NE2 2.99Å; H94-Q98 VanDerWaalsContact NE2-NE2 3.17Å; H94-Q98 PolarHBondContact O-N 3.36Å
95Y97.6Very high96.9Very high6 Ų624.9 Ų24.92%0.02412%0.117CC..Hα-helixtrans-68.4-44175-61.1-39.1000112L73 I77 R80 Y87 V91 A92 R97 Q98 I99 L123 V132L73-Y95 HydrophobicContact CD1-CD1 4.17Å; L73-Y95 HydrophobicContact CD1-CD2 3.7Å; L73-Y95 HydrophobicContact CD1-CE1 4.18Å; L73-Y95 HydrophobicContact CD1-CE2 3.69Å; L73-Y95 HydrophobicContact CD1-CG 3.93Å; L73-Y95 HydrophobicContact CD2-CD2 4.07Å; L73-Y95 HydrophobicContact CD2-CG 4.06Å; L73-Y95 HydrophobicContact CG-CD2 4.29Å; I77-Y95 HydrophobicContact CD1-CD2 4.39Å; I77-Y95 HydrophobicContact CD1-CE2 4.21Å; I77-Y95 HydrophobicContact CG1-CE2 4.02Å; R80-Y95 PolarHBondContact NH1-OH 3.31Å; Y87-Y95 HydrophobicContact CE2-CD2 4.42Å; Y87-Y95 HydrophobicContact CE2-CE2 4.12Å; V91-Y95 HydrophobicContact CG1-CD2 3.93Å; V91-Y95 HydrophobicContact CG1-CE2 3.34Å; V91-Y95 WeakPolarHBondContact O-CD2 3.35Å; V91-Y95 PolarHBondContact O-N 3.42Å; A92-Y95 PolarHBondContact O-N 3.46Å; Y95-R97 VanDerWaalsContact C-N 3.31Å; Y95-R97 PolarHBondContact O-N 2.8Å; Y95-Q98 PolarHBondContact O-N 2.85Å; Y95-Q98 VanDerWaalsContact O-N 3.15Å; Y95-I99 WeakPolarHBondContact O-CG1 3.2Å; Y95-I99 PolarHBondContact O-N 2.81Å; Y95-I99 VanDerWaalsContact O-N 3.14Å; Y95-L123 HydrophobicContact CE1-CD2 4.34Å; Y95-V132 HydrophobicContact CD1-CG2 3.51Å; Y95-V132 HydrophobicContact CE1-CG2 4.21Å; Y95-V132 HydrophobicContact CG-CG2 4.12Å
96M98.3Very high97.2Very high0 Ų022.4 Ų22.40%011%0.106CC..Hα-helixtrans-63.2-36.9-179.1-163.870.7-114.400112.1A92 S93 I99 L100 C179 L183 L186 W249 L250A92-M96 VanDerWaalsContact O-CB 3.28Å; A92-M96 WeakPolarHBondContact O-CB 3.43Å; A92-M96 PolarHBondContact O-N 2.78Å; S93-M96 PolarHBondContact O-N 3.42Å; M96-I99 HydrophobicContact CE-CB 3.94Å; M96-I99 HydrophobicContact CE-CD1 4.29Å; M96-I99 HydrophobicContact CE-CG2 3.81Å; M96-I99 PolarHBondContact O-N 3.12Å; M96-L100 HydrophobicContact CE-CD1 4.15Å; M96-L100 HydrophobicContact CE-CD2 4.26Å; M96-L100 HydrophobicContact CE-CG 3.82Å; M96-L100 HydrophobicContact CG-CD1 4.03Å; M96-L100 WeakPolarHBondContact O-CB 3.34Å; M96-L100 WeakPolarHBondContact O-CG 3.49Å; M96-L100 PolarHBondContact O-N 2.72Å; M96-C179 HydrophobicContact CE-CB 3.67Å; M96-L183 HydrophobicContact CB-CD1 4.42Å; M96-L183 HydrophobicContact CG-CD1 4.04Å; M96-L183 HydrophobicContact SD-CB 3.82Å; M96-L183 HydrophobicContact SD-CD1 4.19Å; M96-L183 HydrophobicContact SD-CG 4.47Å; M96-L186 HydrophobicContact SD-CD1 4.43Å; M96-W249 HydrophobicContact CB-CZ3 4.34Å; M96-L250 HydrophobicContact CB-CD2 4.17Å
97R98.1Very high97.5Very high69 Ų6918.8 Ų18.826%0.268%0.084SC..Hα-helixtrans-55.4-50.7170.7167174-79.5-83.1-0.3111.9S93 Y95 I99 L100 E101 L245 L250S93-R97 WeakPolarHBondContact O-CB 3.44Å; S93-R97 PolarHBondContact O-N 3.15Å; Y95-R97 VanDerWaalsContact C-N 3.31Å; Y95-R97 PolarHBondContact O-N 2.8Å; R97-I99 PolarHBondContact O-N 2.68Å; R97-L100 CarbonylContact O-C 3.59Å; R97-L100 PolarHBondContact O-N 2.71Å; R97-E101 WeakPolarHBondContact CD-OE1 3.11Å; R97-E101 VanDerWaalsContact CG-CD 3.42Å; R97-E101 HydrophobicContact CG-CG 4.37Å; R97-E101 WeakPolarHBondContact CG-OE1 3.45Å; R97-E101 WeakPolarHBondContact CG-OE2 3.32Å; R97-E101 IonicContact CZ-OE1 2.76Å; R97-E101 IonicContact NE-OE1 2.68Å; R97-E101 IonicContact NH1-OE1 2.76Å; R97-E101 PolarHBondContact NH1-OE1 2.91Å; R97-E101 WeakPolarHBondContact O-CB 3.38Å; R97-E101 WeakPolarHBondContact O-CG 3.45Å; R97-E101 PolarHBondContact O-N 2.98Å; R97-L245 HydrophobicContact CG-CD2 4.39Å; R97-L250 HydrophobicContact CB-CD2 4.44Å; R97-L250 PolarHBondContact NE-O 3.21Å; R97-L250 PolarHBondContact NH2-O 2.92Å
98Q98.2Very high97.5Very high10 Ų1022.6 Ų22.65%0.04710%0.104CC..Hα-helixtrans-63.7-40.2-177.6-66.8178.34600112.1H47 H94 Y95 E101 A102 V132H47-Q98 PolarHBondContact CE1-OE1 3.03Å; H47-Q98 PolarHBondContact ND1-OE1 2.88Å; H94-Q98 PolarHBondContact CE1-NE2 2.9Å; H94-Q98 PolarHBondContact NE2-NE2 2.99Å; H94-Q98 VanDerWaalsContact NE2-NE2 3.17Å; H94-Q98 PolarHBondContact O-N 3.36Å; Y95-Q98 PolarHBondContact O-N 2.85Å; Y95-Q98 VanDerWaalsContact O-N 3.15Å; Q98-E101 PolarHBondContact O-N 2.76Å; Q98-A102 PolarHBondContact O-N 2.87Å; Q98-V132 HydrophobicContact CB-CB 4.17Å
99I98.6Very high97.6Very high3 Ų324.8 Ų24.82%0.01512%0.115CC..Hα-helixtrans-62.8-42.5175.2-61.9163.1000110.8L73 Y95 M96 R97 A102 L103 V121 V132 I182L73-I99 HydrophobicContact CD2-CD1 4.27Å; Y95-I99 WeakPolarHBondContact O-CG1 3.2Å; Y95-I99 PolarHBondContact O-N 2.81Å; Y95-I99 VanDerWaalsContact O-N 3.14Å; M96-I99 HydrophobicContact CE-CB 3.94Å; M96-I99 HydrophobicContact CE-CD1 4.29Å; M96-I99 HydrophobicContact CE-CG2 3.81Å; M96-I99 PolarHBondContact O-N 3.12Å; R97-I99 PolarHBondContact O-N 2.68Å; I99-A102 WeakPolarHBondContact O-CB 3.43Å; I99-A102 PolarHBondContact O-N 2.79Å; I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 PolarHBondContact O-N 3.28Å; I99-V121 HydrophobicContact CD1-CG1 3.59Å; I99-V121 HydrophobicContact CD1-CG2 4.27Å; I99-V121 HydrophobicContact CG1-CG1 3.87Å; I99-V132 HydrophobicContact CD1-CG1 4.39Å; I99-V132 HydrophobicContact CG1-CG1 3.78Å; I99-I182 HydrophobicContact CD1-CG2 4.44Å
100L98.6Very high97.6Very high0 Ų028.1 Ų28.10%013%0.133CC..Hα-helixtrans-74.1-29.9178-69.9166.2000112.5M96 R97 L103 R104 C179 M230 V241 A244 L245 L250M96-L100 HydrophobicContact CE-CD1 4.15Å; M96-L100 HydrophobicContact CE-CD2 4.26Å; M96-L100 HydrophobicContact CE-CG 3.82Å; M96-L100 HydrophobicContact CG-CD1 4.03Å; M96-L100 WeakPolarHBondContact O-CB 3.34Å; M96-L100 WeakPolarHBondContact O-CG 3.49Å; M96-L100 PolarHBondContact O-N 2.72Å; R97-L100 CarbonylContact O-C 3.59Å; R97-L100 PolarHBondContact O-N 2.71Å; L100-L103 HydrophobicContact CD2-CD2 4.46Å; L100-L103 PolarHBondContact O-N 3.11Å; L100-R104 WeakPolarHBondContact O-CB 3.42Å; L100-R104 PolarHBondContact O-N 2.98Å; L100-C179 HydrophobicContact CD2-CB 4.08Å; L100-M230 HydrophobicContact CD1-CE 4.34Å; L100-M230 HydrophobicContact CD2-CE 3.97Å; L100-V241 HydrophobicContact CB-CG2 4.17Å; L100-V241 HydrophobicContact CD2-CG2 3.98Å; L100-V241 WeakPolarHBondContact O-CG2 3.45Å; L100-A244 HydrophobicContact CD1-CB 4.14Å; L100-L245 HydrophobicContact CB-CD1 4.45Å; L100-L245 HydrophobicContact CB-CD2 3.61Å; L100-L245 HydrophobicContact CB-CG 3.9Å; L100-L250 HydrophobicContact CD1-CD1 3.41Å; L100-L250 VanDerWaalsContact CD1-CD1 3.41Å
101E98.5Very high97.7Very high36 Ų3627.6 Ų27.617%0.16813%0.129CC..Hα-helixtrans-67.5-39.7171.6-79.5160.517700111.3H45 R97 Q98 Y105 L245H45-E101 PolarHBondContact CE1-O 3.43Å; R97-E101 WeakPolarHBondContact CD-OE1 3.11Å; R97-E101 VanDerWaalsContact CG-CD 3.42Å; R97-E101 HydrophobicContact CG-CG 4.37Å; R97-E101 WeakPolarHBondContact CG-OE1 3.45Å; R97-E101 WeakPolarHBondContact CG-OE2 3.32Å; R97-E101 IonicContact CZ-OE1 2.76Å; R97-E101 IonicContact NE-OE1 2.68Å; R97-E101 IonicContact NH1-OE1 2.76Å; R97-E101 PolarHBondContact NH1-OE1 2.91Å; R97-E101 WeakPolarHBondContact O-CB 3.38Å; R97-E101 WeakPolarHBondContact O-CG 3.45Å; R97-E101 PolarHBondContact O-N 2.98Å; Q98-E101 PolarHBondContact O-N 2.76Å; E101-Y105 PolarHBondContact O-N 2.8Å; E101-L245 HydrophobicContact CG-CD1 4.1Å; E101-L245 HydrophobicContact CG-CD2 3.84Å
102A98.3Very high97.7Very high0 Ų026.4 Ų26.40%012%0.121CC..Hα-helixtrans-62.3-47.5168.800000112.2H47 I48 Q98 I99 R104 Y105 C106 L134H47-A102 HydrophobicContact CB-CB 3.82Å; H47-A102 WeakPolarHBondContact O-CB 3.33Å; I48-A102 HydrophobicContact CG1-CB 3.9Å; Q98-A102 PolarHBondContact O-N 2.87Å; I99-A102 WeakPolarHBondContact O-CB 3.43Å; I99-A102 PolarHBondContact O-N 2.79Å; A102-R104 VanDerWaalsContact C-N 3.33Å; A102-R104 PolarHBondContact O-N 3.01Å; A102-Y105 PolarHBondContact O-N 2.82Å; A102-C106 PolarHBondContact O-N 2.67Å; A102-C106 VanDerWaalsContact O-N 3.12Å; A102-C106 PolarHBondContact O-SG 2.75Å; A102-L134 HydrophobicContact CB-CB 4.09Å; A102-L134 HydrophobicContact CB-CD2 4.22Å
103L98.3Very high97.7Very high1 Ų126.4 Ų26.41%0.00512%0.122CC..Hα-helixtrans-65.2-37.4-179.5-175.962.4000112.2I99 L100 Y105 C106 H107 D175 V176 V241I99-L103 WeakPolarHBondContact O-CB 3.41Å; I99-L103 PolarHBondContact O-N 3.28Å; L100-L103 HydrophobicContact CD2-CD2 4.46Å; L100-L103 PolarHBondContact O-N 3.11Å; L103-Y105 VanDerWaalsContact C-N 3.32Å; L103-Y105 PolarHBondContact O-N 2.84Å; L103-C106 WeakPolarHBondContact O-CB 3.45Å; L103-C106 PolarHBondContact O-N 2.86Å; L103-H107 WeakPolarHBondContact CD1-NE2 3.44Å; L103-H107 WeakPolarHBondContact O-CB 3.2Å; L103-H107 PolarHBondContact O-N 2.89Å; L103-D175 HydrophobicContact CD1-CB 3.52Å; L103-D175 HydrophobicContact CD2-CB 3.63Å; L103-D175 HydrophobicContact CG-CB 4.16Å; L103-V176 HydrophobicContact CD2-CG2 4.36Å; L103-V241 HydrophobicContact CB-CG2 4.23Å; L103-V241 HydrophobicContact CD2-CG2 4.39Å; L103-V241 HydrophobicContact CG-CG2 4.34Å
104R98.5Very high97.6Very high82 Ų8228.3 Ų28.331%0.30913%0.128SC..Hα-helixtrans-57.4-48.2173.5-169.6-163.666.2-137.3-12.6110L100 A102 C106 H107 D108 V241 Y242 L245L100-R104 WeakPolarHBondContact O-CB 3.42Å; L100-R104 PolarHBondContact O-N 2.98Å; A102-R104 VanDerWaalsContact C-N 3.33Å; A102-R104 PolarHBondContact O-N 3.01Å; R104-C106 VanDerWaalsContact C-N 3.32Å; R104-C106 PolarHBondContact O-N 2.86Å; R104-H107 CarbonylContact O-C 3.58Å; R104-H107 WeakPolarHBondContact O-CA 3.18Å; R104-H107 WeakPolarHBondContact O-CB 3.43Å; R104-H107 PolarHBondContact O-N 2.72Å; R104-D108 IonicContact NE-OD2 2.76Å; R104-D108 VanDerWaalsContact O-CG 3.26Å; R104-D108 PolarHBondContact O-N 3.11Å; R104-D108 VanDerWaalsContact O-OD2 3.06Å; R104-V241 HydrophobicContact CB-CG1 4.13Å; R104-V241 HydrophobicContact CB-CG2 3.94Å; R104-V241 HydrophobicContact CG-CG1 4.16Å; R104-Y242 HydrophobicContact CG-CD1 3.78Å; R104-Y242 HydrophobicContact CG-CE1 3.42Å; R104-Y242 VanDerWaalsContact CG-CE1 3.42Å; R104-L245 HydrophobicContact CB-CD1 4.1Å
105Y98.4Very high97.5Very high53 Ų5325.3 Ų25.321%0.20812%0.115CC..Hα-helixtrans-60.9-37.1178.1-179.8-90.1000113L43 K44 H45 I48 E101 A102 L103 N109L43-Y105 HydrophobicContact CB-CE1 4.49Å; L43-Y105 HydrophobicContact CD2-CD1 3.87Å; L43-Y105 HydrophobicContact CD2-CE1 3.71Å; K44-Y105 PolarHBondContact N-OH 2.76Å; K44-Y105 PolarHBondContact O-OH 3.05Å; H45-Y105 HydrophobicContact CB-CD1 3.72Å; H45-Y105 HydrophobicContact CB-CD2 4.32Å; H45-Y105 HydrophobicContact CB-CE1 3.96Å; H45-Y105 HydrophobicContact CB-CG 3.9Å; H45-Y105 AromaticContact CD2-CD2 3.76Å; H45-Y105 AromaticContact CD2-CG 3.73Å; H45-Y105 AromaticContact CG-CG 3.87Å; I48-Y105 HydrophobicContact CD1-CD1 3.74Å; I48-Y105 HydrophobicContact CD1-CE1 4.37Å; E101-Y105 PolarHBondContact O-N 2.8Å; A102-Y105 PolarHBondContact O-N 2.82Å; L103-Y105 VanDerWaalsContact C-N 3.32Å; L103-Y105 PolarHBondContact O-N 2.84Å; Y105-N109 PolarHBondContact O-N 3.44Å; Y105-N109 PolarHBondContact O-ND2 3.3Å
106C98Very high97.4Very high0 Ų025.2 Ų25.20%012%0.115CC..Hα-helixtrans-61.5-47.7169.6-61.50000111.4A102 L103 R104 D108 N109 N110 I111A102-C106 PolarHBondContact O-N 2.67Å; A102-C106 VanDerWaalsContact O-N 3.12Å; A102-C106 PolarHBondContact O-SG 2.75Å; L103-C106 WeakPolarHBondContact O-CB 3.45Å; L103-C106 PolarHBondContact O-N 2.86Å; R104-C106 VanDerWaalsContact C-N 3.32Å; R104-C106 PolarHBondContact O-N 2.86Å; C106-D108 PolarHBondContact O-N 3.43Å; C106-N109 CarbonylContact O-C 3.57Å; C106-N109 PolarHBondContact O-N 2.84Å; C106-N109 VanDerWaalsContact O-N 3.12Å; C106-N110 PolarHBondContact O-N 2.81Å; C106-I111 CarbonylContact C-O 3.59Å; C106-I111 VanDerWaalsContact C-O 3.25Å; C106-I111 HydrophobicContact CB-CB 4.4Å; C106-I111 HydrophobicContact CB-CG2 4.5Å; C106-I111 WeakPolarHBondContact CB-O 3.38Å; C106-I111 PolarHBondContact O-N 2.84Å
107H97.5Very high97.2Very high4 Ų427 Ų272%0.01912%0.123CC..Hα-helixtrans-67.4-31.8-179-74.5-170.4000113.5L103 R104 N109 N110 I111 K172 D175 V241L103-H107 WeakPolarHBondContact CD1-NE2 3.44Å; L103-H107 WeakPolarHBondContact O-CB 3.2Å; L103-H107 PolarHBondContact O-N 2.89Å; R104-H107 CarbonylContact O-C 3.58Å; R104-H107 WeakPolarHBondContact O-CA 3.18Å; R104-H107 WeakPolarHBondContact O-CB 3.43Å; R104-H107 PolarHBondContact O-N 2.72Å; H107-N109 VanDerWaalsContact C-N 3.31Å; H107-N110 PolarHBondContact O-N 2.78Å; H107-I111 PolarHBondContact CD2-O 2.87Å; H107-K172 HydrophobicContact CB-CD 4.05Å; H107-K172 PolarHBondContact CE1-O 2.87Å; H107-K172 WeakPolarHBondContact O-CE 3.34Å; H107-K172 PolarHBondContact O-NZ 2.86Å; H107-D175 IonicContact CD2-OD2 3.43Å; H107-D175 IonicContact CE1-OD2 2.73Å; H107-D175 IonicContact NE2-OD2 3.74Å; H107-D175 PolarHBondContact NE2-OD2 2.94Å; H107-V241 HydrophobicContact CB-CG1 4.31Å
108D97.2Very high96.9Very high81 Ų8123.9 Ų23.943%0.43311%0.112SC..Hα-helixtrans-60-42.7170-71.6-49.7000109.7R104 C106 N110 Y242R104-D108 IonicContact NE-OD2 2.76Å; R104-D108 VanDerWaalsContact O-CG 3.26Å; R104-D108 PolarHBondContact O-N 3.11Å; R104-D108 VanDerWaalsContact O-OD2 3.06Å; C106-D108 PolarHBondContact O-N 3.43Å; D108-N110 PolarHBondContact O-N 3.05Å; D108-Y242 PolarHBondContact OD1-OH 3.27Å; D108-Y242 VanDerWaalsContact OD1-OH 3.09Å
109N96.4Very high96.4Very high53 Ų5328.6 Ų28.628%0.28313%0.133SC..THydrogen-bonded Turntrans-82.611177.6-72.9-83.6000114.4Y105 C106 H107 I111 Q142Y105-N109 PolarHBondContact O-N 3.44Å; Y105-N109 PolarHBondContact O-ND2 3.3Å; C106-N109 CarbonylContact O-C 3.57Å; C106-N109 PolarHBondContact O-N 2.84Å; C106-N109 VanDerWaalsContact O-N 3.12Å; H107-N109 VanDerWaalsContact C-N 3.31Å; N109-I111 HydrophobicContact CB-CD1 4.02Å; N109-I111 HydrophobicContact CB-CG1 4.46Å; N109-I111 PolarHBondContact O-N 3Å; N109-Q142 PolarHBondContact O-NE2 3.42Å
110N96.8Very high96.2Very high72 Ų7228.8 Ų28.839%0.38514%0.135SC..THydrogen-bonded Turntrans58.418.2-173.6-69.9-35.9000115.4C106 H107 D108 Q142 L143 K172C106-N110 PolarHBondContact O-N 2.81Å; H107-N110 PolarHBondContact O-N 2.78Å; D108-N110 PolarHBondContact O-N 3.05Å; N110-Q142 HydrophobicContact CB-CG 4.42Å; N110-L143 HydrophobicContact CB-CB 4.36Å; N110-L143 WeakPolarHBondContact O-CB 3.23Å; N110-L143 WeakPolarHBondContact O-CG 3.27Å; N110-L143 PolarHBondContact O-N 2.85Å; N110-K172 WeakPolarHBondContact OD1-CE 3.25Å; N110-K172 PolarHBondContact OD1-NZ 2.92Å
111I97.1Very high96.1Very high0 Ų028.9 Ų28.90%014%0.136CC..EExtended strand (participates in β ladder)trans-91.3131.5177.2-66.5158.6000109.9I39 M42 L43 C106 H107 N109 A140 I141 Q142I39-I111 HydrophobicContact CD1-CG2 4.5Å; I39-I111 HydrophobicContact CG1-CD1 4.5Å; I39-I111 HydrophobicContact CG2-CD1 4.26Å; I39-I111 HydrophobicContact CG2-CG2 3.9Å; M42-I111 HydrophobicContact CE-CD1 4.49Å; L43-I111 HydrophobicContact CD1-CD1 4.45Å; L43-I111 HydrophobicContact CD2-CD1 3.81Å; L43-I111 HydrophobicContact CG-CD1 4.07Å; C106-I111 CarbonylContact C-O 3.59Å; C106-I111 VanDerWaalsContact C-O 3.25Å; C106-I111 HydrophobicContact CB-CB 4.4Å; C106-I111 HydrophobicContact CB-CG2 4.5Å; C106-I111 WeakPolarHBondContact CB-O 3.38Å; C106-I111 PolarHBondContact O-N 2.84Å; H107-I111 PolarHBondContact CD2-O 2.87Å; N109-I111 HydrophobicContact CB-CD1 4.02Å; N109-I111 HydrophobicContact CB-CG1 4.46Å; N109-I111 PolarHBondContact O-N 3Å; I111-A140 HydrophobicContact CG2-CB 4.42Å; I111-I141 WeakPolarHBondContact CA-O 3.03Å; I111-Q142 HydrophobicContact CG1-CB 4.05Å; I111-Q142 HydrophobicContact CG1-CG 4.03Å
112I97.1Very high96Very high0 Ų029.3 Ų29.30%014%0.139CC..EExtended strand (participates in β ladder)trans-111.9142.9169.460.6167.9000110.7R114 A140 I141 L143 V149 Y170 K172 D175I112-R114 HydrophobicContact CB-CG 4.48Å; I112-R114 HydrophobicContact CD1-CG 3.79Å; I112-R114 HydrophobicContact CG1-CG 3.91Å; I112-A140 VanDerWaalsContact O-CA 3.25Å; I112-A140 WeakPolarHBondContact O-CA 3.39Å; I112-A140 WeakPolarHBondContact O-CB 3.36Å; I112-I141 HydrophobicContact CD1-CG2 4.01Å; I112-I141 HydrophobicContact CG1-CG2 3.62Å; I112-I141 PolarHBondContact N-O 2.83Å; I112-I141 PolarHBondContact O-N 2.9Å; I112-L143 HydrophobicContact CD1-CD2 3.96Å; I112-L143 HydrophobicContact CG1-CD2 4.26Å; I112-L143 HydrophobicContact CG1-CG 4.4Å; I112-L143 HydrophobicContact CG2-CD1 3.75Å; I112-L143 HydrophobicContact CG2-CG 4.26Å; I112-V149 HydrophobicContact CD1-CG1 4.44Å; I112-V149 HydrophobicContact CD1-CG2 4.5Å; I112-Y170 HydrophobicContact CD1-CD2 4.21Å; I112-Y170 HydrophobicContact CD1-CE2 4.07Å; I112-K172 HydrophobicContact CG2-CB 4.31Å; I112-K172 HydrophobicContact CG2-CG 3.83Å; I112-D175 VanDerWaalsContact CA-OD2 3.27Å; I112-D175 WeakPolarHBondContact CA-OD2 3.43Å; I112-D175 WeakPolarHBondContact CB-OD2 3.29Å
113H97.2Very high95.9Very high1 Ų129.3 Ų29.31%0.00514%0.139CC..  trans-89.1-36.5-171.3-174.9-34.2000112.6D115 V116 G135 G136 F137 D175H113-D115 PolarHBondContact O-N 2.79Å; H113-D115 VanDerWaalsContact O-N 3.08Å; H113-V116 HydrophobicContact CB-CG2 3.79Å; H113-G135 PolarHBondContact NE2-O 3.23Å; H113-G136 PolarHBondContact CE1-O 3.13Å; H113-G136 VanDerWaalsContact CE1-O 3.32Å; H113-F137 AromaticContact CD2-CE1 3.77Å; H113-D175 PolarHBondContact N-OD1 3.2Å; H113-D175 VanDerWaalsContact N-OD1 3.1Å; H113-D175 PolarHBondContact N-OD2 2.91Å
114R94.7Very high95.6Very high41 Ų4130.3 Ų30.316%0.15515%0.147CC..SBendtrans62.94.1176.6-48.9-167.5-68.7179.1-6.9117.1I112 V139 V154 G155 Y170 D175I112-R114 HydrophobicContact CB-CG 4.48Å; I112-R114 HydrophobicContact CD1-CG 3.79Å; I112-R114 HydrophobicContact CG1-CG 3.91Å; R114-V139 HydrophobicContact CB-CG2 4.41Å; R114-V139 VanDerWaalsContact CZ-O 3.22Å; R114-V139 PolarHBondContact NE-O 3.04Å; R114-V139 PolarHBondContact NH2-O 3.01Å; R114-V154 HydrophobicContact CB-CG1 4.34Å; R114-G155 WeakPolarHBondContact O-CA 3.5Å; R114-Y170 WeakPolarHBondContact CD-OH 3.42Å; R114-Y170 HydrophobicContact CG-CE2 4.17Å; R114-Y170 PolarHBondContact NH1-OH 3.25Å; R114-Y170 VanDerWaalsContact NH1-OH 3.13Å; R114-D175 PolarHBondContact N-OD1 2.9Å
115D93.9Very high95.3Very high19 Ų1927.8 Ų27.810%0.10214%0.142CC..  trans-151.937.5-178-164.932.8000112.6H113 K117 V139 G155 T156H113-D115 PolarHBondContact O-N 2.79Å; H113-D115 VanDerWaalsContact O-N 3.08Å; D115-K117 PolarHBondContact O-N 3.38Å; D115-K117 WeakPolarHBondContact OD1-CD 3.39Å; D115-K117 IonicContact OD1-NZ 3.77Å; D115-K117 PolarHBondContact OD1-NZ 3.48Å; D115-K117 WeakPolarHBondContact OD2-CE 3.31Å; D115-K117 IonicContact OD2-NZ 3.84Å; D115-K117 PolarHBondContact OD2-NZ 3.15Å; D115-V139 HydrophobicContact CB-CG2 3.59Å; D115-G155 WeakPolarHBondContact OD1-CA 3.49Å; D115-T156 VanDerWaalsContact OD1-CB 3.31Å; D115-T156 WeakPolarHBondContact OD1-CB 3.5Å; D115-T156 PolarHBondContact OD1-N 3.37Å; D115-T156 PolarHBondContact OD1-OG1 3.29Å
116V96Very high94.8Very high4 Ų430.2 Ų30.22%0.02415%0.154CC..  trans-67.9100.9-179-178.70000110.2H113 F159 D175 I182H113-V116 HydrophobicContact CB-CG2 3.79Å; V116-F159 WeakPolarHBondContact O-CD1 3.49Å; V116-D175 HydrophobicContact CG2-CB 4.16Å; V116-I182 HydrophobicContact CG1-CD1 3.73Å
117K93.5Very high94.3Very high38 Ų3836 Ų3617%0.16518%0.181CC..  trans-141.3166.1-175.973.3-160178.4-167.80111.8D115 H119 C120 T156 F159D115-K117 PolarHBondContact O-N 3.38Å; D115-K117 WeakPolarHBondContact OD1-CD 3.39Å; D115-K117 IonicContact OD1-NZ 3.77Å; D115-K117 PolarHBondContact OD1-NZ 3.48Å; D115-K117 WeakPolarHBondContact OD2-CE 3.31Å; D115-K117 IonicContact OD2-NZ 3.84Å; D115-K117 PolarHBondContact OD2-NZ 3.15Å; K117-H119 VanDerWaalsContact C-N 3.29Å; K117-H119 HydrophobicContact CG-CB 4.15Å; K117-H119 PolarHBondContact O-N 3.24Å; K117-H119 VanDerWaalsContact O-N 3.13Å; K117-C120 VanDerWaalsContact O-CB 3.29Å; K117-C120 WeakPolarHBondContact O-CB 3.38Å; K117-C120 PolarHBondContact O-N 2.69Å; K117-T156 HydrophobicContact CD-CG2 4.45Å; K117-T156 WeakPolarHBondContact CD-OG1 3.38Å; K117-T156 PolarHBondContact NZ-OG1 3.42Å; K117-F159 HydrophobicContact CB-CD1 3.97Å; K117-F159 HydrophobicContact CB-CD2 3.88Å; K117-F159 HydrophobicContact CB-CE1 4.06Å; K117-F159 HydrophobicContact CB-CE2 3.97Å; K117-F159 HydrophobicContact CB-CG 3.91Å; K117-F159 HydrophobicContact CB-CZ 4.08Å
118P91.5Very high93.6Very high4 Ų440.5 Ų40.53%0.02621%0.205CC..G310 helixtrans-50.1-41.2-178.9-32.637.5000115.3D72 C120 V121 F159 I185 F272D72-P118 WeakPolarHBondContact CB-O 3.31Å; P118-C120 PolarHBondContact O-N 2.69Å; P118-V121 PolarHBondContact O-N 2.64Å; P118-F159 VanDerWaalsContact CD-CE1 3.47Å; P118-F159 HydrophobicContact CG-CE1 4.41Å; P118-F159 HydrophobicContact CG-CZ 4.16Å; P118-I185 HydrophobicContact CG-CD1 4.07Å; P118-F272 HydrophobicContact CG-CE1 4.16Å; P118-F272 HydrophobicContact CG-CZ 4.23Å
119H88.1Confident93.1Very high108 Ų10841.3 Ų41.350%0.522%0.217SC..G310 helixtrans-57.4-21.7177.1-57.498000114.7K117 R276K117-H119 VanDerWaalsContact C-N 3.29Å; K117-H119 HydrophobicContact CG-CB 4.15Å; K117-H119 PolarHBondContact O-N 3.24Å; K117-H119 VanDerWaalsContact O-N 3.13Å; H119-R276 PolarHBondContact CD2-NH2 3.08Å; H119-R276 PolarHBondContact CE1-NE 3.18Å; H119-R276 PolarHBondContact NE2-NE 2.78Å; H119-R276 PolarHBondContact NE2-NH2 3.28Å
120C94.4Very high92.8Very high7 Ų739 Ų395%0.04721%0.205CC..G310 helixtrans-90.5-10.2179.5-68.30000113.1K117 P118 L134 G135K117-C120 VanDerWaalsContact O-CB 3.29Å; K117-C120 WeakPolarHBondContact O-CB 3.38Å; K117-C120 PolarHBondContact O-N 2.69Å; P118-C120 PolarHBondContact O-N 2.69Å; C120-L134 HydrophobicContact CB-CD1 4.09Å; C120-L134 CarbonylContact O-C 3.58Å; C120-L134 WeakPolarHBondContact O-CA 3.33Å; C120-G135 WeakPolarHBondContact CB-O 3.14Å; C120-G135 PolarHBondContact O-N 2.98Å; C120-G135 PolarHBondContact SG-O 3.43Å; C120-G135 VanDerWaalsContact SG-O 3.36Å
121V96.9Very high92.8Very high2 Ų237.9 Ų37.91%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-110.497.2-172.1-177.40000109.3D72 L73 I99 P118 V132 L134 I182D72-V121 WeakPolarHBondContact CA-O 3.48Å; L73-V121 HydrophobicContact CB-CB 4.45Å; L73-V121 HydrophobicContact CB-CG1 3.87Å; L73-V121 HydrophobicContact CD2-CG1 3.77Å; L73-V121 HydrophobicContact CG-CG1 4.46Å; L73-V121 PolarHBondContact N-O 3.32Å; I99-V121 HydrophobicContact CD1-CG1 3.59Å; I99-V121 HydrophobicContact CD1-CG2 4.27Å; I99-V121 HydrophobicContact CG1-CG1 3.87Å; P118-V121 PolarHBondContact O-N 2.64Å; V121-V132 HydrophobicContact CG1-CG1 3.43Å; V121-V132 VanDerWaalsContact CG1-CG1 3.43Å; V121-L134 HydrophobicContact CG2-CD1 4.19Å; V121-I182 HydrophobicContact CG2-CD1 3.85Å
122L96.3Very high92.8Very high45 Ų4538 Ų3824%0.23620%0.202CC..EExtended strand (participates in β ladder)trans-105.7160.1-173.5-54.2-178.8000111.2V49 M68 D72 V132 K133V49-L122 HydrophobicContact CG2-CD1 4.49Å; M68-L122 HydrophobicContact CB-CB 4.4Å; M68-L122 HydrophobicContact CB-CD1 4.32Å; M68-L122 HydrophobicContact CG-CB 4.09Å; M68-L122 HydrophobicContact CG-CD1 3.85Å; D72-L122 HydrophobicContact CB-CD2 3.9Å; L122-V132 CarbonylContact O-C 3.56Å; L122-V132 WeakPolarHBondContact O-CA 3.36Å; L122-K133 PolarHBondContact N-O 3.21Å; L122-K133 PolarHBondContact O-N 2.96Å
123L95.3Very high92.8Very high0 Ų039.1 Ų39.10%021%0.208CC..EExtended strand (participates in β ladder)trans-107.1131.1168.8-79.4159.5000109.9G70 A71 L73 E76 Y95 S125 A130 V132G70-L123 VanDerWaalsContact CA-O 3.28Å; G70-L123 WeakPolarHBondContact CA-O 3.43Å; G70-L123 PolarHBondContact N-O 3.45Å; G70-L123 VanDerWaalsContact N-O 3.13Å; A71-L123 PolarHBondContact O-N 3.49Å; L73-L123 HydrophobicContact CD1-CD1 3.69Å; L73-L123 HydrophobicContact CD1-CD2 4.43Å; L73-L123 HydrophobicContact CD1-CG 4.08Å; E76-L123 HydrophobicContact CB-CD1 3.51Å; E76-L123 HydrophobicContact CG-CD1 3.84Å; Y95-L123 HydrophobicContact CE1-CD2 4.34Å; L123-S125 VanDerWaalsContact C-N 3.26Å; L123-S125 PolarHBondContact O-N 3.39Å; L123-A130 HydrophobicContact CD2-CB 4.29Å; L123-A130 VanDerWaalsContact CD2-O 3.3Å; L123-A130 WeakPolarHBondContact CD2-O 3.29Å; L123-V132 HydrophobicContact CD2-CG2 3.68Å; L123-V132 HydrophobicContact CG-CG2 4.43Å
124A92.9Very high92.9Very high22 Ų2239.2 Ų39.218%0.18221%0.208CC..SBendtrans-62-32.4-173.600000113.4M68 D69 P131M68-A124 HydrophobicContact CE-CB 3.97Å; M68-A124 HydrophobicContact SD-CB 4.13Å; D69-A124 PolarHBondContact N-O 2.89Å; A124-P131 HydrophobicContact CB-CG 3.9Å; A124-P131 PolarHBondContact N-O 2.97Å
125S92.4Very high92.9Very high29 Ų2937.6 Ų37.620%0.20320%0.204CC..SBendtrans-144173.4173.1810000111.9R80 L123 E127 A130R80-S125 PolarHBondContact NH2-O 3.48Å; L123-S125 VanDerWaalsContact C-N 3.26Å; L123-S125 PolarHBondContact O-N 3.39Å; S125-E127 PolarHBondContact O-N 2.88Å; S125-E127 WeakPolarHBondContact OG-CB 3.48Å; S125-E127 PolarHBondContact OG-N 3.03Å; S125-A130 WeakPolarHBondContact O-CB 3.46Å; S125-A130 WeakPolarHBondContact OG-CB 3.33Å
126K87.8Confident92.7Very high105 Ų10538.8 Ų38.846%0.45722%0.221SC..SBendtrans-73.3-8.2176.9-61.8-177.9-166.983.30113.8D69 R80D69-K126 VanDerWaalsContact O-CE 3.23Å; D69-K126 WeakPolarHBondContact O-CE 3.2Å; D69-K126 WeakPolarHBondContact O-CG 3.48Å; D69-K126 PolarHBondContact O-NZ 3.07Å; D69-K126 VanDerWaalsContact O-NZ 3.16Å; D69-K126 IonicContact OD1-NZ 3.1Å; D69-K126 PolarHBondContact OD1-NZ 3.43Å; D69-K126 IonicContact OD2-NZ 2.74Å; D69-K126 PolarHBondContact OD2-NZ 2.92Å; R80-K126 PolarHBondContact NH2-O 2.7Å
127E87.3Confident92.5Very high120 Ų12038.8 Ų38.856%0.56122%0.221SC*.SBendtrans-65.8145.8-178.2-65.4173.9-163.700113.1R80 S125 S129 A130R80-E127 VanDerWaalsContact CZ-O 3.28Å; R80-E127 PolarHBondContact NH1-O 2.65Å; R80-E127 PolarHBondContact NH2-O 3.36Å; S125-E127 PolarHBondContact O-N 2.88Å; S125-E127 WeakPolarHBondContact OG-CB 3.48Å; S125-E127 PolarHBondContact OG-N 3.03Å; E127-S129 PolarHBondContact O-N 2.97Å; E127-S129 PolarHBondContact OE2-OG 3.34Å; E127-A130 HydrophobicContact CB-CB 4.37Å; E127-A130 WeakPolarHBondContact O-CB 3.1Å; E127-A130 PolarHBondContact O-N 3.27Å
128N82.8Confident92.2Very high100 Ų10038.6 Ų38.654%0.53523%0.229SC..THydrogen-bonded Turntrans-60.8-26.9176.8-71.4-27.9000113.1F85F85-N128 HydrophobicContact CE2-CB 4.24Å
129S86.4Confident92Very high97 Ų9740.7 Ų40.768%0.67824%0.242SC*.THydrogen-bonded Turntrans-85.4-3.417536.10000114.9E127E127-S129 PolarHBondContact O-N 2.97Å; E127-S129 PolarHBondContact OE2-OG 3.34Å
130A91.4Very high92.3Very high4 Ų435.7 Ų35.73%0.03322%0.219CC..PPolyproline II helixtrans-60.8135.3-173.300000112.4L123 S125 E127L123-A130 HydrophobicContact CD2-CB 4.29Å; L123-A130 VanDerWaalsContact CD2-O 3.3Å; L123-A130 WeakPolarHBondContact CD2-O 3.29Å; S125-A130 WeakPolarHBondContact O-CB 3.46Å; S125-A130 WeakPolarHBondContact OG-CB 3.33Å; E127-A130 HydrophobicContact CB-CB 4.37Å; E127-A130 WeakPolarHBondContact O-CB 3.1Å; E127-A130 PolarHBondContact O-N 3.27Å
131P95.3Very high92.3Very high50 Ų5037.1 Ų37.133%0.32523%0.226SC..PPolyproline II helixtrans-69144.3175.428.5-34000111.1A124A124-P131 HydrophobicContact CB-CG 3.9Å; A124-P131 PolarHBondContact N-O 2.97Å
132V97.4Very high92.2Very high1 Ų141.5 Ų41.51%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-76.7137.3167.4177.50000108.6H47 L73 Y95 Q98 I99 V121 L122 L123H47-V132 PolarHBondContact ND1-O 3.37Å; L73-V132 HydrophobicContact CD1-CG2 4.31Å; Y95-V132 HydrophobicContact CD1-CG2 3.51Å; Y95-V132 HydrophobicContact CE1-CG2 4.21Å; Y95-V132 HydrophobicContact CG-CG2 4.12Å; Q98-V132 HydrophobicContact CB-CB 4.17Å; I99-V132 HydrophobicContact CD1-CG1 4.39Å; I99-V132 HydrophobicContact CG1-CG1 3.78Å; V121-V132 HydrophobicContact CG1-CG1 3.43Å; V121-V132 VanDerWaalsContact CG1-CG1 3.43Å; L122-V132 CarbonylContact O-C 3.56Å; L122-V132 WeakPolarHBondContact O-CA 3.36Å; L123-V132 HydrophobicContact CD2-CG2 3.68Å; L123-V132 HydrophobicContact CG-CG2 4.43Å
133K97.9Very high92.1Very high25 Ų2539.9 Ų39.911%0.10924%0.238CC..EExtended strand (participates in β ladder)trans-127.9135.1173.8-65.5-164.9168.9-161.50111.5P46 H47 V49 E66 M68 L122P46-K133 WeakPolarHBondContact O-CE 3.45Å; H47-K133 WeakPolarHBondContact O-CA 3.47Å; V49-K133 HydrophobicContact CG2-CB 3.66Å; E66-K133 WeakPolarHBondContact OE1-CD 3.44Å; E66-K133 IonicContact OE1-NZ 2.71Å; E66-K133 PolarHBondContact OE1-NZ 2.88Å; E66-K133 IonicContact OE2-NZ 3.68Å; E66-K133 PolarHBondContact OE2-NZ 2.7Å; M68-K133 HydrophobicContact CE-CD 4.03Å; M68-K133 HydrophobicContact SD-CB 4.06Å; M68-K133 HydrophobicContact SD-CD 3.82Å; M68-K133 HydrophobicContact SD-CG 4.25Å; L122-K133 PolarHBondContact N-O 3.21Å; L122-K133 PolarHBondContact O-N 2.96Å
134L97.9Very high91.8Very high2 Ų242.3 Ų42.31%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-91126.8175.8-175.463.1000110H47 I48 V49 A102 C120 V121 F137H47-L134 PolarHBondContact O-N 2.85Å; I48-L134 CarbonylContact C-O 3.59Å; I48-L134 WeakPolarHBondContact CA-O 3.36Å; V49-L134 PolarHBondContact N-O 3.06Å; A102-L134 HydrophobicContact CB-CB 4.09Å; A102-L134 HydrophobicContact CB-CD2 4.22Å; C120-L134 HydrophobicContact CB-CD1 4.09Å; C120-L134 CarbonylContact O-C 3.58Å; C120-L134 WeakPolarHBondContact O-CA 3.33Å; V121-L134 HydrophobicContact CG2-CD1 4.19Å; L134-F137 HydrophobicContact CD2-CZ 4.49Å; L134-F137 HydrophobicContact CG-CZ 4.31Å
135G95.2Very high91.4Very high7 Ų751.3 Ų51.37%0.07230%0.302CS..  trans-138.2-176.5176.200000111.9H113 C120H113-G135 PolarHBondContact NE2-O 3.23Å; C120-G135 WeakPolarHBondContact CB-O 3.14Å; C120-G135 PolarHBondContact O-N 2.98Å; C120-G135 PolarHBondContact SG-O 3.43Å; C120-G135 VanDerWaalsContact SG-O 3.36Å
136G89.3Confident91.1Very high45 Ų4554.1 Ų54.146%0.46432%0.321SS..  trans88.333.4176.800000115.1H113 G138H113-G136 PolarHBondContact CE1-O 3.13Å; H113-G136 VanDerWaalsContact CE1-O 3.32Å; G136-G138 PolarHBondContact O-N 2.89Å
137F93Very high91.2Very high3 Ų350.7 Ų50.71%0.01332%0.315CS..G310 helixtrans-67.418.5178.7-61.4-87000115.4I39 L43 I48 H113 L134 V139 A140I39-F137 HydrophobicContact CG2-CB 4.27Å; I39-F137 HydrophobicContact CG2-CD1 4.34Å; I39-F137 HydrophobicContact CG2-CG 4.46Å; L43-F137 HydrophobicContact CD1-CD1 3.82Å; L43-F137 HydrophobicContact CD1-CD2 4.44Å; L43-F137 HydrophobicContact CD1-CE1 3.54Å; L43-F137 HydrophobicContact CD1-CE2 4.22Å; L43-F137 HydrophobicContact CD1-CG 4.27Å; L43-F137 HydrophobicContact CD1-CZ 3.78Å; I48-F137 HydrophobicContact CD1-CZ 4.44Å; I48-F137 HydrophobicContact CG2-CE2 3.76Å; I48-F137 HydrophobicContact CG2-CZ 3.96Å; H113-F137 AromaticContact CD2-CE1 3.77Å; L134-F137 HydrophobicContact CD2-CZ 4.49Å; L134-F137 HydrophobicContact CG-CZ 4.31Å; F137-V139 PolarHBondContact O-N 3.29Å; F137-V139 VanDerWaalsContact O-N 3.07Å; F137-A140 HydrophobicContact CB-CB 3.77Å; F137-A140 HydrophobicContact CD1-CB 3.92Å; F137-A140 HydrophobicContact CG-CB 4.37Å; F137-A140 WeakPolarHBondContact O-CB 3.35Å; F137-A140 PolarHBondContact O-N 2.94Å
138G85.8Confident91.4Very high34 Ų3449.1 Ų49.135%0.35131%0.31SS..G310 helixtrans-63.9-14.4-17500000115.8E36 G136E36-G138 VanDerWaalsContact CD-CA 3.49Å; E36-G138 WeakPolarHBondContact OE1-CA 3.33Å; G136-G138 PolarHBondContact O-N 2.89Å
139V88.6Confident91.8Very high49 Ų4945.4 Ų45.430%0.29729%0.291SS..G310 helixtrans-121.213168.9-59.90000112.9R114 D115 F137 V154R114-V139 HydrophobicContact CB-CG2 4.41Å; R114-V139 VanDerWaalsContact CZ-O 3.22Å; R114-V139 PolarHBondContact NE-O 3.04Å; R114-V139 PolarHBondContact NH2-O 3.01Å; D115-V139 HydrophobicContact CB-CG2 3.59Å; F137-V139 PolarHBondContact O-N 3.29Å; F137-V139 VanDerWaalsContact O-N 3.07Å; V139-V154 HydrophobicContact CB-CG1 3.79Å; V139-V154 HydrophobicContact CG1-CG1 4.28Å; V139-V154 HydrophobicContact CG2-CG1 4.01Å
140A94.1Very high91.5Very high2 Ų245 Ų452%0.01729%0.294CS..  trans-66.5158.9176.800000111.7I39 I111 I112 F137I39-A140 HydrophobicContact CD1-CB 4.07Å; I39-A140 HydrophobicContact CG2-CB 4.15Å; I111-A140 HydrophobicContact CG2-CB 4.42Å; I112-A140 VanDerWaalsContact O-CA 3.25Å; I112-A140 WeakPolarHBondContact O-CA 3.39Å; I112-A140 WeakPolarHBondContact O-CB 3.36Å; F137-A140 HydrophobicContact CB-CB 3.77Å; F137-A140 HydrophobicContact CD1-CB 3.92Å; F137-A140 HydrophobicContact CG-CB 4.37Å; F137-A140 WeakPolarHBondContact O-CB 3.35Å; F137-A140 PolarHBondContact O-N 2.94Å
141I93.8Very high90.5Very high37 Ų3746.6 Ų46.619%0.1931%0.31CS..EExtended strand (participates in β ladder)trans-151.9141.2179.5-174.1157.8000110.5I111 I112 V149I111-I141 WeakPolarHBondContact CA-O 3.03Å; I112-I141 HydrophobicContact CD1-CG2 4.01Å; I112-I141 HydrophobicContact CG1-CG2 3.62Å; I112-I141 PolarHBondContact N-O 2.83Å; I112-I141 PolarHBondContact O-N 2.9Å; I141-V149 HydrophobicContact CD1-CG1 4.09Å; I141-V149 HydrophobicContact CG1-CG1 4.38Å; I141-V149 HydrophobicContact CG2-CG1 3.82Å
142Q95.1Very high89.8Confident94 Ų9445.1 Ų45.144%0.43931%0.305SS..EExtended strand (participates in β ladder)trans-84.6131.6169.5-165.8171.231.300109.6N109 N110 I111N109-Q142 PolarHBondContact O-NE2 3.42Å; N110-Q142 HydrophobicContact CB-CG 4.42Å; I111-Q142 HydrophobicContact CG1-CB 4.05Å; I111-Q142 HydrophobicContact CG1-CG 4.03Å
143L94.1Very high89Confident12 Ų1249.9 Ų49.96%0.06332%0.322CS..  trans-77.4137.6179.1-62.4168.1000110.6N110 I112 G147 V149 K172N110-L143 HydrophobicContact CB-CB 4.36Å; N110-L143 WeakPolarHBondContact O-CB 3.23Å; N110-L143 WeakPolarHBondContact O-CG 3.27Å; N110-L143 PolarHBondContact O-N 2.85Å; I112-L143 HydrophobicContact CD1-CD2 3.96Å; I112-L143 HydrophobicContact CG1-CD2 4.26Å; I112-L143 HydrophobicContact CG1-CG 4.4Å; I112-L143 HydrophobicContact CG2-CD1 3.75Å; I112-L143 HydrophobicContact CG2-CG 4.26Å; L143-G147 WeakPolarHBondContact CD1-O 3.46Å; L143-V149 HydrophobicContact CD2-CG1 3.66Å; L143-K172 HydrophobicContact CD1-CG 3.79Å
144G89.6Confident88.3Confident51 Ų5150.6 Ų50.653%0.52633%0.329SS..  trans-77.7-172.6166.800000112.5S146 G147G144-S146 PolarHBondContact O-N 2.89Å; G144-G147 PolarHBondContact O-N 2.89Å
145E85.1Confident87.5Confident211 Ų21151.8 Ų51.899%0.98634%0.341SS*.THydrogen-bonded Turntrans-56.9-25.5-175.6-59.1-176.9159.300114.3G147E145-G147 PolarHBondContact O-N 3.39Å
146S85.5Confident86.9Confident88 Ų8853.3 Ų53.362%0.61535%0.349SS*.THydrogen-bonded Turntrans-66.5-18.1174.658.60000114.5G144 L148G144-S146 PolarHBondContact O-N 2.89Å; S146-L148 PolarHBondContact O-N 3.07Å; S146-L148 VanDerWaalsContact O-N 3.14Å; S146-L148 PolarHBondContact OG-N 3.01Å; S146-L148 PolarHBondContact OG-O 3.06Å
147G89.9Confident86.7Confident32 Ų3253.3 Ų53.333%0.3334%0.341SS..SBendtrans66.16-171.800000115L143 G144 E145L143-G147 WeakPolarHBondContact CD1-O 3.46Å; G144-G147 PolarHBondContact O-N 2.89Å; E145-G147 PolarHBondContact O-N 3.39Å
148L91.6Very high86.4Confident88 Ų8853.8 Ų53.846%0.46134%0.344SS..  trans-134.5146.3-173.5-62.8174.7000111.6S146 Y170S146-L148 PolarHBondContact O-N 3.07Å; S146-L148 VanDerWaalsContact O-N 3.14Å; S146-L148 PolarHBondContact OG-N 3.01Å; S146-L148 PolarHBondContact OG-O 3.06Å; L148-Y170 CarbonylContact C-O 3.41Å; L148-Y170 WeakPolarHBondContact CA-O 3.46Å; L148-Y170 VanDerWaalsContact CD2-C 3.48Å
149V90.4Very high86.8Confident21 Ų2153.3 Ų53.313%0.12733%0.332CS..BIsolated β-bridgetrans-99.1159.1166.2-57.90000111.7I112 I141 L143 P169 Y170I112-V149 HydrophobicContact CD1-CG1 4.44Å; I112-V149 HydrophobicContact CD1-CG2 4.5Å; I141-V149 HydrophobicContact CD1-CG1 4.09Å; I141-V149 HydrophobicContact CG1-CG1 4.38Å; I141-V149 HydrophobicContact CG2-CG1 3.82Å; L143-V149 HydrophobicContact CD2-CG1 3.66Å; V149-P169 WeakPolarHBondContact O-CA 3.48Å; V149-Y170 HydrophobicContact CG2-CD1 4.33Å; V149-Y170 HydrophobicContact CG2-CD2 3.71Å; V149-Y170 HydrophobicContact CG2-CE1 3.96Å; V149-Y170 HydrophobicContact CG2-CE2 3.29Å; V149-Y170 HydrophobicContact CG2-CG 4.2Å; V149-Y170 VanDerWaalsContact CG2-CZ 3.42Å; V149-Y170 PolarHBondContact N-O 2.8Å; V149-Y170 PolarHBondContact O-N 3.13Å
150A81.6Confident87Confident89 Ų8951.6 Ų51.674%0.73632%0.321SS*.PPolyproline II helixtrans-58.6144.6172.100000111.8
151G70.3Confident87.2Confident37 Ų3751.6 Ų51.638%0.38132%0.321SS..PPolyproline II helixtrans-66.6137.4-174.800000113.8R167 E168G151-R167 WeakPolarHBondContact CA-O 3.34Å; G151-E168 WeakPolarHBondContact CA-O 3.49Å
152G79Confident87.3Confident20 Ų2050 Ų5021%0.20631%0.312CS..  trans172.3148.2-179.100000112.6V154 Y170G152-V154 PolarHBondContact O-N 3.19Å; G152-Y170 WeakPolarHBondContact O-CE1 3.39Å
153R82.1Confident87.3Confident100 Ų10045.7 Ų45.738%0.37729%0.292SS..  trans-79.3100.1-179.4-72177.6-173.3173.1-1.7110.2M160 V164 V165 R167 F201R153-M160 HydrophobicContact CB-CE 4.11Å; R153-M160 HydrophobicContact CB-SD 4.18Å; R153-M160 HydrophobicContact CG-SD 4.36Å; R153-V164 WeakPolarHBondContact CG-O 3.34Å; R153-V165 PolarHBondContact NE-O 2.72Å; R153-V165 PolarHBondContact NH2-O 3.13Å; R153-R167 HydrophobicContact CG-CG 4.15Å; R153-F201 VanDerWaalsContact NH1-CE2 3.27Å
154V82Confident87.4Confident40 Ų4045.3 Ų45.324%0.24229%0.291CS..  trans-121.4143.6178.1-178.90000109.1R114 V139 G152R114-V154 HydrophobicContact CB-CG1 4.34Å; V139-V154 HydrophobicContact CB-CG1 3.79Å; V139-V154 HydrophobicContact CG1-CG1 4.28Å; V139-V154 HydrophobicContact CG2-CG1 4.01Å; G152-V154 PolarHBondContact O-N 3.19Å
155G81.3Confident87.5Confident27 Ų2742.9 Ų42.928%0.27827%0.266SS..SBendtrans96.3-171.4-177.600000114R114 D115 M160R114-G155 WeakPolarHBondContact O-CA 3.5Å; D115-G155 WeakPolarHBondContact OD1-CA 3.49Å; G155-M160 WeakPolarHBondContact O-CE 3.42Å
156T83.9Confident87.8Confident39 Ų3937.4 Ų37.424%0.23924%0.239CC..  trans-85.7126.1-177.2-54.60000110.7D115 K117 H158 F159 M160D115-T156 VanDerWaalsContact OD1-CB 3.31Å; D115-T156 WeakPolarHBondContact OD1-CB 3.5Å; D115-T156 PolarHBondContact OD1-N 3.37Å; D115-T156 PolarHBondContact OD1-OG1 3.29Å; K117-T156 HydrophobicContact CD-CG2 4.45Å; K117-T156 WeakPolarHBondContact CD-OG1 3.38Å; K117-T156 PolarHBondContact NZ-OG1 3.42Å; T156-H158 PolarHBondContact O-N 2.97Å; T156-H158 VanDerWaalsContact O-N 3.13Å; T156-F159 HydrophobicContact CG2-CD2 3.95Å; T156-F159 HydrophobicContact CG2-CE2 4.42Å; T156-F159 PolarHBondContact O-N 2.8Å; T156-M160 PolarHBondContact O-N 3.3Å
157P84Confident88.1Confident45 Ų4541 Ų4129%0.29224%0.239SC..G310 helixtrans-47.8-47.5-169.7-33.836.6000116.3F159 M160 L200 F201 I204P157-F159 PolarHBondContact O-N 3.06Å; P157-F159 VanDerWaalsContact O-N 3.08Å; P157-M160 HydrophobicContact CG-CE 4.39Å; P157-M160 PolarHBondContact O-N 3.06Å; P157-L200 HydrophobicContact CB-CD2 3.77Å; P157-F201 HydrophobicContact CB-CE1 4.08Å; P157-F201 HydrophobicContact CB-CZ 4.5Å; P157-I204 WeakPolarHBondContact O-CD1 3.43Å
158H87.3Confident88.3Confident13 Ų1343.2 Ų43.26%0.0624%0.241CC..G310 helixtrans-64-12.1-180-70.493.4000115T156 L191 L200 D320T156-H158 PolarHBondContact O-N 2.97Å; T156-H158 VanDerWaalsContact O-N 3.13Å; H158-L191 HydrophobicContact CB-CD2 4.48Å; H158-L200 VanDerWaalsContact CD2-CD1 3.47Å; H158-L200 WeakPolarHBondContact CD2-CD1 3.25Å; H158-D320 IonicContact CE1-OD1 3.41Å
159F93.8Very high88.4Confident24 Ų2443 Ų4311%0.10525%0.245CC..G310 helixtrans-115.2-1.7-178.7-60.7-93.5000112.5V116 K117 P118 T156 P157 V181 I182 I185 L191V116-F159 WeakPolarHBondContact O-CD1 3.49Å; K117-F159 HydrophobicContact CB-CD1 3.97Å; K117-F159 HydrophobicContact CB-CD2 3.88Å; K117-F159 HydrophobicContact CB-CE1 4.06Å; K117-F159 HydrophobicContact CB-CE2 3.97Å; K117-F159 HydrophobicContact CB-CG 3.91Å; K117-F159 HydrophobicContact CB-CZ 4.08Å; P118-F159 VanDerWaalsContact CD-CE1 3.47Å; P118-F159 HydrophobicContact CG-CE1 4.41Å; P118-F159 HydrophobicContact CG-CZ 4.16Å; T156-F159 HydrophobicContact CG2-CD2 3.95Å; T156-F159 HydrophobicContact CG2-CE2 4.42Å; T156-F159 PolarHBondContact O-N 2.8Å; P157-F159 PolarHBondContact O-N 3.06Å; P157-F159 VanDerWaalsContact O-N 3.08Å; F159-V181 HydrophobicContact CD1-CB 3.83Å; F159-V181 HydrophobicContact CD1-CG1 3.51Å; F159-V181 HydrophobicContact CE1-CB 4.1Å; F159-V181 HydrophobicContact CE1-CG1 3.41Å; F159-V181 VanDerWaalsContact CE1-CG1 3.41Å; F159-V181 HydrophobicContact CG-CG1 4.28Å; F159-V181 HydrophobicContact CZ-CG1 4.13Å; F159-I182 HydrophobicContact CE1-CG1 4.16Å; F159-I185 HydrophobicContact CE1-CD1 3.81Å; F159-I185 HydrophobicContact CZ-CD1 3.8Å; F159-L191 HydrophobicContact CZ-CD2 4.3Å
160M93.6Very high88.7Confident14 Ų1442.2 Ų42.27%0.06924%0.239CC..  trans-69.3138.4176.6-67.7-176-176.200111.2R153 G155 T156 P157 V164 V165 W177 F201R153-M160 HydrophobicContact CB-CE 4.11Å; R153-M160 HydrophobicContact CB-SD 4.18Å; R153-M160 HydrophobicContact CG-SD 4.36Å; G155-M160 WeakPolarHBondContact O-CE 3.42Å; T156-M160 PolarHBondContact O-N 3.3Å; P157-M160 HydrophobicContact CG-CE 4.39Å; P157-M160 PolarHBondContact O-N 3.06Å; M160-V164 HydrophobicContact CB-CB 4.32Å; M160-V164 HydrophobicContact CB-CG1 4.23Å; M160-V164 HydrophobicContact CG-CG1 4.09Å; M160-V164 HydrophobicContact SD-CG1 4.11Å; M160-V165 HydrophobicContact CB-CG2 3.62Å; M160-V165 HydrophobicContact SD-CG2 4.28Å; M160-W177 PolarHBondContact O-NE1 3.23Å; M160-F201 HydrophobicContact SD-CE1 4.22Å
161A96.6Very high89.4Confident1 Ų138.2 Ų38.21%0.00821%0.206CC..  trans-75.3156.9171.500000111.9E163 V164 V165 V174 W177A161-E163 VanDerWaalsContact C-N 3.29Å; A161-E163 HydrophobicContact CB-CG 4.45Å; A161-E163 WeakPolarHBondContact CB-OE2 3.26Å; A161-E163 PolarHBondContact O-N 3.26Å; A161-V164 HydrophobicContact CB-CG2 4.23Å; A161-V164 WeakPolarHBondContact O-CB 3.49Å; A161-V164 PolarHBondContact O-N 3.37Å; A161-V165 PolarHBondContact O-N 2.73Å; A161-V174 HydrophobicContact CB-CB 4.11Å; A161-V174 HydrophobicContact CB-CG1 4.08Å; A161-W177 HydrophobicContact CB-CB 3.84Å; A161-W177 HydrophobicContact CB-CD2 4.28Å; A161-W177 HydrophobicContact CB-CG 3.76Å
162P96.8Very high90.7Very high3 Ų339.2 Ų39.22%0.01920%0.2CC..Hα-helixtrans-51.4-43.8-178.5-27.935.1000113.9V164 V165 K166 W177 I204 L233P162-V164 PolarHBondContact O-N 2.77Å; P162-V165 PolarHBondContact O-N 3.43Å; P162-K166 VanDerWaalsContact O-CG 3.25Å; P162-K166 WeakPolarHBondContact O-CG 3.38Å; P162-K166 PolarHBondContact O-N 3.2Å; P162-W177 HydrophobicContact CG-CE3 4.23Å; P162-W177 HydrophobicContact CG-CH2 3.59Å; P162-W177 HydrophobicContact CG-CZ2 4.03Å; P162-W177 HydrophobicContact CG-CZ3 3.7Å; P162-I204 HydrophobicContact CG-CG2 4.15Å; P162-L233 HydrophobicContact CB-CD2 4.21Å; P162-L233 HydrophobicContact CG-CD2 3.51Å
163E96.1Very high91.6Very high4 Ų440.1 Ų40.12%0.01920%0.202CC..Hα-helixtrans-62-40.4177.862.1-84.9-157.700112.5A161 K166 R167 E168 V174 R238A161-E163 VanDerWaalsContact C-N 3.29Å; A161-E163 HydrophobicContact CB-CG 4.45Å; A161-E163 WeakPolarHBondContact CB-OE2 3.26Å; A161-E163 PolarHBondContact O-N 3.26Å; E163-K166 PolarHBondContact O-N 3.07Å; E163-R167 PolarHBondContact O-N 2.98Å; E163-R167 VanDerWaalsContact O-N 3.07Å; E163-E168 WeakPolarHBondContact CA-OE2 3.44Å; E163-E168 HydrophobicContact CB-CB 4.11Å; E163-E168 PolarHBondContact O-N 2.96Å; E163-V174 HydrophobicContact CG-CG1 4.11Å; E163-V174 WeakPolarHBondContact OE1-CG1 3.43Å; E163-R238 IonicContact OE1-CZ 3.75Å; E163-R238 IonicContact OE1-NH1 2.72Å; E163-R238 PolarHBondContact OE1-NH1 3.39Å; E163-R238 IonicContact OE1-NH2 3.42Å; E163-R238 PolarHBondContact OE1-NH2 3.04Å; E163-R238 IonicContact OE2-CZ 3.64Å; E163-R238 IonicContact OE2-NH1 3.59Å; E163-R238 IonicContact OE2-NH2 3.64Å; E163-R238 PolarHBondContact OE2-NH2 3.34Å
164V94.7Very high92.4Very high4 Ų435.7 Ų35.72%0.02419%0.187CC..Hα-helixtrans-64.7-43.4175.4-178.20000110.4R153 M160 A161 P162 R167 Y170 V174R153-V164 WeakPolarHBondContact CG-O 3.34Å; M160-V164 HydrophobicContact CB-CB 4.32Å; M160-V164 HydrophobicContact CB-CG1 4.23Å; M160-V164 HydrophobicContact CG-CG1 4.09Å; M160-V164 HydrophobicContact SD-CG1 4.11Å; A161-V164 HydrophobicContact CB-CG2 4.23Å; A161-V164 WeakPolarHBondContact O-CB 3.49Å; A161-V164 PolarHBondContact O-N 3.37Å; P162-V164 PolarHBondContact O-N 2.77Å; V164-R167 PolarHBondContact O-N 3.29Å; V164-R167 VanDerWaalsContact O-N 3.15Å; V164-Y170 HydrophobicContact CG1-CE1 4.42Å; V164-Y170 HydrophobicContact CG2-CD1 3.83Å; V164-Y170 HydrophobicContact CG2-CD2 4.17Å; V164-Y170 HydrophobicContact CG2-CE1 4.06Å; V164-Y170 HydrophobicContact CG2-CE2 4.36Å; V164-Y170 HydrophobicContact CG2-CG 3.92Å; V164-V174 HydrophobicContact CG2-CB 4.11Å; V164-V174 HydrophobicContact CG2-CG1 3.54Å
165V92.4Very high93.1Very high0 Ų033.9 Ų33.90%018%0.175CC..Hα-helixtrans-64.8-40.4178.1176.80000111.5R153 M160 A161 P162 R167 F201 I204 I205R153-V165 PolarHBondContact NE-O 2.72Å; R153-V165 PolarHBondContact NH2-O 3.13Å; M160-V165 HydrophobicContact CB-CG2 3.62Å; M160-V165 HydrophobicContact SD-CG2 4.28Å; A161-V165 PolarHBondContact O-N 2.73Å; P162-V165 PolarHBondContact O-N 3.43Å; V165-R167 PolarHBondContact O-N 2.85Å; V165-F201 HydrophobicContact CB-CD1 4.28Å; V165-F201 HydrophobicContact CG1-CB 3.41Å; V165-F201 VanDerWaalsContact CG1-CB 3.41Å; V165-F201 HydrophobicContact CG1-CD1 3.42Å; V165-F201 VanDerWaalsContact CG1-CD1 3.42Å; V165-F201 HydrophobicContact CG1-CD2 4.45Å; V165-F201 HydrophobicContact CG1-CE1 4.29Å; V165-F201 HydrophobicContact CG1-CG 3.51Å; V165-F201 HydrophobicContact CG2-CD1 3.84Å; V165-F201 HydrophobicContact CG2-CE1 4.28Å; V165-I204 HydrophobicContact CB-CG2 4.5Å; V165-I204 HydrophobicContact CG2-CB 4.48Å; V165-I204 HydrophobicContact CG2-CD1 4.28Å; V165-I204 HydrophobicContact CG2-CG2 3.84Å; V165-I205 HydrophobicContact CB-CD1 4.46Å; V165-I205 HydrophobicContact CB-CG1 4.35Å; V165-I205 HydrophobicContact CG1-CD1 3.76Å; V165-I205 HydrophobicContact CG1-CG1 4.02Å
166K91.9Very high94Very high97 Ų9732.7 Ų32.742%0.42216%0.163SC..Hα-helixtrans-72.4-13.7175.1-64.2165.3180179.80114P162 E163 E168 I205P162-K166 VanDerWaalsContact O-CG 3.25Å; P162-K166 WeakPolarHBondContact O-CG 3.38Å; P162-K166 PolarHBondContact O-N 3.2Å; E163-K166 PolarHBondContact O-N 3.07Å; K166-E168 VanDerWaalsContact C-N 3.33Å; K166-E168 HydrophobicContact CB-CG 3.94Å; K166-E168 HydrophobicContact CD-CG 4.1Å; K166-E168 WeakPolarHBondContact CD-OE1 3.3Å; K166-E168 WeakPolarHBondContact CD-OE2 3.45Å; K166-E168 IonicContact NZ-OE1 3.27Å; K166-E168 PolarHBondContact NZ-OE1 2.81Å; K166-E168 IonicContact NZ-OE2 2.83Å; K166-E168 PolarHBondContact NZ-OE2 3.44Å; K166-I205 HydrophobicContact CG-CD1 3.74Å; K166-I205 HydrophobicContact CG-CG1 3.96Å
167R91.6Very high94.7Very high164 Ų16430.8 Ų30.862%0.61915%0.151SC*.THydrogen-bonded Turntrans67.128.2-169.7-47.2174.2179-168.1-0.6113.6G151 R153 E163 V164 V165G151-R167 WeakPolarHBondContact CA-O 3.34Å; R153-R167 HydrophobicContact CG-CG 4.15Å; E163-R167 PolarHBondContact O-N 2.98Å; E163-R167 VanDerWaalsContact O-N 3.07Å; V164-R167 PolarHBondContact O-N 3.29Å; V164-R167 VanDerWaalsContact O-N 3.15Å; V165-R167 PolarHBondContact O-N 2.85Å
168E93.6Very high95.3Very high78 Ų7828.8 Ų28.836%0.36414%0.138SC..  trans-70.8156.3168.6-68.4168.3163.400109.8G151 E163 K166 Y170G151-E168 WeakPolarHBondContact CA-O 3.49Å; E163-E168 WeakPolarHBondContact CA-OE2 3.44Å; E163-E168 HydrophobicContact CB-CB 4.11Å; E163-E168 PolarHBondContact O-N 2.96Å; K166-E168 VanDerWaalsContact C-N 3.33Å; K166-E168 HydrophobicContact CB-CG 3.94Å; K166-E168 HydrophobicContact CD-CG 4.1Å; K166-E168 WeakPolarHBondContact CD-OE1 3.3Å; K166-E168 WeakPolarHBondContact CD-OE2 3.45Å; K166-E168 IonicContact NZ-OE1 3.27Å; K166-E168 PolarHBondContact NZ-OE1 2.81Å; K166-E168 IonicContact NZ-OE2 2.83Å; K166-E168 PolarHBondContact NZ-OE2 3.44Å; E168-Y170 WeakPolarHBondContact O-CD1 3.37Å
169P93.6Very high95.9Very high84 Ų8428.1 Ų28.155%0.54514%0.135SC..  trans-62.1141.5168.4-20.433.4000111.2V149V149-P169 WeakPolarHBondContact O-CA 3.48Å
170Y96.1Very high96.1Very high4 Ų427 Ų272%0.01613%0.13CC..BIsolated β-bridgetrans-145.4163.8-172.263.1-99.3000113.5I112 R114 L148 V149 G152 V164 E168 V174I112-Y170 HydrophobicContact CD1-CD2 4.21Å; I112-Y170 HydrophobicContact CD1-CE2 4.07Å; R114-Y170 WeakPolarHBondContact CD-OH 3.42Å; R114-Y170 HydrophobicContact CG-CE2 4.17Å; R114-Y170 PolarHBondContact NH1-OH 3.25Å; R114-Y170 VanDerWaalsContact NH1-OH 3.13Å; L148-Y170 CarbonylContact C-O 3.41Å; L148-Y170 WeakPolarHBondContact CA-O 3.46Å; L148-Y170 VanDerWaalsContact CD2-C 3.48Å; V149-Y170 HydrophobicContact CG2-CD1 4.33Å; V149-Y170 HydrophobicContact CG2-CD2 3.71Å; V149-Y170 HydrophobicContact CG2-CE1 3.96Å; V149-Y170 HydrophobicContact CG2-CE2 3.29Å; V149-Y170 HydrophobicContact CG2-CG 4.2Å; V149-Y170 VanDerWaalsContact CG2-CZ 3.42Å; V149-Y170 PolarHBondContact N-O 2.8Å; V149-Y170 PolarHBondContact O-N 3.13Å; G152-Y170 WeakPolarHBondContact O-CE1 3.39Å; V164-Y170 HydrophobicContact CG1-CE1 4.42Å; V164-Y170 HydrophobicContact CG2-CD1 3.83Å; V164-Y170 HydrophobicContact CG2-CD2 4.17Å; V164-Y170 HydrophobicContact CG2-CE1 4.06Å; V164-Y170 HydrophobicContact CG2-CE2 4.36Å; V164-Y170 HydrophobicContact CG2-CG 3.92Å; E168-Y170 WeakPolarHBondContact O-CD1 3.37Å; Y170-V174 HydrophobicContact CD2-CB 4.45Å; Y170-V174 HydrophobicContact CD2-CG1 3.56Å; Y170-V174 HydrophobicContact CD2-CG2 4.11Å; Y170-V174 HydrophobicContact CE2-CG1 4.47Å; Y170-V174 HydrophobicContact CE2-CG2 4.45Å; Y170-V174 HydrophobicContact CG-CG1 3.81Å
171G96.3Very high96.3Very high4 Ų426.3 Ų26.34%0.04113%0.127CC..  trans-146.5-148.1-177.200000112.4P173 V174G171-P173 VanDerWaalsContact C-N 3.32Å; G171-P173 WeakPolarHBondContact O-CD 3.43Å; G171-P173 VanDerWaalsContact O-N 3.09Å; G171-V174 WeakPolarHBondContact O-CG2 3.44Å; G171-V174 PolarHBondContact O-N 2.89Å
172K97.9Very high96.4Very high59 Ų5926.5 Ų26.526%0.25713%0.128SC..THydrogen-bonded Turntrans-46.9-36.4-174.7-61.7179.1-172.6-176.80116.3H107 N110 I112 L143 V174 D175H107-K172 HydrophobicContact CB-CD 4.05Å; H107-K172 PolarHBondContact CE1-O 2.87Å; H107-K172 WeakPolarHBondContact O-CE 3.34Å; H107-K172 PolarHBondContact O-NZ 2.86Å; N110-K172 WeakPolarHBondContact OD1-CE 3.25Å; N110-K172 PolarHBondContact OD1-NZ 2.92Å; I112-K172 HydrophobicContact CG2-CB 4.31Å; I112-K172 HydrophobicContact CG2-CG 3.83Å; L143-K172 HydrophobicContact CD1-CG 3.79Å; K172-V174 PolarHBondContact O-N 3.24Å; K172-V174 VanDerWaalsContact O-N 3.1Å; K172-D175 PolarHBondContact O-N 3.43Å
173P98.2Very high96.5Very high38 Ų3826.3 Ų26.325%0.24713%0.127CC..Hα-helixtrans-59.6-19179.5-28.237.5000116.4G171 D175 V176 W177 P235 R238G171-P173 VanDerWaalsContact C-N 3.32Å; G171-P173 WeakPolarHBondContact O-CD 3.43Å; G171-P173 VanDerWaalsContact O-N 3.09Å; P173-D175 VanDerWaalsContact C-N 3.35Å; P173-D175 PolarHBondContact O-N 2.83Å; P173-V176 PolarHBondContact O-N 2.83Å; P173-W177 PolarHBondContact O-N 2.9Å; P173-P235 HydrophobicContact CB-CB 3.86Å; P173-P235 HydrophobicContact CG-CB 4.19Å; P173-P235 WeakPolarHBondContact CG-O 3.46Å; P173-R238 VanDerWaalsContact C-NH1 3.34Å; P173-R238 WeakPolarHBondContact O-CD 3.45Å; P173-R238 PolarHBondContact O-NH1 2.8Å
174V97.9Very high96.6Very high8 Ų826.3 Ų26.35%0.04813%0.126CC..Hα-helixtrans-67.1-35.7-179.6-54.90000112.6A161 E163 V164 Y170 G171 K172 V176 W177 G178A161-V174 HydrophobicContact CB-CB 4.11Å; A161-V174 HydrophobicContact CB-CG1 4.08Å; E163-V174 HydrophobicContact CG-CG1 4.11Å; E163-V174 WeakPolarHBondContact OE1-CG1 3.43Å; V164-V174 HydrophobicContact CG2-CB 4.11Å; V164-V174 HydrophobicContact CG2-CG1 3.54Å; Y170-V174 HydrophobicContact CD2-CB 4.45Å; Y170-V174 HydrophobicContact CD2-CG1 3.56Å; Y170-V174 HydrophobicContact CD2-CG2 4.11Å; Y170-V174 HydrophobicContact CE2-CG1 4.47Å; Y170-V174 HydrophobicContact CE2-CG2 4.45Å; Y170-V174 HydrophobicContact CG-CG1 3.81Å; G171-V174 WeakPolarHBondContact O-CG2 3.44Å; G171-V174 PolarHBondContact O-N 2.89Å; K172-V174 PolarHBondContact O-N 3.24Å; K172-V174 VanDerWaalsContact O-N 3.1Å; V174-V176 VanDerWaalsContact C-N 3.34Å; V174-W177 PolarHBondContact O-N 2.83Å; V174-G178 PolarHBondContact O-N 2.98Å; V174-G178 VanDerWaalsContact O-N 3.14Å
175D98.4Very high96.7Very high1 Ų126.1 Ų26.11%0.00513%0.126CC..Hα-helixtrans-72.5-32.2-179.6-63-39.1000111.1L103 H107 I112 H113 R114 V116 K172 P173 W177 G178 C179L103-D175 HydrophobicContact CD1-CB 3.52Å; L103-D175 HydrophobicContact CD2-CB 3.63Å; L103-D175 HydrophobicContact CG-CB 4.16Å; H107-D175 IonicContact CD2-OD2 3.43Å; H107-D175 IonicContact CE1-OD2 2.73Å; H107-D175 IonicContact NE2-OD2 3.74Å; H107-D175 PolarHBondContact NE2-OD2 2.94Å; I112-D175 VanDerWaalsContact CA-OD2 3.27Å; I112-D175 WeakPolarHBondContact CA-OD2 3.43Å; I112-D175 WeakPolarHBondContact CB-OD2 3.29Å; H113-D175 PolarHBondContact N-OD1 3.2Å; H113-D175 VanDerWaalsContact N-OD1 3.1Å; H113-D175 PolarHBondContact N-OD2 2.91Å; R114-D175 PolarHBondContact N-OD1 2.9Å; V116-D175 HydrophobicContact CG2-CB 4.16Å; K172-D175 PolarHBondContact O-N 3.43Å; P173-D175 VanDerWaalsContact C-N 3.35Å; P173-D175 PolarHBondContact O-N 2.83Å; D175-W177 VanDerWaalsContact C-N 3.35Å; D175-G178 PolarHBondContact O-N 2.82Å; D175-C179 PolarHBondContact O-N 3.1Å; D175-C179 PolarHBondContact O-SG 2.83Å
176V98.6Very high96.9Very high2 Ų226.2 Ų26.21%0.01213%0.126CC..Hα-helixtrans-69.9-35.1177-168.10000111L103 P173 V174 C179 G180 M230 I239 V241L103-V176 HydrophobicContact CD2-CG2 4.36Å; P173-V176 PolarHBondContact O-N 2.83Å; V174-V176 VanDerWaalsContact C-N 3.34Å; V176-C179 PolarHBondContact O-N 2.88Å; V176-G180 PolarHBondContact O-N 3.01Å; V176-M230 HydrophobicContact CG1-CB 4.37Å; V176-M230 HydrophobicContact CG1-CE 3.88Å; V176-M230 HydrophobicContact CG1-CG 4.02Å; V176-I239 HydrophobicContact CG1-CG2 4.33Å; V176-I239 WeakPolarHBondContact CG1-O 3.43Å; V176-V241 HydrophobicContact CG2-CB 4.39Å
177W98.5Very high97.2Very high0 Ų021.6 Ų21.60%011%0.106CC..Hα-helixtrans-60.8-47.8168.8177-82.4000111.4M160 A161 P162 P173 V174 D175 C179 G180 V181 F193 I204 L231 L233M160-W177 PolarHBondContact O-NE1 3.23Å; A161-W177 HydrophobicContact CB-CB 3.84Å; A161-W177 HydrophobicContact CB-CD2 4.28Å; A161-W177 HydrophobicContact CB-CG 3.76Å; P162-W177 HydrophobicContact CG-CE3 4.23Å; P162-W177 HydrophobicContact CG-CH2 3.59Å; P162-W177 HydrophobicContact CG-CZ2 4.03Å; P162-W177 HydrophobicContact CG-CZ3 3.7Å; P173-W177 PolarHBondContact O-N 2.9Å; V174-W177 PolarHBondContact O-N 2.83Å; D175-W177 VanDerWaalsContact C-N 3.35Å; W177-C179 VanDerWaalsContact C-N 3.33Å; W177-C179 PolarHBondContact O-N 2.79Å; W177-G180 CarbonylContact O-C 3.54Å; W177-G180 WeakPolarHBondContact O-CA 3.44Å; W177-G180 PolarHBondContact O-N 3.44Å; W177-V181 PolarHBondContact O-N 3Å; W177-F193 HydrophobicContact CH2-CE2 4.09Å; W177-F193 AromaticContact CH2-CZ 3.7Å; W177-F193 HydrophobicContact CH2-CZ 3.7Å; W177-F193 HydrophobicContact CZ2-CD2 4.41Å; W177-F193 AromaticContact CZ2-CE2 3.35Å; W177-F193 HydrophobicContact CZ2-CE2 3.35Å; W177-F193 AromaticContact CZ2-CZ 3.44Å; W177-F193 HydrophobicContact CZ2-CZ 3.44Å; W177-F193 VanDerWaalsContact CZ2-CZ 3.44Å; W177-I204 HydrophobicContact CZ2-CG2 3.9Å; W177-L231 HydrophobicContact CD2-CD2 3.84Å; W177-L231 HydrophobicContact CE3-CB 4.41Å; W177-L231 HydrophobicContact CE3-CD2 4.08Å; W177-L231 HydrophobicContact CG-CD2 4.29Å; W177-L231 HydrophobicContact CZ2-CD2 4.31Å; W177-L231 VanDerWaalsContact CZ3-C 3.47Å; W177-L231 HydrophobicContact CZ3-CB 4.2Å; W177-L231 HydrophobicContact CZ3-CD2 4.41Å; W177-L231 WeakPolarHBondContact CZ3-O 3.43Å; W177-L233 HydrophobicContact CH2-CD2 4.11Å; W177-L233 HydrophobicContact CZ3-CD2 4.3Å
178G97.9Very high97.3Very high2 Ų213.8 Ų13.82%0.0218%0.076CC..Hα-helixtrans-57.2-42.9174.400000112.8V174 D175 G180 V181 I182V174-G178 PolarHBondContact O-N 2.98Å; V174-G178 VanDerWaalsContact O-N 3.14Å; D175-G178 PolarHBondContact O-N 2.82Å; G178-G180 VanDerWaalsContact C-N 3.32Å; G178-G180 PolarHBondContact O-N 3.18Å; G178-V181 PolarHBondContact O-N 2.89Å; G178-I182 PolarHBondContact O-N 2.89Å
179C98.6Very high97.1Very high0 Ų010.1 Ų10.10%06%0.059CC..Hα-helixtrans-62.1-34.8170.4-74.60000113.2M96 L100 D175 V176 W177 I182 L183 M230M96-C179 HydrophobicContact CE-CB 3.67Å; L100-C179 HydrophobicContact CD2-CB 4.08Å; D175-C179 PolarHBondContact O-N 3.1Å; D175-C179 PolarHBondContact O-SG 2.83Å; V176-C179 PolarHBondContact O-N 2.88Å; W177-C179 VanDerWaalsContact C-N 3.33Å; W177-C179 PolarHBondContact O-N 2.79Å; C179-I182 PolarHBondContact O-N 2.86Å; C179-L183 WeakPolarHBondContact O-CB 3.27Å; C179-L183 PolarHBondContact O-N 3.15Å; C179-M230 HydrophobicContact CB-CE 3.43Å; C179-M230 VanDerWaalsContact CB-CE 3.43Å
180G98.5Very high96.9Very high0 Ų07.2 Ų7.20%04%0.041CC..Hα-helixtrans-65.2-39.4174.100000112.5V176 W177 G178 L183 F184V176-G180 PolarHBondContact O-N 3.01Å; W177-G180 CarbonylContact O-C 3.54Å; W177-G180 WeakPolarHBondContact O-CA 3.44Å; W177-G180 PolarHBondContact O-N 3.44Å; G178-G180 VanDerWaalsContact C-N 3.32Å; G178-G180 PolarHBondContact O-N 3.18Å; G180-L183 PolarHBondContact O-N 2.94Å; G180-F184 PolarHBondContact O-N 2.74Å
181V98.3Very high96.6Very high0 Ų07.4 Ų7.40%04%0.042CC..Hα-helixtrans-64.5-43.4171.9179.70000110.7F159 W177 G178 F184 I185 L191 P192 L231F159-V181 HydrophobicContact CD1-CB 3.83Å; F159-V181 HydrophobicContact CD1-CG1 3.51Å; F159-V181 HydrophobicContact CE1-CB 4.1Å; F159-V181 HydrophobicContact CE1-CG1 3.41Å; F159-V181 VanDerWaalsContact CE1-CG1 3.41Å; F159-V181 HydrophobicContact CG-CG1 4.28Å; F159-V181 HydrophobicContact CZ-CG1 4.13Å; W177-V181 PolarHBondContact O-N 3Å; G178-V181 PolarHBondContact O-N 2.89Å; V181-F184 PolarHBondContact O-N 2.7Å; V181-I185 HydrophobicContact CG1-CD1 4.21Å; V181-I185 WeakPolarHBondContact O-CG1 3.32Å; V181-I185 PolarHBondContact O-N 2.95Å; V181-I185 VanDerWaalsContact O-N 3.09Å; V181-L191 HydrophobicContact CG1-CD2 4.38Å; V181-P192 HydrophobicContact CB-CG 4.29Å; V181-P192 HydrophobicContact CG1-CG 3.91Å; V181-P192 HydrophobicContact CG2-CG 4.02Å; V181-L231 HydrophobicContact CG2-CD2 3.87Å
182I98.3Very high96.3Very high4 Ų47.5 Ų7.52%0.0214%0.042CC..Hα-helixtrans-60.4-44.7172.9-68.3-176.7000111.3I99 V116 V121 F159 G178 C179 F184 I185 L186I99-I182 HydrophobicContact CD1-CG2 4.44Å; V116-I182 HydrophobicContact CG1-CD1 3.73Å; V121-I182 HydrophobicContact CG2-CD1 3.85Å; F159-I182 HydrophobicContact CE1-CG1 4.16Å; G178-I182 PolarHBondContact O-N 2.89Å; C179-I182 PolarHBondContact O-N 2.86Å; I182-F184 VanDerWaalsContact C-N 3.32Å; I182-F184 PolarHBondContact O-N 2.67Å; I182-I185 WeakPolarHBondContact O-CB 3.09Å; I182-I185 PolarHBondContact O-N 2.87Å; I182-I185 VanDerWaalsContact O-N 3.16Å; I182-L186 HydrophobicContact CG2-CD1 3.82Å; I182-L186 HydrophobicContact CG2-CG 4.09Å; I182-L186 WeakPolarHBondContact O-CG 3.4Å; I182-L186 PolarHBondContact O-N 2.79Å
183L98.5Very high95.8Very high0 Ų04.9 Ų4.90%03%0.031CC..Hα-helixtrans-62-40.4178.6-177.755.8000111.8M96 C179 G180 I185 L186 L187 L226 V227 M230 W249M96-L183 HydrophobicContact CB-CD1 4.42Å; M96-L183 HydrophobicContact CG-CD1 4.04Å; M96-L183 HydrophobicContact SD-CB 3.82Å; M96-L183 HydrophobicContact SD-CD1 4.19Å; M96-L183 HydrophobicContact SD-CG 4.47Å; C179-L183 WeakPolarHBondContact O-CB 3.27Å; C179-L183 PolarHBondContact O-N 3.15Å; G180-L183 PolarHBondContact O-N 2.94Å; L183-I185 VanDerWaalsContact C-N 3.33Å; L183-I185 PolarHBondContact O-N 2.67Å; L183-L186 PolarHBondContact O-N 2.83Å; L183-L187 HydrophobicContact CD1-CD1 3.77Å; L183-L187 HydrophobicContact CD1-CG 3.95Å; L183-L187 HydrophobicContact CG-CD1 3.85Å; L183-L187 HydrophobicContact CG-CG 4.43Å; L183-L187 WeakPolarHBondContact O-CB 3.18Å; L183-L187 VanDerWaalsContact O-CG 3.29Å; L183-L187 WeakPolarHBondContact O-CG 3.19Å; L183-L187 PolarHBondContact O-N 3.46Å; L183-L226 HydrophobicContact CD2-CB 4.36Å; L183-L226 HydrophobicContact CD2-CD2 3.79Å; L183-L226 HydrophobicContact CD2-CG 3.85Å; L183-V227 HydrophobicContact CB-CG2 4.33Å; L183-V227 HydrophobicContact CD2-CG2 3.64Å; L183-V227 HydrophobicContact CG-CG2 3.65Å; L183-M230 HydrophobicContact CD2-SD 3.89Å; L183-W249 HydrophobicContact CD1-CH2 3.55Å; L183-W249 HydrophobicContact CD1-CZ3 3.53Å; L183-W249 HydrophobicContact CD2-CZ3 4.33Å
184F98.2Very high94.7Very high3 Ų36.2 Ų6.21%0.0133%0.031CC..Hα-helixtrans-59.6-43173.9-166.9-75.5000111.8G180 V181 I182 L187 S188 C190 L191 P192 Y209 M211 W216 V227 L231G180-F184 PolarHBondContact O-N 2.74Å; V181-F184 PolarHBondContact O-N 2.7Å; I182-F184 VanDerWaalsContact C-N 3.32Å; I182-F184 PolarHBondContact O-N 2.67Å; F184-L187 PolarHBondContact O-N 3.33Å; F184-S188 WeakPolarHBondContact O-CB 3.32Å; F184-S188 PolarHBondContact O-N 2.89Å; F184-S188 VanDerWaalsContact O-N 3.13Å; F184-S188 PolarHBondContact O-OG 3.42Å; F184-C190 WeakPolarHBondContact CD1-O 3.32Å; F184-C190 HydrophobicContact CE1-CB 4.38Å; F184-L191 VanDerWaalsContact CE1-C 3.5Å; F184-L191 VanDerWaalsContact CE1-O 3.31Å; F184-L191 WeakPolarHBondContact CE1-O 3.48Å; F184-P192 HydrophobicContact CB-CB 4.39Å; F184-P192 HydrophobicContact CB-CG 4.27Å; F184-P192 HydrophobicContact CD1-CB 3.98Å; F184-P192 HydrophobicContact CD1-CG 4.31Å; F184-P192 HydrophobicContact CD2-CB 3.8Å; F184-P192 HydrophobicContact CE1-CB 4.19Å; F184-P192 HydrophobicContact CE2-CB 4.02Å; F184-P192 HydrophobicContact CG-CB 3.79Å; F184-P192 HydrophobicContact CG-CG 4.14Å; F184-P192 HydrophobicContact CZ-CB 4.21Å; F184-Y209 HydrophobicContact CD2-CD2 4.39Å; F184-Y209 AromaticContact CE2-CD2 3.79Å; F184-Y209 HydrophobicContact CE2-CD2 3.79Å; F184-Y209 HydrophobicContact CE2-CE2 4.41Å; F184-M211 HydrophobicContact CE2-CG 4.25Å; F184-W216 AromaticContact CD1-CZ2 3.96Å; F184-W216 HydrophobicContact CD1-CZ2 3.96Å; F184-W216 AromaticContact CD2-CH2 3.86Å; F184-W216 HydrophobicContact CD2-CH2 3.86Å; F184-W216 AromaticContact CD2-CZ2 3.45Å; F184-W216 HydrophobicContact CD2-CZ2 3.45Å; F184-W216 VanDerWaalsContact CD2-CZ2 3.45Å; F184-W216 AromaticContact CE1-CZ2 3.93Å; F184-W216 HydrophobicContact CE1-CZ2 3.93Å; F184-W216 AromaticContact CE2-CE2 3.98Å; F184-W216 HydrophobicContact CE2-CH2 4.14Å; F184-W216 AromaticContact CE2-CZ2 3.42Å; F184-W216 HydrophobicContact CE2-CZ2 3.42Å; F184-W216 VanDerWaalsContact CE2-CZ2 3.42Å; F184-W216 HydrophobicContact CG-CH2 4.23Å; F184-W216 AromaticContact CG-CZ2 3.73Å; F184-W216 HydrophobicContact CG-CZ2 3.73Å; F184-W216 AromaticContact CZ-CE2 3.95Å; F184-W216 AromaticContact CZ-CZ2 3.67Å; F184-W216 HydrophobicContact CZ-CZ2 3.67Å; F184-W216 AromaticContact CZ-NE1 3.79Å; F184-V227 HydrophobicContact CD2-CG1 3.93Å; F184-L231 HydrophobicContact CD2-CD1 4.46Å
185I96.6Very high93.1Very high1 Ų15.8 Ų5.81%0.0053%0.029CC..Hα-helixtrans-65-45175-62.8159.6000111.1P118 F159 V181 I182 L183 L187 S188 G189 C190 L191 L269 F272P118-I185 HydrophobicContact CG-CD1 4.07Å; F159-I185 HydrophobicContact CE1-CD1 3.81Å; F159-I185 HydrophobicContact CZ-CD1 3.8Å; V181-I185 HydrophobicContact CG1-CD1 4.21Å; V181-I185 WeakPolarHBondContact O-CG1 3.32Å; V181-I185 PolarHBondContact O-N 2.95Å; V181-I185 VanDerWaalsContact O-N 3.09Å; I182-I185 WeakPolarHBondContact O-CB 3.09Å; I182-I185 PolarHBondContact O-N 2.87Å; I182-I185 VanDerWaalsContact O-N 3.16Å; L183-I185 VanDerWaalsContact C-N 3.33Å; L183-I185 PolarHBondContact O-N 2.67Å; I185-L187 VanDerWaalsContact C-N 3.27Å; I185-L187 PolarHBondContact O-N 3.05Å; I185-S188 PolarHBondContact O-N 3.25Å; I185-G189 VanDerWaalsContact O-CA 3.3Å; I185-G189 WeakPolarHBondContact O-CA 3.42Å; I185-G189 PolarHBondContact O-N 3.22Å; I185-C190 WeakPolarHBondContact CA-O 3.18Å; I185-C190 VanDerWaalsContact CG1-O 3.28Å; I185-C190 WeakPolarHBondContact CG1-O 3.41Å; I185-L191 HydrophobicContact CD1-CD2 3.84Å; I185-L191 HydrophobicContact CG1-CD2 4.14Å; I185-L269 HydrophobicContact CG2-CD2 3.76Å; I185-F272 HydrophobicContact CD1-CE1 4.47Å; I185-F272 HydrophobicContact CD1-CZ 3.93Å; I185-F272 HydrophobicContact CG1-CZ 4.46Å; I185-F272 HydrophobicContact CG2-CD1 4.15Å; I185-F272 HydrophobicContact CG2-CE1 3.82Å; I185-F272 HydrophobicContact CG2-CZ 4.24Å
186L97.8Very high91.4Very high1 Ų17 Ų71%0.0054%0.036CC..Hα-helixtrans-65-29-179.9-70.3177.5000112.8L73 I77 Y87 A92 M96 I182 L183 T265L73-L186 HydrophobicContact CD2-CD1 4.24Å; L73-L186 HydrophobicContact CD2-CD2 3.99Å; L73-L186 HydrophobicContact CG-CD2 4.3Å; I77-L186 HydrophobicContact CD1-CD2 3.5Å; Y87-L186 WeakPolarHBondContact CE1-O 3.33Å; Y87-L186 PolarHBondContact OH-O 2.9Å; A92-L186 HydrophobicContact CB-CB 4.42Å; M96-L186 HydrophobicContact SD-CD1 4.43Å; I182-L186 HydrophobicContact CG2-CD1 3.82Å; I182-L186 HydrophobicContact CG2-CG 4.09Å; I182-L186 WeakPolarHBondContact O-CG 3.4Å; I182-L186 PolarHBondContact O-N 2.79Å; L183-L186 PolarHBondContact O-N 2.83Å; L186-T265 WeakPolarHBondContact O-CG2 3.37Å
187L97.6Very high90Very high0 Ų010.7 Ų10.70%05%0.052CC..Hα-helixtrans-89.7-20179.4-67.1171.1000114.6E89 A92 L183 F184 I185 W216 I219 A223 V227 W249 T265E89-L187 HydrophobicContact CG-CD2 3.92Å; A92-L187 HydrophobicContact CB-CD2 4.28Å; L183-L187 HydrophobicContact CD1-CD1 3.77Å; L183-L187 HydrophobicContact CD1-CG 3.95Å; L183-L187 HydrophobicContact CG-CD1 3.85Å; L183-L187 HydrophobicContact CG-CG 4.43Å; L183-L187 WeakPolarHBondContact O-CB 3.18Å; L183-L187 VanDerWaalsContact O-CG 3.29Å; L183-L187 WeakPolarHBondContact O-CG 3.19Å; L183-L187 PolarHBondContact O-N 3.46Å; F184-L187 PolarHBondContact O-N 3.33Å; I185-L187 VanDerWaalsContact C-N 3.27Å; I185-L187 PolarHBondContact O-N 3.05Å; L187-W216 HydrophobicContact CB-CH2 3.88Å; L187-W216 HydrophobicContact CB-CZ2 4.43Å; L187-W216 HydrophobicContact CB-CZ3 4.17Å; L187-W216 HydrophobicContact CD1-CH2 3.98Å; L187-W216 HydrophobicContact CD1-CZ3 3.97Å; L187-I219 HydrophobicContact CB-CD1 4.42Å; L187-I219 HydrophobicContact CD1-CG2 4.39Å; L187-I219 HydrophobicContact CD2-CD1 4.32Å; L187-I219 HydrophobicContact CD2-CG2 4.36Å; L187-I219 WeakPolarHBondContact O-CD1 3.42Å; L187-A223 HydrophobicContact CD1-CB 3.87Å; L187-A223 HydrophobicContact CD2-CB 4.32Å; L187-V227 HydrophobicContact CD1-CG2 3.8Å; L187-W249 HydrophobicContact CD2-CH2 4.11Å; L187-W249 HydrophobicContact CD2-CZ2 3.81Å; L187-T265 PolarHBondContact O-OG1 3Å
188S94.3Very high89Confident0 Ų015.3 Ų15.30%07%0.074CC..Hα-helixtrans-133.9-16.8-171.771.30000116.1F184 I185 C190 Q268F184-S188 WeakPolarHBondContact O-CB 3.32Å; F184-S188 PolarHBondContact O-N 2.89Å; F184-S188 VanDerWaalsContact O-N 3.13Å; F184-S188 PolarHBondContact O-OG 3.42Å; I185-S188 PolarHBondContact O-N 3.25Å; S188-C190 PolarHBondContact O-N 3.17Å; S188-C190 PolarHBondContact OG-N 3.18Å; S188-Q268 WeakPolarHBondContact O-CB 3.3Å
189G90.1Very high87.9Confident1 Ų118.2 Ų18.21%0.018%0.084CC..SBendtrans71.42.6-170.800000114.8I185 Q268I185-G189 VanDerWaalsContact O-CA 3.3Å; I185-G189 WeakPolarHBondContact O-CA 3.42Å; I185-G189 PolarHBondContact O-N 3.22Å; G189-Q268 CarbonylContact O-C 3.25Å
190C88.4Confident87Confident23 Ų2318.2 Ų18.216%0.1558%0.084CC..SBendtrans-110.5167.2-179.4-65.10000111.6F184 I185 S188 Y194F184-C190 WeakPolarHBondContact CD1-O 3.32Å; F184-C190 HydrophobicContact CE1-CB 4.38Å; I185-C190 WeakPolarHBondContact CA-O 3.18Å; I185-C190 VanDerWaalsContact CG1-O 3.28Å; I185-C190 WeakPolarHBondContact CG1-O 3.41Å; S188-C190 PolarHBondContact O-N 3.17Å; S188-C190 PolarHBondContact OG-N 3.18Å; C190-Y194 WeakPolarHBondContact CB-OH 3.27Å
191L89.1Confident86.5Confident8 Ų819.2 Ų19.24%0.0429%0.088CC..  trans-86152167.3-71.5164.1000110H158 F159 V181 F184 I185 F193 Y194 F272H158-L191 HydrophobicContact CB-CD2 4.48Å; F159-L191 HydrophobicContact CZ-CD2 4.3Å; V181-L191 HydrophobicContact CG1-CD2 4.38Å; F184-L191 VanDerWaalsContact CE1-C 3.5Å; F184-L191 VanDerWaalsContact CE1-O 3.31Å; F184-L191 WeakPolarHBondContact CE1-O 3.48Å; I185-L191 HydrophobicContact CD1-CD2 3.84Å; I185-L191 HydrophobicContact CG1-CD2 4.14Å; L191-F193 WeakPolarHBondContact CB-O 3.46Å; L191-Y194 HydrophobicContact CB-CE1 4.03Å; L191-Y194 HydrophobicContact CB-CE2 4.05Å; L191-Y194 HydrophobicContact CD1-CD1 4.49Å; L191-Y194 HydrophobicContact CD1-CE1 4.16Å; L191-Y194 PolarHBondContact N-OH 2.93Å; L191-Y194 WeakPolarHBondContact O-CE2 3.17Å; L191-F272 HydrophobicContact CD1-CE2 4.36Å; L191-F272 HydrophobicContact CD2-CE2 4.15Å; L191-F272 HydrophobicContact CG-CE2 4.06Å
192P90.1Very high86Confident7 Ų724.1 Ų24.15%0.04511%0.112CC..SBendtrans-73.2-35.1170.425.2-28.8000112.3V181 F184 Y209 L231V181-P192 HydrophobicContact CB-CG 4.29Å; V181-P192 HydrophobicContact CG1-CG 3.91Å; V181-P192 HydrophobicContact CG2-CG 4.02Å; F184-P192 HydrophobicContact CB-CB 4.39Å; F184-P192 HydrophobicContact CB-CG 4.27Å; F184-P192 HydrophobicContact CD1-CB 3.98Å; F184-P192 HydrophobicContact CD1-CG 4.31Å; F184-P192 HydrophobicContact CD2-CB 3.8Å; F184-P192 HydrophobicContact CE1-CB 4.19Å; F184-P192 HydrophobicContact CE2-CB 4.02Å; F184-P192 HydrophobicContact CG-CB 3.79Å; F184-P192 HydrophobicContact CG-CG 4.14Å; F184-P192 HydrophobicContact CZ-CB 4.21Å; P192-Y209 HydrophobicContact CB-CG 4.17Å; P192-Y209 WeakPolarHBondContact O-CA 3.18Å; P192-Y209 WeakPolarHBondContact O-CB 3.23Å; P192-L231 HydrophobicContact CB-CD1 4.11Å; P192-L231 HydrophobicContact CG-CD1 4.36Å
193F87.1Confident85.4Confident4 Ų424.8 Ų24.82%0.01812%0.119CC..  trans-121.1144.9-177.5-48.2-73.2000110.3W177 L191 L200 I204 Y209 L231W177-F193 HydrophobicContact CH2-CE2 4.09Å; W177-F193 AromaticContact CH2-CZ 3.7Å; W177-F193 HydrophobicContact CH2-CZ 3.7Å; W177-F193 HydrophobicContact CZ2-CD2 4.41Å; W177-F193 AromaticContact CZ2-CE2 3.35Å; W177-F193 HydrophobicContact CZ2-CE2 3.35Å; W177-F193 AromaticContact CZ2-CZ 3.44Å; W177-F193 HydrophobicContact CZ2-CZ 3.44Å; W177-F193 VanDerWaalsContact CZ2-CZ 3.44Å; L191-F193 WeakPolarHBondContact CB-O 3.46Å; F193-L200 HydrophobicContact CB-CD1 3.7Å; F193-I204 HydrophobicContact CB-CG1 4.08Å; F193-I204 HydrophobicContact CD1-CG1 4.24Å; F193-I204 HydrophobicContact CD2-CG1 3.74Å; F193-I204 HydrophobicContact CE2-CG1 4.26Å; F193-I204 HydrophobicContact CG-CG1 3.74Å; F193-Y209 AromaticContact CE1-CD1 3.82Å; F193-Y209 HydrophobicContact CE1-CD1 3.82Å; F193-Y209 HydrophobicContact CE1-CG 4.41Å; F193-Y209 AromaticContact CZ-CD1 3.75Å; F193-Y209 HydrophobicContact CZ-CD1 3.75Å; F193-L231 HydrophobicContact CE2-CD2 4.47Å
194Y75.1Confident85.1Confident65 Ų6524.8 Ų24.826%0.25512%0.119SC..  trans-140.4162.4-178.7-71.6-83.7000109.9C190 L191 E323 A327C190-Y194 WeakPolarHBondContact CB-OH 3.27Å; L191-Y194 HydrophobicContact CB-CE1 4.03Å; L191-Y194 HydrophobicContact CB-CE2 4.05Å; L191-Y194 HydrophobicContact CD1-CD1 4.49Å; L191-Y194 HydrophobicContact CD1-CE1 4.16Å; L191-Y194 PolarHBondContact N-OH 2.93Å; L191-Y194 WeakPolarHBondContact O-CE2 3.17Å; Y194-E323 HydrophobicContact CD1-CB 4.46Å; Y194-A327 HydrophobicContact CG-CB 4.38Å
195G64.6Low84.9Confident0 Ų027.7 Ų27.70%013%0.134CC..SBendtrans126.1168169.700000113L200 E324G195-L200 WeakPolarHBondContact O-CB 3.28Å; G195-E324 WeakPolarHBondContact CA-OE2 3.33Å
196T63.2Low84.7Confident26 Ų2632.9 Ų32.916%0.1616%0.157CC..SBendtrans-64.2143.7167.254.60000111.1E198 R199 L200 S321 E324T196-E198 CarbonylContact O-C 3.53Å; T196-E198 PolarHBondContact O-N 2.85Å; T196-R199 WeakPolarHBondContact O-CA 3.41Å; T196-R199 PolarHBondContact O-N 2.83Å; T196-L200 PolarHBondContact O-N 3.01Å; T196-S321 WeakPolarHBondContact CG2-OG 3.49Å; T196-E324 PolarHBondContact N-OE2 3.02Å
197K69.9Low84.2Confident80 Ų8033.7 Ų33.735%0.34817%0.166SC..Hα-helixtrans5.5-79.4166.1-173.9169.1145.8-86.30115.9L200 F201 Q317K197-L200 PolarHBondContact O-N 2.98Å; K197-F201 HydrophobicContact CG-CD2 4.31Å; K197-F201 HydrophobicContact CG-CE2 3.76Å; K197-F201 WeakPolarHBondContact O-CB 3.38Å; K197-F201 WeakPolarHBondContact O-CD2 3.24Å; K197-F201 WeakPolarHBondContact O-CG 3.48Å; K197-F201 PolarHBondContact O-N 3.35Å; K197-Q317 HydrophobicContact CD-CG 4.4Å
198E76.1Confident83.5Confident97 Ų9741.5 Ų41.545%0.45320%0.2SC..Hα-helixtrans-60.4-48.4179.5-79.459.4-138.100114.1T196 L200 F201 E202T196-E198 CarbonylContact O-C 3.53Å; T196-E198 PolarHBondContact O-N 2.85Å; E198-L200 PolarHBondContact O-N 3.23Å; E198-F201 PolarHBondContact O-N 2.98Å; E198-E202 PolarHBondContact O-N 3.27Å
199R75Confident83.1Confident62 Ų6243.9 Ų43.923%0.23421%0.209CC..Hα-helixtrans-63.6-40.5177.2-64.8-171.4-168.313012.6112.1T196 E202 G203 E324 D345T196-R199 WeakPolarHBondContact O-CA 3.41Å; T196-R199 PolarHBondContact O-N 2.83Å; R199-E202 PolarHBondContact O-N 3.3Å; R199-G203 PolarHBondContact O-N 3.32Å; R199-E324 VanDerWaalsContact CD-OE1 3.27Å; R199-E324 WeakPolarHBondContact CD-OE1 3.27Å; R199-E324 IonicContact CZ-OE1 2.79Å; R199-E324 IonicContact NE-OE1 3.1Å; R199-E324 IonicContact NH1-OE1 3.82Å; R199-E324 PolarHBondContact NH1-OE1 3.5Å; R199-E324 IonicContact NH1-OE2 3.3Å; R199-E324 PolarHBondContact NH1-OE2 2.8Å; R199-D345 IonicContact CZ-OD1 3.76Å; R199-D345 IonicContact CZ-OD2 3.26Å; R199-D345 VanDerWaalsContact CZ-OD2 3.27Å; R199-D345 IonicContact NE-OD2 2.81Å; R199-D345 PolarHBondContact NE-OD2 3.32Å; R199-D345 IonicContact NH2-OD1 3.85Å; R199-D345 PolarHBondContact NH2-OD1 2.8Å; R199-D345 IonicContact NH2-OD2 2.68Å; R199-D345 PolarHBondContact NH2-OD2 2.89Å
200L81.1Confident82.8Confident1 Ų148.4 Ų48.41%0.00523%0.228CC..Hα-helixtrans-60.8-47.1175.3174.563.7000111P157 H158 F193 G195 T196 K197 E198 E202 G203 I204P157-L200 HydrophobicContact CB-CD2 3.77Å; H158-L200 VanDerWaalsContact CD2-CD1 3.47Å; H158-L200 WeakPolarHBondContact CD2-CD1 3.25Å; F193-L200 HydrophobicContact CB-CD1 3.7Å; G195-L200 WeakPolarHBondContact O-CB 3.28Å; T196-L200 PolarHBondContact O-N 3.01Å; K197-L200 PolarHBondContact O-N 2.98Å; E198-L200 PolarHBondContact O-N 3.23Å; L200-E202 PolarHBondContact O-N 2.74Å; L200-G203 PolarHBondContact O-N 3.28Å; L200-I204 HydrophobicContact CD1-CD1 3.98Å; L200-I204 HydrophobicContact CD1-CG1 4.41Å; L200-I204 HydrophobicContact CG-CD1 3.98Å; L200-I204 WeakPolarHBondContact O-CG1 3.23Å; L200-I204 PolarHBondContact O-N 2.8Å
201F87.3Confident82.8Confident20 Ų2049.3 Ų49.39%0.08823%0.231CC..Hα-helixtrans-62.8-39.7176.7-68.3-29000112.3R153 P157 M160 V165 K197 E198 I205R153-F201 VanDerWaalsContact NH1-CE2 3.27Å; P157-F201 HydrophobicContact CB-CE1 4.08Å; P157-F201 HydrophobicContact CB-CZ 4.5Å; M160-F201 HydrophobicContact SD-CE1 4.22Å; V165-F201 HydrophobicContact CB-CD1 4.28Å; V165-F201 HydrophobicContact CG1-CB 3.41Å; V165-F201 VanDerWaalsContact CG1-CB 3.41Å; V165-F201 HydrophobicContact CG1-CD1 3.42Å; V165-F201 VanDerWaalsContact CG1-CD1 3.42Å; V165-F201 HydrophobicContact CG1-CD2 4.45Å; V165-F201 HydrophobicContact CG1-CE1 4.29Å; V165-F201 HydrophobicContact CG1-CG 3.51Å; V165-F201 HydrophobicContact CG2-CD1 3.84Å; V165-F201 HydrophobicContact CG2-CE1 4.28Å; K197-F201 HydrophobicContact CG-CD2 4.31Å; K197-F201 HydrophobicContact CG-CE2 3.76Å; K197-F201 WeakPolarHBondContact O-CB 3.38Å; K197-F201 WeakPolarHBondContact O-CD2 3.24Å; K197-F201 WeakPolarHBondContact O-CG 3.48Å; K197-F201 PolarHBondContact O-N 3.35Å; E198-F201 PolarHBondContact O-N 2.98Å; F201-I205 WeakPolarHBondContact O-CB 3.31Å; F201-I205 VanDerWaalsContact O-CG1 3.27Å; F201-I205 WeakPolarHBondContact O-CG1 3.49Å; F201-I205 PolarHBondContact O-N 2.95Å
202E87.7Confident82.6Confident104 Ų10451.5 Ų51.549%0.48624%0.242SC..Hα-helixtrans-64.3-42.5171.2-76.6-167-164.200112.9E198 R199 L200 I204 I205 K206E198-E202 PolarHBondContact O-N 3.27Å; R199-E202 PolarHBondContact O-N 3.3Å; L200-E202 PolarHBondContact O-N 2.74Å; E202-I204 PolarHBondContact O-N 3.1Å; E202-I205 PolarHBondContact O-N 3.13Å; E202-K206 HydrophobicContact CB-CD 4.35Å; E202-K206 WeakPolarHBondContact O-CB 3.34Å; E202-K206 WeakPolarHBondContact O-CD 3.15Å; E202-K206 WeakPolarHBondContact O-CG 3.45Å; E202-K206 PolarHBondContact O-N 3.24Å; E202-K206 IonicContact OE2-NZ 2.81Å; E202-K206 PolarHBondContact OE2-NZ 3.17Å
203G86.4Confident82.1Confident18 Ų1855.9 Ų55.919%0.18627%0.271CS..Hα-helixtrans-60.9-43.4178.300000112.4R199 L200 G207 K208R199-G203 PolarHBondContact O-N 3.32Å; L200-G203 PolarHBondContact O-N 3.28Å; G203-G207 PolarHBondContact O-N 2.91Å; G203-K208 PolarHBondContact O-N 3.03Å; G203-K208 VanDerWaalsContact O-N 3.09Å
204I92.6Very high81.8Confident0 Ų062.5 Ų62.50%030%0.296CS..Hα-helixtrans-62.4-53.3173.1-70.9165.6000110.7P157 P162 V165 W177 F193 L200 E202 K206 G207 L233P157-I204 WeakPolarHBondContact O-CD1 3.43Å; P162-I204 HydrophobicContact CG-CG2 4.15Å; V165-I204 HydrophobicContact CB-CG2 4.5Å; V165-I204 HydrophobicContact CG2-CB 4.48Å; V165-I204 HydrophobicContact CG2-CD1 4.28Å; V165-I204 HydrophobicContact CG2-CG2 3.84Å; W177-I204 HydrophobicContact CZ2-CG2 3.9Å; F193-I204 HydrophobicContact CB-CG1 4.08Å; F193-I204 HydrophobicContact CD1-CG1 4.24Å; F193-I204 HydrophobicContact CD2-CG1 3.74Å; F193-I204 HydrophobicContact CE2-CG1 4.26Å; F193-I204 HydrophobicContact CG-CG1 3.74Å; L200-I204 HydrophobicContact CD1-CD1 3.98Å; L200-I204 HydrophobicContact CD1-CG1 4.41Å; L200-I204 HydrophobicContact CG-CD1 3.98Å; L200-I204 WeakPolarHBondContact O-CG1 3.23Å; L200-I204 PolarHBondContact O-N 2.8Å; E202-I204 PolarHBondContact O-N 3.1Å; I204-K206 VanDerWaalsContact C-N 3.3Å; I204-K206 PolarHBondContact O-N 3.34Å; I204-G207 PolarHBondContact O-N 2.88Å; I204-G207 VanDerWaalsContact O-N 3.08Å; I204-L233 WeakPolarHBondContact O-CD2 3.45Å
205I93.4Very high82.3Confident63 Ų6359.9 Ų59.932%0.32329%0.286SS..Hα-helixtrans-61.4-37.4-178.9-73.8170.5000112V165 K166 F201 E202 G207 L233V165-I205 HydrophobicContact CB-CD1 4.46Å; V165-I205 HydrophobicContact CB-CG1 4.35Å; V165-I205 HydrophobicContact CG1-CD1 3.76Å; V165-I205 HydrophobicContact CG1-CG1 4.02Å; K166-I205 HydrophobicContact CG-CD1 3.74Å; K166-I205 HydrophobicContact CG-CG1 3.96Å; F201-I205 WeakPolarHBondContact O-CB 3.31Å; F201-I205 VanDerWaalsContact O-CG1 3.27Å; F201-I205 WeakPolarHBondContact O-CG1 3.49Å; F201-I205 PolarHBondContact O-N 2.95Å; E202-I205 PolarHBondContact O-N 3.13Å; I205-G207 VanDerWaalsContact C-N 3.32Å; I205-L233 WeakPolarHBondContact O-CD2 3.49Å
206K92.3Very high83.7Confident110 Ų11060.3 Ų60.348%0.47829%0.287SS..THydrogen-bonded Turntrans-82.4-8.2179-65.7166.9-179.1175.30112.9E202 I204 K208E202-K206 HydrophobicContact CB-CD 4.35Å; E202-K206 WeakPolarHBondContact O-CB 3.34Å; E202-K206 WeakPolarHBondContact O-CD 3.15Å; E202-K206 WeakPolarHBondContact O-CG 3.45Å; E202-K206 PolarHBondContact O-N 3.24Å; E202-K206 IonicContact OE2-NZ 2.81Å; E202-K206 PolarHBondContact OE2-NZ 3.17Å; I204-K206 VanDerWaalsContact C-N 3.3Å; I204-K206 PolarHBondContact O-N 3.34Å; K206-K208 HydrophobicContact CB-CD 4.27Å; K206-K208 HydrophobicContact CB-CG 4.05Å; K206-K208 PolarHBondContact O-N 3.41Å
207G87.4Confident84.9Confident19 Ų1962.2 Ų62.220%0.19630%0.302CS..THydrogen-bonded Turntrans6520.2-179.900000114.2G203 I204 I205 Y209G203-G207 PolarHBondContact O-N 2.91Å; I204-G207 PolarHBondContact O-N 2.88Å; I204-G207 VanDerWaalsContact O-N 3.08Å; I205-G207 VanDerWaalsContact C-N 3.32Å; G207-Y209 WeakPolarHBondContact O-CD1 3.46Å; G207-Y209 PolarHBondContact O-N 3.16Å
208K82.1Confident85.7Confident163 Ų16364 Ų6471%0.70931%0.311SS*.  trans-90.987-169.8-72.4-172.4176.5-171.20111.6G203 K206G203-K208 PolarHBondContact O-N 3.03Å; G203-K208 VanDerWaalsContact O-N 3.09Å; K206-K208 HydrophobicContact CB-CD 4.27Å; K206-K208 HydrophobicContact CB-CG 4.05Å; K206-K208 PolarHBondContact O-N 3.41Å
209Y87.1Confident86.6Confident50 Ų5059.6 Ų59.620%0.19629%0.291CS..  trans-112.4155.2168.759.3-93.8000111.7F184 P192 F193 G207 M211 R228 L231F184-Y209 HydrophobicContact CD2-CD2 4.39Å; F184-Y209 AromaticContact CE2-CD2 3.79Å; F184-Y209 HydrophobicContact CE2-CD2 3.79Å; F184-Y209 HydrophobicContact CE2-CE2 4.41Å; P192-Y209 HydrophobicContact CB-CG 4.17Å; P192-Y209 WeakPolarHBondContact O-CA 3.18Å; P192-Y209 WeakPolarHBondContact O-CB 3.23Å; F193-Y209 AromaticContact CE1-CD1 3.82Å; F193-Y209 HydrophobicContact CE1-CD1 3.82Å; F193-Y209 HydrophobicContact CE1-CG 4.41Å; F193-Y209 AromaticContact CZ-CD1 3.75Å; F193-Y209 HydrophobicContact CZ-CD1 3.75Å; G207-Y209 WeakPolarHBondContact O-CD1 3.46Å; G207-Y209 PolarHBondContact O-N 3.16Å; Y209-M211 HydrophobicContact CE2-CE 4.22Å; Y209-R228 WeakPolarHBondContact OH-CA 3.23Å; Y209-L231 HydrophobicContact CD1-CD1 4.11Å; Y209-L231 HydrophobicContact CE1-CB 3.75Å; Y209-L231 HydrophobicContact CE1-CD1 3.85Å; Y209-L231 HydrophobicContact CE1-CG 4.47Å; Y209-L231 HydrophobicContact CE2-CD1 4.45Å
210K83Confident87.6Confident97 Ų9756.8 Ų56.842%0.42228%0.281SS..  trans-116.3118.8-178.1-71.7-178.9174-1790112N212 D335K210-N212 VanDerWaalsContact C-N 3.33Å; K210-N212 PolarHBondContact O-N 2.87Å; K210-D335 WeakPolarHBondContact CE-OD1 3.34Å; K210-D335 IonicContact NZ-OD1 2.69Å; K210-D335 PolarHBondContact NZ-OD1 3.2Å; K210-D335 IonicContact NZ-OD2 3.17Å; K210-D335 PolarHBondContact NZ-OD2 2.87Å
211M89.2Confident88.3Confident42 Ų4261.6 Ų61.621%0.20730%0.303CS..  trans-78.880.1167.5-72.3176.1168.200109.8F184 Y209 W216 K224 V227 R228F184-M211 HydrophobicContact CE2-CG 4.25Å; Y209-M211 HydrophobicContact CE2-CE 4.22Å; M211-W216 VanDerWaalsContact C-CD1 3.46Å; M211-W216 HydrophobicContact CB-CB 3.94Å; M211-W216 HydrophobicContact CB-CD2 3.86Å; M211-W216 HydrophobicContact CB-CE3 4.41Å; M211-W216 HydrophobicContact CB-CG 3.64Å; M211-W216 HydrophobicContact CE-CE3 4.17Å; M211-W216 HydrophobicContact CE-CH2 4.13Å; M211-W216 HydrophobicContact CE-CZ3 3.81Å; M211-W216 HydrophobicContact CG-CD2 3.74Å; M211-W216 HydrophobicContact CG-CE3 3.97Å; M211-W216 HydrophobicContact CG-CG 4.1Å; M211-W216 HydrophobicContact CG-CZ2 4.4Å; M211-W216 HydrophobicContact CG-CZ3 4.39Å; M211-W216 HydrophobicContact SD-CD2 4.47Å; M211-W216 HydrophobicContact SD-CE3 4.12Å; M211-W216 HydrophobicContact SD-CZ3 4.37Å; M211-K224 HydrophobicContact CE-CB 3.81Å; M211-K224 HydrophobicContact CE-CG 3.91Å; M211-K224 HydrophobicContact SD-CB 4.01Å; M211-K224 HydrophobicContact SD-CD 3.99Å; M211-K224 HydrophobicContact SD-CG 3.8Å; M211-V227 HydrophobicContact CE-CB 4.01Å; M211-V227 HydrophobicContact CE-CG1 3.67Å; M211-R228 HydrophobicContact CE-CG 4.36Å
212N83.4Confident88.8Confident53 Ų5361.6 Ų61.628%0.28331%0.306SS..  trans-55.6124.2-176.9-175.5-31.2000111.4K210 R214 Q215 W216 D330K210-N212 VanDerWaalsContact C-N 3.33Å; K210-N212 PolarHBondContact O-N 2.87Å; N212-R214 PolarHBondContact O-N 2.85Å; N212-R214 WeakPolarHBondContact OD1-CB 3.35Å; N212-R214 PolarHBondContact OD1-N 3.09Å; N212-Q215 PolarHBondContact O-N 2.84Å; N212-Q215 VanDerWaalsContact O-N 3.13Å; N212-W216 WeakPolarHBondContact O-CB 3.45Å; N212-W216 VanDerWaalsContact O-CD1 3.31Å; N212-W216 PolarHBondContact O-N 3.33Å; N212-D330 PolarHBondContact ND2-O 3.34Å
213P79.6Confident89.3Confident99 Ų9956.7 Ų56.764%0.64328%0.283SS*.Hα-helixtrans-54.5-24.8-178.8-28.836000115.2Q215 S217P213-Q215 VanDerWaalsContact C-N 3.27Å; P213-Q215 PolarHBondContact O-N 2.89Å; P213-S217 WeakPolarHBondContact O-CB 3.32Å; P213-S217 PolarHBondContact O-N 2.91Å; P213-S217 VanDerWaalsContact O-N 3.16Å; P213-S217 PolarHBondContact O-OG 2.83Å
214R82.3Confident89.9Confident144 Ų14456.6 Ų56.654%0.54328%0.277SS..Hα-helixtrans-60-34.1178.2-176.4-179.9-174.717310.6113.2N212 D330N212-R214 PolarHBondContact O-N 2.85Å; N212-R214 WeakPolarHBondContact OD1-CB 3.35Å; N212-R214 PolarHBondContact OD1-N 3.09Å; R214-D330 IonicContact CZ-OD1 2.6Å; R214-D330 IonicContact NH1-OD1 2.79Å; R214-D330 PolarHBondContact NH1-OD1 2.94Å
215Q85.6Confident90.1Very high9 Ų958.9 Ų58.94%0.04229%0.289CS..Hα-helixtrans-106.6-39.2176-62.182.34.500111.5N212 P213 S217 E264N212-Q215 PolarHBondContact O-N 2.84Å; N212-Q215 VanDerWaalsContact O-N 3.13Å; P213-Q215 VanDerWaalsContact C-N 3.27Å; P213-Q215 PolarHBondContact O-N 2.89Å; Q215-S217 PolarHBondContact O-N 3.04Å; Q215-E264 HydrophobicContact CG-CB 4.45Å
216W92.3Very high90.4Very high9 Ų955.9 Ų55.93%0.03427%0.274CS..Hα-helixtrans-88.3-0.3-169-67.387.4000114.8F184 L187 M211 N212 I219 K224 V227F184-W216 AromaticContact CD1-CZ2 3.96Å; F184-W216 HydrophobicContact CD1-CZ2 3.96Å; F184-W216 AromaticContact CD2-CH2 3.86Å; F184-W216 HydrophobicContact CD2-CH2 3.86Å; F184-W216 AromaticContact CD2-CZ2 3.45Å; F184-W216 HydrophobicContact CD2-CZ2 3.45Å; F184-W216 VanDerWaalsContact CD2-CZ2 3.45Å; F184-W216 AromaticContact CE1-CZ2 3.93Å; F184-W216 HydrophobicContact CE1-CZ2 3.93Å; F184-W216 AromaticContact CE2-CE2 3.98Å; F184-W216 HydrophobicContact CE2-CH2 4.14Å; F184-W216 AromaticContact CE2-CZ2 3.42Å; F184-W216 HydrophobicContact CE2-CZ2 3.42Å; F184-W216 VanDerWaalsContact CE2-CZ2 3.42Å; F184-W216 HydrophobicContact CG-CH2 4.23Å; F184-W216 AromaticContact CG-CZ2 3.73Å; F184-W216 HydrophobicContact CG-CZ2 3.73Å; F184-W216 AromaticContact CZ-CE2 3.95Å; F184-W216 AromaticContact CZ-CZ2 3.67Å; F184-W216 HydrophobicContact CZ-CZ2 3.67Å; F184-W216 AromaticContact CZ-NE1 3.79Å; L187-W216 HydrophobicContact CB-CH2 3.88Å; L187-W216 HydrophobicContact CB-CZ2 4.43Å; L187-W216 HydrophobicContact CB-CZ3 4.17Å; L187-W216 HydrophobicContact CD1-CH2 3.98Å; L187-W216 HydrophobicContact CD1-CZ3 3.97Å; M211-W216 VanDerWaalsContact C-CD1 3.46Å; M211-W216 HydrophobicContact CB-CB 3.94Å; M211-W216 HydrophobicContact CB-CD2 3.86Å; M211-W216 HydrophobicContact CB-CE3 4.41Å; M211-W216 HydrophobicContact CB-CG 3.64Å; M211-W216 HydrophobicContact CE-CE3 4.17Å; M211-W216 HydrophobicContact CE-CH2 4.13Å; M211-W216 HydrophobicContact CE-CZ3 3.81Å; M211-W216 HydrophobicContact CG-CD2 3.74Å; M211-W216 HydrophobicContact CG-CE3 3.97Å; M211-W216 HydrophobicContact CG-CG 4.1Å; M211-W216 HydrophobicContact CG-CZ2 4.4Å; M211-W216 HydrophobicContact CG-CZ3 4.39Å; M211-W216 HydrophobicContact SD-CD2 4.47Å; M211-W216 HydrophobicContact SD-CE3 4.12Å; M211-W216 HydrophobicContact SD-CZ3 4.37Å; N212-W216 WeakPolarHBondContact O-CB 3.45Å; N212-W216 VanDerWaalsContact O-CD1 3.31Å; N212-W216 PolarHBondContact O-N 3.33Å; W216-I219 HydrophobicContact CE3-CB 4.07Å; W216-I219 HydrophobicContact CE3-CG1 4.21Å; W216-I219 HydrophobicContact CE3-CG2 3.91Å; W216-I219 HydrophobicContact CZ3-CG2 4Å; W216-K224 HydrophobicContact CE3-CD 4.23Å; W216-K224 HydrophobicContact CE3-CG 3.69Å; W216-K224 HydrophobicContact CZ3-CG 3.83Å; W216-K224 WeakPolarHBondContact O-CE 3.31Å; W216-K224 PolarHBondContact O-NZ 2.91Å; W216-V227 HydrophobicContact CH2-CG1 4.45Å; W216-V227 HydrophobicContact CH2-CG2 4.2Å
217S88.6Confident90.7Very high67 Ų6750.6 Ų50.647%0.46925%0.251SS..THydrogen-bonded Turntrans-63.6-42.7171.4540000112.6P213 Q215P213-S217 WeakPolarHBondContact O-CB 3.32Å; P213-S217 PolarHBondContact O-N 2.91Å; P213-S217 VanDerWaalsContact O-N 3.16Å; P213-S217 PolarHBondContact O-OG 2.83Å; Q215-S217 PolarHBondContact O-N 3.04Å
218H87.5Confident91.2Very high117 Ų11754.4 Ų54.454%0.54226%0.259SS..SBendtrans-89.1-7.6-174.5-61.3-60.8000113.6Y258H218-Y258 WeakPolarHBondContact O-CD2 3.37Å
219I95.6Very high92Very high4 Ų452 Ų522%0.02125%0.246CC..SBendtrans-82136.6176.9-56.7-58.9000110.3E89 L187 W216 A223 K224 L262E89-I219 HydrophobicContact CG-CD1 4.15Å; E89-I219 WeakPolarHBondContact OE1-CA 3.35Å; L187-I219 HydrophobicContact CB-CD1 4.42Å; L187-I219 HydrophobicContact CD1-CG2 4.39Å; L187-I219 HydrophobicContact CD2-CD1 4.32Å; L187-I219 HydrophobicContact CD2-CG2 4.36Å; L187-I219 WeakPolarHBondContact O-CD1 3.42Å; W216-I219 HydrophobicContact CE3-CB 4.07Å; W216-I219 HydrophobicContact CE3-CG1 4.21Å; W216-I219 HydrophobicContact CE3-CG2 3.91Å; W216-I219 HydrophobicContact CZ3-CG2 4Å; I219-A223 HydrophobicContact CG2-CB 3.66Å; I219-K224 HydrophobicContact CG2-CG 4.19Å; I219-K224 WeakPolarHBondContact O-CE 3.46Å; I219-K224 PolarHBondContact O-NZ 3.32Å; I219-L262 HydrophobicContact CD1-CD1 3.76Å; I219-L262 HydrophobicContact CD1-CD2 3.78Å; I219-L262 HydrophobicContact CD1-CG 4.43Å
220S96.2Very high92.5Very high3 Ų349.7 Ų49.72%0.02124%0.237CC..  trans-61.9148.4177.973.70000112.9E89 S222 A223 K224 Y256E89-S220 PolarHBondContact OE1-N 2.74Å; E89-S220 WeakPolarHBondContact OE2-CB 3.5Å; E89-S220 PolarHBondContact OE2-OG 2.81Å; S220-S222 PolarHBondContact O-N 3.18Å; S220-A223 PolarHBondContact O-N 3.08Å; S220-A223 WeakPolarHBondContact OG-CB 3.43Å; S220-A223 PolarHBondContact OG-N 3.1Å; S220-K224 WeakPolarHBondContact O-CG 3.45Å; S220-K224 PolarHBondContact O-N 3.03Å; S220-Y256 PolarHBondContact OG-O 3.48Å
221E95.9Very high93.2Very high103 Ų10345.3 Ų45.348%0.48122%0.218SC..Hα-helixtrans-66.6-20.1171.5-73.2-53.6131.300112.5K224 D225 R228E221-K224 PolarHBondContact O-N 3.12Å; E221-K224 VanDerWaalsContact OE1-CD 3.23Å; E221-K224 WeakPolarHBondContact OE1-CD 3.5Å; E221-K224 IonicContact OE1-NZ 3.85Å; E221-K224 PolarHBondContact OE1-NZ 3.27Å; E221-D225 VanDerWaalsContact O-CB 3.29Å; E221-D225 WeakPolarHBondContact O-CB 3.33Å; E221-D225 PolarHBondContact O-N 3.36Å; E221-R228 IonicContact OE2-CZ 2.63Å; E221-R228 IonicContact OE2-NH1 2.83Å; E221-R228 PolarHBondContact OE2-NH1 3.12Å; E221-R228 IonicContact OE2-NH2 3.68Å; E221-R228 PolarHBondContact OE2-NH2 3.17Å
222S97.6Very high93.7Very high20 Ų2047 Ų4714%0.1423%0.226CC..Hα-helixtrans-71.7-39.6174.3-159.40000111.7S220 L226 H247S220-S222 PolarHBondContact O-N 3.18Å; S222-L226 PolarHBondContact O-N 3.41Å; S222-H247 PolarHBondContact O-CE1 3.08Å; S222-H247 VanDerWaalsContact O-CE1 3.24Å
223A97.7Very high94.3Very high0 Ų047.6 Ų47.60%023%0.229CC..Hα-helixtrans-61.5-44.9170.300000111.4L187 I219 S220 L226 V227 W249L187-A223 HydrophobicContact CD1-CB 3.87Å; L187-A223 HydrophobicContact CD2-CB 4.32Å; I219-A223 HydrophobicContact CG2-CB 3.66Å; S220-A223 PolarHBondContact O-N 3.08Å; S220-A223 WeakPolarHBondContact OG-CB 3.43Å; S220-A223 PolarHBondContact OG-N 3.1Å; A223-L226 PolarHBondContact O-N 2.97Å; A223-V227 WeakPolarHBondContact O-CG2 3.25Å; A223-V227 PolarHBondContact O-N 2.97Å; A223-W249 HydrophobicContact CB-CD2 4.2Å; A223-W249 HydrophobicContact CB-CG 4.3Å; A223-W249 HydrophobicContact CB-CZ2 4.16Å
224K98Very high95.1Very high16 Ų1646.9 Ų46.97%0.0722%0.22CC..Hα-helixtrans-67.4-37.5-179.9-64.2170.9-154.2159.40112.8M211 W216 I219 S220 E221 V227 R228M211-K224 HydrophobicContact CE-CB 3.81Å; M211-K224 HydrophobicContact CE-CG 3.91Å; M211-K224 HydrophobicContact SD-CB 4.01Å; M211-K224 HydrophobicContact SD-CD 3.99Å; M211-K224 HydrophobicContact SD-CG 3.8Å; W216-K224 HydrophobicContact CE3-CD 4.23Å; W216-K224 HydrophobicContact CE3-CG 3.69Å; W216-K224 HydrophobicContact CZ3-CG 3.83Å; W216-K224 WeakPolarHBondContact O-CE 3.31Å; W216-K224 PolarHBondContact O-NZ 2.91Å; I219-K224 HydrophobicContact CG2-CG 4.19Å; I219-K224 WeakPolarHBondContact O-CE 3.46Å; I219-K224 PolarHBondContact O-NZ 3.32Å; S220-K224 WeakPolarHBondContact O-CG 3.45Å; S220-K224 PolarHBondContact O-N 3.03Å; E221-K224 PolarHBondContact O-N 3.12Å; E221-K224 VanDerWaalsContact OE1-CD 3.23Å; E221-K224 WeakPolarHBondContact OE1-CD 3.5Å; E221-K224 IonicContact OE1-NZ 3.85Å; E221-K224 PolarHBondContact OE1-NZ 3.27Å; K224-V227 PolarHBondContact O-N 3.24Å; K224-R228 WeakPolarHBondContact O-CB 3.15Å; K224-R228 WeakPolarHBondContact O-CD 3.19Å; K224-R228 WeakPolarHBondContact O-CG 3.5Å; K224-R228 PolarHBondContact O-N 2.85Å
225D98.3Very high95.8Very high48 Ų4842.3 Ų42.326%0.25721%0.209SC..Hα-helixtrans-60.1-46.9173-175.333.1000111.1E221 V227 R228 R229 H247E221-D225 VanDerWaalsContact O-CB 3.29Å; E221-D225 WeakPolarHBondContact O-CB 3.33Å; E221-D225 PolarHBondContact O-N 3.36Å; D225-V227 PolarHBondContact O-N 2.75Å; D225-R228 PolarHBondContact O-N 3.09Å; D225-R229 VanDerWaalsContact CG-NE 3.25Å; D225-R229 VanDerWaalsContact O-CG 3.31Å; D225-R229 WeakPolarHBondContact O-CG 3.18Å; D225-R229 PolarHBondContact O-N 3.01Å; D225-R229 IonicContact OD1-CZ 3.75Å; D225-R229 IonicContact OD1-NE 3.61Å; D225-R229 PolarHBondContact OD1-NE 2.54Å; D225-R229 IonicContact OD1-NH2 3.18Å; D225-R229 PolarHBondContact OD1-NH2 3.13Å; D225-R229 IonicContact OD2-CZ 3.25Å; D225-R229 IonicContact OD2-NE 3.43Å; D225-R229 PolarHBondContact OD2-NE 3.11Å; D225-R229 VanDerWaalsContact OD2-NE 3.1Å; D225-R229 IonicContact OD2-NH2 3.52Å; D225-R229 PolarHBondContact OD2-NH2 2.92Å; D225-H247 IonicContact OD2-NE2 3.24Å; D225-H247 PolarHBondContact OD2-NE2 3.06Å
226L98.4Very high96.3Very high0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-59.8-46.5175.1-176.958.3000112L183 S222 A223 R228 R229 M230 I239 A244 H247 W249 L250L183-L226 HydrophobicContact CD2-CB 4.36Å; L183-L226 HydrophobicContact CD2-CD2 3.79Å; L183-L226 HydrophobicContact CD2-CG 3.85Å; S222-L226 PolarHBondContact O-N 3.41Å; A223-L226 PolarHBondContact O-N 2.97Å; L226-R228 VanDerWaalsContact C-N 3.35Å; L226-R228 PolarHBondContact O-N 2.92Å; L226-R229 PolarHBondContact O-N 3.04Å; L226-M230 HydrophobicContact CD1-CG 3.99Å; L226-M230 HydrophobicContact CD1-SD 3.79Å; L226-M230 HydrophobicContact CD2-SD 4.32Å; L226-M230 HydrophobicContact CG-CG 4.35Å; L226-M230 HydrophobicContact CG-SD 3.7Å; L226-M230 WeakPolarHBondContact O-CB 3.39Å; L226-M230 VanDerWaalsContact O-CG 3.25Å; L226-M230 WeakPolarHBondContact O-CG 3.16Å; L226-M230 PolarHBondContact O-N 3.49Å; L226-I239 HydrophobicContact CD1-CD1 4.2Å; L226-A244 HydrophobicContact CD1-CB 4.16Å; L226-H247 HydrophobicContact CD1-CB 4.02Å; L226-W249 HydrophobicContact CD2-CE3 3.73Å; L226-W249 HydrophobicContact CD2-CZ3 4.33Å; L226-L250 HydrophobicContact CD2-CD1 3.81Å; L226-L250 HydrophobicContact CD2-CG 3.87Å
227V98.4Very high96.5Very high0 Ų052.4 Ų52.40%027%0.271CS..Hα-helixtrans-57-46.1174.9169.60000111.5L183 F184 L187 M211 W216 A223 K224 D225 R229 M230 L231L183-V227 HydrophobicContact CB-CG2 4.33Å; L183-V227 HydrophobicContact CD2-CG2 3.64Å; L183-V227 HydrophobicContact CG-CG2 3.65Å; F184-V227 HydrophobicContact CD2-CG1 3.93Å; L187-V227 HydrophobicContact CD1-CG2 3.8Å; M211-V227 HydrophobicContact CE-CB 4.01Å; M211-V227 HydrophobicContact CE-CG1 3.67Å; W216-V227 HydrophobicContact CH2-CG1 4.45Å; W216-V227 HydrophobicContact CH2-CG2 4.2Å; A223-V227 WeakPolarHBondContact O-CG2 3.25Å; A223-V227 PolarHBondContact O-N 2.97Å; K224-V227 PolarHBondContact O-N 3.24Å; D225-V227 PolarHBondContact O-N 2.75Å; V227-R229 VanDerWaalsContact C-N 3.34Å; V227-R229 PolarHBondContact O-N 3.29Å; V227-M230 PolarHBondContact O-N 2.86Å; V227-L231 HydrophobicContact CG1-CD1 4Å; V227-L231 WeakPolarHBondContact O-CB 3.21Å; V227-L231 PolarHBondContact O-N 3.34Å
228R98.2Very high97Very high98 Ų9849.5 Ų49.537%0.3725%0.25SC..Hα-helixtrans-61.1-40.8178.9-70.4160.9-168.1142-1.6112.1Y209 M211 E221 K224 D225 L226 L231 M232Y209-R228 WeakPolarHBondContact OH-CA 3.23Å; M211-R228 HydrophobicContact CE-CG 4.36Å; E221-R228 IonicContact OE2-CZ 2.63Å; E221-R228 IonicContact OE2-NH1 2.83Å; E221-R228 PolarHBondContact OE2-NH1 3.12Å; E221-R228 IonicContact OE2-NH2 3.68Å; E221-R228 PolarHBondContact OE2-NH2 3.17Å; K224-R228 WeakPolarHBondContact O-CB 3.15Å; K224-R228 WeakPolarHBondContact O-CD 3.19Å; K224-R228 WeakPolarHBondContact O-CG 3.5Å; K224-R228 PolarHBondContact O-N 2.85Å; D225-R228 PolarHBondContact O-N 3.09Å; L226-R228 VanDerWaalsContact C-N 3.35Å; L226-R228 PolarHBondContact O-N 2.92Å; R228-L231 CarbonylContact O-C 3.53Å; R228-M232 PolarHBondContact O-N 3.08Å
229R98.4Very high97.5Very high114 Ų11444.8 Ų44.843%0.4323%0.228SC..Hα-helixtrans-73.3-35178.9-66.9176.2-166-128.614.4113.5D225 L226 V227 M232 I239D225-R229 VanDerWaalsContact CG-NE 3.25Å; D225-R229 VanDerWaalsContact O-CG 3.31Å; D225-R229 WeakPolarHBondContact O-CG 3.18Å; D225-R229 PolarHBondContact O-N 3.01Å; D225-R229 IonicContact OD1-CZ 3.75Å; D225-R229 IonicContact OD1-NE 3.61Å; D225-R229 PolarHBondContact OD1-NE 2.54Å; D225-R229 IonicContact OD1-NH2 3.18Å; D225-R229 PolarHBondContact OD1-NH2 3.13Å; D225-R229 IonicContact OD2-CZ 3.25Å; D225-R229 IonicContact OD2-NE 3.43Å; D225-R229 PolarHBondContact OD2-NE 3.11Å; D225-R229 VanDerWaalsContact OD2-NE 3.1Å; D225-R229 IonicContact OD2-NH2 3.52Å; D225-R229 PolarHBondContact OD2-NH2 2.92Å; L226-R229 PolarHBondContact O-N 3.04Å; V227-R229 VanDerWaalsContact C-N 3.34Å; V227-R229 PolarHBondContact O-N 3.29Å; R229-M232 WeakPolarHBondContact O-CB 3.44Å; R229-M232 PolarHBondContact O-N 3.4Å; R229-I239 HydrophobicContact CB-CB 3.96Å; R229-I239 HydrophobicContact CB-CD1 4.32Å; R229-I239 HydrophobicContact CB-CG2 3.81Å; R229-I239 WeakPolarHBondContact O-CG2 3.45Å; R229-I239 PolarHBondContact O-N 3.38Å
230M98.6Very high97.6Very high0 Ų047.4 Ų47.40%025%0.245CC..Hα-helixtrans-74-33.4175.6-65.8174.984.300111.9L100 V176 C179 L183 L226 V227 M232 R238 I239L100-M230 HydrophobicContact CD1-CE 4.34Å; L100-M230 HydrophobicContact CD2-CE 3.97Å; V176-M230 HydrophobicContact CG1-CB 4.37Å; V176-M230 HydrophobicContact CG1-CE 3.88Å; V176-M230 HydrophobicContact CG1-CG 4.02Å; C179-M230 HydrophobicContact CB-CE 3.43Å; C179-M230 VanDerWaalsContact CB-CE 3.43Å; L183-M230 HydrophobicContact CD2-SD 3.89Å; L226-M230 HydrophobicContact CD1-CG 3.99Å; L226-M230 HydrophobicContact CD1-SD 3.79Å; L226-M230 HydrophobicContact CD2-SD 4.32Å; L226-M230 HydrophobicContact CG-CG 4.35Å; L226-M230 HydrophobicContact CG-SD 3.7Å; L226-M230 WeakPolarHBondContact O-CB 3.39Å; L226-M230 VanDerWaalsContact O-CG 3.25Å; L226-M230 WeakPolarHBondContact O-CG 3.16Å; L226-M230 PolarHBondContact O-N 3.49Å; V227-M230 PolarHBondContact O-N 2.86Å; M230-M232 VanDerWaalsContact C-N 3.29Å; M230-M232 PolarHBondContact O-N 3.05Å; M230-R238 WeakPolarHBondContact O-CD 3.48Å; M230-I239 HydrophobicContact CB-CG2 4.37Å; M230-I239 HydrophobicContact CG-CG2 3.65Å
231L98.2Very high97.7Very high6 Ų647.4 Ų47.43%0.03124%0.244CC..THydrogen-bonded Turntrans-93.430.7172.4-59.5179.8000112.7W177 V181 F184 P192 F193 Y209 V227 R228W177-L231 HydrophobicContact CD2-CD2 3.84Å; W177-L231 HydrophobicContact CE3-CB 4.41Å; W177-L231 HydrophobicContact CE3-CD2 4.08Å; W177-L231 HydrophobicContact CG-CD2 4.29Å; W177-L231 HydrophobicContact CZ2-CD2 4.31Å; W177-L231 VanDerWaalsContact CZ3-C 3.47Å; W177-L231 HydrophobicContact CZ3-CB 4.2Å; W177-L231 HydrophobicContact CZ3-CD2 4.41Å; W177-L231 WeakPolarHBondContact CZ3-O 3.43Å; V181-L231 HydrophobicContact CG2-CD2 3.87Å; F184-L231 HydrophobicContact CD2-CD1 4.46Å; P192-L231 HydrophobicContact CB-CD1 4.11Å; P192-L231 HydrophobicContact CG-CD1 4.36Å; F193-L231 HydrophobicContact CE2-CD2 4.47Å; Y209-L231 HydrophobicContact CD1-CD1 4.11Å; Y209-L231 HydrophobicContact CE1-CB 3.75Å; Y209-L231 HydrophobicContact CE1-CD1 3.85Å; Y209-L231 HydrophobicContact CE1-CG 4.47Å; Y209-L231 HydrophobicContact CE2-CD1 4.45Å; V227-L231 HydrophobicContact CG1-CD1 4Å; V227-L231 WeakPolarHBondContact O-CB 3.21Å; V227-L231 PolarHBondContact O-N 3.34Å; R228-L231 CarbonylContact O-C 3.53Å
232M97.9Very high97.8Very high76 Ų7646.8 Ų46.837%0.37424%0.239SC..  trans-70.2134.1170.9-177.960.578.800110R228 R229 M230 E237 R238R228-M232 PolarHBondContact O-N 3.08Å; R229-M232 WeakPolarHBondContact O-CB 3.44Å; R229-M232 PolarHBondContact O-N 3.4Å; M230-M232 VanDerWaalsContact C-N 3.29Å; M230-M232 PolarHBondContact O-N 3.05Å; M232-E237 HydrophobicContact CG-CB 3.98Å; M232-R238 HydrophobicContact CB-CB 3.97Å; M232-R238 HydrophobicContact CB-CG 4.1Å; M232-R238 HydrophobicContact CG-CB 4.47Å; M232-R238 PolarHBondContact O-NE 2.96Å; M232-R238 PolarHBondContact O-NH2 3.34Å
233L96.6Very high97.9Very high66 Ų6650.9 Ų50.935%0.34626%0.255SS..SBendtrans-66.7-51-176.3-77.3179.2000112.7P162 W177 I204 I205 P235 R238P162-L233 HydrophobicContact CB-CD2 4.21Å; P162-L233 HydrophobicContact CG-CD2 3.51Å; W177-L233 HydrophobicContact CH2-CD2 4.11Å; W177-L233 HydrophobicContact CZ3-CD2 4.3Å; I204-L233 WeakPolarHBondContact O-CD2 3.45Å; I205-L233 WeakPolarHBondContact O-CD2 3.49Å; L233-P235 WeakPolarHBondContact O-CD 3.34Å; L233-R238 PolarHBondContact O-NH2 3Å
234D96.6Very high97.9Very high85 Ų8550.9 Ų50.946%0.45526%0.255SS..SBendtrans-71.5121.8178-167.4-41.4000110A236 E237 R238D234-A236 PolarHBondContact O-N 2.78Å; D234-A236 WeakPolarHBondContact OD1-CB 3.47Å; D234-A236 PolarHBondContact OD1-N 2.91Å; D234-E237 HydrophobicContact CB-CB 4.24Å; D234-E237 HydrophobicContact CB-CG 4.33Å; D234-E237 PolarHBondContact O-N 3.21Å; D234-R238 WeakPolarHBondContact O-CB 3.4Å; D234-R238 PolarHBondContact O-N 3.2Å
235P96.3Very high97.9Very high48 Ų4850.6 Ų50.631%0.31226%0.255SS..THydrogen-bonded Turntrans-69.3-13.7179.629.3-35.5000114.3P173 L233P173-P235 HydrophobicContact CB-CB 3.86Å; P173-P235 HydrophobicContact CG-CB 4.19Å; P173-P235 WeakPolarHBondContact CG-O 3.46Å; L233-P235 WeakPolarHBondContact O-CD 3.34Å
236A96.3Very high97.9Very high85 Ų8552.5 Ų52.570%0.70227%0.265SS*.THydrogen-bonded Turntrans-82.1-36.3173.400000112.3D234D234-A236 PolarHBondContact O-N 2.78Å; D234-A236 WeakPolarHBondContact OD1-CB 3.47Å; D234-A236 PolarHBondContact OD1-N 2.91Å
237E97.4Very high97.9Very high144 Ų14453 Ų5367%0.67327%0.267SS*.THydrogen-bonded Turntrans-86.9-6.3175.3-61.3-65.8134.600112.8M232 D234M232-E237 HydrophobicContact CG-CB 3.98Å; D234-E237 HydrophobicContact CB-CB 4.24Å; D234-E237 HydrophobicContact CB-CG 4.33Å; D234-E237 PolarHBondContact O-N 3.21Å
238R98.4Very high97.8Very high7 Ų755.3 Ų55.33%0.02628%0.282CS..SBendtrans-74.4126.8177.8-167-178-55.2144.89.8110.4E163 P173 M230 M232 L233 D234 T240E163-R238 IonicContact OE1-CZ 3.75Å; E163-R238 IonicContact OE1-NH1 2.72Å; E163-R238 PolarHBondContact OE1-NH1 3.39Å; E163-R238 IonicContact OE1-NH2 3.42Å; E163-R238 PolarHBondContact OE1-NH2 3.04Å; E163-R238 IonicContact OE2-CZ 3.64Å; E163-R238 IonicContact OE2-NH1 3.59Å; E163-R238 IonicContact OE2-NH2 3.64Å; E163-R238 PolarHBondContact OE2-NH2 3.34Å; P173-R238 VanDerWaalsContact C-NH1 3.34Å; P173-R238 WeakPolarHBondContact O-CD 3.45Å; P173-R238 PolarHBondContact O-NH1 2.8Å; M230-R238 WeakPolarHBondContact O-CD 3.48Å; M232-R238 HydrophobicContact CB-CB 3.97Å; M232-R238 HydrophobicContact CB-CG 4.1Å; M232-R238 HydrophobicContact CG-CB 4.47Å; M232-R238 PolarHBondContact O-NE 2.96Å; M232-R238 PolarHBondContact O-NH2 3.34Å; L233-R238 PolarHBondContact O-NH2 3Å; D234-R238 WeakPolarHBondContact O-CB 3.4Å; D234-R238 PolarHBondContact O-N 3.2Å; R238-T240 PolarHBondContact O-N 3.19Å
239I98.6Very high97.8Very high17 Ų1750.6 Ų50.69%0.08726%0.264CS..PPolyproline II helixtrans-52.1132.3-178.4-166.4171.3000111.5V176 L226 R229 M230 E243 A244V176-I239 HydrophobicContact CG1-CG2 4.33Å; V176-I239 WeakPolarHBondContact CG1-O 3.43Å; L226-I239 HydrophobicContact CD1-CD1 4.2Å; R229-I239 HydrophobicContact CB-CB 3.96Å; R229-I239 HydrophobicContact CB-CD1 4.32Å; R229-I239 HydrophobicContact CB-CG2 3.81Å; R229-I239 WeakPolarHBondContact O-CG2 3.45Å; R229-I239 PolarHBondContact O-N 3.38Å; M230-I239 HydrophobicContact CB-CG2 4.37Å; M230-I239 HydrophobicContact CG-CG2 3.65Å; I239-E243 HydrophobicContact CD1-CB 4Å; I239-E243 HydrophobicContact CG1-CB 3.46Å; I239-E243 VanDerWaalsContact CG1-CB 3.46Å; I239-A244 HydrophobicContact CD1-CB 4.26Å; I239-A244 HydrophobicContact CG1-CB 4.42Å
240T98.4Very high97.7Very high60 Ų6045.3 Ų45.337%0.36824%0.244SC..PPolyproline II helixtrans-75.5163175.866.90000111.3R238 Y242 E243 A244R238-T240 PolarHBondContact O-N 3.19Å; T240-Y242 PolarHBondContact O-N 3.31Å; T240-E243 VanDerWaalsContact CB-OE2 3.27Å; T240-E243 WeakPolarHBondContact CB-OE2 3.16Å; T240-E243 WeakPolarHBondContact CG2-OE2 3.43Å; T240-E243 PolarHBondContact N-OE2 3.38Å; T240-E243 PolarHBondContact O-N 3.01Å; T240-E243 WeakPolarHBondContact OG1-CG 3.5Å; T240-E243 PolarHBondContact OG1-N 2.98Å; T240-E243 PolarHBondContact OG1-OE2 3.1Å; T240-A244 WeakPolarHBondContact O-CB 3.48Å; T240-A244 PolarHBondContact O-N 2.96Å
241V98.1Very high97.5Very high2 Ų251.2 Ų51.21%0.01227%0.27CS..Hα-helixtrans-58.6-32.9175.966.60000112.9L100 L103 R104 H107 V176 L245L100-V241 HydrophobicContact CB-CG2 4.17Å; L100-V241 HydrophobicContact CD2-CG2 3.98Å; L100-V241 WeakPolarHBondContact O-CG2 3.45Å; L103-V241 HydrophobicContact CB-CG2 4.23Å; L103-V241 HydrophobicContact CD2-CG2 4.39Å; L103-V241 HydrophobicContact CG-CG2 4.34Å; R104-V241 HydrophobicContact CB-CG1 4.13Å; R104-V241 HydrophobicContact CB-CG2 3.94Å; R104-V241 HydrophobicContact CG-CG1 4.16Å; H107-V241 HydrophobicContact CB-CG1 4.31Å; V176-V241 HydrophobicContact CG2-CB 4.39Å; V241-L245 HydrophobicContact CG2-CD1 4.47Å; V241-L245 WeakPolarHBondContact O-CB 3.36Å; V241-L245 VanDerWaalsContact O-CG 3.31Å; V241-L245 WeakPolarHBondContact O-CG 3.38Å; V241-L245 PolarHBondContact O-N 3.22Å
242Y98.1Very high97.1Very high91 Ų9154.8 Ų54.836%0.35729%0.287SS..Hα-helixtrans-70.5-40.4178-50.9-90.1000112.3R104 D108 T240 N246R104-Y242 HydrophobicContact CG-CD1 3.78Å; R104-Y242 HydrophobicContact CG-CE1 3.42Å; R104-Y242 VanDerWaalsContact CG-CE1 3.42Å; D108-Y242 PolarHBondContact OD1-OH 3.27Å; D108-Y242 VanDerWaalsContact OD1-OH 3.09Å; T240-Y242 PolarHBondContact O-N 3.31Å; Y242-N246 PolarHBondContact O-N 3.37Å; Y242-N246 PolarHBondContact O-ND2 2.79Å
243E98.3Very high96.6Very high105 Ų10555.2 Ų55.249%0.49128%0.284SS..Hα-helixtrans-73.3-39.7176.9-67.7163.4121.800111.2I239 T240 L245 N246 H247I239-E243 HydrophobicContact CD1-CB 4Å; I239-E243 HydrophobicContact CG1-CB 3.46Å; I239-E243 VanDerWaalsContact CG1-CB 3.46Å; T240-E243 VanDerWaalsContact CB-OE2 3.27Å; T240-E243 WeakPolarHBondContact CB-OE2 3.16Å; T240-E243 WeakPolarHBondContact CG2-OE2 3.43Å; T240-E243 PolarHBondContact N-OE2 3.38Å; T240-E243 PolarHBondContact O-N 3.01Å; T240-E243 WeakPolarHBondContact OG1-CG 3.5Å; T240-E243 PolarHBondContact OG1-N 2.98Å; T240-E243 PolarHBondContact OG1-OE2 3.1Å; E243-L245 PolarHBondContact O-N 3.44Å; E243-N246 CarbonylContact O-C 3.52Å; E243-N246 WeakPolarHBondContact O-CA 3.44Å; E243-N246 PolarHBondContact O-N 2.85Å; E243-H247 PolarHBondContact O-N 3.3Å
244A98.4Very high96.1Very high0 Ų056.6 Ų56.60%029%0.292CS..Hα-helixtrans-57.6-48.4173.500000111L100 L226 I239 T240 N246 H247 L250L100-A244 HydrophobicContact CD1-CB 4.14Å; L226-A244 HydrophobicContact CD1-CB 4.16Å; I239-A244 HydrophobicContact CD1-CB 4.26Å; I239-A244 HydrophobicContact CG1-CB 4.42Å; T240-A244 WeakPolarHBondContact O-CB 3.48Å; T240-A244 PolarHBondContact O-N 2.96Å; A244-N246 PolarHBondContact O-N 2.77Å; A244-N246 VanDerWaalsContact O-N 3.17Å; A244-H247 WeakPolarHBondContact O-CB 3.29Å; A244-H247 PolarHBondContact O-N 2.89Å; A244-L250 WeakPolarHBondContact O-CD1 3.39Å
245L98.2Very high95.6Very high11 Ų1160.7 Ų60.76%0.05830%0.301CS..Hα-helixtrans-62.3-20.2174.3-74.7172.4000114.2R97 L100 E101 R104 V241 E243R97-L245 HydrophobicContact CG-CD2 4.39Å; L100-L245 HydrophobicContact CB-CD1 4.45Å; L100-L245 HydrophobicContact CB-CD2 3.61Å; L100-L245 HydrophobicContact CB-CG 3.9Å; E101-L245 HydrophobicContact CG-CD1 4.1Å; E101-L245 HydrophobicContact CG-CD2 3.84Å; R104-L245 HydrophobicContact CB-CD1 4.1Å; V241-L245 HydrophobicContact CG2-CD1 4.47Å; V241-L245 WeakPolarHBondContact O-CB 3.36Å; V241-L245 VanDerWaalsContact O-CG 3.31Å; V241-L245 WeakPolarHBondContact O-CG 3.38Å; V241-L245 PolarHBondContact O-N 3.22Å; E243-L245 PolarHBondContact O-N 3.44Å
246N97.9Very high95.2Very high88 Ų8862 Ų6247%0.47130%0.3SS..Hα-helixtrans-94.2-7.8173.6-83.5-79.4000114.2Y242 E243 A244 K251Y242-N246 PolarHBondContact O-N 3.37Å; Y242-N246 PolarHBondContact O-ND2 2.79Å; E243-N246 CarbonylContact O-C 3.52Å; E243-N246 WeakPolarHBondContact O-CA 3.44Å; E243-N246 PolarHBondContact O-N 2.85Å; A244-N246 PolarHBondContact O-N 2.77Å; A244-N246 VanDerWaalsContact O-N 3.17Å; N246-K251 HydrophobicContact CB-CD 4.47Å; N246-K251 WeakPolarHBondContact O-CD 3.32Å; N246-K251 PolarHBondContact OD1-NZ 2.82Å
247H98.4Very high94.8Very high10 Ų1058.2 Ų58.25%0.04627%0.269CS..SBendtrans-61.7140.3-178.8-169.8-91.3000111.2S222 D225 L226 E243 A244 W249 L250 K251S222-H247 PolarHBondContact O-CE1 3.08Å; S222-H247 VanDerWaalsContact O-CE1 3.24Å; D225-H247 IonicContact OD2-NE2 3.24Å; D225-H247 PolarHBondContact OD2-NE2 3.06Å; L226-H247 HydrophobicContact CD1-CB 4.02Å; E243-H247 PolarHBondContact O-N 3.3Å; A244-H247 WeakPolarHBondContact O-CB 3.29Å; A244-H247 PolarHBondContact O-N 2.89Å; H247-W249 PolarHBondContact ND1-N 2.99Å; H247-W249 PolarHBondContact O-N 3.17Å; H247-W249 VanDerWaalsContact O-N 3.07Å; H247-L250 PolarHBondContact O-N 2.88Å; H247-K251 WeakPolarHBondContact O-CB 3.43Å; H247-K251 PolarHBondContact O-N 2.86Å
248P96.7Very high94.5Very high48 Ų4856.6 Ų56.631%0.31226%0.257SS..Hα-helixtrans-51.8-37.2-175.2-30.736.2000114.9L250 K251 E252 Y256P248-L250 VanDerWaalsContact C-N 3.3Å; P248-L250 PolarHBondContact O-N 3.12Å; P248-K251 PolarHBondContact O-N 2.85Å; P248-E252 CarbonylContact O-C 3.39Å; P248-E252 VanDerWaalsContact O-C 3.29Å; P248-E252 VanDerWaalsContact O-CA 3.32Å; P248-E252 WeakPolarHBondContact O-CA 3.42Å; P248-E252 PolarHBondContact O-N 3.09Å; P248-Y256 HydrophobicContact CB-CD2 3.68Å; P248-Y256 HydrophobicContact CB-CE2 3.79Å; P248-Y256 HydrophobicContact CB-CG 4.06Å
249W97.8Very high94.2Very high0 Ų062.5 Ų62.50%028%0.283CS..Hα-helixtrans-63.9-26.5177.2-167.377000115.1E89 A92 S93 M96 L183 L187 A223 L226 H247 A257E89-W249 HydrophobicContact CB-CZ2 4.14Å; E89-W249 HydrophobicContact CG-CZ2 4.29Å; E89-W249 WeakPolarHBondContact O-CZ2 3.37Å; E89-W249 PolarHBondContact OE2-NE1 2.79Å; A92-W249 HydrophobicContact CB-CH2 4.04Å; A92-W249 HydrophobicContact CB-CZ2 4.38Å; S93-W249 VanDerWaalsContact CA-CH2 3.42Å; S93-W249 VanDerWaalsContact N-CH2 3.29Å; S93-W249 PolarHBondContact OG-O 3.27Å; M96-W249 HydrophobicContact CB-CZ3 4.34Å; L183-W249 HydrophobicContact CD1-CH2 3.55Å; L183-W249 HydrophobicContact CD1-CZ3 3.53Å; L183-W249 HydrophobicContact CD2-CZ3 4.33Å; L187-W249 HydrophobicContact CD2-CH2 4.11Å; L187-W249 HydrophobicContact CD2-CZ2 3.81Å; A223-W249 HydrophobicContact CB-CD2 4.2Å; A223-W249 HydrophobicContact CB-CG 4.3Å; A223-W249 HydrophobicContact CB-CZ2 4.16Å; L226-W249 HydrophobicContact CD2-CE3 3.73Å; L226-W249 HydrophobicContact CD2-CZ3 4.33Å; H247-W249 PolarHBondContact ND1-N 2.99Å; H247-W249 PolarHBondContact O-N 3.17Å; H247-W249 VanDerWaalsContact O-N 3.07Å; W249-A257 HydrophobicContact CG-CB 4.5Å
250L96.6Very high93.8Very high2 Ų267 Ų671%0.0131%0.306CS..Hα-helixtrans-102.6-26.6176.9-65.9-177.4000113.1S93 M96 R97 L100 L226 A244 H247 P248S93-L250 WeakPolarHBondContact O-CD2 3.2Å; M96-L250 HydrophobicContact CB-CD2 4.17Å; R97-L250 HydrophobicContact CB-CD2 4.44Å; R97-L250 PolarHBondContact NE-O 3.21Å; R97-L250 PolarHBondContact NH2-O 2.92Å; L100-L250 HydrophobicContact CD1-CD1 3.41Å; L100-L250 VanDerWaalsContact CD1-CD1 3.41Å; L226-L250 HydrophobicContact CD2-CD1 3.81Å; L226-L250 HydrophobicContact CD2-CG 3.87Å; A244-L250 WeakPolarHBondContact O-CD1 3.39Å; H247-L250 PolarHBondContact O-N 2.88Å; P248-L250 VanDerWaalsContact C-N 3.3Å; P248-L250 PolarHBondContact O-N 3.12Å
251K93.7Very high93.6Very high124 Ų12467.5 Ų67.554%0.53930%0.304SS..Hα-helixtrans-91.6-44.3-177.8-170.5174.3-173.51670113.1N246 H247 P248N246-K251 HydrophobicContact CB-CD 4.47Å; N246-K251 WeakPolarHBondContact O-CD 3.32Å; N246-K251 PolarHBondContact OD1-NZ 2.82Å; H247-K251 WeakPolarHBondContact O-CB 3.43Å; H247-K251 PolarHBondContact O-N 2.86Å; P248-K251 PolarHBondContact O-N 2.85Å
252E91.1Very high93.4Very high81 Ų8167.8 Ų67.838%0.37931%0.305SS..SBendtrans-109.843.2177.8-76.1179.5-113.800110.2P248 D254 R255 Y256P248-E252 CarbonylContact O-C 3.39Å; P248-E252 VanDerWaalsContact O-C 3.29Å; P248-E252 VanDerWaalsContact O-CA 3.32Å; P248-E252 WeakPolarHBondContact O-CA 3.42Å; P248-E252 PolarHBondContact O-N 3.09Å; E252-D254 VanDerWaalsContact C-N 3.26Å; E252-D254 PolarHBondContact O-N 2.81Å; E252-D254 VanDerWaalsContact O-N 3.12Å; E252-R255 HydrophobicContact CB-CB 4.42Å; E252-R255 WeakPolarHBondContact O-CA 3.5Å; E252-R255 WeakPolarHBondContact O-CB 3.33Å; E252-R255 PolarHBondContact O-N 3.38Å; E252-R255 VanDerWaalsContact OE2-CD 3.29Å; E252-R255 WeakPolarHBondContact OE2-CD 3.49Å; E252-R255 IonicContact OE2-CZ 2.65Å; E252-R255 IonicContact OE2-NE 3.73Å; E252-R255 IonicContact OE2-NH1 2.89Å; E252-R255 PolarHBondContact OE2-NH1 3.44Å; E252-Y256 HydrophobicContact CB-CD2 3.59Å; E252-Y256 HydrophobicContact CB-CE2 3.86Å; E252-Y256 PolarHBondContact O-N 3.2Å
253R87.8Confident93.1Very high85 Ų8566.2 Ų66.232%0.32131%0.307SS..Hα-helixtrans-44-48.6-176.2177-165.566.1-175.1-4.1113.1A90 S93 R255 Y256 A257A90-R253 HydrophobicContact CB-CG 4.41Å; A90-R253 WeakPolarHBondContact O-CD 3.46Å; S93-R253 WeakPolarHBondContact OG-CG 3.46Å; R253-R255 PolarHBondContact O-N 3.46Å; R253-R255 VanDerWaalsContact O-N 3.08Å; R253-Y256 PolarHBondContact O-N 3.22Å; R253-A257 HydrophobicContact CG-CB 3.86Å; R253-A257 WeakPolarHBondContact O-CA 3.4Å; R253-A257 WeakPolarHBondContact O-CB 3.45Å; R253-A257 PolarHBondContact O-N 2.95Å
254D84.3Confident92.6Very high95 Ų9565 Ų6551%0.50830%0.301SS..Hα-helixtrans-67.9-7.7-176-73.2-91.3000114.5E252 K259E252-D254 VanDerWaalsContact C-N 3.26Å; E252-D254 PolarHBondContact O-N 2.81Å; E252-D254 VanDerWaalsContact O-N 3.12Å; D254-K259 VanDerWaalsContact OD1-CE 3.32Å; D254-K259 WeakPolarHBondContact OD1-CE 3.35Å; D254-K259 IonicContact OD1-NZ 3.7Å; D254-K259 PolarHBondContact OD1-NZ 3.29Å
255R87.4Confident92.4Very high171 Ų17165.1 Ų65.165%0.64530%0.302SS*.Hα-helixtrans-108.8-34.1175.1-174.3-178.7-176.9-165.52.6113.3E252 R253E252-R255 HydrophobicContact CB-CB 4.42Å; E252-R255 WeakPolarHBondContact O-CA 3.5Å; E252-R255 WeakPolarHBondContact O-CB 3.33Å; E252-R255 PolarHBondContact O-N 3.38Å; E252-R255 VanDerWaalsContact OE2-CD 3.29Å; E252-R255 WeakPolarHBondContact OE2-CD 3.49Å; E252-R255 IonicContact OE2-CZ 2.65Å; E252-R255 IonicContact OE2-NE 3.73Å; E252-R255 IonicContact OE2-NH1 2.89Å; E252-R255 PolarHBondContact OE2-NH1 3.44Å; R253-R255 PolarHBondContact O-N 3.46Å; R253-R255 VanDerWaalsContact O-N 3.08Å
256Y87.6Confident92.1Very high76 Ų7664.9 Ų64.930%0.29830%0.301SS..Hα-helixtrans-113.4-16.2-171.8-69-78000115.8S220 P248 E252 R253S220-Y256 PolarHBondContact OG-O 3.48Å; P248-Y256 HydrophobicContact CB-CD2 3.68Å; P248-Y256 HydrophobicContact CB-CE2 3.79Å; P248-Y256 HydrophobicContact CB-CG 4.06Å; E252-Y256 HydrophobicContact CB-CD2 3.59Å; E252-Y256 HydrophobicContact CB-CE2 3.86Å; E252-Y256 PolarHBondContact O-N 3.2Å; R253-Y256 PolarHBondContact O-N 3.22Å
257A87.4Confident91.5Very high5 Ų564.3 Ų64.34%0.04130%0.295CS..SBendtrans-105.8115.5177.800000110E89 A90 W249 R253E89-A257 HydrophobicContact CB-CB 4.22Å; A90-A257 HydrophobicContact CB-CB 4.42Å; W249-A257 HydrophobicContact CG-CB 4.5Å; R253-A257 HydrophobicContact CG-CB 3.86Å; R253-A257 WeakPolarHBondContact O-CA 3.4Å; R253-A257 WeakPolarHBondContact O-CB 3.45Å; R253-A257 PolarHBondContact O-N 2.95Å
258Y90.9Very high90.8Very high110 Ų11064.1 Ų64.143%0.43129%0.294SS..  trans-66.8143.5-174-59.9-27.4000113.1E89 A90 H218 I260E89-Y258 WeakPolarHBondContact CB-O 3.31Å; E89-Y258 PolarHBondContact N-O 3.17Å; E89-Y258 VanDerWaalsContact OE1-CD2 3.25Å; E89-Y258 WeakPolarHBondContact OE1-CD2 3.45Å; A90-Y258 PolarHBondContact N-O 3Å; H218-Y258 WeakPolarHBondContact O-CD2 3.37Å; Y258-I260 VanDerWaalsContact C-N 3.34Å
259K91.6Very high90.3Very high131 Ų13161.9 Ų61.957%0.5728%0.28SS*.  trans-9715.6178.2-63.2177.1-178.7176.50112.8A90 D254A90-K259 HydrophobicContact CB-CG 3.8Å; D254-K259 VanDerWaalsContact OD1-CE 3.32Å; D254-K259 WeakPolarHBondContact OD1-CE 3.35Å; D254-K259 IonicContact OD1-NZ 3.7Å; D254-K259 PolarHBondContact OD1-NZ 3.29Å
260I90.9Very high89.6Confident111 Ų11166.3 Ų66.357%0.56930%0.296SS*.SBendtrans-78.9143177.7-55.1173.5000108.4S88 Y258S88-I260 WeakPolarHBondContact CA-O 3.4Å; S88-I260 WeakPolarHBondContact CB-O 3.26Å; Y258-I260 VanDerWaalsContact C-N 3.34Å
261H94.4Very high88.6Confident72 Ų7269.3 Ų69.333%0.33331%0.309SS..  trans-65.3143174.8-168.434.4000111.3V86 Y87 P263V86-H261 HydrophobicContact CG1-CB 3.91Å; Y87-H261 PolarHBondContact N-ND1 3.31Å; Y87-H261 WeakPolarHBondContact O-CA 3.33Å; Y87-H261 PolarHBondContact O-ND1 3.24Å; H261-P263 WeakPolarHBondContact O-CD 3.34Å
262L94.4Very high87.9Confident7 Ų764 Ų644%0.03729%0.286CS..  trans-112.170.3176.7-59.5174.9000111.3Y87 E89 I219 E264 T265 V266Y87-L262 PolarHBondContact O-N 3.27Å; E89-L262 HydrophobicContact CG-CD1 4.38Å; I219-L262 HydrophobicContact CD1-CD1 3.76Å; I219-L262 HydrophobicContact CD1-CD2 3.78Å; I219-L262 HydrophobicContact CD1-CG 4.43Å; L262-E264 PolarHBondContact O-N 3.29Å; L262-T265 WeakPolarHBondContact O-CB 3.49Å; L262-T265 PolarHBondContact O-N 2.73Å; L262-V266 PolarHBondContact O-N 3.12Å; L262-V266 VanDerWaalsContact O-N 3.11Å
263P90.6Very high87.3Confident59 Ų5960.4 Ų60.438%0.38327%0.27SS..Hα-helixtrans-65.5-34.7-17525.7-31.7000112.9H261 T265 V266 E267H261-P263 WeakPolarHBondContact O-CD 3.34Å; P263-T265 VanDerWaalsContact C-N 3.25Å; P263-T265 PolarHBondContact O-N 3.48Å; P263-V266 PolarHBondContact O-N 2.9Å; P263-E267 WeakPolarHBondContact O-CB 3.43Å; P263-E267 PolarHBondContact O-N 3.35Å
264E89.2Confident86.3Confident80 Ų8059.3 Ų59.337%0.37428%0.278SS..Hα-helixtrans-62.8-34.6175.3-65.567.4-147.600111.7Q215 L262 Q268Q215-E264 HydrophobicContact CG-CB 4.45Å; L262-E264 PolarHBondContact O-N 3.29Å; E264-Q268 WeakPolarHBondContact O-CG 3.47Å; E264-Q268 PolarHBondContact O-N 3.22Å
265T93.1Very high85.4Confident2 Ų257.3 Ų57.31%0.01226%0.264CS..Hα-helixtrans-71.7-41.6177.1-62.10000110.8Y87 L186 L187 L262 P263 Q268 L269Y87-T265 HydrophobicContact CD1-CG2 4.46Å; Y87-T265 HydrophobicContact CE1-CG2 3.98Å; L186-T265 WeakPolarHBondContact O-CG2 3.37Å; L187-T265 PolarHBondContact O-OG1 3Å; L262-T265 WeakPolarHBondContact O-CB 3.49Å; L262-T265 PolarHBondContact O-N 2.73Å; P263-T265 VanDerWaalsContact C-N 3.25Å; P263-T265 PolarHBondContact O-N 3.48Å; T265-Q268 PolarHBondContact O-N 2.73Å; T265-L269 HydrophobicContact CG2-CD1 4.18Å; T265-L269 WeakPolarHBondContact O-CB 3.42Å; T265-L269 VanDerWaalsContact O-CG 3.26Å; T265-L269 WeakPolarHBondContact O-CG 3.49Å; T265-L269 PolarHBondContact O-N 3.12Å
266V92.6Very high84.8Confident6 Ų650.6 Ų50.64%0.03624%0.238CC..Hα-helixtrans-62.1-42.9173.4172.40000111.1A81 Y87 L262 P263 L269 R270A81-V266 HydrophobicContact CB-CB 4.38Å; A81-V266 HydrophobicContact CB-CG1 3.6Å; A81-V266 HydrophobicContact CB-CG2 3.82Å; Y87-V266 HydrophobicContact CD1-CG2 4.15Å; Y87-V266 HydrophobicContact CG-CG2 4.41Å; L262-V266 PolarHBondContact O-N 3.12Å; L262-V266 VanDerWaalsContact O-N 3.11Å; P263-V266 PolarHBondContact O-N 2.9Å; V266-L269 PolarHBondContact O-N 3.46Å; V266-R270 PolarHBondContact O-N 2.85Å
267E84.3Confident83.6Confident76 Ų7654.2 Ų54.236%0.35526%0.256SS..Hα-helixtrans-61.3-47.1177.1-179.857.3-138.400111.9P263 R270 K271P263-E267 WeakPolarHBondContact O-CB 3.43Å; P263-E267 PolarHBondContact O-N 3.35Å; E267-R270 WeakPolarHBondContact O-CB 3.37Å; E267-R270 PolarHBondContact O-N 3.45Å; E267-R270 IonicContact OE1-NH1 2.67Å; E267-R270 IonicContact OE2-CZ 2.85Å; E267-R270 IonicContact OE2-NH1 2.9Å; E267-R270 PolarHBondContact OE2-NH1 2.91Å; E267-K271 PolarHBondContact O-N 3.45Å; E267-K271 WeakPolarHBondContact OE1-CE 3.48Å; E267-K271 IonicContact OE1-NZ 2.7Å
268Q84.4Confident82Confident6 Ų659.2 Ų59.23%0.02828%0.281CS..Hα-helixtrans-69.4-35.9177.3-68.3-67.81.800112.1S188 G189 E264 T265 R270 K271 F272 D330S188-Q268 WeakPolarHBondContact O-CB 3.3Å; G189-Q268 CarbonylContact O-C 3.25Å; E264-Q268 WeakPolarHBondContact O-CG 3.47Å; E264-Q268 PolarHBondContact O-N 3.22Å; T265-Q268 PolarHBondContact O-N 2.73Å; Q268-R270 VanDerWaalsContact C-N 3.33Å; Q268-R270 PolarHBondContact O-N 2.82Å; Q268-K271 PolarHBondContact O-N 3.46Å; Q268-F272 WeakPolarHBondContact O-CB 3.28Å; Q268-F272 PolarHBondContact O-N 2.97Å; Q268-D330 PolarHBondContact NE2-OD2 3.39Å
269L85.9Confident80.4Confident0 Ų055.6 Ų55.60%027%0.268CS..Hα-helixtrans-60.1-39.5170.3-76.6172.1000112C74 I77 V78 Y87 I185 T265 V266 K271 F272 N273C74-L269 HydrophobicContact CB-CD2 4.21Å; I77-L269 HydrophobicContact CB-CD1 4.29Å; I77-L269 HydrophobicContact CD1-CD1 4.48Å; I77-L269 HydrophobicContact CG2-CD1 3.6Å; V78-L269 HydrophobicContact CG2-CB 3.58Å; Y87-L269 HydrophobicContact CE1-CD1 4.46Å; I185-L269 HydrophobicContact CG2-CD2 3.76Å; T265-L269 HydrophobicContact CG2-CD1 4.18Å; T265-L269 WeakPolarHBondContact O-CB 3.42Å; T265-L269 VanDerWaalsContact O-CG 3.26Å; T265-L269 WeakPolarHBondContact O-CG 3.49Å; T265-L269 PolarHBondContact O-N 3.12Å; V266-L269 PolarHBondContact O-N 3.46Å; L269-K271 VanDerWaalsContact C-N 3.32Å; L269-K271 PolarHBondContact O-N 3.21Å; L269-F272 HydrophobicContact CD2-CD1 4.44Å; L269-F272 PolarHBondContact O-N 3.24Å; L269-N273 WeakPolarHBondContact O-CB 3.44Å; L269-N273 PolarHBondContact O-N 2.99Å; L269-N273 PolarHBondContact O-ND2 3.15Å; L269-N273 VanDerWaalsContact O-ND2 3.12Å
270R82.6Confident78.6Confident94 Ų9451.4 Ų51.436%0.35526%0.261SS..Hα-helixtrans-60-43175.6-164.5-178.8-54.6110.4-4.8111V78 D82 V266 E267 Q268 A274V78-R270 HydrophobicContact CG1-CB 3.87Å; V78-R270 HydrophobicContact CG1-CG 3.86Å; V78-R270 HydrophobicContact CG2-CB 4.33Å; D82-R270 IonicContact OD1-CZ 2.86Å; D82-R270 IonicContact OD1-NE 2.75Å; D82-R270 IonicContact OD1-NH2 3.33Å; D82-R270 PolarHBondContact OD1-NH2 3.3Å; D82-R270 IonicContact OD2-NE 2.81Å; V266-R270 PolarHBondContact O-N 2.85Å; E267-R270 WeakPolarHBondContact O-CB 3.37Å; E267-R270 PolarHBondContact O-N 3.45Å; E267-R270 IonicContact OE1-NH1 2.67Å; E267-R270 IonicContact OE2-CZ 2.85Å; E267-R270 IonicContact OE2-NH1 2.9Å; E267-R270 PolarHBondContact OE2-NH1 2.91Å; Q268-R270 VanDerWaalsContact C-N 3.33Å; Q268-R270 PolarHBondContact O-N 2.82Å; R270-A274 WeakPolarHBondContact O-CB 3.44Å; R270-A274 PolarHBondContact O-N 3.41Å; R270-A274 VanDerWaalsContact O-N 3.09Å
271K76.1Confident76.6Confident64 Ų6448 Ų4828%0.27825%0.25SS..Hα-helixtrans-66.9-46175.6-64.7172.6-172.2173.40112.5E267 Q268 L269 N273 A274 R275E267-K271 PolarHBondContact O-N 3.45Å; E267-K271 WeakPolarHBondContact OE1-CE 3.48Å; E267-K271 IonicContact OE1-NZ 2.7Å; Q268-K271 PolarHBondContact O-N 3.46Å; L269-K271 VanDerWaalsContact C-N 3.32Å; L269-K271 PolarHBondContact O-N 3.21Å; K271-N273 PolarHBondContact O-N 3.45Å; K271-A274 PolarHBondContact O-N 3.48Å; K271-R275 WeakPolarHBondContact O-CG 3.48Å; K271-R275 PolarHBondContact O-N 3.34Å
272F78.8Confident74.3Confident14 Ų1446.8 Ų46.86%0.06125%0.248CC..Hα-helixtrans-57.1-46.5176.7175.7-110.6000111.9P118 I185 L191 Q268 L269 R275 R276P118-F272 HydrophobicContact CG-CE1 4.16Å; P118-F272 HydrophobicContact CG-CZ 4.23Å; I185-F272 HydrophobicContact CD1-CE1 4.47Å; I185-F272 HydrophobicContact CD1-CZ 3.93Å; I185-F272 HydrophobicContact CG1-CZ 4.46Å; I185-F272 HydrophobicContact CG2-CD1 4.15Å; I185-F272 HydrophobicContact CG2-CE1 3.82Å; I185-F272 HydrophobicContact CG2-CZ 4.24Å; L191-F272 HydrophobicContact CD1-CE2 4.36Å; L191-F272 HydrophobicContact CD2-CE2 4.15Å; L191-F272 HydrophobicContact CG-CE2 4.06Å; Q268-F272 WeakPolarHBondContact O-CB 3.28Å; Q268-F272 PolarHBondContact O-N 2.97Å; L269-F272 HydrophobicContact CD2-CD1 4.44Å; L269-F272 PolarHBondContact O-N 3.24Å; F272-R275 PolarHBondContact O-N 3.36Å; F272-R276 VanDerWaalsContact CE1-CD 3.4Å; F272-R276 HydrophobicContact CE1-CG 4.5Å; F272-R276 HydrophobicContact CE2-CG 4.47Å; F272-R276 HydrophobicContact CZ-CG 4.38Å; F272-R276 WeakPolarHBondContact O-CG 3.4Å; F272-R276 PolarHBondContact O-N 2.95Å
273N79.8Confident72.3Confident5 Ų548.7 Ų48.73%0.02726%0.258CS..Hα-helixtrans-64.5-39.5176.6-70.2-25.4000112.7C74 F75 L269 K271 R276 K277C74-N273 VanDerWaalsContact CB-OD1 3.3Å; C74-N273 WeakPolarHBondContact CB-OD1 3.14Å; C74-N273 PolarHBondContact O-ND2 3.23Å; F75-N273 HydrophobicContact CD1-CB 4.04Å; F75-N273 HydrophobicContact CD2-CB 4.29Å; F75-N273 HydrophobicContact CE1-CB 3.71Å; F75-N273 HydrophobicContact CE2-CB 3.99Å; F75-N273 HydrophobicContact CG-CB 4.33Å; F75-N273 HydrophobicContact CZ-CB 3.69Å; F75-N273 WeakPolarHBondContact CZ-O 3.43Å; L269-N273 WeakPolarHBondContact O-CB 3.44Å; L269-N273 PolarHBondContact O-N 2.99Å; L269-N273 PolarHBondContact O-ND2 3.15Å; L269-N273 VanDerWaalsContact O-ND2 3.12Å; K271-N273 PolarHBondContact O-N 3.45Å; N273-R276 PolarHBondContact O-N 3.14Å; N273-R276 PolarHBondContact OD1-NH1 2.98Å; N273-K277 WeakPolarHBondContact O-CB 3.14Å; N273-K277 PolarHBondContact O-N 2.89Å
274A66.7Low70.4Confident61 Ų6148.2 Ų48.250%0.50426%0.259SS..Hα-helixtrans-62.9-45.217500000112R270 K271 K277 L278R270-A274 WeakPolarHBondContact O-CB 3.44Å; R270-A274 PolarHBondContact O-N 3.41Å; R270-A274 VanDerWaalsContact O-N 3.09Å; K271-A274 PolarHBondContact O-N 3.48Å; A274-K277 PolarHBondContact O-N 2.95Å; A274-L278 PolarHBondContact O-N 2.86Å
275R65.4Low68.4Low53 Ų5346.1 Ų46.120%0.226%0.255CS..Hα-helixtrans-60.2-47.1174.8-66.3173.9-160.8148.95111.5K271 F272 K277 L278 K279 H326K271-R275 WeakPolarHBondContact O-CG 3.48Å; K271-R275 PolarHBondContact O-N 3.34Å; F272-R275 PolarHBondContact O-N 3.36Å; R275-K277 VanDerWaalsContact C-N 3.33Å; R275-K277 PolarHBondContact O-N 2.91Å; R275-L278 PolarHBondContact O-N 3.05Å; R275-K279 WeakPolarHBondContact O-CB 3.46Å; R275-K279 PolarHBondContact O-N 3Å; R275-H326 PolarHBondContact NH2-CD2 2.97Å; R275-H326 PolarHBondContact NH2-CE1 3.27Å; R275-H326 VanDerWaalsContact NH2-CE1 3.26Å; R275-H326 PolarHBondContact NH2-ND1 3Å; R275-H326 PolarHBondContact NH2-NE2 3.2Å
276R74.5Confident66.1Low30 Ų3046.9 Ų46.911%0.11326%0.26CS..Hα-helixtrans-56-44.5174.9-75.2172.259.6-152.51.2112.4D72 H119 F272 N273 G280D72-R276 VanDerWaalsContact CG-NH2 3.32Å; D72-R276 IonicContact OD1-CZ 3.83Å; D72-R276 IonicContact OD1-NH1 3.05Å; D72-R276 PolarHBondContact OD1-NH1 3.15Å; D72-R276 IonicContact OD1-NH2 2.88Å; D72-R276 PolarHBondContact OD1-NH2 3.18Å; D72-R276 IonicContact OD2-CZ 2.8Å; D72-R276 IonicContact OD2-NH1 3.16Å; D72-R276 PolarHBondContact OD2-NH1 3.12Å; D72-R276 IonicContact OD2-NH2 2.7Å; D72-R276 PolarHBondContact OD2-NH2 2.98Å; H119-R276 PolarHBondContact CD2-NH2 3.08Å; H119-R276 PolarHBondContact CE1-NE 3.18Å; H119-R276 PolarHBondContact NE2-NE 2.78Å; H119-R276 PolarHBondContact NE2-NH2 3.28Å; F272-R276 VanDerWaalsContact CE1-CD 3.4Å; F272-R276 HydrophobicContact CE1-CG 4.5Å; F272-R276 HydrophobicContact CE2-CG 4.47Å; F272-R276 HydrophobicContact CZ-CG 4.38Å; F272-R276 WeakPolarHBondContact O-CG 3.4Å; F272-R276 PolarHBondContact O-N 2.95Å; N273-R276 PolarHBondContact O-N 3.14Å; N273-R276 PolarHBondContact OD1-NH1 2.98Å; R276-G280 PolarHBondContact O-N 2.67Å
277K63.1Low63.8Low153 Ų15350.7 Ų50.767%0.66529%0.287SS*.Hα-helixtrans-64.6-42.8178.5-171.5177.9179.1-177.40112N273 A274 R275 A281N273-K277 WeakPolarHBondContact O-CB 3.14Å; N273-K277 PolarHBondContact O-N 2.89Å; A274-K277 PolarHBondContact O-N 2.95Å; R275-K277 VanDerWaalsContact C-N 3.33Å; R275-K277 PolarHBondContact O-N 2.91Å; K277-A281 WeakPolarHBondContact O-CB 3.26Å; K277-A281 PolarHBondContact O-N 3.46Å
278L52.6Low61.9Low109 Ų10948.3 Ų48.357%0.57128%0.278SS*.Hα-helixtrans-62.6-50.4175.5179.461.3000111.5A274 R275 G280 A281 V282A274-L278 PolarHBondContact O-N 2.86Å; R275-L278 PolarHBondContact O-N 3.05Å; L278-G280 VanDerWaalsContact C-N 3.31Å; L278-G280 PolarHBondContact O-N 3.47Å; L278-A281 WeakPolarHBondContact O-CB 3.49Å; L278-A281 PolarHBondContact O-N 2.87Å; L278-V282 HydrophobicContact CD1-CG2 4.25Å; L278-V282 WeakPolarHBondContact O-CG2 3.32Å; L278-V282 PolarHBondContact O-N 2.93Å
279K58.2Low59.9Low35 Ų3554.7 Ų54.715%0.15231%0.308CS..Hα-helixtrans-57.1-43.5179.3-167.5169.2-165.8168.50112R275 L283 L319 D320 E323R275-K279 WeakPolarHBondContact O-CB 3.46Å; R275-K279 PolarHBondContact O-N 3Å; K279-L283 HydrophobicContact CG-CD1 4.34Å; K279-L283 WeakPolarHBondContact O-CB 3.33Å; K279-L283 WeakPolarHBondContact O-CG 3.24Å; K279-L283 PolarHBondContact O-N 3.38Å; K279-L319 HydrophobicContact CD-CB 4.48Å; K279-L319 HydrophobicContact CG-CB 4.19Å; K279-L319 HydrophobicContact CG-CD1 4.15Å; K279-D320 IonicContact NZ-OD1 2.79Å; K279-D320 PolarHBondContact NZ-OD1 3.45Å; K279-E323 IonicContact NZ-OE1 2.92Å; K279-E323 PolarHBondContact NZ-OE1 3.31Å
280G53.1Low57.6Low42 Ų4260.8 Ų60.843%0.43333%0.334SS..Hα-helixtrans-63.8-3917400000113.7R276 L278 A284R276-G280 PolarHBondContact O-N 2.67Å; L278-G280 VanDerWaalsContact C-N 3.31Å; L278-G280 PolarHBondContact O-N 3.47Å; G280-A284 VanDerWaalsContact O-CB 3.27Å; G280-A284 WeakPolarHBondContact O-CB 3.28Å; G280-A284 PolarHBondContact O-N 2.87Å
281A48.6Very low55.5Low41 Ų4160.6 Ų60.634%0.33934%0.336SS..Hα-helixtrans-67.7-41.8177.300000112.6K277 L278 A284 A285K277-A281 WeakPolarHBondContact O-CB 3.26Å; K277-A281 PolarHBondContact O-N 3.46Å; L278-A281 WeakPolarHBondContact O-CB 3.49Å; L278-A281 PolarHBondContact O-N 2.87Å; A281-A284 PolarHBondContact O-N 3.36Å; A281-A285 PolarHBondContact O-N 2.86Å
282V46.9Very low53.6Low46 Ų4663.7 Ų63.728%0.27936%0.356SS..Hα-helixtrans-67-45.6177.2179.40000111.1L278 A284 A285 V286 V315 L319L278-V282 HydrophobicContact CD1-CG2 4.25Å; L278-V282 WeakPolarHBondContact O-CG2 3.32Å; L278-V282 PolarHBondContact O-N 2.93Å; V282-A284 VanDerWaalsContact C-N 3.26Å; V282-A284 PolarHBondContact O-N 2.99Å; V282-A285 WeakPolarHBondContact O-CB 3.4Å; V282-A285 PolarHBondContact O-N 3.32Å; V282-V286 HydrophobicContact CG1-CG2 4.48Å; V282-V286 WeakPolarHBondContact O-CG2 3.31Å; V282-V286 PolarHBondContact O-N 3.38Å; V282-V315 HydrophobicContact CG1-CG1 3.96Å; V282-L319 HydrophobicContact CB-CD1 3.97Å; V282-L319 HydrophobicContact CB-CD2 4.28Å; V282-L319 HydrophobicContact CG1-CD1 3.84Å; V282-L319 HydrophobicContact CG1-CD2 4.25Å; V282-L319 HydrophobicContact CG1-CG 4.48Å; V282-L319 HydrophobicContact CG2-CD2 4.35Å
283L53.1Low51.6Low47 Ų4767.6 Ų67.625%0.24639%0.385CS..Hα-helixtrans-63.3-32.7176.4-69.8172.9000112.3K279 S287 L319K279-L283 HydrophobicContact CG-CD1 4.34Å; K279-L283 WeakPolarHBondContact O-CB 3.33Å; K279-L283 WeakPolarHBondContact O-CG 3.24Å; K279-L283 PolarHBondContact O-N 3.38Å; L283-S287 VanDerWaalsContact O-CB 3.22Å; L283-S287 WeakPolarHBondContact O-CB 3.44Å; L283-S287 PolarHBondContact O-N 3.1Å; L283-S287 PolarHBondContact O-OG 3.45Å; L283-L319 HydrophobicContact CD2-CD1 4.11Å; L283-L319 HydrophobicContact CG-CD1 4.01Å
284A50.5Low49.4Very low49 Ų4974.9 Ų74.941%0.40542%0.417SS..Hα-helixtrans-70.9-28.2173.300000113.5G280 A281 V282G280-A284 VanDerWaalsContact O-CB 3.27Å; G280-A284 WeakPolarHBondContact O-CB 3.28Å; G280-A284 PolarHBondContact O-N 2.87Å; A281-A284 PolarHBondContact O-N 3.36Å; V282-A284 VanDerWaalsContact C-N 3.26Å; V282-A284 PolarHBondContact O-N 2.99Å
285A45.9Very low47.9Very low36 Ų3679.5 Ų79.530%0.29842%0.422SS..Hα-helixtrans-70.7-50.2171.500000111.2A281 V282 S287 S288 V427A281-A285 PolarHBondContact O-N 2.86Å; V282-A285 WeakPolarHBondContact O-CB 3.4Å; V282-A285 PolarHBondContact O-N 3.32Å; A285-S287 VanDerWaalsContact C-N 3.33Å; A285-S287 PolarHBondContact O-N 2.93Å; A285-S288 WeakPolarHBondContact O-CB 3.4Å; A285-S288 PolarHBondContact O-N 3.3Å; A285-S288 VanDerWaalsContact O-N 3.09Å; A285-V427 HydrophobicContact CB-CG1 4.01Å
286V45.6Very low46.5Very low18 Ų1880.4 Ų80.411%0.10945%0.447CS..Hα-helixtrans-65.4-34.7-180178.50000112.1V282 S288 F291 V315V282-V286 HydrophobicContact CG1-CG2 4.48Å; V282-V286 WeakPolarHBondContact O-CG2 3.31Å; V282-V286 PolarHBondContact O-N 3.38Å; V286-S288 PolarHBondContact O-N 3.47Å; V286-F291 HydrophobicContact CG1-CD1 4.36Å; V286-F291 HydrophobicContact CG1-CE1 4.13Å; V286-F291 HydrophobicContact CG1-CZ 4.25Å; V286-V315 HydrophobicContact CG1-CG2 4.25Å; V286-V315 HydrophobicContact CG2-CB 4.16Å; V286-V315 HydrophobicContact CG2-CG1 3.99Å; V286-V315 HydrophobicContact CG2-CG2 4Å
287S44.1Very low44.6Very low86 Ų8686.6 Ų86.660%0.60148%0.483SS*.THydrogen-bonded Turntrans-78.96.1176-500000113.7L283 A285L283-S287 VanDerWaalsContact O-CB 3.22Å; L283-S287 WeakPolarHBondContact O-CB 3.44Å; L283-S287 PolarHBondContact O-N 3.1Å; L283-S287 PolarHBondContact O-OG 3.45Å; A285-S287 VanDerWaalsContact C-N 3.33Å; A285-S287 PolarHBondContact O-N 2.93Å
288S44.8Very low43.3Very low25 Ų2584.2 Ų84.218%0.17548%0.483CS..SBendtrans-77.1137.1177.3-176.40000110.8A285 V286 K290 F291A285-S288 WeakPolarHBondContact O-CB 3.4Å; A285-S288 PolarHBondContact O-N 3.3Å; A285-S288 VanDerWaalsContact O-N 3.09Å; V286-S288 PolarHBondContact O-N 3.47Å; S288-K290 PolarHBondContact O-N 3.13Å; S288-K290 PolarHBondContact OG-N 3.02Å; S288-F291 VanDerWaalsContact O-CB 3.29Å; S288-F291 WeakPolarHBondContact O-CB 3.42Å; S288-F291 PolarHBondContact O-N 2.82Å
289H41.4Very low42.5Very low141 Ų14184.2 Ų84.265%0.65349%0.49SS*.THydrogen-bonded Turntrans-58.8-14.8170.7-75.5-67000113.6K21 F291K21-H289 PolarHBondContact NZ-NE2 2.96Å; H289-F291 VanDerWaalsContact C-N 3.34Å
290K38.6Very low41.5Very low127 Ų12792.2 Ų92.255%0.55253%0.528SS*.THydrogen-bonded Turntrans-67.2-31.8170.1-65-170.2174.3-168.20113.1S288 S293S288-K290 PolarHBondContact O-N 3.13Å; S288-K290 PolarHBondContact OG-N 3.02Å; K290-S293 WeakPolarHBondContact O-CB 3.27Å; K290-S293 PolarHBondContact O-N 3.39Å
291F37.8Very low40.6Very low91 Ų9199 Ų9940%0.39955%0.548SS..G310 helixtrans-62.3-49-175.3-171.4-104.5000111.4V286 S288 H289 S293V286-F291 HydrophobicContact CG1-CD1 4.36Å; V286-F291 HydrophobicContact CG1-CE1 4.13Å; V286-F291 HydrophobicContact CG1-CZ 4.25Å; S288-F291 VanDerWaalsContact O-CB 3.29Å; S288-F291 WeakPolarHBondContact O-CB 3.42Å; S288-F291 PolarHBondContact O-N 2.82Å; H289-F291 VanDerWaalsContact C-N 3.34Å; F291-S293 PolarHBondContact O-N 2.69Å
292N36.7Very low39.9Very low128 Ų128103.9 Ų103.968%0.68457%0.568SS**G310 helixtrans-71.9-11.8173.8-6535.9000113.5
293S36.1Very low39.3Very low97 Ų97106.6 Ų106.668%0.67859%0.586SS**G310 helixtrans-86.2-7.9-176.7-170.40000113.8K290 F291K290-S293 WeakPolarHBondContact O-CB 3.27Å; K290-S293 PolarHBondContact O-N 3.39Å; F291-S293 PolarHBondContact O-N 2.69Å
294F34.1Very low38.4Very low158 Ų158112.3 Ų112.369%0.69362%0.617SS**SBendtrans-94-13.2178.9-92-82.6000114.1
295Y34.8Very low37.3Very low158 Ų158119.2 Ų119.262%0.6264%0.638SS**SBendtrans-131.6103.3177.6-60.1-78.3000108.3
296G36Very low36.6Very low71 Ų71122.7 Ų122.773%0.73266%0.661SS**PPolyproline II helixtrans-67.9172.3173.100000112.3
297D34.3Very low36.1Very low160 Ų160131.2 Ų131.286%0.85670%0.699SS**PPolyproline II helixtrans-58149.2-174.8-63.6-59.8000113.2
298P35.9Very low35.6Very low103 Ų103133.4 Ų133.467%0.66970%0.704SS**PPolyproline II helixtrans-64.6150.9-179.9-19.232.3000112.6
299P35.6Very low35.3Very low110 Ų110137.3 Ų137.371%0.71473%0.729SS**PPolyproline II helixtrans-61.2142.1169.7-20.933000112.2E301P299-E301 PolarHBondContact O-N 3.1Å
300E37.9Very low35.6Very low203 Ų203136.6 Ų136.695%0.94974%0.735SS**SBendtrans-67.29.6-172.8-62.4-177.3116.600116.1
301E34.7Very low35.9Very low185 Ų185133.1 Ų133.186%0.86473%0.727SS**  trans-114.746.8-173.8-64.5-164.7158.500113.9P299P299-E301 PolarHBondContact O-N 3.1Å
302L32.2Very low36.2Very low142 Ų142130.9 Ų130.974%0.74372%0.722SS**SBendtrans-121.6135.2167.1-73.7175.1000111.3
303P34.7Very low36.5Very low104 Ų104126.4 Ų126.468%0.67571%0.706SS**  trans-62.7139.9177.3-21.332.9000112.1F305P303-F305 WeakPolarHBondContact O-CD2 3.39Å; P303-F305 PolarHBondContact O-N 3.01Å
304D35.4Very low36.9Very low166 Ų166124 Ų12489%0.88869%0.692SS**  trans-42.896.4-177.7-166.76.6000114
305F27.4Very low37.5Very low194 Ų194118.6 Ų118.685%0.85167%0.672SS**  trans-117.1120.3168.3-89.9-80000107.9P303P303-F305 WeakPolarHBondContact O-CD2 3.39Å; P303-F305 PolarHBondContact O-N 3.01Å
306S31.3Very low38.3Very low110 Ų110112.8 Ų112.877%0.76965%0.654SS**  trans-46.1134.6-168.157.40000115.5D308S306-D308 PolarHBondContact O-N 2.98Å
307E34.2Very low39.1Very low196 Ų196113.3 Ų113.392%0.91664%0.638SS**  trans-51.4117.6176.5-55.5176.312300113.7
308D34.1Very low39.9Very low132 Ų132110 Ų11071%0.70662%0.623SS**  trans-15386148.2-164.73.5000109.1S306S306-D308 PolarHBondContact O-N 2.98Å
309P38.1Very low40.8Very low107 Ų107106 Ų10670%0.69560%0.596SS**  trans-66.8140.4-17727.7-34.2000111.2S311P309-S311 WeakPolarHBondContact O-CA 3.39Å; P309-S311 WeakPolarHBondContact O-CB 3.36Å; P309-S311 PolarHBondContact O-N 2.88Å
310T47.7Very low41.8Very low126 Ų126101.6 Ų101.677%0.77357%0.567SS**SBendtrans-41.884.3-166.7-42.50000115.1
311S45.7Very low42.5Very low55 Ų5592.7 Ų92.739%0.38553%0.527SS..  trans-84160.2-161.373.10000113.7P309 G313 A314P309-S311 WeakPolarHBondContact O-CA 3.39Å; P309-S311 WeakPolarHBondContact O-CB 3.36Å; P309-S311 PolarHBondContact O-N 2.88Å; S311-G313 PolarHBondContact O-N 3.17Å; S311-A314 WeakPolarHBondContact O-CB 3.47Å; S311-A314 PolarHBondContact O-N 2.73Å
312S43.2Very low43.4Very low44 Ų4488.6 Ų88.631%0.30851%0.51SS..Hα-helixtrans-54-20.8172.8-173.50000113.3A314 V315 S316S312-A314 VanDerWaalsContact C-N 3.31Å; S312-A314 PolarHBondContact O-N 2.86Å; S312-V315 PolarHBondContact O-N 2.91Å; S312-S316 PolarHBondContact O-N 3.08Å
313G42.9Very low44.4Very low34 Ų3482.9 Ų82.935%0.35148%0.479SS..Hα-helixtrans-63.1-30.3172.100000114.3S311 Q317S311-G313 PolarHBondContact O-N 3.17Å; G313-Q317 WeakPolarHBondContact O-CG 3.36Å; G313-Q317 PolarHBondContact O-N 3.08Å; G313-Q317 PolarHBondContact O-NE2 3.27Å
314A45.2Very low45.3Very low45 Ų4579.2 Ų79.237%0.37245%0.454SS..Hα-helixtrans-70.9-47.1176.500000111.4S311 S312 S316 Q317 V318S311-A314 WeakPolarHBondContact O-CB 3.47Å; S311-A314 PolarHBondContact O-N 2.73Å; S312-A314 VanDerWaalsContact C-N 3.31Å; S312-A314 PolarHBondContact O-N 2.86Å; A314-S316 VanDerWaalsContact C-N 3.32Å; A314-S316 PolarHBondContact O-N 3.26Å; A314-Q317 WeakPolarHBondContact O-CB 3.09Å; A314-Q317 PolarHBondContact O-N 2.98Å; A314-Q317 VanDerWaalsContact O-N 3.17Å; A314-V318 PolarHBondContact O-N 2.94Å
315V46.9Very low46Very low45 Ų4572.8 Ų72.827%0.27342%0.419SS..Hα-helixtrans-67.2-34.5177.7-1730000111.3V282 V286 S312 Q317 V318 L319V282-V315 HydrophobicContact CG1-CG1 3.96Å; V286-V315 HydrophobicContact CG1-CG2 4.25Å; V286-V315 HydrophobicContact CG2-CB 4.16Å; V286-V315 HydrophobicContact CG2-CG1 3.99Å; V286-V315 HydrophobicContact CG2-CG2 4Å; S312-V315 PolarHBondContact O-N 2.91Å; V315-Q317 VanDerWaalsContact C-N 3.32Å; V315-Q317 PolarHBondContact O-N 2.82Å; V315-V318 PolarHBondContact O-N 3.26Å; V315-L319 HydrophobicContact CG1-CD1 4.19Å; V315-L319 HydrophobicContact CG1-CG 4.45Å; V315-L319 WeakPolarHBondContact O-CG 3.49Å; V315-L319 PolarHBondContact O-N 3.1Å
316S50.8Low47.1Very low36 Ų3666.5 Ų66.525%0.25239%0.392SS..Hα-helixtrans-57.8-43.7171.6-170.10000112.1S312 A314 V318 L319 D320S312-S316 PolarHBondContact O-N 3.08Å; A314-S316 VanDerWaalsContact C-N 3.32Å; A314-S316 PolarHBondContact O-N 3.26Å; S316-V318 PolarHBondContact O-N 3.36Å; S316-L319 PolarHBondContact O-N 3.03Å; S316-D320 VanDerWaalsContact O-CG 3.31Å; S316-D320 PolarHBondContact O-N 2.65Å; S316-D320 VanDerWaalsContact O-OD2 3.12Å
317Q52.3Low47.9Very low83 Ų8362.7 Ų62.739%0.38837%0.367SS..Hα-helixtrans-62.8-40.1178.9-74.5166.276.200112.1K197 G313 A314 V315 D320 S321K197-Q317 HydrophobicContact CD-CG 4.4Å; G313-Q317 WeakPolarHBondContact O-CG 3.36Å; G313-Q317 PolarHBondContact O-N 3.08Å; G313-Q317 PolarHBondContact O-NE2 3.27Å; A314-Q317 WeakPolarHBondContact O-CB 3.09Å; A314-Q317 PolarHBondContact O-N 2.98Å; A314-Q317 VanDerWaalsContact O-N 3.17Å; V315-Q317 VanDerWaalsContact C-N 3.32Å; V315-Q317 PolarHBondContact O-N 2.82Å; Q317-D320 PolarHBondContact O-N 2.76Å; Q317-S321 PolarHBondContact O-N 2.87Å; Q317-S321 PolarHBondContact O-OG 3.45Å; Q317-S321 VanDerWaalsContact O-OG 3.09Å
318V51Low48.2Very low90 Ų9055.1 Ų55.155%0.54533%0.332SS..Hα-helixtrans-65-39.4174.8179.30000111.6A314 V315 S316 D320 S321 L322A314-V318 PolarHBondContact O-N 2.94Å; V315-V318 PolarHBondContact O-N 3.26Å; S316-V318 PolarHBondContact O-N 3.36Å; V318-D320 VanDerWaalsContact C-N 3.33Å; V318-S321 WeakPolarHBondContact O-CB 3.34Å; V318-S321 PolarHBondContact O-N 3.23Å; V318-L322 PolarHBondContact O-N 2.94Å
319L55.8Low48.7Very low19 Ų1953.3 Ų53.310%0.09933%0.326CS..Hα-helixtrans-67.9-31.2175.3-67.8167.5000112.6K279 V282 L283 V315 S316 L322K279-L319 HydrophobicContact CD-CB 4.48Å; K279-L319 HydrophobicContact CG-CB 4.19Å; K279-L319 HydrophobicContact CG-CD1 4.15Å; V282-L319 HydrophobicContact CB-CD1 3.97Å; V282-L319 HydrophobicContact CB-CD2 4.28Å; V282-L319 HydrophobicContact CG1-CD1 3.84Å; V282-L319 HydrophobicContact CG1-CD2 4.25Å; V282-L319 HydrophobicContact CG1-CG 4.48Å; V282-L319 HydrophobicContact CG2-CD2 4.35Å; L283-L319 HydrophobicContact CD2-CD1 4.11Å; L283-L319 HydrophobicContact CG-CD1 4.01Å; V315-L319 HydrophobicContact CG1-CD1 4.19Å; V315-L319 HydrophobicContact CG1-CG 4.45Å; V315-L319 WeakPolarHBondContact O-CG 3.49Å; V315-L319 PolarHBondContact O-N 3.1Å; S316-L319 PolarHBondContact O-N 3.03Å; L319-L322 HydrophobicContact CD2-CD1 4.36Å
320D56.3Low48.9Very low18 Ų1850.1 Ų50.110%0.09630%0.303CS..Hα-helixtrans-67.1-39.5170.5-67.2-43.2000111.3H158 K279 S316 Q317 V318 L322 E323H158-D320 IonicContact CE1-OD1 3.41Å; K279-D320 IonicContact NZ-OD1 2.79Å; K279-D320 PolarHBondContact NZ-OD1 3.45Å; S316-D320 VanDerWaalsContact O-CG 3.31Å; S316-D320 PolarHBondContact O-N 2.65Å; S316-D320 VanDerWaalsContact O-OD2 3.12Å; Q317-D320 PolarHBondContact O-N 2.76Å; V318-D320 VanDerWaalsContact C-N 3.33Å; D320-L322 VanDerWaalsContact C-N 3.29Å; D320-L322 PolarHBondContact O-N 3.24Å; D320-E323 PolarHBondContact O-N 3.24Å
321S52.5Low48.6Very low16 Ų1646.1 Ų46.111%0.11228%0.28CS..Hα-helixtrans-58.7-35.8175.5-52.40000113.7T196 Q317 V318 E323 E324 I325T196-S321 WeakPolarHBondContact CG2-OG 3.49Å; Q317-S321 PolarHBondContact O-N 2.87Å; Q317-S321 PolarHBondContact O-OG 3.45Å; Q317-S321 VanDerWaalsContact O-OG 3.09Å; V318-S321 WeakPolarHBondContact O-CB 3.34Å; V318-S321 PolarHBondContact O-N 3.23Å; S321-E323 PolarHBondContact O-N 3.26Å; S321-E324 WeakPolarHBondContact O-CB 3.14Å; S321-E324 PolarHBondContact O-N 3.21Å; S321-E324 VanDerWaalsContact O-N 3.1Å; S321-I325 PolarHBondContact O-N 3.05Å
322L53.9Low48.5Very low98 Ų9846.7 Ų46.751%0.51328%0.284SS..Hα-helixtrans-67.2-23.8-179.4-66.7177000113V318 L319 D320 E324 I325V318-L322 PolarHBondContact O-N 2.94Å; L319-L322 HydrophobicContact CD2-CD1 4.36Å; D320-L322 VanDerWaalsContact C-N 3.29Å; D320-L322 PolarHBondContact O-N 3.24Å; L322-E324 VanDerWaalsContact C-N 3.32Å; L322-I325 HydrophobicContact CD2-CD1 4.44Å
323E53.8Low48.6Very low22 Ų2253.1 Ų53.110%0.10331%0.309CS..Hα-helixtrans-75-24.7174.5-61.4-171.7-138.600111.8Y194 K279 D320 S321Y194-E323 HydrophobicContact CD1-CB 4.46Å; K279-E323 IonicContact NZ-OE1 2.92Å; K279-E323 PolarHBondContact NZ-OE1 3.31Å; D320-E323 PolarHBondContact O-N 3.24Å; S321-E323 PolarHBondContact O-N 3.26Å
324E53Low48.6Very low28 Ų2860.8 Ų60.813%0.13133%0.333CS..Hα-helixtrans-77.5-42.2176.4-164.9171.3-179.300112.3G195 T196 R199 S321 L322 H326 A327 L328G195-E324 WeakPolarHBondContact CA-OE2 3.33Å; T196-E324 PolarHBondContact N-OE2 3.02Å; R199-E324 VanDerWaalsContact CD-OE1 3.27Å; R199-E324 WeakPolarHBondContact CD-OE1 3.27Å; R199-E324 IonicContact CZ-OE1 2.79Å; R199-E324 IonicContact NE-OE1 3.1Å; R199-E324 IonicContact NH1-OE1 3.82Å; R199-E324 PolarHBondContact NH1-OE1 3.5Å; R199-E324 IonicContact NH1-OE2 3.3Å; R199-E324 PolarHBondContact NH1-OE2 2.8Å; S321-E324 WeakPolarHBondContact O-CB 3.14Å; S321-E324 PolarHBondContact O-N 3.21Å; S321-E324 VanDerWaalsContact O-N 3.1Å; L322-E324 VanDerWaalsContact C-N 3.32Å; E324-H326 PolarHBondContact O-N 3.48Å; E324-A327 WeakPolarHBondContact O-CB 3.42Å; E324-A327 PolarHBondContact O-N 2.9Å; E324-L328 PolarHBondContact O-N 3.01Å
325I50.5Low48.6Very low30 Ų3060.9 Ų60.915%0.15433%0.327CS..Hα-helixtrans-59.4-35.3179.6-64174.8000111.7S321 L322 L328S321-I325 PolarHBondContact O-N 3.05Å; L322-I325 HydrophobicContact CD2-CD1 4.44Å; I325-L328 PolarHBondContact O-N 3.35Å
326H49.7Very low48.2Very low63 Ų6364 Ų6429%0.29234%0.342SS..Hα-helixtrans-77.8-19.8175.5-162.4-44.1000113.2R275 E324 L328 T329 D330R275-H326 PolarHBondContact NH2-CD2 2.97Å; R275-H326 PolarHBondContact NH2-CE1 3.27Å; R275-H326 VanDerWaalsContact NH2-CE1 3.26Å; R275-H326 PolarHBondContact NH2-ND1 3Å; R275-H326 PolarHBondContact NH2-NE2 3.2Å; E324-H326 PolarHBondContact O-N 3.48Å; H326-L328 PolarHBondContact O-N 2.89Å; H326-T329 PolarHBondContact O-N 3.34Å; H326-T329 PolarHBondContact O-OG1 3.36Å; H326-T329 VanDerWaalsContact O-OG1 3.14Å; H326-D330 IonicContact CE1-OD2 2.69Å
327A47.7Very low47.9Very low29 Ų2969.3 Ų69.324%0.2437%0.367CS..Hα-helixtrans-68.2-26.6172.100000111.7Y194 E324Y194-A327 HydrophobicContact CG-CB 4.38Å; E324-A327 WeakPolarHBondContact O-CB 3.42Å; E324-A327 PolarHBondContact O-N 2.9Å
328L41.5Very low47.5Very low37 Ų3769.3 Ų69.319%0.19437%0.366CS..Hα-helixtrans-73.8-33.1177.4-56.3172.6000112.6E324 I325 H326 C331 F338 V342 L348E324-L328 PolarHBondContact O-N 3.01Å; I325-L328 PolarHBondContact O-N 3.35Å; H326-L328 PolarHBondContact O-N 2.89Å; L328-C331 WeakPolarHBondContact O-CB 3.08Å; L328-C331 PolarHBondContact O-N 3.29Å; L328-F338 HydrophobicContact CD2-CE1 4.41Å; L328-V342 HydrophobicContact CD2-CG1 3.88Å; L328-V342 HydrophobicContact CD2-CG2 3.85Å; L328-L348 HydrophobicContact CD1-CD1 3.88Å; L328-L348 HydrophobicContact CD1-CD2 3.83Å; L328-L348 HydrophobicContact CD1-CG 4.35Å
329T43.8Very low47Very low94 Ų9466.4 Ų66.458%0.57735%0.348SS*.Hα-helixtrans-82.3-8.9-177.354.70000115H326H326-T329 PolarHBondContact O-N 3.34Å; H326-T329 PolarHBondContact O-OG1 3.36Å; H326-T329 VanDerWaalsContact O-OG1 3.14Å
330D42.6Very low46.4Very low40 Ų4070.8 Ų70.821%0.21437%0.367CS..THydrogen-bonded Turntrans-108.513.5172.3-106.7-53.5000111.9N212 R214 Q268 H326N212-D330 PolarHBondContact ND2-O 3.34Å; R214-D330 IonicContact CZ-OD1 2.6Å; R214-D330 IonicContact NH1-OD1 2.79Å; R214-D330 PolarHBondContact NH1-OD1 2.94Å; Q268-D330 PolarHBondContact NE2-OD2 3.39Å; H326-D330 IonicContact CE1-OD2 2.69Å
331C40.7Very low45.8Very low42 Ų4273.7 Ų73.728%0.28439%0.389SS..  trans-87.1158.2-178.2-1400000113L328L328-C331 WeakPolarHBondContact O-CB 3.08Å; L328-C331 PolarHBondContact O-N 3.29Å
332S45.3Very low45.3Very low67 Ų6773.5 Ų73.547%0.46939%0.387SS..  trans-114.1149.8-177.180.60000112.9K334 D335S332-K334 PolarHBondContact O-N 3.16Å; S332-D335 PolarHBondContact O-N 2.84Å
333E44.7Very low44.8Very low179 Ų17974.4 Ų74.484%0.83639%0.387SS*.THydrogen-bonded Turntrans-54-19.1-176-59.9178.6136.900115.3D335E333-D335 VanDerWaalsContact C-N 3.33Å
334K42Very low44.3Very low195 Ų19580.2 Ų80.285%0.84841%0.414SS*.THydrogen-bonded Turntrans-80.7-10.7-178.7-64.2-174.9178.9-178.90114S332 L336S332-K334 PolarHBondContact O-N 3.16Å; K334-L336 PolarHBondContact O-N 2.96Å
335D44.8Very low44Very low48 Ų4880.9 Ų80.926%0.25742%0.419SS..  trans-8238.7-178-93-48.2000113.4K210 S332 E333 D337 F338 L339K210-D335 WeakPolarHBondContact CE-OD1 3.34Å; K210-D335 IonicContact NZ-OD1 2.69Å; K210-D335 PolarHBondContact NZ-OD1 3.2Å; K210-D335 IonicContact NZ-OD2 3.17Å; K210-D335 PolarHBondContact NZ-OD2 2.87Å; S332-D335 PolarHBondContact O-N 2.84Å; E333-D335 VanDerWaalsContact C-N 3.33Å; D335-D337 VanDerWaalsContact C-N 3.33Å; D335-D337 PolarHBondContact O-N 3.41Å; D335-D337 VanDerWaalsContact O-N 3.16Å; D335-F338 HydrophobicContact CB-CB 4.39Å; D335-F338 HydrophobicContact CB-CD1 4.46Å; D335-F338 PolarHBondContact O-N 3.29Å; D335-L339 HydrophobicContact CB-CD1 4.48Å; D335-L339 HydrophobicContact CB-CG 4.45Å; D335-L339 WeakPolarHBondContact O-CB 3.13Å; D335-L339 WeakPolarHBondContact O-CG 3.34Å; D335-L339 PolarHBondContact O-N 3.5Å
336L40.3Very low43.8Very low111 Ų11187.3 Ų87.358%0.58145%0.448SS*.Hα-helixtrans-56.8-35.2-166.8-75.5173.7000115.1K334 H340K334-L336 PolarHBondContact O-N 2.96Å; L336-H340 WeakPolarHBondContact O-CB 3.23Å; L336-H340 PolarHBondContact O-N 3.12Å
337D43.6Very low43.5Very low146 Ų14689.6 Ų89.678%0.78146%0.459SS*.Hα-helixtrans-74-36.7177.8-63.3-32.3000112.4D335 H340 S341D335-D337 VanDerWaalsContact C-N 3.33Å; D335-D337 PolarHBondContact O-N 3.41Å; D335-D337 VanDerWaalsContact O-N 3.16Å; D337-H340 PolarHBondContact O-N 2.93Å; D337-S341 PolarHBondContact O-N 3.38Å
338F43.7Very low43.3Very low84 Ų8488.4 Ų88.437%0.36845%0.448SS..Hα-helixtrans-68.8-44.5173.8170.3-103.7000110.2L328 D335 H340 S341 V342L328-F338 HydrophobicContact CD2-CE1 4.41Å; D335-F338 HydrophobicContact CB-CB 4.39Å; D335-F338 HydrophobicContact CB-CD1 4.46Å; D335-F338 PolarHBondContact O-N 3.29Å; F338-H340 VanDerWaalsContact C-N 3.32Å; F338-H340 PolarHBondContact O-N 2.9Å; F338-S341 PolarHBondContact O-N 3.33Å; F338-V342 HydrophobicContact CE1-CG2 4.19Å; F338-V342 HydrophobicContact CE2-CG2 4.22Å; F338-V342 HydrophobicContact CZ-CG2 3.99Å; F338-V342 WeakPolarHBondContact O-CB 3.38Å; F338-V342 WeakPolarHBondContact O-CG2 3.36Å; F338-V342 PolarHBondContact O-N 3.42Å
339L41.3Very low43.5Very low29 Ų2990.5 Ų90.515%0.15246%0.457CS..Hα-helixtrans-62-37.1172.9-69.3170.7000111.5D335 V342 F343D335-L339 HydrophobicContact CB-CD1 4.48Å; D335-L339 HydrophobicContact CB-CG 4.45Å; D335-L339 WeakPolarHBondContact O-CB 3.13Å; D335-L339 WeakPolarHBondContact O-CG 3.34Å; D335-L339 PolarHBondContact O-N 3.5Å; L339-V342 CarbonylContact O-C 3.56Å; L339-V342 WeakPolarHBondContact O-CB 3.46Å; L339-V342 PolarHBondContact O-N 2.88Å; L339-F343 HydrophobicContact CB-CD2 4.17Å; L339-F343 HydrophobicContact CB-CE2 3.88Å; L339-F343 HydrophobicContact CD2-CE2 4.34Å; L339-F343 HydrophobicContact CD2-CZ 4.25Å; L339-F343 VanDerWaalsContact O-CB 3.26Å; L339-F343 WeakPolarHBondContact O-CB 3.42Å; L339-F343 WeakPolarHBondContact O-CD2 3.47Å; L339-F343 WeakPolarHBondContact O-CG 3.41Å; L339-F343 PolarHBondContact O-N 2.6Å
340H43.2Very low43.8Very low110 Ų11090.4 Ų90.451%0.50946%0.456SS..Hα-helixtrans-65.7-43.2173.2-113.7106.1000112.5L336 D337 F338 V342 F343 Q344L336-H340 WeakPolarHBondContact O-CB 3.23Å; L336-H340 PolarHBondContact O-N 3.12Å; D337-H340 PolarHBondContact O-N 2.93Å; F338-H340 VanDerWaalsContact C-N 3.32Å; F338-H340 PolarHBondContact O-N 2.9Å; H340-V342 VanDerWaalsContact C-N 3.26Å; H340-V342 PolarHBondContact O-N 2.8Å; H340-F343 CarbonylContact O-C 3.41Å; H340-F343 PolarHBondContact O-N 2.92Å; H340-Q344 WeakPolarHBondContact O-CB 3.5Å; H340-Q344 VanDerWaalsContact O-CG 3.3Å; H340-Q344 WeakPolarHBondContact O-CG 3.5Å; H340-Q344 PolarHBondContact O-N 3.26Å
341S44.2Very low43.8Very low80 Ų8090.5 Ų90.556%0.55946%0.457SS*.Hα-helixtrans-61.1-38.2174.4-173.30000111.6D337 F338 Q344 D345D337-S341 PolarHBondContact O-N 3.38Å; F338-S341 PolarHBondContact O-N 3.33Å; S341-Q344 PolarHBondContact O-N 3.06Å; S341-D345 PolarHBondContact O-N 2.98Å
342V41Very low43.8Very low12 Ų1290.8 Ų90.87%0.07346%0.455CS..Hα-helixtrans-67.7-44.5174.7149.60000111.6L328 F338 L339 H340 Q344 D345 L348L328-V342 HydrophobicContact CD2-CG1 3.88Å; L328-V342 HydrophobicContact CD2-CG2 3.85Å; F338-V342 HydrophobicContact CE1-CG2 4.19Å; F338-V342 HydrophobicContact CE2-CG2 4.22Å; F338-V342 HydrophobicContact CZ-CG2 3.99Å; F338-V342 WeakPolarHBondContact O-CB 3.38Å; F338-V342 WeakPolarHBondContact O-CG2 3.36Å; F338-V342 PolarHBondContact O-N 3.42Å; L339-V342 CarbonylContact O-C 3.56Å; L339-V342 WeakPolarHBondContact O-CB 3.46Å; L339-V342 PolarHBondContact O-N 2.88Å; H340-V342 VanDerWaalsContact C-N 3.26Å; H340-V342 PolarHBondContact O-N 2.8Å; V342-Q344 PolarHBondContact O-N 2.98Å; V342-D345 PolarHBondContact O-N 3.22Å; V342-L348 HydrophobicContact CB-CD2 4.21Å; V342-L348 HydrophobicContact CG1-CD2 3.73Å; V342-L348 HydrophobicContact CG2-CD2 4.12Å
343F42.5Very low43.8Very low116 Ų11691.4 Ų91.451%0.50945%0.453SS..THydrogen-bonded Turntrans-81.68.3176.8-59.2-38.6000113.7L339 H340 H349L339-F343 HydrophobicContact CB-CD2 4.17Å; L339-F343 HydrophobicContact CB-CE2 3.88Å; L339-F343 HydrophobicContact CD2-CE2 4.34Å; L339-F343 HydrophobicContact CD2-CZ 4.25Å; L339-F343 VanDerWaalsContact O-CB 3.26Å; L339-F343 WeakPolarHBondContact O-CB 3.42Å; L339-F343 WeakPolarHBondContact O-CD2 3.47Å; L339-F343 WeakPolarHBondContact O-CG 3.41Å; L339-F343 PolarHBondContact O-N 2.6Å; H340-F343 CarbonylContact O-C 3.41Å; H340-F343 PolarHBondContact O-N 2.92Å; F343-H349 PolarHBondContact O-NE2 3.04Å
344Q45.2Very low43.8Very low144 Ų14487 Ų8767%0.67344%0.435SS*.THydrogen-bonded Turntrans-112.5-10.5164.5-73.4176.82.600111.9H340 S341 V342 Q346H340-Q344 WeakPolarHBondContact O-CB 3.5Å; H340-Q344 VanDerWaalsContact O-CG 3.3Å; H340-Q344 WeakPolarHBondContact O-CG 3.5Å; H340-Q344 PolarHBondContact O-N 3.26Å; S341-Q344 PolarHBondContact O-N 3.06Å; V342-Q344 PolarHBondContact O-N 2.98Å; Q344-Q346 PolarHBondContact O-N 2.78Å
345D45.6Very low43.7Very low43 Ų4382.8 Ų82.823%0.2341%0.414CS..  trans-77.2107.8-179.3-171.1-68.8000110.9R199 S341 V342 H347 L348 H349R199-D345 IonicContact CZ-OD1 3.76Å; R199-D345 IonicContact CZ-OD2 3.26Å; R199-D345 VanDerWaalsContact CZ-OD2 3.27Å; R199-D345 IonicContact NE-OD2 2.81Å; R199-D345 PolarHBondContact NE-OD2 3.32Å; R199-D345 IonicContact NH2-OD1 3.85Å; R199-D345 PolarHBondContact NH2-OD1 2.8Å; R199-D345 IonicContact NH2-OD2 2.68Å; R199-D345 PolarHBondContact NH2-OD2 2.89Å; S341-D345 PolarHBondContact O-N 2.98Å; V342-D345 PolarHBondContact O-N 3.22Å; D345-H347 VanDerWaalsContact C-N 3.27Å; D345-H347 PolarHBondContact O-N 3.22Å; D345-H347 WeakPolarHBondContact OD1-CB 3.29Å; D345-H347 PolarHBondContact OD1-N 3.14Å; D345-L348 HydrophobicContact CB-CB 4Å; D345-L348 PolarHBondContact O-N 3.04Å; D345-L348 PolarHBondContact OD1-N 3.25Å; D345-H349 PolarHBondContact O-CD2 2.75Å; D345-H349 VanDerWaalsContact O-CD2 3.32Å; D345-H349 PolarHBondContact O-N 2.89Å
346Q45.5Very low43.4Very low164 Ų16484.7 Ų84.777%0.76642%0.424SS*.Hα-helixtrans-69.7-23.7-171.9-148.8162.21200113.2Q344 T350Q344-Q346 PolarHBondContact O-N 2.78Å; Q346-T350 PolarHBondContact O-N 3.12Å; Q346-T350 VanDerWaalsContact O-N 3.16Å; Q346-T350 PolarHBondContact O-OG1 2.98Å
347H45.1Very low43.6Very low112 Ų11284.7 Ų84.752%0.51942%0.42SS..Hα-helixtrans-78.5-40.9174.7-169.283.8000111D345 T350 L351D345-H347 VanDerWaalsContact C-N 3.27Å; D345-H347 PolarHBondContact O-N 3.22Å; D345-H347 WeakPolarHBondContact OD1-CB 3.29Å; D345-H347 PolarHBondContact OD1-N 3.14Å; H347-T350 WeakPolarHBondContact O-CB 3.43Å; H347-T350 PolarHBondContact O-N 2.95Å; H347-L351 PolarHBondContact O-N 3.14Å
348L43.5Very low43.4Very low3 Ų382.8 Ų82.82%0.01641%0.408CS..Hα-helixtrans-67.7-36.7172.8-177.857.1000111.8L328 V342 D345 T350 L351 L352L328-L348 HydrophobicContact CD1-CD1 3.88Å; L328-L348 HydrophobicContact CD1-CD2 3.83Å; L328-L348 HydrophobicContact CD1-CG 4.35Å; V342-L348 HydrophobicContact CB-CD2 4.21Å; V342-L348 HydrophobicContact CG1-CD2 3.73Å; V342-L348 HydrophobicContact CG2-CD2 4.12Å; D345-L348 HydrophobicContact CB-CB 4Å; D345-L348 PolarHBondContact O-N 3.04Å; D345-L348 PolarHBondContact OD1-N 3.25Å; L348-T350 VanDerWaalsContact C-N 3.3Å; L348-T350 PolarHBondContact O-N 2.88Å; L348-L351 CarbonylContact O-C 3.29Å; L348-L351 PolarHBondContact O-N 2.86Å; L348-L352 HydrophobicContact CD1-CD1 4.21Å; L348-L352 HydrophobicContact CD1-CG 3.99Å; L348-L352 HydrophobicContact CG-CD1 3.92Å; L348-L352 HydrophobicContact CG-CG 4.18Å; L348-L352 WeakPolarHBondContact O-CB 3.47Å; L348-L352 VanDerWaalsContact O-CG 3.31Å; L348-L352 WeakPolarHBondContact O-CG 3.45Å; L348-L352 PolarHBondContact O-N 2.79Å
349H45Very low42.9Very low82 Ų8282 Ų8238%0.3841%0.408SS..Hα-helixtrans-58.6-41.8168.8-86.2-60.2000112F343 D345 L351 L352 D353F343-H349 PolarHBondContact O-NE2 3.04Å; D345-H349 PolarHBondContact O-CD2 2.75Å; D345-H349 VanDerWaalsContact O-CD2 3.32Å; D345-H349 PolarHBondContact O-N 2.89Å; H349-L351 VanDerWaalsContact C-N 3.34Å; H349-L351 PolarHBondContact O-N 3.44Å; H349-L352 PolarHBondContact O-N 2.89Å; H349-D353 WeakPolarHBondContact O-CB 3.09Å; H349-D353 PolarHBondContact O-N 2.85Å
350T49.9Very low42.8Very low91 Ų9185.3 Ų85.356%0.55843%0.43SS*.Hα-helixtrans-65.1-38.6176.4-56.10000111.3Q346 H347 L348 L354Q346-T350 PolarHBondContact O-N 3.12Å; Q346-T350 VanDerWaalsContact O-N 3.16Å; Q346-T350 PolarHBondContact O-OG1 2.98Å; H347-T350 WeakPolarHBondContact O-CB 3.43Å; H347-T350 PolarHBondContact O-N 2.95Å; L348-T350 VanDerWaalsContact C-N 3.3Å; L348-T350 PolarHBondContact O-N 2.88Å; T350-L354 WeakPolarHBondContact O-CB 3.47Å; T350-L354 PolarHBondContact O-N 2.9Å
351L43.5Very low42.7Very low42 Ų4288.8 Ų88.822%0.2244%0.443CS..Hα-helixtrans-71.6-34.6174.8-74.1166.5000113.5H347 L348 H349 Y355H347-L351 PolarHBondContact O-N 3.14Å; L348-L351 CarbonylContact O-C 3.29Å; L348-L351 PolarHBondContact O-N 2.86Å; H349-L351 VanDerWaalsContact C-N 3.34Å; H349-L351 PolarHBondContact O-N 3.44Å; L351-Y355 WeakPolarHBondContact O-CB 3.25Å; L351-Y355 PolarHBondContact O-N 2.84Å
352L40.8Very low42.2Very low48 Ų4888.4 Ų88.425%0.25144%0.44SS..Hα-helixtrans-76.4-39.2177.6-74.3174.4000111.5L348 H349 L354 Y355 D356L348-L352 HydrophobicContact CD1-CD1 4.21Å; L348-L352 HydrophobicContact CD1-CG 3.99Å; L348-L352 HydrophobicContact CG-CD1 3.92Å; L348-L352 HydrophobicContact CG-CG 4.18Å; L348-L352 WeakPolarHBondContact O-CB 3.47Å; L348-L352 VanDerWaalsContact O-CG 3.31Å; L348-L352 WeakPolarHBondContact O-CG 3.45Å; L348-L352 PolarHBondContact O-N 2.79Å; H349-L352 PolarHBondContact O-N 2.89Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L352-Y355 PolarHBondContact O-N 3.04Å; L352-D356 WeakPolarHBondContact O-CB 3.3Å; L352-D356 PolarHBondContact O-N 2.73Å
353D44.8Very low41.8Very low80 Ų8093 Ų9343%0.42847%0.474SS..Hα-helixtrans-66.4-34.8171.4176.952.8000111H349 K357H349-D353 WeakPolarHBondContact O-CB 3.09Å; H349-D353 PolarHBondContact O-N 2.85Å; D353-K357 WeakPolarHBondContact O-CB 3.39Å; D353-K357 VanDerWaalsContact O-CD 3.32Å; D353-K357 WeakPolarHBondContact O-CD 3.37Å; D353-K357 WeakPolarHBondContact O-CG 3.31Å; D353-K357 PolarHBondContact O-N 2.63Å; D353-K357 WeakPolarHBondContact OD1-CE 3.49Å; D353-K357 IonicContact OD1-NZ 3.79Å; D353-K357 PolarHBondContact OD1-NZ 3.39Å; D353-K357 IonicContact OD2-NZ 2.68Å; D353-K357 PolarHBondContact OD2-NZ 2.88Å
354L43.8Very low41.7Very low86 Ų8693 Ų9345%0.4549%0.485SS..Hα-helixtrans-64.8-48.5168.3-174.470.8000111.8T350 L352 D356 K357 I358T350-L354 WeakPolarHBondContact O-CB 3.47Å; T350-L354 PolarHBondContact O-N 2.9Å; L352-L354 VanDerWaalsContact C-N 3.33Å; L354-D356 PolarHBondContact O-N 2.67Å; L354-K357 PolarHBondContact O-N 3.47Å; L354-I358 HydrophobicContact CG-CD1 4.18Å; L354-I358 WeakPolarHBondContact O-CD1 3.44Å; L354-I358 VanDerWaalsContact O-CG1 3.25Å; L354-I358 WeakPolarHBondContact O-CG1 3.23Å; L354-I358 PolarHBondContact O-N 3.32Å
355Y40.1Very low41.3Very low108 Ų10894.9 Ų94.942%0.42449%0.494SS..Hα-helixtrans-63.7-36.9178.5177.5-99.5000112.8L351 L352 I358 N359L351-Y355 WeakPolarHBondContact O-CB 3.25Å; L351-Y355 PolarHBondContact O-N 2.84Å; L352-Y355 PolarHBondContact O-N 3.04Å; Y355-I358 PolarHBondContact O-N 2.92Å; Y355-N359 WeakPolarHBondContact CE1-ND2 3.27Å; Y355-N359 WeakPolarHBondContact CE2-ND2 3.39Å; Y355-N359 WeakPolarHBondContact O-CB 3.39Å; Y355-N359 PolarHBondContact O-N 3.21Å; Y355-N359 PolarHBondContact O-ND2 3.05Å; Y355-N359 PolarHBondContact OH-ND2 2.91Å
356D39.3Very low40.8Very low87 Ų87100.4 Ų100.447%0.46552%0.521SS..Hα-helixtrans-76.7-35.7177.4-162.465.8000111.3L352 L354 I358 N359 T360L352-D356 WeakPolarHBondContact O-CB 3.3Å; L352-D356 PolarHBondContact O-N 2.73Å; L354-D356 PolarHBondContact O-N 2.67Å; D356-I358 VanDerWaalsContact C-N 3.26Å; D356-I358 PolarHBondContact O-N 3.47Å; D356-N359 PolarHBondContact O-N 3.24Å; D356-T360 WeakPolarHBondContact O-CB 3.41Å; D356-T360 WeakPolarHBondContact O-CG2 3.35Å; D356-T360 PolarHBondContact O-N 3.49Å; D356-T360 PolarHBondContact O-OG1 3.32Å; D356-T360 WeakPolarHBondContact OD1-CG2 3.45Å; D356-T360 VanDerWaalsContact OD2-CG2 3.31Å; D356-T360 WeakPolarHBondContact OD2-CG2 3.4Å
357K43.1Very low40.8Very low112 Ų112103.1 Ų103.149%0.48753%0.525SS..Hα-helixtrans-64-29.8168.1-77.5165.4-177.6162.60113.1D353 L354D353-K357 WeakPolarHBondContact O-CB 3.39Å; D353-K357 VanDerWaalsContact O-CD 3.32Å; D353-K357 WeakPolarHBondContact O-CD 3.37Å; D353-K357 WeakPolarHBondContact O-CG 3.31Å; D353-K357 PolarHBondContact O-N 2.63Å; D353-K357 WeakPolarHBondContact OD1-CE 3.49Å; D353-K357 IonicContact OD1-NZ 3.79Å; D353-K357 PolarHBondContact OD1-NZ 3.39Å; D353-K357 IonicContact OD2-NZ 2.68Å; D353-K357 PolarHBondContact OD2-NZ 2.88Å; L354-K357 PolarHBondContact O-N 3.47Å
358I40.5Very low40.9Very low105 Ų105100.9 Ų100.954%0.53852%0.517SS..Hα-helixtrans-72-49.5171.2-71.3163.1000110.2L354 Y355 D356 S362L354-I358 HydrophobicContact CG-CD1 4.18Å; L354-I358 WeakPolarHBondContact O-CD1 3.44Å; L354-I358 VanDerWaalsContact O-CG1 3.25Å; L354-I358 WeakPolarHBondContact O-CG1 3.23Å; L354-I358 PolarHBondContact O-N 3.32Å; Y355-I358 PolarHBondContact O-N 2.92Å; D356-I358 VanDerWaalsContact C-N 3.26Å; D356-I358 PolarHBondContact O-N 3.47Å; I358-S362 WeakPolarHBondContact O-CB 3.14Å; I358-S362 PolarHBondContact O-OG 3.07Å
359N34Very low41.3Very low69 Ų69103 Ų10337%0.36953%0.531SS..Hα-helixtrans-79.1-43.5-173.5-80.7-46.2000115.2Y355 D356 K361 S362Y355-N359 WeakPolarHBondContact CE1-ND2 3.27Å; Y355-N359 WeakPolarHBondContact CE2-ND2 3.39Å; Y355-N359 WeakPolarHBondContact O-CB 3.39Å; Y355-N359 PolarHBondContact O-N 3.21Å; Y355-N359 PolarHBondContact O-ND2 3.05Å; Y355-N359 PolarHBondContact OH-ND2 2.91Å; D356-N359 PolarHBondContact O-N 3.24Å; N359-K361 PolarHBondContact O-N 2.8Å; N359-S362 WeakPolarHBondContact CA-OG 3.43Å; N359-S362 PolarHBondContact O-N 2.99Å; N359-S362 PolarHBondContact O-OG 3.4Å
360T37.7Very low42.2Very low98 Ų98102.9 Ų102.960%0.60154%0.537SS*.THydrogen-bonded Turntrans-69.1-18.6-178.359.30000113.1D356D356-T360 WeakPolarHBondContact O-CB 3.41Å; D356-T360 WeakPolarHBondContact O-CG2 3.35Å; D356-T360 PolarHBondContact O-N 3.49Å; D356-T360 PolarHBondContact O-OG1 3.32Å; D356-T360 WeakPolarHBondContact OD1-CG2 3.45Å; D356-T360 VanDerWaalsContact OD2-CG2 3.31Å; D356-T360 WeakPolarHBondContact OD2-CG2 3.4Å
361K41.3Very low43.4Very low183 Ų183101.4 Ų101.480%0.79653%0.53SS*.THydrogen-bonded Turntrans-93.9-1.5171.3-69.6-171.6172.8-176.90114.2N359N359-K361 PolarHBondContact O-N 2.8Å
362S33.2Very low44.9Very low71 Ų71101.7 Ų101.750%0.49753%0.532SS..  trans-110.192.5-174.266.90000114.1I358 N359I358-S362 WeakPolarHBondContact O-CB 3.14Å; I358-S362 PolarHBondContact O-OG 3.07Å; N359-S362 WeakPolarHBondContact CA-OG 3.43Å; N359-S362 PolarHBondContact O-N 2.99Å; N359-S362 PolarHBondContact O-OG 3.4Å
363S33.3Very low46.7Very low110 Ų110100.4 Ų100.477%0.76953%0.528SS*.SBendtrans-178.5138.8148.3-173.20000111.3
364P40.3Very low48.3Very low115 Ų11598.2 Ų98.275%0.74752%0.518SS*.SBendcis-129.482.6-16.333.3-13.1000111.4
365Q36.3Very low49.9Very low183 Ų18398.6 Ų98.686%0.85552%0.517SS*.  trans-155.4100.3165.1-109.5172.426.200108.6R367Q365-R367 PolarHBondContact O-N 3.31Å
366I35.5Very low51.8Low159 Ų15999.8 Ų99.882%0.81552%0.521SS*.  trans-76.696.3172-57.6177.1000107
367R45.1Very low53.8Low222 Ų22296.3 Ų96.384%0.83850%0.504SS*.PPolyproline II helixtrans-78.1136.6145.9-77.1-174.9172.6-167.3-3.7107.1Q365Q365-R367 PolarHBondContact O-N 3.31Å
368N47.8Very low55.5Low65 Ų6596.2 Ų96.235%0.34850%0.504SS..PPolyproline II helixtrans-53.1138.6171.8-53-1.9000108.8Y420 D422N368-Y420 WeakPolarHBondContact CB-O 3.37Å; N368-Y420 PolarHBondContact OD1-O 3.13Å; N368-D422 PolarHBondContact ND2-N 3.19Å; N368-D422 PolarHBondContact ND2-OD1 2.84Å
369P52.4Low57.6Low47 Ų4795.3 Ų95.331%0.30550%0.497SS..PPolyproline II helixtrans-63.9144.7174.4-6.420.3000109.3A416P369-A416 HydrophobicContact CB-CB 3.74Å; P369-A416 HydrophobicContact CG-CB 4.1Å
370P64.2Low59.8Low79 Ų7994.5 Ų94.551%0.51350%0.495SS..PPolyproline II helixtrans-73.7130.7176.430.9-33.5000110D372 H412P370-D372 PolarHBondContact O-N 2.78Å; P370-H412 PolarHBondContact O-CE1 3.05Å; P370-H412 VanDerWaalsContact O-CE1 3.26Å
371S74.6Confident61.9Low60 Ų6091.4 Ų91.442%0.4247%0.474SS..THydrogen-bonded Turntrans-9048.1177.461.40000111.8D413S371-D413 WeakPolarHBondContact CB-O 3.42Å
372D75.3Confident63.9Low49 Ų4989 Ų8926%0.26247%0.466SS..THydrogen-bonded Turntrans-131.810.3-175.271.86.1000114.4P370 V374 Q375 R376 D413P370-D372 PolarHBondContact O-N 2.78Å; D372-V374 VanDerWaalsContact C-N 3.3Å; D372-V374 PolarHBondContact O-N 2.97Å; D372-Q375 PolarHBondContact O-N 2.74Å; D372-Q375 VanDerWaalsContact O-N 3.08Å; D372-R376 WeakPolarHBondContact O-CG 3.36Å; D372-R376 PolarHBondContact O-N 3.24Å; D372-R376 WeakPolarHBondContact OD1-CD 3.2Å; D372-R376 IonicContact OD1-CZ 3.8Å; D372-R376 IonicContact OD1-NE 3.65Å; D372-R376 PolarHBondContact OD1-NE 2.79Å; D372-R376 IonicContact OD1-NH2 2.78Å; D372-R376 IonicContact OD2-CZ 3.03Å; D372-R376 VanDerWaalsContact OD2-CZ 3.26Å; D372-R376 IonicContact OD2-NE 2.63Å; D372-R376 PolarHBondContact OD2-NE 3.43Å; D372-R376 VanDerWaalsContact OD2-NE 3.1Å; D372-R376 IonicContact OD2-NH2 2.7Å; D372-R376 PolarHBondContact OD2-NH2 3.2Å; D372-D413 PolarHBondContact N-OD1 3.05Å
373A78.5Confident66.3Low20 Ų2092.2 Ų92.217%0.16547%0.473CS..Hα-helixtrans-63.5-33-177.200000112.9A377 L409 D413A373-A377 WeakPolarHBondContact O-CB 3.44Å; A373-A377 PolarHBondContact O-N 3.29Å; A373-L409 HydrophobicContact CB-CB 4.49Å; A373-L409 HydrophobicContact CB-CD2 3.85Å; A373-D413 WeakPolarHBondContact CB-OD1 3.26Å; A373-D413 VanDerWaalsContact N-CG 3.3Å; A373-D413 PolarHBondContact N-OD1 2.97Å; A373-D413 PolarHBondContact N-OD2 2.98Å
374V77.6Confident68.8Low34 Ų3488.3 Ų88.321%0.20644%0.443CS..Hα-helixtrans-67.4-40.3172.5176.30000111.5D372 A377 K378 L409 Q410 D413D372-V374 VanDerWaalsContact C-N 3.3Å; D372-V374 PolarHBondContact O-N 2.97Å; V374-A377 PolarHBondContact O-N 2.94Å; V374-K378 PolarHBondContact O-N 3.06Å; V374-L409 VanDerWaalsContact CG2-C 3.49Å; V374-L409 HydrophobicContact CG2-CB 3.91Å; V374-Q410 HydrophobicContact CG1-CG 4.44Å; V374-Q410 HydrophobicContact CG2-CB 4.14Å; V374-Q410 HydrophobicContact CG2-CG 3.52Å; V374-D413 WeakPolarHBondContact CB-OD2 3.44Å; V374-D413 WeakPolarHBondContact CG2-OD2 3.28Å; V374-D413 PolarHBondContact N-OD2 3.12Å
375Q78.7Confident70.6Confident95 Ų9585.8 Ų85.844%0.44443%0.429SS..Hα-helixtrans-68.3-44.4178.8176.153.531.600110.5D372 A377 K378 E379D372-Q375 PolarHBondContact O-N 2.74Å; D372-Q375 VanDerWaalsContact O-N 3.08Å; Q375-A377 VanDerWaalsContact C-N 3.31Å; Q375-A377 PolarHBondContact O-N 2.92Å; Q375-K378 WeakPolarHBondContact O-CB 3.33Å; Q375-K378 PolarHBondContact O-N 2.84Å; Q375-K378 VanDerWaalsContact O-N 3.11Å; Q375-E379 WeakPolarHBondContact CG-OE1 3.44Å; Q375-E379 PolarHBondContact NE2-OE1 3.11Å; Q375-E379 WeakPolarHBondContact O-CG 3.45Å; Q375-E379 PolarHBondContact O-N 2.9Å
376R79.4Confident72.8Confident133 Ų13381.5 Ų81.550%0.50242%0.418SS..Hα-helixtrans-61-36.6173.3-68178.6-174.6-63.5-13.9113D372 K378 E379 V380D372-R376 WeakPolarHBondContact O-CG 3.36Å; D372-R376 PolarHBondContact O-N 3.24Å; D372-R376 WeakPolarHBondContact OD1-CD 3.2Å; D372-R376 IonicContact OD1-CZ 3.8Å; D372-R376 IonicContact OD1-NE 3.65Å; D372-R376 PolarHBondContact OD1-NE 2.79Å; D372-R376 IonicContact OD1-NH2 2.78Å; D372-R376 IonicContact OD2-CZ 3.03Å; D372-R376 VanDerWaalsContact OD2-CZ 3.26Å; D372-R376 IonicContact OD2-NE 2.63Å; D372-R376 PolarHBondContact OD2-NE 3.43Å; D372-R376 VanDerWaalsContact OD2-NE 3.1Å; D372-R376 IonicContact OD2-NH2 2.7Å; D372-R376 PolarHBondContact OD2-NH2 3.2Å; R376-K378 VanDerWaalsContact C-N 3.33Å; R376-K378 PolarHBondContact O-N 3.38Å; R376-E379 PolarHBondContact O-N 3.4Å; R376-V380 WeakPolarHBondContact O-CG2 3.26Å; R376-V380 PolarHBondContact O-N 3.48Å
377A81.1Confident75Confident13 Ų1381 Ų8111%0.10741%0.407CS..Hα-helixtrans-65.8-34.6175.300000112.5A373 V374 Q375 L381 L400 L409A373-A377 WeakPolarHBondContact O-CB 3.44Å; A373-A377 PolarHBondContact O-N 3.29Å; V374-A377 PolarHBondContact O-N 2.94Å; Q375-A377 VanDerWaalsContact C-N 3.31Å; Q375-A377 PolarHBondContact O-N 2.92Å; A377-L381 WeakPolarHBondContact O-CB 3.01Å; A377-L381 WeakPolarHBondContact O-CD1 3.32Å; A377-L381 WeakPolarHBondContact O-CG 3.43Å; A377-L381 PolarHBondContact O-N 3Å; A377-L400 HydrophobicContact CB-CD2 4.28Å; A377-L409 HydrophobicContact CB-CD1 3.74Å
378K78.6Confident76.2Confident110 Ų11074.8 Ų74.848%0.47840%0.395SS..Hα-helixtrans-66.5-48171.1-68.7177.5178.5-179.50111.8V374 Q375 R376 V380 L381 E382V374-K378 PolarHBondContact O-N 3.06Å; Q375-K378 WeakPolarHBondContact O-CB 3.33Å; Q375-K378 PolarHBondContact O-N 2.84Å; Q375-K378 VanDerWaalsContact O-N 3.11Å; R376-K378 VanDerWaalsContact C-N 3.33Å; R376-K378 PolarHBondContact O-N 3.38Å; K378-V380 VanDerWaalsContact C-N 3.3Å; K378-V380 PolarHBondContact O-N 2.81Å; K378-L381 CarbonylContact O-C 3.59Å; K378-L381 WeakPolarHBondContact O-CA 3.28Å; K378-L381 WeakPolarHBondContact O-CB 3.35Å; K378-L381 PolarHBondContact O-N 3.01Å; K378-E382 WeakPolarHBondContact O-CG 3.39Å; K378-E382 PolarHBondContact O-N 2.97Å
379E84.7Confident77.6Confident86 Ų8679 Ų7940%0.40241%0.412SS..Hα-helixtrans-55.9-44.7177.9-70.4161.5-172.600111.6Q375 R376 E382 E383Q375-E379 WeakPolarHBondContact CG-OE1 3.44Å; Q375-E379 PolarHBondContact NE2-OE1 3.11Å; Q375-E379 WeakPolarHBondContact O-CG 3.45Å; Q375-E379 PolarHBondContact O-N 2.9Å; R376-E379 PolarHBondContact O-N 3.4Å; E379-E382 PolarHBondContact O-N 3.45Å; E379-E383 WeakPolarHBondContact O-CB 3.4Å; E379-E383 PolarHBondContact O-N 3.47Å
380V79.4Confident79.3Confident52 Ų5280.5 Ų80.532%0.31542%0.418SS..Hα-helixtrans-66.3-39.9174.5173.40000112R376 K378 E382 E383 I384 L396 L400R376-V380 WeakPolarHBondContact O-CG2 3.26Å; R376-V380 PolarHBondContact O-N 3.48Å; K378-V380 VanDerWaalsContact C-N 3.3Å; K378-V380 PolarHBondContact O-N 2.81Å; V380-E382 VanDerWaalsContact C-N 3.31Å; V380-E382 PolarHBondContact O-N 2.91Å; V380-E383 PolarHBondContact O-N 3.01Å; V380-I384 HydrophobicContact CG1-CD1 4.46Å; V380-I384 HydrophobicContact CG1-CG2 4.24Å; V380-I384 VanDerWaalsContact O-CG1 3.25Å; V380-I384 WeakPolarHBondContact O-CG1 3.46Å; V380-I384 WeakPolarHBondContact O-CG2 3.47Å; V380-I384 PolarHBondContact O-N 3.1Å; V380-L396 HydrophobicContact CG1-CD2 3.92Å; V380-L400 HydrophobicContact CB-CD1 4.07Å; V380-L400 HydrophobicContact CG1-CD1 3.58Å
381L83.4Confident80.3Confident33 Ų3382.2 Ų82.217%0.17342%0.423CS..Hα-helixtrans-64.4-34176.5-81167.6000113A377 K378 I384 S385 K397 L400 T401A377-L381 WeakPolarHBondContact O-CB 3.01Å; A377-L381 WeakPolarHBondContact O-CD1 3.32Å; A377-L381 WeakPolarHBondContact O-CG 3.43Å; A377-L381 PolarHBondContact O-N 3Å; K378-L381 CarbonylContact O-C 3.59Å; K378-L381 WeakPolarHBondContact O-CA 3.28Å; K378-L381 WeakPolarHBondContact O-CB 3.35Å; K378-L381 PolarHBondContact O-N 3.01Å; L381-I384 HydrophobicContact CD2-CD1 4.43Å; L381-S385 PolarHBondContact O-N 3.48Å; L381-K397 HydrophobicContact CD2-CB 4.2Å; L381-K397 HydrophobicContact CD2-CG 3.79Å; L381-L400 HydrophobicContact CD1-CB 4.05Å; L381-L400 HydrophobicContact CD2-CB 3.94Å; L381-L400 HydrophobicContact CD2-CD1 4.49Å; L381-L400 HydrophobicContact CG-CB 3.94Å; L381-L400 HydrophobicContact CG-CD1 4.17Å; L381-T401 HydrophobicContact CD1-CG2 3.95Å; L381-T401 HydrophobicContact CD2-CG2 3.78Å
382E83Confident80.6Confident133 Ų13385.2 Ų85.262%0.62143%0.434SS*.Hα-helixtrans-71.5-48.7173.2-72.6173.6-163.700110.9K378 E379 V380 I384 S385K378-E382 WeakPolarHBondContact O-CG 3.39Å; K378-E382 PolarHBondContact O-N 2.97Å; E379-E382 PolarHBondContact O-N 3.45Å; V380-E382 VanDerWaalsContact C-N 3.31Å; V380-E382 PolarHBondContact O-N 2.91Å; E382-I384 PolarHBondContact O-N 3.22Å; E382-S385 VanDerWaalsContact O-CB 3.26Å; E382-S385 WeakPolarHBondContact O-CB 3.41Å; E382-S385 PolarHBondContact O-N 3.36Å; E382-S385 VanDerWaalsContact O-N 3.13Å; E382-S385 PolarHBondContact O-OG 2.98Å
383E83.4Confident80.8Confident138 Ų13883.4 Ų83.465%0.64543%0.426SS*.Hα-helixtrans-64.1-42.4-179.2-170.9169.7-153.200112.6E379 V380 S385 C386E379-E383 WeakPolarHBondContact O-CB 3.4Å; E379-E383 PolarHBondContact O-N 3.47Å; V380-E383 PolarHBondContact O-N 3.01Å; E383-S385 PolarHBondContact O-N 3.32Å; E383-C386 WeakPolarHBondContact O-CB 3.41Å; E383-C386 PolarHBondContact O-N 2.91Å
384I84.8Confident80.9Confident28 Ų2886.7 Ų86.714%0.14444%0.437CS..G310 helixtrans-73.7-12.5176.574.6-169.7000113.4V380 L381 E382 C386 Y387 A393 L396 K397V380-I384 HydrophobicContact CG1-CD1 4.46Å; V380-I384 HydrophobicContact CG1-CG2 4.24Å; V380-I384 VanDerWaalsContact O-CG1 3.25Å; V380-I384 WeakPolarHBondContact O-CG1 3.46Å; V380-I384 WeakPolarHBondContact O-CG2 3.47Å; V380-I384 PolarHBondContact O-N 3.1Å; L381-I384 HydrophobicContact CD2-CD1 4.43Å; E382-I384 PolarHBondContact O-N 3.22Å; I384-C386 PolarHBondContact O-N 2.91Å; I384-Y387 PolarHBondContact O-N 3.25Å; I384-Y387 VanDerWaalsContact O-N 3.09Å; I384-A393 HydrophobicContact CB-CB 4.17Å; I384-L396 HydrophobicContact CD1-CB 4.22Å; I384-L396 HydrophobicContact CD1-CD2 4.23Å; I384-L396 HydrophobicContact CD1-CG 4.09Å; I384-L396 HydrophobicContact CG2-CD2 4.37Å; I384-K397 HydrophobicContact CD1-CB 3.94Å
385S78Confident81.2Confident63 Ų6389.7 Ų89.744%0.44145%0.449SS..G310 helixtrans-63.8-26.1174.780.70000112.5L381 E382 E383 Y387L381-S385 PolarHBondContact O-N 3.48Å; E382-S385 VanDerWaalsContact O-CB 3.26Å; E382-S385 WeakPolarHBondContact O-CB 3.41Å; E382-S385 PolarHBondContact O-N 3.36Å; E382-S385 VanDerWaalsContact O-N 3.13Å; E382-S385 PolarHBondContact O-OG 2.98Å; E383-S385 PolarHBondContact O-N 3.32Å; S385-Y387 PolarHBondContact O-N 3.05Å
386C83.5Confident81.1Confident93 Ų9388.6 Ų88.663%0.62845%0.445SS*.G310 helixtrans-69.4-11174.5-650000114.1E383 I384 P388E383-C386 WeakPolarHBondContact O-CB 3.41Å; E383-C386 PolarHBondContact O-N 2.91Å; I384-C386 PolarHBondContact O-N 2.91Å; C386-P388 VanDerWaalsContact O-CD 3.26Å; C386-P388 WeakPolarHBondContact O-CD 3.49Å
387Y81.2Confident81.2Confident148 Ų14887.1 Ų87.158%0.5844%0.443SS*.  trans-12054.6-176-60.3-78.2000112.7I384 S385 E389 N390I384-Y387 PolarHBondContact O-N 3.25Å; I384-Y387 VanDerWaalsContact O-N 3.09Å; S385-Y387 PolarHBondContact O-N 3.05Å; Y387-E389 PolarHBondContact O-N 3.13Å; Y387-N390 PolarHBondContact O-N 2.89Å; Y387-N390 VanDerWaalsContact O-N 3.1Å
388P71.1Confident81.3Confident91 Ų9192.9 Ų92.959%0.59146%0.462SS*.THydrogen-bonded Turntrans-66.4-8-168.429.9-38.2000114.7C386 K394C386-P388 VanDerWaalsContact O-CD 3.26Å; C386-P388 WeakPolarHBondContact O-CD 3.49Å; P388-K394 WeakPolarHBondContact O-CE 3.38Å
389E77.3Confident81.4Confident154 Ų15490.3 Ų90.372%0.7245%0.452SS*.THydrogen-bonded Turntrans-104.4-7.8175.9-66.4-59.6174.700115.7Y387 N391 K394Y387-E389 PolarHBondContact O-N 3.13Å; E389-N391 PolarHBondContact O-N 2.93Å; E389-K394 PolarHBondContact O-NZ 3.47Å; E389-K394 IonicContact OE2-NZ 3.97Å; E389-K394 PolarHBondContact OE2-NZ 2.99Å
390N88Confident80.9Confident78 Ų7887.1 Ų87.142%0.41744%0.438SS..  trans-76.3125.2176-174.9-16.2000110.5Y387 D392 A393 K394Y387-N390 PolarHBondContact O-N 2.89Å; Y387-N390 VanDerWaalsContact O-N 3.1Å; N390-D392 VanDerWaalsContact C-N 3.34Å; N390-D392 PolarHBondContact O-N 3.33Å; N390-D392 WeakPolarHBondContact OD1-CB 3.36Å; N390-D392 PolarHBondContact OD1-N 3.11Å; N390-A393 HydrophobicContact CB-CB 3.89Å; N390-A393 WeakPolarHBondContact O-CB 3.27Å; N390-A393 PolarHBondContact O-N 2.85Å; N390-K394 WeakPolarHBondContact O-CG 3.25Å; N390-K394 PolarHBondContact O-N 3.1Å
391N84.9Confident80.9Confident116 Ų11688 Ų8862%0.6244%0.444SS*.Hα-helixtrans-65.4-35.5179.2-69.7-27.5000112.7E389 A393 K394 E395E389-N391 PolarHBondContact O-N 2.93Å; N391-A393 VanDerWaalsContact C-N 3.3Å; N391-A393 PolarHBondContact O-N 3.42Å; N391-K394 WeakPolarHBondContact O-CB 3.41Å; N391-K394 PolarHBondContact O-N 3.35Å; N391-E395 PolarHBondContact O-N 2.8Å
392D80.4Confident80.5Confident122 Ų12290 Ų9065%0.65245%0.452SS*.Hα-helixtrans-68.1-35.5177.7-52.1-24.9000110.4N390 E395 L396N390-D392 VanDerWaalsContact C-N 3.34Å; N390-D392 PolarHBondContact O-N 3.33Å; N390-D392 WeakPolarHBondContact OD1-CB 3.36Å; N390-D392 PolarHBondContact OD1-N 3.11Å; D392-E395 PolarHBondContact O-N 2.83Å; D392-L396 VanDerWaalsContact O-CB 3.25Å; D392-L396 WeakPolarHBondContact O-CB 3.49Å; D392-L396 PolarHBondContact O-N 2.89Å
393A80.6Confident79.2Confident12 Ų1288.1 Ų88.110%0.09945%0.451CS..Hα-helixtrans-68.6-39.4172.300000112.1I384 N390 N391 K397I384-A393 HydrophobicContact CB-CB 4.17Å; N390-A393 HydrophobicContact CB-CB 3.89Å; N390-A393 WeakPolarHBondContact O-CB 3.27Å; N390-A393 PolarHBondContact O-N 2.85Å; N391-A393 VanDerWaalsContact C-N 3.3Å; N391-A393 PolarHBondContact O-N 3.42Å; A393-K397 WeakPolarHBondContact O-CB 3.22Å; A393-K397 PolarHBondContact O-N 2.69Å
394K79.3Confident77.9Confident88 Ų8889.3 Ų89.338%0.38346%0.456SS..Hα-helixtrans-62.3-42.4173.6-69.5166.4-173.4169.10111.2P388 E389 N390 N391 R398P388-K394 WeakPolarHBondContact O-CE 3.38Å; E389-K394 PolarHBondContact O-NZ 3.47Å; E389-K394 IonicContact OE2-NZ 3.97Å; E389-K394 PolarHBondContact OE2-NZ 2.99Å; N390-K394 WeakPolarHBondContact O-CG 3.25Å; N390-K394 PolarHBondContact O-N 3.1Å; N391-K394 WeakPolarHBondContact O-CB 3.41Å; N391-K394 PolarHBondContact O-N 3.35Å; K394-R398 WeakPolarHBondContact O-CB 3.09Å; K394-R398 PolarHBondContact O-N 2.69Å
395E85.1Confident76.9Confident98 Ų9891.8 Ų91.846%0.45847%0.467SS..Hα-helixtrans-69.4-48.1175.6174.9135.9-107.300112.4N391 D392 K397 R398 I399N391-E395 PolarHBondContact O-N 2.8Å; D392-E395 PolarHBondContact O-N 2.83Å; E395-K397 VanDerWaalsContact C-N 3.28Å; E395-K397 PolarHBondContact O-N 2.72Å; E395-R398 CarbonylContact O-C 3.55Å; E395-R398 WeakPolarHBondContact O-CA 3.22Å; E395-R398 WeakPolarHBondContact O-CB 3.29Å; E395-R398 PolarHBondContact O-N 3.07Å; E395-R398 IonicContact OE1-CZ 3.34Å; E395-R398 IonicContact OE1-NE 2.62Å; E395-R398 IonicContact OE1-NH2 2.97Å; E395-R398 PolarHBondContact OE1-NH2 3.15Å; E395-I399 HydrophobicContact CG-CD1 3.88Å; E395-I399 HydrophobicContact CG-CG1 4.43Å; E395-I399 WeakPolarHBondContact O-CG1 3.36Å; E395-I399 PolarHBondContact O-N 3.28Å
396L76.2Confident76.3Confident72 Ų7292.6 Ų92.638%0.37746%0.464SS..Hα-helixtrans-59.6-41.2178-177.959.2000111.3V380 I384 D392 I399 L400V380-L396 HydrophobicContact CG1-CD2 3.92Å; I384-L396 HydrophobicContact CD1-CB 4.22Å; I384-L396 HydrophobicContact CD1-CD2 4.23Å; I384-L396 HydrophobicContact CD1-CG 4.09Å; I384-L396 HydrophobicContact CG2-CD2 4.37Å; D392-L396 VanDerWaalsContact O-CB 3.25Å; D392-L396 WeakPolarHBondContact O-CB 3.49Å; D392-L396 PolarHBondContact O-N 2.89Å; L396-I399 PolarHBondContact O-N 3.25Å; L396-L400 HydrophobicContact CD1-CD1 3.94Å; L396-L400 HydrophobicContact CD1-CG 3.98Å; L396-L400 HydrophobicContact CG-CD1 3.92Å; L396-L400 HydrophobicContact CG-CG 4.34Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 WeakPolarHBondContact O-CG 3.38Å; L396-L400 PolarHBondContact O-N 3.05Å
397K81.4Confident75Confident102 Ų10290.1 Ų90.144%0.44345%0.45SS..Hα-helixtrans-58.4-48.4171.6-176.7162.3-174.81680111.5L381 I384 A393 E395 I399 L400 T401L381-K397 HydrophobicContact CD2-CB 4.2Å; L381-K397 HydrophobicContact CD2-CG 3.79Å; I384-K397 HydrophobicContact CD1-CB 3.94Å; A393-K397 WeakPolarHBondContact O-CB 3.22Å; A393-K397 PolarHBondContact O-N 2.69Å; E395-K397 VanDerWaalsContact C-N 3.28Å; E395-K397 PolarHBondContact O-N 2.72Å; K397-I399 VanDerWaalsContact C-N 3.26Å; K397-I399 PolarHBondContact O-N 3.25Å; K397-L400 PolarHBondContact O-N 3.03Å; K397-T401 WeakPolarHBondContact O-CG2 3.49Å; K397-T401 PolarHBondContact O-N 3.14Å; K397-T401 PolarHBondContact O-OG1 2.99Å; K397-T401 VanDerWaalsContact O-OG1 3.07Å
398R83.8Confident74.2Confident134 Ų13487.7 Ų87.751%0.50645%0.447SS..Hα-helixtrans-59.6-31.5176.5-174.2-173.171.587.7-4.7113K394 E395 Q402K394-R398 WeakPolarHBondContact O-CB 3.09Å; K394-R398 PolarHBondContact O-N 2.69Å; E395-R398 CarbonylContact O-C 3.55Å; E395-R398 WeakPolarHBondContact O-CA 3.22Å; E395-R398 WeakPolarHBondContact O-CB 3.29Å; E395-R398 PolarHBondContact O-N 3.07Å; E395-R398 IonicContact OE1-CZ 3.34Å; E395-R398 IonicContact OE1-NE 2.62Å; E395-R398 IonicContact OE1-NH2 2.97Å; E395-R398 PolarHBondContact OE1-NH2 3.15Å; R398-Q402 WeakPolarHBondContact O-CG 3.32Å; R398-Q402 PolarHBondContact O-NE2 3.39Å
399I79.2Confident73.9Confident56 Ų5684.9 Ų84.929%0.28743%0.427SS..Hα-helixtrans-80.2-48.3177.4-65.7170.5000110.9E395 L396 K397 T401 Q402 F405E395-I399 HydrophobicContact CG-CD1 3.88Å; E395-I399 HydrophobicContact CG-CG1 4.43Å; E395-I399 WeakPolarHBondContact O-CG1 3.36Å; E395-I399 PolarHBondContact O-N 3.28Å; L396-I399 PolarHBondContact O-N 3.25Å; K397-I399 VanDerWaalsContact C-N 3.26Å; K397-I399 PolarHBondContact O-N 3.25Å; I399-T401 VanDerWaalsContact C-N 3.26Å; I399-T401 PolarHBondContact O-N 2.6Å; I399-Q402 WeakPolarHBondContact O-CB 3.46Å; I399-Q402 PolarHBondContact O-N 3.35Å; I399-Q402 VanDerWaalsContact O-N 3.09Å; I399-F405 HydrophobicContact CG2-CD1 4.36Å; I399-F405 HydrophobicContact CG2-CD2 4.14Å; I399-F405 HydrophobicContact CG2-CE1 4.43Å; I399-F405 HydrophobicContact CG2-CE2 4.21Å; I399-F405 HydrophobicContact CG2-CG 4.22Å; I399-F405 HydrophobicContact CG2-CZ 4.36Å; I399-F405 WeakPolarHBondContact O-CB 3.48Å
400L75.9Confident73.1Confident19 Ų1981.7 Ų81.710%0.09941%0.412CS..Hα-helixtrans-67-24.3-179.2-67177.5000113.3A377 V380 L381 L396 K397 F405 M406A377-L400 HydrophobicContact CB-CD2 4.28Å; V380-L400 HydrophobicContact CB-CD1 4.07Å; V380-L400 HydrophobicContact CG1-CD1 3.58Å; L381-L400 HydrophobicContact CD1-CB 4.05Å; L381-L400 HydrophobicContact CD2-CB 3.94Å; L381-L400 HydrophobicContact CD2-CD1 4.49Å; L381-L400 HydrophobicContact CG-CB 3.94Å; L381-L400 HydrophobicContact CG-CD1 4.17Å; L396-L400 HydrophobicContact CD1-CD1 3.94Å; L396-L400 HydrophobicContact CD1-CG 3.98Å; L396-L400 HydrophobicContact CG-CD1 3.92Å; L396-L400 HydrophobicContact CG-CG 4.34Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 WeakPolarHBondContact O-CG 3.38Å; L396-L400 PolarHBondContact O-N 3.05Å; K397-L400 PolarHBondContact O-N 3.03Å; L400-F405 HydrophobicContact CD2-CD1 4.17Å; L400-F405 HydrophobicContact CD2-CE1 3.82Å; L400-M406 WeakPolarHBondContact O-CG 3.47Å
401T78.9Confident71.6Confident70 Ų7081.9 Ų81.943%0.42942%0.416SS..THydrogen-bonded Turntrans-95.97.7171.869.50000114.5L381 K397 I399L381-T401 HydrophobicContact CD1-CG2 3.95Å; L381-T401 HydrophobicContact CD2-CG2 3.78Å; K397-T401 WeakPolarHBondContact O-CG2 3.49Å; K397-T401 PolarHBondContact O-N 3.14Å; K397-T401 PolarHBondContact O-OG1 2.99Å; K397-T401 VanDerWaalsContact O-OG1 3.07Å; I399-T401 VanDerWaalsContact C-N 3.26Å; I399-T401 PolarHBondContact O-N 2.6Å
402Q74.8Confident71Confident74 Ų7480.3 Ų80.335%0.34641%0.405SS..  trans-72.6128.5173-99.1161.774.100109.8R398 I399 H404 F405 M406R398-Q402 WeakPolarHBondContact O-CG 3.32Å; R398-Q402 PolarHBondContact O-NE2 3.39Å; I399-Q402 WeakPolarHBondContact O-CB 3.46Å; I399-Q402 PolarHBondContact O-N 3.35Å; I399-Q402 VanDerWaalsContact O-N 3.09Å; Q402-H404 VanDerWaalsContact C-N 3.28Å; Q402-H404 PolarHBondContact O-N 3.07Å; Q402-H404 VanDerWaalsContact O-N 3.16Å; Q402-F405 HydrophobicContact CB-CB 4.23Å; Q402-F405 WeakPolarHBondContact O-CA 3.26Å; Q402-F405 WeakPolarHBondContact O-CB 3.34Å; Q402-F405 PolarHBondContact O-N 2.86Å; Q402-M406 PolarHBondContact O-N 2.97Å
403P55.2Low70.5Confident94 Ų9475.3 Ų75.361%0.6138%0.378SS*.Hα-helixtrans-54.1-40.9-174.4-30.135.9000114F405 M406 A407P403-F405 VanDerWaalsContact C-N 3.31Å; P403-F405 PolarHBondContact O-N 3.26Å; P403-M406 PolarHBondContact O-N 3.45Å; P403-A407 WeakPolarHBondContact O-CB 3.45Å; P403-A407 PolarHBondContact O-N 3.44Å
404H56.8Low69.4Low163 Ų16377.2 Ų77.276%0.75539%0.389SS*.Hα-helixtrans-66.6-30.6177.6-50.9-52.3000113.2Q402 L408Q402-H404 VanDerWaalsContact C-N 3.28Å; Q402-H404 PolarHBondContact O-N 3.07Å; Q402-H404 VanDerWaalsContact O-N 3.16Å; H404-L408 VanDerWaalsContact O-CB 3.27Å; H404-L408 WeakPolarHBondContact O-CB 3.47Å; H404-L408 PolarHBondContact O-N 3.34Å
405F63.4Low68.2Low81 Ų8175.8 Ų75.836%0.35539%0.387SS..Hα-helixtrans-78.6-42.3177.7-155.7-93000110.8I399 L400 Q402 P403 L408 L409I399-F405 HydrophobicContact CG2-CD1 4.36Å; I399-F405 HydrophobicContact CG2-CD2 4.14Å; I399-F405 HydrophobicContact CG2-CE1 4.43Å; I399-F405 HydrophobicContact CG2-CE2 4.21Å; I399-F405 HydrophobicContact CG2-CG 4.22Å; I399-F405 HydrophobicContact CG2-CZ 4.36Å; I399-F405 WeakPolarHBondContact O-CB 3.48Å; L400-F405 HydrophobicContact CD2-CD1 4.17Å; L400-F405 HydrophobicContact CD2-CE1 3.82Å; Q402-F405 HydrophobicContact CB-CB 4.23Å; Q402-F405 WeakPolarHBondContact O-CA 3.26Å; Q402-F405 WeakPolarHBondContact O-CB 3.34Å; Q402-F405 PolarHBondContact O-N 2.86Å; P403-F405 VanDerWaalsContact C-N 3.31Å; P403-F405 PolarHBondContact O-N 3.26Å; F405-L408 PolarHBondContact O-N 3.16Å; F405-L409 HydrophobicContact CD1-CD1 3.84Å; F405-L409 HydrophobicContact CD1-CG 4.27Å; F405-L409 HydrophobicContact CE1-CD1 3.93Å; F405-L409 HydrophobicContact CE1-CD2 4.42Å; F405-L409 HydrophobicContact CE1-CG 4.28Å; F405-L409 WeakPolarHBondContact O-CG 3.26Å; F405-L409 PolarHBondContact O-N 3.3Å
406M65.2Low67Low79 Ų7971.2 Ų71.239%0.38937%0.366SS..Hα-helixtrans-60-46.5171.7-66.3-175.470.500111.7L400 Q402 P403 L408 L409 Q410L400-M406 WeakPolarHBondContact O-CG 3.47Å; Q402-M406 PolarHBondContact O-N 2.97Å; P403-M406 PolarHBondContact O-N 3.45Å; M406-L408 VanDerWaalsContact C-N 3.31Å; M406-L408 PolarHBondContact O-N 2.81Å; M406-L409 PolarHBondContact O-N 2.68Å; M406-Q410 WeakPolarHBondContact O-CB 3.43Å; M406-Q410 WeakPolarHBondContact O-CG 3.45Å; M406-Q410 PolarHBondContact O-N 2.84Å
407A56.4Low66.3Low41 Ų4171.8 Ų71.834%0.33937%0.366SS..Hα-helixtrans-64-33.7176.400000112.7P403 T411P403-A407 WeakPolarHBondContact O-CB 3.45Å; P403-A407 PolarHBondContact O-N 3.44Å; A407-T411 VanDerWaalsContact O-CB 3.25Å; A407-T411 WeakPolarHBondContact O-CB 3.39Å; A407-T411 PolarHBondContact O-N 3Å; A407-T411 PolarHBondContact O-OG1 2.67Å
408L63.7Low64.9Low97 Ų9772.7 Ų72.751%0.50837%0.372SS..Hα-helixtrans-66.6-42.2173.1179.662.8000111.7H404 F405 M406 T411 H412H404-L408 VanDerWaalsContact O-CB 3.27Å; H404-L408 WeakPolarHBondContact O-CB 3.47Å; H404-L408 PolarHBondContact O-N 3.34Å; F405-L408 PolarHBondContact O-N 3.16Å; M406-L408 VanDerWaalsContact C-N 3.31Å; M406-L408 PolarHBondContact O-N 2.81Å; L408-T411 PolarHBondContact O-N 2.77Å; L408-H412 VanDerWaalsContact O-CB 3.31Å; L408-H412 WeakPolarHBondContact O-CB 3.46Å; L408-H412 PolarHBondContact O-N 3.12Å
409L66Low63.2Low32 Ų3270.3 Ų70.317%0.16837%0.372CS..Hα-helixtrans-67.1-40.5175.6-64.2168.9000111.6A373 V374 A377 F405 M406 H412 D413A373-L409 HydrophobicContact CB-CB 4.49Å; A373-L409 HydrophobicContact CB-CD2 3.85Å; V374-L409 VanDerWaalsContact CG2-C 3.49Å; V374-L409 HydrophobicContact CG2-CB 3.91Å; A377-L409 HydrophobicContact CB-CD1 3.74Å; F405-L409 HydrophobicContact CD1-CD1 3.84Å; F405-L409 HydrophobicContact CD1-CG 4.27Å; F405-L409 HydrophobicContact CE1-CD1 3.93Å; F405-L409 HydrophobicContact CE1-CD2 4.42Å; F405-L409 HydrophobicContact CE1-CG 4.28Å; F405-L409 WeakPolarHBondContact O-CG 3.26Å; F405-L409 PolarHBondContact O-N 3.3Å; M406-L409 PolarHBondContact O-N 2.68Å; L409-H412 WeakPolarHBondContact O-CB 3.42Å; L409-H412 PolarHBondContact O-N 3.07Å; L409-D413 PolarHBondContact O-N 3.24Å
410Q60.4Low61.6Low87 Ų8774 Ų7441%0.40738%0.383SS..Hα-helixtrans-63.4-45173.6-72.7169.2-33.800111.5V374 M406 H412 D413 V414V374-Q410 HydrophobicContact CG1-CG 4.44Å; V374-Q410 HydrophobicContact CG2-CB 4.14Å; V374-Q410 HydrophobicContact CG2-CG 3.52Å; M406-Q410 WeakPolarHBondContact O-CB 3.43Å; M406-Q410 WeakPolarHBondContact O-CG 3.45Å; M406-Q410 PolarHBondContact O-N 2.84Å; Q410-H412 VanDerWaalsContact C-N 3.33Å; Q410-H412 PolarHBondContact O-N 3.39Å; Q410-D413 PolarHBondContact O-N 3.2Å; Q410-V414 WeakPolarHBondContact O-CB 3.49Å; Q410-V414 WeakPolarHBondContact O-CG2 3.32Å; Q410-V414 PolarHBondContact O-N 2.82Å
411T57.1Low60.5Low83 Ų8374.3 Ų74.351%0.50939%0.387SS..Hα-helixtrans-65.7-37.8176.8-55.80000111.2A407 L408 V415A407-T411 VanDerWaalsContact O-CB 3.25Å; A407-T411 WeakPolarHBondContact O-CB 3.39Å; A407-T411 PolarHBondContact O-N 3Å; A407-T411 PolarHBondContact O-OG1 2.67Å; L408-T411 PolarHBondContact O-N 2.77Å; T411-V415 HydrophobicContact CG2-CG2 4.27Å; T411-V415 VanDerWaalsContact O-CB 3.28Å; T411-V415 WeakPolarHBondContact O-CB 3.33Å; T411-V415 VanDerWaalsContact O-CG2 3.25Å; T411-V415 WeakPolarHBondContact O-CG2 3.11Å; T411-V415 PolarHBondContact O-N 2.73Å
412H71.5Confident58.9Low82 Ų8275.1 Ų75.138%0.3839%0.389SS..Hα-helixtrans-57.6-52.5171.6169.4-85.4000110.7P370 L408 L409 Q410 V414 V415 A416P370-H412 PolarHBondContact O-CE1 3.05Å; P370-H412 VanDerWaalsContact O-CE1 3.26Å; L408-H412 VanDerWaalsContact O-CB 3.31Å; L408-H412 WeakPolarHBondContact O-CB 3.46Å; L408-H412 PolarHBondContact O-N 3.12Å; L409-H412 WeakPolarHBondContact O-CB 3.42Å; L409-H412 PolarHBondContact O-N 3.07Å; Q410-H412 VanDerWaalsContact C-N 3.33Å; Q410-H412 PolarHBondContact O-N 3.39Å; H412-V414 PolarHBondContact O-N 2.86Å; H412-V415 PolarHBondContact O-N 2.78Å; H412-A416 WeakPolarHBondContact O-CB 3.36Å; H412-A416 PolarHBondContact O-N 3.1Å
413D69Low57.3Low17 Ų1778.4 Ų78.49%0.09141%0.405CS..Hα-helixtrans-67.1-38.3-176-69.1-10.2000112.2S371 D372 A373 V374 L409 Q410 A416 H417S371-D413 WeakPolarHBondContact CB-O 3.42Å; D372-D413 PolarHBondContact N-OD1 3.05Å; A373-D413 WeakPolarHBondContact CB-OD1 3.26Å; A373-D413 VanDerWaalsContact N-CG 3.3Å; A373-D413 PolarHBondContact N-OD1 2.97Å; A373-D413 PolarHBondContact N-OD2 2.98Å; V374-D413 WeakPolarHBondContact CB-OD2 3.44Å; V374-D413 WeakPolarHBondContact CG2-OD2 3.28Å; V374-D413 PolarHBondContact N-OD2 3.12Å; L409-D413 PolarHBondContact O-N 3.24Å; Q410-D413 PolarHBondContact O-N 3.2Å; D413-A416 PolarHBondContact O-N 3.19Å; D413-H417 VanDerWaalsContact O-CB 3.22Å; D413-H417 WeakPolarHBondContact O-CB 3.47Å; D413-H417 PolarHBondContact O-N 2.89Å
414V57.4Low56.6Low53 Ų5375.9 Ų75.932%0.32139%0.391SS..Hα-helixtrans-65.4-43.7173.61710000111.5Q410 H412 H417 E418Q410-V414 WeakPolarHBondContact O-CB 3.49Å; Q410-V414 WeakPolarHBondContact O-CG2 3.32Å; Q410-V414 PolarHBondContact O-N 2.82Å; H412-V414 PolarHBondContact O-N 2.86Å; V414-H417 PolarHBondContact O-N 3.18Å; V414-E418 HydrophobicContact CG1-CG 4.27Å; V414-E418 WeakPolarHBondContact O-CB 3.05Å; V414-E418 PolarHBondContact O-N 2.62Å
415V54.1Low55.7Low58 Ų5874.4 Ų74.435%0.35239%0.388SS..Hα-helixtrans-69.6-38177.3168.80000111.3T411 H412 H417 V419 Y420T411-V415 HydrophobicContact CG2-CG2 4.27Å; T411-V415 VanDerWaalsContact O-CB 3.28Å; T411-V415 WeakPolarHBondContact O-CB 3.33Å; T411-V415 VanDerWaalsContact O-CG2 3.25Å; T411-V415 WeakPolarHBondContact O-CG2 3.11Å; T411-V415 PolarHBondContact O-N 2.73Å; H412-V415 PolarHBondContact O-N 2.78Å; V415-H417 VanDerWaalsContact C-N 3.28Å; V415-H417 PolarHBondContact O-N 2.61Å; V415-V419 HydrophobicContact CG1-CB 4.28Å; V415-V419 HydrophobicContact CG1-CG2 4.36Å; V415-V419 WeakPolarHBondContact O-CA 3.31Å; V415-V419 VanDerWaalsContact O-CB 3.31Å; V415-V419 WeakPolarHBondContact O-CB 3.4Å; V415-V419 PolarHBondContact O-N 3.4Å; V415-Y420 HydrophobicContact CG1-CD2 3.73Å; V415-Y420 HydrophobicContact CG1-CE2 3.62Å; V415-Y420 WeakPolarHBondContact O-CD2 3.28Å; V415-Y420 PolarHBondContact O-N 2.73Å
416A61.3Low54.3Low1 Ų182.1 Ų82.11%0.00842%0.415CS..Hα-helixtrans-60-38.9172.600000111.9P369 H412 D413 Y420 S421P369-A416 HydrophobicContact CB-CB 3.74Å; P369-A416 HydrophobicContact CG-CB 4.1Å; H412-A416 WeakPolarHBondContact O-CB 3.36Å; H412-A416 PolarHBondContact O-N 3.1Å; D413-A416 PolarHBondContact O-N 3.19Å; A416-Y420 CarbonylContact O-C 3.48Å; A416-Y420 VanDerWaalsContact O-C 3.25Å; A416-S421 WeakPolarHBondContact O-CB 3.35Å; A416-S421 PolarHBondContact O-N 2.79Å
417H60Low52.7Low85 Ų8582.2 Ų82.239%0.39442%0.42SS..Hα-helixtrans-80.3-58.9179.3-170.158.8000112.8D413 V414 V415 S421 E423D413-H417 VanDerWaalsContact O-CB 3.22Å; D413-H417 WeakPolarHBondContact O-CB 3.47Å; D413-H417 PolarHBondContact O-N 2.89Å; V414-H417 PolarHBondContact O-N 3.18Å; V415-H417 VanDerWaalsContact C-N 3.28Å; V415-H417 PolarHBondContact O-N 2.61Å; H417-S421 WeakPolarHBondContact O-CB 3.35Å; H417-S421 PolarHBondContact O-OG 3.42Å; H417-E423 IonicContact CE1-OE2 3.63Å; H417-E423 PolarHBondContact CE1-OE2 3.47Å; H417-E423 IonicContact ND1-OE2 3.77Å
418E53.7Low51.5Low120 Ų12085.9 Ų85.956%0.56144%0.438SS*.Hα-helixtrans-79.4-22-171.8-63.7-162.4147.300114.9V414 A424V414-E418 HydrophobicContact CG1-CG 4.27Å; V414-E418 WeakPolarHBondContact O-CB 3.05Å; V414-E418 PolarHBondContact O-N 2.62Å; E418-A424 WeakPolarHBondContact O-CA 3.31Å; E418-A424 WeakPolarHBondContact O-CB 3.31Å
419V46.4Very low49.9Very low85 Ų8585 Ų8552%0.51544%0.438SS..THydrogen-bonded Turntrans-114.1-29.7-175-169.70000112.8V415V415-V419 HydrophobicContact CG1-CB 4.28Å; V415-V419 HydrophobicContact CG1-CG2 4.36Å; V415-V419 WeakPolarHBondContact O-CA 3.31Å; V415-V419 VanDerWaalsContact O-CB 3.31Å; V415-V419 WeakPolarHBondContact O-CB 3.4Å; V415-V419 PolarHBondContact O-N 3.4Å
420Y46Very low48Very low132 Ų13287.2 Ų87.252%0.51846%0.455SS..THydrogen-bonded Turntrans-127.46.1-171.6-63.5-71.5000115.9N368 V415 A416N368-Y420 WeakPolarHBondContact CB-O 3.37Å; N368-Y420 PolarHBondContact OD1-O 3.13Å; V415-Y420 HydrophobicContact CG1-CD2 3.73Å; V415-Y420 HydrophobicContact CG1-CE2 3.62Å; V415-Y420 WeakPolarHBondContact O-CD2 3.28Å; V415-Y420 PolarHBondContact O-N 2.73Å; A416-Y420 CarbonylContact O-C 3.48Å; A416-Y420 VanDerWaalsContact O-C 3.25Å
421S52.6Low46.4Very low26 Ų2687.7 Ų87.718%0.18247%0.465CS..SBendtrans-91.3173.1172860000112.2A416 H417 E423 A424A416-S421 WeakPolarHBondContact O-CB 3.35Å; A416-S421 PolarHBondContact O-N 2.79Å; H417-S421 WeakPolarHBondContact O-CB 3.35Å; H417-S421 PolarHBondContact O-OG 3.42Å; S421-E423 PolarHBondContact O-N 3.32Å; S421-E423 VanDerWaalsContact O-N 3.14Å; S421-E423 PolarHBondContact OG-N 2.85Å; S421-E423 VanDerWaalsContact OG-N 3.08Å; S421-A424 WeakPolarHBondContact O-CB 3.42Å; S421-A424 PolarHBondContact O-N 3.47Å
422D45.5Very low44.9Very low88 Ų8890.4 Ų90.447%0.47148%0.482SS..THydrogen-bonded Turntrans-66-9.3174.1-71.24.4000112.4N368 K636N368-D422 PolarHBondContact ND2-N 3.19Å; N368-D422 PolarHBondContact ND2-OD1 2.84Å; D422-K636 IonicContact OD2-NZ 2.57Å; D422-K636 PolarHBondContact OD2-NZ 3.41Å
423E42.6Very low42.8Very low143 Ų14392 Ų9267%0.66850%0.502SS*.THydrogen-bonded Turntrans-104.21.8-176.9-58.3179.4144.100113.3H417 S421 L425H417-E423 IonicContact CE1-OE2 3.63Å; H417-E423 PolarHBondContact CE1-OE2 3.47Å; H417-E423 IonicContact ND1-OE2 3.77Å; S421-E423 PolarHBondContact O-N 3.32Å; S421-E423 VanDerWaalsContact O-N 3.14Å; S421-E423 PolarHBondContact OG-N 2.85Å; S421-E423 VanDerWaalsContact OG-N 3.08Å; E423-L425 PolarHBondContact O-N 2.96Å
424A38.8Very low41.1Very low40 Ų4094.9 Ų94.933%0.33152%0.522SS..  trans-65.695.2-173.900000114.5E418 S421E418-A424 WeakPolarHBondContact O-CA 3.31Å; E418-A424 WeakPolarHBondContact O-CB 3.31Å; S421-A424 WeakPolarHBondContact O-CB 3.42Å; S421-A424 PolarHBondContact O-N 3.47Å
425L39.1Very low39.6Very low132 Ų132101.6 Ų101.669%0.69154%0.543SS*.PPolyproline II helixtrans-83.8132.5-177.5-87.1166.6000114.2E423 V427E423-L425 PolarHBondContact O-N 2.96Å; L425-V427 PolarHBondContact O-N 3.06Å
426R34.1Very low38.5Very low244 Ų244104.1 Ų104.192%0.92155%0.554SS**PPolyproline II helixtrans-67.8125.6174-74.9179.2174.1157.3-0.4111.7T428R426-T428 PolarHBondContact O-N 2.96Å
427V31.3Very low37Very low80 Ų80110.8 Ų110.849%0.48559%0.59SS.*PPolyproline II helixtrans-58.5122.2-174.1-155.60000113.9A285 L425A285-V427 HydrophobicContact CB-CG1 4.01Å; L425-V427 PolarHBondContact O-N 3.06Å
428T30.2Very low35.5Very low118 Ų118110.2 Ų110.272%0.72461%0.606SS**  -176156.6104.8280000113.2R426R426-T428 PolarHBondContact O-N 2.96Å
429P31.4Very low34.2Very low78 Ų78110.8 Ų110.851%0.50661%0.613SS.*  trans-119.6176.8-151.742-28.8000116.2
430P26.7Very low33.4Very low79 Ų79111.7 Ų111.751%0.51362%0.623SS.*  trans-89.1172.2-168.136.2-37.4000115.7
431P25.5Very low33Very low97 Ų97110.6 Ų110.663%0.6363%0.633SS**  trans-92156.9-177.436.5-35.9000115.4
432T26.5Very low31.8Very low141 Ų141118 Ų11887%0.86566%0.664SS**  trans-142.2154.7163.644.40000111
433S26.3Very low30.8Very low115 Ų115120.2 Ų120.280%0.80469%0.686SS**  trans-165.9172.2-176.660.40000110.6
434P33.1Very low30.2Very low78 Ų78117.4 Ų117.451%0.50669%0.688SS.*  -130.5-159.4-81.838.1-18.3000113.6M60M60-P434 HydrophobicContact CE-CB 4.46Å
435Y27.5Very low29.8Very low193 Ų193123.7 Ų123.776%0.75772%0.716SS**  trans-104.1-161-179.5-60.2-98.3000110.7
436L30.8Very low29.2Very low112 Ų112121.1 Ų121.159%0.58672%0.722SS**  cis-152.4152.213.4-68.685000112.3
437N28.7Very low29.4Very low141 Ų141117.5 Ų117.575%0.75472%0.72SS**  trans58.2168.2145.6-58.912.2000119.7
438G28.3Very low29.1Very low72 Ų72122.6 Ų122.674%0.74274%0.741SS**  cis-174.5-1590.900000109.5
439D26.5Very low29.7Very low133 Ų133124.8 Ų124.871%0.71175%0.748SS**  cis-169.7155.8-8.8-149.6-69.2000111.7
440S29.6Very low29.5Very low104 Ų104130 Ų13073%0.72777%0.768SS**  trans58.7163.8159.1-72.40000121.9
441P37.4Very low29.8Very low109 Ų109134.8 Ų134.871%0.70878%0.784SS**  cis-133.4-179.95.744.2-27.6000117.9
442E27.4Very low30.2Very low181 Ų181137.9 Ų137.985%0.84680%0.795SS**  trans54.2112.3152.1-77.1180-158.700123.4
443S24.8Very low30.6Very low134 Ų134137.2 Ų137.294%0.93779%0.79SS**  -177.8170.1121.6-820000112
444A30.8Very low31.8Very low85 Ų85136.8 Ų136.870%0.70278%0.783SS**  trans-114.9160.8-163.800000116.5
445N29Very low32.8Very low171 Ų171142.4 Ų142.491%0.91479%0.794SS**  trans70.2133.7163.5-58.7-16000119.4
446G27.1Very low34.9Very low79 Ų79136.5 Ų136.581%0.81478%0.778SS**  trans138.7112.3153.900000115.3
447D37.6Very low37.4Very low167 Ų167135.4 Ų135.489%0.89377%0.766SS**  trans-73.6135.2162-62.8-63.5000110.6
448M26.8Very low39.9Very low188 Ų188134.7 Ų134.793%0.92676%0.762SS**  trans-176.8152.1138.2-106.6179.217700111.9
449D41.2Very low42.6Very low163 Ų163131.7 Ų131.787%0.87273%0.729SS**  trans-64.6147.2179.5-55.7-77.2000113.4
450M27.3Very low45.3Very low187 Ų187131.7 Ų131.792%0.92173%0.725SS**  trans-146.8140.5164.9-102.6-160.715900113.3
451E33.6Very low47.9Very low181 Ų181127.1 Ų127.185%0.84669%0.692SS**  trans-75.3154.9177.7-58.8174.9123.400112.5V453E451-V453 PolarHBondContact O-N 3.37Å
452N33.6Very low49.9Very low161 Ų161127.8 Ų127.886%0.86169%0.685SS**  trans-70.391-177.5-84.6-44.3000113.6T454N452-T454 PolarHBondContact O-N 3.31Å
453V35.8Very low52.4Low127 Ų127119.4 Ų119.477%0.7765%0.646SS**  trans-72.295.4172.7-176.70000111.2E451 R455E451-V453 PolarHBondContact O-N 3.37Å; V453-R455 PolarHBondContact O-N 3.41Å
454T50.3Low54.7Low106 Ų106118.1 Ų118.165%0.6563%0.629SS**  trans-69.4112.8173.138.30000111.2N452 V456N452-T454 PolarHBondContact O-N 3.31Å; T454-V456 PolarHBondContact O-N 3.11Å
455R54.5Low56.6Low196 Ų196117.6 Ų117.674%0.7462%0.617SS**  trans-73.3117.2178.5-78.3-177.7171167.9-1.7111.4V453V453-R455 PolarHBondContact O-N 3.41Å
456V72.6Confident58.5Low70 Ų70115.7 Ų115.742%0.42461%0.607SS.*  trans-98.8135.4179.4177.10000110.5T454 K534 I535 V536T454-V456 PolarHBondContact O-N 3.11Å; V456-K534 HydrophobicContact CG1-CD 4.13Å; V456-K534 HydrophobicContact CG1-CG 3.27Å; V456-I535 CarbonylContact C-O 3.57Å; V456-I535 WeakPolarHBondContact CA-O 3.44Å; V456-I535 WeakPolarHBondContact CG1-O 3.34Å; V456-V536 HydrophobicContact CG2-CG2 4.42Å
457R82.6Confident60.7Low88 Ų88114.4 Ų114.433%0.33258%0.58SS.*EExtended strand (participates in β ladder)trans-106.6133.6177.2-177.9170.170.3148.53.8110.3V459 T497 D502 I535 P537R457-V459 HydrophobicContact CG-CG2 3.98Å; R457-T497 PolarHBondContact NH2-O 2.89Å; R457-D502 IonicContact NH2-OD2 3.29Å; R457-D502 PolarHBondContact NH2-OD2 2.81Å; R457-I535 HydrophobicContact CB-CG1 4.04Å; R457-I535 PolarHBondContact N-O 3.44Å; R457-I535 WeakPolarHBondContact O-CG1 3.48Å; R457-I535 PolarHBondContact O-N 3.36Å; R457-P537 HydrophobicContact CB-CG 3.77Å
458L81Confident62.4Low126 Ų126110.9 Ų110.966%0.6657%0.566SS**EExtended strand (participates in β ladder)trans-90.8129.4166-69.7169.2000109T532 F533 K534L458-T532 HydrophobicContact CD2-CG2 4.09Å; L458-F533 CarbonylContact C-O 3.59Å; L458-F533 WeakPolarHBondContact CA-O 3.1Å; L458-K534 HydrophobicContact CD2-CB 3.81Å; L458-K534 HydrophobicContact CD2-CG 3.98Å
459V85.1Confident64.8Low9 Ų9102.5 Ų102.56%0.05553%0.525CS..EExtended strand (participates in β ladder)trans-123.4119179.7177.50000108.2R457 F461 T497 L498 T532 F533 I535R457-V459 HydrophobicContact CG-CG2 3.98Å; V459-F461 HydrophobicContact CG1-CD1 4.4Å; V459-T497 HydrophobicContact CG1-CG2 4.31Å; V459-T497 WeakPolarHBondContact CG1-O 3.36Å; V459-L498 HydrophobicContact CB-CD2 4.12Å; V459-L498 HydrophobicContact CG1-CD2 3.87Å; V459-L498 HydrophobicContact CG1-CG 4.29Å; V459-L498 HydrophobicContact CG2-CD2 4.16Å; V459-T532 CarbonylContact O-C 3.48Å; V459-T532 WeakPolarHBondContact O-CA 3.33Å; V459-F533 PolarHBondContact N-O 3.36Å; V459-F533 PolarHBondContact O-N 2.73Å; V459-I535 HydrophobicContact CG2-CD1 3.74Å; V459-I535 HydrophobicContact CG2-CG1 4.05Å
460Q82.8Confident66.7Low133 Ų13395.3 Ų95.362%0.62149%0.489SS*.EExtended strand (participates in β ladder)trans-119.6133.4-174.9-173178.6300110.7S530 I531 T532Q460-S530 PolarHBondContact NE2-OG 2.83Å; Q460-I531 WeakPolarHBondContact CA-O 3.47Å; Q460-T532 HydrophobicContact CB-CG2 4.49Å
461F83.8Confident69.4Low8 Ų887.8 Ų87.84%0.03545%0.452CS..EExtended strand (participates in β ladder)trans-143.6153.317850.5-88.8000110.9V459 M469 M491 I492 Q495 I531 F533V459-F461 HydrophobicContact CG1-CD1 4.4Å; F461-M469 HydrophobicContact CE1-CE 4.31Å; F461-M469 HydrophobicContact CE2-CE 3.49Å; F461-M469 VanDerWaalsContact CE2-CE 3.49Å; F461-M469 HydrophobicContact CE2-SD 4.04Å; F461-M469 HydrophobicContact CZ-CE 3.32Å; F461-M469 HydrophobicContact CZ-SD 4.29Å; F461-M491 HydrophobicContact CD2-CE 3.5Å; F461-M491 VanDerWaalsContact CD2-CE 3.5Å; F461-M491 HydrophobicContact CE2-CE 3.86Å; F461-M491 HydrophobicContact CG-CE 4.37Å; F461-I492 HydrophobicContact CD1-CD1 4.12Å; F461-I492 HydrophobicContact CD2-CD1 4.32Å; F461-I492 HydrophobicContact CE1-CD1 4.22Å; F461-I492 HydrophobicContact CE2-CD1 4.4Å; F461-I492 HydrophobicContact CG-CD1 4.19Å; F461-I492 HydrophobicContact CZ-CD1 4.37Å; F461-Q495 VanDerWaalsContact CB-OE1 3.31Å; F461-I531 HydrophobicContact CD2-CB 4.15Å; F461-I531 HydrophobicContact CE1-CG2 4.35Å; F461-I531 HydrophobicContact CE2-CB 3.6Å; F461-I531 HydrophobicContact CE2-CD1 4.09Å; F461-I531 HydrophobicContact CE2-CG1 4.36Å; F461-I531 HydrophobicContact CE2-CG2 3.81Å; F461-I531 HydrophobicContact CZ-CB 3.84Å; F461-I531 HydrophobicContact CZ-CG2 3.55Å; F461-I531 PolarHBondContact N-O 2.86Å; F461-I531 PolarHBondContact O-N 2.85Å; F461-F533 HydrophobicContact CE1-CD1 4.07Å; F461-F533 HydrophobicContact CE1-CD2 4.37Å; F461-F533 HydrophobicContact CE1-CE1 4.2Å; F461-F533 HydrophobicContact CE1-CE2 4.5Å; F461-F533 HydrophobicContact CE1-CG 4.16Å; F461-F533 HydrophobicContact CE1-CZ 4.43Å; F461-F533 HydrophobicContact CZ-CD1 4.01Å; F461-F533 AromaticContact CZ-CE1 3.71Å; F461-F533 HydrophobicContact CZ-CE1 3.71Å; F461-F533 HydrophobicContact CZ-CE2 4.39Å; F461-F533 HydrophobicContact CZ-CG 4.48Å; F461-F533 AromaticContact CZ-CZ 3.93Å; F461-F533 HydrophobicContact CZ-CZ 3.93Å
462Q79.8Confident71.7Confident123 Ų12379.9 Ų79.958%0.57542%0.416SS*.EExtended strand (participates in β ladder)trans-96.3125.4173.2-74.4-162.7-2.200111.3N464 G529Q462-N464 PolarHBondContact OE1-ND2 2.77Å; Q462-G529 WeakPolarHBondContact CA-O 3.28Å
463K81.5Confident74.1Confident6 Ų673 Ų733%0.02638%0.379CS..EExtended strand (participates in β ladder)trans-107.486.9171-174.6-174.3165.6-149.30109.2M469 M491 L524 R525 M527 R528 G529 I531K463-M469 HydrophobicContact CD-CG 4.31Å; K463-M491 HydrophobicContact CB-SD 4.29Å; K463-M491 HydrophobicContact CG-SD 4.28Å; K463-L524 PolarHBondContact NZ-O 2.82Å; K463-R525 PolarHBondContact NZ-O 2.81Å; K463-R525 VanDerWaalsContact NZ-O 3.14Å; K463-M527 PolarHBondContact NZ-O 3.08Å; K463-R528 WeakPolarHBondContact O-CA 3.48Å; K463-G529 PolarHBondContact N-O 2.68Å; K463-G529 PolarHBondContact O-N 2.76Å; K463-I531 HydrophobicContact CB-CD1 3.87Å; K463-I531 HydrophobicContact CD-CD1 3.92Å
464N72.1Confident76.4Confident107 Ų10772.5 Ų72.557%0.57237%0.367SS*.  trans-95.44.2-175.8-62-17.6000113.3Q462Q462-N464 PolarHBondContact OE1-ND2 2.77Å
465T70.1Confident77.8Confident73 Ų7369.8 Ų69.845%0.44835%0.347SS..SBendtrans-130.2166.1-178.3540000110.7E467T465-E467 PolarHBondContact O-N 2.87Å; T465-E467 WeakPolarHBondContact OG1-CB 3.27Å
466D69.3Low78.7Confident132 Ų13262.5 Ų62.571%0.70632%0.323SS*.SBendtrans-79.96.5170.1-59.3-32.8000112.8R528D466-R528 IonicContact OD1-CZ 2.64Å; D466-R528 IonicContact OD1-NE 2.7Å; D466-R528 PolarHBondContact OD1-NE 3.42Å; D466-R528 IonicContact OD1-NH2 2.65Å; D466-R528 PolarHBondContact OD1-NH2 3.43Å
467E73.3Confident78.6Confident51 Ų5168.6 Ų68.624%0.23835%0.347CS..  trans-60.1135176.3-165-168.3141.500110.2T465 M491 R494T465-E467 PolarHBondContact O-N 2.87Å; T465-E467 WeakPolarHBondContact OG1-CB 3.27Å; E467-M491 PolarHBondContact OE1-N 3.33Å; E467-R494 IonicContact OE1-CZ 3.38Å; E467-R494 IonicContact OE1-NH2 2.72Å; E467-R494 PolarHBondContact OE1-NH2 3.42Å; E467-R494 IonicContact OE2-CZ 3.12Å; E467-R494 IonicContact OE2-NH2 3.68Å; E467-R494 PolarHBondContact OE2-NH2 3.26Å
468P73.9Confident78.2Confident93 Ų9370.3 Ų70.360%0.60436%0.362SS*.  trans-63.4144.5169.128.3-34.9000110G470P468-G470 PolarHBondContact O-N 3.45Å
469M77.8Confident77.8Confident13 Ų1370 Ų706%0.06436%0.361CS..  trans-62.6-15.6-175.5-6817449.100114.3F461 K463 I471 M491 I492 L524 F533F461-M469 HydrophobicContact CE1-CE 4.31Å; F461-M469 HydrophobicContact CE2-CE 3.49Å; F461-M469 VanDerWaalsContact CE2-CE 3.49Å; F461-M469 HydrophobicContact CE2-SD 4.04Å; F461-M469 HydrophobicContact CZ-CE 3.32Å; F461-M469 HydrophobicContact CZ-SD 4.29Å; K463-M469 HydrophobicContact CD-CG 4.31Å; M469-I471 HydrophobicContact CB-CG1 4.35Å; M469-I471 HydrophobicContact CE-CD1 3.86Å; M469-I471 HydrophobicContact CE-CG1 4.47Å; M469-M491 HydrophobicContact CB-CE 4.24Å; M469-M491 HydrophobicContact CG-CE 3.81Å; M469-I492 HydrophobicContact CB-CG1 4.14Å; M469-I492 HydrophobicContact CE-CD1 4.12Å; M469-I492 HydrophobicContact CE-CG1 4.07Å; M469-I492 WeakPolarHBondContact O-CB 3.44Å; M469-I492 WeakPolarHBondContact O-CG1 3.34Å; M469-I492 PolarHBondContact O-N 3.14Å; M469-L524 HydrophobicContact CE-CD2 4.48Å; M469-L524 HydrophobicContact SD-CB 4.34Å; M469-L524 HydrophobicContact SD-CD2 3.89Å; M469-F533 HydrophobicContact CE-CE1 4.48Å; M469-F533 HydrophobicContact CE-CE2 4.25Å; M469-F533 HydrophobicContact CE-CZ 3.75Å
470G81Confident77.6Confident11 Ų1172 Ų7211%0.11337%0.369CS..SBendtrans74.935.5-177.500000113.2P468 I486 M487P468-G470 PolarHBondContact O-N 3.45Å; G470-I486 CarbonylContact O-C 3.42Å; G470-I486 WeakPolarHBondContact O-CA 3.32Å; G470-M487 PolarHBondContact O-N 2.65Å
471I83.9Confident77.7Confident29 Ų2965.7 Ų65.715%0.14934%0.34CS..EExtended strand (participates in β ladder)trans-131.3152.8172.366.1176.1000110.4M469 L473 R485 I486 I492 L498 F533M469-I471 HydrophobicContact CB-CG1 4.35Å; M469-I471 HydrophobicContact CE-CD1 3.86Å; M469-I471 HydrophobicContact CE-CG1 4.47Å; I471-L473 HydrophobicContact CD1-CD2 4.09Å; I471-R485 CarbonylContact C-O 3.55Å; I471-R485 VanDerWaalsContact CA-O 3.27Å; I471-R485 WeakPolarHBondContact CA-O 3.38Å; I471-I486 HydrophobicContact CG2-CG1 4.16Å; I471-I492 HydrophobicContact CG2-CB 3.78Å; I471-I492 HydrophobicContact CG2-CG1 3.94Å; I471-I492 HydrophobicContact CG2-CG2 3.78Å; I471-L498 HydrophobicContact CD1-CD1 4.27Å; I471-F533 HydrophobicContact CD1-CE2 4.27Å
472T81.6Confident77.8Confident16 Ų1666.6 Ų66.610%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-114.3153.6161.871.80000110.1A484 R485 C578T472-A484 PolarHBondContact O-N 3.24Å; T472-R485 PolarHBondContact N-O 3.05Å; T472-R485 PolarHBondContact O-N 3.18Å; T472-R485 VanDerWaalsContact OG1-CB 3.31Å; T472-R485 WeakPolarHBondContact OG1-CB 3.24Å; T472-R485 PolarHBondContact OG1-N 3.01Å; T472-C578 HydrophobicContact CG2-CB 4.33Å
473L83.9Confident78.1Confident15 Ų1560.8 Ų60.88%0.07932%0.318CS..EExtended strand (participates in β ladder)trans-120.4149.2-177.9-58.7178.8000109.3I471 I482 V483 I504 V517 L524I471-L473 HydrophobicContact CD1-CD2 4.09Å; L473-I482 WeakPolarHBondContact CA-O 3.37Å; L473-V483 HydrophobicContact CD2-CG2 4.2Å; L473-I504 HydrophobicContact CD2-CD1 3.62Å; L473-V517 HydrophobicContact CB-CG1 4.41Å; L473-L524 HydrophobicContact CD1-CD1 3.73Å
474K83.3Confident78Confident117 Ų11761.8 Ų61.851%0.50933%0.327SS..EExtended strand (participates in β ladder)trans-138.8161.5166.673.7179.8-170.3170.80110.2I482 A484K474-I482 HydrophobicContact CD-CD1 4.4Å; K474-I482 VanDerWaalsContact CE-CD1 3.48Å; K474-I482 HydrophobicContact CG-CD1 4.02Å; K474-I482 HydrophobicContact CG-CG1 3.76Å; K474-I482 PolarHBondContact N-O 3.39Å; K474-I482 WeakPolarHBondContact O-CG1 3.38Å; K474-I482 PolarHBondContact O-N 3.37Å; K474-A484 HydrophobicContact CB-CB 4.09Å; K474-A484 HydrophobicContact CD-CB 4.1Å; K474-A484 HydrophobicContact CG-CB 3.88Å
475M80.4Confident78.5Confident49 Ų4958.9 Ų58.924%0.24131%0.309CS..EExtended strand (participates in β ladder)trans-83.6149.7163.4-58.6-52-178.700110H480 C481 Q515 V517 L520M475-H480 CarbonylContact C-O 3.59Å; M475-H480 WeakPolarHBondContact CA-O 3.26Å; M475-C481 HydrophobicContact CE-CB 4.28Å; M475-C481 VanDerWaalsContact SD-CA 3.56Å; M475-C481 HydrophobicContact SD-CB 3.77Å; M475-Q515 WeakPolarHBondContact CE-O 3.41Å; M475-V517 HydrophobicContact CE-CG2 3.97Å; M475-V517 HydrophobicContact CG-CG2 4.03Å; M475-V517 HydrophobicContact SD-CG2 4.45Å; M475-L520 HydrophobicContact CE-CD1 3.71Å
476N73.6Confident79.1Confident43 Ų4356.8 Ų56.823%0.2329%0.294CS..  trans-90.3177.216371.17.3000110.7L478 N479 H480 I482N476-L478 PolarHBondContact O-N 2.74Å; N476-L478 VanDerWaalsContact O-N 3.11Å; N476-L478 WeakPolarHBondContact OD1-CA 3.47Å; N476-L478 PolarHBondContact OD1-N 2.93Å; N476-N479 PolarHBondContact O-N 3.1Å; N476-N479 PolarHBondContact OD1-N 3.26Å; N476-H480 PolarHBondContact N-O 3.36Å; N476-H480 PolarHBondContact OD1-N 3.22Å; N476-H480 PolarHBondContact OD1-O 3.44Å; N476-I482 HydrophobicContact CB-CD1 4.09Å
477E69.8Low79.7Confident198 Ų19851.1 Ų51.193%0.92526%0.264SS*.THydrogen-bonded Turntrans-61.1-17.2178.7-70.2138.2-134.200114
478L74.7Confident79.8Confident124 Ų12452.6 Ų52.665%0.64927%0.27SS*.THydrogen-bonded Turntrans-95.311.8175.5-54.9178.4000112.9N476 H480N476-L478 PolarHBondContact O-N 2.74Å; N476-L478 VanDerWaalsContact O-N 3.11Å; N476-L478 WeakPolarHBondContact OD1-CA 3.47Å; N476-L478 PolarHBondContact OD1-N 2.93Å; L478-H480 PolarHBondContact O-CD2 2.85Å; L478-H480 PolarHBondContact O-N 3.3Å
479N73.1Confident79.8Confident120 Ų12049.5 Ų49.564%0.64226%0.255SS*.SBendtrans57.522.2-174.4-67.2-55.2000115.1N476N476-N479 PolarHBondContact O-N 3.1Å; N476-N479 PolarHBondContact OD1-N 3.26Å
480H80.8Confident79.7Confident50 Ų5048.9 Ų48.923%0.23125%0.252CS..  trans-84.2139.4168.4-49.2160.1000110.4M475 N476 L478 E503 R505M475-H480 CarbonylContact C-O 3.59Å; M475-H480 WeakPolarHBondContact CA-O 3.26Å; N476-H480 PolarHBondContact N-O 3.36Å; N476-H480 PolarHBondContact OD1-N 3.22Å; N476-H480 PolarHBondContact OD1-O 3.44Å; L478-H480 PolarHBondContact O-CD2 2.85Å; L478-H480 PolarHBondContact O-N 3.3Å; H480-E503 HydrophobicContact CB-CG 3.82Å; H480-E503 WeakPolarHBondContact CB-OE2 3.44Å; H480-E503 IonicContact CE1-OE2 2.66Å; H480-E503 IonicContact CG-OE2 2.64Å; H480-E503 IonicContact ND1-OE1 2.6Å; H480-E503 IonicContact ND1-OE2 3.82Å; H480-E503 PolarHBondContact ND1-OE2 3.42Å; H480-R505 PolarHBondContact CE1-NH2 2.85Å; H480-R505 PolarHBondContact ND1-NH2 3.16Å; H480-R505 PolarHBondContact NE2-NH2 2.99Å
481C83.5Confident79.6Confident2 Ų248.9 Ų48.91%0.01425%0.25CC..EExtended strand (participates in β ladder)trans-78.6127.6175-172.70000110.9M475 E503 I504 V512 L520M475-C481 HydrophobicContact CE-CB 4.28Å; M475-C481 VanDerWaalsContact SD-CA 3.56Å; M475-C481 HydrophobicContact SD-CB 3.77Å; C481-E503 CarbonylContact O-C 3.6Å; C481-E503 WeakPolarHBondContact O-CA 3.29Å; C481-I504 PolarHBondContact O-N 3.34Å; C481-V512 HydrophobicContact CB-CG1 3.37Å; C481-L520 HydrophobicContact CB-CD1 4.36Å
482I87.1Confident79.6Confident26 Ų2647.6 Ų47.613%0.13324%0.243CC..EExtended strand (participates in β ladder)trans-127.9146.5178.751167.2000111.5L473 K474 N476 A484 D502 E503L473-I482 WeakPolarHBondContact CA-O 3.37Å; K474-I482 HydrophobicContact CD-CD1 4.4Å; K474-I482 VanDerWaalsContact CE-CD1 3.48Å; K474-I482 HydrophobicContact CG-CD1 4.02Å; K474-I482 HydrophobicContact CG-CG1 3.76Å; K474-I482 PolarHBondContact N-O 3.39Å; K474-I482 WeakPolarHBondContact O-CG1 3.38Å; K474-I482 PolarHBondContact O-N 3.37Å; N476-I482 HydrophobicContact CB-CD1 4.09Å; I482-A484 PolarHBondContact O-N 3.35Å; I482-D502 WeakPolarHBondContact CA-O 3.5Å; I482-E503 HydrophobicContact CG2-CB 3.8Å; I482-E503 HydrophobicContact CG2-CG 3.86Å
483V85.9Confident79.5Confident1 Ų150.5 Ų50.51%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-67.4112.1173.9178.40000109.3L473 I486 H499 G501 D502 I504L473-V483 HydrophobicContact CD2-CG2 4.2Å; V483-I486 HydrophobicContact CG1-CG1 4.11Å; V483-H499 WeakPolarHBondContact CB-O 3.38Å; V483-G501 PolarHBondContact O-N 3.44Å; V483-D502 HydrophobicContact CG2-CB 4.28Å; V483-D502 PolarHBondContact N-O 3.39Å; V483-I504 HydrophobicContact CG2-CD1 4.08Å; V483-I504 HydrophobicContact CG2-CG1 4.36Å
484A80.1Confident79.3Confident27 Ų2757 Ų5722%0.22328%0.279CS..EExtended strand (participates in β ladder)trans-88.4-33.9-173.600000113.4T472 K474 I482T472-A484 PolarHBondContact O-N 3.24Å; K474-A484 HydrophobicContact CB-CB 4.09Å; K474-A484 HydrophobicContact CD-CB 4.1Å; K474-A484 HydrophobicContact CG-CB 3.88Å; I482-A484 PolarHBondContact O-N 3.35Å
485R82.4Confident79Confident47 Ų4755.3 Ų55.318%0.17727%0.272CS..EExtended strand (participates in β ladder)trans-154.7152.9180-172.6166.7-63.9-63.9-19.3110.6I471 T472 M487 D598I471-R485 CarbonylContact C-O 3.55Å; I471-R485 VanDerWaalsContact CA-O 3.27Å; I471-R485 WeakPolarHBondContact CA-O 3.38Å; T472-R485 PolarHBondContact N-O 3.05Å; T472-R485 PolarHBondContact O-N 3.18Å; T472-R485 VanDerWaalsContact OG1-CB 3.31Å; T472-R485 WeakPolarHBondContact OG1-CB 3.24Å; T472-R485 PolarHBondContact OG1-N 3.01Å; R485-M487 HydrophobicContact CG-SD 4.08Å; R485-D598 IonicContact CZ-OD2 2.67Å; R485-D598 IonicContact NE-OD2 3.49Å; R485-D598 IonicContact NH2-OD2 3.56Å; R485-D598 PolarHBondContact NH2-OD2 3.3Å
486I83Confident78.7Confident28 Ų2855.4 Ų55.414%0.14429%0.286CS..EExtended strand (participates in β ladder)trans-119.3132.8167-56.3178.7000108G470 I471 V483 I492 H493 L498 V500 Q603G470-I486 CarbonylContact O-C 3.42Å; G470-I486 WeakPolarHBondContact O-CA 3.32Å; I471-I486 HydrophobicContact CG2-CG1 4.16Å; V483-I486 HydrophobicContact CG1-CG1 4.11Å; I486-I492 HydrophobicContact CD1-CG2 4.47Å; I486-H493 HydrophobicContact CG2-CB 3.82Å; I486-L498 WeakPolarHBondContact CD1-O 3.47Å; I486-V500 HydrophobicContact CD1-CG2 4.34Å; I486-V500 HydrophobicContact CG1-CG2 3.98Å; I486-Q603 PolarHBondContact O-NE2 3.45Å
487M80.8Confident78.9Confident13 Ų1354.9 Ų54.96%0.06429%0.285CS..  trans-91.4125.5-175.8-58.5-56.3-61.700110.3G470 R485 G489 G490 H493 Q603 A614 L616G470-M487 PolarHBondContact O-N 2.65Å; R485-M487 HydrophobicContact CG-SD 4.08Å; M487-G489 PolarHBondContact O-N 3.17Å; M487-G490 PolarHBondContact O-N 2.93Å; M487-H493 WeakPolarHBondContact O-CB 3.49Å; M487-Q603 HydrophobicContact CE-CG 4.49Å; M487-A614 VanDerWaalsContact CE-O 3.3Å; M487-A614 WeakPolarHBondContact CE-O 3.38Å; M487-L616 HydrophobicContact CE-CD2 3.79Å; M487-L616 HydrophobicContact CE-CG 4.1Å; M487-L616 HydrophobicContact SD-CD2 4.13Å
488H76.2Confident79.4Confident83 Ų8345.6 Ų45.638%0.38424%0.241SC..THydrogen-bonded Turntrans-63.7126-170.8-160.8-62000111.6G490 H493 I594 A614H488-G490 VanDerWaalsContact C-N 3.29Å; H488-G490 PolarHBondContact O-N 3.02Å; H488-H493 AromaticContact CD2-CE1 3.81Å; H488-H493 AromaticContact CD2-NE2 3.34Å; H488-H493 PolarHBondContact CD2-NE2 3.19Å; H488-H493 VanDerWaalsContact CD2-NE2 3.34Å; H488-H493 AromaticContact CE1-CE1 3.7Å; H488-H493 AromaticContact CG-CE1 3.94Å; H488-H493 AromaticContact CG-NE2 3.58Å; H488-H493 AromaticContact ND1-CE1 3.87Å; H488-H493 AromaticContact ND1-NE2 3.98Å; H488-H493 AromaticContact NE2-CE1 3.68Å; H488-H493 AromaticContact NE2-NE2 3.66Å; H488-I594 HydrophobicContact CB-CG2 3.74Å; H488-A614 HydrophobicContact CB-CB 4.07Å; H488-A614 WeakPolarHBondContact O-CB 2.98Å; H488-A614 PolarHBondContact O-N 2.87Å
489G72.2Confident79.8Confident27 Ų2742.2 Ų42.228%0.27822%0.222SC..THydrogen-bonded Turntrans78.9-3.7-175.200000116M487 R494M487-G489 PolarHBondContact O-N 3.17Å; G489-R494 WeakPolarHBondContact O-CD 3.39Å; G489-R494 PolarHBondContact O-NE 2.77Å
490G76.6Confident80.2Confident1 Ų140.6 Ų40.61%0.0122%0.216CC..SBendtrans-66.8167.3170.800000112.9M487 H488 I492 H493 R494M487-G490 PolarHBondContact O-N 2.93Å; H488-G490 VanDerWaalsContact C-N 3.29Å; H488-G490 PolarHBondContact O-N 3.02Å; G490-I492 PolarHBondContact O-N 3.37Å; G490-H493 WeakPolarHBondContact O-CB 3.25Å; G490-H493 PolarHBondContact O-N 3.1Å; G490-H493 VanDerWaalsContact O-N 3.1Å; G490-R494 PolarHBondContact O-N 3.36Å
491M79.2Confident80.1Confident11 Ų1139.6 Ų39.65%0.05422%0.22CC..THydrogen-bonded Turntrans-48.6-50.4-175.6-169.6-169.279.700114.3F461 K463 E467 M469 R494 Q495F461-M491 HydrophobicContact CD2-CE 3.5Å; F461-M491 VanDerWaalsContact CD2-CE 3.5Å; F461-M491 HydrophobicContact CE2-CE 3.86Å; F461-M491 HydrophobicContact CG-CE 4.37Å; K463-M491 HydrophobicContact CB-SD 4.29Å; K463-M491 HydrophobicContact CG-SD 4.28Å; E467-M491 PolarHBondContact OE1-N 3.33Å; M469-M491 HydrophobicContact CB-CE 4.24Å; M469-M491 HydrophobicContact CG-CE 3.81Å; M491-R494 PolarHBondContact O-N 3.27Å; M491-Q495 WeakPolarHBondContact O-CG 3.36Å; M491-Q495 PolarHBondContact O-N 3.4Å
492I83.1Confident80.1Confident1 Ų139.6 Ų39.61%0.00522%0.219CC..THydrogen-bonded Turntrans-69.4-37-179.3-67.6-65.2000111.9F461 M469 I471 I486 G490 R494 Q495 G496 L498F461-I492 HydrophobicContact CD1-CD1 4.12Å; F461-I492 HydrophobicContact CD2-CD1 4.32Å; F461-I492 HydrophobicContact CE1-CD1 4.22Å; F461-I492 HydrophobicContact CE2-CD1 4.4Å; F461-I492 HydrophobicContact CG-CD1 4.19Å; F461-I492 HydrophobicContact CZ-CD1 4.37Å; M469-I492 HydrophobicContact CB-CG1 4.14Å; M469-I492 HydrophobicContact CE-CD1 4.12Å; M469-I492 HydrophobicContact CE-CG1 4.07Å; M469-I492 WeakPolarHBondContact O-CB 3.44Å; M469-I492 WeakPolarHBondContact O-CG1 3.34Å; M469-I492 PolarHBondContact O-N 3.14Å; I471-I492 HydrophobicContact CG2-CB 3.78Å; I471-I492 HydrophobicContact CG2-CG1 3.94Å; I471-I492 HydrophobicContact CG2-CG2 3.78Å; I486-I492 HydrophobicContact CD1-CG2 4.47Å; G490-I492 PolarHBondContact O-N 3.37Å; I492-R494 VanDerWaalsContact C-N 3.27Å; I492-R494 PolarHBondContact O-N 3.14Å; I492-Q495 PolarHBondContact O-N 2.87Å; I492-G496 PolarHBondContact O-N 2.91Å; I492-L498 HydrophobicContact CD1-CD1 4.12Å; I492-L498 HydrophobicContact CG1-CD1 4.49Å; I492-L498 HydrophobicContact CG2-CB 3.93Å; I492-L498 HydrophobicContact CG2-CD1 4.31Å; I492-L498 HydrophobicContact CG2-CG 4.38Å
493H80.4Confident80.1Confident77 Ų7739.7 Ų39.736%0.35622%0.219SC..THydrogen-bonded Turntrans-61.9-36.3174.1-169.9-69.1000112.1I486 M487 H488 G490 Q495I486-H493 HydrophobicContact CG2-CB 3.82Å; M487-H493 WeakPolarHBondContact O-CB 3.49Å; H488-H493 AromaticContact CD2-CE1 3.81Å; H488-H493 AromaticContact CD2-NE2 3.34Å; H488-H493 PolarHBondContact CD2-NE2 3.19Å; H488-H493 VanDerWaalsContact CD2-NE2 3.34Å; H488-H493 AromaticContact CE1-CE1 3.7Å; H488-H493 AromaticContact CG-CE1 3.94Å; H488-H493 AromaticContact CG-NE2 3.58Å; H488-H493 AromaticContact ND1-CE1 3.87Å; H488-H493 AromaticContact ND1-NE2 3.98Å; H488-H493 AromaticContact NE2-CE1 3.68Å; H488-H493 AromaticContact NE2-NE2 3.66Å; G490-H493 WeakPolarHBondContact O-CB 3.25Å; G490-H493 PolarHBondContact O-N 3.1Å; G490-H493 VanDerWaalsContact O-N 3.1Å; H493-Q495 PolarHBondContact O-N 3.49Å
494R79.1Confident80.2Confident153 Ų15339.8 Ų39.858%0.57722%0.22SC*.THydrogen-bonded Turntrans-75.4-6.6175.7-72.1-175.3-77.8139.2-3.5113.8E467 G489 G490 M491 I492E467-R494 IonicContact OE1-CZ 3.38Å; E467-R494 IonicContact OE1-NH2 2.72Å; E467-R494 PolarHBondContact OE1-NH2 3.42Å; E467-R494 IonicContact OE2-CZ 3.12Å; E467-R494 IonicContact OE2-NH2 3.68Å; E467-R494 PolarHBondContact OE2-NH2 3.26Å; G489-R494 WeakPolarHBondContact O-CD 3.39Å; G489-R494 PolarHBondContact O-NE 2.77Å; G490-R494 PolarHBondContact O-N 3.36Å; M491-R494 PolarHBondContact O-N 3.27Å; I492-R494 VanDerWaalsContact C-N 3.27Å; I492-R494 PolarHBondContact O-N 3.14Å
495Q76.3Confident80.5Confident80 Ų8043.3 Ų43.337%0.37423%0.227SC..THydrogen-bonded Turntrans-115-19.7-178.3-71.1175.7-300113.8F461 M491 I492 H493 T497F461-Q495 VanDerWaalsContact CB-OE1 3.31Å; M491-Q495 WeakPolarHBondContact O-CG 3.36Å; M491-Q495 PolarHBondContact O-N 3.4Å; I492-Q495 PolarHBondContact O-N 2.87Å; H493-Q495 PolarHBondContact O-N 3.49Å; Q495-T497 HydrophobicContact CB-CG2 3.98Å; Q495-T497 PolarHBondContact O-N 2.85Å
496G75.6Confident80.8Confident51 Ų5143.7 Ų43.753%0.52623%0.231SC..THydrogen-bonded Turntrans63.718.9179.800000114.6I492I492-G496 PolarHBondContact O-N 2.91Å
497T76.6Confident81Confident33 Ų3342.4 Ų42.420%0.20223%0.225CC..  trans-84.6-26.8-166.6390000114.6R457 V459 Q495R457-T497 PolarHBondContact NH2-O 2.89Å; V459-T497 HydrophobicContact CG1-CG2 4.31Å; V459-T497 WeakPolarHBondContact CG1-O 3.36Å; Q495-T497 HydrophobicContact CB-CG2 3.98Å; Q495-T497 PolarHBondContact O-N 2.85Å
498L81.9Confident81.2Confident2 Ų245.1 Ų45.11%0.0124%0.239CC..  trans-129.6154.2179.5-60.7171.6000109.8V459 I471 I486 I492 F533 I535V459-L498 HydrophobicContact CB-CD2 4.12Å; V459-L498 HydrophobicContact CG1-CD2 3.87Å; V459-L498 HydrophobicContact CG1-CG 4.29Å; V459-L498 HydrophobicContact CG2-CD2 4.16Å; I471-L498 HydrophobicContact CD1-CD1 4.27Å; I486-L498 WeakPolarHBondContact CD1-O 3.47Å; I492-L498 HydrophobicContact CD1-CD1 4.12Å; I492-L498 HydrophobicContact CG1-CD1 4.49Å; I492-L498 HydrophobicContact CG2-CB 3.93Å; I492-L498 HydrophobicContact CG2-CD1 4.31Å; I492-L498 HydrophobicContact CG2-CG 4.38Å; L498-F533 HydrophobicContact CD1-CD2 3.66Å; L498-F533 HydrophobicContact CD1-CE2 3.62Å; L498-F533 HydrophobicContact CD2-CD2 4.05Å; L498-I535 HydrophobicContact CD2-CD1 3.95Å; L498-I535 HydrophobicContact CD2-CG2 4.28Å
499H82.1Confident81.3Confident54 Ų5444.1 Ų44.125%0.2525%0.251CS..  trans-124.8159.1178.4-51.7110.3000112.1V483 G501 D502 Q542V483-H499 WeakPolarHBondContact CB-O 3.38Å; H499-G501 PolarHBondContact O-N 3.34Å; H499-D502 PolarHBondContact N-OD2 2.94Å; H499-D502 IonicContact ND1-OD2 2.78Å; H499-D502 WeakPolarHBondContact O-CB 3.25Å; H499-D502 PolarHBondContact O-N 3.37Å; H499-D502 VanDerWaalsContact O-N 3.13Å; H499-Q542 PolarHBondContact CD2-NE2 2.9Å; H499-Q542 PolarHBondContact CE1-NE2 3.39Å; H499-Q542 VanDerWaalsContact CE1-NE2 3.26Å; H499-Q542 PolarHBondContact NE2-NE2 3.4Å
500V81.6Confident81.8Confident85 Ų8546.8 Ų46.852%0.51526%0.258SS..THydrogen-bonded Turntrans-65.6124.5173.7177.50000109.2I486 S538I486-V500 HydrophobicContact CD1-CG2 4.34Å; I486-V500 HydrophobicContact CG1-CG2 3.98Å; V500-S538 PolarHBondContact O-OG 3.22Å
501G78.5Confident82Confident30 Ų3049.9 Ų49.931%0.30928%0.28SS..THydrogen-bonded Turntrans100.7-14.5-173.400000114.9V483 H499 E503 S538V483-G501 PolarHBondContact O-N 3.44Å; H499-G501 PolarHBondContact O-N 3.34Å; G501-E503 PolarHBondContact O-N 2.83Å; G501-S538 VanDerWaalsContact C-CB 3.49Å
502D83.7Confident82.2Confident1 Ų149.6 Ų49.61%0.00528%0.278CS..  trans-58.8129.1175.9-80.6-14.1000110R457 I482 V483 H499 I535 P537 S538R457-D502 IonicContact NH2-OD2 3.29Å; R457-D502 PolarHBondContact NH2-OD2 2.81Å; I482-D502 WeakPolarHBondContact CA-O 3.5Å; V483-D502 HydrophobicContact CG2-CB 4.28Å; V483-D502 PolarHBondContact N-O 3.39Å; H499-D502 PolarHBondContact N-OD2 2.94Å; H499-D502 IonicContact ND1-OD2 2.78Å; H499-D502 WeakPolarHBondContact O-CB 3.25Å; H499-D502 PolarHBondContact O-N 3.37Å; H499-D502 VanDerWaalsContact O-N 3.13Å; D502-I535 HydrophobicContact CB-CD1 3.94Å; D502-I535 WeakPolarHBondContact OD2-CD1 3.48Å; D502-P537 VanDerWaalsContact OD1-CA 3.31Å; D502-P537 WeakPolarHBondContact OD1-CA 3.35Å; D502-S538 PolarHBondContact OD1-N 2.84Å; D502-S538 PolarHBondContact OD1-OG 2.96Å
503E87.3Confident81.8Confident29 Ų2952.2 Ų52.214%0.13630%0.301CS..EExtended strand (participates in β ladder)trans-96122.7-175.7-172.8-170.190.100110.9H480 C481 I482 G501 R505 I535 V536H480-E503 HydrophobicContact CB-CG 3.82Å; H480-E503 WeakPolarHBondContact CB-OE2 3.44Å; H480-E503 IonicContact CE1-OE2 2.66Å; H480-E503 IonicContact CG-OE2 2.64Å; H480-E503 IonicContact ND1-OE1 2.6Å; H480-E503 IonicContact ND1-OE2 3.82Å; H480-E503 PolarHBondContact ND1-OE2 3.42Å; C481-E503 CarbonylContact O-C 3.6Å; C481-E503 WeakPolarHBondContact O-CA 3.29Å; I482-E503 HydrophobicContact CG2-CB 3.8Å; I482-E503 HydrophobicContact CG2-CG 3.86Å; G501-E503 PolarHBondContact O-N 2.83Å; E503-R505 IonicContact OE1-CZ 3.17Å; E503-R505 IonicContact OE1-NE 3.46Å; E503-R505 PolarHBondContact OE1-NE 3.34Å; E503-R505 IonicContact OE1-NH2 2.69Å; E503-R505 PolarHBondContact OE1-NH2 3.48Å; E503-R505 IonicContact OE2-NH2 3.21Å; E503-I535 CarbonylContact O-C 3.58Å; E503-I535 WeakPolarHBondContact O-CA 3.46Å; E503-I535 VanDerWaalsContact O-CB 3.28Å; E503-I535 WeakPolarHBondContact O-CB 3.49Å; E503-V536 HydrophobicContact CB-CB 4.26Å; E503-V536 PolarHBondContact N-O 2.6Å; E503-V536 PolarHBondContact O-N 3.23Å
504I88.4Confident81.3Confident3 Ų356.4 Ų56.42%0.01533%0.326CS..EExtended strand (participates in β ladder)trans-96.1113.4-174.2-46.4174.3000109.9L473 C481 V483 I507 V512 F533 I535L473-I504 HydrophobicContact CD2-CD1 3.62Å; C481-I504 PolarHBondContact O-N 3.34Å; V483-I504 HydrophobicContact CG2-CD1 4.08Å; V483-I504 HydrophobicContact CG2-CG1 4.36Å; I504-I507 HydrophobicContact CG2-CD1 4.19Å; I504-I507 HydrophobicContact CG2-CG1 3.71Å; I504-V512 HydrophobicContact CG2-CG2 4.07Å; I504-F533 HydrophobicContact CD1-CD2 3.87Å; I504-F533 HydrophobicContact CD1-CE2 3.61Å; I504-F533 HydrophobicContact CD1-CZ 4.44Å; I504-F533 HydrophobicContact CG1-CD2 4.25Å; I504-F533 HydrophobicContact CG1-CE2 4.48Å; I504-F533 HydrophobicContact CG2-CB 4.5Å; I504-F533 HydrophobicContact CG2-CD2 4.19Å; I504-F533 HydrophobicContact CG2-CG 4.3Å; I504-I535 HydrophobicContact CB-CG2 4.46Å; I504-I535 HydrophobicContact CG1-CG2 4.15Å; I504-I535 HydrophobicContact CG2-CG2 4.43Å
505R86.3Confident81.2Confident101 Ų10151 Ų5138%0.38131%0.307SS..EExtended strand (participates in β ladder)trans-92.2-44.8179.7-70.9-75175.5161.4-6.5112.8H480 E503 V512 K534 V536H480-R505 PolarHBondContact CE1-NH2 2.85Å; H480-R505 PolarHBondContact ND1-NH2 3.16Å; H480-R505 PolarHBondContact NE2-NH2 2.99Å; E503-R505 IonicContact OE1-CZ 3.17Å; E503-R505 IonicContact OE1-NE 3.46Å; E503-R505 PolarHBondContact OE1-NE 3.34Å; E503-R505 IonicContact OE1-NH2 2.69Å; E503-R505 PolarHBondContact OE1-NH2 3.48Å; E503-R505 IonicContact OE2-NH2 3.21Å; R505-V512 WeakPolarHBondContact O-CB 3.41Å; R505-V512 PolarHBondContact O-N 2.95Å; R505-K534 PolarHBondContact N-O 2.97Å; R505-V536 HydrophobicContact CG-CG2 4.19Å
506E88.1Confident81.3Confident54 Ų5450 Ų5025%0.25231%0.306SS..EExtended strand (participates in β ladder)trans-136.7149.7176.1-68.2151.6-141.900111.2I510 K534E506-I510 CarbonylContact C-O 3.58Å; E506-I510 WeakPolarHBondContact CA-O 3.16Å; E506-I510 WeakPolarHBondContact CB-O 3.34Å; E506-K534 HydrophobicContact CB-CB 3.88Å; E506-K534 HydrophobicContact CB-CD 4.06Å; E506-K534 HydrophobicContact CG-CD 4.1Å; E506-K534 PolarHBondContact N-O 3.39Å; E506-K534 PolarHBondContact O-N 3.5Å; E506-K534 WeakPolarHBondContact OE1-CD 3.3Å; E506-K534 WeakPolarHBondContact OE1-CE 3.33Å; E506-K534 IonicContact OE1-NZ 2.69Å; E506-K534 PolarHBondContact OE1-NZ 3.29Å; E506-K534 WeakPolarHBondContact OE2-CD 3.49Å; E506-K534 IonicContact OE2-NZ 2.71Å; E506-K534 PolarHBondContact OE2-NZ 3.34Å
507I87.3Confident81.4Confident2 Ų248.8 Ų48.81%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-124.7118.8171.3-59.7167.9000107.5I504 G509 I510 V512 L520 L524 M527 I531 F533I504-I507 HydrophobicContact CG2-CD1 4.19Å; I504-I507 HydrophobicContact CG2-CG1 3.71Å; I507-G509 PolarHBondContact O-N 3.46Å; I507-G509 VanDerWaalsContact O-N 3.14Å; I507-I510 PolarHBondContact N-O 3.29Å; I507-I510 WeakPolarHBondContact O-CB 3.46Å; I507-I510 PolarHBondContact O-N 3.03Å; I507-V512 HydrophobicContact CD1-CG2 3.82Å; I507-V512 HydrophobicContact CG1-CG2 3.75Å; I507-L520 HydrophobicContact CD1-CD2 4.18Å; I507-L524 HydrophobicContact CD1-CD1 4.45Å; I507-L524 HydrophobicContact CD1-CD2 4.29Å; I507-L524 HydrophobicContact CD1-CG 4.47Å; I507-L524 HydrophobicContact CG2-CD2 4.29Å; I507-M527 HydrophobicContact CG2-CE 3.42Å; I507-M527 VanDerWaalsContact CG2-CE 3.42Å; I507-M527 HydrophobicContact CG2-SD 4.28Å; I507-I531 HydrophobicContact CG2-CG2 4.26Å; I507-F533 HydrophobicContact CB-CD1 4.32Å; I507-F533 HydrophobicContact CB-CE1 4.37Å; I507-F533 HydrophobicContact CD1-CE1 4.2Å; I507-F533 HydrophobicContact CD1-CZ 4.44Å; I507-F533 HydrophobicContact CG1-CD1 3.9Å; I507-F533 HydrophobicContact CG1-CE1 3.87Å; I507-F533 HydrophobicContact CG1-CZ 4.48Å; I507-F533 HydrophobicContact CG2-CD1 3.91Å; I507-F533 HydrophobicContact CG2-CE1 3.7Å
508N85.1Confident81.5Confident70 Ų7053.1 Ų53.137%0.37431%0.307SS..THydrogen-bonded Turntrans50.134-173.4-76-14.2000113.8I510 M527 I531 T532N508-I510 VanDerWaalsContact C-N 3.29Å; N508-I510 PolarHBondContact O-N 3.35Å; N508-M527 PolarHBondContact ND2-SD 3.18Å; N508-M527 VanDerWaalsContact ND2-SD 3.36Å; N508-I531 WeakPolarHBondContact OD1-CA 3.35Å; N508-T532 PolarHBondContact N-O 3.03Å; N508-T532 PolarHBondContact OD1-N 2.98Å
509G77.4Confident81.5Confident61 Ų6157.7 Ų57.763%0.62933%0.328SS*.THydrogen-bonded Turntrans81-2-177.700000115.2I507I507-G509 PolarHBondContact O-N 3.46Å; I507-G509 VanDerWaalsContact O-N 3.14Å
510I82.8Confident81.4Confident84 Ų8455.1 Ų55.143%0.43132%0.316SS..EExtended strand (participates in β ladder)trans-84.7123.5171.7-54.6175.2000108.1E506 I507 N508 M523E506-I510 CarbonylContact C-O 3.58Å; E506-I510 WeakPolarHBondContact CA-O 3.16Å; E506-I510 WeakPolarHBondContact CB-O 3.34Å; I507-I510 PolarHBondContact N-O 3.29Å; I507-I510 WeakPolarHBondContact O-CB 3.46Å; I507-I510 PolarHBondContact O-N 3.03Å; N508-I510 VanDerWaalsContact C-N 3.29Å; N508-I510 PolarHBondContact O-N 3.35Å; I510-M523 HydrophobicContact CD1-CE 4.48Å; I510-M523 HydrophobicContact CD1-SD 4.25Å; I510-M523 HydrophobicContact CG2-CE 4.4Å
511S81.6Confident81.2Confident66 Ų6653.7 Ų53.746%0.46230%0.304SS..EExtended strand (participates in β ladder)trans-64.5134.7175.9-175.80000111.4A513 Q515S511-A513 PolarHBondContact OG-N 2.86Å; S511-Q515 PolarHBondContact O-NE2 3.42Å
512V82.6Confident81.2Confident4 Ų458 Ų582%0.02431%0.314CS..  trans-83.2-16.7-179.7174.90000111.9C481 I504 R505 I507 Q515 L520C481-V512 HydrophobicContact CB-CG1 3.37Å; I504-V512 HydrophobicContact CG2-CG2 4.07Å; R505-V512 WeakPolarHBondContact O-CB 3.41Å; R505-V512 PolarHBondContact O-N 2.95Å; I507-V512 HydrophobicContact CD1-CG2 3.82Å; I507-V512 HydrophobicContact CG1-CG2 3.75Å; V512-Q515 PolarHBondContact O-N 3.11Å; V512-L520 HydrophobicContact CB-CD2 4.38Å; V512-L520 HydrophobicContact CG1-CD1 3.66Å; V512-L520 HydrophobicContact CG1-CD2 3.84Å; V512-L520 HydrophobicContact CG1-CG 4.42Å; V512-L520 HydrophobicContact CG2-CD2 4.14Å
513A74.3Confident81.1Confident57 Ų5759.9 Ų59.947%0.47132%0.323SS..THydrogen-bonded Turntrans-57.9140.4176.500000111.8S511 Q515S511-A513 PolarHBondContact OG-N 2.86Å; A513-Q515 PolarHBondContact O-N 2.77Å
514N70.2Confident80.7Confident165 Ų16559.1 Ų59.188%0.88232%0.32SS*.THydrogen-bonded Turntrans63.411.8-179.8-49.9-30.1000116
515Q78.3Confident80.2Confident39 Ų3965.8 Ų65.818%0.18235%0.345CS..  trans-95.9150.4169.1-59.8-16943.100111.2M475 S511 V512 A513 L520M475-Q515 WeakPolarHBondContact CE-O 3.41Å; S511-Q515 PolarHBondContact O-NE2 3.42Å; V512-Q515 PolarHBondContact O-N 3.11Å; A513-Q515 PolarHBondContact O-N 2.77Å; Q515-L520 HydrophobicContact CB-CD1 4.29Å; Q515-L520 HydrophobicContact CB-CD2 4.02Å; Q515-L520 HydrophobicContact CB-CG 3.97Å
516T78.8Confident79.9Confident59 Ų5966.9 Ų66.936%0.36235%0.354SS..  trans-85161.2174.383.60000112E518 Q519 L520T516-E518 WeakPolarHBondContact CB-OE2 3.44Å; T516-E518 PolarHBondContact O-N 2.98Å; T516-E518 PolarHBondContact OG1-OE2 2.91Å; T516-Q519 PolarHBondContact O-N 2.79Å; T516-Q519 WeakPolarHBondContact OG1-CG 3.35Å; T516-Q519 PolarHBondContact OG1-N 3.37Å; T516-L520 WeakPolarHBondContact O-CG 3.41Å; T516-L520 PolarHBondContact O-N 2.86Å
517V77.1Confident79.5Confident25 Ų2565.9 Ų65.915%0.15235%0.35CS..Hα-helixtrans-61.1-35.1-179.8178.70000111.2L473 M475 L520 Q521L473-V517 HydrophobicContact CB-CG1 4.41Å; M475-V517 HydrophobicContact CE-CG2 3.97Å; M475-V517 HydrophobicContact CG-CG2 4.03Å; M475-V517 HydrophobicContact SD-CG2 4.45Å; V517-L520 PolarHBondContact O-N 3.44Å; V517-Q521 HydrophobicContact CG1-CG 4.28Å; V517-Q521 WeakPolarHBondContact O-CB 3.44Å; V517-Q521 VanDerWaalsContact O-CG 3.26Å; V517-Q521 WeakPolarHBondContact O-CG 3.49Å; V517-Q521 PolarHBondContact O-N 3.25Å
518E78.5Confident79.1Confident125 Ų12570.9 Ų70.958%0.58437%0.369SS*.Hα-helixtrans-69.8-38.7179.8-51.766.7-137.100111.2T516 K522T516-E518 WeakPolarHBondContact CB-OE2 3.44Å; T516-E518 PolarHBondContact O-N 2.98Å; T516-E518 PolarHBondContact OG1-OE2 2.91Å; E518-K522 WeakPolarHBondContact O-CB 3.33Å; E518-K522 PolarHBondContact O-N 2.81Å
519Q80.9Confident78.9Confident98 Ų9868.7 Ų68.746%0.45836%0.363SS..Hα-helixtrans-64.2-45.3174.6-67.3169.2-6.700110.8T516 K522 M523T516-Q519 PolarHBondContact O-N 2.79Å; T516-Q519 WeakPolarHBondContact OG1-CG 3.35Å; T516-Q519 PolarHBondContact OG1-N 3.37Å; Q519-K522 PolarHBondContact O-N 3.13Å; Q519-M523 WeakPolarHBondContact O-CB 3.35Å; Q519-M523 PolarHBondContact O-N 3.08Å
520L80.3Confident79.1Confident0 Ų068.2 Ų68.20%035%0.35CS..Hα-helixtrans-65.9-43.2177.1-65.3164.3000111.7M475 C481 I507 V512 Q515 T516 V517 K522 M523 L524M475-L520 HydrophobicContact CE-CD1 3.71Å; C481-L520 HydrophobicContact CB-CD1 4.36Å; I507-L520 HydrophobicContact CD1-CD2 4.18Å; V512-L520 HydrophobicContact CB-CD2 4.38Å; V512-L520 HydrophobicContact CG1-CD1 3.66Å; V512-L520 HydrophobicContact CG1-CD2 3.84Å; V512-L520 HydrophobicContact CG1-CG 4.42Å; V512-L520 HydrophobicContact CG2-CD2 4.14Å; Q515-L520 HydrophobicContact CB-CD1 4.29Å; Q515-L520 HydrophobicContact CB-CD2 4.02Å; Q515-L520 HydrophobicContact CB-CG 3.97Å; T516-L520 WeakPolarHBondContact O-CG 3.41Å; T516-L520 PolarHBondContact O-N 2.86Å; V517-L520 PolarHBondContact O-N 3.44Å; L520-K522 PolarHBondContact O-N 2.91Å; L520-M523 PolarHBondContact O-N 2.78Å; L520-L524 WeakPolarHBondContact O-CB 3.26Å; L520-L524 VanDerWaalsContact O-CG 3.26Å; L520-L524 WeakPolarHBondContact O-CG 3.34Å; L520-L524 PolarHBondContact O-N 2.63Å
521Q77Confident79.3Confident55 Ų5564.2 Ų64.226%0.25733%0.329SS..Hα-helixtrans-61.1-42.1173.7-77.9-177.519.500111.9V517 L524 R525V517-Q521 HydrophobicContact CG1-CG 4.28Å; V517-Q521 WeakPolarHBondContact O-CB 3.44Å; V517-Q521 VanDerWaalsContact O-CG 3.26Å; V517-Q521 WeakPolarHBondContact O-CG 3.49Å; V517-Q521 PolarHBondContact O-N 3.25Å; Q521-L524 PolarHBondContact O-N 3.38Å; Q521-R525 VanDerWaalsContact O-CB 3.24Å; Q521-R525 WeakPolarHBondContact O-CB 3.47Å; Q521-R525 PolarHBondContact O-N 3.21Å
522K79.6Confident79.5Confident121 Ų12162.9 Ų62.953%0.52632%0.318SS..Hα-helixtrans-62.1-49.2175.1-178-179.1174-175.70111.1E518 Q519 L520 L524 R525 E526E518-K522 WeakPolarHBondContact O-CB 3.33Å; E518-K522 PolarHBondContact O-N 2.81Å; Q519-K522 PolarHBondContact O-N 3.13Å; L520-K522 PolarHBondContact O-N 2.91Å; K522-L524 VanDerWaalsContact C-N 3.34Å; K522-L524 PolarHBondContact O-N 3.01Å; K522-R525 WeakPolarHBondContact O-CB 3.42Å; K522-R525 PolarHBondContact O-N 3.38Å; K522-R525 VanDerWaalsContact O-N 3.08Å; K522-E526 WeakPolarHBondContact CE-OE1 3.45Å; K522-E526 IonicContact NZ-OE1 2.73Å; K522-E526 WeakPolarHBondContact O-CG 3.3Å; K522-E526 PolarHBondContact O-N 2.8Å
523M81.1Confident79.8Confident39 Ų3962.7 Ų62.719%0.19232%0.317CS..Hα-helixtrans-56.4-47177.3-168.2-167.1-6300111.4I510 Q519 L520 R525 E526 M527I510-M523 HydrophobicContact CD1-CE 4.48Å; I510-M523 HydrophobicContact CD1-SD 4.25Å; I510-M523 HydrophobicContact CG2-CE 4.4Å; Q519-M523 WeakPolarHBondContact O-CB 3.35Å; Q519-M523 PolarHBondContact O-N 3.08Å; L520-M523 PolarHBondContact O-N 2.78Å; M523-R525 VanDerWaalsContact C-N 3.33Å; M523-R525 PolarHBondContact O-N 3.12Å; M523-E526 PolarHBondContact O-N 3.45Å; M523-M527 HydrophobicContact CG-CE 3.73Å; M523-M527 HydrophobicContact CG-SD 4.33Å; M523-M527 WeakPolarHBondContact O-CG 3.31Å; M523-M527 PolarHBondContact O-N 3.09Å; M523-M527 HydrophobicContact SD-CE 4.07Å
524L79.3Confident80.4Confident14 Ų1463 Ų637%0.07331%0.308CS..Hα-helixtrans-67.2-29.8176.8-70.2169000113.4K463 M469 L473 I507 L520 Q521 K522 M527 F533K463-L524 PolarHBondContact NZ-O 2.82Å; M469-L524 HydrophobicContact CE-CD2 4.48Å; M469-L524 HydrophobicContact SD-CB 4.34Å; M469-L524 HydrophobicContact SD-CD2 3.89Å; L473-L524 HydrophobicContact CD1-CD1 3.73Å; I507-L524 HydrophobicContact CD1-CD1 4.45Å; I507-L524 HydrophobicContact CD1-CD2 4.29Å; I507-L524 HydrophobicContact CD1-CG 4.47Å; I507-L524 HydrophobicContact CG2-CD2 4.29Å; L520-L524 WeakPolarHBondContact O-CB 3.26Å; L520-L524 VanDerWaalsContact O-CG 3.26Å; L520-L524 WeakPolarHBondContact O-CG 3.34Å; L520-L524 PolarHBondContact O-N 2.63Å; Q521-L524 PolarHBondContact O-N 3.38Å; K522-L524 VanDerWaalsContact C-N 3.34Å; K522-L524 PolarHBondContact O-N 3.01Å; L524-M527 HydrophobicContact CD2-CE 3.78Å; L524-M527 HydrophobicContact CG-CE 4.38Å; L524-F533 HydrophobicContact CD1-CZ 4.28Å; L524-F533 HydrophobicContact CD2-CE1 3.57Å; L524-F533 HydrophobicContact CD2-CZ 3.53Å
525R78.9Confident81.2Confident142 Ų14255.1 Ų55.154%0.53627%0.266SS..Hα-helixtrans-70.2-38173.5-163.5179.1-58.7-154.92.1111.1K463 Q521 K522 M523 R528 E580K463-R525 PolarHBondContact NZ-O 2.81Å; K463-R525 VanDerWaalsContact NZ-O 3.14Å; Q521-R525 VanDerWaalsContact O-CB 3.24Å; Q521-R525 WeakPolarHBondContact O-CB 3.47Å; Q521-R525 PolarHBondContact O-N 3.21Å; K522-R525 WeakPolarHBondContact O-CB 3.42Å; K522-R525 PolarHBondContact O-N 3.38Å; K522-R525 VanDerWaalsContact O-N 3.08Å; M523-R525 VanDerWaalsContact C-N 3.33Å; M523-R525 PolarHBondContact O-N 3.12Å; R525-R528 PolarHBondContact O-NH1 3.27Å; R525-R528 PolarHBondContact O-NH2 2.66Å; R525-E580 IonicContact CZ-OE1 3.13Å; R525-E580 IonicContact NH1-OE1 2.66Å; R525-E580 IonicContact NH2-OE1 2.76Å; R525-E580 PolarHBondContact NH2-OE1 2.91Å
526E79.3Confident81.5Confident125 Ų12554.8 Ų54.858%0.58427%0.266SS*.Hα-helixtrans-82.4-36.7-177.1-71.4172.1174.700113.5K522 M523 R528K522-E526 WeakPolarHBondContact CE-OE1 3.45Å; K522-E526 IonicContact NZ-OE1 2.73Å; K522-E526 WeakPolarHBondContact O-CG 3.3Å; K522-E526 PolarHBondContact O-N 2.8Å; M523-E526 PolarHBondContact O-N 3.45Å; E526-R528 PolarHBondContact O-NH1 3.35Å
527M78.8Confident81.4Confident33 Ų3353.1 Ų53.116%0.16326%0.256CS..  trans-61143.6179.3-75.2-173.4-69.200113.9K463 I507 N508 M523 L524 I531K463-M527 PolarHBondContact NZ-O 3.08Å; I507-M527 HydrophobicContact CG2-CE 3.42Å; I507-M527 VanDerWaalsContact CG2-CE 3.42Å; I507-M527 HydrophobicContact CG2-SD 4.28Å; N508-M527 PolarHBondContact ND2-SD 3.18Å; N508-M527 VanDerWaalsContact ND2-SD 3.36Å; M523-M527 HydrophobicContact CG-CE 3.73Å; M523-M527 HydrophobicContact CG-SD 4.33Å; M523-M527 WeakPolarHBondContact O-CG 3.31Å; M523-M527 PolarHBondContact O-N 3.09Å; M523-M527 HydrophobicContact SD-CE 4.07Å; L524-M527 HydrophobicContact CD2-CE 3.78Å; L524-M527 HydrophobicContact CG-CE 4.38Å; M527-I531 HydrophobicContact CB-CD1 3.74Å; M527-I531 HydrophobicContact CB-CG1 4.2Å
528R79.6Confident81.2Confident107 Ų10753.8 Ų53.840%0.40426%0.262SS..  trans-138.3161.5176.8-66.1-65.5175.1-69.51.1110K463 D466 R525 E526K463-R528 WeakPolarHBondContact O-CA 3.48Å; D466-R528 IonicContact OD1-CZ 2.64Å; D466-R528 IonicContact OD1-NE 2.7Å; D466-R528 PolarHBondContact OD1-NE 3.42Å; D466-R528 IonicContact OD1-NH2 2.65Å; D466-R528 PolarHBondContact OD1-NH2 3.43Å; R525-R528 PolarHBondContact O-NH1 3.27Å; R525-R528 PolarHBondContact O-NH2 2.66Å; E526-R528 PolarHBondContact O-NH1 3.35Å
529G81.7Confident80Confident24 Ų2456.5 Ų56.525%0.24727%0.268CS..EExtended strand (participates in β ladder)trans78.9-142.8-179.200000112Q462 K463 I531Q462-G529 WeakPolarHBondContact CA-O 3.28Å; K463-G529 PolarHBondContact N-O 2.68Å; K463-G529 PolarHBondContact O-N 2.76Å; G529-I531 PolarHBondContact O-N 2.65Å
530S81.6Confident78.3Confident51 Ų5162.5 Ų62.536%0.35729%0.287SS..EExtended strand (participates in β ladder)trans-71.4123.8178.5-177.60000111.3Q460Q460-S530 PolarHBondContact NE2-OG 2.83Å
531I85.6Confident76.1Confident0 Ų068.1 Ų68.10%032%0.322CS..EExtended strand (participates in β ladder)trans-119.2128.4171.7-58.5175.4000108Q460 F461 K463 I507 N508 M527 G529 F533Q460-I531 WeakPolarHBondContact CA-O 3.47Å; F461-I531 HydrophobicContact CD2-CB 4.15Å; F461-I531 HydrophobicContact CE1-CG2 4.35Å; F461-I531 HydrophobicContact CE2-CB 3.6Å; F461-I531 HydrophobicContact CE2-CD1 4.09Å; F461-I531 HydrophobicContact CE2-CG1 4.36Å; F461-I531 HydrophobicContact CE2-CG2 3.81Å; F461-I531 HydrophobicContact CZ-CB 3.84Å; F461-I531 HydrophobicContact CZ-CG2 3.55Å; F461-I531 PolarHBondContact N-O 2.86Å; F461-I531 PolarHBondContact O-N 2.85Å; K463-I531 HydrophobicContact CB-CD1 3.87Å; K463-I531 HydrophobicContact CD-CD1 3.92Å; I507-I531 HydrophobicContact CG2-CG2 4.26Å; N508-I531 WeakPolarHBondContact OD1-CA 3.35Å; M527-I531 HydrophobicContact CB-CD1 3.74Å; M527-I531 HydrophobicContact CB-CG1 4.2Å; G529-I531 PolarHBondContact O-N 2.65Å; I531-F533 HydrophobicContact CG2-CD1 3.9Å; I531-F533 HydrophobicContact CG2-CE1 3.65Å
532T85.7Confident74Confident37 Ų3771.7 Ų71.723%0.22734%0.338CS..EExtended strand (participates in β ladder)trans-118117.1-179.6-520000108.9L458 V459 Q460 N508L458-T532 HydrophobicContact CD2-CG2 4.09Å; V459-T532 CarbonylContact O-C 3.48Å; V459-T532 WeakPolarHBondContact O-CA 3.33Å; Q460-T532 HydrophobicContact CB-CG2 4.49Å; N508-T532 PolarHBondContact N-O 3.03Å; N508-T532 PolarHBondContact OD1-N 2.98Å
533F89.9Confident71.6Confident0 Ų071.5 Ų71.50%035%0.352CS..EExtended strand (participates in β ladder)trans-94.3140.2169.4-72.89.4000109.7L458 V459 F461 M469 I471 L498 I504 I507 L524 I531 I535L458-F533 CarbonylContact C-O 3.59Å; L458-F533 WeakPolarHBondContact CA-O 3.1Å; V459-F533 PolarHBondContact N-O 3.36Å; V459-F533 PolarHBondContact O-N 2.73Å; F461-F533 HydrophobicContact CE1-CD1 4.07Å; F461-F533 HydrophobicContact CE1-CD2 4.37Å; F461-F533 HydrophobicContact CE1-CE1 4.2Å; F461-F533 HydrophobicContact CE1-CE2 4.5Å; F461-F533 HydrophobicContact CE1-CG 4.16Å; F461-F533 HydrophobicContact CE1-CZ 4.43Å; F461-F533 HydrophobicContact CZ-CD1 4.01Å; F461-F533 AromaticContact CZ-CE1 3.71Å; F461-F533 HydrophobicContact CZ-CE1 3.71Å; F461-F533 HydrophobicContact CZ-CE2 4.39Å; F461-F533 HydrophobicContact CZ-CG 4.48Å; F461-F533 AromaticContact CZ-CZ 3.93Å; F461-F533 HydrophobicContact CZ-CZ 3.93Å; M469-F533 HydrophobicContact CE-CE1 4.48Å; M469-F533 HydrophobicContact CE-CE2 4.25Å; M469-F533 HydrophobicContact CE-CZ 3.75Å; I471-F533 HydrophobicContact CD1-CE2 4.27Å; L498-F533 HydrophobicContact CD1-CD2 3.66Å; L498-F533 HydrophobicContact CD1-CE2 3.62Å; L498-F533 HydrophobicContact CD2-CD2 4.05Å; I504-F533 HydrophobicContact CD1-CD2 3.87Å; I504-F533 HydrophobicContact CD1-CE2 3.61Å; I504-F533 HydrophobicContact CD1-CZ 4.44Å; I504-F533 HydrophobicContact CG1-CD2 4.25Å; I504-F533 HydrophobicContact CG1-CE2 4.48Å; I504-F533 HydrophobicContact CG2-CB 4.5Å; I504-F533 HydrophobicContact CG2-CD2 4.19Å; I504-F533 HydrophobicContact CG2-CG 4.3Å; I507-F533 HydrophobicContact CB-CD1 4.32Å; I507-F533 HydrophobicContact CB-CE1 4.37Å; I507-F533 HydrophobicContact CD1-CE1 4.2Å; I507-F533 HydrophobicContact CD1-CZ 4.44Å; I507-F533 HydrophobicContact CG1-CD1 3.9Å; I507-F533 HydrophobicContact CG1-CE1 3.87Å; I507-F533 HydrophobicContact CG1-CZ 4.48Å; I507-F533 HydrophobicContact CG2-CD1 3.91Å; I507-F533 HydrophobicContact CG2-CE1 3.7Å; L524-F533 HydrophobicContact CD1-CZ 4.28Å; L524-F533 HydrophobicContact CD2-CE1 3.57Å; L524-F533 HydrophobicContact CD2-CZ 3.53Å; I531-F533 HydrophobicContact CG2-CD1 3.9Å; I531-F533 HydrophobicContact CG2-CE1 3.65Å; F533-I535 HydrophobicContact CB-CG2 3.86Å; F533-I535 HydrophobicContact CD2-CG2 4.49Å
534K85.6Confident69.1Low63 Ų6375.2 Ų75.227%0.27438%0.382SS..EExtended strand (participates in β ladder)trans-105.6112.3167.2-174.6-176.4-174.9178.70107.4V456 L458 R505 E506V456-K534 HydrophobicContact CG1-CD 4.13Å; V456-K534 HydrophobicContact CG1-CG 3.27Å; L458-K534 HydrophobicContact CD2-CB 3.81Å; L458-K534 HydrophobicContact CD2-CG 3.98Å; R505-K534 PolarHBondContact N-O 2.97Å; E506-K534 HydrophobicContact CB-CB 3.88Å; E506-K534 HydrophobicContact CB-CD 4.06Å; E506-K534 HydrophobicContact CG-CD 4.1Å; E506-K534 PolarHBondContact N-O 3.39Å; E506-K534 PolarHBondContact O-N 3.5Å; E506-K534 WeakPolarHBondContact OE1-CD 3.3Å; E506-K534 WeakPolarHBondContact OE1-CE 3.33Å; E506-K534 IonicContact OE1-NZ 2.69Å; E506-K534 PolarHBondContact OE1-NZ 3.29Å; E506-K534 WeakPolarHBondContact OE2-CD 3.49Å; E506-K534 IonicContact OE2-NZ 2.71Å; E506-K534 PolarHBondContact OE2-NZ 3.34Å
535I88.6Confident66.7Low0 Ų079.6 Ų79.60%041%0.414CS..EExtended strand (participates in β ladder)trans-123.2152.2-171.667.2167.3000112.7V456 R457 V459 L498 D502 E503 I504 F533V456-I535 CarbonylContact C-O 3.57Å; V456-I535 WeakPolarHBondContact CA-O 3.44Å; V456-I535 WeakPolarHBondContact CG1-O 3.34Å; R457-I535 HydrophobicContact CB-CG1 4.04Å; R457-I535 PolarHBondContact N-O 3.44Å; R457-I535 WeakPolarHBondContact O-CG1 3.48Å; R457-I535 PolarHBondContact O-N 3.36Å; V459-I535 HydrophobicContact CG2-CD1 3.74Å; V459-I535 HydrophobicContact CG2-CG1 4.05Å; L498-I535 HydrophobicContact CD2-CD1 3.95Å; L498-I535 HydrophobicContact CD2-CG2 4.28Å; D502-I535 HydrophobicContact CB-CD1 3.94Å; D502-I535 WeakPolarHBondContact OD2-CD1 3.48Å; E503-I535 CarbonylContact O-C 3.58Å; E503-I535 WeakPolarHBondContact O-CA 3.46Å; E503-I535 VanDerWaalsContact O-CB 3.28Å; E503-I535 WeakPolarHBondContact O-CB 3.49Å; I504-I535 HydrophobicContact CB-CG2 4.46Å; I504-I535 HydrophobicContact CG1-CG2 4.15Å; I504-I535 HydrophobicContact CG2-CG2 4.43Å; F533-I535 HydrophobicContact CB-CG2 3.86Å; F533-I535 HydrophobicContact CD2-CG2 4.49Å
536V83.2Confident64.4Low32 Ų3278 Ų7819%0.19442%0.423CS..EExtended strand (participates in β ladder)trans-92.8115.4157.2-173.60000106.4V456 E503 R505V456-V536 HydrophobicContact CG2-CG2 4.42Å; E503-V536 HydrophobicContact CB-CB 4.26Å; E503-V536 PolarHBondContact N-O 2.6Å; E503-V536 PolarHBondContact O-N 3.23Å; R505-V536 HydrophobicContact CG-CG2 4.19Å
537P77.8Confident62.3Low24 Ų2480.7 Ų80.716%0.15644%0.436CS..  trans-64.9142.5-178.2-22.434.1000112.5R457 D502 Y539R457-P537 HydrophobicContact CB-CG 3.77Å; D502-P537 VanDerWaalsContact OD1-CA 3.31Å; D502-P537 WeakPolarHBondContact OD1-CA 3.35Å; P537-Y539 HydrophobicContact CB-CE2 4.48Å; P537-Y539 VanDerWaalsContact O-CD2 3.31Å; P537-Y539 WeakPolarHBondContact O-CD2 3.5Å; P537-Y539 PolarHBondContact O-N 3.28Å
538S72.9Confident60Low40 Ų4086.9 Ų86.928%0.2847%0.469SS..  trans-75.4105.8171.4570000110.9V500 G501 D502 R540V500-S538 PolarHBondContact O-OG 3.22Å; G501-S538 VanDerWaalsContact C-CB 3.49Å; D502-S538 PolarHBondContact OD1-N 2.84Å; D502-S538 PolarHBondContact OD1-OG 2.96Å; S538-R540 PolarHBondContact O-N 3.44Å
539Y51.9Low57.5Low181 Ų18189.7 Ų89.771%0.7149%0.491SS*.  trans-74.770.8175.6-69.1-84.2000112.1P537P537-Y539 HydrophobicContact CB-CE2 4.48Å; P537-Y539 VanDerWaalsContact O-CD2 3.31Å; P537-Y539 WeakPolarHBondContact O-CD2 3.5Å; P537-Y539 PolarHBondContact O-N 3.28Å
540R45.5Very low55.1Low225 Ų22594.1 Ų94.185%0.84952%0.516SS*.  trans-107137154-72.1-171.8175.7-167.5-1108.4S538 Q542S538-R540 PolarHBondContact O-N 3.44Å; R540-Q542 PolarHBondContact O-N 2.91Å; R540-Q542 VanDerWaalsContact O-N 3.12Å
541T34.3Very low52.9Low118 Ų11897.3 Ų97.372%0.72454%0.538SS*.  trans-58.4115.117436.70000109.9S543T541-S543 PolarHBondContact O-N 3.08Å
542Q33Very low50.4Low130 Ų130103.3 Ų103.361%0.60758%0.575SS**  trans-66.8125.9167.4-67.5-177-26.600108.5H499 R540 S544H499-Q542 PolarHBondContact CD2-NE2 2.9Å; H499-Q542 PolarHBondContact CE1-NE2 3.39Å; H499-Q542 VanDerWaalsContact CE1-NE2 3.26Å; H499-Q542 PolarHBondContact NE2-NE2 3.4Å; R540-Q542 PolarHBondContact O-N 2.91Å; R540-Q542 VanDerWaalsContact O-N 3.12Å; Q542-S544 PolarHBondContact O-N 2.91Å
543S29.7Very low48.1Very low116 Ų116108.4 Ų108.481%0.81161%0.606SS**  trans-62.4119.2152.639.40000107.1T541 S545T541-S543 PolarHBondContact O-N 3.08Å; S543-S545 PolarHBondContact O-N 3.43Å
544S27.6Very low45.1Very low117 Ų117115.7 Ų115.782%0.81864%0.64SS**  trans-66.6102.8-176.833.50000110.6Q542 C546Q542-S544 PolarHBondContact O-N 2.91Å; S544-C546 PolarHBondContact O-N 3.45Å
545S30.3Very low42.6Very low107 Ų107118.6 Ų118.675%0.74867%0.666SS**  trans-62.1116.9172.749.30000109.9S543 E547S543-S545 PolarHBondContact O-N 3.43Å; S545-E547 PolarHBondContact O-N 2.81Å
546C30.2Very low40.2Very low108 Ų108128 Ų12873%0.7371%0.707SS**  trans-7963-177.158.30000112.9S544S544-C546 PolarHBondContact O-N 3.45Å
547E33.8Very low38.3Very low182 Ų182129.6 Ų129.685%0.8573%0.729SS**  trans-108.465.6168.7-68.1-151.1148.500111.3S545S545-E547 PolarHBondContact O-N 2.81Å
548D31.5Very low37.4Very low162 Ų162137 Ų13787%0.86675%0.754SS**  trans-152.767.4165.4-126.4-20.8000111.3
549L27.8Very low37.8Very low166 Ų166141.1 Ų141.187%0.86977%0.769SS**SBendtrans-151.4139.8171.2-105.2150.1000109.7
550P30.1Very low39.5Very low118 Ų118135 Ų13577%0.76675%0.748SS**  trans-65.5154.9-172.3-24.336000114.9T552P550-T552 PolarHBondContact O-N 3.33Å
551S36.8Very low41.8Very low117 Ų117126 Ų12682%0.81871%0.714SS**SBendtrans-67.697.4-170.157.90000115.4
552T32Very low44.6Very low127 Ų127120.7 Ų120.778%0.77968%0.681SS**SBendtrans-159.9146139.511.50000111.9P550P550-T552 PolarHBondContact O-N 3.33Å
553T36.8Very low47.5Very low143 Ų143116.2 Ų116.288%0.87766%0.659SS**  trans55.662.5167.640.60000117.7
554Q28.4Very low50.5Low153 Ų153110.7 Ų110.772%0.71562%0.62SS**PPolyproline II helixtrans-101.2147.2141.5-78.5-170.32.600110K556Q554-K556 PolarHBondContact O-N 3.25Å
555P33Very low53.4Low125 Ų125105.9 Ų105.981%0.81259%0.585SS**PPolyproline II helixtrans-69.7119.6169.529.5-32.4000109.5G557P555-G557 PolarHBondContact O-N 3.06Å
556K36.9Very low56.2Low197 Ų197101.5 Ų101.586%0.85755%0.553SS**PPolyproline II helixtrans-55.2129.9178.2-69.7-179176.8-179.90110.5Q554 R558Q554-K556 PolarHBondContact O-N 3.25Å; K556-R558 PolarHBondContact O-N 3.45Å
557G44.9Very low59.1Low65 Ų65102.4 Ų102.467%0.6755%0.546SS*.PPolyproline II helixtrans-52.1135.5170.600000111P555 Q559P555-G557 PolarHBondContact O-N 3.06Å; G557-Q559 PolarHBondContact O-N 3.43Å
558R58.3Low61.8Low179 Ų17994.3 Ų94.368%0.67551%0.508SS*.  trans-65.2105-175-173.1175.1-178.1160.50.5109.5K556 I560K556-R558 PolarHBondContact O-N 3.45Å; R558-I560 PolarHBondContact O-N 3.39Å
559Q79.9Confident64.7Low128 Ų12887.8 Ų87.860%0.59847%0.473SS*.  trans-65.2121.1179.6-67.4176.9-26.100109.8G557 Y561G557-Q559 PolarHBondContact O-N 3.43Å; Q559-Y561 HydrophobicContact CB-CD2 4.38Å; Q559-Y561 HydrophobicContact CB-CE2 3.83Å
560I88.8Confident67.6Low51 Ų5180.3 Ų80.326%0.26243%0.434SS..EExtended strand (participates in β ladder)trans-93.9130.5-180-59.3175.3000108.5R558 V562 I593 E675R558-I560 PolarHBondContact O-N 3.39Å; I560-V562 HydrophobicContact CG2-CG1 4.46Å; I560-I593 HydrophobicContact CB-CB 4.29Å; I560-I593 HydrophobicContact CG2-CB 4.35Å; I560-I593 HydrophobicContact CG2-CG1 4.18Å; I560-I593 PolarHBondContact O-N 3.48Å; I560-E675 HydrophobicContact CG2-CG 4.21Å
561Y93.5Very high70.5Confident37 Ų3777.8 Ų77.815%0.14542%0.424CS..EExtended strand (participates in β ladder)trans-124.2138176.2-73.3-90000109.6Q559 I590 I591 Q592 E607 E675 V676 W864Q559-Y561 HydrophobicContact CB-CD2 4.38Å; Q559-Y561 HydrophobicContact CB-CE2 3.83Å; Y561-I590 HydrophobicContact CD1-CG2 4.18Å; Y561-I591 WeakPolarHBondContact CA-O 3.48Å; Y561-Q592 HydrophobicContact CD1-CB 3.92Å; Y561-Q592 HydrophobicContact CD1-CG 4.25Å; Y561-Q592 HydrophobicContact CE1-CB 3.64Å; Y561-Q592 HydrophobicContact CE1-CG 3.8Å; Y561-Q592 HydrophobicContact CE2-CG 4.47Å; Y561-Q592 PolarHBondContact OH-NE2 3.39Å; Y561-E607 WeakPolarHBondContact CE1-OE2 3.4Å; Y561-E675 WeakPolarHBondContact O-CG 3.29Å; Y561-V676 PolarHBondContact O-N 3.24Å; Y561-W864 AromaticContact CD1-CH2 3.44Å; Y561-W864 HydrophobicContact CD1-CH2 3.44Å; Y561-W864 VanDerWaalsContact CD1-CH2 3.44Å; Y561-W864 HydrophobicContact CD1-CZ2 4.28Å; Y561-W864 AromaticContact CD1-CZ3 3.95Å; Y561-W864 HydrophobicContact CD1-CZ3 3.95Å; Y561-W864 HydrophobicContact CD2-CH2 4.01Å; Y561-W864 HydrophobicContact CD2-CZ3 4.09Å; Y561-W864 AromaticContact CE1-CH2 3.75Å; Y561-W864 HydrophobicContact CE1-CH2 3.75Å; Y561-W864 HydrophobicContact CE1-CZ2 4.43Å; Y561-W864 HydrophobicContact CE2-CH2 4.3Å; Y561-W864 AromaticContact CG-CH2 3.56Å; Y561-W864 HydrophobicContact CG-CH2 3.56Å; Y561-W864 AromaticContact CG-CZ3 3.62Å; Y561-W864 HydrophobicContact CG-CZ3 3.62Å
562V93.7Very high72.8Confident6 Ų680 Ų804%0.03642%0.419CS..EExtended strand (participates in β ladder)trans-128146.9177.2-58.40000111.3I560 I590 I591 I593 Y673 E674I560-V562 HydrophobicContact CG2-CG1 4.46Å; V562-I590 WeakPolarHBondContact O-CA 3.27Å; V562-I591 HydrophobicContact CG2-CB 4.05Å; V562-I591 PolarHBondContact N-O 3.15Å; V562-I591 PolarHBondContact O-N 2.93Å; V562-I593 HydrophobicContact CG1-CG1 4.16Å; V562-I593 HydrophobicContact CG2-CD1 3.81Å; V562-I593 HydrophobicContact CG2-CG1 4.23Å; V562-Y673 HydrophobicContact CB-CD1 4.37Å; V562-Y673 HydrophobicContact CG2-CD1 3.71Å; V562-Y673 HydrophobicContact CG2-CE1 4.38Å; V562-Y673 HydrophobicContact CG2-CG 4.2Å; V562-E674 CarbonylContact C-O 3.58Å; V562-E674 VanDerWaalsContact CA-O 3.3Å; V562-E674 WeakPolarHBondContact CA-O 3.38Å
563R92.6Very high75.1Confident36 Ų3674.6 Ų74.614%0.13639%0.385CS..EExtended strand (participates in β ladder)trans-91.8124.9164.5173.1-174.8-73129.2-2.9108.4Q565 D589 I590 Y673 E674 V676 W864R563-Q565 PolarHBondContact O-N 3.16Å; R563-D589 WeakPolarHBondContact CA-O 3.48Å; R563-I590 HydrophobicContact CB-CD1 3.84Å; R563-I590 HydrophobicContact CG-CD1 4.23Å; R563-Y673 WeakPolarHBondContact O-CA 3.22Å; R563-E674 HydrophobicContact CB-CB 4.4Å; R563-E674 WeakPolarHBondContact CD-OE2 3.02Å; R563-E674 IonicContact CZ-OE2 3.38Å; R563-E674 PolarHBondContact N-O 2.94Å; R563-E674 IonicContact NH1-OE2 3.38Å; R563-E674 PolarHBondContact NH1-OE2 2.72Å; R563-E674 PolarHBondContact O-N 3.35Å; R563-V676 HydrophobicContact CB-CG1 3.92Å; R563-V676 HydrophobicContact CB-CG2 4.43Å; R563-W864 PolarHBondContact NH2-O 3.29Å
564A92.6Very high77Confident0 Ų074.3 Ų74.30%038%0.378CS..EExtended strand (participates in β ladder)trans-66.7128.3171.200000110.8F585 G588 D589 I591 Y673A564-F585 HydrophobicContact CB-CD2 3.45Å; A564-F585 VanDerWaalsContact CB-CD2 3.45Å; A564-F585 HydrophobicContact CB-CE2 3.59Å; A564-F585 HydrophobicContact CB-CG 4.37Å; A564-G588 PolarHBondContact O-N 3.47Å; A564-D589 PolarHBondContact N-O 3.19Å; A564-I591 HydrophobicContact CB-CD1 4.26Å; A564-Y673 HydrophobicContact CB-CD1 4.42Å; A564-Y673 HydrophobicContact CB-CE1 4.35Å
565Q89.3Confident79.3Confident17 Ų1771.4 Ų71.48%0.07937%0.367CS..SBendtrans-94.4-10.4176.3-59-66.8-40.600112.3R563 V671 T672 E674 H833R563-Q565 PolarHBondContact O-N 3.16Å; Q565-V671 HydrophobicContact CB-CG1 3.63Å; Q565-V671 WeakPolarHBondContact O-CG1 3.49Å; Q565-T672 WeakPolarHBondContact CB-O 3.49Å; Q565-T672 PolarHBondContact N-O 3.18Å; Q565-E674 HydrophobicContact CG-CB 4.31Å; Q565-E674 PolarHBondContact NE2-OE2 3.03Å; Q565-H833 HydrophobicContact CB-CB 4.25Å; Q565-H833 WeakPolarHBondContact O-CB 3.1Å; Q565-H833 PolarHBondContact OE1-O 2.9Å; Q565-H833 VanDerWaalsContact OE1-O 3.08Å
566F89.4Confident81.6Confident14 Ų1466.1 Ų66.16%0.06133%0.331CS..SBendtrans-127.7166.1-179.663.1-76000111.4F585 R586 V587 P618 Q623 V671 T672 Y673F566-F585 HydrophobicContact CD2-CE2 4.13Å; F566-F585 HydrophobicContact CD2-CZ 4.44Å; F566-F585 HydrophobicContact CE1-CE2 4.21Å; F566-F585 HydrophobicContact CE1-CZ 4.25Å; F566-F585 AromaticContact CE2-CE2 3.81Å; F566-F585 HydrophobicContact CE2-CE2 3.81Å; F566-F585 AromaticContact CE2-CZ 3.67Å; F566-F585 HydrophobicContact CE2-CZ 3.67Å; F566-F585 HydrophobicContact CG-CE2 4.49Å; F566-F585 AromaticContact CZ-CE2 3.85Å; F566-F585 HydrophobicContact CZ-CE2 3.85Å; F566-F585 AromaticContact CZ-CZ 3.56Å; F566-F585 HydrophobicContact CZ-CZ 3.56Å; F566-F585 WeakPolarHBondContact O-CE2 3.45Å; F566-R586 CarbonylContact O-C 3.53Å; F566-V587 PolarHBondContact O-N 2.82Å; F566-P618 HydrophobicContact CE2-CG 4.07Å; F566-P618 HydrophobicContact CZ-CG 3.97Å; F566-Q623 HydrophobicContact CD1-CG 3.87Å; F566-Q623 VanDerWaalsContact CD2-CD 3.44Å; F566-Q623 HydrophobicContact CD2-CG 4.16Å; F566-Q623 VanDerWaalsContact CD2-NE2 3.28Å; F566-Q623 HydrophobicContact CE1-CB 4.26Å; F566-Q623 HydrophobicContact CE1-CG 3.63Å; F566-Q623 HydrophobicContact CE2-CB 4.48Å; F566-Q623 HydrophobicContact CE2-CG 3.88Å; F566-Q623 HydrophobicContact CG-CG 4.15Å; F566-Q623 HydrophobicContact CZ-CB 3.99Å; F566-Q623 HydrophobicContact CZ-CG 3.61Å; F566-V671 HydrophobicContact CB-CG1 4.23Å; F566-V671 WeakPolarHBondContact CD1-O 3.37Å; F566-T672 WeakPolarHBondContact CD1-O 3.49Å; F566-T672 VanDerWaalsContact CE1-O 3.23Å; F566-T672 WeakPolarHBondContact CE1-O 3.5Å; F566-Y673 HydrophobicContact CE1-CD1 4.36Å; F566-Y673 HydrophobicContact CE1-CD2 4.25Å; F566-Y673 AromaticContact CE1-CE1 3.95Å; F566-Y673 HydrophobicContact CE1-CE1 3.95Å; F566-Y673 AromaticContact CE1-CE2 3.85Å; F566-Y673 HydrophobicContact CE1-CE2 3.85Å; F566-Y673 AromaticContact CE1-CZ 3.71Å; F566-Y673 HydrophobicContact CZ-CE1 4.21Å; F566-Y673 AromaticContact CZ-CE2 3.98Å; F566-Y673 HydrophobicContact CZ-CE2 3.98Å; F566-Y673 AromaticContact CZ-CZ 3.66Å
567E90.3Very high83.4Confident128 Ų12860.4 Ų60.460%0.59832%0.315SS*.  trans-89.7141.4168.3-58.9-155135.700111.2R586 V587E567-R586 HydrophobicContact CG-CB 4.4Å; E567-R586 WeakPolarHBondContact OE1-CG 3.48Å; E567-V587 HydrophobicContact CG-CG2 3.96Å
568Y91.6Very high85Confident12 Ų1258.4 Ų58.45%0.04729%0.29CS..BIsolated β-bridgetrans-132134.3177.8-177.8-122.8000112.8P570 D573 I583 R584 F585 W601 P618Y568-P570 HydrophobicContact CE1-CB 3.94Å; Y568-P570 HydrophobicContact CE1-CG 4.3Å; Y568-D573 HydrophobicContact CE2-CB 4.03Å; Y568-D573 WeakPolarHBondContact CE2-OD2 3.3Å; Y568-D573 VanDerWaalsContact CZ-OD2 3.23Å; Y568-D573 PolarHBondContact OH-OD2 3.39Å; Y568-I583 VanDerWaalsContact CD1-O 3.23Å; Y568-I583 WeakPolarHBondContact CD1-O 3.45Å; Y568-R584 WeakPolarHBondContact O-CA 3.48Å; Y568-R584 VanDerWaalsContact O-CG 3.25Å; Y568-R584 WeakPolarHBondContact O-CG 3.44Å; Y568-F585 HydrophobicContact CD1-CD1 4.06Å; Y568-F585 AromaticContact CD1-CE1 3.55Å; Y568-F585 HydrophobicContact CD1-CE1 3.55Å; Y568-F585 HydrophobicContact CD1-CZ 4.08Å; Y568-F585 AromaticContact CG-CE1 3.91Å; Y568-F585 HydrophobicContact CG-CE1 3.91Å; Y568-F585 AromaticContact CG-CZ 3.96Å; Y568-F585 HydrophobicContact CG-CZ 3.96Å; Y568-F585 PolarHBondContact N-O 3.04Å; Y568-F585 PolarHBondContact O-N 2.85Å; Y568-F585 VanDerWaalsContact O-N 3.14Å; Y568-W601 WeakPolarHBondContact OH-CH2 3.34Å; Y568-P618 HydrophobicContact CD1-CG 4.36Å; Y568-P618 HydrophobicContact CD2-CG 4.23Å; Y568-P618 HydrophobicContact CE1-CG 4.45Å; Y568-P618 HydrophobicContact CE2-CG 4.36Å; Y568-P618 HydrophobicContact CG-CG 4.26Å
569D91.7Very high86.2Confident24 Ų2453.6 Ų53.613%0.12827%0.274CS..  trans-134.891.9-175.6-168.8-6.4000110.4A571 K572 R584D569-A571 PolarHBondContact O-N 3.29Å; D569-K572 HydrophobicContact CB-CB 4.5Å; D569-K572 HydrophobicContact CB-CD 4.12Å; D569-K572 HydrophobicContact CB-CG 4.28Å; D569-K572 PolarHBondContact O-N 3.11Å; D569-K572 WeakPolarHBondContact OD2-CD 3.32Å; D569-K572 WeakPolarHBondContact OD2-CE 3.46Å; D569-K572 IonicContact OD2-NZ 2.67Å; D569-R584 VanDerWaalsContact CG-NH2 3.28Å; D569-R584 IonicContact OD1-CZ 2.69Å; D569-R584 IonicContact OD1-NH1 2.65Å; D569-R584 PolarHBondContact OD1-NH1 2.93Å; D569-R584 IonicContact OD1-NH2 2.72Å; D569-R584 IonicContact OD2-CZ 2.69Å; D569-R584 IonicContact OD2-NH1 2.69Å; D569-R584 PolarHBondContact OD2-NH1 3.29Å; D569-R584 IonicContact OD2-NH2 3.82Å; D569-R584 PolarHBondContact OD2-NH2 2.89Å
570P90Very high86.3Confident9 Ų953.3 Ų53.36%0.05827%0.273CS..G310 helixtrans-63.4-16.4-173.224.6-34.6000114Y568 K572 I576 K579Y568-P570 HydrophobicContact CE1-CB 3.94Å; Y568-P570 HydrophobicContact CE1-CG 4.3Å; P570-K572 VanDerWaalsContact C-N 3.28Å; P570-K572 PolarHBondContact O-N 3Å; P570-I576 HydrophobicContact CB-CD1 3.92Å; P570-K579 WeakPolarHBondContact O-CG 3.47Å
571A89.3Confident86Confident66 Ų6651.8 Ų51.855%0.54527%0.268SS..G310 helixtrans-66.2-32.6172.500000112.3D569 K579D569-A571 PolarHBondContact O-N 3.29Å; A571-K579 PolarHBondContact O-NZ 2.81Å
572K85.8Confident85.7Confident164 Ų16450.9 Ų50.971%0.71327%0.27SS*.G310 helixtrans-92.56.5-177.2-59.1-178.7-179.2173.40113.8D569 P570D569-K572 HydrophobicContact CB-CB 4.5Å; D569-K572 HydrophobicContact CB-CD 4.12Å; D569-K572 HydrophobicContact CB-CG 4.28Å; D569-K572 PolarHBondContact O-N 3.11Å; D569-K572 WeakPolarHBondContact OD2-CD 3.32Å; D569-K572 WeakPolarHBondContact OD2-CE 3.46Å; D569-K572 IonicContact OD2-NZ 2.67Å; P570-K572 VanDerWaalsContact C-N 3.28Å; P570-K572 PolarHBondContact O-N 3Å
573D80.9Confident85.6Confident12 Ų1252 Ų526%0.06428%0.275CS..  trans-114.1105.5-169-177.7-6.8000110.3Y568 L575 I576 K579 W601 R626Y568-D573 HydrophobicContact CE2-CB 4.03Å; Y568-D573 WeakPolarHBondContact CE2-OD2 3.3Å; Y568-D573 VanDerWaalsContact CZ-OD2 3.23Å; Y568-D573 PolarHBondContact OH-OD2 3.39Å; D573-L575 PolarHBondContact O-N 3.24Å; D573-L575 WeakPolarHBondContact OD1-CB 3.05Å; D573-L575 PolarHBondContact OD1-N 3.33Å; D573-I576 HydrophobicContact CB-CG2 4.47Å; D573-I576 VanDerWaalsContact O-CG2 3.3Å; D573-I576 WeakPolarHBondContact O-CG2 3.14Å; D573-K579 WeakPolarHBondContact O-CE 3.42Å; D573-W601 WeakPolarHBondContact OD2-CH2 2.81Å; D573-R626 IonicContact OD1-CZ 3.8Å; D573-R626 IonicContact OD1-NH1 2.77Å; D573-R626 IonicContact OD1-NH2 2.85Å; D573-R626 PolarHBondContact OD1-NH2 3.33Å; D573-R626 IonicContact OD2-CZ 3.96Å; D573-R626 IonicContact OD2-NH1 3.75Å; D573-R626 PolarHBondContact OD2-NH1 3.35Å; D573-R626 IonicContact OD2-NH2 3.62Å; D573-R626 PolarHBondContact OD2-NH2 3.33Å
574D76.8Confident85.6Confident138 Ų13856.8 Ų56.874%0.73829%0.293SS*.THydrogen-bonded Turntrans-83.72.4-177-58.8-45.3000113.4K579D574-K579 IonicContact OD1-NZ 3.95Å; D574-K579 PolarHBondContact OD1-NZ 3.03Å
575L76.8Confident85.6Confident92 Ų9257 Ų5748%0.48229%0.294SS..THydrogen-bonded Turntrans-98.8-7.6176.1-59.4174.2000113.5D573 W601 W625D573-L575 PolarHBondContact O-N 3.24Å; D573-L575 WeakPolarHBondContact OD1-CB 3.05Å; D573-L575 PolarHBondContact OD1-N 3.33Å; L575-W601 HydrophobicContact CB-CZ2 4.44Å; L575-W601 WeakPolarHBondContact O-CZ2 3.29Å; L575-W625 HydrophobicContact CD1-CE3 4.28Å; L575-W625 HydrophobicContact CD1-CH2 3.88Å; L575-W625 HydrophobicContact CD1-CZ3 3.41Å; L575-W625 VanDerWaalsContact CD1-CZ3 3.41Å
576I80.9Confident85.7Confident13 Ų1363.8 Ų63.87%0.06732%0.319CS..SBendtrans-76.8127.7179-166.8176.1000111.1P570 D573 C578 K579 G582 W601 L616P570-I576 HydrophobicContact CB-CD1 3.92Å; D573-I576 HydrophobicContact CB-CG2 4.47Å; D573-I576 VanDerWaalsContact O-CG2 3.3Å; D573-I576 WeakPolarHBondContact O-CG2 3.14Å; I576-C578 WeakPolarHBondContact CD1-O 3.48Å; I576-C578 PolarHBondContact O-N 3Å; I576-K579 HydrophobicContact CG2-CB 4.26Å; I576-K579 HydrophobicContact CG2-CG 3.53Å; I576-G582 VanDerWaalsContact CD1-CA 3.43Å; I576-W601 VanDerWaalsContact CA-CZ2 3.42Å; I576-W601 HydrophobicContact CB-CH2 3.59Å; I576-W601 HydrophobicContact CB-CZ2 3.83Å; I576-W601 HydrophobicContact CB-CZ3 4.13Å; I576-W601 HydrophobicContact CD1-CH2 4.32Å; I576-W601 HydrophobicContact CD1-CZ3 3.99Å; I576-W601 HydrophobicContact CG1-CD2 4.49Å; I576-W601 HydrophobicContact CG1-CE3 4.14Å; I576-W601 HydrophobicContact CG1-CH2 3.75Å; I576-W601 HydrophobicContact CG1-CZ2 4.13Å; I576-W601 HydrophobicContact CG1-CZ3 3.75Å; I576-L616 HydrophobicContact CD1-CB 4.19Å; I576-L616 HydrophobicContact CG1-CD1 4.26Å
577P74.3Confident85.7Confident78 Ų7865.5 Ų65.551%0.50633%0.331SS..SBendtrans-61.6-16.5-177.7-27.235.1000115.6W601P577-W601 HydrophobicContact CG-CG 4.44Å
578C78.7Confident85.6Confident22 Ų2261.1 Ų61.115%0.14932%0.32CS..  trans-160.3116.1171.8170.10000108.5T472 I576 E580 A581T472-C578 HydrophobicContact CG2-CB 4.33Å; I576-C578 WeakPolarHBondContact CD1-O 3.48Å; I576-C578 PolarHBondContact O-N 3Å; C578-E580 VanDerWaalsContact C-N 3.28Å; C578-E580 PolarHBondContact O-N 2.8Å; C578-E580 PolarHBondContact SG-OE2 2.84Å; C578-E580 VanDerWaalsContact SG-OE2 3.37Å; C578-A581 HydrophobicContact CB-CB 3.93Å; C578-A581 PolarHBondContact O-N 2.94Å; C578-A581 VanDerWaalsContact O-N 3.11Å
579K83Confident85.6Confident79 Ų7963 Ų6334%0.34333%0.331SS..G310 helixtrans-63.7-34-177.3-68.3-171.1169.6-169.70111.9P570 A571 D573 D574 I576 A581 G582P570-K579 WeakPolarHBondContact O-CG 3.47Å; A571-K579 PolarHBondContact O-NZ 2.81Å; D573-K579 WeakPolarHBondContact O-CE 3.42Å; D574-K579 IonicContact OD1-NZ 3.95Å; D574-K579 PolarHBondContact OD1-NZ 3.03Å; I576-K579 HydrophobicContact CG2-CB 4.26Å; I576-K579 HydrophobicContact CG2-CG 3.53Å; K579-A581 VanDerWaalsContact C-N 3.28Å; K579-A581 PolarHBondContact O-N 3.02Å; K579-G582 PolarHBondContact O-N 2.86Å
580E82Confident85.7Confident121 Ų12162.8 Ų62.857%0.56533%0.329SS*.G310 helixtrans-72.9-15.7176.4-52.5103.5119.500114.3R525 C578R525-E580 IonicContact CZ-OE1 3.13Å; R525-E580 IonicContact NH1-OE1 2.66Å; R525-E580 IonicContact NH2-OE1 2.76Å; R525-E580 PolarHBondContact NH2-OE1 2.91Å; C578-E580 VanDerWaalsContact C-N 3.28Å; C578-E580 PolarHBondContact O-N 2.8Å; C578-E580 PolarHBondContact SG-OE2 2.84Å; C578-E580 VanDerWaalsContact SG-OE2 3.37Å
581A83.1Confident85.9Confident20 Ų2062.3 Ų62.317%0.16533%0.327CS..G310 helixtrans-87.3-11.1174.300000113C578 K579 G615 L616C578-A581 HydrophobicContact CB-CB 3.93Å; C578-A581 PolarHBondContact O-N 2.94Å; C578-A581 VanDerWaalsContact O-N 3.11Å; K579-A581 VanDerWaalsContact C-N 3.28Å; K579-A581 PolarHBondContact O-N 3.02Å; A581-G615 CarbonylContact O-C 3.55Å; A581-G615 VanDerWaalsContact O-CA 3.31Å; A581-G615 WeakPolarHBondContact O-CA 3.11Å; A581-L616 HydrophobicContact CB-CD1 4.07Å; A581-L616 HydrophobicContact CB-CG 4.14Å; A581-L616 PolarHBondContact O-N 3.38Å
582G87.8Confident86.1Confident18 Ų1860.8 Ų60.819%0.18631%0.308CS..BIsolated β-bridgetrans-78.7143.7-175.200000114.4I576 K579 L616I576-G582 VanDerWaalsContact CD1-CA 3.43Å; K579-G582 PolarHBondContact O-N 2.86Å; G582-L616 WeakPolarHBondContact CA-O 3.13Å
583I90.8Very high86.4Confident28 Ų2853.7 Ų53.714%0.14428%0.278CS..PPolyproline II helixtrans-96.6116.4173.2-64.1176.8000109.6Y568 F585 G604 L606 L616 I617Y568-I583 VanDerWaalsContact CD1-O 3.23Å; Y568-I583 WeakPolarHBondContact CD1-O 3.45Å; I583-F585 WeakPolarHBondContact O-CD1 3.05Å; I583-G604 WeakPolarHBondContact CD1-O 3.31Å; I583-L606 HydrophobicContact CG2-CD1 3.65Å; I583-L606 HydrophobicContact CG2-CG 3.88Å; I583-L616 PolarHBondContact N-O 2.81Å; I583-I617 HydrophobicContact CB-CG2 3.96Å
584R92.9Very high86.6Confident137 Ų13755.8 Ų55.852%0.51729%0.289SS..PPolyproline II helixtrans-71133.3166.8-170.2-168.5-171.296.220.8110.1Y568 D569Y568-R584 WeakPolarHBondContact O-CA 3.48Å; Y568-R584 VanDerWaalsContact O-CG 3.25Å; Y568-R584 WeakPolarHBondContact O-CG 3.44Å; D569-R584 VanDerWaalsContact CG-NH2 3.28Å; D569-R584 IonicContact OD1-CZ 2.69Å; D569-R584 IonicContact OD1-NH1 2.65Å; D569-R584 PolarHBondContact OD1-NH1 2.93Å; D569-R584 IonicContact OD1-NH2 2.72Å; D569-R584 IonicContact OD2-CZ 2.69Å; D569-R584 IonicContact OD2-NH1 2.69Å; D569-R584 PolarHBondContact OD2-NH1 3.29Å; D569-R584 IonicContact OD2-NH2 3.82Å; D569-R584 PolarHBondContact OD2-NH2 2.89Å
585F93.3Very high86.8Confident4 Ų449.8 Ų49.82%0.01826%0.257CS..BIsolated β-bridgetrans-146.6166.2173.959.4-102.1000111.9A564 F566 Y568 I583 D589 I591 L606 I617 Y673A564-F585 HydrophobicContact CB-CD2 3.45Å; A564-F585 VanDerWaalsContact CB-CD2 3.45Å; A564-F585 HydrophobicContact CB-CE2 3.59Å; A564-F585 HydrophobicContact CB-CG 4.37Å; F566-F585 HydrophobicContact CD2-CE2 4.13Å; F566-F585 HydrophobicContact CD2-CZ 4.44Å; F566-F585 HydrophobicContact CE1-CE2 4.21Å; F566-F585 HydrophobicContact CE1-CZ 4.25Å; F566-F585 AromaticContact CE2-CE2 3.81Å; F566-F585 HydrophobicContact CE2-CE2 3.81Å; F566-F585 AromaticContact CE2-CZ 3.67Å; F566-F585 HydrophobicContact CE2-CZ 3.67Å; F566-F585 HydrophobicContact CG-CE2 4.49Å; F566-F585 AromaticContact CZ-CE2 3.85Å; F566-F585 HydrophobicContact CZ-CE2 3.85Å; F566-F585 AromaticContact CZ-CZ 3.56Å; F566-F585 HydrophobicContact CZ-CZ 3.56Å; F566-F585 WeakPolarHBondContact O-CE2 3.45Å; Y568-F585 HydrophobicContact CD1-CD1 4.06Å; Y568-F585 AromaticContact CD1-CE1 3.55Å; Y568-F585 HydrophobicContact CD1-CE1 3.55Å; Y568-F585 HydrophobicContact CD1-CZ 4.08Å; Y568-F585 AromaticContact CG-CE1 3.91Å; Y568-F585 HydrophobicContact CG-CE1 3.91Å; Y568-F585 AromaticContact CG-CZ 3.96Å; Y568-F585 HydrophobicContact CG-CZ 3.96Å; Y568-F585 PolarHBondContact N-O 3.04Å; Y568-F585 PolarHBondContact O-N 2.85Å; Y568-F585 VanDerWaalsContact O-N 3.14Å; I583-F585 WeakPolarHBondContact O-CD1 3.05Å; F585-D589 WeakPolarHBondContact CA-OD2 3.26Å; F585-D589 HydrophobicContact CB-CB 4.11Å; F585-I591 HydrophobicContact CB-CD1 4.34Å; F585-I591 HydrophobicContact CD1-CD1 3.7Å; F585-I591 HydrophobicContact CD2-CD1 4.29Å; F585-I591 HydrophobicContact CE1-CD1 3.97Å; F585-I591 HydrophobicContact CG-CD1 3.87Å; F585-I591 HydrophobicContact CZ-CD1 4.38Å; F585-L606 HydrophobicContact CB-CD2 4.22Å; F585-I617 HydrophobicContact CD1-CG2 4.13Å; F585-I617 HydrophobicContact CE1-CB 4.02Å; F585-I617 HydrophobicContact CE1-CG2 3.78Å; F585-Y673 HydrophobicContact CE2-CE1 4.28Å; F585-Y673 AromaticContact CZ-CE1 3.91Å; F585-Y673 HydrophobicContact CZ-CE1 3.91Å; F585-Y673 AromaticContact CZ-CZ 3.94Å; F585-Y673 VanDerWaalsContact CZ-OH 3.29Å; F585-Y673 WeakPolarHBondContact CZ-OH 3.47Å
586R91.4Very high86.9Confident160 Ų16049.5 Ų49.560%0.60425%0.252SS*.  trans-117.8169.3176.3-62.8-174.3-177.4168.4-0.1111.6F566 E567 G588 D589F566-R586 CarbonylContact O-C 3.53Å; E567-R586 HydrophobicContact CG-CB 4.4Å; E567-R586 WeakPolarHBondContact OE1-CG 3.48Å; R586-G588 PolarHBondContact O-N 2.84Å; R586-D589 PolarHBondContact N-OD2 3.05Å; R586-D589 WeakPolarHBondContact O-CB 3.42Å; R586-D589 PolarHBondContact O-N 3.42Å; R586-D589 VanDerWaalsContact O-N 3.15Å
587V89.3Confident86.4Confident50 Ų5055.5 Ų55.530%0.30329%0.285SS..THydrogen-bonded Turntrans-51.6130.1166.8-179.30000109.8F566 E567 H833F566-V587 PolarHBondContact O-N 2.82Å; E567-V587 HydrophobicContact CG-CG2 3.96Å; V587-H833 HydrophobicContact CG1-CB 4.25Å
588G87.8Confident86.2Confident37 Ų3753.3 Ų53.338%0.38127%0.268SS..THydrogen-bonded Turntrans90-13.7179.600000115.5A564 R586A564-G588 PolarHBondContact O-N 3.47Å; R586-G588 PolarHBondContact O-N 2.84Å
589D92.1Very high85.5Confident50 Ų5057 Ų5727%0.26728%0.283SS..  trans-62.7141.7177.1-88-37.8000111.7R563 A564 F585 R586 L606R563-D589 WeakPolarHBondContact CA-O 3.48Å; A564-D589 PolarHBondContact N-O 3.19Å; F585-D589 WeakPolarHBondContact CA-OD2 3.26Å; F585-D589 HydrophobicContact CB-CB 4.11Å; R586-D589 PolarHBondContact N-OD2 3.05Å; R586-D589 WeakPolarHBondContact O-CB 3.42Å; R586-D589 PolarHBondContact O-N 3.42Å; R586-D589 VanDerWaalsContact O-N 3.15Å; D589-L606 HydrophobicContact CB-CD2 3.79Å
590I93.6Very high85Confident20 Ų2057 Ų5710%0.10329%0.287CS..EExtended strand (participates in β ladder)trans-100.7122.2179.6-50.7-55.8000110.5Y561 V562 R563 E607 V676 W864Y561-I590 HydrophobicContact CD1-CG2 4.18Å; V562-I590 WeakPolarHBondContact O-CA 3.27Å; R563-I590 HydrophobicContact CB-CD1 3.84Å; R563-I590 HydrophobicContact CG-CD1 4.23Å; I590-E607 HydrophobicContact CB-CB 4.34Å; I590-E607 HydrophobicContact CG2-CB 4.33Å; I590-E607 PolarHBondContact O-N 2.96Å; I590-V676 HydrophobicContact CD1-CG2 4.3Å; I590-V676 HydrophobicContact CG2-CG2 4.46Å; I590-W864 HydrophobicContact CD1-CB 4.21Å; I590-W864 HydrophobicContact CD1-CG 4.11Å; I590-W864 HydrophobicContact CG1-CD2 4.33Å; I590-W864 HydrophobicContact CG1-CG 4.03Å; I590-W864 HydrophobicContact CG2-CD2 4.02Å; I590-W864 HydrophobicContact CG2-CE3 4.26Å; I590-W864 HydrophobicContact CG2-CH2 4.12Å; I590-W864 HydrophobicContact CG2-CZ2 3.86Å; I590-W864 HydrophobicContact CG2-CZ3 4.31Å
591I93.9Very high85Confident0 Ų051.8 Ų51.80%026%0.262CS..EExtended strand (participates in β ladder)trans-119.2122.8-175.5-52.2166.9000108.8Y561 V562 A564 F585 I593 K605 L606 I617 Y673Y561-I591 WeakPolarHBondContact CA-O 3.48Å; V562-I591 HydrophobicContact CG2-CB 4.05Å; V562-I591 PolarHBondContact N-O 3.15Å; V562-I591 PolarHBondContact O-N 2.93Å; A564-I591 HydrophobicContact CB-CD1 4.26Å; F585-I591 HydrophobicContact CB-CD1 4.34Å; F585-I591 HydrophobicContact CD1-CD1 3.7Å; F585-I591 HydrophobicContact CD2-CD1 4.29Å; F585-I591 HydrophobicContact CE1-CD1 3.97Å; F585-I591 HydrophobicContact CG-CD1 3.87Å; F585-I591 HydrophobicContact CZ-CD1 4.38Å; I591-I593 HydrophobicContact CG2-CD1 4.25Å; I591-K605 CarbonylContact C-O 3.59Å; I591-K605 WeakPolarHBondContact CA-O 3.35Å; I591-L606 HydrophobicContact CG1-CD2 3.83Å; I591-I617 HydrophobicContact CD1-CD1 4.49Å; I591-I617 HydrophobicContact CG2-CD1 4.03Å; I591-Y673 HydrophobicContact CD1-CE1 4.02Å
592Q93.1Very high85.3Confident33 Ų3351.9 Ų51.915%0.15426%0.259CS..EExtended strand (participates in β ladder)trans-74.9128.1165.6-169.6-179.54100108.8Y561 I594 G604 K605Y561-Q592 HydrophobicContact CD1-CB 3.92Å; Y561-Q592 HydrophobicContact CD1-CG 4.25Å; Y561-Q592 HydrophobicContact CE1-CB 3.64Å; Y561-Q592 HydrophobicContact CE1-CG 3.8Å; Y561-Q592 HydrophobicContact CE2-CG 4.47Å; Y561-Q592 PolarHBondContact OH-NE2 3.39Å; Q592-I594 HydrophobicContact CB-CD1 4.41Å; Q592-I594 HydrophobicContact CG-CD1 3.92Å; Q592-G604 CarbonylContact O-C 3.47Å; Q592-G604 VanDerWaalsContact O-CA 3.25Å; Q592-G604 WeakPolarHBondContact O-CA 3.5Å; Q592-K605 PolarHBondContact N-O 3.14Å; Q592-K605 PolarHBondContact O-N 2.89Å
593I91.5Very high85.4Confident16 Ų1651.6 Ų51.68%0.08225%0.252CS..EExtended strand (participates in β ladder)trans-88.8126.1173.8-52.7-53.6000109.2I560 V562 I591 K596 W602 I617I560-I593 HydrophobicContact CB-CB 4.29Å; I560-I593 HydrophobicContact CG2-CB 4.35Å; I560-I593 HydrophobicContact CG2-CG1 4.18Å; I560-I593 PolarHBondContact O-N 3.48Å; V562-I593 HydrophobicContact CG1-CG1 4.16Å; V562-I593 HydrophobicContact CG2-CD1 3.81Å; V562-I593 HydrophobicContact CG2-CG1 4.23Å; I591-I593 HydrophobicContact CG2-CD1 4.25Å; I593-K596 HydrophobicContact CG2-CD 4.38Å; I593-K596 HydrophobicContact CG2-CG 3.72Å; I593-W602 HydrophobicContact CD1-CE3 3.9Å; I593-W602 HydrophobicContact CD1-CZ3 4.38Å; I593-W602 HydrophobicContact CG1-CE3 4.22Å; I593-W602 HydrophobicContact CG1-CZ3 4.39Å; I593-W602 HydrophobicContact CG2-CE3 4.12Å; I593-I617 HydrophobicContact CD1-CD1 3.71Å
594I86Confident85.4Confident56 Ų5650.2 Ų50.229%0.28725%0.245SC..EExtended strand (participates in β ladder)trans-102.1-42.4-176.6-48.5-59.4000110.9H488 Q592 Q603 K605 A614H488-I594 HydrophobicContact CB-CG2 3.74Å; Q592-I594 HydrophobicContact CB-CD1 4.41Å; Q592-I594 HydrophobicContact CG-CD1 3.92Å; I594-Q603 WeakPolarHBondContact CA-O 3.06Å; I594-Q603 HydrophobicContact CB-CB 4.46Å; I594-Q603 WeakPolarHBondContact CB-O 3.41Å; I594-Q603 PolarHBondContact N-O 2.9Å; I594-K605 HydrophobicContact CD1-CB 4.42Å; I594-K605 HydrophobicContact CG1-CB 4.4Å; I594-A614 HydrophobicContact CB-CB 4.4Å; I594-A614 HydrophobicContact CG1-CB 4.2Å; I594-A614 HydrophobicContact CG2-CB 4.44Å
595S80.1Confident85.3Confident12 Ų1246.1 Ų46.18%0.08423%0.231CC..EExtended strand (participates in β ladder)trans-149.1146.3176.3145.90000111.1D597 Q603S595-D597 WeakPolarHBondContact CB-OD2 3.49Å; S595-D597 VanDerWaalsContact OG-CG 3.22Å; S595-D597 PolarHBondContact OG-N 2.92Å; S595-D597 PolarHBondContact OG-OD2 2.92Å; S595-Q603 PolarHBondContact N-O 2.75Å; S595-Q603 VanDerWaalsContact N-O 3.13Å; S595-Q603 PolarHBondContact O-N 3.35Å
596K78.8Confident85.1Confident86 Ų8647.8 Ų47.837%0.37424%0.24SC..  trans-119.919.9176.3-59.7-171.8176.2-1710112I593 D598 W602I593-K596 HydrophobicContact CG2-CD 4.38Å; I593-K596 HydrophobicContact CG2-CG 3.72Å; K596-D598 PolarHBondContact O-N 3.48Å; K596-W602 HydrophobicContact CB-CD2 4.42Å; K596-W602 HydrophobicContact CB-CG 4.46Å; K596-W602 HydrophobicContact CD-CD2 4.2Å; K596-W602 HydrophobicContact CD-CE3 4.3Å; K596-W602 HydrophobicContact CD-CH2 3.86Å; K596-W602 HydrophobicContact CD-CZ2 3.7Å; K596-W602 HydrophobicContact CD-CZ3 4.15Å; K596-W602 VanDerWaalsContact CE-CH2 3.47Å; K596-W602 VanDerWaalsContact CE-CZ3 3.47Å; K596-W602 HydrophobicContact CG-CD2 3.82Å; K596-W602 HydrophobicContact CG-CE3 4.18Å; K596-W602 HydrophobicContact CG-CG 4.2Å; K596-W602 HydrophobicContact CG-CZ2 4.19Å; K596-W602 VanDerWaalsContact NZ-CH2 3.35Å
597D71.8Confident84.9Confident139 Ų13943.2 Ų43.274%0.74323%0.226SC*.  trans-76.6-8.8-167.6-46.6-46.4000113.5S595S595-D597 WeakPolarHBondContact CB-OD2 3.49Å; S595-D597 VanDerWaalsContact OG-CG 3.22Å; S595-D597 PolarHBondContact OG-N 2.92Å; S595-D597 PolarHBondContact OG-OD2 2.92Å
598D68.8Low84.3Confident31 Ų3147.3 Ų47.317%0.16625%0.246CC..SBendtrans-111123.3165.7178.6-24.9000108.2R485 K596 N600 W601R485-D598 IonicContact CZ-OD2 2.67Å; R485-D598 IonicContact NE-OD2 3.49Å; R485-D598 IonicContact NH2-OD2 3.56Å; R485-D598 PolarHBondContact NH2-OD2 3.3Å; K596-D598 PolarHBondContact O-N 3.48Å; D598-N600 PolarHBondContact O-N 2.89Å; D598-N600 WeakPolarHBondContact OD1-CA 3.38Å; D598-N600 WeakPolarHBondContact OD1-CB 3.44Å; D598-N600 PolarHBondContact OD1-N 2.81Å; D598-W601 HydrophobicContact CB-CB 4.46Å; D598-W601 PolarHBondContact O-N 3.34Å; D598-W601 PolarHBondContact OD1-N 3.46Å; D598-W601 VanDerWaalsContact OD1-N 3.12Å
599H65.1Low83.7Confident99 Ų9948 Ų4846%0.45824%0.244SC..SBendtrans-62.7-19.5-179.3-69.9-68.1000114.4S619H599-S619 WeakPolarHBondContact O-CB 3.39Å; H599-S619 PolarHBondContact O-OG 2.88Å
600N71.7Confident82.1Confident81 Ų8154.9 Ų54.943%0.43327%0.272SS..SBendtrans-106.4-32.1-178.4-66.2-8.5000112.2D598 S619 L622D598-N600 PolarHBondContact O-N 2.89Å; D598-N600 WeakPolarHBondContact OD1-CA 3.38Å; D598-N600 WeakPolarHBondContact OD1-CB 3.44Å; D598-N600 PolarHBondContact OD1-N 2.81Å; N600-S619 WeakPolarHBondContact CA-OG 3.18Å; N600-S619 PolarHBondContact O-N 3.31Å; N600-S619 PolarHBondContact O-OG 2.92Å; N600-L622 HydrophobicContact CB-CD2 4.26Å; N600-L622 VanDerWaalsContact O-CD2 3.26Å; N600-L622 WeakPolarHBondContact O-CD2 3.46Å
601W82.4Confident80.3Confident11 Ų1161.8 Ų61.84%0.04231%0.309CS..EExtended strand (participates in β ladder)trans-13285.8-168.9-67.6105.3000113.2Y568 D573 L575 I576 P577 D598 L616 I617 P618 L622Y568-W601 WeakPolarHBondContact OH-CH2 3.34Å; D573-W601 WeakPolarHBondContact OD2-CH2 2.81Å; L575-W601 HydrophobicContact CB-CZ2 4.44Å; L575-W601 WeakPolarHBondContact O-CZ2 3.29Å; I576-W601 VanDerWaalsContact CA-CZ2 3.42Å; I576-W601 HydrophobicContact CB-CH2 3.59Å; I576-W601 HydrophobicContact CB-CZ2 3.83Å; I576-W601 HydrophobicContact CB-CZ3 4.13Å; I576-W601 HydrophobicContact CD1-CH2 4.32Å; I576-W601 HydrophobicContact CD1-CZ3 3.99Å; I576-W601 HydrophobicContact CG1-CD2 4.49Å; I576-W601 HydrophobicContact CG1-CE3 4.14Å; I576-W601 HydrophobicContact CG1-CH2 3.75Å; I576-W601 HydrophobicContact CG1-CZ2 4.13Å; I576-W601 HydrophobicContact CG1-CZ3 3.75Å; P577-W601 HydrophobicContact CG-CG 4.44Å; D598-W601 HydrophobicContact CB-CB 4.46Å; D598-W601 PolarHBondContact O-N 3.34Å; D598-W601 PolarHBondContact OD1-N 3.46Å; D598-W601 VanDerWaalsContact OD1-N 3.12Å; W601-L616 HydrophobicContact CB-CD2 4.34Å; W601-L616 HydrophobicContact CE3-CB 4.01Å; W601-I617 WeakPolarHBondContact CA-O 3.41Å; W601-P618 HydrophobicContact CH2-CB 4.4Å; W601-P618 HydrophobicContact CZ3-CB 4.16Å; W601-L622 HydrophobicContact CD2-CD2 4.15Å; W601-L622 HydrophobicContact CH2-CD2 3.87Å; W601-L622 HydrophobicContact CZ2-CD2 3.36Å; W601-L622 HydrophobicContact CZ3-CD2 4.45Å
602W89.3Confident78.7Confident22 Ų2263.1 Ų63.18%0.08332%0.323CS..EExtended strand (participates in β ladder)trans-67.5145.6176.2-686.9000110.7I593 K596 L616 I617 P620I593-W602 HydrophobicContact CD1-CE3 3.9Å; I593-W602 HydrophobicContact CD1-CZ3 4.38Å; I593-W602 HydrophobicContact CG1-CE3 4.22Å; I593-W602 HydrophobicContact CG1-CZ3 4.39Å; I593-W602 HydrophobicContact CG2-CE3 4.12Å; K596-W602 HydrophobicContact CB-CD2 4.42Å; K596-W602 HydrophobicContact CB-CG 4.46Å; K596-W602 HydrophobicContact CD-CD2 4.2Å; K596-W602 HydrophobicContact CD-CE3 4.3Å; K596-W602 HydrophobicContact CD-CH2 3.86Å; K596-W602 HydrophobicContact CD-CZ2 3.7Å; K596-W602 HydrophobicContact CD-CZ3 4.15Å; K596-W602 VanDerWaalsContact CE-CH2 3.47Å; K596-W602 VanDerWaalsContact CE-CZ3 3.47Å; K596-W602 HydrophobicContact CG-CD2 3.82Å; K596-W602 HydrophobicContact CG-CE3 4.18Å; K596-W602 HydrophobicContact CG-CG 4.2Å; K596-W602 HydrophobicContact CG-CZ2 4.19Å; K596-W602 VanDerWaalsContact NZ-CH2 3.35Å; W602-L616 WeakPolarHBondContact O-CA 3.23Å; W602-I617 HydrophobicContact CB-CD1 4.34Å; W602-I617 HydrophobicContact CB-CG1 3.89Å; W602-I617 PolarHBondContact N-O 2.86Å; W602-I617 PolarHBondContact O-N 2.85Å; W602-P620 HydrophobicContact CH2-CG 3.43Å; W602-P620 VanDerWaalsContact CH2-CG 3.43Å; W602-P620 HydrophobicContact CZ2-CG 3.76Å; W602-P620 HydrophobicContact CZ3-CG 4.03Å
603Q89.3Confident77.6Confident11 Ų1164.8 Ų64.85%0.05134%0.336CS..EExtended strand (participates in β ladder)trans-89.5116.2169.6-58.2-160.346.400108.6I486 M487 I594 S595 A614 G615 L616I486-Q603 PolarHBondContact O-NE2 3.45Å; M487-Q603 HydrophobicContact CE-CG 4.49Å; I594-Q603 WeakPolarHBondContact CA-O 3.06Å; I594-Q603 HydrophobicContact CB-CB 4.46Å; I594-Q603 WeakPolarHBondContact CB-O 3.41Å; I594-Q603 PolarHBondContact N-O 2.9Å; S595-Q603 PolarHBondContact N-O 2.75Å; S595-Q603 VanDerWaalsContact N-O 3.13Å; S595-Q603 PolarHBondContact O-N 3.35Å; Q603-A614 HydrophobicContact CB-CB 4.2Å; Q603-G615 WeakPolarHBondContact CA-O 3.32Å; Q603-L616 HydrophobicContact CG-CD2 4.35Å
604G90.8Very high77.3Confident0 Ų064.4 Ų64.40%034%0.335CS..EExtended strand (participates in β ladder)trans-123.1175.9-18000000113.1I583 Q592 A614 G615I583-G604 WeakPolarHBondContact CD1-O 3.31Å; Q592-G604 CarbonylContact O-C 3.47Å; Q592-G604 VanDerWaalsContact O-CA 3.25Å; Q592-G604 WeakPolarHBondContact O-CA 3.5Å; G604-A614 WeakPolarHBondContact O-CA 3.14Å; G604-G615 PolarHBondContact N-O 2.83Å; G604-G615 PolarHBondContact O-N 3.43Å
605K90.5Very high77.4Confident51 Ų5162.1 Ų62.122%0.22233%0.325CS..EExtended strand (participates in β ladder)trans-150.4130.3170.8178.2169.1175.9166.70110.3I591 Q592 I594 E607 S609 G612I591-K605 CarbonylContact C-O 3.59Å; I591-K605 WeakPolarHBondContact CA-O 3.35Å; Q592-K605 PolarHBondContact N-O 3.14Å; Q592-K605 PolarHBondContact O-N 2.89Å; I594-K605 HydrophobicContact CD1-CB 4.42Å; I594-K605 HydrophobicContact CG1-CB 4.4Å; K605-E607 PolarHBondContact O-N 3.03Å; K605-S609 WeakPolarHBondContact CE-O 3.42Å; K605-G612 VanDerWaalsContact CE-O 3.32Å; K605-G612 WeakPolarHBondContact CE-O 3.38Å; K605-G612 PolarHBondContact NZ-O 3.21Å
606L90.7Very high77.8Confident39 Ų3961.5 Ų61.520%0.20432%0.321CS..EExtended strand (participates in β ladder)trans-65.4128.7172-75.7163000110.3I583 F585 D589 I591 N608 S609I583-L606 HydrophobicContact CG2-CD1 3.65Å; I583-L606 HydrophobicContact CG2-CG 3.88Å; F585-L606 HydrophobicContact CB-CD2 4.22Å; D589-L606 HydrophobicContact CB-CD2 3.79Å; I591-L606 HydrophobicContact CG1-CD2 3.83Å; L606-N608 PolarHBondContact O-N 3.27Å; L606-S609 VanDerWaalsContact O-CB 3.27Å; L606-S609 WeakPolarHBondContact O-CB 3.44Å; L606-S609 PolarHBondContact O-N 3.36Å
607E86.1Confident78.5Confident64 Ų6457.4 Ų57.430%0.29930%0.303SS..THydrogen-bonded Turntrans-54.7-36.1-179169.178.9161.600112Y561 I590 K605 S609 K678 W864Y561-E607 WeakPolarHBondContact CE1-OE2 3.4Å; I590-E607 HydrophobicContact CB-CB 4.34Å; I590-E607 HydrophobicContact CG2-CB 4.33Å; I590-E607 PolarHBondContact O-N 2.96Å; K605-E607 PolarHBondContact O-N 3.03Å; E607-S609 VanDerWaalsContact C-N 3.27Å; E607-S609 PolarHBondContact O-N 3.43Å; E607-K678 IonicContact OE1-NZ 3.58Å; E607-K678 PolarHBondContact OE1-NZ 2.66Å; E607-K678 VanDerWaalsContact OE1-NZ 3.12Å; E607-W864 HydrophobicContact CG-CZ2 4.14Å
608N77.6Confident79.3Confident135 Ų13550.8 Ų50.872%0.72227%0.268SS*.THydrogen-bonded Turntrans-75.9-9.5178.7-66.5-35.5000113.9L606 K610L606-N608 PolarHBondContact O-N 3.27Å; N608-K610 PolarHBondContact O-N 3.44Å; N608-K610 VanDerWaalsContact O-N 3.15Å
609S75.4Confident80Confident51 Ų5149.3 Ų49.336%0.35726%0.26SS..  trans-84.887-177.7-172.90000111.8K605 L606 E607 N611K605-S609 WeakPolarHBondContact CE-O 3.42Å; L606-S609 VanDerWaalsContact O-CB 3.27Å; L606-S609 WeakPolarHBondContact O-CB 3.44Å; L606-S609 PolarHBondContact O-N 3.36Å; E607-S609 VanDerWaalsContact C-N 3.27Å; E607-S609 PolarHBondContact O-N 3.43Å; S609-N611 PolarHBondContact O-N 3.26Å
610K58.3Low80.7Confident195 Ų19545.7 Ų45.785%0.84825%0.245SC*.THydrogen-bonded Turntrans-57.8-15.4-168.5-67-170.9178-178.30116.7N608N608-K610 PolarHBondContact O-N 3.44Å; N608-K610 VanDerWaalsContact O-N 3.15Å
611N55.2Low80.6Confident165 Ų16546.5 Ų46.588%0.88225%0.246SC*.THydrogen-bonded Turntrans-151.922.8177-102.9-21.8000115.8S609S609-N611 PolarHBondContact O-N 3.26Å
612G60.4Low80.2Confident29 Ų2946.7 Ų46.730%0.29925%0.248SC..PPolyproline II helixtrans-67.9144.9175.200000113.8K605K605-G612 VanDerWaalsContact CE-O 3.32Å; K605-G612 WeakPolarHBondContact CE-O 3.38Å; K605-G612 PolarHBondContact NZ-O 3.21Å
613T69.8Low79.7Confident68 Ų6846.6 Ų46.642%0.41725%0.248SC..PPolyproline II helixtrans-63.4165.2156.248.70000110.1
614A84.6Confident78.7Confident8 Ų849.8 Ų49.87%0.06626%0.263CS..PPolyproline II helixtrans-63.4145.816800000110.6M487 H488 I594 Q603 G604M487-A614 VanDerWaalsContact CE-O 3.3Å; M487-A614 WeakPolarHBondContact CE-O 3.38Å; H488-A614 HydrophobicContact CB-CB 4.07Å; H488-A614 WeakPolarHBondContact O-CB 2.98Å; H488-A614 PolarHBondContact O-N 2.87Å; I594-A614 HydrophobicContact CB-CB 4.4Å; I594-A614 HydrophobicContact CG1-CB 4.2Å; I594-A614 HydrophobicContact CG2-CB 4.44Å; Q603-A614 HydrophobicContact CB-CB 4.2Å; G604-A614 WeakPolarHBondContact O-CA 3.14Å
615G87.8Confident77.5Confident7 Ų755.1 Ų55.17%0.07228%0.284CS..EExtended strand (participates in β ladder)trans-137.9165.2179.100000111.2A581 Q603 G604A581-G615 CarbonylContact O-C 3.55Å; A581-G615 VanDerWaalsContact O-CA 3.31Å; A581-G615 WeakPolarHBondContact O-CA 3.11Å; Q603-G615 WeakPolarHBondContact CA-O 3.32Å; G604-G615 PolarHBondContact N-O 2.83Å; G604-G615 PolarHBondContact O-N 3.43Å
616L90.3Very high76.4Confident0 Ų054.1 Ų54.10%028%0.278CS..EExtended strand (participates in β ladder)trans-80.3133.5-173.9-56.2-178.2000111.3M487 I576 A581 G582 I583 W601 W602 Q603M487-L616 HydrophobicContact CE-CD2 3.79Å; M487-L616 HydrophobicContact CE-CG 4.1Å; M487-L616 HydrophobicContact SD-CD2 4.13Å; I576-L616 HydrophobicContact CD1-CB 4.19Å; I576-L616 HydrophobicContact CG1-CD1 4.26Å; A581-L616 HydrophobicContact CB-CD1 4.07Å; A581-L616 HydrophobicContact CB-CG 4.14Å; A581-L616 PolarHBondContact O-N 3.38Å; G582-L616 WeakPolarHBondContact CA-O 3.13Å; I583-L616 PolarHBondContact N-O 2.81Å; W601-L616 HydrophobicContact CB-CD2 4.34Å; W601-L616 HydrophobicContact CE3-CB 4.01Å; W602-L616 WeakPolarHBondContact O-CA 3.23Å; Q603-L616 HydrophobicContact CG-CD2 4.35Å
617I92.4Very high75.1Confident0 Ų054.9 Ų54.90%028%0.284CS..EExtended strand (participates in β ladder)trans-124149.8164.664.9-179.4000108.1I583 F585 I591 I593 W601 W602 S619 Y673I583-I617 HydrophobicContact CB-CG2 3.96Å; F585-I617 HydrophobicContact CD1-CG2 4.13Å; F585-I617 HydrophobicContact CE1-CB 4.02Å; F585-I617 HydrophobicContact CE1-CG2 3.78Å; I591-I617 HydrophobicContact CD1-CD1 4.49Å; I591-I617 HydrophobicContact CG2-CD1 4.03Å; I593-I617 HydrophobicContact CD1-CD1 3.71Å; W601-I617 WeakPolarHBondContact CA-O 3.41Å; W602-I617 HydrophobicContact CB-CD1 4.34Å; W602-I617 HydrophobicContact CB-CG1 3.89Å; W602-I617 PolarHBondContact N-O 2.86Å; W602-I617 PolarHBondContact O-N 2.85Å; I617-S619 PolarHBondContact O-N 2.84Å; I617-Y673 HydrophobicContact CD1-CE1 4.46Å
618P89.1Confident73.7Confident0 Ų054.2 Ų54.20%029%0.29CS..EExtended strand (participates in β ladder)trans-61.3141.1170.427.7-34.9000109.2F566 Y568 W601 L622 Y673F566-P618 HydrophobicContact CE2-CG 4.07Å; F566-P618 HydrophobicContact CZ-CG 3.97Å; Y568-P618 HydrophobicContact CD1-CG 4.36Å; Y568-P618 HydrophobicContact CD2-CG 4.23Å; Y568-P618 HydrophobicContact CE1-CG 4.45Å; Y568-P618 HydrophobicContact CE2-CG 4.36Å; Y568-P618 HydrophobicContact CG-CG 4.26Å; W601-P618 HydrophobicContact CH2-CB 4.4Å; W601-P618 HydrophobicContact CZ3-CB 4.16Å; P618-L622 HydrophobicContact CB-CB 4.3Å; P618-L622 HydrophobicContact CB-CD2 3.89Å; P618-L622 HydrophobicContact CB-CG 4.16Å; P618-Y673 VanDerWaalsContact O-CE2 3.27Å; P618-Y673 WeakPolarHBondContact O-CE2 3.46Å; P618-Y673 PolarHBondContact O-OH 2.83Å
619S83.3Confident72.8Confident0 Ų049.7 Ų49.70%027%0.269CS..  trans-64.4162.916866.40000111.2H599 N600 I617 E621 L622 Q623H599-S619 WeakPolarHBondContact O-CB 3.39Å; H599-S619 PolarHBondContact O-OG 2.88Å; N600-S619 WeakPolarHBondContact CA-OG 3.18Å; N600-S619 PolarHBondContact O-N 3.31Å; N600-S619 PolarHBondContact O-OG 2.92Å; I617-S619 PolarHBondContact O-N 2.84Å; S619-E621 WeakPolarHBondContact CB-OE2 3.39Å; S619-E621 PolarHBondContact O-N 3.16Å; S619-E621 PolarHBondContact OG-OE2 2.92Å; S619-L622 PolarHBondContact O-N 3.49Å; S619-L622 WeakPolarHBondContact OG-CB 3.39Å; S619-L622 PolarHBondContact OG-N 3.01Å; S619-Q623 PolarHBondContact O-N 3.5Å
620P78.9Confident72.1Confident23 Ų2351.3 Ų51.315%0.14927%0.272CS..Hα-helixtrans-49.4-49.1167.3-22.529.5000111.4W602 L622 Q623 E624 T672 Y673W602-P620 HydrophobicContact CH2-CG 3.43Å; W602-P620 VanDerWaalsContact CH2-CG 3.43Å; W602-P620 HydrophobicContact CZ2-CG 3.76Å; W602-P620 HydrophobicContact CZ3-CG 4.03Å; P620-L622 VanDerWaalsContact C-N 3.34Å; P620-L622 PolarHBondContact O-N 3.37Å; P620-Q623 CarbonylContact O-C 3.58Å; P620-Q623 WeakPolarHBondContact O-CA 3.36Å; P620-Q623 PolarHBondContact O-N 3.5Å; P620-E624 WeakPolarHBondContact O-CG 3.48Å; P620-E624 PolarHBondContact O-N 2.7Å; P620-T672 HydrophobicContact CB-CG2 4.39Å; P620-Y673 HydrophobicContact CG-CD2 4.03Å
621E70.6Confident71.9Confident97 Ų9744.6 Ų44.645%0.45325%0.253SS..Hα-helixtrans-59.8-41.1-177-60.289.8156.100112.3S619 W625S619-E621 WeakPolarHBondContact CB-OE2 3.39Å; S619-E621 PolarHBondContact O-N 3.16Å; S619-E621 PolarHBondContact OG-OE2 2.92Å; E621-W625 PolarHBondContact O-N 3.09Å
622L73.6Confident71.5Confident15 Ų1542.1 Ų42.18%0.07924%0.238CC..Hα-helixtrans-70.4-32.2175.5-179.859.3000112.2N600 W601 P618 S619 P620 W625 R626N600-L622 HydrophobicContact CB-CD2 4.26Å; N600-L622 VanDerWaalsContact O-CD2 3.26Å; N600-L622 WeakPolarHBondContact O-CD2 3.46Å; W601-L622 HydrophobicContact CD2-CD2 4.15Å; W601-L622 HydrophobicContact CH2-CD2 3.87Å; W601-L622 HydrophobicContact CZ2-CD2 3.36Å; W601-L622 HydrophobicContact CZ3-CD2 4.45Å; P618-L622 HydrophobicContact CB-CB 4.3Å; P618-L622 HydrophobicContact CB-CD2 3.89Å; P618-L622 HydrophobicContact CB-CG 4.16Å; S619-L622 PolarHBondContact O-N 3.49Å; S619-L622 WeakPolarHBondContact OG-CB 3.39Å; S619-L622 PolarHBondContact OG-N 3.01Å; P620-L622 VanDerWaalsContact C-N 3.34Å; P620-L622 PolarHBondContact O-N 3.37Å; L622-W625 HydrophobicContact CD1-CE3 4.38Å; L622-R626 WeakPolarHBondContact O-CD 3.4Å; L622-R626 VanDerWaalsContact O-CG 3.28Å; L622-R626 WeakPolarHBondContact O-CG 3.41Å; L622-R626 PolarHBondContact O-N 3.4Å
623Q80.1Confident71Confident20 Ų2046.8 Ų46.89%0.09325%0.251CS..Hα-helixtrans-74.6-38176177.962.510.600112.5F566 S619 P620 W625 R626 V627 T672F566-Q623 HydrophobicContact CD1-CG 3.87Å; F566-Q623 VanDerWaalsContact CD2-CD 3.44Å; F566-Q623 HydrophobicContact CD2-CG 4.16Å; F566-Q623 VanDerWaalsContact CD2-NE2 3.28Å; F566-Q623 HydrophobicContact CE1-CB 4.26Å; F566-Q623 HydrophobicContact CE1-CG 3.63Å; F566-Q623 HydrophobicContact CE2-CB 4.48Å; F566-Q623 HydrophobicContact CE2-CG 3.88Å; F566-Q623 HydrophobicContact CG-CG 4.15Å; F566-Q623 HydrophobicContact CZ-CB 3.99Å; F566-Q623 HydrophobicContact CZ-CG 3.61Å; S619-Q623 PolarHBondContact O-N 3.5Å; P620-Q623 CarbonylContact O-C 3.58Å; P620-Q623 WeakPolarHBondContact O-CA 3.36Å; P620-Q623 PolarHBondContact O-N 3.5Å; Q623-W625 VanDerWaalsContact C-N 3.31Å; Q623-W625 PolarHBondContact O-N 2.71Å; Q623-R626 WeakPolarHBondContact O-CB 3.32Å; Q623-R626 PolarHBondContact O-N 2.8Å; Q623-V627 WeakPolarHBondContact O-CG2 3.39Å; Q623-V627 PolarHBondContact O-N 3.17Å; Q623-T672 HydrophobicContact CB-CG2 4.04Å; Q623-T672 HydrophobicContact CG-CG2 3.91Å
624E66.9Low70.1Confident78 Ų7849.6 Ų49.636%0.36426%0.258SS..Hα-helixtrans-57.9-45.7173.3-68.6177.8-171.200110.9P620 R626 V627 A628 L670 T672P620-E624 WeakPolarHBondContact O-CG 3.48Å; P620-E624 PolarHBondContact O-N 2.7Å; E624-R626 PolarHBondContact O-N 2.9Å; E624-V627 PolarHBondContact O-N 2.94Å; E624-A628 PolarHBondContact O-N 3.27Å; E624-L670 HydrophobicContact CB-CD2 4.42Å; E624-L670 HydrophobicContact CG-CB 4.44Å; E624-L670 HydrophobicContact CG-CD1 4.25Å; E624-L670 HydrophobicContact CG-CD2 4.13Å; E624-T672 HydrophobicContact CG-CG2 3.75Å
625W65.1Low68.4Low113 Ų11352.9 Ų52.943%0.42828%0.277SS..Hα-helixtrans-58.2-44.2175179.891.2000112.2L575 E621 L622 Q623 V627 A628 C629L575-W625 HydrophobicContact CD1-CE3 4.28Å; L575-W625 HydrophobicContact CD1-CH2 3.88Å; L575-W625 HydrophobicContact CD1-CZ3 3.41Å; L575-W625 VanDerWaalsContact CD1-CZ3 3.41Å; E621-W625 PolarHBondContact O-N 3.09Å; L622-W625 HydrophobicContact CD1-CE3 4.38Å; Q623-W625 VanDerWaalsContact C-N 3.31Å; Q623-W625 PolarHBondContact O-N 2.71Å; W625-V627 PolarHBondContact O-N 3.22Å; W625-A628 WeakPolarHBondContact O-CB 3.44Å; W625-A628 PolarHBondContact O-N 3.13Å; W625-C629 PolarHBondContact O-N 3.41Å; W625-C629 PolarHBondContact O-SG 3.31Å; W625-C629 VanDerWaalsContact O-SG 3.33Å
626R68Low66.2Low30 Ų3058.7 Ų58.711%0.11330%0.3CS..Hα-helixtrans-61-44.1177.1-71163.1-173.2-146.3-16.7112.7D573 L622 Q623 E624 A628 C629 I630D573-R626 IonicContact OD1-CZ 3.8Å; D573-R626 IonicContact OD1-NH1 2.77Å; D573-R626 IonicContact OD1-NH2 2.85Å; D573-R626 PolarHBondContact OD1-NH2 3.33Å; D573-R626 IonicContact OD2-CZ 3.96Å; D573-R626 IonicContact OD2-NH1 3.75Å; D573-R626 PolarHBondContact OD2-NH1 3.35Å; D573-R626 IonicContact OD2-NH2 3.62Å; D573-R626 PolarHBondContact OD2-NH2 3.33Å; L622-R626 WeakPolarHBondContact O-CD 3.4Å; L622-R626 VanDerWaalsContact O-CG 3.28Å; L622-R626 WeakPolarHBondContact O-CG 3.41Å; L622-R626 PolarHBondContact O-N 3.4Å; Q623-R626 WeakPolarHBondContact O-CB 3.32Å; Q623-R626 PolarHBondContact O-N 2.8Å; E624-R626 PolarHBondContact O-N 2.9Å; R626-A628 VanDerWaalsContact C-N 3.3Å; R626-A628 PolarHBondContact O-N 2.89Å; R626-C629 PolarHBondContact O-N 3.13Å; R626-I630 WeakPolarHBondContact O-CG1 3.48Å; R626-I630 PolarHBondContact O-N 3.23Å; R626-I630 VanDerWaalsContact O-N 3.11Å
627V64.3Low63.9Low54 Ų5465.2 Ų65.233%0.32733%0.331SS..Hα-helixtrans-63.7-39.1178.9173.50000110.6Q623 E624 W625 A631Q623-V627 WeakPolarHBondContact O-CG2 3.39Å; Q623-V627 PolarHBondContact O-N 3.17Å; E624-V627 PolarHBondContact O-N 2.94Å; W625-V627 PolarHBondContact O-N 3.22Å; V627-A631 PolarHBondContact O-N 3.08Å; V627-A631 VanDerWaalsContact O-N 3.16Å
628A56.8Low61.7Low50 Ų5072.2 Ų72.241%0.41336%0.364SS..Hα-helixtrans-62.6-48.5175.100000112.5E624 W625 R626 I630 A631 M632E624-A628 PolarHBondContact O-N 3.27Å; W625-A628 WeakPolarHBondContact O-CB 3.44Å; W625-A628 PolarHBondContact O-N 3.13Å; R626-A628 VanDerWaalsContact C-N 3.3Å; R626-A628 PolarHBondContact O-N 2.89Å; A628-I630 PolarHBondContact O-N 3.02Å; A628-A631 WeakPolarHBondContact O-CB 3.38Å; A628-A631 PolarHBondContact O-N 3.04Å; A628-M632 WeakPolarHBondContact O-CG 3.28Å; A628-M632 PolarHBondContact O-N 3.21Å; A628-M632 VanDerWaalsContact O-N 3.15Å
629C57.4Low59.5Low41 Ų4179.4 Ų79.428%0.27740%0.397SS..Hα-helixtrans-58.2-47.1177.9-64.40000112.2W625 R626 A631 M632 E633W625-C629 PolarHBondContact O-N 3.41Å; W625-C629 PolarHBondContact O-SG 3.31Å; W625-C629 VanDerWaalsContact O-SG 3.33Å; R626-C629 PolarHBondContact O-N 3.13Å; C629-A631 VanDerWaalsContact C-N 3.26Å; C629-A631 PolarHBondContact O-N 2.96Å; C629-M632 PolarHBondContact O-N 2.84Å; C629-M632 VanDerWaalsContact O-N 3.13Å; C629-E633 PolarHBondContact O-N 3.2Å
630I61.5Low57.3Low85 Ų8587.1 Ų87.144%0.43643%0.433SS..Hα-helixtrans-63-31.6179.6-66.8165.7000111.9R626 A628 K634R626-I630 WeakPolarHBondContact O-CG1 3.48Å; R626-I630 PolarHBondContact O-N 3.23Å; R626-I630 VanDerWaalsContact O-N 3.11Å; A628-I630 PolarHBondContact O-N 3.02Å; I630-K634 HydrophobicContact CG2-CD 4.49Å; I630-K634 WeakPolarHBondContact O-CG 3.42Å; I630-K634 PolarHBondContact O-N 3.07Å
631A53.6Low55.3Low53 Ų5390.2 Ų90.244%0.43846%0.461SS..Hα-helixtrans-69.2-41.417500000112V627 A628 C629 K634 T635V627-A631 PolarHBondContact O-N 3.08Å; V627-A631 VanDerWaalsContact O-N 3.16Å; A628-A631 WeakPolarHBondContact O-CB 3.38Å; A628-A631 PolarHBondContact O-N 3.04Å; C629-A631 VanDerWaalsContact C-N 3.26Å; C629-A631 PolarHBondContact O-N 2.96Å; A631-K634 PolarHBondContact O-N 3.35Å; A631-T635 PolarHBondContact O-N 2.9Å; A631-T635 PolarHBondContact O-OG1 3.33Å
632M46.8Very low53.3Low114 Ų11490.1 Ų90.156%0.56247%0.471SS*.Hα-helixtrans-63.6-45.2177-65.3168.8110.400111.5A628 C629 K634 T635 K636A628-M632 WeakPolarHBondContact O-CG 3.28Å; A628-M632 PolarHBondContact O-N 3.21Å; A628-M632 VanDerWaalsContact O-N 3.15Å; C629-M632 PolarHBondContact O-N 2.84Å; C629-M632 VanDerWaalsContact O-N 3.13Å; M632-K634 PolarHBondContact O-N 3Å; M632-T635 PolarHBondContact O-N 3.25Å; M632-K636 PolarHBondContact O-N 3.37Å; M632-K636 VanDerWaalsContact O-N 3.09Å
633E50.9Low51.4Low126 Ų12695 Ų9559%0.58951%0.505SS*.Hα-helixtrans-58.6-45.1177.3-70.7-171141.300112.9C629 T635 K636 Q637C629-E633 PolarHBondContact O-N 3.2Å; E633-T635 PolarHBondContact O-N 3.07Å; E633-K636 VanDerWaalsContact O-CB 3.28Å; E633-K636 WeakPolarHBondContact O-CB 3.4Å; E633-K636 PolarHBondContact O-N 2.98Å; E633-K636 VanDerWaalsContact O-N 3.15Å; E633-Q637 PolarHBondContact O-N 3.01Å
634K51.1Low49Very low127 Ų12799.7 Ų99.755%0.55254%0.535SS*.Hα-helixtrans-61.3-43.7178.3-75173.8-179.11730112.2I630 A631 M632 K636 Q637 E638I630-K634 HydrophobicContact CG2-CD 4.49Å; I630-K634 WeakPolarHBondContact O-CG 3.42Å; I630-K634 PolarHBondContact O-N 3.07Å; A631-K634 PolarHBondContact O-N 3.35Å; M632-K634 PolarHBondContact O-N 3Å; K634-K636 PolarHBondContact O-N 3.05Å; K634-Q637 PolarHBondContact O-N 2.97Å; K634-E638 PolarHBondContact O-N 3.06Å
635T47.3Very low47.6Very low77 Ų77107.8 Ų107.847%0.47256%0.562SS.*Hα-helixtrans-62.4-34.3176.6-61.30000111.7A631 M632 E633 Q639A631-T635 PolarHBondContact O-N 2.9Å; A631-T635 PolarHBondContact O-OG1 3.33Å; M632-T635 PolarHBondContact O-N 3.25Å; E633-T635 PolarHBondContact O-N 3.07Å; T635-Q639 WeakPolarHBondContact O-CG 3.13Å; T635-Q639 PolarHBondContact O-N 3.21Å
636K43Very low46.2Very low129 Ų129112.2 Ų112.256%0.56159%0.585SS**Hα-helixtrans-66-39175.4-141.2163.6-175.5172.10112.1D422 M632 E633 K634D422-K636 IonicContact OD2-NZ 2.57Å; D422-K636 PolarHBondContact OD2-NZ 3.41Å; M632-K636 PolarHBondContact O-N 3.37Å; M632-K636 VanDerWaalsContact O-N 3.09Å; E633-K636 VanDerWaalsContact O-CB 3.28Å; E633-K636 WeakPolarHBondContact O-CB 3.4Å; E633-K636 PolarHBondContact O-N 2.98Å; E633-K636 VanDerWaalsContact O-N 3.15Å; K634-K636 PolarHBondContact O-N 3.05Å
637Q42.1Very low44.2Very low138 Ų138113.8 Ų113.865%0.64561%0.611SS**Hα-helixtrans-74.3-43.8177.5-69.5-176.60.300113.3E633 K634 Q639 Q640E633-Q637 PolarHBondContact O-N 3.01Å; K634-Q637 PolarHBondContact O-N 2.97Å; Q637-Q639 VanDerWaalsContact C-N 3.25Å; Q637-Q639 PolarHBondContact O-N 3.38Å; Q637-Q640 PolarHBondContact O-N 2.69Å; Q637-Q640 VanDerWaalsContact O-N 3.07Å
638E44.4Very low42.4Very low146 Ų146121 Ų12168%0.68264%0.637SS**Hα-helixtrans-62.6-32.5-178.3-72.3-172.6169.600112.7K634 Q640 A641K634-E638 PolarHBondContact O-N 3.06Å; E638-Q640 VanDerWaalsContact C-N 3.31Å; E638-Q640 PolarHBondContact O-N 3.33Å; E638-A641 PolarHBondContact O-N 3.03Å
639Q43.3Very low41.1Very low151 Ų151128.6 Ų128.671%0.70666%0.661SS**Hα-helixtrans-69.3-23.8175.8-70.2-178.219.300113.8T635 Q637T635-Q639 WeakPolarHBondContact O-CG 3.13Å; T635-Q639 PolarHBondContact O-N 3.21Å; Q637-Q639 VanDerWaalsContact C-N 3.25Å; Q637-Q639 PolarHBondContact O-N 3.38Å
640Q37.7Very low39.6Very low163 Ų163136.3 Ų136.376%0.76269%0.69SS**Hα-helixtrans-80.6-18.5174.3-72.4-172.9-31.800113.4Q637 E638Q637-Q640 PolarHBondContact O-N 2.69Å; Q637-Q640 VanDerWaalsContact O-N 3.07Å; E638-Q640 VanDerWaalsContact C-N 3.31Å; E638-Q640 PolarHBondContact O-N 3.33Å
641A36.4Very low38.1Very low87 Ų87140.9 Ų140.972%0.71971%0.707SS**SBendtrans-92-7.3-169.400000115.5E638E638-A641 PolarHBondContact O-N 3.03Å
642S29.7Very low36.8Very low96 Ų96146.9 Ų146.967%0.67173%0.726SS**  trans-119.451-164.8-153.70000115.1T644S642-T644 PolarHBondContact O-N 2.95Å; S642-T644 VanDerWaalsContact O-N 3.15Å
643C32.5Very low35.8Very low117 Ų117151.6 Ų151.679%0.79174%0.739SS**  trans-86.366.7-177.9-65.80000113.9
644T30.4Very low34.6Very low118 Ų118154.4 Ų154.472%0.72475%0.749SS**  trans-137.8125.516748.60000113.2S642 F646S642-T644 PolarHBondContact O-N 2.95Å; S642-T644 VanDerWaalsContact O-N 3.15Å; T644-F646 PolarHBondContact O-N 3Å
645W38.3Very low33.7Very low249 Ų249155.1 Ų155.194%0.94376%0.759SS**THydrogen-bonded Turntrans-76.9-11.2-166.4-144.5-37.4000114.9
646F33.9Very low32.9Very low206 Ų206157.5 Ų157.590%0.90476%0.762SS**THydrogen-bonded Turntrans-131.662-177.7-82.8-83.7000113.6T644T644-F646 PolarHBondContact O-N 3Å
647G26.9Very low32.3Very low63 Ų63156.3 Ų156.365%0.64976%0.755SS**  trans-93.8124166.100000112.2K649G647-K649 PolarHBondContact O-N 3.06Å
648K26.3Very low32.1Very low204 Ų204153 Ų15389%0.88774%0.741SS**  trans-56.5133.8167.4-68.8175.8179.9174.30108.7K650K648-K650 PolarHBondContact O-N 3.04Å
649K30.2Very low31.8Very low210 Ų210150.6 Ų150.691%0.91375%0.747SS**  trans-51.2100.1176.4-77.3-173.1176-178.20110.2G647 K651G647-K649 PolarHBondContact O-N 3.06Å; K649-K651 PolarHBondContact O-N 3.26Å; K649-K651 VanDerWaalsContact O-N 3.07Å
650K26.3Very low31.5Very low203 Ų203151.8 Ų151.888%0.88375%0.75SS**  trans-70.4109.4175.3-151.7178.1-171.5-177.30105.8K648 Q652K648-K650 PolarHBondContact O-N 3.04Å; K650-Q652 VanDerWaalsContact C-N 3.27Å; K650-Q652 PolarHBondContact O-N 3.09Å
651K28.9Very low31.4Very low182 Ų182149 Ų14979%0.79174%0.737SS**  trans-6588.2-178.7-175-175.9179.6-172.30108.2K649 Y653K649-K651 PolarHBondContact O-N 3.26Å; K649-K651 VanDerWaalsContact O-N 3.07Å; K651-Y653 PolarHBondContact O-N 3.42Å
652Q25.6Very low31.4Very low178 Ų178148.8 Ų148.883%0.83272%0.723SS**  trans-46.7137152.7-83.9174.4-35.300106.6K650 K654K650-Q652 VanDerWaalsContact C-N 3.27Å; K650-Q652 PolarHBondContact O-N 3.09Å; Q652-K654 PolarHBondContact O-N 3.4Å
653Y26.2Very low31.7Very low214 Ų214148.1 Ų148.184%0.83972%0.723SS**  trans-56.8120.1-179.2-90.1-108.1000107.6K651 D655K651-Y653 PolarHBondContact O-N 3.42Å; Y653-D655 PolarHBondContact O-N 3.07Å
654K26.8Very low31.7Very low185 Ų185146.2 Ų146.280%0.80471%0.708SS**  trans-64.1109.6162.5-96-166.3167.4-166.30104.7Q652 K656Q652-K654 PolarHBondContact O-N 3.4Å; K654-K656 PolarHBondContact O-N 2.79Å; K654-K656 VanDerWaalsContact O-N 3.08Å
655D31.6Very low32Very low141 Ų141142.6 Ų142.675%0.75468%0.682SS**  trans-52.3120.7177.5-72.7-55.1000109.1Y653 Y657Y653-D655 PolarHBondContact O-N 3.07Å; D655-Y657 PolarHBondContact O-N 2.99Å
656K31.3Very low32.1Very low127 Ų127135.1 Ų135.155%0.55266%0.661SS**  trans-84.8104.3-174.4-119-173.1175-173.70106K654 S755K654-K656 PolarHBondContact O-N 2.79Å; K654-K656 VanDerWaalsContact O-N 3.08Å; K656-S755 PolarHBondContact NZ-OG 3.24Å
657Y30.6Very low32.2Very low104 Ų104132.1 Ų132.141%0.40865%0.65SS.*SBendtrans87.9170.7161.4-59.4-102.8000118.8D655 I745 Y753D655-Y657 PolarHBondContact O-N 2.99Å; Y657-I745 HydrophobicContact CD1-CG2 3.88Å; Y657-I745 HydrophobicContact CE1-CG2 3.6Å; Y657-Y753 VanDerWaalsContact CB-OH 3.23Å; Y657-Y753 WeakPolarHBondContact CB-OH 3.44Å; Y657-Y753 HydrophobicContact CD1-CE2 4.06Å; Y657-Y753 HydrophobicContact CD2-CD2 4.4Å; Y657-Y753 AromaticContact CD2-CE2 3.42Å; Y657-Y753 HydrophobicContact CD2-CE2 3.42Å; Y657-Y753 VanDerWaalsContact CD2-CE2 3.42Å; Y657-Y753 HydrophobicContact CE1-CE2 4.06Å; Y657-Y753 HydrophobicContact CE2-CD2 4.14Å; Y657-Y753 AromaticContact CE2-CE2 3.45Å; Y657-Y753 HydrophobicContact CE2-CE2 3.45Å; Y657-Y753 VanDerWaalsContact CE2-CE2 3.45Å; Y657-Y753 AromaticContact CG-CE2 3.74Å; Y657-Y753 HydrophobicContact CG-CE2 3.74Å; Y657-Y753 AromaticContact CG-CZ 3.99Å; Y657-Y753 VanDerWaalsContact CG-OH 3.29Å; Y657-Y753 AromaticContact CZ-CE2 3.74Å
658L37.2Very low32.9Very low68 Ų68133.3 Ų133.336%0.35664%0.64SS.*  trans74.740.2174.8-56.2-177.9000119.7K660 N748L658-K660 PolarHBondContact O-N 3.29Å; L658-N748 HydrophobicContact CD2-CB 4.34Å; L658-N748 WeakPolarHBondContact CD2-OD1 3.44Å
659A37.2Very low34Very low96 Ų96127.3 Ų127.379%0.79362%0.618SS**THydrogen-bonded Turntrans-74.725.1175.800000116.7
660K38.5Very low35.3Very low176 Ų176120.4 Ų120.477%0.76559%0.591SS**THydrogen-bonded Turntrans-117.1-5.4-171.7-149178-178-178.30115.4L658L658-K660 PolarHBondContact O-N 3.29Å
661H33.9Very low37.4Very low106 Ų106112.4 Ų112.449%0.49156%0.559SS.*  trans-129.520.1-177.2-80.8-83.8000113.8A663 V664 F665H661-A663 VanDerWaalsContact C-N 3.32Å; H661-A663 PolarHBondContact O-N 3.05Å; H661-V664 PolarHBondContact O-N 3.13Å; H661-F665 HydrophobicContact CB-CD2 3.82Å; H661-F665 HydrophobicContact CB-CE2 3.54Å; H661-F665 HydrophobicContact CB-CZ 4.23Å; H661-F665 PolarHBondContact O-N 2.9Å; H661-F665 VanDerWaalsContact O-N 3.08Å
662N37.4Very low40.1Very low82 Ų82104.6 Ų104.644%0.43953%0.527SS..Hα-helixtrans-45.5-50.3-178-68.848.6000113V664 F665 D666N662-V664 PolarHBondContact O-N 3.43Å; N662-F665 CarbonylContact O-C 3.53Å; N662-F665 PolarHBondContact O-N 3.01Å; N662-D666 VanDerWaalsContact C-OD2 3.28Å; N662-D666 VanDerWaalsContact O-CB 3.27Å; N662-D666 WeakPolarHBondContact O-CB 3.36Å; N662-D666 PolarHBondContact O-N 3.26Å; N662-D666 VanDerWaalsContact O-OD2 3.12Å
663A35.2Very low43.1Very low81 Ų8197.5 Ų97.567%0.66949%0.492SS*.Hα-helixtrans-58.4-12.7-179.700000116.2H661H661-A663 VanDerWaalsContact C-N 3.32Å; H661-A663 PolarHBondContact O-N 3.05Å
664V33.6Very low46.1Very low77 Ų7789 Ų8947%0.46746%0.46SS..Hα-helixtrans-103.2-36.8171.2-177.30000111.4H661 N662 Q667 L668H661-V664 PolarHBondContact O-N 3.13Å; N662-V664 PolarHBondContact O-N 3.43Å; V664-Q667 PolarHBondContact O-N 3.49Å; V664-L668 HydrophobicContact CG1-CD1 4.42Å; V664-L668 WeakPolarHBondContact O-CG 3.38Å; V664-L668 PolarHBondContact O-N 3.33Å
665F35.3Very low49.2Very low43 Ų4384.3 Ų84.319%0.18944%0.441CS..Hα-helixtrans-72.9-32.9176.3-66.1-46000113.5H661 N662 Q667 L668 D669 K788H661-F665 HydrophobicContact CB-CD2 3.82Å; H661-F665 HydrophobicContact CB-CE2 3.54Å; H661-F665 HydrophobicContact CB-CZ 4.23Å; H661-F665 PolarHBondContact O-N 2.9Å; H661-F665 VanDerWaalsContact O-N 3.08Å; N662-F665 CarbonylContact O-C 3.53Å; N662-F665 PolarHBondContact O-N 3.01Å; F665-Q667 PolarHBondContact O-N 3.23Å; F665-L668 HydrophobicContact CD1-CD1 3.98Å; F665-L668 HydrophobicContact CE1-CD1 4.48Å; F665-L668 PolarHBondContact O-N 3.09Å; F665-D669 PolarHBondContact O-N 3.3Å; F665-D669 VanDerWaalsContact O-N 3.1Å; F665-K788 HydrophobicContact CD1-CB 4.15Å; F665-K788 HydrophobicContact CD1-CD 4.09Å; F665-K788 HydrophobicContact CE1-CB 3.88Å; F665-K788 HydrophobicContact CG-CD 4.48Å
666D40.6Very low52Low91 Ų9177.8 Ų77.849%0.48741%0.406SS..Hα-helixtrans-64.8-26.3173.1-57.2-21.5000110.9N662N662-D666 VanDerWaalsContact C-OD2 3.28Å; N662-D666 VanDerWaalsContact O-CB 3.27Å; N662-D666 WeakPolarHBondContact O-CB 3.36Å; N662-D666 PolarHBondContact O-N 3.26Å; N662-D666 VanDerWaalsContact O-OD2 3.12Å
667Q37.1Very low54.9Low144 Ų14473.3 Ų73.367%0.67339%0.39SS*.Hα-helixtrans-80.5-25.3171-67.8-173.6-36.500113V664 F665V664-Q667 PolarHBondContact O-N 3.49Å; F665-Q667 PolarHBondContact O-N 3.23Å
668L40.4Very low57.8Low87 Ų8773.2 Ų73.246%0.45539%0.392SS..Hα-helixtrans-84-20.3179.4-74.7164.3000113.3V664 F665 L670V664-L668 HydrophobicContact CG1-CD1 4.42Å; V664-L668 WeakPolarHBondContact O-CG 3.38Å; V664-L668 PolarHBondContact O-N 3.33Å; F665-L668 HydrophobicContact CD1-CD1 3.98Å; F665-L668 HydrophobicContact CE1-CD1 4.48Å; F665-L668 PolarHBondContact O-N 3.09Å; L668-L670 VanDerWaalsContact C-N 3.34Å
669D50.4Low60.2Low79 Ų7971.8 Ų71.842%0.42238%0.384SS..SBendtrans-85.9-2173.2-68.6-25.8000113.3F665 V671 K788F665-D669 PolarHBondContact O-N 3.3Å; F665-D669 VanDerWaalsContact O-N 3.1Å; D669-V671 PolarHBondContact O-N 3.46Å; D669-K788 WeakPolarHBondContact OD1-CE 3.37Å; D669-K788 IonicContact OD1-NZ 2.84Å; D669-K788 PolarHBondContact OD1-NZ 3.26Å; D669-K788 IonicContact OD2-NZ 3.91Å; D669-K788 PolarHBondContact OD2-NZ 3.22Å
670L56.9Low62.4Low64 Ų6472.1 Ų72.134%0.33538%0.378SS..  trans-85.690.2174.4-73.6171.1000111E624 L668 T672E624-L670 HydrophobicContact CB-CD2 4.42Å; E624-L670 HydrophobicContact CG-CB 4.44Å; E624-L670 HydrophobicContact CG-CD1 4.25Å; E624-L670 HydrophobicContact CG-CD2 4.13Å; L668-L670 VanDerWaalsContact C-N 3.34Å; L670-T672 PolarHBondContact O-N 2.98Å
671V71.5Confident64.4Low36 Ų3666.6 Ų66.622%0.21837%0.365CS..  trans-7182.4-174-171.50000112.1Q565 F566 D669 H833Q565-V671 HydrophobicContact CB-CG1 3.63Å; Q565-V671 WeakPolarHBondContact O-CG1 3.49Å; F566-V671 HydrophobicContact CB-CG1 4.23Å; F566-V671 WeakPolarHBondContact CD1-O 3.37Å; D669-V671 PolarHBondContact O-N 3.46Å; V671-H833 HydrophobicContact CG1-CB 4.15Å
672T84.3Confident66.9Low18 Ų1863.1 Ų63.111%0.1135%0.349CS..SBendtrans-117.1-98.4179.6630000112.6Q565 F566 P620 Q623 E624 L670Q565-T672 WeakPolarHBondContact CB-O 3.49Å; Q565-T672 PolarHBondContact N-O 3.18Å; F566-T672 WeakPolarHBondContact CD1-O 3.49Å; F566-T672 VanDerWaalsContact CE1-O 3.23Å; F566-T672 WeakPolarHBondContact CE1-O 3.5Å; P620-T672 HydrophobicContact CB-CG2 4.39Å; Q623-T672 HydrophobicContact CB-CG2 4.04Å; Q623-T672 HydrophobicContact CG-CG2 3.91Å; E624-T672 HydrophobicContact CG-CG2 3.75Å; L670-T672 PolarHBondContact O-N 2.98Å
673Y88.7Confident69.2Low29 Ų2965 Ų6511%0.11435%0.353CS..EExtended strand (participates in β ladder)trans-138.9133.9-173.5-63.6-78000110.9V562 R563 A564 F566 F585 I591 I617 P618 P620V562-Y673 HydrophobicContact CB-CD1 4.37Å; V562-Y673 HydrophobicContact CG2-CD1 3.71Å; V562-Y673 HydrophobicContact CG2-CE1 4.38Å; V562-Y673 HydrophobicContact CG2-CG 4.2Å; R563-Y673 WeakPolarHBondContact O-CA 3.22Å; A564-Y673 HydrophobicContact CB-CD1 4.42Å; A564-Y673 HydrophobicContact CB-CE1 4.35Å; F566-Y673 HydrophobicContact CE1-CD1 4.36Å; F566-Y673 HydrophobicContact CE1-CD2 4.25Å; F566-Y673 AromaticContact CE1-CE1 3.95Å; F566-Y673 HydrophobicContact CE1-CE1 3.95Å; F566-Y673 AromaticContact CE1-CE2 3.85Å; F566-Y673 HydrophobicContact CE1-CE2 3.85Å; F566-Y673 AromaticContact CE1-CZ 3.71Å; F566-Y673 HydrophobicContact CZ-CE1 4.21Å; F566-Y673 AromaticContact CZ-CE2 3.98Å; F566-Y673 HydrophobicContact CZ-CE2 3.98Å; F566-Y673 AromaticContact CZ-CZ 3.66Å; F585-Y673 HydrophobicContact CE2-CE1 4.28Å; F585-Y673 AromaticContact CZ-CE1 3.91Å; F585-Y673 HydrophobicContact CZ-CE1 3.91Å; F585-Y673 AromaticContact CZ-CZ 3.94Å; F585-Y673 VanDerWaalsContact CZ-OH 3.29Å; F585-Y673 WeakPolarHBondContact CZ-OH 3.47Å; I591-Y673 HydrophobicContact CD1-CE1 4.02Å; I617-Y673 HydrophobicContact CD1-CE1 4.46Å; P618-Y673 VanDerWaalsContact O-CE2 3.27Å; P618-Y673 WeakPolarHBondContact O-CE2 3.46Å; P618-Y673 PolarHBondContact O-OH 2.83Å; P620-Y673 HydrophobicContact CG-CD2 4.03Å
674E89.6Confident71.8Confident36 Ų3661.9 Ų61.917%0.16832%0.324CS..EExtended strand (participates in β ladder)trans-102.1119.4175.5-179.8177.6-11900108.6V562 R563 Q565 V676 R791 P866V562-E674 CarbonylContact C-O 3.58Å; V562-E674 VanDerWaalsContact CA-O 3.3Å; V562-E674 WeakPolarHBondContact CA-O 3.38Å; R563-E674 HydrophobicContact CB-CB 4.4Å; R563-E674 WeakPolarHBondContact CD-OE2 3.02Å; R563-E674 IonicContact CZ-OE2 3.38Å; R563-E674 PolarHBondContact N-O 2.94Å; R563-E674 IonicContact NH1-OE2 3.38Å; R563-E674 PolarHBondContact NH1-OE2 2.72Å; R563-E674 PolarHBondContact O-N 3.35Å; Q565-E674 HydrophobicContact CG-CB 4.31Å; Q565-E674 PolarHBondContact NE2-OE2 3.03Å; E674-V676 HydrophobicContact CG-CG1 4.38Å; E674-V676 PolarHBondContact O-N 3.4Å; E674-R791 IonicContact OE1-CZ 3.83Å; E674-R791 IonicContact OE1-NH2 2.66Å; E674-R791 PolarHBondContact OE1-NH2 3.05Å; E674-R791 IonicContact OE2-NH2 3.86Å; E674-R791 PolarHBondContact OE2-NH2 2.86Å; E674-P866 HydrophobicContact CG-CB 4.19Å; E674-P866 HydrophobicContact CG-CG 4.25Å
675E91.3Very high74.7Confident85 Ų8561.6 Ų61.640%0.39732%0.317SS..EExtended strand (participates in β ladder)trans-68.6129.5176.6-160.8-176.8145.300109.8I560 Y561 P866 V867I560-E675 HydrophobicContact CG2-CG 4.21Å; Y561-E675 WeakPolarHBondContact O-CG 3.29Å; E675-P866 CarbonylContact O-C 3.59Å; E675-P866 WeakPolarHBondContact O-CA 3.49Å; E675-V867 HydrophobicContact CB-CB 4.47Å; E675-V867 HydrophobicContact CB-CG2 4.18Å; E675-V867 HydrophobicContact CG-CG2 3.84Å; E675-V867 PolarHBondContact O-N 2.92Å
676V91.9Very high77.6Confident4 Ų459.6 Ų59.62%0.02431%0.308CS..EExtended strand (participates in β ladder)trans-129.7149.7-172-69.70000112.8Y561 R563 I590 E674 W864 V865Y561-V676 PolarHBondContact O-N 3.24Å; R563-V676 HydrophobicContact CB-CG1 3.92Å; R563-V676 HydrophobicContact CB-CG2 4.43Å; I590-V676 HydrophobicContact CD1-CG2 4.3Å; I590-V676 HydrophobicContact CG2-CG2 4.46Å; E674-V676 HydrophobicContact CG-CG1 4.38Å; E674-V676 PolarHBondContact O-N 3.4Å; V676-W864 HydrophobicContact CB-CB 4.42Å; V676-W864 HydrophobicContact CB-CE3 4.15Å; V676-W864 HydrophobicContact CG2-CD2 4.39Å; V676-W864 HydrophobicContact CG2-CE3 3.69Å; V676-W864 HydrophobicContact CG2-CZ3 4.28Å; V676-V865 CarbonylContact C-O 3.55Å; V676-V865 WeakPolarHBondContact CA-O 3.48Å; V676-V865 WeakPolarHBondContact CB-O 3.49Å
677V91.8Very high80.3Confident34 Ų3455.4 Ų55.421%0.20629%0.285CS..EExtended strand (participates in β ladder)trans-120.1141.7172.3620000110.1L679 W864 V865 V867 V870V677-L679 HydrophobicContact CG1-CD2 4.37Å; V677-L679 HydrophobicContact CG1-CG 4.42Å; V677-L679 HydrophobicContact CG2-CD2 4.43Å; V677-W864 WeakPolarHBondContact O-CA 3.38Å; V677-V865 HydrophobicContact CG1-CG2 3.9Å; V677-V865 PolarHBondContact N-O 3.48Å; V677-V865 PolarHBondContact O-N 2.94Å; V677-V867 HydrophobicContact CB-CG2 4.28Å; V677-V870 HydrophobicContact CG1-CB 4.31Å; V677-V870 HydrophobicContact CG1-CG2 3.82Å
678K91.4Very high83.1Confident102 Ų10248.5 Ų48.544%0.44325%0.253SS..EExtended strand (participates in β ladder)trans-87.2110.5176-154.4179.2-156.9164.50109.5E607 Q863 W864E607-K678 IonicContact OE1-NZ 3.58Å; E607-K678 PolarHBondContact OE1-NZ 2.66Å; E607-K678 VanDerWaalsContact OE1-NZ 3.12Å; K678-Q863 CarbonylContact C-O 3.25Å; K678-Q863 WeakPolarHBondContact CA-O 3.42Å; K678-W864 HydrophobicContact CB-CD2 3.94Å; K678-W864 HydrophobicContact CB-CE3 3.75Å; K678-W864 HydrophobicContact CB-CH2 3.86Å; K678-W864 HydrophobicContact CB-CZ2 4.03Å; K678-W864 HydrophobicContact CB-CZ3 3.72Å; K678-W864 HydrophobicContact CD-CD2 4.47Å; K678-W864 HydrophobicContact CD-CH2 4.17Å; K678-W864 HydrophobicContact CD-CZ2 3.63Å; K678-W864 HydrophobicContact CG-CD2 4Å; K678-W864 HydrophobicContact CG-CE3 4.34Å; K678-W864 HydrophobicContact CG-CH2 4.4Å; K678-W864 HydrophobicContact CG-CZ2 4.05Å
679L88.2Confident85.8Confident37 Ų3744.4 Ų44.419%0.19423%0.231CC..EExtended strand (participates in β ladder)trans-98.5143173.2-62.5-175.9000110.1V677 A681 F682 P862 Q863 V865 V870V677-L679 HydrophobicContact CG1-CD2 4.37Å; V677-L679 HydrophobicContact CG1-CG 4.42Å; V677-L679 HydrophobicContact CG2-CD2 4.43Å; L679-A681 VanDerWaalsContact C-N 3.27Å; L679-A681 PolarHBondContact O-N 3.08Å; L679-F682 HydrophobicContact CD1-CB 4.19Å; L679-F682 HydrophobicContact CD1-CD2 3.67Å; L679-F682 HydrophobicContact CD1-CE2 4.48Å; L679-F682 HydrophobicContact CD1-CG 4.29Å; L679-P862 CarbonylContact O-C 3.58Å; L679-P862 WeakPolarHBondContact O-CA 3.47Å; L679-Q863 PolarHBondContact N-O 3.48Å; L679-Q863 PolarHBondContact O-N 2.71Å; L679-V865 HydrophobicContact CD1-CG2 3.7Å; L679-V865 HydrophobicContact CG-CG2 3.92Å; L679-V870 HydrophobicContact CD1-CG2 3.9Å
680P83.1Confident87.9Confident104 Ų10440.7 Ų40.768%0.67521%0.212SC*.SBendtrans-68.2-26.5178.528-34.6000112.9
681A79.6Confident89.6Confident60 Ų6037.9 Ų37.950%0.49620%0.198SC..  trans-153.1147.9170.400000109.5L679L679-A681 VanDerWaalsContact C-N 3.27Å; L679-A681 PolarHBondContact O-N 3.08Å
682F86.2Confident90.6Very high33 Ų3336.2 Ų36.215%0.14519%0.188CC..  trans-154.3117.2176.4179.2-98000111.1L679 R684 A796 Q863 V865 W869L679-F682 HydrophobicContact CD1-CB 4.19Å; L679-F682 HydrophobicContact CD1-CD2 3.67Å; L679-F682 HydrophobicContact CD1-CE2 4.48Å; L679-F682 HydrophobicContact CD1-CG 4.29Å; F682-R684 PolarHBondContact O-N 3.46Å; F682-A796 HydrophobicContact CE1-CB 3.89Å; F682-A796 HydrophobicContact CZ-CB 3.88Å; F682-Q863 PolarHBondContact O-NE2 3.33Å; F682-V865 HydrophobicContact CB-CG1 4.2Å; F682-V865 HydrophobicContact CD1-CG1 3.61Å; F682-V865 HydrophobicContact CD2-CG1 4.33Å; F682-V865 HydrophobicContact CE1-CG1 3.97Å; F682-V865 HydrophobicContact CG-CG1 3.8Å; F682-V865 HydrophobicContact CZ-CG1 4.47Å; F682-W869 AromaticContact CE1-CE3 3.77Å; F682-W869 HydrophobicContact CE1-CE3 3.77Å; F682-W869 HydrophobicContact CE1-CZ3 4.06Å; F682-W869 HydrophobicContact CZ-CB 4.46Å; F682-W869 AromaticContact CZ-CE3 3.73Å; F682-W869 HydrophobicContact CZ-CE3 3.73Å; F682-W869 HydrophobicContact CZ-CZ3 4.45Å
683K85.9Confident90.8Very high122 Ų12241.5 Ų41.553%0.5321%0.212SC..  trans-78.4107.2-179.1-173.3178.1178.5-176.20110.9G775K683-G775 PolarHBondContact NZ-O 2.73Å
684R91Very high90.7Very high15 Ų1543.5 Ų43.56%0.05724%0.241CC..  trans-64.6137.8163.1-59.8-76.2-177.912214.7108.7F682 A796 P797 F798 D836 V858F682-R684 PolarHBondContact O-N 3.46Å; R684-A796 VanDerWaalsContact CA-O 3.31Å; R684-A796 WeakPolarHBondContact CA-O 3.31Å; R684-A796 WeakPolarHBondContact CB-O 3.32Å; R684-A796 VanDerWaalsContact CD-O 3.23Å; R684-A796 WeakPolarHBondContact CD-O 3.41Å; R684-P797 PolarHBondContact NH1-O 3.47Å; R684-F798 HydrophobicContact CB-CB 4.15Å; R684-F798 HydrophobicContact CG-CB 4.02Å; R684-D836 IonicContact CZ-OD1 2.81Å; R684-D836 VanDerWaalsContact CZ-OD1 3.26Å; R684-D836 IonicContact CZ-OD2 3.12Å; R684-D836 IonicContact NH1-OD1 3.71Å; R684-D836 PolarHBondContact NH1-OD1 2.89Å; R684-D836 IonicContact NH1-OD2 2.9Å; R684-D836 PolarHBondContact NH1-OD2 3.35Å; R684-D836 IonicContact NH2-OD1 3.44Å; R684-D836 PolarHBondContact NH2-OD1 3.29Å; R684-V858 HydrophobicContact CG-CG1 3.64Å
685K93.2Very high90.7Very high71 Ų7142 Ų4231%0.30923%0.234SC..  trans-107.4-27.4-175.8-50.5156.7176.8166.20112.6H772 I777 A778 A793 E794 F795 A796K685-H772 PolarHBondContact O-CD2 3.08Å; K685-H772 PolarHBondContact O-NE2 3.15Å; K685-H772 VanDerWaalsContact O-NE2 3.13Å; K685-I777 CarbonylContact O-C 3.44Å; K685-I777 VanDerWaalsContact O-CA 3.24Å; K685-I777 WeakPolarHBondContact O-CA 3.22Å; K685-A778 PolarHBondContact O-N 2.98Å; K685-A793 PolarHBondContact NZ-O 3.22Å; K685-E794 WeakPolarHBondContact CD-O 3.05Å; K685-E794 PolarHBondContact NZ-O 3.05Å; K685-F795 WeakPolarHBondContact CB-O 3.11Å; K685-A796 HydrophobicContact CD-CB 4.31Å; K685-A796 HydrophobicContact CG-CB 4.41Å; K685-A796 PolarHBondContact N-O 3.06Å
686T96.1Very high90.6Very high1 Ų138.9 Ų38.91%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-116.1138178-54.10000110.3V688 H772 A778 L780 F795 P797 F798T686-V688 HydrophobicContact CG2-CG2 3.85Å; T686-H772 PolarHBondContact OG1-CE1 3.37Å; T686-H772 PolarHBondContact OG1-NE2 2.6Å; T686-A778 CarbonylContact C-O 3.59Å; T686-A778 VanDerWaalsContact CA-O 3.31Å; T686-A778 WeakPolarHBondContact CA-O 3.4Å; T686-A778 HydrophobicContact CG2-CB 4.49Å; T686-A778 WeakPolarHBondContact CG2-O 3.44Å; T686-L780 HydrophobicContact CG2-CB 4.48Å; T686-L780 HydrophobicContact CG2-CD1 3.4Å; T686-L780 HydrophobicContact CG2-CG 3.66Å; T686-F795 PolarHBondContact N-O 3.49Å; T686-F795 PolarHBondContact OG1-O 3.34Å; T686-P797 CarbonylContact O-C 3.44Å; T686-P797 WeakPolarHBondContact O-CA 3.36Å; T686-F798 PolarHBondContact O-N 3.29Å
687L96.7Very high90.7Very high2 Ų240.1 Ų40.11%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-105.1117.6166.5168.761.2000108.3L689 L704 F712 I777 A778 I779 L780 F798 V800 L851 V855L687-L689 HydrophobicContact CD1-CD2 3.99Å; L687-L689 HydrophobicContact CD2-CD2 4.29Å; L687-L689 HydrophobicContact CG-CD2 4.04Å; L687-L689 HydrophobicContact CG-CG 4.43Å; L687-L704 HydrophobicContact CD2-CD1 4.18Å; L687-F712 HydrophobicContact CD2-CE1 4.38Å; L687-I777 HydrophobicContact CB-CG2 3.94Å; L687-A778 PolarHBondContact N-O 3.23Å; L687-I779 HydrophobicContact CB-CG1 4.42Å; L687-I779 HydrophobicContact CD2-CD1 4.19Å; L687-I779 HydrophobicContact CD2-CG1 4.17Å; L687-I779 HydrophobicContact CD2-CG2 4.31Å; L687-I779 HydrophobicContact CG-CG2 4.37Å; L687-I779 CarbonylContact O-C 3.37Å; L687-I779 WeakPolarHBondContact O-CA 3.35Å; L687-L780 PolarHBondContact O-N 2.7Å; L687-F798 HydrophobicContact CD1-CD1 3.85Å; L687-V800 HydrophobicContact CD1-CG2 3.83Å; L687-L851 HydrophobicContact CD1-CD1 3.98Å; L687-L851 HydrophobicContact CD2-CD1 4.28Å; L687-L851 HydrophobicContact CD2-CD2 4.44Å; L687-L851 HydrophobicContact CD2-CG 4.49Å; L687-V855 HydrophobicContact CD1-CG2 4.35Å; L687-V855 HydrophobicContact CD2-CG2 4.28Å
688V96.8Very high90.6Very high0 Ų047.3 Ų47.30%025%0.252CS..EExtended strand (participates in β ladder)trans-106122.5-179.6-173.50000109.6T686 L690 L780 V782 L787 L790 P797 F798 V799 V800T686-V688 HydrophobicContact CG2-CG2 3.85Å; V688-L690 HydrophobicContact CG1-CD2 4.04Å; V688-L690 HydrophobicContact CG1-CG 4.15Å; V688-L780 HydrophobicContact CG2-CD1 4.49Å; V688-V782 HydrophobicContact CG1-CG2 3.74Å; V688-L787 HydrophobicContact CB-CD2 4.45Å; V688-L787 HydrophobicContact CG1-CD2 4.05Å; V688-L787 HydrophobicContact CG2-CD2 4.25Å; V688-L790 HydrophobicContact CG2-CD1 4.05Å; V688-P797 HydrophobicContact CG2-CB 3.74Å; V688-F798 PolarHBondContact N-O 2.74Å; V688-V799 HydrophobicContact CB-CG2 4.38Å; V688-V800 PolarHBondContact O-N 2.63Å
689L96.3Very high90.7Very high0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-105.199.7179.3-58.4-177.4000110L687 R697 I700 K701 I779 L780 V800 L851L687-L689 HydrophobicContact CD1-CD2 3.99Å; L687-L689 HydrophobicContact CD2-CD2 4.29Å; L687-L689 HydrophobicContact CG-CD2 4.04Å; L687-L689 HydrophobicContact CG-CG 4.43Å; L689-R697 WeakPolarHBondContact O-CD 3.4Å; L689-R697 PolarHBondContact O-NH1 3.02Å; L689-I700 HydrophobicContact CD1-CG2 4.08Å; L689-K701 HydrophobicContact CD1-CB 4.29Å; L689-I779 HydrophobicContact CD1-CG2 3.84Å; L689-I779 HydrophobicContact CG-CG2 4.12Å; L689-L780 PolarHBondContact N-O 2.85Å; L689-V800 HydrophobicContact CD2-CB 4.3Å; L689-L851 HydrophobicContact CD2-CD2 3.85Å
690L95.1Very high90.9Very high2 Ų245.5 Ų45.51%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-95.3158.7172.9-61.8-174.1000110.9V688 R697 V782 P784 L787 V799 V800 F801 I802 F835V688-L690 HydrophobicContact CG1-CD2 4.04Å; V688-L690 HydrophobicContact CG1-CG 4.15Å; L690-R697 VanDerWaalsContact C-CD 3.45Å; L690-V782 HydrophobicContact CD2-CG2 4.42Å; L690-V782 WeakPolarHBondContact CD2-O 3.5Å; L690-P784 HydrophobicContact CD1-CB 4.16Å; L690-P784 HydrophobicContact CD1-CG 4.23Å; L690-P784 HydrophobicContact CD2-CG 4.27Å; L690-L787 HydrophobicContact CD1-CD1 3.82Å; L690-L787 HydrophobicContact CD1-CG 4.49Å; L690-V799 HydrophobicContact CD1-CG1 3.92Å; L690-V799 HydrophobicContact CG-CG1 4.33Å; L690-V800 PolarHBondContact N-O 2.79Å; L690-F801 HydrophobicContact CB-CD2 4.03Å; L690-I802 PolarHBondContact O-N 2.79Å; L690-F835 HydrophobicContact CD1-CD1 4.28Å; L690-F835 HydrophobicContact CD1-CE1 3.81Å
691G93.1Very high91.5Very high5 Ų541.2 Ų41.25%0.05222%0.215CC..  trans145.4161-17700000112.8R697 I802G691-R697 PolarHBondContact O-NE 3.25Å; G691-R697 PolarHBondContact O-NH2 3.02Å; G691-I802 WeakPolarHBondContact CA-O 3.46Å
692A91.4Very high92.1Very high1 Ų141.9 Ų41.91%0.00821%0.21CC..  trans-61.2154.1-173.100000114.3G694 V695 L820 E823 L827A692-G694 PolarHBondContact O-N 3.31Å; A692-G694 VanDerWaalsContact O-N 3.11Å; A692-V695 WeakPolarHBondContact O-CB 3.47Å; A692-V695 VanDerWaalsContact O-CG1 3.25Å; A692-V695 WeakPolarHBondContact O-CG1 3.34Å; A692-V695 PolarHBondContact O-N 3.13Å; A692-V695 VanDerWaalsContact O-N 3.09Å; A692-L820 HydrophobicContact CB-CD1 3.77Å; A692-E823 WeakPolarHBondContact CA-OE1 3.03Å; A692-E823 HydrophobicContact CB-CB 3.86Å; A692-E823 HydrophobicContact CB-CG 3.88Å; A692-E823 WeakPolarHBondContact CB-OE1 3.39Å; A692-L827 HydrophobicContact CB-CD1 4.32Å
693H88.4Confident92.5Very high129 Ų12942.2 Ų42.260%0.59722%0.215SC*.THydrogen-bonded Turntrans-61.1113.5173.5-71.2-78.6000110.5L820 E823H693-L820 VanDerWaalsContact O-CD1 3.31Å; H693-L820 WeakPolarHBondContact O-CD1 3.1Å; H693-E823 IonicContact CD2-OE1 2.89Å; H693-E823 PolarHBondContact CD2-OE1 3.06Å; H693-E823 VanDerWaalsContact CD2-OE1 3.24Å; H693-E823 IonicContact CG-OE1 3.86Å; H693-E823 PolarHBondContact N-OE1 3.02Å
694G86.7Confident92.9Very high71 Ų7136.5 Ų36.573%0.73219%0.19SC*.THydrogen-bonded Turntrans111.3-15.3-176.900000114.7A692 G696A692-G694 PolarHBondContact O-N 3.31Å; A692-G694 VanDerWaalsContact O-N 3.11Å; G694-G696 PolarHBondContact O-N 2.97Å
695V90.2Very high93.1Very high5 Ų537.6 Ų37.63%0.0320%0.197CC..SBendtrans-72.519.7-174.183.80000115.3A692 R697 I802 A803 L820 N841A692-V695 WeakPolarHBondContact O-CB 3.47Å; A692-V695 VanDerWaalsContact O-CG1 3.25Å; A692-V695 WeakPolarHBondContact O-CG1 3.34Å; A692-V695 PolarHBondContact O-N 3.13Å; A692-V695 VanDerWaalsContact O-N 3.09Å; V695-R697 HydrophobicContact CG1-CG 3.68Å; V695-R697 PolarHBondContact O-N 2.83Å; V695-I802 HydrophobicContact CG1-CB 4.09Å; V695-I802 HydrophobicContact CG1-CG2 3.98Å; V695-I802 WeakPolarHBondContact CG1-O 3.25Å; V695-I802 HydrophobicContact CG2-CG2 4.09Å; V695-A803 WeakPolarHBondContact CG2-O 3.5Å; V695-L820 HydrophobicContact CB-CD1 4.13Å; V695-N841 HydrophobicContact CG2-CB 4.41Å; V695-N841 PolarHBondContact O-ND2 3.33Å
696G90.4Very high93.2Very high18 Ų1839.8 Ų39.819%0.18622%0.216CC..SBendtrans84.3-1.9173.700000116.7G694 R698 H699 I700G694-G696 PolarHBondContact O-N 2.97Å; G696-R698 VanDerWaalsContact C-N 3.3Å; G696-R698 PolarHBondContact O-N 3.15Å; G696-R698 VanDerWaalsContact O-N 3.11Å; G696-H699 WeakPolarHBondContact O-CA 3.41Å; G696-H699 WeakPolarHBondContact O-CB 3.36Å; G696-H699 PolarHBondContact O-N 3.47Å; G696-I700 PolarHBondContact O-N 3.07Å
697R92.9Very high93.1Very high31 Ų3145.3 Ų45.312%0.11724%0.24CC..Hα-helixtrans-46.3-46.5-175.4-57.8-166-73.4119.2-2.2114.5L689 L690 G691 V695 H699 I700 K701 D781 V782 I802L689-R697 WeakPolarHBondContact O-CD 3.4Å; L689-R697 PolarHBondContact O-NH1 3.02Å; L690-R697 VanDerWaalsContact C-CD 3.45Å; G691-R697 PolarHBondContact O-NE 3.25Å; G691-R697 PolarHBondContact O-NH2 3.02Å; V695-R697 HydrophobicContact CG1-CG 3.68Å; V695-R697 PolarHBondContact O-N 2.83Å; R697-H699 VanDerWaalsContact C-N 3.34Å; R697-H699 PolarHBondContact O-N 3.22Å; R697-I700 PolarHBondContact O-N 2.92Å; R697-K701 WeakPolarHBondContact O-CB 3.11Å; R697-K701 PolarHBondContact O-N 2.92Å; R697-D781 PolarHBondContact NH1-O 2.83Å; R697-V782 PolarHBondContact NH1-O 3.46Å; R697-I802 HydrophobicContact CG-CB 4.49Å
698R90.4Very high93Very high185 Ų18547 Ų4770%0.69825%0.248SC*.Hα-helixtrans-63.9-34.9177.9-177.8177176.8177.40.6113.2G696 N702G696-R698 VanDerWaalsContact C-N 3.3Å; G696-R698 PolarHBondContact O-N 3.15Å; G696-R698 VanDerWaalsContact O-N 3.11Å; R698-N702 WeakPolarHBondContact O-CB 3.43Å; R698-N702 PolarHBondContact O-N 2.7Å; R698-N702 VanDerWaalsContact O-N 3.14Å; R698-N702 PolarHBondContact O-OD1 3.47Å
699H92.1Very high92.8Very high101 Ų10151.3 Ų51.347%0.46828%0.276SS..Hα-helixtrans-70.8-51176.1-174.497.1000110.2G696 R697 K701 N702 T703G696-H699 WeakPolarHBondContact O-CA 3.41Å; G696-H699 WeakPolarHBondContact O-CB 3.36Å; G696-H699 PolarHBondContact O-N 3.47Å; R697-H699 VanDerWaalsContact C-N 3.34Å; R697-H699 PolarHBondContact O-N 3.22Å; H699-K701 VanDerWaalsContact C-N 3.31Å; H699-K701 PolarHBondContact O-N 3.02Å; H699-N702 PolarHBondContact O-N 3.26Å; H699-N702 VanDerWaalsContact O-N 3.11Å; H699-T703 PolarHBondContact NE2-OG1 2.66Å; H699-T703 PolarHBondContact O-N 2.97Å; H699-T703 PolarHBondContact O-OG1 3.38Å; H699-T703 VanDerWaalsContact O-OG1 3.14Å
700I94.2Very high92.7Very high0 Ų057 Ų570%031%0.306CS..Hα-helixtrans-50.9-50.8176-65.7164.5000110.7L689 G696 R697 N702 T703 L704 I802 I844 T847 I848 L851L689-I700 HydrophobicContact CD1-CG2 4.08Å; G696-I700 PolarHBondContact O-N 3.07Å; R697-I700 PolarHBondContact O-N 2.92Å; I700-N702 PolarHBondContact O-N 3.11Å; I700-T703 PolarHBondContact O-N 2.64Å; I700-L704 HydrophobicContact CG2-CD1 4.17Å; I700-L704 WeakPolarHBondContact O-CG 3.03Å; I700-L704 PolarHBondContact O-N 3.44Å; I700-I802 HydrophobicContact CD1-CD1 4.49Å; I700-I802 HydrophobicContact CD1-CG1 4.39Å; I700-I802 HydrophobicContact CD1-CG2 4.17Å; I700-I844 HydrophobicContact CG1-CG2 3.96Å; I700-T847 HydrophobicContact CD1-CG2 3.79Å; I700-I848 HydrophobicContact CB-CG1 4.41Å; I700-I848 HydrophobicContact CG1-CG1 4.16Å; I700-I848 HydrophobicContact CG2-CG1 4.17Å; I700-L851 HydrophobicContact CG2-CD2 3.62Å
701K94.3Very high92.6Very high13 Ų1360.5 Ų60.56%0.05732%0.319CS..Hα-helixtrans-54.7-52.9175.8-179-179.689.4-176.10112.6L689 R697 H699 T703 L704 I705 Y714 I779 D781L689-K701 HydrophobicContact CD1-CB 4.29Å; R697-K701 WeakPolarHBondContact O-CB 3.11Å; R697-K701 PolarHBondContact O-N 2.92Å; H699-K701 VanDerWaalsContact C-N 3.31Å; H699-K701 PolarHBondContact O-N 3.02Å; K701-T703 PolarHBondContact O-N 3.42Å; K701-L704 PolarHBondContact O-N 3.01Å; K701-I705 HydrophobicContact CG-CD1 3.94Å; K701-I705 WeakPolarHBondContact O-CG1 3.43Å; K701-I705 PolarHBondContact O-N 2.97Å; K701-I705 VanDerWaalsContact O-N 3.15Å; K701-Y714 HydrophobicContact CD-CD2 3.58Å; K701-Y714 HydrophobicContact CD-CE2 3.83Å; K701-Y714 HydrophobicContact CD-CG 4.41Å; K701-Y714 VanDerWaalsContact NZ-CZ 3.32Å; K701-I779 HydrophobicContact CB-CG2 4.33Å; K701-I779 HydrophobicContact CD-CG2 4.35Å; K701-I779 HydrophobicContact CG-CB 4.26Å; K701-I779 HydrophobicContact CG-CG2 3.82Å; K701-D781 HydrophobicContact CD-CB 4.21Å; K701-D781 WeakPolarHBondContact CD-OD1 3.31Å; K701-D781 WeakPolarHBondContact CE-OD2 3.34Å; K701-D781 IonicContact NZ-OD1 3.33Å; K701-D781 PolarHBondContact NZ-OD1 3.37Å; K701-D781 IonicContact NZ-OD2 3.59Å; K701-D781 PolarHBondContact NZ-OD2 3.5Å
702N93.4Very high92.7Very high74 Ų7460.4 Ų60.440%0.39632%0.318SS..Hα-helixtrans-64.7-40.3-177-75.614.1000111.8R698 H699 I700 T706R698-N702 WeakPolarHBondContact O-CB 3.43Å; R698-N702 PolarHBondContact O-N 2.7Å; R698-N702 VanDerWaalsContact O-N 3.14Å; R698-N702 PolarHBondContact O-OD1 3.47Å; H699-N702 PolarHBondContact O-N 3.26Å; H699-N702 VanDerWaalsContact O-N 3.11Å; I700-N702 PolarHBondContact O-N 3.11Å; N702-T706 WeakPolarHBondContact O-CB 3.31Å; N702-T706 PolarHBondContact O-N 3.42Å; N702-T706 PolarHBondContact O-OG1 3.3Å
703T94.7Very high93Very high41 Ų4161.3 Ų61.325%0.25233%0.325SS..Hα-helixtrans-66.5-42.5178.3-57.80000111.3H699 I700 K701 I705 T706 K707 I848H699-T703 PolarHBondContact NE2-OG1 2.66Å; H699-T703 PolarHBondContact O-N 2.97Å; H699-T703 PolarHBondContact O-OG1 3.38Å; H699-T703 VanDerWaalsContact O-OG1 3.14Å; I700-T703 PolarHBondContact O-N 2.64Å; K701-T703 PolarHBondContact O-N 3.42Å; T703-I705 PolarHBondContact O-N 3.47Å; T703-T706 PolarHBondContact O-N 3.07Å; T703-K707 WeakPolarHBondContact O-CB 3.37Å; T703-K707 PolarHBondContact O-N 3.35Å; T703-I848 HydrophobicContact CG2-CD1 3.85Å
704L94.5Very high93.3Very high1 Ų158.7 Ų58.71%0.00531%0.31CS..Hα-helixtrans-59.6-46.5175.2-75.1172.3000112.8L687 I700 K701 T706 K707 H708 F712 I779 I848 L851 E852L687-L704 HydrophobicContact CD2-CD1 4.18Å; I700-L704 HydrophobicContact CG2-CD1 4.17Å; I700-L704 WeakPolarHBondContact O-CG 3.03Å; I700-L704 PolarHBondContact O-N 3.44Å; K701-L704 PolarHBondContact O-N 3.01Å; L704-T706 VanDerWaalsContact C-N 3.33Å; L704-T706 PolarHBondContact O-N 3.39Å; L704-K707 PolarHBondContact O-N 3.3Å; L704-H708 PolarHBondContact O-N 3.14Å; L704-F712 HydrophobicContact CB-CD2 4.2Å; L704-F712 HydrophobicContact CB-CE2 4.49Å; L704-F712 HydrophobicContact CD2-CE2 4.23Å; L704-I779 HydrophobicContact CB-CD1 3.77Å; L704-I779 HydrophobicContact CD1-CD1 3.89Å; L704-I848 HydrophobicContact CD2-CG2 4.18Å; L704-L851 HydrophobicContact CD1-CD2 3.72Å; L704-L851 HydrophobicContact CD1-CG 4.26Å; L704-E852 HydrophobicContact CD2-CG 3.68Å
705I94.1Very high93.7Very high39 Ų3955.3 Ų55.320%0.228%0.276CS..Hα-helixtrans-66.4-36.1178.5-64.7165.9000111.4K701 T703 P709 F712 I779K701-I705 HydrophobicContact CG-CD1 3.94Å; K701-I705 WeakPolarHBondContact O-CG1 3.43Å; K701-I705 PolarHBondContact O-N 2.97Å; K701-I705 VanDerWaalsContact O-N 3.15Å; T703-I705 PolarHBondContact O-N 3.47Å; I705-P709 WeakPolarHBondContact O-CA 3.34Å; I705-F712 HydrophobicContact CG1-CB 4.05Å; I705-I779 HydrophobicContact CG1-CD1 4.07Å
706T94.8Very high93.9Very high117 Ų11757 Ų5772%0.71828%0.284SS*.Hα-helixtrans-73.3-32.6178.8-53.40000112N702 T703 L704N702-T706 WeakPolarHBondContact O-CB 3.31Å; N702-T706 PolarHBondContact O-N 3.42Å; N702-T706 PolarHBondContact O-OG1 3.3Å; T703-T706 PolarHBondContact O-N 3.07Å; L704-T706 VanDerWaalsContact C-N 3.33Å; L704-T706 PolarHBondContact O-N 3.39Å
707K94.5Very high94.1Very high117 Ų11757.2 Ų57.251%0.50928%0.282SS..Hα-helixtrans-83.9-33.9-177.6-171.1179.1172-167.70113T703 L704 E852T703-K707 WeakPolarHBondContact O-CB 3.37Å; T703-K707 PolarHBondContact O-N 3.35Å; L704-K707 PolarHBondContact O-N 3.3Å; K707-E852 VanDerWaalsContact CD-OE1 3.29Å; K707-E852 WeakPolarHBondContact CD-OE1 3.47Å; K707-E852 WeakPolarHBondContact CE-OE1 3.47Å; K707-E852 IonicContact NZ-OE1 2.73Å; K707-E852 PolarHBondContact NZ-OE1 3.38Å; K707-E852 IonicContact NZ-OE2 3.91Å; K707-E852 PolarHBondContact NZ-OE2 3.38Å
708H93.9Very high94.2Very high37 Ų3756.7 Ų56.717%0.17128%0.281CS..  trans-135.368.3177.7-43.8-102.5000112L704 D710 R711 F712 E852L704-H708 PolarHBondContact O-N 3.14Å; H708-D710 WeakPolarHBondContact CA-OD1 3.38Å; H708-D710 PolarHBondContact O-N 3.04Å; H708-R711 HydrophobicContact CB-CB 3.87Å; H708-R711 HydrophobicContact CB-CG 4.08Å; H708-R711 PolarHBondContact O-N 3.21Å; H708-F712 HydrophobicContact CB-CD2 4.02Å; H708-F712 HydrophobicContact CB-CE2 4.35Å; H708-F712 PolarHBondContact O-N 2.77Å; H708-E852 IonicContact CD2-OE1 3.7Å; H708-E852 IonicContact CE1-OE1 3.75Å; H708-E852 IonicContact NE2-OE1 3.18Å; H708-E852 PolarHBondContact NE2-OE1 2.87Å
709P94.1Very high94.5Very high90 Ų9047.9 Ų47.958%0.58425%0.248SC*.THydrogen-bonded Turntrans-66.7-15.1-179.329-36.4000113.5I705I705-P709 WeakPolarHBondContact O-CA 3.34Å
710D93.8Very high94.7Very high119 Ų11944.4 Ų44.464%0.63623%0.233SC*.THydrogen-bonded Turntrans-83.2-9.3172.466.4-52.4000113.6H708 L776H708-D710 WeakPolarHBondContact CA-OD1 3.38Å; H708-D710 PolarHBondContact O-N 3.04Å; D710-L776 VanDerWaalsContact C-CD2 3.45Å; D710-L776 WeakPolarHBondContact O-CD2 3.36Å
711R93.1Very high94.7Very high76 Ų7646.2 Ų46.229%0.28724%0.24SC..THydrogen-bonded Turntrans-116-35.3-179.8-64.3177.263.5178.63.9113.2H708 I777H708-R711 HydrophobicContact CB-CB 3.87Å; H708-R711 HydrophobicContact CB-CG 4.08Å; H708-R711 PolarHBondContact O-N 3.21Å; R711-I777 PolarHBondContact O-N 3.09Å
712F95.7Very high94.5Very high4 Ų450.3 Ų50.32%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-127.3139.4-169.7-61.9-67.1000113.4L687 L704 I705 H708 I777 I779 V855L687-F712 HydrophobicContact CD2-CE1 4.38Å; L704-F712 HydrophobicContact CB-CD2 4.2Å; L704-F712 HydrophobicContact CB-CE2 4.49Å; L704-F712 HydrophobicContact CD2-CE2 4.23Å; I705-F712 HydrophobicContact CG1-CB 4.05Å; H708-F712 HydrophobicContact CB-CD2 4.02Å; H708-F712 HydrophobicContact CB-CE2 4.35Å; H708-F712 PolarHBondContact O-N 2.77Å; F712-I777 WeakPolarHBondContact CA-O 3.37Å; F712-I777 HydrophobicContact CD1-CB 3.77Å; F712-I777 HydrophobicContact CD1-CG2 3.93Å; F712-I777 HydrophobicContact CE1-CB 3.99Å; F712-I777 HydrophobicContact CE1-CD1 4.07Å; F712-I777 HydrophobicContact CE1-CG2 3.95Å; F712-I779 HydrophobicContact CB-CD1 3.77Å; F712-I779 HydrophobicContact CB-CG1 4.04Å; F712-I779 HydrophobicContact CD1-CD1 3.71Å; F712-I779 HydrophobicContact CD1-CG1 3.73Å; F712-I779 HydrophobicContact CD2-CD1 4.46Å; F712-I779 HydrophobicContact CE1-CD1 4.42Å; F712-I779 HydrophobicContact CG-CD1 3.75Å; F712-I779 HydrophobicContact CG-CG1 4.14Å; F712-V855 HydrophobicContact CE1-CG1 4.35Å; F712-V855 HydrophobicContact CZ-CG1 4.2Å
713A96.3Very high94.5Very high20 Ų2050.2 Ų50.217%0.16527%0.272CS..EExtended strand (participates in β ladder)trans-138.9161.9170.300000112.2I771 L776 I777 A778 I779A713-I771 HydrophobicContact CB-CD1 3.98Å; A713-I771 HydrophobicContact CB-CG1 4.09Å; A713-I771 HydrophobicContact CB-CG2 3.93Å; A713-L776 HydrophobicContact CB-CD1 4.05Å; A713-I777 PolarHBondContact N-O 3.5Å; A713-A778 WeakPolarHBondContact O-CA 3.12Å; A713-I779 PolarHBondContact O-N 3.29Å
714Y95Very high94.4Very high74 Ų7454.7 Ų54.729%0.2929%0.287SS..  trans-111.1134174.6-176.5-108.8000110.1K701 I716 I779 D781K701-Y714 HydrophobicContact CD-CD2 3.58Å; K701-Y714 HydrophobicContact CD-CE2 3.83Å; K701-Y714 HydrophobicContact CD-CG 4.41Å; K701-Y714 VanDerWaalsContact NZ-CZ 3.32Å; Y714-I716 PolarHBondContact O-N 2.6Å; Y714-I779 VanDerWaalsContact CD2-O 3.28Å; Y714-I779 WeakPolarHBondContact CD2-O 3.25Å; Y714-D781 WeakPolarHBondContact CE2-OD1 3.42Å
715P95Very high94Very high0 Ų064.6 Ų64.60%033%0.331CS..PPolyproline II helixtrans-65.7121.1175.628.3-36.6000110.8P717 T763 T767 I768 I771 L780P715-P717 WeakPolarHBondContact O-CD 3.33Å; P715-T763 HydrophobicContact CB-CG2 4.03Å; P715-T763 HydrophobicContact CG-CG2 3.7Å; P715-T767 HydrophobicContact CB-CG2 3.94Å; P715-I768 HydrophobicContact CB-CG1 3.93Å; P715-I768 HydrophobicContact CG-CG1 4.08Å; P715-I771 HydrophobicContact CB-CD1 4.16Å; P715-L780 HydrophobicContact CG-CD2 3.46Å; P715-L780 VanDerWaalsContact CG-CD2 3.46Å
716I94.3Very high93.9Very high41 Ų4170 Ų7021%0.2136%0.36CS..PPolyproline II helixtrans-62.1117.9175.6-56.5177.1000109.2Y714 G730 Y734 T767Y714-I716 PolarHBondContact O-N 2.6Å; I716-G730 WeakPolarHBondContact CD1-O 3.31Å; I716-Y734 HydrophobicContact CB-CD2 4.05Å; I716-Y734 HydrophobicContact CB-CE2 3.84Å; I716-Y734 HydrophobicContact CG2-CD2 3.81Å; I716-Y734 HydrophobicContact CG2-CE2 3.97Å; I716-T767 HydrophobicContact CB-CG2 4.29Å; I716-T767 PolarHBondContact O-OG1 2.74Å
717P94.3Very high93.7Very high22 Ų2266.3 Ų66.314%0.14333%0.334CS..PPolyproline II helixtrans-72.8157.2-177.929.8-34.5000111.3P715 Y733 Y734 G762P715-P717 WeakPolarHBondContact O-CD 3.33Å; P717-Y733 HydrophobicContact CB-CD1 4.42Å; P717-Y733 HydrophobicContact CG-CD1 3.76Å; P717-Y733 HydrophobicContact CG-CE1 3.75Å; P717-Y733 CarbonylContact O-C 3.46Å; P717-Y733 VanDerWaalsContact O-CA 3.25Å; P717-Y733 WeakPolarHBondContact O-CA 3.36Å; P717-Y734 PolarHBondContact O-N 3.26Å; P717-G762 CarbonylContact C-O 3.52Å; P717-G762 WeakPolarHBondContact CA-O 3.33Å
718H96.3Very high93.5Very high20 Ų2066.1 Ų66.19%0.09334%0.335CS..EExtended strand (participates in β ladder)trans-96.6153.9173.4-62.939.7000110.2Y734 V736 Y750 Y761 G762 T767H718-Y734 CarbonylContact C-O 3.51Å; H718-Y734 WeakPolarHBondContact CA-O 3.39Å; H718-Y734 AromaticContact CE1-CD2 3.54Å; H718-Y734 AromaticContact CE1-CG 3.91Å; H718-Y734 AromaticContact ND1-CD2 3.81Å; H718-V736 HydrophobicContact CB-CG2 4.35Å; H718-Y750 HydrophobicContact CB-CE1 3.97Å; H718-Y750 WeakPolarHBondContact CB-OH 3.49Å; H718-Y750 PolarHBondContact CD2-OH 3.14Å; H718-Y761 WeakPolarHBondContact O-CA 3.39Å; H718-G762 PolarHBondContact N-O 3.17Å; H718-G762 PolarHBondContact O-N 3.07Å; H718-T767 PolarHBondContact CE1-OG1 3.15Å
719T96.1Very high93.3Very high0 Ų069.3 Ų69.30%035%0.354CS..EExtended strand (participates in β ladder)trans-148.2151.2174.1-173.40000113.2R721 Y733 Y734 F735 V736 M760 Y761T719-R721 HydrophobicContact CG2-CB 4.18Å; T719-R721 PolarHBondContact OG1-N 3.28Å; T719-R721 VanDerWaalsContact OG1-N 3.13Å; T719-Y733 HydrophobicContact CG2-CD1 3.95Å; T719-Y733 HydrophobicContact CG2-CG 3.96Å; T719-Y734 PolarHBondContact N-O 2.83Å; T719-F735 HydrophobicContact CG2-CD1 3.58Å; T719-F735 HydrophobicContact CG2-CE1 3.73Å; T719-V736 WeakPolarHBondContact O-CG2 3.28Å; T719-V736 PolarHBondContact O-N 2.83Å; T719-M760 WeakPolarHBondContact CA-O 3.25Å; T719-M760 WeakPolarHBondContact CB-O 3.39Å; T719-M760 PolarHBondContact OG1-O 2.9Å; T719-Y761 HydrophobicContact CG2-CE1 4.25Å; T719-Y761 WeakPolarHBondContact OG1-CD1 3.35Å; T719-Y761 WeakPolarHBondContact OG1-CE1 3.4Å
720T96Very high92.9Very high27 Ų2766.2 Ų66.217%0.16634%0.338CS..SBendtrans-89.1-1.7170.772.30000113.3V736 H738 M741 M760T720-V736 WeakPolarHBondContact CA-O 3.39Å; T720-H738 HydrophobicContact CG2-CB 4.29Å; T720-M741 HydrophobicContact CG2-CB 3.87Å; T720-M741 HydrophobicContact CG2-CG 4.32Å; T720-M741 HydrophobicContact CG2-SD 3.64Å; T720-M760 HydrophobicContact CG2-CB 3.95Å; T720-M760 PolarHBondContact N-O 3.32Å; T720-M760 PolarHBondContact OG1-N 3.44Å
721R94.7Very high92.6Very high39 Ų3966.7 Ų66.715%0.14733%0.334CS..SBendtrans-69.8136.7174-174.5-177.453.182.9-13.1109.4T719 E727 F735 A759 Y761T719-R721 HydrophobicContact CG2-CB 4.18Å; T719-R721 PolarHBondContact OG1-N 3.28Å; T719-R721 VanDerWaalsContact OG1-N 3.13Å; R721-E727 IonicContact CZ-OE1 3.59Å; R721-E727 IonicContact CZ-OE2 2.73Å; R721-E727 IonicContact NH1-OE1 2.7Å; R721-E727 IonicContact NH1-OE2 2.77Å; R721-E727 PolarHBondContact NH1-OE2 2.97Å; R721-E727 VanDerWaalsContact NH2-CD 3.34Å; R721-E727 IonicContact NH2-OE1 3.2Å; R721-E727 PolarHBondContact NH2-OE1 3.43Å; R721-E727 IonicContact NH2-OE2 3.84Å; R721-E727 PolarHBondContact NH2-OE2 3.36Å; R721-E727 VanDerWaalsContact NH2-OE2 3.12Å; R721-F735 WeakPolarHBondContact O-CD1 3.48Å; R721-A759 HydrophobicContact CB-CB 3.72Å; R721-Y761 WeakPolarHBondContact CD-OH 3.13Å; R721-Y761 PolarHBondContact NE-OH 3.28Å
722P91.1Very high92.4Very high98 Ų9867.6 Ų67.664%0.63635%0.345SS*.PPolyproline II helixtrans-62.9147.7171.726.3-34.7000112
723P92.8Very high92.3Very high73 Ų7370.7 Ų70.747%0.47436%0.357SS..PPolyproline II helixtrans-64.1142.5175.526.4-34.3000111.7E727 F735P723-E727 HydrophobicContact CB-CB 4.36Å; P723-F735 HydrophobicContact CB-CD1 4.3Å; P723-F735 HydrophobicContact CB-CD2 3.94Å; P723-F735 HydrophobicContact CB-CE1 4.1Å; P723-F735 HydrophobicContact CB-CE2 3.74Å; P723-F735 HydrophobicContact CB-CG 4.21Å; P723-F735 HydrophobicContact CB-CZ 3.82Å; P723-F735 HydrophobicContact CG-CD2 4.45Å; P723-F735 HydrophobicContact CG-CG 4.47Å
724K92.2Very high92.3Very high134 Ų13473.4 Ų73.458%0.58336%0.363SS*.PPolyproline II helixtrans-77.8165.7166.3-65165-176.8172.70109.7D726 E727K724-D726 PolarHBondContact O-N 3.07Å; K724-E727 HydrophobicContact CB-CB 4.49Å; K724-E727 HydrophobicContact CB-CG 4.02Å; K724-E727 WeakPolarHBondContact CB-OE2 3.07Å; K724-E727 WeakPolarHBondContact CG-OE2 3.47Å; K724-E727 PolarHBondContact N-OE2 3.21Å; K724-E727 PolarHBondContact O-N 3.11Å
725K86.6Confident92.3Very high210 Ų21071.7 Ų71.791%0.91336%0.358SS*.THydrogen-bonded Turntrans-54.5-29.5-175.2-69.8-174.1175.3-1770114.5
726D90.4Very high92.4Very high153 Ų15373.6 Ų73.682%0.81837%0.369SS*.THydrogen-bonded Turntrans-108.112.6-175.6-38.2-77.5000112.6K724K724-D726 PolarHBondContact O-N 3.07Å
727E91.4Very high92.4Very high38 Ų3874.8 Ų74.818%0.17838%0.381CS..  trans-105.5113.4-178.8-72.3-180144.300112.4R721 P723 K724 F735R721-E727 IonicContact CZ-OE1 3.59Å; R721-E727 IonicContact CZ-OE2 2.73Å; R721-E727 IonicContact NH1-OE1 2.7Å; R721-E727 IonicContact NH1-OE2 2.77Å; R721-E727 PolarHBondContact NH1-OE2 2.97Å; R721-E727 VanDerWaalsContact NH2-CD 3.34Å; R721-E727 IonicContact NH2-OE1 3.2Å; R721-E727 PolarHBondContact NH2-OE1 3.43Å; R721-E727 IonicContact NH2-OE2 3.84Å; R721-E727 PolarHBondContact NH2-OE2 3.36Å; R721-E727 VanDerWaalsContact NH2-OE2 3.12Å; P723-E727 HydrophobicContact CB-CB 4.36Å; K724-E727 HydrophobicContact CB-CB 4.49Å; K724-E727 HydrophobicContact CB-CG 4.02Å; K724-E727 WeakPolarHBondContact CB-OE2 3.07Å; K724-E727 WeakPolarHBondContact CG-OE2 3.47Å; K724-E727 PolarHBondContact N-OE2 3.21Å; K724-E727 PolarHBondContact O-N 3.11Å; E727-F735 HydrophobicContact CB-CE2 4.24Å; E727-F735 HydrophobicContact CB-CZ 3.91Å
728E90.2Very high92.4Very high114 Ų11478.3 Ų78.353%0.53340%0.395SS..  trans-88.4136.8176.3-65.2170.6142.500111.6K731E728-K731 HydrophobicContact CB-CB 4.17Å; E728-K731 HydrophobicContact CB-CD 4.04Å; E728-K731 WeakPolarHBondContact O-CB 3.35Å; E728-K731 PolarHBondContact O-N 3.24Å; E728-K731 WeakPolarHBondContact OE2-CD 3.48Å; E728-K731 WeakPolarHBondContact OE2-CE 3.42Å; E728-K731 IonicContact OE2-NZ 2.62Å; E728-K731 PolarHBondContact OE2-NZ 3.24Å
729N90.6Very high92.2Very high104 Ų10483.3 Ų83.356%0.55642%0.423SS*.BIsolated β-bridgetrans-66.8133177.7-176.754.1000111.5K731 Y734 F735N729-K731 VanDerWaalsContact C-N 3.33Å; N729-Y734 WeakPolarHBondContact OD1-CA 3.18Å; N729-F735 HydrophobicContact CB-CD2 3.98Å; N729-F735 PolarHBondContact OD1-N 3.34Å
730G85.9Confident92.1Very high24 Ų2487.1 Ų87.125%0.24744%0.44CS..THydrogen-bonded Turntrans77.116.1-177.500000114.5I716 Y733 Y734I716-G730 WeakPolarHBondContact CD1-O 3.31Å; G730-Y733 PolarHBondContact N-O 3.41Å; G730-Y734 VanDerWaalsContact CA-CE1 3.41Å
731K86.7Confident92Very high129 Ų12985.8 Ų85.856%0.56143%0.432SS*.THydrogen-bonded Turntrans-109.4-64.6175.7-170.7175.9-1681750112.1E728 N729E728-K731 HydrophobicContact CB-CB 4.17Å; E728-K731 HydrophobicContact CB-CD 4.04Å; E728-K731 WeakPolarHBondContact O-CB 3.35Å; E728-K731 PolarHBondContact O-N 3.24Å; E728-K731 WeakPolarHBondContact OE2-CD 3.48Å; E728-K731 WeakPolarHBondContact OE2-CE 3.42Å; E728-K731 IonicContact OE2-NZ 2.62Å; E728-K731 PolarHBondContact OE2-NZ 3.24Å; N729-K731 VanDerWaalsContact C-N 3.33Å
732N88.3Confident91.8Very high95 Ų9587.3 Ų87.351%0.50844%0.442SS..THydrogen-bonded Turntrans-100.2-33.6174.9-67.2-29.1000111.9
733Y94.1Very high91.9Very high69 Ų6987.7 Ų87.727%0.27144%0.435SS..BIsolated β-bridgetrans-145153.4177.4-66.5-83.3000110.2P717 T719 G730 F735 Y761P717-Y733 HydrophobicContact CB-CD1 4.42Å; P717-Y733 HydrophobicContact CG-CD1 3.76Å; P717-Y733 HydrophobicContact CG-CE1 3.75Å; P717-Y733 CarbonylContact O-C 3.46Å; P717-Y733 VanDerWaalsContact O-CA 3.25Å; P717-Y733 WeakPolarHBondContact O-CA 3.36Å; T719-Y733 HydrophobicContact CG2-CD1 3.95Å; T719-Y733 HydrophobicContact CG2-CG 3.96Å; G730-Y733 PolarHBondContact N-O 3.41Å; Y733-F735 HydrophobicContact CD2-CZ 4.46Å; Y733-Y761 HydrophobicContact CD1-CD1 4.26Å; Y733-Y761 HydrophobicContact CD1-CE1 4.37Å; Y733-Y761 AromaticContact CE1-CD1 3.72Å; Y733-Y761 HydrophobicContact CE1-CD1 3.72Å; Y733-Y761 AromaticContact CE1-CE1 3.8Å; Y733-Y761 HydrophobicContact CE1-CE1 3.8Å
734Y95.8Very high91.8Very high78 Ų7884.5 Ų84.531%0.30641%0.414SS..EExtended strand (participates in β ladder)trans-90.9120.1157-75.1-75.7000109.4I716 P717 H718 T719 N729 G730 T767I716-Y734 HydrophobicContact CB-CD2 4.05Å; I716-Y734 HydrophobicContact CB-CE2 3.84Å; I716-Y734 HydrophobicContact CG2-CD2 3.81Å; I716-Y734 HydrophobicContact CG2-CE2 3.97Å; P717-Y734 PolarHBondContact O-N 3.26Å; H718-Y734 CarbonylContact C-O 3.51Å; H718-Y734 WeakPolarHBondContact CA-O 3.39Å; H718-Y734 AromaticContact CE1-CD2 3.54Å; H718-Y734 AromaticContact CE1-CG 3.91Å; H718-Y734 AromaticContact ND1-CD2 3.81Å; T719-Y734 PolarHBondContact N-O 2.83Å; N729-Y734 WeakPolarHBondContact OD1-CA 3.18Å; G730-Y734 VanDerWaalsContact CA-CE1 3.41Å; Y734-T767 HydrophobicContact CE2-CG2 4.28Å
735F95.9Very high91.4Very high38 Ų3878.4 Ų78.417%0.16739%0.388CS..EExtended strand (participates in β ladder)trans-90.2119.6-178.2-60.6-71.8000110.1T719 R721 P723 E727 N729 Y733T719-F735 HydrophobicContact CG2-CD1 3.58Å; T719-F735 HydrophobicContact CG2-CE1 3.73Å; R721-F735 WeakPolarHBondContact O-CD1 3.48Å; P723-F735 HydrophobicContact CB-CD1 4.3Å; P723-F735 HydrophobicContact CB-CD2 3.94Å; P723-F735 HydrophobicContact CB-CE1 4.1Å; P723-F735 HydrophobicContact CB-CE2 3.74Å; P723-F735 HydrophobicContact CB-CG 4.21Å; P723-F735 HydrophobicContact CB-CZ 3.82Å; P723-F735 HydrophobicContact CG-CD2 4.45Å; P723-F735 HydrophobicContact CG-CG 4.47Å; E727-F735 HydrophobicContact CB-CE2 4.24Å; E727-F735 HydrophobicContact CB-CZ 3.91Å; N729-F735 HydrophobicContact CB-CD2 3.98Å; N729-F735 PolarHBondContact OD1-N 3.34Å; Y733-F735 HydrophobicContact CD2-CZ 4.46Å
736V95.9Very high91.3Very high40 Ų4072.3 Ų72.324%0.24237%0.372CS..  trans-129.7160.7-175.3-670000111.3H718 T719 T720 M741H718-V736 HydrophobicContact CB-CG2 4.35Å; T719-V736 WeakPolarHBondContact O-CG2 3.28Å; T719-V736 PolarHBondContact O-N 2.83Å; T720-V736 WeakPolarHBondContact CA-O 3.39Å; V736-M741 HydrophobicContact CG2-CB 4.04Å; V736-M741 HydrophobicContact CG2-SD 4.42Å
737S95.4Very high91.1Very high65 Ų6569 Ų6946%0.45535%0.354SS..  trans-72.8157171.568.20000111.3D739 Q740 M741S737-D739 VanDerWaalsContact C-N 3.32Å; S737-D739 PolarHBondContact O-N 3.37Å; S737-Q740 PolarHBondContact O-N 3.02Å; S737-Q740 VanDerWaalsContact OG-CB 3.25Å; S737-Q740 WeakPolarHBondContact OG-CB 3.35Å; S737-Q740 PolarHBondContact OG-N 2.95Å; S737-Q740 VanDerWaalsContact OG-N 3.15Å; S737-M741 PolarHBondContact O-N 2.81Å
738H93.3Very high90.8Very high96 Ų9670.5 Ų70.544%0.44436%0.363SS..Hα-helixtrans-59.8-43.8174.6-174.479.5000111.6T720 Q740 M741 M742 M760T720-H738 HydrophobicContact CG2-CB 4.29Å; H738-Q740 PolarHBondContact O-N 3.4Å; H738-M741 PolarHBondContact O-N 2.77Å; H738-M742 WeakPolarHBondContact O-CB 3.41Å; H738-M742 WeakPolarHBondContact O-CG 3.49Å; H738-M742 PolarHBondContact O-N 2.95Å; H738-M760 VanDerWaalsContact CE1-SD 3.54Å
739D92.8Very high90.9Very high125 Ų12568.3 Ų68.367%0.66835%0.353SS*.Hα-helixtrans-64.5-41.9-179.3-50.6-46.5000112.1S737 M742 Q743S737-D739 VanDerWaalsContact C-N 3.32Å; S737-D739 PolarHBondContact O-N 3.37Å; D739-M742 PolarHBondContact O-N 3.08Å; D739-Q743 WeakPolarHBondContact O-CB 3.32Å; D739-Q743 PolarHBondContact O-N 3.09Å
740Q94.5Very high90.9Very high80 Ų8063.7 Ų63.737%0.37433%0.328SS..Hα-helixtrans-63.7-45.6175.2-172.867.464.400110.9S737 H738 M742 Q743 D744S737-Q740 PolarHBondContact O-N 3.02Å; S737-Q740 VanDerWaalsContact OG-CB 3.25Å; S737-Q740 WeakPolarHBondContact OG-CB 3.35Å; S737-Q740 PolarHBondContact OG-N 2.95Å; S737-Q740 VanDerWaalsContact OG-N 3.15Å; H738-Q740 PolarHBondContact O-N 3.4Å; Q740-M742 VanDerWaalsContact C-N 3.33Å; Q740-M742 PolarHBondContact O-N 3.22Å; Q740-Q743 PolarHBondContact O-N 2.83Å; Q740-D744 PolarHBondContact NE2-OD1 3.38Å; Q740-D744 WeakPolarHBondContact O-CB 3.4Å; Q740-D744 PolarHBondContact O-N 3.49Å; Q740-D744 VanDerWaalsContact O-OD1 3.12Å
741M93.8Very high91.2Very high0 Ų063.5 Ų63.50%032%0.321CS..Hα-helixtrans-63.1-40.3178.5-172164.9-178.500111.7T720 V736 S737 H738 I745 Y750 M760T720-M741 HydrophobicContact CG2-CB 3.87Å; T720-M741 HydrophobicContact CG2-CG 4.32Å; T720-M741 HydrophobicContact CG2-SD 3.64Å; V736-M741 HydrophobicContact CG2-CB 4.04Å; V736-M741 HydrophobicContact CG2-SD 4.42Å; S737-M741 PolarHBondContact O-N 2.81Å; H738-M741 PolarHBondContact O-N 2.77Å; M741-I745 HydrophobicContact CE-CD1 4.15Å; M741-I745 HydrophobicContact CG-CD1 3.84Å; M741-I745 HydrophobicContact CG-CG1 4.49Å; M741-I745 VanDerWaalsContact O-CB 3.29Å; M741-I745 WeakPolarHBondContact O-CB 3.18Å; M741-I745 WeakPolarHBondContact O-CD1 3.27Å; M741-I745 WeakPolarHBondContact O-CG1 3.36Å; M741-I745 PolarHBondContact O-N 2.95Å; M741-Y750 HydrophobicContact CE-CD1 4.37Å; M741-Y750 HydrophobicContact CE-CE1 3.8Å; M741-Y750 HydrophobicContact CG-CE2 4.3Å; M741-M760 HydrophobicContact CE-CB 4.03Å; M741-M760 HydrophobicContact CE-CE 4.43Å; M741-M760 HydrophobicContact SD-CB 3.71Å
742M90.8Very high91.2Very high70 Ų7060 Ų6035%0.34531%0.307SS..Hα-helixtrans-66.7-36.3175.1-72.7-59.8-60.700112.7H738 D739 Q740 S746 M760H738-M742 WeakPolarHBondContact O-CB 3.41Å; H738-M742 WeakPolarHBondContact O-CG 3.49Å; H738-M742 PolarHBondContact O-N 2.95Å; D739-M742 PolarHBondContact O-N 3.08Å; Q740-M742 VanDerWaalsContact C-N 3.33Å; Q740-M742 PolarHBondContact O-N 3.22Å; M742-S746 PolarHBondContact O-N 2.79Å; M742-M760 HydrophobicContact SD-CE 3.84Å; M742-M760 HydrophobicContact SD-SD 3.86Å
743Q92Very high91.3Very high107 Ų10757.4 Ų57.450%0.529%0.29SS..Hα-helixtrans-64.8-53.3173.7-175.5177.29.800111.3D739 Q740 I745 S746 N747D739-Q743 WeakPolarHBondContact O-CB 3.32Å; D739-Q743 PolarHBondContact O-N 3.09Å; Q740-Q743 PolarHBondContact O-N 2.83Å; Q743-I745 PolarHBondContact O-N 3.5Å; Q743-S746 WeakPolarHBondContact O-CA 3.07Å; Q743-S746 WeakPolarHBondContact O-CB 3.12Å; Q743-S746 PolarHBondContact O-N 3.32Å; Q743-S746 PolarHBondContact O-OG 2.97Å; Q743-N747 PolarHBondContact O-N 2.99Å
744D91Very high91Very high6 Ų655.8 Ų55.83%0.03230%0.295CS..Hα-helixtrans-55.8-38.4176.8-67.94.1000112.2Q740 N747 N748 E749 Y750 K764Q740-D744 PolarHBondContact NE2-OD1 3.38Å; Q740-D744 WeakPolarHBondContact O-CB 3.4Å; Q740-D744 PolarHBondContact O-N 3.49Å; Q740-D744 VanDerWaalsContact O-OD1 3.12Å; D744-N747 PolarHBondContact O-N 3.28Å; D744-N748 PolarHBondContact O-N 3.47Å; D744-E749 HydrophobicContact CB-CB 4.39Å; D744-E749 WeakPolarHBondContact O-CB 3.49Å; D744-E749 PolarHBondContact O-N 3.47Å; D744-Y750 HydrophobicContact CB-CD2 3.89Å; D744-Y750 HydrophobicContact CB-CE2 3.48Å; D744-Y750 VanDerWaalsContact CB-CE2 3.48Å; D744-K764 IonicContact OD1-NZ 3.77Å; D744-K764 IonicContact OD2-NZ 2.75Å; D744-K764 PolarHBondContact OD2-NZ 3.2Å
745I85Confident90.6Very high6 Ų655.6 Ų55.63%0.03130%0.304CS..Hα-helixtrans-65.1-43.1174.5-75.5167.9000110.9Y657 M741 Q743 N747 N748 Y750 Y753 M760Y657-I745 HydrophobicContact CD1-CG2 3.88Å; Y657-I745 HydrophobicContact CE1-CG2 3.6Å; M741-I745 HydrophobicContact CE-CD1 4.15Å; M741-I745 HydrophobicContact CG-CD1 3.84Å; M741-I745 HydrophobicContact CG-CG1 4.49Å; M741-I745 VanDerWaalsContact O-CB 3.29Å; M741-I745 WeakPolarHBondContact O-CB 3.18Å; M741-I745 WeakPolarHBondContact O-CD1 3.27Å; M741-I745 WeakPolarHBondContact O-CG1 3.36Å; M741-I745 PolarHBondContact O-N 2.95Å; Q743-I745 PolarHBondContact O-N 3.5Å; I745-N747 PolarHBondContact O-N 3.3Å; I745-N748 PolarHBondContact O-N 2.93Å; I745-Y750 HydrophobicContact CG1-CD2 3.9Å; I745-Y750 HydrophobicContact CG1-CE2 4.41Å; I745-Y750 HydrophobicContact CG1-CG 4.3Å; I745-Y753 HydrophobicContact CB-CE1 4.41Å; I745-Y753 HydrophobicContact CD1-CD1 3.83Å; I745-Y753 HydrophobicContact CD1-CD2 3.6Å; I745-Y753 HydrophobicContact CD1-CE1 4.16Å; I745-Y753 HydrophobicContact CD1-CE2 3.88Å; I745-Y753 HydrophobicContact CD1-CG 3.6Å; I745-Y753 HydrophobicContact CG1-CD1 3.71Å; I745-Y753 HydrophobicContact CG1-CD2 4.22Å; I745-Y753 HydrophobicContact CG1-CE1 3.68Å; I745-Y753 HydrophobicContact CG1-CE2 4.14Å; I745-Y753 HydrophobicContact CG1-CG 4.03Å; I745-Y753 HydrophobicContact CG2-CE1 4.1Å; I745-Y753 HydrophobicContact CG2-CE2 3.77Å; I745-M760 HydrophobicContact CD1-CE 3.42Å; I745-M760 VanDerWaalsContact CD1-CE 3.42Å
746S83.3Confident90.2Very high82 Ų8259.1 Ų59.157%0.57332%0.321SS*.Hα-helixtrans-66.4-25.8175.878.10000113.4M742 Q743 N748M742-S746 PolarHBondContact O-N 2.79Å; Q743-S746 WeakPolarHBondContact O-CA 3.07Å; Q743-S746 WeakPolarHBondContact O-CB 3.12Å; Q743-S746 PolarHBondContact O-N 3.32Å; Q743-S746 PolarHBondContact O-OG 2.97Å; S746-N748 VanDerWaalsContact C-N 3.3Å
747N86.1Confident89.8Confident83 Ų8364.8 Ų64.844%0.44435%0.345SS..THydrogen-bonded Turntrans-79.9-7.7171.6-68-10.3000113.4Q743 D744 I745 E749Q743-N747 PolarHBondContact O-N 2.99Å; D744-N747 PolarHBondContact O-N 3.28Å; I745-N747 PolarHBondContact O-N 3.3Å; N747-E749 HydrophobicContact CB-CG 3.8Å; N747-E749 WeakPolarHBondContact CB-OE1 3.38Å; N747-E749 PolarHBondContact ND2-OE1 3.45Å
748N85.7Confident89.3Confident69 Ų6970.2 Ų70.237%0.36937%0.369SS..THydrogen-bonded Turntrans67.130.1-175.6-34.5-88.9000114.1L658 D744 I745 S746 Y750L658-N748 HydrophobicContact CD2-CB 4.34Å; L658-N748 WeakPolarHBondContact CD2-OD1 3.44Å; D744-N748 PolarHBondContact O-N 3.47Å; I745-N748 PolarHBondContact O-N 2.93Å; S746-N748 VanDerWaalsContact C-N 3.3Å; N748-Y750 VanDerWaalsContact C-N 3.27Å; N748-Y750 PolarHBondContact O-N 3.23Å
749E92.3Very high89.2Confident68 Ų6866 Ų6632%0.31835%0.351SS..  trans-80.5-5.8-177-62.9173.8-143.500114D744 N747 K764 L765D744-E749 HydrophobicContact CB-CB 4.39Å; D744-E749 WeakPolarHBondContact O-CB 3.49Å; D744-E749 PolarHBondContact O-N 3.47Å; N747-E749 HydrophobicContact CB-CG 3.8Å; N747-E749 WeakPolarHBondContact CB-OE1 3.38Å; N747-E749 PolarHBondContact ND2-OE1 3.45Å; E749-K764 HydrophobicContact CB-CG 4.47Å; E749-K764 VanDerWaalsContact O-CG 3.26Å; E749-K764 WeakPolarHBondContact O-CG 3.2Å; E749-K764 WeakPolarHBondContact OE2-CE 3.36Å; E749-K764 IonicContact OE2-NZ 2.72Å; E749-K764 PolarHBondContact OE2-NZ 3.02Å; E749-L765 WeakPolarHBondContact O-CB 3.42Å; E749-L765 PolarHBondContact O-N 3.1Å
750Y90.9Very high89.2Confident8 Ų860.8 Ų60.83%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-110.1144.2-178.7-80.5-100.1000112.9H718 M741 D744 I745 N748 Y753 K764H718-Y750 HydrophobicContact CB-CE1 3.97Å; H718-Y750 WeakPolarHBondContact CB-OH 3.49Å; H718-Y750 PolarHBondContact CD2-OH 3.14Å; M741-Y750 HydrophobicContact CE-CD1 4.37Å; M741-Y750 HydrophobicContact CE-CE1 3.8Å; M741-Y750 HydrophobicContact CG-CE2 4.3Å; D744-Y750 HydrophobicContact CB-CD2 3.89Å; D744-Y750 HydrophobicContact CB-CE2 3.48Å; D744-Y750 VanDerWaalsContact CB-CE2 3.48Å; I745-Y750 HydrophobicContact CG1-CD2 3.9Å; I745-Y750 HydrophobicContact CG1-CE2 4.41Å; I745-Y750 HydrophobicContact CG1-CG 4.3Å; N748-Y750 VanDerWaalsContact C-N 3.27Å; N748-Y750 PolarHBondContact O-N 3.23Å; Y750-Y753 VanDerWaalsContact CB-CD1 3.44Å; Y750-Y753 HydrophobicContact CD1-CD1 4.19Å; Y750-Y753 AromaticContact CG-CD1 3.93Å; Y750-Y753 HydrophobicContact CG-CD1 3.93Å; Y750-Y753 HydrophobicContact CG-CE1 4.42Å; Y750-K764 HydrophobicContact CD1-CB 4.15Å; Y750-K764 HydrophobicContact CD2-CG 4.24Å; Y750-K764 HydrophobicContact CE1-CB 3.98Å; Y750-K764 HydrophobicContact CE1-CG 4.47Å; Y750-K764 HydrophobicContact CE2-CD 4.12Å; Y750-K764 HydrophobicContact CE2-CG 4.14Å; Y750-K764 HydrophobicContact CG-CB 4.49Å; Y750-K764 HydrophobicContact CG-CG 4.45Å
751L91Very high89.1Confident19 Ų1959.1 Ų59.110%0.09931%0.313CS..EExtended strand (participates in β ladder)trans-79.9-41.2172.8-176.364.3000112.5T763 L765 I768 L780 V782 A786 V789 L790L751-T763 WeakPolarHBondContact CB-O 3.48Å; L751-T763 PolarHBondContact N-O 3.42Å; L751-L765 HydrophobicContact CB-CD2 3.85Å; L751-L765 HydrophobicContact CB-CG 4.47Å; L751-L765 HydrophobicContact CD1-CD2 4.07Å; L751-L765 HydrophobicContact CG-CD2 4.48Å; L751-I768 HydrophobicContact CD2-CD1 3.81Å; L751-L780 HydrophobicContact CD2-CD1 4.13Å; L751-V782 HydrophobicContact CD2-CG1 3.99Å; L751-A786 HydrophobicContact CD1-CB 3.91Å; L751-A786 HydrophobicContact CD2-CB 4.36Å; L751-A786 HydrophobicContact CG-CB 4.04Å; L751-V789 HydrophobicContact CD1-CB 3.82Å; L751-V789 HydrophobicContact CD1-CG1 4.14Å; L751-V789 HydrophobicContact CD1-CG2 4.41Å; L751-L790 HydrophobicContact CD1-CD1 4.34Å; L751-L790 HydrophobicContact CD1-CD2 4.17Å; L751-L790 HydrophobicContact CD1-CG 3.9Å; L751-L790 HydrophobicContact CD2-CD1 4.13Å; L751-L790 HydrophobicContact CD2-CD2 4.12Å; L751-L790 HydrophobicContact CD2-CG 4.3Å
752E88.4Confident89.1Confident56 Ų5659.3 Ų59.326%0.26232%0.315SS..EExtended strand (participates in β ladder)trans-160.8175-173.854.3169.1-162.200110G762 T763 V782E752-G762 CarbonylContact O-C 3.6Å; E752-G762 WeakPolarHBondContact O-CA 3.28Å; E752-T763 PolarHBondContact O-N 3.25Å; E752-T763 PolarHBondContact OE1-OG1 3.24Å; E752-V782 WeakPolarHBondContact OE2-CG1 3.43Å
753Y90.1Very high89.2Confident40 Ų4056.1 Ų56.116%0.15730%0.3CS..EExtended strand (participates in β ladder)175.953.1-106.6114.5-86.8000116.2Y657 I745 Y750 M760 Y761Y657-Y753 VanDerWaalsContact CB-OH 3.23Å; Y657-Y753 WeakPolarHBondContact CB-OH 3.44Å; Y657-Y753 HydrophobicContact CD1-CE2 4.06Å; Y657-Y753 HydrophobicContact CD2-CD2 4.4Å; Y657-Y753 AromaticContact CD2-CE2 3.42Å; Y657-Y753 HydrophobicContact CD2-CE2 3.42Å; Y657-Y753 VanDerWaalsContact CD2-CE2 3.42Å; Y657-Y753 HydrophobicContact CE1-CE2 4.06Å; Y657-Y753 HydrophobicContact CE2-CD2 4.14Å; Y657-Y753 AromaticContact CE2-CE2 3.45Å; Y657-Y753 HydrophobicContact CE2-CE2 3.45Å; Y657-Y753 VanDerWaalsContact CE2-CE2 3.45Å; Y657-Y753 AromaticContact CG-CE2 3.74Å; Y657-Y753 HydrophobicContact CG-CE2 3.74Å; Y657-Y753 AromaticContact CG-CZ 3.99Å; Y657-Y753 VanDerWaalsContact CG-OH 3.29Å; Y657-Y753 AromaticContact CZ-CE2 3.74Å; I745-Y753 HydrophobicContact CB-CE1 4.41Å; I745-Y753 HydrophobicContact CD1-CD1 3.83Å; I745-Y753 HydrophobicContact CD1-CD2 3.6Å; I745-Y753 HydrophobicContact CD1-CE1 4.16Å; I745-Y753 HydrophobicContact CD1-CE2 3.88Å; I745-Y753 HydrophobicContact CD1-CG 3.6Å; I745-Y753 HydrophobicContact CG1-CD1 3.71Å; I745-Y753 HydrophobicContact CG1-CD2 4.22Å; I745-Y753 HydrophobicContact CG1-CE1 3.68Å; I745-Y753 HydrophobicContact CG1-CE2 4.14Å; I745-Y753 HydrophobicContact CG1-CG 4.03Å; I745-Y753 HydrophobicContact CG2-CE1 4.1Å; I745-Y753 HydrophobicContact CG2-CE2 3.77Å; Y750-Y753 VanDerWaalsContact CB-CD1 3.44Å; Y750-Y753 HydrophobicContact CD1-CD1 4.19Å; Y750-Y753 AromaticContact CG-CD1 3.93Å; Y750-Y753 HydrophobicContact CG-CD1 3.93Å; Y750-Y753 HydrophobicContact CG-CE1 4.42Å; Y753-M760 HydrophobicContact CD2-CE 4.35Å; Y753-Y761 VanDerWaalsContact CB-O 3.23Å; Y753-Y761 WeakPolarHBondContact CB-O 3.45Å
754G87.1Confident89.3Confident36 Ų3652.4 Ų52.437%0.37128%0.282SS..EExtended strand (participates in β ladder)trans-88.1165.3174.800000115.4M760 Y761G754-M760 WeakPolarHBondContact O-CA 3.25Å; G754-Y761 PolarHBondContact N-O 2.92Å; G754-Y761 PolarHBondContact O-N 3.33Å
755S88.1Confident89.5Confident73 Ų7352.8 Ų52.851%0.5128%0.284SS..EExtended strand (participates in β ladder)trans-138.5121167.254.30000109K656 A759K656-S755 PolarHBondContact NZ-OG 3.24Å; S755-A759 CarbonylContact C-O 3.55Å; S755-A759 WeakPolarHBondContact CA-O 3.36Å
756H87.4Confident90Very high112 Ų11255.7 Ų55.752%0.51930%0.297SS..EExtended strand (participates in β ladder)trans-145.9131.4-172-174.1-80.9000109.9D758 A759 Y761H756-D758 VanDerWaalsContact C-N 3.31Å; H756-D758 PolarHBondContact O-N 3.03Å; H756-A759 PolarHBondContact N-O 3.27Å; H756-A759 PolarHBondContact O-N 3.19Å; H756-A759 VanDerWaalsContact O-N 3.09Å; H756-A759 VanDerWaalsContact O-O 3.09Å; H756-Y761 HydrophobicContact CB-CD2 4.15Å; H756-Y761 HydrophobicContact CB-CE2 4.05Å
757E85.8Confident90.6Very high160 Ų16052.4 Ų52.475%0.74827%0.274SS*.THydrogen-bonded Turntrans4851.9-179-68.3165.7157.900112.5A759E757-A759 PolarHBondContact O-N 3.31Å
758D86.8Confident91.1Very high178 Ų17848.4 Ų48.495%0.95225%0.253SS*.THydrogen-bonded Turntrans56.94.6-178.6-56.4-36.6000116.6H756H756-D758 VanDerWaalsContact C-N 3.31Å; H756-D758 PolarHBondContact O-N 3.03Å
759A90.6Very high91.6Very high7 Ų749.3 Ų49.36%0.05825%0.251CS..EExtended strand (participates in β ladder)trans-102.7153.4169.500000112R721 S755 H756 E757 Y761R721-A759 HydrophobicContact CB-CB 3.72Å; S755-A759 CarbonylContact C-O 3.55Å; S755-A759 WeakPolarHBondContact CA-O 3.36Å; H756-A759 PolarHBondContact N-O 3.27Å; H756-A759 PolarHBondContact O-N 3.19Å; H756-A759 VanDerWaalsContact O-N 3.09Å; H756-A759 VanDerWaalsContact O-O 3.09Å; E757-A759 PolarHBondContact O-N 3.31Å; A759-Y761 HydrophobicContact CB-CE2 3.86Å
760M92.8Very high91.7Very high17 Ų1750.2 Ų50.28%0.08425%0.253CS..EExtended strand (participates in β ladder)trans-97152170.3-68.41796000111T719 T720 H738 M741 M742 I745 Y753 G754T719-M760 WeakPolarHBondContact CA-O 3.25Å; T719-M760 WeakPolarHBondContact CB-O 3.39Å; T719-M760 PolarHBondContact OG1-O 2.9Å; T720-M760 HydrophobicContact CG2-CB 3.95Å; T720-M760 PolarHBondContact N-O 3.32Å; T720-M760 PolarHBondContact OG1-N 3.44Å; H738-M760 VanDerWaalsContact CE1-SD 3.54Å; M741-M760 HydrophobicContact CE-CB 4.03Å; M741-M760 HydrophobicContact CE-CE 4.43Å; M741-M760 HydrophobicContact SD-CB 3.71Å; M742-M760 HydrophobicContact SD-CE 3.84Å; M742-M760 HydrophobicContact SD-SD 3.86Å; I745-M760 HydrophobicContact CD1-CE 3.42Å; I745-M760 VanDerWaalsContact CD1-CE 3.42Å; Y753-M760 HydrophobicContact CD2-CE 4.35Å; G754-M760 WeakPolarHBondContact O-CA 3.25Å
761Y92.9Very high92Very high44 Ų4450.3 Ų50.317%0.17325%0.254CS..EExtended strand (participates in β ladder)trans-142.1137.3-178.7-67.5-92.7000109.2H718 T719 R721 Y733 Y753 G754 H756 A759H718-Y761 WeakPolarHBondContact O-CA 3.39Å; T719-Y761 HydrophobicContact CG2-CE1 4.25Å; T719-Y761 WeakPolarHBondContact OG1-CD1 3.35Å; T719-Y761 WeakPolarHBondContact OG1-CE1 3.4Å; R721-Y761 WeakPolarHBondContact CD-OH 3.13Å; R721-Y761 PolarHBondContact NE-OH 3.28Å; Y733-Y761 HydrophobicContact CD1-CD1 4.26Å; Y733-Y761 HydrophobicContact CD1-CE1 4.37Å; Y733-Y761 AromaticContact CE1-CD1 3.72Å; Y733-Y761 HydrophobicContact CE1-CD1 3.72Å; Y733-Y761 AromaticContact CE1-CE1 3.8Å; Y733-Y761 HydrophobicContact CE1-CE1 3.8Å; Y753-Y761 VanDerWaalsContact CB-O 3.23Å; Y753-Y761 WeakPolarHBondContact CB-O 3.45Å; G754-Y761 PolarHBondContact N-O 2.92Å; G754-Y761 PolarHBondContact O-N 3.33Å; H756-Y761 HydrophobicContact CB-CD2 4.15Å; H756-Y761 HydrophobicContact CB-CE2 4.05Å; A759-Y761 HydrophobicContact CB-CE2 3.86Å
762G92.8Very high92.2Very high4 Ų451 Ų514%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-165.3156.3-177.500000115.6P717 H718 E752P717-G762 CarbonylContact C-O 3.52Å; P717-G762 WeakPolarHBondContact CA-O 3.33Å; H718-G762 PolarHBondContact N-O 3.17Å; H718-G762 PolarHBondContact O-N 3.07Å; E752-G762 CarbonylContact O-C 3.6Å; E752-G762 WeakPolarHBondContact O-CA 3.28Å
763T93.9Very high92.6Very high4 Ų455.2 Ų55.23%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-98.9105.3179.5-56.20000108.8P715 L751 E752 I768P715-T763 HydrophobicContact CB-CG2 4.03Å; P715-T763 HydrophobicContact CG-CG2 3.7Å; L751-T763 WeakPolarHBondContact CB-O 3.48Å; L751-T763 PolarHBondContact N-O 3.42Å; E752-T763 PolarHBondContact O-N 3.25Å; E752-T763 PolarHBondContact OE1-OG1 3.24Å; T763-I768 HydrophobicContact CG2-CD1 4.3Å; T763-I768 HydrophobicContact CG2-CG1 4.49Å
764K94.4Very high92.8Very high28 Ų2859.8 Ų59.812%0.12230%0.3CS..EExtended strand (participates in β ladder)trans-75.7133.7179.5-158.4171-176.6171.10110.1D744 E749 Y750 E766 T767D744-K764 IonicContact OD1-NZ 3.77Å; D744-K764 IonicContact OD2-NZ 2.75Å; D744-K764 PolarHBondContact OD2-NZ 3.2Å; E749-K764 HydrophobicContact CB-CG 4.47Å; E749-K764 VanDerWaalsContact O-CG 3.26Å; E749-K764 WeakPolarHBondContact O-CG 3.2Å; E749-K764 WeakPolarHBondContact OE2-CE 3.36Å; E749-K764 IonicContact OE2-NZ 2.72Å; E749-K764 PolarHBondContact OE2-NZ 3.02Å; Y750-K764 HydrophobicContact CD1-CB 4.15Å; Y750-K764 HydrophobicContact CD2-CG 4.24Å; Y750-K764 HydrophobicContact CE1-CB 3.98Å; Y750-K764 HydrophobicContact CE1-CG 4.47Å; Y750-K764 HydrophobicContact CE2-CD 4.12Å; Y750-K764 HydrophobicContact CE2-CG 4.14Å; Y750-K764 HydrophobicContact CG-CB 4.49Å; Y750-K764 HydrophobicContact CG-CG 4.45Å; K764-E766 HydrophobicContact CD-CB 4.4Å; K764-E766 HydrophobicContact CG-CB 4.19Å; K764-E766 PolarHBondContact O-N 3.46Å; K764-E766 VanDerWaalsContact O-N 3.17Å; K764-T767 PolarHBondContact O-N 3.29Å
765L94.7Very high93.1Very high15 Ų1559.9 Ų59.98%0.07930%0.3CS..Hα-helixtrans-57.4-34.1-178.1-67.9169000111.7E749 L751 T767 I768 R769 V789 F795E749-L765 WeakPolarHBondContact O-CB 3.42Å; E749-L765 PolarHBondContact O-N 3.1Å; L751-L765 HydrophobicContact CB-CD2 3.85Å; L751-L765 HydrophobicContact CB-CG 4.47Å; L751-L765 HydrophobicContact CD1-CD2 4.07Å; L751-L765 HydrophobicContact CG-CD2 4.48Å; L765-T767 VanDerWaalsContact C-N 3.28Å; L765-T767 PolarHBondContact O-N 2.9Å; L765-I768 WeakPolarHBondContact O-CB 3.22Å; L765-I768 PolarHBondContact O-N 2.91Å; L765-R769 PolarHBondContact O-N 3.44Å; L765-R769 VanDerWaalsContact O-N 3.15Å; L765-V789 HydrophobicContact CD1-CG1 4.16Å; L765-V789 HydrophobicContact CD2-CG1 3.86Å; L765-F795 HydrophobicContact CD2-CE1 4.43Å; L765-F795 HydrophobicContact CD2-CZ 3.97Å
766E95Very high93.4Very high67 Ų6757.7 Ų57.731%0.31328%0.283SS..Hα-helixtrans-56.9-34175.5-176.659.6-16800114.1K764 I768 R769 K770K764-E766 HydrophobicContact CD-CB 4.4Å; K764-E766 HydrophobicContact CG-CB 4.19Å; K764-E766 PolarHBondContact O-N 3.46Å; K764-E766 VanDerWaalsContact O-N 3.17Å; E766-I768 VanDerWaalsContact C-N 3.29Å; E766-I768 PolarHBondContact O-N 3.31Å; E766-R769 PolarHBondContact O-N 3.22Å; E766-R769 IonicContact OE2-NH1 2.71Å; E766-K770 WeakPolarHBondContact O-CG 3.46Å; E766-K770 PolarHBondContact O-N 3.32Å; E766-K770 WeakPolarHBondContact OE1-CE 3.16Å; E766-K770 IonicContact OE1-NZ 2.91Å; E766-K770 PolarHBondContact OE1-NZ 3.31Å
767T94.8Very high93.8Very high12 Ų1253.2 Ų53.27%0.07426%0.263CS..Hα-helixtrans-71.9-27.3176.6-39.20000111.8P715 I716 H718 Y734 K764 L765P715-T767 HydrophobicContact CB-CG2 3.94Å; I716-T767 HydrophobicContact CB-CG2 4.29Å; I716-T767 PolarHBondContact O-OG1 2.74Å; H718-T767 PolarHBondContact CE1-OG1 3.15Å; Y734-T767 HydrophobicContact CE2-CG2 4.28Å; K764-T767 PolarHBondContact O-N 3.29Å; L765-T767 VanDerWaalsContact C-N 3.28Å; L765-T767 PolarHBondContact O-N 2.9Å
768I96.8Very high94.4Very high0 Ų045.6 Ų45.60%023%0.227CC..Hα-helixtrans-74.1-42.2176.6-53173.9000109.7P715 L751 T763 L765 E766 K770 I771 H772 A778 L780 L790 F795P715-I768 HydrophobicContact CB-CG1 3.93Å; P715-I768 HydrophobicContact CG-CG1 4.08Å; L751-I768 HydrophobicContact CD2-CD1 3.81Å; T763-I768 HydrophobicContact CG2-CD1 4.3Å; T763-I768 HydrophobicContact CG2-CG1 4.49Å; L765-I768 WeakPolarHBondContact O-CB 3.22Å; L765-I768 PolarHBondContact O-N 2.91Å; E766-I768 VanDerWaalsContact C-N 3.29Å; E766-I768 PolarHBondContact O-N 3.31Å; I768-K770 VanDerWaalsContact C-N 3.34Å; I768-K770 PolarHBondContact O-N 2.77Å; I768-I771 WeakPolarHBondContact O-CB 3.45Å; I768-I771 PolarHBondContact O-N 2.63Å; I768-I771 VanDerWaalsContact O-N 3.15Å; I768-H772 PolarHBondContact O-N 3.49Å; I768-A778 HydrophobicContact CG2-CB 3.95Å; I768-L780 HydrophobicContact CD1-CD1 4.11Å; I768-L780 HydrophobicContact CD1-CD2 4.14Å; I768-L780 HydrophobicContact CG1-CD2 4.38Å; I768-L790 HydrophobicContact CD1-CD2 4.48Å; I768-F795 HydrophobicContact CB-CE1 4.28Å; I768-F795 HydrophobicContact CG2-CD1 3.83Å; I768-F795 HydrophobicContact CG2-CE1 4.07Å
769R96.3Very high94.8Very high87 Ų8737.1 Ų37.133%0.32818%0.182SC..Hα-helixtrans-54.4-48.2174.1-67.7178.6-179.2127.68.5112.1L765 E766 I771 H772 E773 E794L765-R769 PolarHBondContact O-N 3.44Å; L765-R769 VanDerWaalsContact O-N 3.15Å; E766-R769 PolarHBondContact O-N 3.22Å; E766-R769 IonicContact OE2-NH1 2.71Å; R769-I771 PolarHBondContact O-N 2.91Å; R769-H772 CarbonylContact O-C 3.6Å; R769-H772 WeakPolarHBondContact O-CA 3.17Å; R769-H772 WeakPolarHBondContact O-CB 3.45Å; R769-H772 PolarHBondContact O-N 2.77Å; R769-E773 WeakPolarHBondContact O-CG 3.41Å; R769-E773 PolarHBondContact O-N 2.69Å; R769-E794 IonicContact CZ-OE1 2.73Å; R769-E794 IonicContact NE-OE1 3.84Å; R769-E794 PolarHBondContact NE-OE1 2.99Å; R769-E794 IonicContact NH2-OE1 3.62Å; R769-E794 PolarHBondContact NH2-OE1 3.43Å; R769-E794 IonicContact NH2-OE2 3.22Å
770K95.6Very high95.1Very high87 Ų8736.9 Ų36.938%0.37818%0.179SC..Hα-helixtrans-60.5-27.6180-73.9169.5-178.5158.70114E766 I768 Q774E766-K770 WeakPolarHBondContact O-CG 3.46Å; E766-K770 PolarHBondContact O-N 3.32Å; E766-K770 WeakPolarHBondContact OE1-CE 3.16Å; E766-K770 IonicContact OE1-NZ 2.91Å; E766-K770 PolarHBondContact OE1-NZ 3.31Å; I768-K770 VanDerWaalsContact C-N 3.34Å; I768-K770 PolarHBondContact O-N 2.77Å; K770-Q774 WeakPolarHBondContact O-CG 3.08Å; K770-Q774 PolarHBondContact O-N 2.91Å; K770-Q774 PolarHBondContact O-NE2 3.45Å
771I96.5Very high95Very high10 Ų1037.7 Ų37.75%0.05118%0.184CC..Hα-helixtrans-74-43.7172.5-66.6169.2000110.3A713 P715 I768 R769 E773 Q774 G775 L776 A778A713-I771 HydrophobicContact CB-CD1 3.98Å; A713-I771 HydrophobicContact CB-CG1 4.09Å; A713-I771 HydrophobicContact CB-CG2 3.93Å; P715-I771 HydrophobicContact CB-CD1 4.16Å; I768-I771 WeakPolarHBondContact O-CB 3.45Å; I768-I771 PolarHBondContact O-N 2.63Å; I768-I771 VanDerWaalsContact O-N 3.15Å; R769-I771 PolarHBondContact O-N 2.91Å; I771-E773 VanDerWaalsContact C-N 3.34Å; I771-E773 PolarHBondContact O-N 3.49Å; I771-Q774 WeakPolarHBondContact O-CB 3.27Å; I771-Q774 PolarHBondContact O-N 3.33Å; I771-G775 PolarHBondContact O-N 2.92Å; I771-L776 HydrophobicContact CG2-CB 3.74Å; I771-L776 PolarHBondContact O-N 2.93Å; I771-A778 HydrophobicContact CB-CB 4.24Å; I771-A778 HydrophobicContact CD1-CB 4.25Å; I771-A778 HydrophobicContact CG2-CB 3.84Å
772H95.7Very high94.9Very high34 Ų3435.7 Ų35.716%0.15718%0.177CC..Hα-helixtrans-65.7-34.9177.3-60.1170000112.7K685 T686 I768 R769 Q774 G775 F795K685-H772 PolarHBondContact O-CD2 3.08Å; K685-H772 PolarHBondContact O-NE2 3.15Å; K685-H772 VanDerWaalsContact O-NE2 3.13Å; T686-H772 PolarHBondContact OG1-CE1 3.37Å; T686-H772 PolarHBondContact OG1-NE2 2.6Å; I768-H772 PolarHBondContact O-N 3.49Å; R769-H772 CarbonylContact O-C 3.6Å; R769-H772 WeakPolarHBondContact O-CA 3.17Å; R769-H772 WeakPolarHBondContact O-CB 3.45Å; R769-H772 PolarHBondContact O-N 2.77Å; H772-Q774 VanDerWaalsContact C-N 3.3Å; H772-Q774 PolarHBondContact O-N 3.43Å; H772-G775 WeakPolarHBondContact O-CA 3.19Å; H772-G775 PolarHBondContact O-N 2.79Å; H772-F795 AromaticContact CE1-CD1 3.88Å
773E95.6Very high94.7Very high145 Ų14540.4 Ų40.468%0.67820%0.197SC*.Hα-helixtrans-62.4-34.4173-72.7171.3168.400112.5R769 I771 G775R769-E773 WeakPolarHBondContact O-CG 3.41Å; R769-E773 PolarHBondContact O-N 2.69Å; I771-E773 VanDerWaalsContact C-N 3.34Å; I771-E773 PolarHBondContact O-N 3.49Å; E773-G775 PolarHBondContact O-N 2.79Å
774Q95.3Very high94.3Very high136 Ų13640.9 Ų40.964%0.63620%0.2SC*.THydrogen-bonded Turntrans-75.3-0.5172.5-68165.453.600112.8K770 I771 H772 L776K770-Q774 WeakPolarHBondContact O-CG 3.08Å; K770-Q774 PolarHBondContact O-N 2.91Å; K770-Q774 PolarHBondContact O-NE2 3.45Å; I771-Q774 WeakPolarHBondContact O-CB 3.27Å; I771-Q774 PolarHBondContact O-N 3.33Å; H772-Q774 VanDerWaalsContact C-N 3.3Å; H772-Q774 PolarHBondContact O-N 3.43Å; Q774-L776 HydrophobicContact CB-CD1 4.12Å; Q774-L776 HydrophobicContact CB-CG 4.12Å; Q774-L776 PolarHBondContact O-N 3.42Å
775G93.4Very high93.8Very high37 Ų3743.8 Ų43.838%0.38122%0.215SC..THydrogen-bonded Turntrans77.2-3.2-178.600000114.9K683 I771 H772 E773K683-G775 PolarHBondContact NZ-O 2.73Å; I771-G775 PolarHBondContact O-N 2.92Å; H772-G775 WeakPolarHBondContact O-CA 3.19Å; H772-G775 PolarHBondContact O-N 2.79Å; E773-G775 PolarHBondContact O-N 2.79Å
776L95.4Very high93.5Very high28 Ų2843.5 Ų43.515%0.14721%0.214CC..PPolyproline II helixtrans-74.3161.5-179.6-61.5174.8000111.9D710 A713 I771 Q774D710-L776 VanDerWaalsContact C-CD2 3.45Å; D710-L776 WeakPolarHBondContact O-CD2 3.36Å; A713-L776 HydrophobicContact CB-CD1 4.05Å; I771-L776 HydrophobicContact CG2-CB 3.74Å; I771-L776 PolarHBondContact O-N 2.93Å; Q774-L776 HydrophobicContact CB-CD1 4.12Å; Q774-L776 HydrophobicContact CB-CG 4.12Å; Q774-L776 PolarHBondContact O-N 3.42Å
777I95.4Very high93.1Very high18 Ų1840.3 Ų40.39%0.09220%0.199CC..EExtended strand (participates in β ladder)trans-91.5122.9170.5-62.7173.5000109.2K685 L687 R711 F712 A713 I779 V855K685-I777 CarbonylContact O-C 3.44Å; K685-I777 VanDerWaalsContact O-CA 3.24Å; K685-I777 WeakPolarHBondContact O-CA 3.22Å; L687-I777 HydrophobicContact CB-CG2 3.94Å; R711-I777 PolarHBondContact O-N 3.09Å; F712-I777 WeakPolarHBondContact CA-O 3.37Å; F712-I777 HydrophobicContact CD1-CB 3.77Å; F712-I777 HydrophobicContact CD1-CG2 3.93Å; F712-I777 HydrophobicContact CE1-CB 3.99Å; F712-I777 HydrophobicContact CE1-CD1 4.07Å; F712-I777 HydrophobicContact CE1-CG2 3.95Å; A713-I777 PolarHBondContact N-O 3.5Å; I777-I779 PolarHBondContact O-N 3.26Å; I777-V855 HydrophobicContact CD1-CG1 3.96Å
778A97.3Very high92.5Very high0 Ų043 Ų430%021%0.21CC..EExtended strand (participates in β ladder)trans-77.8118.4173.700000110.3K685 T686 L687 A713 I768 I771K685-A778 PolarHBondContact O-N 2.98Å; T686-A778 CarbonylContact C-O 3.59Å; T686-A778 VanDerWaalsContact CA-O 3.31Å; T686-A778 WeakPolarHBondContact CA-O 3.4Å; T686-A778 HydrophobicContact CG2-CB 4.49Å; T686-A778 WeakPolarHBondContact CG2-O 3.44Å; L687-A778 PolarHBondContact N-O 3.23Å; A713-A778 WeakPolarHBondContact O-CA 3.12Å; I768-A778 HydrophobicContact CG2-CB 3.95Å; I771-A778 HydrophobicContact CB-CB 4.24Å; I771-A778 HydrophobicContact CD1-CB 4.25Å; I771-A778 HydrophobicContact CG2-CB 3.84Å
779I96.9Very high92.1Very high0 Ų044.9 Ų44.90%022%0.221CC..EExtended strand (participates in β ladder)trans-88.4131.5170.6-49.4-172.7000109.3L687 L689 K701 L704 I705 F712 A713 Y714 I777L687-I779 HydrophobicContact CB-CG1 4.42Å; L687-I779 HydrophobicContact CD2-CD1 4.19Å; L687-I779 HydrophobicContact CD2-CG1 4.17Å; L687-I779 HydrophobicContact CD2-CG2 4.31Å; L687-I779 HydrophobicContact CG-CG2 4.37Å; L687-I779 CarbonylContact O-C 3.37Å; L687-I779 WeakPolarHBondContact O-CA 3.35Å; L689-I779 HydrophobicContact CD1-CG2 3.84Å; L689-I779 HydrophobicContact CG-CG2 4.12Å; K701-I779 HydrophobicContact CB-CG2 4.33Å; K701-I779 HydrophobicContact CD-CG2 4.35Å; K701-I779 HydrophobicContact CG-CB 4.26Å; K701-I779 HydrophobicContact CG-CG2 3.82Å; L704-I779 HydrophobicContact CB-CD1 3.77Å; L704-I779 HydrophobicContact CD1-CD1 3.89Å; I705-I779 HydrophobicContact CG1-CD1 4.07Å; F712-I779 HydrophobicContact CB-CD1 3.77Å; F712-I779 HydrophobicContact CB-CG1 4.04Å; F712-I779 HydrophobicContact CD1-CD1 3.71Å; F712-I779 HydrophobicContact CD1-CG1 3.73Å; F712-I779 HydrophobicContact CD2-CD1 4.46Å; F712-I779 HydrophobicContact CE1-CD1 4.42Å; F712-I779 HydrophobicContact CG-CD1 3.75Å; F712-I779 HydrophobicContact CG-CG1 4.14Å; A713-I779 PolarHBondContact O-N 3.29Å; Y714-I779 VanDerWaalsContact CD2-O 3.28Å; Y714-I779 WeakPolarHBondContact CD2-O 3.25Å; I777-I779 PolarHBondContact O-N 3.26Å
780L95.3Very high91.8Very high2 Ų240.8 Ų40.81%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-125.6124.3179.9-60.2-174.9000110.7T686 L687 V688 L689 P715 L751 I768 V782 L790T686-L780 HydrophobicContact CG2-CB 4.48Å; T686-L780 HydrophobicContact CG2-CD1 3.4Å; T686-L780 HydrophobicContact CG2-CG 3.66Å; L687-L780 PolarHBondContact O-N 2.7Å; V688-L780 HydrophobicContact CG2-CD1 4.49Å; L689-L780 PolarHBondContact N-O 2.85Å; P715-L780 HydrophobicContact CG-CD2 3.46Å; P715-L780 VanDerWaalsContact CG-CD2 3.46Å; L751-L780 HydrophobicContact CD2-CD1 4.13Å; I768-L780 HydrophobicContact CD1-CD1 4.11Å; I768-L780 HydrophobicContact CD1-CD2 4.14Å; I768-L780 HydrophobicContact CG1-CD2 4.38Å; L780-V782 HydrophobicContact CB-CG1 3.99Å; L780-V782 HydrophobicContact CB-CG2 4.28Å; L780-L790 HydrophobicContact CD1-CD1 3.6Å; L780-L790 HydrophobicContact CD1-CD2 3.76Å; L780-L790 HydrophobicContact CD1-CG 4.35Å
781D91.8Very high91.5Very high33 Ų3338.9 Ų38.918%0.17620%0.196CC..  trans-105.442.8173.656.7-27.3000112.6R697 K701 Y714R697-D781 PolarHBondContact NH1-O 2.83Å; K701-D781 HydrophobicContact CD-CB 4.21Å; K701-D781 WeakPolarHBondContact CD-OD1 3.31Å; K701-D781 WeakPolarHBondContact CE-OD2 3.34Å; K701-D781 IonicContact NZ-OD1 3.33Å; K701-D781 PolarHBondContact NZ-OD1 3.37Å; K701-D781 IonicContact NZ-OD2 3.59Å; K701-D781 PolarHBondContact NZ-OD2 3.5Å; Y714-D781 WeakPolarHBondContact CE2-OD1 3.42Å
782V89.7Confident91.2Very high3 Ų341.1 Ų41.12%0.01821%0.21CC..  trans-72.1173.7-177.6-61.80000114.2V688 L690 R697 L751 E752 L780 A786 L790V688-V782 HydrophobicContact CG1-CG2 3.74Å; L690-V782 HydrophobicContact CD2-CG2 4.42Å; L690-V782 WeakPolarHBondContact CD2-O 3.5Å; R697-V782 PolarHBondContact NH1-O 3.46Å; L751-V782 HydrophobicContact CD2-CG1 3.99Å; E752-V782 WeakPolarHBondContact OE2-CG1 3.43Å; L780-V782 HydrophobicContact CB-CG1 3.99Å; L780-V782 HydrophobicContact CB-CG2 4.28Å; V782-A786 HydrophobicContact CB-CB 3.79Å; V782-A786 HydrophobicContact CG1-CB 4.34Å; V782-A786 HydrophobicContact CG2-CB 3.7Å; V782-L790 HydrophobicContact CG2-CD1 4.38Å
783E88.4Confident90.9Very high103 Ų10341.6 Ų41.648%0.48122%0.22SC..  trans-80.6155.1166.1-69.7-177.7-162.900112Q785 A786E783-Q785 PolarHBondContact O-N 3.05Å; E783-Q785 VanDerWaalsContact O-N 3.1Å; E783-A786 VanDerWaalsContact O-CB 3.27Å; E783-A786 WeakPolarHBondContact O-CB 3.13Å; E783-A786 PolarHBondContact O-N 3.29Å; E783-A786 VanDerWaalsContact O-N 3.08Å
784P86.1Confident90.7Very high13 Ų1338.5 Ų38.58%0.08421%0.206CC..G310 helixtrans-54.6-32.3-177.1-26.333.9000115L690 A786 L787 L827 Y831L690-P784 HydrophobicContact CD1-CB 4.16Å; L690-P784 HydrophobicContact CD1-CG 4.23Å; L690-P784 HydrophobicContact CD2-CG 4.27Å; P784-A786 PolarHBondContact O-N 2.95Å; P784-L787 VanDerWaalsContact O-CB 3.26Å; P784-L787 WeakPolarHBondContact O-CB 3.18Å; P784-L787 WeakPolarHBondContact O-CG 3.33Å; P784-L787 PolarHBondContact O-N 3.32Å; P784-L827 HydrophobicContact CG-CD2 3.93Å; P784-Y831 HydrophobicContact CB-CD1 3.94Å; P784-Y831 HydrophobicContact CB-CD2 3.67Å; P784-Y831 HydrophobicContact CB-CE1 3.97Å; P784-Y831 HydrophobicContact CB-CE2 3.7Å; P784-Y831 HydrophobicContact CB-CG 3.78Å; P784-Y831 HydrophobicContact CG-CD2 3.67Å; P784-Y831 HydrophobicContact CG-CE2 3.72Å; P784-Y831 HydrophobicContact CG-CG 4.24Å
785Q83.4Confident90.6Very high90 Ų9032.1 Ų32.142%0.42118%0.176SC..G310 helixtrans-58.4-29179.7-67.887.5-43.300112.5E783 L787 K788E783-Q785 PolarHBondContact O-N 3.05Å; E783-Q785 VanDerWaalsContact O-N 3.1Å; Q785-L787 PolarHBondContact O-N 2.93Å; Q785-L787 VanDerWaalsContact O-N 3.17Å; Q785-K788 WeakPolarHBondContact O-CB 3.42Å; Q785-K788 PolarHBondContact O-N 3.48Å; Q785-K788 VanDerWaalsContact O-N 3.12Å
786A88.1Confident90.6Very high8 Ų830.4 Ų30.47%0.06616%0.158CC..G310 helixtrans-60-23.8174.900000113L751 V782 E783 P784 K788 V789 L790L751-A786 HydrophobicContact CD1-CB 3.91Å; L751-A786 HydrophobicContact CD2-CB 4.36Å; L751-A786 HydrophobicContact CG-CB 4.04Å; V782-A786 HydrophobicContact CB-CB 3.79Å; V782-A786 HydrophobicContact CG1-CB 4.34Å; V782-A786 HydrophobicContact CG2-CB 3.7Å; E783-A786 VanDerWaalsContact O-CB 3.27Å; E783-A786 WeakPolarHBondContact O-CB 3.13Å; E783-A786 PolarHBondContact O-N 3.29Å; E783-A786 VanDerWaalsContact O-N 3.08Å; P784-A786 PolarHBondContact O-N 2.95Å; A786-K788 PolarHBondContact O-N 2.98Å; A786-V789 PolarHBondContact O-N 3.16Å; A786-L790 HydrophobicContact CB-CD1 4.22Å; A786-L790 WeakPolarHBondContact O-CG 3.34Å; A786-L790 PolarHBondContact O-N 3.05Å
787L88Confident90.6Very high1 Ų129.1 Ų29.11%0.00515%0.152CC..Hα-helixtrans-64.1-23.3176.6-65.4-174000113.7V688 L690 P784 Q785 V789 L790 R791 V799 Y834V688-L787 HydrophobicContact CB-CD2 4.45Å; V688-L787 HydrophobicContact CG1-CD2 4.05Å; V688-L787 HydrophobicContact CG2-CD2 4.25Å; L690-L787 HydrophobicContact CD1-CD1 3.82Å; L690-L787 HydrophobicContact CD1-CG 4.49Å; P784-L787 VanDerWaalsContact O-CB 3.26Å; P784-L787 WeakPolarHBondContact O-CB 3.18Å; P784-L787 WeakPolarHBondContact O-CG 3.33Å; P784-L787 PolarHBondContact O-N 3.32Å; Q785-L787 PolarHBondContact O-N 2.93Å; Q785-L787 VanDerWaalsContact O-N 3.17Å; L787-V789 PolarHBondContact O-N 3.04Å; L787-L790 HydrophobicContact CD2-CB 4.35Å; L787-L790 HydrophobicContact CD2-CD1 4.28Å; L787-L790 PolarHBondContact O-N 2.89Å; L787-R791 HydrophobicContact CB-CG 4.26Å; L787-R791 WeakPolarHBondContact O-CB 3.43Å; L787-R791 WeakPolarHBondContact O-CG 3.48Å; L787-R791 PolarHBondContact O-N 2.57Å; L787-R791 VanDerWaalsContact O-N 3.07Å; L787-V799 HydrophobicContact CD1-CG1 3.94Å; L787-V799 HydrophobicContact CD1-CG2 4.18Å; L787-V799 HydrophobicContact CD2-CG2 3.81Å; L787-Y834 HydrophobicContact CD1-CD2 4.11Å; L787-Y834 HydrophobicContact CD1-CG 3.86Å
788K82.6Confident90.6Very high68 Ų6828.8 Ų28.830%0.29615%0.149SC..Hα-helixtrans-62.9-19.5172.8-66.4-164.2172.2-166.80113F665 D669 Q785 A786F665-K788 HydrophobicContact CD1-CB 4.15Å; F665-K788 HydrophobicContact CD1-CD 4.09Å; F665-K788 HydrophobicContact CE1-CB 3.88Å; F665-K788 HydrophobicContact CG-CD 4.48Å; D669-K788 WeakPolarHBondContact OD1-CE 3.37Å; D669-K788 IonicContact OD1-NZ 2.84Å; D669-K788 PolarHBondContact OD1-NZ 3.26Å; D669-K788 IonicContact OD2-NZ 3.91Å; D669-K788 PolarHBondContact OD2-NZ 3.22Å; Q785-K788 WeakPolarHBondContact O-CB 3.42Å; Q785-K788 PolarHBondContact O-N 3.48Å; Q785-K788 VanDerWaalsContact O-N 3.12Å; A786-K788 PolarHBondContact O-N 2.98Å
789V87.1Confident90.5Very high40 Ų4028.8 Ų28.824%0.24215%0.149CC..Hα-helixtrans-102.7-36.8172.2-176.10000111.5L751 L765 A786 L787L751-V789 HydrophobicContact CD1-CB 3.82Å; L751-V789 HydrophobicContact CD1-CG1 4.14Å; L751-V789 HydrophobicContact CD1-CG2 4.41Å; L765-V789 HydrophobicContact CD1-CG1 4.16Å; L765-V789 HydrophobicContact CD2-CG1 3.86Å; A786-V789 PolarHBondContact O-N 3.16Å; L787-V789 PolarHBondContact O-N 3.04Å
790L90.5Very high90.4Very high0 Ų028.8 Ų28.80%015%0.149CC..Hα-helixtrans-77.8-23.6-173-65.9166.9000115.3V688 L751 I768 L780 V782 A786 L787 T792 F795 P797V688-L790 HydrophobicContact CG2-CD1 4.05Å; L751-L790 HydrophobicContact CD1-CD1 4.34Å; L751-L790 HydrophobicContact CD1-CD2 4.17Å; L751-L790 HydrophobicContact CD1-CG 3.9Å; L751-L790 HydrophobicContact CD2-CD1 4.13Å; L751-L790 HydrophobicContact CD2-CD2 4.12Å; L751-L790 HydrophobicContact CD2-CG 4.3Å; I768-L790 HydrophobicContact CD1-CD2 4.48Å; L780-L790 HydrophobicContact CD1-CD1 3.6Å; L780-L790 HydrophobicContact CD1-CD2 3.76Å; L780-L790 HydrophobicContact CD1-CG 4.35Å; V782-L790 HydrophobicContact CG2-CD1 4.38Å; A786-L790 HydrophobicContact CB-CD1 4.22Å; A786-L790 WeakPolarHBondContact O-CG 3.34Å; A786-L790 PolarHBondContact O-N 3.05Å; L787-L790 HydrophobicContact CD2-CB 4.35Å; L787-L790 HydrophobicContact CD2-CD1 4.28Å; L787-L790 PolarHBondContact O-N 2.89Å; L790-T792 PolarHBondContact O-N 3.26Å; L790-F795 HydrophobicContact CD2-CB 4.17Å; L790-F795 HydrophobicContact CD2-CD1 4.08Å; L790-F795 HydrophobicContact CD2-CD2 4.25Å; L790-F795 HydrophobicContact CD2-CG 3.89Å; L790-P797 HydrophobicContact CB-CG 4.33Å; L790-P797 WeakPolarHBondContact O-CD 3.2Å; L790-P797 WeakPolarHBondContact O-CG 3.45Å
791R88.7Confident90.5Very high48 Ų4828.8 Ų28.818%0.18115%0.149CC..SBendtrans-75.649.8-173.2-74.8-173.269.199.7-3.8114.9E674 L787 P797 Y834 W869E674-R791 IonicContact OE1-CZ 3.83Å; E674-R791 IonicContact OE1-NH2 2.66Å; E674-R791 PolarHBondContact OE1-NH2 3.05Å; E674-R791 IonicContact OE2-NH2 3.86Å; E674-R791 PolarHBondContact OE2-NH2 2.86Å; L787-R791 HydrophobicContact CB-CG 4.26Å; L787-R791 WeakPolarHBondContact O-CB 3.43Å; L787-R791 WeakPolarHBondContact O-CG 3.48Å; L787-R791 PolarHBondContact O-N 2.57Å; L787-R791 VanDerWaalsContact O-N 3.07Å; R791-P797 HydrophobicContact CG-CG 4.41Å; R791-Y834 PolarHBondContact NH1-O 2.84Å; R791-Y834 VanDerWaalsContact NH1-O 3.13Å; R791-W869 HydrophobicContact CB-CZ2 4.48Å; R791-W869 PolarHBondContact O-NE1 2.78Å
792T90.3Very high90.7Very high56 Ų5627.2 Ų27.234%0.34414%0.141SC..SBendtrans-123.9167.1179.671.50000112.1L790 E794 F795 A796L790-T792 PolarHBondContact O-N 3.26Å; T792-E794 PolarHBondContact O-N 3.47Å; T792-E794 WeakPolarHBondContact OG1-CB 3.26Å; T792-E794 PolarHBondContact OG1-N 2.92Å; T792-F795 PolarHBondContact O-N 3.25Å; T792-F795 WeakPolarHBondContact OG1-CD2 3.46Å; T792-A796 WeakPolarHBondContact O-CA 3.46Å; T792-A796 PolarHBondContact O-N 3.41Å
793A89.4Confident90.9Very high44 Ų4427.2 Ų27.236%0.36414%0.141SC..THydrogen-bonded Turntrans-57.6-25.617200000113.7K685 W869K685-A793 PolarHBondContact NZ-O 3.22Å; A793-W869 HydrophobicContact CB-CB 4.39Å
794E91.7Very high91Very high80 Ų8022.5 Ų22.537%0.37412%0.12SC..THydrogen-bonded Turntrans-63.6-50-178.2-173.8-177.8167.700111K685 R769 T792K685-E794 WeakPolarHBondContact CD-O 3.05Å; K685-E794 PolarHBondContact NZ-O 3.05Å; R769-E794 IonicContact CZ-OE1 2.73Å; R769-E794 IonicContact NE-OE1 3.84Å; R769-E794 PolarHBondContact NE-OE1 2.99Å; R769-E794 IonicContact NH2-OE1 3.62Å; R769-E794 PolarHBondContact NH2-OE1 3.43Å; R769-E794 IonicContact NH2-OE2 3.22Å; T792-E794 PolarHBondContact O-N 3.47Å; T792-E794 WeakPolarHBondContact OG1-CB 3.26Å; T792-E794 PolarHBondContact OG1-N 2.92Å
795F94.2Very high91Very high3 Ų324 Ų241%0.01313%0.13CC..THydrogen-bonded Turntrans-97.5-26.8-177.9-51.4-79.4000113.1K685 T686 L765 I768 H772 L790 T792K685-F795 WeakPolarHBondContact CB-O 3.11Å; T686-F795 PolarHBondContact N-O 3.49Å; T686-F795 PolarHBondContact OG1-O 3.34Å; L765-F795 HydrophobicContact CD2-CE1 4.43Å; L765-F795 HydrophobicContact CD2-CZ 3.97Å; I768-F795 HydrophobicContact CB-CE1 4.28Å; I768-F795 HydrophobicContact CG2-CD1 3.83Å; I768-F795 HydrophobicContact CG2-CE1 4.07Å; H772-F795 AromaticContact CE1-CD1 3.88Å; L790-F795 HydrophobicContact CD2-CB 4.17Å; L790-F795 HydrophobicContact CD2-CD1 4.08Å; L790-F795 HydrophobicContact CD2-CD2 4.25Å; L790-F795 HydrophobicContact CD2-CG 3.89Å; T792-F795 PolarHBondContact O-N 3.25Å; T792-F795 WeakPolarHBondContact OG1-CD2 3.46Å
796A93.3Very high90.9Very high1 Ų123.9 Ų23.91%0.00814%0.135CC..  trans41.656.3178.900000112.8F682 R684 K685 T792 W869F682-A796 HydrophobicContact CE1-CB 3.89Å; F682-A796 HydrophobicContact CZ-CB 3.88Å; R684-A796 VanDerWaalsContact CA-O 3.31Å; R684-A796 WeakPolarHBondContact CA-O 3.31Å; R684-A796 WeakPolarHBondContact CB-O 3.32Å; R684-A796 VanDerWaalsContact CD-O 3.23Å; R684-A796 WeakPolarHBondContact CD-O 3.41Å; K685-A796 HydrophobicContact CD-CB 4.31Å; K685-A796 HydrophobicContact CG-CB 4.41Å; K685-A796 PolarHBondContact N-O 3.06Å; T792-A796 WeakPolarHBondContact O-CA 3.46Å; T792-A796 PolarHBondContact O-N 3.41Å; A796-W869 HydrophobicContact CB-CE3 4.48Å; A796-W869 HydrophobicContact CB-CZ3 4.44Å
797P94.8Very high90.1Very high1 Ų127.6 Ų27.61%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-69.8141.1-168.129.2-37.1000111.6R684 T686 V688 L790 R791 V799 W869R684-P797 PolarHBondContact NH1-O 3.47Å; T686-P797 CarbonylContact O-C 3.44Å; T686-P797 WeakPolarHBondContact O-CA 3.36Å; V688-P797 HydrophobicContact CG2-CB 3.74Å; L790-P797 HydrophobicContact CB-CG 4.33Å; L790-P797 WeakPolarHBondContact O-CD 3.2Å; L790-P797 WeakPolarHBondContact O-CG 3.45Å; R791-P797 HydrophobicContact CG-CG 4.41Å; P797-V799 HydrophobicContact CB-CG2 4.27Å; P797-W869 HydrophobicContact CG-CH2 4.17Å; P797-W869 HydrophobicContact CG-CZ2 4.38Å
798F94.9Very high89.1Confident11 Ų1132.3 Ų32.35%0.04818%0.182CC..EExtended strand (participates in β ladder)trans-97.4114.4160.9179.4-129.3000107.7R684 T686 L687 V688 V800 D836 L837 A854 V855 V858R684-F798 HydrophobicContact CB-CB 4.15Å; R684-F798 HydrophobicContact CG-CB 4.02Å; T686-F798 PolarHBondContact O-N 3.29Å; L687-F798 HydrophobicContact CD1-CD1 3.85Å; V688-F798 PolarHBondContact N-O 2.74Å; F798-V800 HydrophobicContact CD1-CG2 3.78Å; F798-V800 HydrophobicContact CE1-CG2 3.46Å; F798-V800 VanDerWaalsContact CE1-CG2 3.46Å; F798-V800 HydrophobicContact CG-CG2 4.44Å; F798-V800 HydrophobicContact CZ-CG2 3.87Å; F798-D836 HydrophobicContact CD2-CB 3.46Å; F798-D836 VanDerWaalsContact CD2-CB 3.46Å; F798-D836 HydrophobicContact CE2-CB 3.41Å; F798-D836 VanDerWaalsContact CE2-CB 3.41Å; F798-L837 HydrophobicContact CE2-CB 4.44Å; F798-L837 HydrophobicContact CZ-CB 4.13Å; F798-L837 HydrophobicContact CZ-CD2 4.23Å; F798-A854 HydrophobicContact CE1-CB 4.21Å; F798-A854 HydrophobicContact CZ-CB 4.12Å; F798-V855 HydrophobicContact CD1-CG2 4Å; F798-V855 HydrophobicContact CE1-CG2 4.03Å; F798-V858 HydrophobicContact CD2-CG1 4.35Å; F798-V858 HydrophobicContact CD2-CG2 4.21Å; F798-V858 HydrophobicContact CE2-CG2 3.69Å; F798-V858 HydrophobicContact CZ-CG2 3.87Å
799V94.8Very high87.7Confident0 Ų035.2 Ų35.20%021%0.208CC..EExtended strand (participates in β ladder)trans-100.4111.8-171.3-175.90000109.9V688 L690 L787 P797 Y834 F835 D836 L837V688-V799 HydrophobicContact CB-CG2 4.38Å; L690-V799 HydrophobicContact CD1-CG1 3.92Å; L690-V799 HydrophobicContact CG-CG1 4.33Å; L787-V799 HydrophobicContact CD1-CG1 3.94Å; L787-V799 HydrophobicContact CD1-CG2 4.18Å; L787-V799 HydrophobicContact CD2-CG2 3.81Å; P797-V799 HydrophobicContact CB-CG2 4.27Å; V799-Y834 WeakPolarHBondContact CB-O 3.43Å; V799-F835 HydrophobicContact CG1-CD1 4.03Å; V799-D836 PolarHBondContact N-OD2 2.69Å; V799-D836 PolarHBondContact O-N 2.77Å; V799-L837 PolarHBondContact O-N 3.18Å
800V96Very high86.2Confident0 Ų037 Ų370%024%0.235CC..EExtended strand (participates in β ladder)trans-111.6123.9178.4-171.80000109.7L687 V688 L689 L690 F798 I802 L837 I839 L851L687-V800 HydrophobicContact CD1-CG2 3.83Å; V688-V800 PolarHBondContact O-N 2.63Å; L689-V800 HydrophobicContact CD2-CB 4.3Å; L690-V800 PolarHBondContact N-O 2.79Å; F798-V800 HydrophobicContact CD1-CG2 3.78Å; F798-V800 HydrophobicContact CE1-CG2 3.46Å; F798-V800 VanDerWaalsContact CE1-CG2 3.46Å; F798-V800 HydrophobicContact CG-CG2 4.44Å; F798-V800 HydrophobicContact CZ-CG2 3.87Å; V800-I802 HydrophobicContact CG1-CD1 3.94Å; V800-L837 WeakPolarHBondContact CA-O 3.34Å; V800-L837 HydrophobicContact CG1-CB 4.29Å; V800-L837 HydrophobicContact CG1-CD2 4.29Å; V800-L837 HydrophobicContact CG1-CG 4.31Å; V800-L837 HydrophobicContact CG2-CB 4.32Å; V800-I839 HydrophobicContact CG1-CD1 3.98Å; V800-I839 HydrophobicContact CG1-CG1 4.12Å; V800-L851 HydrophobicContact CB-CD1 4.34Å; V800-L851 HydrophobicContact CG1-CD1 4.27Å; V800-L851 HydrophobicContact CG2-CD1 3.83Å
801F96.3Very high84.5Confident1 Ų144 Ų440%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-94121.3172.6-177-107.4000110.7L690 A803 S824 L827 Q828 F835 L837 T838 I839L690-F801 HydrophobicContact CB-CD2 4.03Å; F801-A803 HydrophobicContact CD1-CB 4.08Å; F801-A803 HydrophobicContact CE1-CB 3.74Å; F801-S824 WeakPolarHBondContact CZ-O 3.22Å; F801-L827 HydrophobicContact CE2-CB 3.68Å; F801-L827 HydrophobicContact CE2-CD1 4.37Å; F801-L827 HydrophobicContact CZ-CB 3.97Å; F801-Q828 HydrophobicContact CD1-CB 4.5Å; F801-Q828 HydrophobicContact CD1-CG 4.48Å; F801-Q828 HydrophobicContact CE1-CB 3.76Å; F801-Q828 HydrophobicContact CE1-CG 4.13Å; F801-Q828 HydrophobicContact CZ-CB 4.02Å; F801-F835 HydrophobicContact CB-CB 4.46Å; F801-F835 HydrophobicContact CB-CD1 4.03Å; F801-F835 HydrophobicContact CB-CD2 3.32Å; F801-F835 HydrophobicContact CB-CE1 4.08Å; F801-F835 HydrophobicContact CB-CE2 3.37Å; F801-F835 HydrophobicContact CB-CG 3.69Å; F801-F835 HydrophobicContact CB-CZ 3.77Å; F801-F835 HydrophobicContact CD1-CD2 4.2Å; F801-F835 AromaticContact CD1-CE2 3.64Å; F801-F835 HydrophobicContact CD1-CE2 3.64Å; F801-F835 HydrophobicContact CD1-CZ 4.28Å; F801-F835 HydrophobicContact CD2-CD2 4.42Å; F801-F835 HydrophobicContact CD2-CE1 4.02Å; F801-F835 AromaticContact CD2-CE2 3.59Å; F801-F835 HydrophobicContact CD2-CE2 3.59Å; F801-F835 AromaticContact CD2-CZ 3.36Å; F801-F835 HydrophobicContact CD2-CZ 3.36Å; F801-F835 HydrophobicContact CE1-CE2 4.31Å; F801-F835 HydrophobicContact CE2-CE2 4.26Å; F801-F835 AromaticContact CE2-CZ 3.98Å; F801-F835 HydrophobicContact CE2-CZ 3.98Å; F801-F835 AromaticContact CG-CD2 3.76Å; F801-F835 HydrophobicContact CG-CD2 3.76Å; F801-F835 HydrophobicContact CG-CE1 4.26Å; F801-F835 AromaticContact CG-CE2 3.23Å; F801-F835 HydrophobicContact CG-CE2 3.23Å; F801-F835 HydrophobicContact CG-CG 4.47Å; F801-F835 AromaticContact CG-CZ 3.54Å; F801-F835 HydrophobicContact CG-CZ 3.54Å; F801-L837 PolarHBondContact N-O 3.32Å; F801-T838 HydrophobicContact CD1-CG2 4.01Å; F801-T838 WeakPolarHBondContact O-CA 3.38Å; F801-I839 PolarHBondContact O-N 3.3Å
802I95.9Very high82.6Confident0 Ų049.4 Ų49.40%030%0.304CS..EExtended strand (participates in β ladder)trans-94.4101.7174.9-50.2-57.5000107.4L690 G691 V695 R697 I700 V800 I839 N841 T847L690-I802 PolarHBondContact O-N 2.79Å; G691-I802 WeakPolarHBondContact CA-O 3.46Å; V695-I802 HydrophobicContact CG1-CB 4.09Å; V695-I802 HydrophobicContact CG1-CG2 3.98Å; V695-I802 WeakPolarHBondContact CG1-O 3.25Å; V695-I802 HydrophobicContact CG2-CG2 4.09Å; R697-I802 HydrophobicContact CG-CB 4.49Å; I700-I802 HydrophobicContact CD1-CD1 4.49Å; I700-I802 HydrophobicContact CD1-CG1 4.39Å; I700-I802 HydrophobicContact CD1-CG2 4.17Å; V800-I802 HydrophobicContact CG1-CD1 3.94Å; I802-I839 HydrophobicContact CD1-CB 4.45Å; I802-N841 HydrophobicContact CG2-CB 3.69Å; I802-T847 HydrophobicContact CD1-CG2 4.12Å
803A93.8Very high81.1Confident4 Ų454.9 Ų54.93%0.03333%0.325CS..EExtended strand (participates in β ladder)trans-80.4154.1178.900000111.5V695 F801 S824 T838 I839 I840 N841V695-A803 WeakPolarHBondContact CG2-O 3.5Å; F801-A803 HydrophobicContact CD1-CB 4.08Å; F801-A803 HydrophobicContact CE1-CB 3.74Å; A803-S824 WeakPolarHBondContact CA-OG 3.3Å; A803-T838 HydrophobicContact CB-CG2 4.29Å; A803-I839 PolarHBondContact N-O 2.85Å; A803-I840 HydrophobicContact CB-CG1 4.34Å; A803-N841 PolarHBondContact O-N 3.32Å
804A91.7Very high80Confident4 Ų456.7 Ų56.73%0.03333%0.329CS..PPolyproline II helixtrans-60.9154178.800000113.3L820 Q821 S824 I840A804-L820 HydrophobicContact CB-CD2 4.41Å; A804-L820 HydrophobicContact CB-CG 4.15Å; A804-Q821 HydrophobicContact CB-CB 4.47Å; A804-S824 PolarHBondContact N-OG 3.46Å; A804-I840 WeakPolarHBondContact O-CG2 3.41Å
805P86.4Confident79.2Confident44 Ų4458.2 Ų58.229%0.28634%0.336SS..PPolyproline II helixtrans-61.5146.5177.5-11.922000111.9I807 Q821 N841P805-I807 PolarHBondContact O-N 3.07Å; P805-Q821 PolarHBondContact O-OE1 3.39Å; P805-N841 WeakPolarHBondContact CB-O 3.46Å; P805-N841 VanDerWaalsContact CG-O 3.29Å; P805-N841 WeakPolarHBondContact CG-O 3.41Å
806T81.3Confident78.3Confident88 Ų8861.3 Ų61.354%0.5436%0.358SS..  trans-71.2114177.6-550000110.7T808 N842T806-T808 PolarHBondContact O-N 2.81Å; T806-N842 PolarHBondContact N-OD1 2.8Å
807I71.1Confident77.6Confident86 Ų8665 Ų6544%0.44138%0.378SS..  trans-74.3108.6179.7-56.4178.1000110.4P805 L817 Q821P805-I807 PolarHBondContact O-N 3.07Å; I807-L817 HydrophobicContact CD1-CB 4.43Å; I807-Q821 HydrophobicContact CD1-CB 4.18Å
808T66.3Low76.9Confident100 Ų10069.4 Ų69.461%0.61340%0.398SS*.  trans-72.2122170.3-51.90000110.3T806 G810T806-T808 PolarHBondContact O-N 2.81Å; T808-G810 PolarHBondContact O-N 3.22Å; T808-G810 VanDerWaalsContact O-N 3.12Å
809P52.9Low76.3Confident128 Ų12876 Ų7683%0.83142%0.423SS*.THydrogen-bonded Turntrans-67.7112.2-18027.1-33.8000110.7
810G56.9Low75.9Confident79 Ų7977 Ų7781%0.81443%0.428SS*.THydrogen-bonded Turntrans144.8-17.2-178.500000114.7T808T808-G810 PolarHBondContact O-N 3.22Å; T808-G810 VanDerWaalsContact O-N 3.12Å
811L54.3Low75.5Confident147 Ų14779.5 Ų79.577%0.7744%0.439SS*.SBendtrans-89.8147.4165-73.4163.2000109.9
812N48.4Very low75Confident160 Ų16086.8 Ų86.886%0.85647%0.471SS*.  trans-55149.1-169-71.8-26.1000113.7D814N812-D814 VanDerWaalsContact C-N 3.26Å; N812-D814 PolarHBondContact O-N 3.21Å
813E59.4Low74.7Confident171 Ų17190 Ų9080%0.79949%0.486SS*.  trans-69.173.5179.8-61.6-173.9131.200112.7E815E813-E815 PolarHBondContact O-N 2.95Å
814D66.1Low74.7Confident83 Ų8389.8 Ų89.844%0.44449%0.485SS..  trans-69.8110.5169.3-168.1-35.6000109.5N812 S816 L817 Q818N812-D814 VanDerWaalsContact C-N 3.26Å; N812-D814 PolarHBondContact O-N 3.21Å; D814-S816 VanDerWaalsContact CG-OG 3.26Å; D814-S816 PolarHBondContact O-N 3.48Å; D814-S816 VanDerWaalsContact O-N 3.12Å; D814-S816 WeakPolarHBondContact OD1-CA 3.33Å; D814-S816 VanDerWaalsContact OD1-CB 3.23Å; D814-S816 WeakPolarHBondContact OD1-CB 3.21Å; D814-S816 PolarHBondContact OD1-N 3.44Å; D814-S816 PolarHBondContact OD1-OG 3.21Å; D814-S816 PolarHBondContact OD2-OG 2.81Å; D814-L817 HydrophobicContact CB-CB 4.3Å; D814-L817 HydrophobicContact CB-CD1 4.07Å; D814-L817 HydrophobicContact CB-CG 4.07Å; D814-L817 PolarHBondContact O-N 3.3Å; D814-Q818 PolarHBondContact O-N 2.75Å; D814-Q818 VanDerWaalsContact O-N 3.1Å
815E74.3Confident74.6Confident111 Ų11191.9 Ų91.952%0.51950%0.495SS..Hα-helixtrans-57.8-26.7179.7-149.4-154.6155.300112.2E813 R819E813-E815 PolarHBondContact O-N 2.95Å; E815-R819 VanDerWaalsContact CD-CZ 3.42Å; E815-R819 WeakPolarHBondContact O-CB 3.27Å; E815-R819 VanDerWaalsContact O-CD 3.28Å; E815-R819 WeakPolarHBondContact O-CD 3.41Å; E815-R819 WeakPolarHBondContact O-CG 3.33Å; E815-R819 PolarHBondContact O-N 3.35Å; E815-R819 IonicContact OE1-CZ 3.9Å; E815-R819 IonicContact OE1-NE 2.7Å; E815-R819 PolarHBondContact OE1-NE 2.99Å; E815-R819 IonicContact OE1-NH2 2.67Å; E815-R819 PolarHBondContact OE1-NH2 2.95Å; E815-R819 IonicContact OE2-CZ 2.72Å; E815-R819 IonicContact OE2-NE 2.74Å; E815-R819 IonicContact OE2-NH2 3.95Å; E815-R819 PolarHBondContact OE2-NH2 3.37Å
816S75.3Confident74.6Confident68 Ų6893.6 Ų93.648%0.47651%0.505SS..Hα-helixtrans-70.7-39.5175.875.60000112.5D814 R819 L820D814-S816 VanDerWaalsContact CG-OG 3.26Å; D814-S816 PolarHBondContact O-N 3.48Å; D814-S816 VanDerWaalsContact O-N 3.12Å; D814-S816 WeakPolarHBondContact OD1-CA 3.33Å; D814-S816 VanDerWaalsContact OD1-CB 3.23Å; D814-S816 WeakPolarHBondContact OD1-CB 3.21Å; D814-S816 PolarHBondContact OD1-N 3.44Å; D814-S816 PolarHBondContact OD1-OG 3.21Å; D814-S816 PolarHBondContact OD2-OG 2.81Å; S816-R819 PolarHBondContact O-N 2.75Å; S816-L820 WeakPolarHBondContact O-CB 3.34Å; S816-L820 PolarHBondContact O-N 3.48Å
817L78.3Confident74.9Confident80 Ų8090.8 Ų90.842%0.41949%0.486SS..Hα-helixtrans-68.9-39.5174.7-66.1179.5000111.4I807 D814 L820 Q821I807-L817 HydrophobicContact CD1-CB 4.43Å; D814-L817 HydrophobicContact CB-CB 4.3Å; D814-L817 HydrophobicContact CB-CD1 4.07Å; D814-L817 HydrophobicContact CB-CG 4.07Å; D814-L817 PolarHBondContact O-N 3.3Å; L817-L820 HydrophobicContact CD2-CD2 4.44Å; L817-L820 PolarHBondContact O-N 3.29Å; L817-Q821 PolarHBondContact O-N 2.9Å
818Q80.4Confident75.8Confident92 Ų9290.2 Ų90.243%0.4348%0.482SS..Hα-helixtrans-63.7-40.6174.3-65.6-172.41.700112.2D814 K822D814-Q818 PolarHBondContact O-N 2.75Å; D814-Q818 VanDerWaalsContact O-N 3.1Å; Q818-K822 WeakPolarHBondContact O-CB 3.4Å; Q818-K822 PolarHBondContact O-N 3.4Å
819R82.8Confident76.6Confident151 Ų15194.8 Ų94.857%0.5749%0.488SS*.Hα-helixtrans-63.9-45173.5-72.6163.6-177.9-174.22.4111.4E815 S816 K822 E823E815-R819 VanDerWaalsContact CD-CZ 3.42Å; E815-R819 WeakPolarHBondContact O-CB 3.27Å; E815-R819 VanDerWaalsContact O-CD 3.28Å; E815-R819 WeakPolarHBondContact O-CD 3.41Å; E815-R819 WeakPolarHBondContact O-CG 3.33Å; E815-R819 PolarHBondContact O-N 3.35Å; E815-R819 IonicContact OE1-CZ 3.9Å; E815-R819 IonicContact OE1-NE 2.7Å; E815-R819 PolarHBondContact OE1-NE 2.99Å; E815-R819 IonicContact OE1-NH2 2.67Å; E815-R819 PolarHBondContact OE1-NH2 2.95Å; E815-R819 IonicContact OE2-CZ 2.72Å; E815-R819 IonicContact OE2-NE 2.74Å; E815-R819 IonicContact OE2-NH2 3.95Å; E815-R819 PolarHBondContact OE2-NH2 3.37Å; S816-R819 PolarHBondContact O-N 2.75Å; R819-K822 PolarHBondContact O-N 2.87Å; R819-E823 WeakPolarHBondContact O-CB 3.38Å; R819-E823 PolarHBondContact O-N 2.91Å
820L87.3Confident78.1Confident21 Ų2192.1 Ų92.111%0.1147%0.469CS..Hα-helixtrans-58.5-48.4177.4-177.472.7000111.9A692 H693 V695 A804 S816 L817 E823 S824A692-L820 HydrophobicContact CB-CD1 3.77Å; H693-L820 VanDerWaalsContact O-CD1 3.31Å; H693-L820 WeakPolarHBondContact O-CD1 3.1Å; V695-L820 HydrophobicContact CB-CD1 4.13Å; A804-L820 HydrophobicContact CB-CD2 4.41Å; A804-L820 HydrophobicContact CB-CG 4.15Å; S816-L820 WeakPolarHBondContact O-CB 3.34Å; S816-L820 PolarHBondContact O-N 3.48Å; L817-L820 HydrophobicContact CD2-CD2 4.44Å; L817-L820 PolarHBondContact O-N 3.29Å; L820-E823 PolarHBondContact O-N 2.68Å; L820-S824 WeakPolarHBondContact O-CB 3.33Å; L820-S824 PolarHBondContact O-N 3.26Å
821Q86.3Confident79.5Confident51 Ų5191 Ų9124%0.23844%0.441CS..Hα-helixtrans-61-47176.6-174.5645400111A804 P805 I807 L817 E823 S824 D825A804-Q821 HydrophobicContact CB-CB 4.47Å; P805-Q821 PolarHBondContact O-OE1 3.39Å; I807-Q821 HydrophobicContact CD1-CB 4.18Å; L817-Q821 PolarHBondContact O-N 2.9Å; Q821-E823 VanDerWaalsContact C-N 3.32Å; Q821-E823 PolarHBondContact O-N 2.78Å; Q821-S824 WeakPolarHBondContact O-CB 3.39Å; Q821-S824 PolarHBondContact O-N 3.05Å; Q821-D825 PolarHBondContact NE2-OD1 2.86Å; Q821-D825 WeakPolarHBondContact O-CB 3.49Å; Q821-D825 PolarHBondContact O-N 3.41Å
822K87.1Confident81.1Confident155 Ų15585.6 Ų85.667%0.67442%0.417SS*.Hα-helixtrans-62.3-37.8-179.8-174.6173.5-177.7172.80112.9Q818 R819 V826Q818-K822 WeakPolarHBondContact O-CB 3.4Å; Q818-K822 PolarHBondContact O-N 3.4Å; R819-K822 PolarHBondContact O-N 2.87Å; K822-V826 WeakPolarHBondContact O-CG2 3.32Å; K822-V826 PolarHBondContact O-N 3.25Å; K822-V826 VanDerWaalsContact O-N 3.16Å
823E88.9Confident82.8Confident67 Ų6779.3 Ų79.331%0.31338%0.383SS..Hα-helixtrans-68.9-42.6174.9-169-176.712800111.3A692 H693 R819 L820 Q821 V826 L827A692-E823 WeakPolarHBondContact CA-OE1 3.03Å; A692-E823 HydrophobicContact CB-CB 3.86Å; A692-E823 HydrophobicContact CB-CG 3.88Å; A692-E823 WeakPolarHBondContact CB-OE1 3.39Å; H693-E823 IonicContact CD2-OE1 2.89Å; H693-E823 PolarHBondContact CD2-OE1 3.06Å; H693-E823 VanDerWaalsContact CD2-OE1 3.24Å; H693-E823 IonicContact CG-OE1 3.86Å; H693-E823 PolarHBondContact N-OE1 3.02Å; R819-E823 WeakPolarHBondContact O-CB 3.38Å; R819-E823 PolarHBondContact O-N 2.91Å; L820-E823 PolarHBondContact O-N 2.68Å; Q821-E823 VanDerWaalsContact C-N 3.32Å; Q821-E823 PolarHBondContact O-N 2.78Å; E823-V826 PolarHBondContact O-N 3.04Å; E823-L827 HydrophobicContact CG-CD1 4.26Å; E823-L827 WeakPolarHBondContact O-CG 3.15Å; E823-L827 PolarHBondContact O-N 2.99Å
824S92.4Very high84.1Confident0 Ų072 Ų720%035%0.348CS..Hα-helixtrans-58.3-48.6173.8-177.10000111.7F801 A803 A804 L820 Q821 V826 L827 Q828F801-S824 WeakPolarHBondContact CZ-O 3.22Å; A803-S824 WeakPolarHBondContact CA-OG 3.3Å; A804-S824 PolarHBondContact N-OG 3.46Å; L820-S824 WeakPolarHBondContact O-CB 3.33Å; L820-S824 PolarHBondContact O-N 3.26Å; Q821-S824 WeakPolarHBondContact O-CB 3.39Å; Q821-S824 PolarHBondContact O-N 3.05Å; S824-V826 VanDerWaalsContact C-N 3.32Å; S824-V826 PolarHBondContact O-N 3.41Å; S824-L827 PolarHBondContact O-N 3.21Å; S824-Q828 WeakPolarHBondContact O-CB 3.21Å; S824-Q828 PolarHBondContact O-N 2.94Å
825D89.7Confident85.3Confident47 Ų4769.4 Ų69.425%0.25133%0.332SS..Hα-helixtrans-56.5-43176.3-93.652.4000112.6Q821 R829Q821-D825 PolarHBondContact NE2-OD1 2.86Å; Q821-D825 WeakPolarHBondContact O-CB 3.49Å; Q821-D825 PolarHBondContact O-N 3.41Å; D825-R829 WeakPolarHBondContact O-CB 3.14Å; D825-R829 WeakPolarHBondContact O-CD 3.06Å; D825-R829 WeakPolarHBondContact O-CG 3.31Å; D825-R829 PolarHBondContact O-N 2.9Å; D825-R829 IonicContact OD2-CZ 3.96Å; D825-R829 IonicContact OD2-NE 3.78Å; D825-R829 IonicContact OD2-NH2 3.68Å; D825-R829 PolarHBondContact OD2-NH2 3.19Å
826V87.8Confident86.1Confident81 Ų8166.7 Ų66.749%0.49132%0.321SS..Hα-helixtrans-67.9-49.2178.4168.20000110.6K822 E823 S824 Q828 R829 T830K822-V826 WeakPolarHBondContact O-CG2 3.32Å; K822-V826 PolarHBondContact O-N 3.25Å; K822-V826 VanDerWaalsContact O-N 3.16Å; E823-V826 PolarHBondContact O-N 3.04Å; S824-V826 VanDerWaalsContact C-N 3.32Å; S824-V826 PolarHBondContact O-N 3.41Å; V826-Q828 VanDerWaalsContact C-N 3.29Å; V826-Q828 PolarHBondContact O-N 2.87Å; V826-R829 PolarHBondContact O-N 3.08Å; V826-T830 WeakPolarHBondContact O-CB 3.48Å; V826-T830 PolarHBondContact O-N 3.4Å; V826-T830 PolarHBondContact O-OG1 3.32Å
827L88.1Confident86.9Confident28 Ų2866.2 Ų66.215%0.14731%0.313CS..Hα-helixtrans-58.6-41.7178-70.8170.7000111.7A692 P784 F801 E823 S824 Y831A692-L827 HydrophobicContact CB-CD1 4.32Å; P784-L827 HydrophobicContact CG-CD2 3.93Å; F801-L827 HydrophobicContact CE2-CB 3.68Å; F801-L827 HydrophobicContact CE2-CD1 4.37Å; F801-L827 HydrophobicContact CZ-CB 3.97Å; E823-L827 HydrophobicContact CG-CD1 4.26Å; E823-L827 WeakPolarHBondContact O-CG 3.15Å; E823-L827 PolarHBondContact O-N 2.99Å; S824-L827 PolarHBondContact O-N 3.21Å; L827-Y831 HydrophobicContact CD2-CD2 4.1Å; L827-Y831 HydrophobicContact CD2-CE2 4.08Å; L827-Y831 WeakPolarHBondContact O-CB 3.48Å; L827-Y831 PolarHBondContact O-N 3.1Å
828Q89.1Confident87.6Confident75 Ų7565.1 Ų65.135%0.3531%0.31SS..Hα-helixtrans-65.9-47.5177.6-168172.2-0.400111.6F801 S824 V826 T830 A832 F835F801-Q828 HydrophobicContact CD1-CB 4.5Å; F801-Q828 HydrophobicContact CD1-CG 4.48Å; F801-Q828 HydrophobicContact CE1-CB 3.76Å; F801-Q828 HydrophobicContact CE1-CG 4.13Å; F801-Q828 HydrophobicContact CZ-CB 4.02Å; S824-Q828 WeakPolarHBondContact O-CB 3.21Å; S824-Q828 PolarHBondContact O-N 2.94Å; V826-Q828 VanDerWaalsContact C-N 3.29Å; V826-Q828 PolarHBondContact O-N 2.87Å; Q828-T830 VanDerWaalsContact C-N 3.3Å; Q828-T830 PolarHBondContact O-N 2.82Å; Q828-A832 WeakPolarHBondContact O-CB 3.4Å; Q828-A832 PolarHBondContact O-N 2.68Å; Q828-F835 HydrophobicContact CG-CE2 4.39Å
829R83.8Confident88.3Confident196 Ų19661.5 Ų61.574%0.7429%0.293SS*.Hα-helixtrans-63.5-32.6178.8-69.9167.7-157.5-156.78113.2D825 V826D825-R829 WeakPolarHBondContact O-CB 3.14Å; D825-R829 WeakPolarHBondContact O-CD 3.06Å; D825-R829 WeakPolarHBondContact O-CG 3.31Å; D825-R829 PolarHBondContact O-N 2.9Å; D825-R829 IonicContact OD2-CZ 3.96Å; D825-R829 IonicContact OD2-NE 3.78Å; D825-R829 IonicContact OD2-NH2 3.68Å; D825-R829 PolarHBondContact OD2-NH2 3.19Å; V826-R829 PolarHBondContact O-N 3.08Å
830T82.7Confident88.8Confident72 Ų7258.4 Ų58.444%0.44229%0.288SS..Hα-helixtrans-84.3-39.4-179.5-58.90000112.8V826 Q828 H833V826-T830 WeakPolarHBondContact O-CB 3.48Å; V826-T830 PolarHBondContact O-N 3.4Å; V826-T830 PolarHBondContact O-OG1 3.32Å; Q828-T830 VanDerWaalsContact C-N 3.3Å; Q828-T830 PolarHBondContact O-N 2.82Å; T830-H833 PolarHBondContact O-CE1 2.82Å; T830-H833 VanDerWaalsContact O-CE1 3.23Å; T830-H833 PolarHBondContact O-ND1 2.89Å
831Y87.3Confident89Confident55 Ų5557.9 Ų57.922%0.21629%0.285CS..Hα-helixtrans-118.75.6-166-58.5-67.6000115.7P784 L827 H833 Y834 F835P784-Y831 HydrophobicContact CB-CD1 3.94Å; P784-Y831 HydrophobicContact CB-CD2 3.67Å; P784-Y831 HydrophobicContact CB-CE1 3.97Å; P784-Y831 HydrophobicContact CB-CE2 3.7Å; P784-Y831 HydrophobicContact CB-CG 3.78Å; P784-Y831 HydrophobicContact CG-CD2 3.67Å; P784-Y831 HydrophobicContact CG-CE2 3.72Å; P784-Y831 HydrophobicContact CG-CG 4.24Å; L827-Y831 HydrophobicContact CD2-CD2 4.1Å; L827-Y831 HydrophobicContact CD2-CE2 4.08Å; L827-Y831 WeakPolarHBondContact O-CB 3.48Å; L827-Y831 PolarHBondContact O-N 3.1Å; Y831-H833 PolarHBondContact O-N 2.81Å; Y831-Y834 HydrophobicContact CD1-CD2 4.02Å; Y831-Y834 HydrophobicContact CD1-CE2 4.15Å; Y831-Y834 WeakPolarHBondContact O-CB 3.37Å; Y831-Y834 PolarHBondContact O-N 2.79Å; Y831-F835 WeakPolarHBondContact O-CD1 3.21Å; Y831-F835 WeakPolarHBondContact O-CE1 3.47Å
832A86.8Confident89Confident33 Ų3359.7 Ų59.727%0.27330%0.296SS..G310 helixtrans-48.7-34.8-179.300000114.9Q828 Y834 F835Q828-A832 WeakPolarHBondContact O-CB 3.4Å; Q828-A832 PolarHBondContact O-N 2.68Å; A832-Y834 PolarHBondContact O-N 2.92Å; A832-F835 HydrophobicContact CB-CD2 4.44Å; A832-F835 HydrophobicContact CB-CE2 4.44Å; A832-F835 PolarHBondContact O-N 3.33Å; A832-F835 VanDerWaalsContact O-N 3.1Å
833H85.7Confident89.2Confident29 Ų2958.9 Ų58.913%0.13430%0.295CS..G310 helixtrans-60.4-26.5178.362-94.9000113.9Q565 V587 V671 T830 Y831Q565-H833 HydrophobicContact CB-CB 4.25Å; Q565-H833 WeakPolarHBondContact O-CB 3.1Å; Q565-H833 PolarHBondContact OE1-O 2.9Å; Q565-H833 VanDerWaalsContact OE1-O 3.08Å; V587-H833 HydrophobicContact CG1-CB 4.25Å; V671-H833 HydrophobicContact CG1-CB 4.15Å; T830-H833 PolarHBondContact O-CE1 2.82Å; T830-H833 VanDerWaalsContact O-CE1 3.23Å; T830-H833 PolarHBondContact O-ND1 2.89Å; Y831-H833 PolarHBondContact O-N 2.81Å
834Y87.1Confident89.2Confident17 Ų1758.5 Ų58.57%0.06729%0.294CS..G310 helixtrans-83.6-13176.7-71.1-46.5000114.9L787 R791 V799 Y831 A832L787-Y834 HydrophobicContact CD1-CD2 4.11Å; L787-Y834 HydrophobicContact CD1-CG 3.86Å; R791-Y834 PolarHBondContact NH1-O 2.84Å; R791-Y834 VanDerWaalsContact NH1-O 3.13Å; V799-Y834 WeakPolarHBondContact CB-O 3.43Å; Y831-Y834 HydrophobicContact CD1-CD2 4.02Å; Y831-Y834 HydrophobicContact CD1-CE2 4.15Å; Y831-Y834 WeakPolarHBondContact O-CB 3.37Å; Y831-Y834 PolarHBondContact O-N 2.79Å; A832-Y834 PolarHBondContact O-N 2.92Å
835F90.6Very high89.1Confident28 Ų2864.5 Ų64.512%0.12333%0.326CS..  trans-85.4129.4-171.5-50.4-19.1000111.4L690 V799 F801 Q828 Y831 A832L690-F835 HydrophobicContact CD1-CD1 4.28Å; L690-F835 HydrophobicContact CD1-CE1 3.81Å; V799-F835 HydrophobicContact CG1-CD1 4.03Å; F801-F835 HydrophobicContact CB-CB 4.46Å; F801-F835 HydrophobicContact CB-CD1 4.03Å; F801-F835 HydrophobicContact CB-CD2 3.32Å; F801-F835 HydrophobicContact CB-CE1 4.08Å; F801-F835 HydrophobicContact CB-CE2 3.37Å; F801-F835 HydrophobicContact CB-CG 3.69Å; F801-F835 HydrophobicContact CB-CZ 3.77Å; F801-F835 HydrophobicContact CD1-CD2 4.2Å; F801-F835 AromaticContact CD1-CE2 3.64Å; F801-F835 HydrophobicContact CD1-CE2 3.64Å; F801-F835 HydrophobicContact CD1-CZ 4.28Å; F801-F835 HydrophobicContact CD2-CD2 4.42Å; F801-F835 HydrophobicContact CD2-CE1 4.02Å; F801-F835 AromaticContact CD2-CE2 3.59Å; F801-F835 HydrophobicContact CD2-CE2 3.59Å; F801-F835 AromaticContact CD2-CZ 3.36Å; F801-F835 HydrophobicContact CD2-CZ 3.36Å; F801-F835 HydrophobicContact CE1-CE2 4.31Å; F801-F835 HydrophobicContact CE2-CE2 4.26Å; F801-F835 AromaticContact CE2-CZ 3.98Å; F801-F835 HydrophobicContact CE2-CZ 3.98Å; F801-F835 AromaticContact CG-CD2 3.76Å; F801-F835 HydrophobicContact CG-CD2 3.76Å; F801-F835 HydrophobicContact CG-CE1 4.26Å; F801-F835 AromaticContact CG-CE2 3.23Å; F801-F835 HydrophobicContact CG-CE2 3.23Å; F801-F835 HydrophobicContact CG-CG 4.47Å; F801-F835 AromaticContact CG-CZ 3.54Å; F801-F835 HydrophobicContact CG-CZ 3.54Å; Q828-F835 HydrophobicContact CG-CE2 4.39Å; Y831-F835 WeakPolarHBondContact O-CD1 3.21Å; Y831-F835 WeakPolarHBondContact O-CE1 3.47Å; A832-F835 HydrophobicContact CB-CD2 4.44Å; A832-F835 HydrophobicContact CB-CE2 4.44Å; A832-F835 PolarHBondContact O-N 3.33Å; A832-F835 VanDerWaalsContact O-N 3.1Å
836D90.1Very high89.2Confident54 Ų5466.4 Ų66.429%0.28933%0.334SS..SBendtrans-78.4-27.8165.9-65.9-90000111.5R684 F798 V799R684-D836 IonicContact CZ-OD1 2.81Å; R684-D836 VanDerWaalsContact CZ-OD1 3.26Å; R684-D836 IonicContact CZ-OD2 3.12Å; R684-D836 IonicContact NH1-OD1 3.71Å; R684-D836 PolarHBondContact NH1-OD1 2.89Å; R684-D836 IonicContact NH1-OD2 2.9Å; R684-D836 PolarHBondContact NH1-OD2 3.35Å; R684-D836 IonicContact NH2-OD1 3.44Å; R684-D836 PolarHBondContact NH2-OD1 3.29Å; F798-D836 HydrophobicContact CD2-CB 3.46Å; F798-D836 VanDerWaalsContact CD2-CB 3.46Å; F798-D836 HydrophobicContact CE2-CB 3.41Å; F798-D836 VanDerWaalsContact CE2-CB 3.41Å; V799-D836 PolarHBondContact N-OD2 2.69Å; V799-D836 PolarHBondContact O-N 2.77Å
837L92.3Very high89.5Confident58 Ų5862.6 Ų62.630%0.30431%0.311SS..EExtended strand (participates in β ladder)trans-149.6148.1-178.9-179.361.8000111.6F798 V799 V800 F801 I839 A854F798-L837 HydrophobicContact CE2-CB 4.44Å; F798-L837 HydrophobicContact CZ-CB 4.13Å; F798-L837 HydrophobicContact CZ-CD2 4.23Å; V799-L837 PolarHBondContact O-N 3.18Å; V800-L837 WeakPolarHBondContact CA-O 3.34Å; V800-L837 HydrophobicContact CG1-CB 4.29Å; V800-L837 HydrophobicContact CG1-CD2 4.29Å; V800-L837 HydrophobicContact CG1-CG 4.31Å; V800-L837 HydrophobicContact CG2-CB 4.32Å; F801-L837 PolarHBondContact N-O 3.32Å; L837-I839 HydrophobicContact CD2-CD1 3.97Å; L837-I839 HydrophobicContact CD2-CG1 3.98Å; L837-I839 HydrophobicContact CG-CG1 4.04Å; L837-A854 HydrophobicContact CD2-CB 3.6Å
838T93.5Very high89.8Confident57 Ų5761.6 Ų61.635%0.3531%0.305SS..EExtended strand (participates in β ladder)trans-122.1132.6167.6-67.30000109.7F801 A803F801-T838 HydrophobicContact CD1-CG2 4.01Å; F801-T838 WeakPolarHBondContact O-CA 3.38Å; A803-T838 HydrophobicContact CB-CG2 4.29Å
839I94.4Very high90Very high16 Ų1662.5 Ų62.58%0.08231%0.305CS..EExtended strand (participates in β ladder)trans-124.8130.5175.1-50.2177000108.5V800 F801 I802 A803 L837 T847 H850 L851V800-I839 HydrophobicContact CG1-CD1 3.98Å; V800-I839 HydrophobicContact CG1-CG1 4.12Å; F801-I839 PolarHBondContact O-N 3.3Å; I802-I839 HydrophobicContact CD1-CB 4.45Å; A803-I839 PolarHBondContact N-O 2.85Å; L837-I839 HydrophobicContact CD2-CD1 3.97Å; L837-I839 HydrophobicContact CD2-CG1 3.98Å; L837-I839 HydrophobicContact CG-CG1 4.04Å; I839-T847 HydrophobicContact CG2-CG2 4.04Å; I839-H850 HydrophobicContact CD1-CB 4.24Å; I839-L851 HydrophobicContact CD1-CB 4.26Å
840I93.3Very high90.5Very high87 Ų8756.3 Ų56.345%0.44629%0.285SS..EExtended strand (participates in β ladder)trans-85114.1173.5-60.3176.2000107.9A803 A804 N842A803-I840 HydrophobicContact CB-CG1 4.34Å; A804-I840 WeakPolarHBondContact O-CG2 3.41Å; I840-N842 VanDerWaalsContact C-N 3.29Å; I840-N842 WeakPolarHBondContact CG2-OD1 3.35Å; I840-N842 PolarHBondContact O-N 3.26Å
841N91.6Very high91Very high10 Ų1053 Ų535%0.05326%0.264CS..  trans-81.774.3-177.2-174.612.4000111.4V695 I802 A803 P805 E843 I844 T847V695-N841 HydrophobicContact CG2-CB 4.41Å; V695-N841 PolarHBondContact O-ND2 3.33Å; I802-N841 HydrophobicContact CG2-CB 3.69Å; A803-N841 PolarHBondContact O-N 3.32Å; P805-N841 WeakPolarHBondContact CB-O 3.46Å; P805-N841 VanDerWaalsContact CG-O 3.29Å; P805-N841 WeakPolarHBondContact CG-O 3.41Å; N841-E843 PolarHBondContact OD1-O 3.16Å; N841-I844 WeakPolarHBondContact OD1-CA 3.35Å; N841-I844 PolarHBondContact OD1-N 2.63Å; N841-T847 WeakPolarHBondContact CA-OG1 3.47Å; N841-T847 HydrophobicContact CB-CG2 4.47Å; N841-T847 PolarHBondContact OD1-OG1 2.89Å; N841-T847 VanDerWaalsContact OD1-OG1 3.13Å
842N87.6Confident91.3Very high89 Ų8951.7 Ų51.748%0.47626%0.26SS..SBendtrans-74.9-44.1169.1-66.2-31.3000110.8T806 I840T806-N842 PolarHBondContact N-OD1 2.8Å; I840-N842 VanDerWaalsContact C-N 3.29Å; I840-N842 WeakPolarHBondContact CG2-OD1 3.35Å; I840-N842 PolarHBondContact O-N 3.26Å
843E89.5Confident91.6Very high138 Ų13854.7 Ų54.765%0.64527%0.269SS*.SBendtrans-131.5134.9174.1-65.7-173.6-169.200110.3N841 E846 T847N841-E843 PolarHBondContact OD1-O 3.16Å; E843-E846 HydrophobicContact CB-CB 4.33Å; E843-T847 WeakPolarHBondContact O-CB 3.43Å; E843-T847 PolarHBondContact O-N 3.16Å; E843-T847 PolarHBondContact O-OG1 3.09Å
844I89.1Confident91.9Very high59 Ų5954 Ų5430%0.30327%0.268SS..Hα-helixtrans-72.5-39.5-171.1-59.3177.1000111.3I700 N841 T847 I848I700-I844 HydrophobicContact CG1-CG2 3.96Å; N841-I844 WeakPolarHBondContact OD1-CA 3.35Å; N841-I844 PolarHBondContact OD1-N 2.63Å; I844-T847 WeakPolarHBondContact O-CB 3.47Å; I844-T847 PolarHBondContact O-N 2.97Å; I844-I848 HydrophobicContact CG2-CD1 3.91Å; I844-I848 HydrophobicContact CG2-CG1 4.44Å; I844-I848 VanDerWaalsContact O-CG1 3.31Å; I844-I848 WeakPolarHBondContact O-CG1 3.38Å; I844-I848 PolarHBondContact O-N 2.99Å
845D90.6Very high92.1Very high125 Ų12553.6 Ų53.667%0.66827%0.267SS*.Hα-helixtrans-68-37179.7-66.2-55.9000112.1I848 R849D845-I848 PolarHBondContact O-N 3.5Å; D845-R849 PolarHBondContact O-N 3.01Å
846E93.1Very high91.9Very high87 Ų8757.6 Ų57.641%0.40729%0.286SS..Hα-helixtrans-66.8-41.8171.2-167.4-174.5-151.500111.5E843 I848 R849 H850E843-E846 HydrophobicContact CB-CB 4.33Å; E846-I848 VanDerWaalsContact C-N 3.28Å; E846-I848 PolarHBondContact O-N 3.11Å; E846-R849 PolarHBondContact O-N 3.38Å; E846-R849 IonicContact OE1-NH2 2.74Å; E846-R849 PolarHBondContact OE1-NH2 2.97Å; E846-H850 PolarHBondContact O-N 3.38Å; E846-H850 PolarHBondContact O-ND1 3.03Å; E846-H850 IonicContact OE1-CE1 3.42Å; E846-H850 PolarHBondContact OE1-CE1 2.82Å; E846-H850 VanDerWaalsContact OE1-CE1 3.29Å
847T93.4Very high91.9Very high2 Ų260.2 Ų60.21%0.01230%0.3CS..Hα-helixtrans-59.1-39.9175.1-61.60000111.6I700 I802 I839 N841 E843 I844 L851I700-T847 HydrophobicContact CD1-CG2 3.79Å; I802-T847 HydrophobicContact CD1-CG2 4.12Å; I839-T847 HydrophobicContact CG2-CG2 4.04Å; N841-T847 WeakPolarHBondContact CA-OG1 3.47Å; N841-T847 HydrophobicContact CB-CG2 4.47Å; N841-T847 PolarHBondContact OD1-OG1 2.89Å; N841-T847 VanDerWaalsContact OD1-OG1 3.13Å; E843-T847 WeakPolarHBondContact O-CB 3.43Å; E843-T847 PolarHBondContact O-N 3.16Å; E843-T847 PolarHBondContact O-OG1 3.09Å; I844-T847 WeakPolarHBondContact O-CB 3.47Å; I844-T847 PolarHBondContact O-N 2.97Å; T847-L851 VanDerWaalsContact O-CB 3.24Å; T847-L851 WeakPolarHBondContact O-CB 3.48Å; T847-L851 PolarHBondContact O-N 3.31Å; T847-L851 VanDerWaalsContact O-N 3.09Å
848I94.2Very high91.5Very high6 Ų658.6 Ų58.63%0.03129%0.292CS..Hα-helixtrans-65.7-47.3174.4-70.4163.7000110.5I700 T703 L704 I844 D845 E846 H850 L851 E852I700-I848 HydrophobicContact CB-CG1 4.41Å; I700-I848 HydrophobicContact CG1-CG1 4.16Å; I700-I848 HydrophobicContact CG2-CG1 4.17Å; T703-I848 HydrophobicContact CG2-CD1 3.85Å; L704-I848 HydrophobicContact CD2-CG2 4.18Å; I844-I848 HydrophobicContact CG2-CD1 3.91Å; I844-I848 HydrophobicContact CG2-CG1 4.44Å; I844-I848 VanDerWaalsContact O-CG1 3.31Å; I844-I848 WeakPolarHBondContact O-CG1 3.38Å; I844-I848 PolarHBondContact O-N 2.99Å; D845-I848 PolarHBondContact O-N 3.5Å; E846-I848 VanDerWaalsContact C-N 3.28Å; E846-I848 PolarHBondContact O-N 3.11Å; I848-H850 PolarHBondContact O-N 3.02Å; I848-L851 WeakPolarHBondContact O-CB 3.39Å; I848-L851 PolarHBondContact O-N 2.9Å; I848-L851 VanDerWaalsContact O-N 3.16Å; I848-E852 HydrophobicContact CG2-CG 4.38Å; I848-E852 WeakPolarHBondContact O-CG 3.25Å; I848-E852 PolarHBondContact O-N 3.22Å
849R93.9Very high90.8Very high94 Ų9458 Ų5836%0.35529%0.29SS..Hα-helixtrans-57.8-49.9177.9-177.5-174.960.270.44.4111.9D845 E846 L851 E852 E853D845-R849 PolarHBondContact O-N 3.01Å; E846-R849 PolarHBondContact O-N 3.38Å; E846-R849 IonicContact OE1-NH2 2.74Å; E846-R849 PolarHBondContact OE1-NH2 2.97Å; R849-L851 VanDerWaalsContact C-N 3.25Å; R849-L851 PolarHBondContact O-N 3.29Å; R849-E852 PolarHBondContact O-N 3.07Å; R849-E853 WeakPolarHBondContact CD-OE1 3.35Å; R849-E853 VanDerWaalsContact CG-OE1 3.26Å; R849-E853 WeakPolarHBondContact CG-OE1 3.39Å; R849-E853 IonicContact CZ-OE1 2.78Å; R849-E853 IonicContact NH1-OE1 3.66Å; R849-E853 PolarHBondContact NH1-OE1 2.95Å; R849-E853 IonicContact NH1-OE2 2.81Å; R849-E853 PolarHBondContact NH1-OE2 3.41Å; R849-E853 WeakPolarHBondContact O-CG 3.44Å; R849-E853 PolarHBondContact O-N 3.03Å
850H94Very high90.3Very high67 Ų6761.9 Ų61.931%0.3131%0.314SS..Hα-helixtrans-61.4-33.8177.6-74.9142000112.6I839 E846 I848 E853 A854I839-H850 HydrophobicContact CD1-CB 4.24Å; E846-H850 PolarHBondContact O-N 3.38Å; E846-H850 PolarHBondContact O-ND1 3.03Å; E846-H850 IonicContact OE1-CE1 3.42Å; E846-H850 PolarHBondContact OE1-CE1 2.82Å; E846-H850 VanDerWaalsContact OE1-CE1 3.29Å; I848-H850 PolarHBondContact O-N 3.02Å; H850-E853 IonicContact CD2-OE2 2.89Å; H850-A854 WeakPolarHBondContact O-CB 3.45Å; H850-A854 PolarHBondContact O-N 3.46Å
851L94.1Very high90Very high1 Ų159.1 Ų59.11%0.00531%0.305CS..Hα-helixtrans-72.6-37.7176.7-179.855.1000112.6L687 L689 I700 L704 V800 I839 T847 I848 R849 V855L687-L851 HydrophobicContact CD1-CD1 3.98Å; L687-L851 HydrophobicContact CD2-CD1 4.28Å; L687-L851 HydrophobicContact CD2-CD2 4.44Å; L687-L851 HydrophobicContact CD2-CG 4.49Å; L689-L851 HydrophobicContact CD2-CD2 3.85Å; I700-L851 HydrophobicContact CG2-CD2 3.62Å; L704-L851 HydrophobicContact CD1-CD2 3.72Å; L704-L851 HydrophobicContact CD1-CG 4.26Å; V800-L851 HydrophobicContact CB-CD1 4.34Å; V800-L851 HydrophobicContact CG1-CD1 4.27Å; V800-L851 HydrophobicContact CG2-CD1 3.83Å; I839-L851 HydrophobicContact CD1-CB 4.26Å; T847-L851 VanDerWaalsContact O-CB 3.24Å; T847-L851 WeakPolarHBondContact O-CB 3.48Å; T847-L851 PolarHBondContact O-N 3.31Å; T847-L851 VanDerWaalsContact O-N 3.09Å; I848-L851 WeakPolarHBondContact O-CB 3.39Å; I848-L851 PolarHBondContact O-N 2.9Å; I848-L851 VanDerWaalsContact O-N 3.16Å; R849-L851 VanDerWaalsContact C-N 3.25Å; R849-L851 PolarHBondContact O-N 3.29Å; L851-V855 HydrophobicContact CD1-CG2 4.26Å; L851-V855 VanDerWaalsContact O-CG2 3.31Å; L851-V855 WeakPolarHBondContact O-CG2 3.17Å; L851-V855 PolarHBondContact O-N 3.34Å
852E92.5Very high89.8Confident29 Ų2962.7 Ų62.714%0.13633%0.329CS..Hα-helixtrans-62.2-50172.6-70.1175.313700111.2L704 K707 H708 I848 R849 A854 V855 E856L704-E852 HydrophobicContact CD2-CG 3.68Å; K707-E852 VanDerWaalsContact CD-OE1 3.29Å; K707-E852 WeakPolarHBondContact CD-OE1 3.47Å; K707-E852 WeakPolarHBondContact CE-OE1 3.47Å; K707-E852 IonicContact NZ-OE1 2.73Å; K707-E852 PolarHBondContact NZ-OE1 3.38Å; K707-E852 IonicContact NZ-OE2 3.91Å; K707-E852 PolarHBondContact NZ-OE2 3.38Å; H708-E852 IonicContact CD2-OE1 3.7Å; H708-E852 IonicContact CE1-OE1 3.75Å; H708-E852 IonicContact NE2-OE1 3.18Å; H708-E852 PolarHBondContact NE2-OE1 2.87Å; I848-E852 HydrophobicContact CG2-CG 4.38Å; I848-E852 WeakPolarHBondContact O-CG 3.25Å; I848-E852 PolarHBondContact O-N 3.22Å; R849-E852 PolarHBondContact O-N 3.07Å; E852-A854 PolarHBondContact O-N 2.99Å; E852-V855 PolarHBondContact O-N 3.39Å; E852-E856 PolarHBondContact O-N 2.86Å; E852-E856 VanDerWaalsContact O-N 3.12Å
853E92.9Very high89.9Confident96 Ų9659.2 Ų59.245%0.44931%0.31SS..Hα-helixtrans-59.3-43.1176.7-71.6166.9-17200111.8R849 H850 E856 L857R849-E853 WeakPolarHBondContact CD-OE1 3.35Å; R849-E853 VanDerWaalsContact CG-OE1 3.26Å; R849-E853 WeakPolarHBondContact CG-OE1 3.39Å; R849-E853 IonicContact CZ-OE1 2.78Å; R849-E853 IonicContact NH1-OE1 3.66Å; R849-E853 PolarHBondContact NH1-OE1 2.95Å; R849-E853 IonicContact NH1-OE2 2.81Å; R849-E853 PolarHBondContact NH1-OE2 3.41Å; R849-E853 WeakPolarHBondContact O-CG 3.44Å; R849-E853 PolarHBondContact O-N 3.03Å; H850-E853 IonicContact CD2-OE2 2.89Å; E853-E856 PolarHBondContact O-N 2.93Å; E853-L857 VanDerWaalsContact O-CB 3.3Å; E853-L857 WeakPolarHBondContact O-CB 3.25Å; E853-L857 PolarHBondContact O-N 3.34Å
854A92.5Very high89.9Confident15 Ų1554.5 Ų54.512%0.12429%0.286CS..Hα-helixtrans-65.7-43.1178.600000113F798 L837 H850 E852 E856 L857 V858F798-A854 HydrophobicContact CE1-CB 4.21Å; F798-A854 HydrophobicContact CZ-CB 4.12Å; L837-A854 HydrophobicContact CD2-CB 3.6Å; H850-A854 WeakPolarHBondContact O-CB 3.45Å; H850-A854 PolarHBondContact O-N 3.46Å; E852-A854 PolarHBondContact O-N 2.99Å; A854-E856 VanDerWaalsContact C-N 3.32Å; A854-E856 PolarHBondContact O-N 2.7Å; A854-L857 PolarHBondContact O-N 3.06Å; A854-V858 WeakPolarHBondContact O-CB 3.26Å; A854-V858 WeakPolarHBondContact O-CG2 3.48Å; A854-V858 PolarHBondContact O-N 2.9Å
855V90.8Very high90Very high8 Ų851.7 Ų51.75%0.04827%0.271CS..Hα-helixtrans-64.2-38.5178169.40000111.2L687 F712 I777 F798 L851 E852 C859L687-V855 HydrophobicContact CD1-CG2 4.35Å; L687-V855 HydrophobicContact CD2-CG2 4.28Å; F712-V855 HydrophobicContact CE1-CG1 4.35Å; F712-V855 HydrophobicContact CZ-CG1 4.2Å; I777-V855 HydrophobicContact CD1-CG1 3.96Å; F798-V855 HydrophobicContact CD1-CG2 4Å; F798-V855 HydrophobicContact CE1-CG2 4.03Å; L851-V855 HydrophobicContact CD1-CG2 4.26Å; L851-V855 VanDerWaalsContact O-CG2 3.31Å; L851-V855 WeakPolarHBondContact O-CG2 3.17Å; L851-V855 PolarHBondContact O-N 3.34Å; E852-V855 PolarHBondContact O-N 3.39Å; V855-C859 PolarHBondContact O-N 3.49Å; V855-C859 PolarHBondContact O-SG 3.48Å
856E87.4Confident90Very high111 Ų11145.8 Ų45.852%0.51924%0.24SC..Hα-helixtrans-70.4-45.8177.1-173.3165163.500112.4E852 E853 A854 V858 C859 T860E852-E856 PolarHBondContact O-N 2.86Å; E852-E856 VanDerWaalsContact O-N 3.12Å; E853-E856 PolarHBondContact O-N 2.93Å; A854-E856 VanDerWaalsContact C-N 3.32Å; A854-E856 PolarHBondContact O-N 2.7Å; E856-V858 VanDerWaalsContact C-N 3.34Å; E856-V858 PolarHBondContact O-N 3.05Å; E856-C859 PolarHBondContact O-N 3.09Å; E856-T860 WeakPolarHBondContact O-CG2 2.8Å; E856-T860 PolarHBondContact O-N 3.4Å; E856-T860 PolarHBondContact O-OG1 3.13Å
857L88.6Confident89.7Confident109 Ų10942.9 Ų42.957%0.57123%0.228SC*.Hα-helixtrans-58.7-45175.5-179.466000111.5E853 A854 C859 T860 A861E853-L857 VanDerWaalsContact O-CB 3.3Å; E853-L857 WeakPolarHBondContact O-CB 3.25Å; E853-L857 PolarHBondContact O-N 3.34Å; A854-L857 PolarHBondContact O-N 3.06Å; L857-C859 VanDerWaalsContact C-N 3.34Å; L857-C859 PolarHBondContact O-N 3.29Å; L857-T860 PolarHBondContact O-N 2.62Å; L857-T860 PolarHBondContact O-OG1 3.32Å; L857-A861 HydrophobicContact CD1-CB 3.93Å; L857-A861 HydrophobicContact CG-CB 4.36Å; L857-A861 WeakPolarHBondContact O-CB 3.35Å; L857-A861 PolarHBondContact O-N 3.22Å
858V85.6Confident89.2Confident24 Ų2446.9 Ų46.915%0.14526%0.256CS..Hα-helixtrans-62.6-40.9178.41680000111.1R684 F798 A854 E856 T860 Q863R684-V858 HydrophobicContact CG-CG1 3.64Å; F798-V858 HydrophobicContact CD2-CG1 4.35Å; F798-V858 HydrophobicContact CD2-CG2 4.21Å; F798-V858 HydrophobicContact CE2-CG2 3.69Å; F798-V858 HydrophobicContact CZ-CG2 3.87Å; A854-V858 WeakPolarHBondContact O-CB 3.26Å; A854-V858 WeakPolarHBondContact O-CG2 3.48Å; A854-V858 PolarHBondContact O-N 2.9Å; E856-V858 VanDerWaalsContact C-N 3.34Å; E856-V858 PolarHBondContact O-N 3.05Å; V858-T860 PolarHBondContact O-N 2.84Å; V858-Q863 HydrophobicContact CG1-CG 4.4Å; V858-Q863 PolarHBondContact O-NE2 2.89Å
859C78.9Confident88.9Confident45 Ų4547.6 Ų47.630%0.30426%0.258SS..Hα-helixtrans-69.6-17.4177.8-67.40000114.4V855 E856 L857V855-C859 PolarHBondContact O-N 3.49Å; V855-C859 PolarHBondContact O-SG 3.48Å; E856-C859 PolarHBondContact O-N 3.09Å; L857-C859 VanDerWaalsContact C-N 3.34Å; L857-C859 PolarHBondContact O-N 3.29Å
860T82.9Confident88.3Confident97 Ų9746 Ų4660%0.59526%0.259SS*.Hα-helixtrans-116.2-24.2-170.953.30000114.8E856 L857 V858E856-T860 WeakPolarHBondContact O-CG2 2.8Å; E856-T860 PolarHBondContact O-N 3.4Å; E856-T860 PolarHBondContact O-OG1 3.13Å; L857-T860 PolarHBondContact O-N 2.62Å; L857-T860 PolarHBondContact O-OG1 3.32Å; V858-T860 PolarHBondContact O-N 2.84Å
861A86.6Confident86.9Confident30 Ų3051.9 Ų51.925%0.24828%0.28CS..SBendtrans-96.4157.1-17800000113.3L857 Q863L857-A861 HydrophobicContact CD1-CB 3.93Å; L857-A861 HydrophobicContact CG-CB 4.36Å; L857-A861 WeakPolarHBondContact O-CB 3.35Å; L857-A861 PolarHBondContact O-N 3.22Å; A861-Q863 PolarHBondContact O-N 2.97Å
862P88.3Confident86.5Confident85 Ų8554.5 Ų54.555%0.55229%0.294SS*.  trans-62120.7174.5-24.535.1000112.7L679L679-P862 CarbonylContact O-C 3.58Å; L679-P862 WeakPolarHBondContact O-CA 3.47Å
863Q88.4Confident86.2Confident16 Ų1655.8 Ų55.88%0.07530%0.302CS..EExtended strand (participates in β ladder)trans-104.8146.3-177.4-80.3176.870.700112.4K678 L679 F682 V858 A861 V865K678-Q863 CarbonylContact C-O 3.25Å; K678-Q863 WeakPolarHBondContact CA-O 3.42Å; L679-Q863 PolarHBondContact N-O 3.48Å; L679-Q863 PolarHBondContact O-N 2.71Å; F682-Q863 PolarHBondContact O-NE2 3.33Å; V858-Q863 HydrophobicContact CG1-CG 4.4Å; V858-Q863 PolarHBondContact O-NE2 2.89Å; A861-Q863 PolarHBondContact O-N 2.97Å; Q863-V865 HydrophobicContact CB-CG1 4Å
864W90.4Very high85.8Confident38 Ų3853.6 Ų53.614%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-85.7115157.6-67.6102.6000109.6Y561 R563 I590 E607 V676 V677 K678Y561-W864 AromaticContact CD1-CH2 3.44Å; Y561-W864 HydrophobicContact CD1-CH2 3.44Å; Y561-W864 VanDerWaalsContact CD1-CH2 3.44Å; Y561-W864 HydrophobicContact CD1-CZ2 4.28Å; Y561-W864 AromaticContact CD1-CZ3 3.95Å; Y561-W864 HydrophobicContact CD1-CZ3 3.95Å; Y561-W864 HydrophobicContact CD2-CH2 4.01Å; Y561-W864 HydrophobicContact CD2-CZ3 4.09Å; Y561-W864 AromaticContact CE1-CH2 3.75Å; Y561-W864 HydrophobicContact CE1-CH2 3.75Å; Y561-W864 HydrophobicContact CE1-CZ2 4.43Å; Y561-W864 HydrophobicContact CE2-CH2 4.3Å; Y561-W864 AromaticContact CG-CH2 3.56Å; Y561-W864 HydrophobicContact CG-CH2 3.56Å; Y561-W864 AromaticContact CG-CZ3 3.62Å; Y561-W864 HydrophobicContact CG-CZ3 3.62Å; R563-W864 PolarHBondContact NH2-O 3.29Å; I590-W864 HydrophobicContact CD1-CB 4.21Å; I590-W864 HydrophobicContact CD1-CG 4.11Å; I590-W864 HydrophobicContact CG1-CD2 4.33Å; I590-W864 HydrophobicContact CG1-CG 4.03Å; I590-W864 HydrophobicContact CG2-CD2 4.02Å; I590-W864 HydrophobicContact CG2-CE3 4.26Å; I590-W864 HydrophobicContact CG2-CH2 4.12Å; I590-W864 HydrophobicContact CG2-CZ2 3.86Å; I590-W864 HydrophobicContact CG2-CZ3 4.31Å; E607-W864 HydrophobicContact CG-CZ2 4.14Å; V676-W864 HydrophobicContact CB-CB 4.42Å; V676-W864 HydrophobicContact CB-CE3 4.15Å; V676-W864 HydrophobicContact CG2-CD2 4.39Å; V676-W864 HydrophobicContact CG2-CE3 3.69Å; V676-W864 HydrophobicContact CG2-CZ3 4.28Å; V677-W864 WeakPolarHBondContact O-CA 3.38Å; K678-W864 HydrophobicContact CB-CD2 3.94Å; K678-W864 HydrophobicContact CB-CE3 3.75Å; K678-W864 HydrophobicContact CB-CH2 3.86Å; K678-W864 HydrophobicContact CB-CZ2 4.03Å; K678-W864 HydrophobicContact CB-CZ3 3.72Å; K678-W864 HydrophobicContact CD-CD2 4.47Å; K678-W864 HydrophobicContact CD-CH2 4.17Å; K678-W864 HydrophobicContact CD-CZ2 3.63Å; K678-W864 HydrophobicContact CG-CD2 4Å; K678-W864 HydrophobicContact CG-CE3 4.34Å; K678-W864 HydrophobicContact CG-CH2 4.4Å; K678-W864 HydrophobicContact CG-CZ2 4.05Å
865V89.9Confident85.4Confident0 Ų055.8 Ų55.80%030%0.304CS..EExtended strand (participates in β ladder)trans-118152.7178.1-60.10000110.5V676 V677 L679 F682 Q863 W869 V870V676-V865 CarbonylContact C-O 3.55Å; V676-V865 WeakPolarHBondContact CA-O 3.48Å; V676-V865 WeakPolarHBondContact CB-O 3.49Å; V677-V865 HydrophobicContact CG1-CG2 3.9Å; V677-V865 PolarHBondContact N-O 3.48Å; V677-V865 PolarHBondContact O-N 2.94Å; L679-V865 HydrophobicContact CD1-CG2 3.7Å; L679-V865 HydrophobicContact CG-CG2 3.92Å; F682-V865 HydrophobicContact CB-CG1 4.2Å; F682-V865 HydrophobicContact CD1-CG1 3.61Å; F682-V865 HydrophobicContact CD2-CG1 4.33Å; F682-V865 HydrophobicContact CE1-CG1 3.97Å; F682-V865 HydrophobicContact CG-CG1 3.8Å; F682-V865 HydrophobicContact CZ-CG1 4.47Å; Q863-V865 HydrophobicContact CB-CG1 4Å; V865-W869 HydrophobicContact CB-CE3 4.48Å; V865-V870 HydrophobicContact CG2-CG2 3.7Å
866P90.8Very high85.1Confident2 Ų258.8 Ų58.81%0.01332%0.32CS..EExtended strand (participates in β ladder)trans-55.5139.6175-23.434.7000111.5E674 E675 S868 W869E674-P866 HydrophobicContact CG-CB 4.19Å; E674-P866 HydrophobicContact CG-CG 4.25Å; E675-P866 CarbonylContact O-C 3.59Å; E675-P866 WeakPolarHBondContact O-CA 3.49Å; P866-S868 PolarHBondContact O-N 2.96Å; P866-W869 HydrophobicContact CB-CD2 4.36Å; P866-W869 HydrophobicContact CB-CG 4.07Å; P866-W869 HydrophobicContact CG-CD2 3.87Å; P866-W869 HydrophobicContact CG-CE3 4.34Å; P866-W869 HydrophobicContact CG-CG 4.12Å; P866-W869 HydrophobicContact CG-CZ2 4.2Å; P866-W869 WeakPolarHBondContact O-CB 3.26Å; P866-W869 PolarHBondContact O-N 3.29Å
867V87.2Confident84.9Confident26 Ų2655.3 Ų55.316%0.15831%0.306CS..G310 helixtrans-57.9-37.9177.5167.10000110.9E675 V677 W869 V870 Y871E675-V867 HydrophobicContact CB-CB 4.47Å; E675-V867 HydrophobicContact CB-CG2 4.18Å; E675-V867 HydrophobicContact CG-CG2 3.84Å; E675-V867 PolarHBondContact O-N 2.92Å; V677-V867 HydrophobicContact CB-CG2 4.28Å; V867-W869 PolarHBondContact O-N 3.1Å; V867-W869 VanDerWaalsContact O-N 3.11Å; V867-V870 PolarHBondContact O-N 3.45Å; V867-Y871 HydrophobicContact CG1-CD2 3.83Å; V867-Y871 HydrophobicContact CG1-CG 4.44Å; V867-Y871 PolarHBondContact O-N 3.46Å
868S83.3Confident84.7Confident85 Ų8551.5 Ų51.559%0.59429%0.287SS*.G310 helixtrans-67.7-0.2175.156.80000115.4P866P866-S868 PolarHBondContact O-N 2.96Å
869W87.4Confident84.6Confident21 Ų2153.6 Ų53.68%0.0830%0.298CS..G310 helixtrans-97.9-0.2169-67.610.7000112.6F682 R791 A793 A796 P797 V865 P866 V867F682-W869 AromaticContact CE1-CE3 3.77Å; F682-W869 HydrophobicContact CE1-CE3 3.77Å; F682-W869 HydrophobicContact CE1-CZ3 4.06Å; F682-W869 HydrophobicContact CZ-CB 4.46Å; F682-W869 AromaticContact CZ-CE3 3.73Å; F682-W869 HydrophobicContact CZ-CE3 3.73Å; F682-W869 HydrophobicContact CZ-CZ3 4.45Å; R791-W869 HydrophobicContact CB-CZ2 4.48Å; R791-W869 PolarHBondContact O-NE1 2.78Å; A793-W869 HydrophobicContact CB-CB 4.39Å; A796-W869 HydrophobicContact CB-CE3 4.48Å; A796-W869 HydrophobicContact CB-CZ3 4.44Å; P797-W869 HydrophobicContact CG-CH2 4.17Å; P797-W869 HydrophobicContact CG-CZ2 4.38Å; V865-W869 HydrophobicContact CB-CE3 4.48Å; P866-W869 HydrophobicContact CB-CD2 4.36Å; P866-W869 HydrophobicContact CB-CG 4.07Å; P866-W869 HydrophobicContact CG-CD2 3.87Å; P866-W869 HydrophobicContact CG-CE3 4.34Å; P866-W869 HydrophobicContact CG-CG 4.12Å; P866-W869 HydrophobicContact CG-CZ2 4.2Å; P866-W869 WeakPolarHBondContact O-CB 3.26Å; P866-W869 PolarHBondContact O-N 3.29Å; V867-W869 PolarHBondContact O-N 3.1Å; V867-W869 VanDerWaalsContact O-N 3.11Å
870V80.9Confident85.1Confident60 Ų6054.3 Ų54.336%0.36430%0.298SS..THydrogen-bonded Turntrans-134.2-30.5-171.5-171.50000112.4V677 L679 V865 V867V677-V870 HydrophobicContact CG1-CB 4.31Å; V677-V870 HydrophobicContact CG1-CG2 3.82Å; L679-V870 HydrophobicContact CD1-CG2 3.9Å; V865-V870 HydrophobicContact CG2-CG2 3.7Å; V867-V870 PolarHBondContact O-N 3.45Å
871Y65Low85.3Confident192 Ų19250.5 Ų50.575%0.75327%0.271SS*.  trans-128.80179.4-57.7-92.8000110.6V867V867-Y871 HydrophobicContact CG1-CD2 3.83Å; V867-Y871 HydrophobicContact CG1-CG 4.44Å; V867-Y871 PolarHBondContact O-N 3.46Å

Retrieved 871 of 871 residues in 1107.1 ms (Link to these results)

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